| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
O |
224 |
56 |
9979 |
◊ |
M |
x,y,z |
1_555 |
275 |
77 |
18376 |
2504.0 |
-38.1 |
0.016 |
19 |
7 |
0 |
1.000 |
2 |
|
I |
223 |
57 |
9960 |
◊ |
G |
x,y,z |
1_555 |
278 |
77 |
18302 |
2485.9 |
-38.1 |
0.015 |
24 |
8 |
0 |
1.000 |
3 |
|
C |
227 |
58 |
9976 |
◊ |
A |
x,y,z |
1_555 |
266 |
75 |
18556 |
2466.7 |
-35.7 |
0.029 |
26 |
6 |
0 |
1.000 |
4 |
|
F |
227 |
57 |
9979 |
◊ |
D |
x,y,z |
1_555 |
273 |
77 |
18433 |
2466.3 |
-37.6 |
0.014 |
27 |
7 |
0 |
1.000 |
5 |
|
X |
221 |
56 |
10019 |
◊ |
V |
x,y,z |
1_555 |
267 |
76 |
18614 |
2465.8 |
-37.3 |
0.015 |
24 |
6 |
0 |
1.000 |
6 |
|
R |
223 |
56 |
9990 |
◊ |
P |
x,y,z |
1_555 |
269 |
75 |
18260 |
2464.5 |
-37.4 |
0.017 |
22 |
6 |
0 |
1.000 |
7 |
|
U |
226 |
56 |
10045 |
◊ |
S |
x,y,z |
1_555 |
271 |
76 |
18413 |
2464.0 |
-38.8 |
0.010 |
22 |
6 |
0 |
1.000 |
8 |
|
L |
227 |
56 |
9985 |
◊ |
J |
x,y,z |
1_555 |
267 |
74 |
18280 |
2440.9 |
-38.4 |
0.014 |
19 |
4 |
0 |
1.000 |
| Average: |
2469.8 |
-37.7 |
0.016 |
23 |
6 |
0 |
1.000 |
| 2 |
9 |
|
L |
179 |
40 |
9985 |
◊ |
K |
x,y,z |
1_555 |
206 |
53 |
22037 |
1830.7 |
-18.5 |
0.114 |
28 |
7 |
0 |
0.758 |
10 |
|
R |
171 |
38 |
9990 |
◊ |
Q |
x,y,z |
1_555 |
202 |
54 |
22037 |
1826.4 |
-20.8 |
0.101 |
28 |
10 |
0 |
0.758 |
11 |
|
F |
172 |
38 |
9979 |
◊ |
E |
x,y,z |
1_555 |
204 |
55 |
22120 |
1820.9 |
-17.8 |
0.116 |
35 |
10 |
0 |
0.758 |
12 |
|
X |
175 |
37 |
10019 |
◊ |
W |
x,y,z |
1_555 |
207 |
56 |
21916 |
1819.4 |
-19.9 |
0.088 |
32 |
9 |
0 |
0.758 |
13 |
|
I |
177 |
38 |
9960 |
◊ |
H |
x,y,z |
1_555 |
197 |
55 |
21948 |
1810.3 |
-19.3 |
0.072 |
31 |
6 |
0 |
0.758 |
14 |
|
U |
175 |
40 |
10045 |
◊ |
T |
x,y,z |
1_555 |
200 |
54 |
22019 |
1804.0 |
-18.5 |
0.113 |
32 |
9 |
0 |
0.758 |
15 |
|
C |
171 |
35 |
9976 |
◊ |
B |
x,y,z |
1_555 |
195 |
55 |
22051 |
1796.7 |
-19.9 |
0.083 |
33 |
10 |
0 |
0.758 |
16 |
|
O |
178 |
38 |
9979 |
◊ |
N |
x,y,z |
1_555 |
200 |
54 |
22043 |
1787.9 |
-19.2 |
0.089 |
31 |
8 |
0 |
0.758 |
| Average: |
1812.0 |
-19.2 |
0.097 |
31 |
9 |
0 |
0.758 |
| 3 |
17 |
|
B |
135 |
37 |
22051 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
18556 |
1299.5 |
-12.1 |
0.090 |
17 |
2 |
0 |
0.648 |
18 |
|
W |
135 |
35 |
21916 |
◊ |
V |
x,y,z |
1_555 |
154 |
43 |
18614 |
1295.4 |
-13.6 |
0.069 |
16 |
1 |
0 |
0.648 |
19 |
|
K |
140 |
34 |
22037 |
◊ |
J |
x,y,z |
1_555 |
150 |
41 |
18280 |
1290.7 |
-11.7 |
0.098 |
15 |
2 |
0 |
0.648 |
20 |
|
E |
137 |
36 |
22120 |
◊ |
D |
x,y,z |
1_555 |
151 |
41 |
18433 |
1290.0 |
-12.1 |
0.090 |
15 |
2 |
0 |
0.648 |
21 |
|
T |
138 |
36 |
22019 |
◊ |
S |
x,y,z |
1_555 |
141 |
41 |
18413 |
1288.7 |
-12.6 |
0.084 |
16 |
1 |
0 |
0.648 |
22 |
|
H |
135 |
34 |
21948 |
◊ |
G |
x,y,z |
1_555 |
147 |
39 |
18302 |
1283.5 |
-12.5 |
0.086 |
16 |
2 |
0 |
0.648 |
23 |
|
Q |
133 |
34 |
22037 |
◊ |
P |
x,y,z |
1_555 |
149 |
41 |
18260 |
1279.6 |
-13.7 |
0.062 |
13 |
1 |
0 |
0.648 |
24 |
|
N |
132 |
34 |
22043 |
◊ |
M |
x,y,z |
1_555 |
148 |
40 |
18376 |
1279.4 |
-11.7 |
0.096 |
14 |
2 |
0 |
0.648 |
| Average: |
1288.4 |
-12.5 |
0.084 |
15 |
2 |
0 |
0.648 |
| 4 |
25 |
|
H |
69 |
25 |
21948 |
◊ |
J |
x,y,z-1 |
1_554 |
84 |
26 |
18280 |
675.1 |
1.4 |
0.698 |
4 |
6 |
0 |
0.000 |
26 |
|
N |
68 |
23 |
22043 |
◊ |
P |
x,y,z |
1_555 |
90 |
29 |
18260 |
665.6 |
2.3 |
0.743 |
5 |
7 |
0 |
0.000 |
27 |
|
E |
69 |
22 |
22120 |
◊ |
A |
x,y,z |
1_555 |
79 |
27 |
18556 |
656.2 |
1.0 |
0.663 |
4 |
6 |
0 |
0.000 |
28 |
|
T |
72 |
24 |
22019 |
◊ |
V |
x,y,z |
1_555 |
84 |
27 |
18614 |
633.4 |
1.3 |
0.691 |
6 |
5 |
0 |
0.000 |
29 |
|
M |
73 |
24 |
18376 |
◊ |
Q |
x,y,z-1 |
1_554 |
67 |
23 |
22037 |
600.0 |
0.8 |
0.656 |
3 |
7 |
0 |
0.000 |
30 |
|
K |
69 |
22 |
22037 |
◊ |
G |
x,y,z |
1_555 |
81 |
28 |
18302 |
599.3 |
0.9 |
0.671 |
1 |
5 |
0 |
0.000 |
31 |
|
D |
66 |
25 |
18433 |
◊ |
B |
x,y,z-1 |
1_554 |
64 |
22 |
22051 |
556.3 |
1.4 |
0.669 |
4 |
6 |
0 |
0.000 |
32 |
|
W |
59 |
22 |
21916 |
◊ |
S |
x,y,z-1 |
1_554 |
64 |
23 |
18413 |
522.9 |
0.5 |
0.632 |
5 |
8 |
0 |
0.000 |
| Average: |
613.6 |
1.2 |
0.678 |
4 |
6 |
0 |
0.000 |
| 5 |
33 |
|
K |
47 |
12 |
22037 |
◊ |
A |
x-1,y,z |
1_455 |
44 |
16 |
18556 |
393.7 |
2.2 |
0.755 |
4 |
6 |
0 |
0.000 |
34 |
|
V |
40 |
15 |
18614 |
◊ |
Q |
x,y,z-1 |
1_554 |
48 |
12 |
22037 |
379.5 |
2.1 |
0.745 |
4 |
6 |
0 |
0.000 |
35 |
|
M |
34 |
13 |
18376 |
◊ |
T |
x-1,y,z |
1_455 |
49 |
11 |
22019 |
374.4 |
2.7 |
0.793 |
7 |
5 |
0 |
0.000 |
36 |
|
N |
45 |
11 |
22043 |
◊ |
S |
x-1,y,z |
1_455 |
41 |
15 |
18413 |
371.4 |
1.4 |
0.665 |
5 |
3 |
0 |
0.000 |
37 |
|
H |
48 |
12 |
21948 |
◊ |
D |
x,y,z |
1_555 |
41 |
17 |
18433 |
368.7 |
2.1 |
0.748 |
5 |
4 |
0 |
0.000 |
38 |
|
E |
50 |
12 |
22120 |
◊ |
G |
x,y,z |
1_555 |
39 |
15 |
18302 |
367.0 |
2.2 |
0.723 |
5 |
6 |
0 |
0.000 |
39 |
|
W |
49 |
12 |
21916 |
◊ |
P |
x,y,z-1 |
1_554 |
37 |
14 |
18260 |
366.0 |
1.3 |
0.688 |
6 |
6 |
0 |
0.000 |
40 |
|
J |
40 |
15 |
18280 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
13 |
22051 |
363.1 |
1.5 |
0.703 |
5 |
6 |
0 |
0.000 |
| Average: |
373.0 |
1.9 |
0.728 |
5 |
5 |
0 |
0.000 |
| 6 |
41 |
|
[ATP]N:479 |
29 |
1 |
599 |
f |
N |
x,y,z |
1_555 |
41 |
18 |
22043 |
333.5 |
1.0 |
0.642 |
8 |
0 |
0 |
0.075 |
42 |
|
[ATP]E:479 |
29 |
1 |
601 |
f |
E |
x,y,z |
1_555 |
44 |
18 |
22120 |
307.5 |
0.8 |
0.634 |
6 |
0 |
0 |
0.075 |
43 |
|
[ATP]Q:479 |
27 |
1 |
587 |
f |
Q |
x,y,z |
1_555 |
42 |
16 |
22037 |
301.6 |
2.8 |
0.754 |
9 |
0 |
0 |
0.075 |
| Average: |
314.2 |
1.5 |
0.676 |
8 |
0 |
0 |
0.075 |
| 7 |
44 |
|
[ATP]K:479 |
27 |
1 |
602 |
f |
K |
x,y,z |
1_555 |
45 |
18 |
22037 |
324.5 |
2.5 |
0.745 |
6 |
0 |
0 |
0.020 |
45 |
|
[ATP]H:479 |
26 |
1 |
588 |
f |
H |
x,y,z |
1_555 |
45 |
17 |
21948 |
313.2 |
1.6 |
0.696 |
5 |
0 |
0 |
0.020 |
46 |
|
[ATP]W:479 |
28 |
1 |
581 |
f |
W |
x,y,z |
1_555 |
43 |
17 |
21916 |
302.4 |
3.3 |
0.762 |
7 |
0 |
0 |
0.020 |
| Average: |
313.4 |
2.5 |
0.735 |
6 |
0 |
0 |
0.020 |
| 8 |
47 |
|
W |
34 |
11 |
21916 |
◊ |
R |
x,y,z-1 |
1_554 |
26 |
8 |
9990 |
303.5 |
3.0 |
0.868 |
4 |
2 |
0 |
0.000 |
48 |
|
L |
27 |
8 |
9985 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
11 |
22051 |
292.6 |
3.3 |
0.879 |
4 |
2 |
0 |
0.000 |
49 |
|
K |
33 |
11 |
22037 |
◊ |
C |
x-1,y,z |
1_455 |
26 |
9 |
9976 |
275.6 |
2.0 |
0.821 |
4 |
2 |
0 |
0.000 |
50 |
|
X |
26 |
7 |
10019 |
◊ |
Q |
x,y,z-1 |
1_554 |
35 |
12 |
22037 |
274.4 |
1.8 |
0.804 |
2 |
1 |
0 |
0.000 |
51 |
|
O |
22 |
7 |
9979 |
◊ |
T |
x-1,y,z |
1_455 |
36 |
12 |
22019 |
272.3 |
1.9 |
0.803 |
4 |
2 |
0 |
0.000 |
52 |
|
I |
22 |
7 |
9960 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
22120 |
271.7 |
2.0 |
0.810 |
4 |
1 |
0 |
0.000 |
53 |
|
F |
23 |
7 |
9979 |
◊ |
H |
x,y,z |
1_555 |
31 |
10 |
21948 |
267.4 |
1.8 |
0.804 |
3 |
1 |
0 |
0.000 |
54 |
|
N |
35 |
11 |
22043 |
◊ |
U |
x-1,y,z |
1_455 |
21 |
7 |
10045 |
265.6 |
2.0 |
0.803 |
3 |
2 |
0 |
0.000 |
| Average: |
277.9 |
2.2 |
0.824 |
4 |
2 |
0 |
0.000 |
| 9 |
55 |
|
[ADP]T:479 |
26 |
1 |
540 |
f |
T |
x,y,z |
1_555 |
49 |
17 |
22019 |
299.1 |
-1.6 |
0.642 |
5 |
0 |
0 |
0.108 |
| 10 |
56 |
|
[ADP]B:479 |
24 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
42 |
15 |
22051 |
298.8 |
0.2 |
0.674 |
5 |
0 |
0 |
0.062 |
| 11 |
57 |
|
M |
25 |
11 |
18376 |
◊ |
X |
x-1,y,z |
1_455 |
27 |
7 |
10019 |
222.3 |
4.2 |
0.932 |
3 |
2 |
0 |
0.000 |
58 |
|
D |
29 |
10 |
18433 |
◊ |
L |
x,y,z-1 |
1_554 |
28 |
7 |
9985 |
213.1 |
4.2 |
0.929 |
2 |
3 |
0 |
0.000 |
59 |
|
C |
27 |
6 |
9976 |
◊ |
G |
x,y,z |
1_555 |
21 |
10 |
18302 |
206.0 |
3.9 |
0.932 |
3 |
2 |
0 |
0.000 |
60 |
|
R |
23 |
7 |
9990 |
◊ |
S |
x-1,y,z |
1_455 |
25 |
9 |
18413 |
202.5 |
4.1 |
0.934 |
3 |
2 |
0 |
0.000 |
61 |
|
O |
24 |
7 |
9979 |
◊ |
V |
x,y,z |
1_555 |
22 |
10 |
18614 |
196.2 |
4.3 |
0.933 |
3 |
2 |
0 |
0.000 |
62 |
|
I |
23 |
7 |
9960 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
9 |
18556 |
193.9 |
3.8 |
0.920 |
4 |
2 |
0 |
0.000 |
63 |
|
U |
23 |
7 |
10045 |
◊ |
P |
x,y,z |
1_555 |
24 |
10 |
18260 |
192.7 |
4.2 |
0.931 |
4 |
2 |
0 |
0.000 |
64 |
|
J |
20 |
9 |
18280 |
◊ |
F |
x-1,y,z+1 |
1_456 |
24 |
7 |
9979 |
191.3 |
3.3 |
0.905 |
4 |
2 |
0 |
0.000 |
| Average: |
202.3 |
4.0 |
0.927 |
3 |
2 |
0 |
0.000 |
| 12 |
65 |
|
B |
18 |
6 |
22051 |
◊ |
W |
x,y-1,z+1 |
1_546 |
20 |
7 |
21916 |
172.7 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.000 |
66 |
|
W |
18 |
7 |
21916 |
◊ |
B |
x,y,z-1 |
1_554 |
18 |
7 |
22051 |
156.8 |
-0.2 |
0.553 |
1 |
0 |
0 |
0.000 |
| Average: |
164.8 |
-0.2 |
0.552 |
1 |
0 |
0 |
0.000 |
| 13 |
67 |
|
G |
19 |
7 |
18302 |
◊ |
P |
x,y-1,z |
1_545 |
19 |
4 |
18260 |
138.5 |
-0.2 |
0.572 |
1 |
0 |
0 |
0.000 |
68 |
|
M |
17 |
5 |
18376 |
◊ |
J |
x,y,z-1 |
1_554 |
19 |
5 |
18280 |
127.2 |
-0.3 |
0.543 |
2 |
0 |
0 |
0.000 |
| Average: |
132.9 |
-0.2 |
0.557 |
2 |
0 |
0 |
0.000 |
| 14 |
69 |
|
H |
16 |
6 |
21948 |
◊ |
Q |
x,y-1,z-1 |
1_544 |
20 |
9 |
22037 |
135.7 |
0.9 |
0.684 |
1 |
0 |
0 |
0.000 |
70 |
|
N |
16 |
7 |
22043 |
◊ |
K |
x,y,z |
1_555 |
18 |
8 |
22037 |
125.5 |
1.0 |
0.703 |
1 |
0 |
0 |
0.000 |
| Average: |
130.6 |
1.0 |
0.693 |
1 |
0 |
0 |
0.000 |
| 15 |
71 |
|
K |
14 |
3 |
22037 |
◊ |
P |
x,y-1,z |
1_545 |
14 |
3 |
18260 |
124.6 |
1.2 |
0.742 |
1 |
2 |
0 |
0.000 |
72 |
|
Q |
13 |
4 |
22037 |
◊ |
J |
x,y,z |
1_555 |
14 |
5 |
18280 |
112.1 |
1.0 |
0.712 |
1 |
1 |
0 |
0.000 |
| Average: |
118.3 |
1.1 |
0.727 |
1 |
2 |
0 |
0.000 |
| 16 |
73 |
|
H |
14 |
4 |
21948 |
◊ |
Q |
x,y,z-1 |
1_554 |
9 |
4 |
22037 |
99.2 |
0.8 |
0.672 |
2 |
0 |
0 |
0.000 |
74 |
|
K |
8 |
4 |
22037 |
◊ |
N |
x,y-1,z |
1_545 |
9 |
4 |
22043 |
94.3 |
1.1 |
0.745 |
2 |
0 |
0 |
0.000 |
| Average: |
96.7 |
0.9 |
0.708 |
2 |
0 |
0 |
0.000 |
| 17 |
75 |
|
[MN]K:480 |
1 |
1 |
123 |
f |
K |
x,y,z |
1_555 |
11 |
5 |
22037 |
70.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.190 |
76 |
|
[MN]W:480 |
1 |
1 |
123 |
f |
W |
x,y,z |
1_555 |
12 |
5 |
21916 |
69.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.190 |
77 |
|
[MN]Q:480 |
1 |
1 |
123 |
f |
Q |
x,y,z |
1_555 |
9 |
5 |
22037 |
69.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.190 |
78 |
|
[MN]B:480 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
22051 |
69.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.190 |
79 |
|
[MN]T:480 |
1 |
1 |
123 |
f |
T |
x,y,z |
1_555 |
9 |
5 |
22019 |
68.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.190 |
80 |
|
[MN]E:480 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
22120 |
68.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.190 |
81 |
|
[MN]N:480 |
1 |
1 |
123 |
f |
N |
x,y,z |
1_555 |
13 |
6 |
22043 |
67.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.190 |
82 |
|
[MN]H:480 |
1 |
1 |
123 |
cf |
H |
x,y,z |
1_555 |
7 |
6 |
21948 |
62.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
68.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.190 |
| 18 |
83 |
|
[MN]N:481 |
1 |
1 |
123 |
f |
N |
x,y,z |
1_555 |
16 |
5 |
22043 |
66.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.154 |
84 |
|
[MN]Q:481 |
1 |
1 |
123 |
f |
Q |
x,y,z |
1_555 |
10 |
4 |
22037 |
64.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.154 |
85 |
|
[MN]B:481 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
22051 |
62.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.154 |
86 |
|
[MN]K:481 |
1 |
1 |
123 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
22037 |
62.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.154 |
87 |
|
[MN]E:481 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
22120 |
61.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.154 |
88 |
|
[MN]W:481 |
1 |
1 |
123 |
f |
W |
x,y,z |
1_555 |
10 |
6 |
21916 |
58.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.154 |
89 |
|
[MN]H:481 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
21948 |
57.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.154 |
90 |
|
[MN]T:481 |
1 |
1 |
123 |
f |
T |
x,y,z |
1_555 |
6 |
3 |
22019 |
44.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
59.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.154 |
| 19 |
91 |
|
M |
6 |
3 |
18376 |
◊ |
W |
x-1,y,z |
1_455 |
4 |
2 |
21916 |
53.3 |
1.5 |
0.811 |
0 |
0 |
0 |
0.000 |
92 |
|
B |
6 |
2 |
22051 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
18302 |
50.5 |
1.3 |
0.784 |
0 |
0 |
0 |
0.000 |
93 |
|
H |
4 |
2 |
21948 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
18556 |
44.9 |
1.2 |
0.810 |
0 |
0 |
0 |
0.000 |
94 |
|
J |
4 |
3 |
18280 |
◊ |
E |
x-1,y,z+1 |
1_456 |
5 |
2 |
22120 |
44.8 |
1.3 |
0.806 |
0 |
0 |
0 |
0.000 |
95 |
|
T |
4 |
2 |
22019 |
◊ |
P |
x,y,z |
1_555 |
5 |
3 |
18260 |
40.3 |
1.2 |
0.788 |
0 |
0 |
0 |
0.000 |
96 |
|
N |
4 |
2 |
22043 |
◊ |
V |
x,y,z |
1_555 |
6 |
3 |
18614 |
37.7 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
97 |
|
D |
5 |
3 |
18433 |
◊ |
K |
x,y,z-1 |
1_554 |
2 |
1 |
22037 |
32.9 |
0.7 |
0.812 |
0 |
0 |
0 |
0.000 |
98 |
|
Q |
3 |
2 |
22037 |
◊ |
S |
x-1,y,z |
1_455 |
4 |
3 |
18413 |
32.7 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
42.1 |
1.1 |
0.794 |
0 |
0 |
0 |
0.000 |
| 20 |
99 |
|
I |
5 |
2 |
9960 |
◊ |
T |
x,y,z |
1_555 |
3 |
1 |
22019 |
41.5 |
0.7 |
0.808 |
0 |
0 |
0 |
0.000 |
100 |
|
O |
6 |
2 |
9979 |
◊ |
E |
x-1,y+1,z |
1_465 |
4 |
1 |
22120 |
41.2 |
0.7 |
0.787 |
0 |
0 |
0 |
0.000 |
| Average: |
41.4 |
0.7 |
0.798 |
0 |
0 |
0 |
0.000 |
| 21 |
101 |
|
[MN]T:481 |
1 |
1 |
123 |
f |
[ADP]T:479 |
x,y,z |
1_555 |
5 |
1 |
540 |
37.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.097 |
| 22 |
102 |
|
D |
7 |
2 |
18433 |
◊ |
W |
x,y-1,z |
1_545 |
3 |
2 |
21916 |
36.8 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
103 |
|
B |
2 |
1 |
22051 |
◊ |
S |
x,y,z |
1_555 |
5 |
1 |
18413 |
23.9 |
0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
| Average: |
30.3 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
| 23 |
104 |
|
[ATP]E:479 |
7 |
1 |
601 |
f |
[MN]E:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
33.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.055 |
105 |
|
[ATP]W:479 |
8 |
1 |
581 |
f |
[MN]W:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
32.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.055 |
106 |
|
[ATP]H:479 |
4 |
1 |
588 |
f |
[MN]H:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.055 |
107 |
|
[ATP]K:479 |
6 |
1 |
602 |
f |
[MN]K:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.055 |
108 |
|
[ATP]N:479 |
6 |
1 |
599 |
f |
[MN]N:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.055 |
109 |
|
[ATP]Q:479 |
3 |
1 |
587 |
f |
[MN]Q:481 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
26.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.055 |
| 24 |
110 |
|
[MN]B:481 |
1 |
1 |
123 |
f |
[ADP]B:479 |
x,y,z |
1_555 |
6 |
1 |
553 |
33.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 25 |
111 |
|
C |
1 |
1 |
9976 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
22120 |
20.5 |
0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
112 |
|
H |
2 |
1 |
21948 |
◊ |
L |
x,y,z-1 |
1_554 |
2 |
1 |
9985 |
20.2 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
113 |
|
R |
1 |
1 |
9990 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
22043 |
16.1 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
114 |
|
X |
2 |
1 |
10019 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
22019 |
15.9 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
115 |
|
F |
1 |
1 |
9979 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
22051 |
15.8 |
0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
116 |
|
W |
2 |
1 |
21916 |
◊ |
U |
x,y,z-1 |
1_554 |
1 |
1 |
10045 |
14.5 |
0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
117 |
|
O |
1 |
1 |
9979 |
◊ |
Q |
x,y,z-1 |
1_554 |
2 |
1 |
22037 |
8.7 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
| Average: |
16.0 |
0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
| 26 |
118 |
|
E |
1 |
1 |
22120 |
◊ |
T |
x,y-1,z |
1_545 |
3 |
1 |
22019 |
16.3 |
0.5 |
0.692 |
0 |
0 |
0 |
0.000 |
119 |
|
T |
1 |
1 |
22019 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
22120 |
15.6 |
0.4 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
15.9 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
| 27 |
120 |
|
[ZN]T:907 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
1 |
1 |
10045 |
2.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
121 |
|
[ZN]N:905 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
1 |
1 |
9979 |
1.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.100 |
122 |
|
[ZN]K:904 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
9985 |
1.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.100 |
123 |
|
[ZN]E:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
9979 |
0.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.100 |
124 |
|
[ZN]Q:906 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
1 |
1 |
9990 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
1.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 28 |
125 |
|
X |
1 |
1 |
10019 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9979 |
0.7 |
0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
| 29 |
126 |
|
V |
1 |
1 |
18614 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
18376 |
0.3 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|