| ## |
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 |
|
J |
883 |
228 |
71111 |
◊ |
I |
x,y,z |
1_555 |
827 |
206 |
55583 |
8423.2 |
-90.6 |
0.001 |
91 |
34 |
0 |
0.944 |
2 |
|
D |
886 |
229 |
77306 |
◊ |
C |
x,y,z |
1_555 |
831 |
207 |
55508 |
8408.1 |
-92.1 |
0.000 |
93 |
35 |
0 |
0.944 |
| Average: |
8415.6 |
-91.4 |
0.001 |
92 |
35 |
0 |
0.944 |
| 2 |
3 |
|
F |
386 |
107 |
24358 |
◊ |
D |
x,y,z |
1_555 |
374 |
109 |
77306 |
3546.5 |
-19.1 |
0.359 |
28 |
18 |
0 |
0.806 |
4 |
|
L |
393 |
109 |
24332 |
◊ |
J |
x,y,z |
1_555 |
384 |
111 |
71111 |
3530.1 |
-20.9 |
0.298 |
24 |
21 |
0 |
0.806 |
| Average: |
3538.3 |
-20.0 |
0.328 |
26 |
20 |
0 |
0.806 |
| 3 |
5 |
|
E |
229 |
61 |
7343 |
◊ |
D |
x,y,z |
1_555 |
234 |
61 |
77306 |
2307.5 |
-23.6 |
0.090 |
24 |
7 |
0 |
0.811 |
6 |
|
K |
229 |
61 |
7338 |
◊ |
J |
x,y,z |
1_555 |
234 |
60 |
71111 |
2294.9 |
-23.4 |
0.093 |
23 |
8 |
0 |
0.811 |
| Average: |
2301.2 |
-23.5 |
0.092 |
24 |
8 |
0 |
0.811 |
| 4 |
7 |
|
L |
232 |
63 |
24332 |
◊ |
I |
x,y,z |
1_555 |
242 |
66 |
55583 |
2175.0 |
-15.2 |
0.316 |
14 |
12 |
0 |
1.000 |
8 |
|
F |
228 |
63 |
24358 |
◊ |
C |
x,y,z |
1_555 |
228 |
64 |
55508 |
2067.5 |
-16.9 |
0.247 |
13 |
10 |
0 |
1.000 |
| Average: |
2121.2 |
-16.1 |
0.282 |
14 |
11 |
0 |
1.000 |
| 5 |
9 |
|
C |
223 |
61 |
55508 |
◊ |
A |
x,y,z |
1_555 |
218 |
61 |
13512 |
2011.1 |
-5.9 |
0.697 |
30 |
16 |
0 |
1.000 |
10 |
|
I |
223 |
61 |
55583 |
◊ |
G |
x,y,z |
1_555 |
216 |
58 |
13452 |
2009.0 |
-5.3 |
0.721 |
28 |
17 |
0 |
1.000 |
| Average: |
2010.1 |
-5.6 |
0.709 |
29 |
17 |
0 |
1.000 |
| 6 |
11 |
|
H |
192 |
53 |
13433 |
◊ |
G |
x,y,z |
1_555 |
172 |
49 |
13452 |
1862.6 |
-26.6 |
0.034 |
12 |
0 |
0 |
1.000 |
12 |
|
B |
197 |
53 |
13456 |
◊ |
A |
x,y,z |
1_555 |
176 |
49 |
13512 |
1858.8 |
-26.2 |
0.041 |
10 |
0 |
0 |
1.000 |
| Average: |
1860.7 |
-26.4 |
0.037 |
11 |
0 |
0 |
1.000 |
| 7 |
13 |
|
R |
143 |
18 |
7064 |
◊ |
L |
x,y,z |
1_555 |
153 |
39 |
24332 |
1402.3 |
-11.6 |
0.522 |
19 |
0 |
0 |
1.000 |
14 |
|
O |
143 |
18 |
7076 |
◊ |
F |
x,y,z |
1_555 |
154 |
39 |
24358 |
1399.5 |
-11.4 |
0.545 |
21 |
0 |
0 |
1.000 |
| Average: |
1400.9 |
-11.5 |
0.534 |
20 |
0 |
0 |
1.000 |
| 8 |
15 |
|
J |
135 |
37 |
71111 |
◊ |
D |
x,y,z |
1_555 |
135 |
36 |
77306 |
1267.8 |
-10.9 |
0.198 |
9 |
1 |
0 |
0.025 |
| 9 |
16 |
|
J |
128 |
37 |
71111 |
◊ |
H |
x,y,z |
1_555 |
137 |
39 |
13433 |
1237.5 |
-3.3 |
0.600 |
17 |
12 |
0 |
0.047 |
17 |
|
D |
124 |
37 |
77306 |
◊ |
B |
x,y,z |
1_555 |
133 |
38 |
13456 |
1227.8 |
-2.5 |
0.643 |
17 |
11 |
0 |
0.047 |
| Average: |
1232.6 |
-2.9 |
0.622 |
17 |
12 |
0 |
0.047 |
| 10 |
18 |
|
S |
128 |
24 |
5587 |
◊ |
R |
x,y,z |
1_555 |
132 |
25 |
7064 |
1129.7 |
-8.3 |
0.876 |
60 |
0 |
0 |
1.000 |
19 |
|
P |
126 |
24 |
5585 |
◊ |
O |
x,y,z |
1_555 |
128 |
25 |
7076 |
1127.9 |
-7.2 |
0.889 |
55 |
0 |
0 |
1.000 |
| Average: |
1128.8 |
-7.8 |
0.882 |
58 |
0 |
0 |
1.000 |
| 11 |
20 |
|
D |
66 |
22 |
77306 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
65 |
22 |
77306 |
674.9 |
-0.8 |
0.607 |
10 |
8 |
0 |
0.005 |
| 12 |
21 |
|
M |
60 |
18 |
9526 |
◊ |
C |
x,y,z |
1_555 |
52 |
17 |
55508 |
543.4 |
-3.2 |
0.410 |
8 |
0 |
0 |
0.067 |
22 |
|
N |
55 |
18 |
9524 |
◊ |
I |
x,y,z |
1_555 |
50 |
17 |
55583 |
528.8 |
-2.6 |
0.439 |
7 |
0 |
0 |
0.067 |
| Average: |
536.1 |
-2.9 |
0.425 |
8 |
0 |
0 |
0.067 |
| 13 |
23 |
|
P |
52 |
8 |
5585 |
◊ |
F |
x,y,z |
1_555 |
51 |
16 |
24358 |
487.2 |
-3.5 |
0.618 |
8 |
0 |
0 |
0.119 |
24 |
|
S |
53 |
8 |
5587 |
◊ |
L |
x,y,z |
1_555 |
46 |
15 |
24332 |
483.5 |
-3.4 |
0.635 |
6 |
0 |
0 |
0.119 |
| Average: |
485.4 |
-3.4 |
0.626 |
7 |
0 |
0 |
0.119 |
| 14 |
25 |
|
J |
35 |
12 |
71111 |
◊ |
H |
-y+1/2,x+1/2,z-1/4 |
3_554 |
41 |
14 |
13433 |
335.7 |
-1.7 |
0.452 |
5 |
3 |
0 |
0.000 |
26 |
|
B |
37 |
11 |
13456 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
31 |
10 |
77306 |
285.4 |
-1.5 |
0.389 |
4 |
3 |
0 |
0.000 |
| Average: |
310.5 |
-1.6 |
0.421 |
5 |
3 |
0 |
0.000 |
| 15 |
27 |
|
A |
31 |
7 |
13512 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
33 |
9 |
77306 |
272.8 |
1.5 |
0.774 |
3 |
1 |
0 |
0.000 |
| 16 |
28 |
|
I |
31 |
10 |
55583 |
◊ |
H |
x,y,z |
1_555 |
30 |
10 |
13433 |
249.1 |
0.9 |
0.763 |
4 |
5 |
0 |
0.033 |
29 |
|
C |
31 |
10 |
55508 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
13456 |
246.8 |
0.7 |
0.746 |
4 |
5 |
0 |
0.033 |
| Average: |
247.9 |
0.8 |
0.755 |
4 |
5 |
0 |
0.033 |
| 17 |
30 |
|
S |
24 |
3 |
5587 |
◊ |
N |
x,y,z |
1_555 |
21 |
6 |
9524 |
189.5 |
-3.7 |
0.242 |
1 |
0 |
0 |
0.042 |
31 |
|
P |
24 |
3 |
5585 |
◊ |
M |
x,y,z |
1_555 |
23 |
7 |
9526 |
186.3 |
-3.8 |
0.275 |
1 |
0 |
0 |
0.042 |
| Average: |
187.9 |
-3.7 |
0.258 |
1 |
0 |
0 |
0.042 |
| 18 |
32 |
|
N |
20 |
8 |
9524 |
◊ |
L |
x,y,z |
1_555 |
17 |
8 |
24332 |
162.2 |
-0.3 |
0.589 |
1 |
2 |
0 |
0.012 |
33 |
|
M |
20 |
9 |
9526 |
◊ |
F |
x,y,z |
1_555 |
18 |
9 |
24358 |
159.6 |
-0.5 |
0.567 |
1 |
2 |
0 |
0.012 |
| Average: |
160.9 |
-0.4 |
0.578 |
1 |
2 |
0 |
0.012 |
| 19 |
34 |
|
R |
17 |
4 |
7064 |
◊ |
N |
x,y,z |
1_555 |
12 |
5 |
9524 |
137.9 |
-2.9 |
0.471 |
1 |
0 |
0 |
0.046 |
35 |
|
O |
16 |
4 |
7076 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
9526 |
131.0 |
-3.7 |
0.396 |
2 |
0 |
0 |
0.046 |
| Average: |
134.4 |
-3.3 |
0.433 |
2 |
0 |
0 |
0.046 |
| 20 |
36 |
|
S |
17 |
2 |
5587 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
16 |
6 |
24332 |
125.6 |
0.4 |
0.719 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
I |
13 |
3 |
55583 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
13 |
3 |
55508 |
122.2 |
0.3 |
0.693 |
2 |
0 |
0 |
0.000 |
| 22 |
38 |
|
M |
13 |
5 |
9526 |
◊ |
M |
-y,-x,-z+1/2 |
8_555 |
12 |
5 |
9526 |
113.7 |
-1.5 |
0.341 |
2 |
0 |
0 |
0.002 |
| 23 |
39 |
|
K |
13 |
4 |
7338 |
◊ |
I |
x,y,z |
1_555 |
12 |
6 |
55583 |
108.8 |
-0.1 |
0.631 |
1 |
0 |
0 |
0.003 |
40 |
|
E |
13 |
4 |
7343 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
55508 |
107.0 |
-0.0 |
0.641 |
1 |
0 |
0 |
0.003 |
| Average: |
107.9 |
-0.1 |
0.636 |
1 |
0 |
0 |
0.003 |
| 24 |
41 |
|
D |
11 |
3 |
77306 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
13433 |
102.4 |
-3.4 |
0.089 |
0 |
0 |
0 |
0.010 |
42 |
|
J |
6 |
3 |
71111 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
13456 |
73.2 |
-2.5 |
0.052 |
0 |
0 |
0 |
0.010 |
| Average: |
87.8 |
-2.9 |
0.070 |
0 |
0 |
0 |
0.010 |
| 25 |
43 |
|
S |
11 |
1 |
5587 |
◊ |
R |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
1 |
7064 |
72.1 |
1.8 |
0.801 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
K |
3 |
1 |
7338 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
13433 |
61.6 |
-1.6 |
0.118 |
0 |
0 |
0 |
0.005 |
45 |
|
E |
3 |
1 |
7343 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13456 |
57.7 |
-1.4 |
0.138 |
0 |
0 |
0 |
0.005 |
| Average: |
59.7 |
-1.5 |
0.128 |
0 |
0 |
0 |
0.005 |
| 27 |
46 |
|
R |
10 |
1 |
7064 |
◊ |
R |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
1 |
7064 |
61.5 |
0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
O |
9 |
2 |
7076 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
77306 |
59.5 |
-1.6 |
0.480 |
2 |
0 |
0 |
0.018 |
48 |
|
R |
7 |
2 |
7064 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
71111 |
55.3 |
-1.6 |
0.438 |
2 |
0 |
0 |
0.018 |
| Average: |
57.4 |
-1.6 |
0.459 |
2 |
0 |
0 |
0.018 |
| 29 |
49 |
|
J |
7 |
2 |
71111 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
13452 |
52.1 |
0.9 |
0.704 |
0 |
0 |
0 |
0.000 |
50 |
|
D |
7 |
2 |
77306 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13512 |
50.4 |
0.8 |
0.676 |
0 |
0 |
0 |
0.000 |
| Average: |
51.3 |
0.9 |
0.690 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
[MG]J:2003 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
71111 |
49.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.199 |
52 |
|
[MG]D:2003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
77306 |
49.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.199 |
| Average: |
49.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.199 |
| 31 |
53 |
|
O |
3 |
1 |
7076 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
2 |
1 |
77306 |
27.0 |
-1.7 |
0.189 |
0 |
0 |
0 |
0.003 |
| 32 |
54 |
|
F |
4 |
3 |
24358 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
4 |
3 |
24358 |
21.2 |
1.3 |
0.875 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
P |
2 |
2 |
5585 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
77306 |
15.1 |
-0.7 |
0.459 |
0 |
0 |
0 |
0.005 |
56 |
|
S |
2 |
2 |
5587 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
71111 |
12.7 |
-0.6 |
0.469 |
0 |
0 |
0 |
0.005 |
| Average: |
13.9 |
-0.6 |
0.464 |
0 |
0 |
0 |
0.005 |
| 34 |
57 |
|
R |
2 |
1 |
7064 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
24332 |
13.2 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
D |
1 |
1 |
77306 |
x |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
77306 |
6.5 |
-0.2 |
0.353 |
0 |
0 |
0 |
0.000 |
|