| ## |
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 |
|
I |
98 |
14 |
3558 |
◊ |
F |
x,y,z |
1_555 |
131 |
37 |
10211 |
972.2 |
-1.5 |
0.741 |
23 |
0 |
0 |
0.113 |
2 |
|
N |
96 |
14 |
3561 |
◊ |
K |
x,y,z |
1_555 |
123 |
38 |
9901 |
931.9 |
-1.0 |
0.768 |
24 |
0 |
0 |
0.113 |
3 |
|
D |
95 |
14 |
3564 |
◊ |
A |
x,y,z |
1_555 |
121 |
38 |
10078 |
928.2 |
-3.2 |
0.676 |
21 |
0 |
0 |
0.113 |
| Average: |
944.1 |
-1.9 |
0.728 |
23 |
0 |
0 |
0.113 |
| 2 |
4 |
|
G |
79 |
10 |
3327 |
◊ |
F |
x,y,z |
1_555 |
94 |
29 |
10211 |
742.3 |
-9.2 |
0.478 |
19 |
0 |
0 |
0.310 |
5 |
|
L |
79 |
10 |
3327 |
◊ |
K |
x,y,z |
1_555 |
94 |
28 |
9901 |
727.5 |
-9.5 |
0.461 |
14 |
0 |
0 |
0.310 |
6 |
|
B |
78 |
10 |
3331 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
10078 |
721.3 |
-7.2 |
0.546 |
16 |
0 |
0 |
0.310 |
| Average: |
730.4 |
-8.6 |
0.495 |
16 |
0 |
0 |
0.310 |
| 3 |
7 |
|
D |
73 |
15 |
3564 |
◊ |
C |
x,y,z |
1_555 |
66 |
11 |
2760 |
595.8 |
-9.4 |
0.568 |
32 |
0 |
0 |
0.821 |
8 |
|
N |
71 |
15 |
3561 |
◊ |
M |
x,y,z |
1_555 |
66 |
11 |
2767 |
591.0 |
-10.1 |
0.551 |
33 |
0 |
0 |
0.821 |
9 |
|
I |
71 |
14 |
3558 |
◊ |
H |
x,y,z |
1_555 |
64 |
11 |
2757 |
589.9 |
-9.5 |
0.561 |
32 |
0 |
0 |
0.821 |
| Average: |
592.2 |
-9.7 |
0.560 |
32 |
0 |
0 |
0.821 |
| 4 |
10 |
|
O |
51 |
10 |
2469 |
◊ |
L |
x,y,z |
1_555 |
63 |
14 |
3327 |
519.9 |
-10.1 |
0.464 |
35 |
0 |
0 |
0.828 |
11 |
|
E |
50 |
10 |
2459 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
3331 |
509.6 |
-9.3 |
0.471 |
34 |
0 |
0 |
0.828 |
12 |
|
J |
51 |
10 |
2444 |
◊ |
G |
x,y,z |
1_555 |
57 |
13 |
3327 |
502.5 |
-9.5 |
0.476 |
32 |
0 |
0 |
0.828 |
| Average: |
510.6 |
-9.7 |
0.471 |
34 |
0 |
0 |
0.828 |
| 5 |
13 |
|
M |
49 |
9 |
2767 |
◊ |
K |
x,y,z |
1_555 |
69 |
22 |
9901 |
479.1 |
-5.0 |
0.602 |
11 |
0 |
0 |
0.087 |
14 |
|
H |
49 |
9 |
2757 |
◊ |
F |
x,y,z |
1_555 |
63 |
21 |
10211 |
477.1 |
-5.0 |
0.624 |
10 |
0 |
0 |
0.087 |
15 |
|
C |
44 |
9 |
2760 |
◊ |
A |
x,y,z |
1_555 |
61 |
21 |
10078 |
447.6 |
-3.9 |
0.624 |
10 |
0 |
0 |
0.087 |
| Average: |
467.9 |
-4.6 |
0.617 |
10 |
0 |
0 |
0.087 |
| 6 |
16 |
|
O |
29 |
5 |
2469 |
◊ |
K |
x,y,z |
1_555 |
43 |
16 |
9901 |
298.0 |
-2.0 |
0.562 |
6 |
0 |
0 |
0.109 |
17 |
|
J |
29 |
5 |
2444 |
◊ |
F |
x,y,z |
1_555 |
40 |
16 |
10211 |
287.9 |
-4.0 |
0.417 |
5 |
0 |
0 |
0.109 |
18 |
|
E |
28 |
5 |
2459 |
◊ |
A |
x,y,z |
1_555 |
39 |
17 |
10078 |
286.1 |
-2.7 |
0.523 |
4 |
0 |
0 |
0.109 |
| Average: |
290.7 |
-2.9 |
0.501 |
5 |
0 |
0 |
0.109 |
| 7 |
19 |
|
I |
31 |
5 |
3558 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
34 |
11 |
10078 |
272.5 |
-0.9 |
0.444 |
2 |
0 |
0 |
0.000 |
| 8 |
20 |
|
M |
34 |
4 |
2767 |
◊ |
F |
x,y,z |
1_555 |
34 |
8 |
10211 |
270.1 |
-1.1 |
0.645 |
3 |
0 |
0 |
0.000 |
| 9 |
21 |
|
C |
31 |
4 |
2760 |
◊ |
K |
x,y,z |
1_555 |
34 |
7 |
9901 |
267.1 |
-0.8 |
0.648 |
2 |
0 |
0 |
0.000 |
| 10 |
22 |
|
H |
31 |
6 |
2757 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
29 |
9 |
10078 |
245.4 |
-3.3 |
0.477 |
3 |
0 |
0 |
0.000 |
| 11 |
23 |
|
K |
22 |
8 |
9901 |
x |
K |
-x,y-1/2,-z |
2_545 |
28 |
8 |
9901 |
239.1 |
0.0 |
0.559 |
4 |
1 |
0 |
0.000 |
| 12 |
24 |
|
B |
28 |
5 |
3331 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
31 |
12 |
10211 |
233.9 |
-4.3 |
0.381 |
2 |
0 |
0 |
0.000 |
| 13 |
25 |
|
H |
26 |
4 |
2757 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
10078 |
223.4 |
-2.5 |
0.360 |
0 |
0 |
0 |
0.000 |
| 14 |
26 |
|
L |
21 |
2 |
3327 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
7 |
10078 |
219.5 |
2.6 |
0.792 |
2 |
0 |
0 |
0.000 |
| 15 |
27 |
|
I |
25 |
5 |
3558 |
◊ |
G |
x,y,z |
1_555 |
24 |
5 |
3327 |
207.5 |
-2.2 |
0.582 |
8 |
0 |
0 |
0.050 |
28 |
|
N |
25 |
5 |
3561 |
◊ |
L |
x,y,z |
1_555 |
25 |
5 |
3327 |
203.6 |
-2.3 |
0.593 |
7 |
0 |
0 |
0.050 |
29 |
|
D |
26 |
5 |
3564 |
◊ |
B |
x,y,z |
1_555 |
23 |
5 |
3331 |
203.5 |
-2.1 |
0.596 |
7 |
0 |
0 |
0.050 |
| Average: |
204.9 |
-2.2 |
0.590 |
7 |
0 |
0 |
0.050 |
| 16 |
30 |
|
E |
25 |
6 |
2459 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
24 |
6 |
10211 |
205.2 |
0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
| 17 |
31 |
|
B |
20 |
2 |
3331 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
7 |
10211 |
195.2 |
1.7 |
0.645 |
0 |
0 |
0 |
0.000 |
| 18 |
32 |
|
K |
23 |
7 |
9901 |
◊ |
G |
x-1,y,z-1 |
1_454 |
19 |
2 |
3327 |
191.1 |
2.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
A |
15 |
4 |
10078 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
19 |
6 |
10211 |
147.0 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
O |
13 |
2 |
2469 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
3 |
10078 |
124.5 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[ACT]A:1190 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
10078 |
122.3 |
-0.6 |
0.596 |
1 |
0 |
0 |
0.077 |
| 22 |
36 |
|
[ACT]F:1198 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
22 |
9 |
10211 |
119.1 |
-1.4 |
0.461 |
0 |
0 |
0 |
0.100 |
| 23 |
37 |
|
K |
15 |
4 |
9901 |
◊ |
J |
x-1,y,z-1 |
1_454 |
13 |
1 |
2444 |
107.7 |
0.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[ACT]A:1191 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10078 |
105.7 |
-0.3 |
0.642 |
0 |
0 |
0 |
0.023 |
| 25 |
39 |
|
N |
12 |
2 |
3561 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
10211 |
95.0 |
2.2 |
0.811 |
3 |
0 |
0 |
0.000 |
| 26 |
40 |
|
E |
10 |
1 |
2459 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
3 |
10211 |
94.9 |
1.3 |
0.580 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
I |
11 |
1 |
3558 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
10078 |
89.4 |
1.8 |
0.759 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
C |
17 |
1 |
2760 |
◊ |
B |
x,y,z |
1_555 |
13 |
1 |
3331 |
87.1 |
1.0 |
0.777 |
0 |
0 |
0 |
0.000 |
43 |
|
H |
17 |
1 |
2757 |
◊ |
G |
x,y,z |
1_555 |
13 |
1 |
3327 |
86.4 |
0.8 |
0.763 |
0 |
0 |
0 |
0.000 |
44 |
|
M |
17 |
1 |
2767 |
◊ |
L |
x,y,z |
1_555 |
13 |
1 |
3327 |
86.2 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
86.6 |
0.8 |
0.764 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
D |
10 |
1 |
3564 |
◊ |
K |
x,y,z |
1_555 |
8 |
3 |
9901 |
79.8 |
1.5 |
0.756 |
2 |
0 |
0 |
0.000 |
| 30 |
46 |
|
E |
15 |
1 |
2459 |
◊ |
D |
x,y,z |
1_555 |
11 |
1 |
3564 |
76.9 |
0.9 |
0.709 |
0 |
0 |
0 |
0.000 |
47 |
|
J |
15 |
1 |
2444 |
◊ |
I |
x,y,z |
1_555 |
11 |
1 |
3558 |
76.2 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
48 |
|
O |
14 |
1 |
2469 |
◊ |
N |
x,y,z |
1_555 |
12 |
1 |
3561 |
74.9 |
1.1 |
0.733 |
0 |
0 |
0 |
0.000 |
| Average: |
76.0 |
0.8 |
0.710 |
0 |
0 |
0 |
0.000 |
| 31 |
49 |
|
[MN]A:1189 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
10078 |
39.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
50 |
|
[MN]K:1184 |
1 |
1 |
123 |
◊ |
K |
x,y,z |
1_555 |
8 |
5 |
9901 |
38.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
51 |
|
[MN]F:1196 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
10211 |
38.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
38.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 32 |
52 |
|
[MN]F:1197 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
9 |
6 |
10211 |
39.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
53 |
|
[MN]K:1183 |
1 |
1 |
123 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
9901 |
38.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
54 |
|
[MN]A:1188 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
10078 |
37.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
38.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| 33 |
55 |
|
F |
3 |
1 |
10211 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
10078 |
34.9 |
1.6 |
0.904 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
[MN]A:1189 |
1 |
1 |
123 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
2760 |
30.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.103 |
57 |
|
[MN]F:1196 |
1 |
1 |
123 |
cf |
H |
x,y,z |
1_555 |
4 |
1 |
2757 |
30.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.103 |
58 |
|
[MN]K:1184 |
1 |
1 |
123 |
cf |
M |
x,y,z |
1_555 |
4 |
1 |
2767 |
30.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
30.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| 35 |
59 |
|
[MN]A:1189 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
3564 |
30.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.089 |
60 |
|
[MN]K:1184 |
1 |
1 |
123 |
◊ |
N |
x,y,z |
1_555 |
7 |
2 |
3561 |
29.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.089 |
61 |
|
[MN]F:1196 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
3558 |
29.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
29.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| 36 |
62 |
|
[MN]A:1188 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
3331 |
30.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.091 |
63 |
|
[MN]K:1183 |
1 |
1 |
123 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
3327 |
29.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.091 |
64 |
|
[MN]F:1197 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
3327 |
29.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
29.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.091 |
| 37 |
65 |
|
[MN]F:1197 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
3 |
1 |
2444 |
29.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
66 |
|
[MN]A:1188 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
2459 |
29.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
67 |
|
[MN]K:1183 |
1 |
1 |
123 |
f |
O |
x,y,z |
1_555 |
3 |
1 |
2469 |
29.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
29.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 38 |
68 |
|
J |
1 |
1 |
2444 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2757 |
11.6 |
-1.2 |
0.174 |
0 |
0 |
0 |
0.011 |
69 |
|
E |
1 |
1 |
2459 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2760 |
9.9 |
-1.1 |
0.175 |
0 |
0 |
0 |
0.011 |
70 |
|
O |
1 |
1 |
2469 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
2767 |
9.3 |
-1.0 |
0.178 |
0 |
0 |
0 |
0.011 |
| Average: |
10.3 |
-1.1 |
0.176 |
0 |
0 |
0 |
0.011 |
| 39 |
71 |
|
I |
1 |
1 |
3558 |
◊ |
[ACT]A:1190 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
183 |
6.9 |
-0.3 |
0.363 |
0 |
0 |
0 |
0.000 |
| 40 |
72 |
|
L |
2 |
2 |
3327 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9901 |
6.8 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.000 |
| 41 |
73 |
|
[MN]K:1184 |
1 |
1 |
123 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
3327 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
74 |
|
[MN]F:1196 |
1 |
1 |
123 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
3327 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
75 |
|
[MN]A:1189 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3331 |
4.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 42 |
76 |
|
N |
1 |
1 |
3561 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9901 |
6.1 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
| 43 |
77 |
|
[MN]A:1188 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3564 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
78 |
|
[MN]K:1183 |
1 |
1 |
123 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
3561 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
79 |
|
[MN]F:1197 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
3558 |
4.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 44 |
80 |
|
[MN]F:1197 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2757 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
81 |
|
[MN]K:1183 |
1 |
1 |
123 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
2767 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
82 |
|
[MN]A:1188 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2760 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 45 |
83 |
|
[MN]F:1196 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
2444 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|