| ## |
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 |
|
R |
110 |
31 |
6211 |
◊ |
Q |
x,y,z |
1_555 |
126 |
30 |
7092 |
1151.3 |
-12.6 |
0.319 |
15 |
4 |
0 |
1.000 |
2 |
|
X |
104 |
31 |
6279 |
◊ |
W |
x,y,z |
1_555 |
128 |
30 |
6308 |
1139.5 |
-11.5 |
0.372 |
15 |
4 |
0 |
1.000 |
3 |
|
T |
108 |
32 |
6375 |
◊ |
S |
x,y,z |
1_555 |
126 |
30 |
6281 |
1133.1 |
-12.5 |
0.317 |
16 |
2 |
0 |
1.000 |
4 |
|
W |
108 |
32 |
6308 |
◊ |
V |
x,y,z |
1_555 |
124 |
30 |
6357 |
1132.6 |
-12.4 |
0.329 |
17 |
4 |
0 |
1.000 |
5 |
|
U |
122 |
30 |
6291 |
◊ |
S |
x,y,z |
1_555 |
108 |
32 |
6281 |
1130.2 |
-12.4 |
0.339 |
16 |
4 |
0 |
1.000 |
6 |
|
N |
106 |
31 |
6293 |
◊ |
M |
x,y,z |
1_555 |
123 |
30 |
6301 |
1128.3 |
-12.0 |
0.349 |
15 |
4 |
0 |
1.000 |
7 |
|
U |
107 |
32 |
6291 |
◊ |
T |
x,y,z |
1_555 |
124 |
30 |
6375 |
1127.5 |
-11.8 |
0.347 |
17 |
4 |
0 |
1.000 |
8 |
|
X |
125 |
31 |
6279 |
◊ |
V |
x,y,z |
1_555 |
106 |
30 |
6357 |
1123.5 |
-12.8 |
0.309 |
17 |
3 |
0 |
1.000 |
9 |
|
Q |
100 |
30 |
7092 |
◊ |
P |
x,y,z |
1_555 |
124 |
30 |
6226 |
1122.8 |
-12.5 |
0.297 |
16 |
4 |
0 |
1.000 |
10 |
|
O |
101 |
30 |
6363 |
◊ |
N |
x,y,z |
1_555 |
124 |
31 |
6293 |
1121.9 |
-12.9 |
0.277 |
15 |
2 |
0 |
1.000 |
11 |
|
O |
124 |
30 |
6363 |
◊ |
M |
x,y,z |
1_555 |
104 |
32 |
6301 |
1120.1 |
-12.2 |
0.320 |
17 |
4 |
0 |
1.000 |
12 |
|
R |
118 |
31 |
6211 |
◊ |
P |
x,y,z |
1_555 |
104 |
31 |
6226 |
1112.6 |
-12.5 |
0.295 |
17 |
3 |
0 |
1.000 |
| Average: |
1128.6 |
-12.3 |
0.323 |
16 |
4 |
0 |
1.000 |
| 2 |
13 |
|
D |
109 |
31 |
6706 |
◊ |
B |
x,y,z |
1_555 |
109 |
29 |
6631 |
1128.3 |
-8.3 |
0.490 |
17 |
4 |
0 |
1.000 |
14 |
|
B |
114 |
31 |
6631 |
◊ |
A |
x,y,z |
1_555 |
107 |
30 |
6686 |
1127.3 |
-8.7 |
0.455 |
19 |
4 |
0 |
1.000 |
15 |
|
L |
110 |
30 |
6682 |
◊ |
J |
x,y,z |
1_555 |
112 |
31 |
6636 |
1126.1 |
-8.4 |
0.498 |
16 |
4 |
0 |
1.000 |
16 |
|
L |
113 |
31 |
6682 |
◊ |
K |
x,y,z |
1_555 |
109 |
30 |
6645 |
1124.0 |
-8.3 |
0.489 |
16 |
3 |
0 |
1.000 |
17 |
|
I |
109 |
29 |
6610 |
◊ |
G |
x,y,z |
1_555 |
110 |
31 |
6636 |
1124.0 |
-8.7 |
0.494 |
19 |
4 |
0 |
1.000 |
18 |
|
F |
110 |
29 |
6646 |
◊ |
C |
x,y,z |
1_555 |
113 |
31 |
6647 |
1123.0 |
-8.7 |
0.486 |
19 |
2 |
0 |
1.000 |
19 |
|
I |
113 |
31 |
6610 |
◊ |
H |
x,y,z |
1_555 |
111 |
30 |
6641 |
1121.5 |
-9.3 |
0.445 |
18 |
3 |
0 |
1.000 |
20 |
|
E |
114 |
31 |
6639 |
◊ |
C |
x,y,z |
1_555 |
107 |
29 |
6647 |
1120.4 |
-9.0 |
0.452 |
15 |
3 |
0 |
1.000 |
21 |
|
F |
116 |
31 |
6646 |
◊ |
E |
x,y,z |
1_555 |
111 |
30 |
6639 |
1117.6 |
-9.0 |
0.474 |
17 |
3 |
0 |
1.000 |
22 |
|
K |
113 |
31 |
6645 |
◊ |
J |
x,y,z |
1_555 |
111 |
29 |
6636 |
1113.6 |
-8.9 |
0.477 |
18 |
2 |
0 |
1.000 |
23 |
|
H |
113 |
31 |
6641 |
◊ |
G |
x,y,z |
1_555 |
108 |
29 |
6636 |
1104.3 |
-8.9 |
0.460 |
16 |
3 |
0 |
1.000 |
24 |
|
D |
106 |
28 |
6706 |
◊ |
A |
x,y,z |
1_555 |
110 |
31 |
6686 |
1092.1 |
-9.2 |
0.409 |
16 |
3 |
0 |
1.000 |
| Average: |
1118.5 |
-8.8 |
0.469 |
17 |
3 |
0 |
1.000 |
| 3 |
25 |
|
J |
55 |
16 |
6636 |
◊ |
Q |
-x+1/2,-y,z-1/2 |
2_554 |
62 |
17 |
7092 |
493.6 |
-3.2 |
0.583 |
1 |
3 |
0 |
0.000 |
| 4 |
26 |
|
O |
34 |
10 |
6363 |
◊ |
I |
x,y,z |
1_555 |
39 |
15 |
6610 |
339.7 |
-6.9 |
0.143 |
1 |
0 |
0 |
0.246 |
27 |
|
Q |
32 |
10 |
7092 |
◊ |
F |
x,y,z |
1_555 |
34 |
14 |
6646 |
338.8 |
-7.4 |
0.089 |
0 |
0 |
0 |
0.246 |
28 |
|
T |
34 |
10 |
6375 |
◊ |
H |
x,y,z |
1_555 |
36 |
14 |
6641 |
335.5 |
-6.7 |
0.127 |
1 |
0 |
0 |
0.246 |
29 |
|
P |
32 |
10 |
6226 |
◊ |
G |
x,y,z |
1_555 |
35 |
12 |
6636 |
326.5 |
-8.5 |
0.052 |
0 |
0 |
0 |
0.246 |
30 |
|
U |
30 |
9 |
6291 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
6686 |
325.4 |
-8.3 |
0.040 |
0 |
0 |
0 |
0.246 |
31 |
|
R |
33 |
10 |
6211 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
6631 |
324.6 |
-8.1 |
0.051 |
0 |
0 |
0 |
0.246 |
32 |
|
V |
31 |
9 |
6357 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
6639 |
323.3 |
-8.4 |
0.044 |
0 |
0 |
0 |
0.246 |
33 |
|
N |
31 |
10 |
6293 |
◊ |
C |
x,y,z |
1_555 |
34 |
12 |
6647 |
322.1 |
-8.3 |
0.052 |
0 |
0 |
0 |
0.246 |
34 |
|
W |
30 |
9 |
6308 |
◊ |
K |
x,y,z |
1_555 |
32 |
11 |
6645 |
322.0 |
-8.3 |
0.042 |
0 |
0 |
0 |
0.246 |
35 |
|
S |
32 |
10 |
6281 |
◊ |
J |
x,y,z |
1_555 |
34 |
12 |
6636 |
315.7 |
-8.0 |
0.064 |
0 |
0 |
0 |
0.246 |
36 |
|
X |
30 |
10 |
6279 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
6706 |
313.9 |
-8.2 |
0.048 |
0 |
0 |
0 |
0.246 |
37 |
|
M |
32 |
10 |
6301 |
◊ |
L |
x,y,z |
1_555 |
33 |
11 |
6682 |
313.5 |
-8.0 |
0.063 |
0 |
0 |
0 |
0.246 |
| Average: |
325.1 |
-7.9 |
0.068 |
0 |
0 |
0 |
0.246 |
| 5 |
38 |
|
W |
28 |
9 |
6308 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
6639 |
305.6 |
-2.2 |
0.559 |
2 |
0 |
0 |
0.134 |
39 |
|
R |
26 |
9 |
6211 |
◊ |
F |
x,y,z |
1_555 |
37 |
13 |
6646 |
294.9 |
-2.8 |
0.457 |
3 |
1 |
0 |
0.134 |
40 |
|
V |
24 |
8 |
6357 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
6706 |
294.9 |
-2.1 |
0.523 |
2 |
1 |
0 |
0.134 |
41 |
|
M |
24 |
8 |
6301 |
◊ |
I |
x,y,z |
1_555 |
34 |
12 |
6610 |
282.9 |
-3.0 |
0.399 |
2 |
2 |
0 |
0.134 |
42 |
|
P |
26 |
8 |
6226 |
◊ |
B |
x,y,z |
1_555 |
37 |
13 |
6631 |
282.7 |
-3.0 |
0.442 |
2 |
1 |
0 |
0.134 |
43 |
|
S |
24 |
8 |
6281 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
6686 |
280.5 |
-2.6 |
0.446 |
4 |
2 |
0 |
0.134 |
44 |
|
X |
25 |
8 |
6279 |
◊ |
K |
x,y,z |
1_555 |
34 |
13 |
6645 |
276.3 |
-3.0 |
0.406 |
2 |
2 |
0 |
0.134 |
45 |
|
U |
22 |
8 |
6291 |
◊ |
H |
x,y,z |
1_555 |
33 |
11 |
6641 |
272.4 |
-1.5 |
0.590 |
2 |
1 |
0 |
0.134 |
46 |
|
N |
23 |
8 |
6293 |
◊ |
L |
x,y,z |
1_555 |
34 |
11 |
6682 |
272.0 |
-2.1 |
0.521 |
4 |
2 |
0 |
0.134 |
47 |
|
Q |
23 |
8 |
7092 |
◊ |
G |
x,y,z |
1_555 |
33 |
11 |
6636 |
270.0 |
-2.5 |
0.462 |
4 |
2 |
0 |
0.134 |
48 |
|
O |
22 |
8 |
6363 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
6647 |
269.3 |
-2.4 |
0.465 |
4 |
2 |
0 |
0.134 |
49 |
|
T |
23 |
8 |
6375 |
◊ |
J |
x,y,z |
1_555 |
33 |
11 |
6636 |
268.5 |
-2.3 |
0.476 |
2 |
1 |
0 |
0.134 |
| Average: |
280.8 |
-2.5 |
0.479 |
3 |
1 |
0 |
0.134 |
| 6 |
50 |
|
B |
36 |
11 |
6631 |
◊ |
X |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
8 |
6279 |
262.2 |
-2.1 |
0.558 |
2 |
1 |
0 |
0.000 |
| 7 |
51 |
|
S |
22 |
7 |
6281 |
◊ |
Q |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
4 |
7092 |
182.5 |
0.2 |
0.733 |
1 |
3 |
0 |
0.000 |
| 8 |
52 |
|
P |
20 |
7 |
6226 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
4 |
6706 |
158.8 |
2.7 |
0.885 |
4 |
3 |
0 |
0.000 |
| 9 |
53 |
|
Q |
13 |
4 |
7092 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
5 |
6639 |
130.5 |
0.7 |
0.773 |
2 |
4 |
0 |
0.000 |
| 10 |
54 |
|
R |
13 |
5 |
6211 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
7 |
6706 |
126.2 |
0.4 |
0.739 |
2 |
0 |
0 |
0.000 |
| 11 |
55 |
|
R |
16 |
5 |
6211 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
6686 |
117.8 |
1.0 |
0.824 |
1 |
5 |
0 |
0.000 |
| 12 |
56 |
|
P |
11 |
6 |
6226 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
6 |
6686 |
115.2 |
-0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| 13 |
57 |
|
L |
7 |
3 |
6682 |
◊ |
S |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
6281 |
79.1 |
0.5 |
0.719 |
2 |
3 |
0 |
0.000 |
| 14 |
58 |
|
C |
6 |
2 |
6647 |
◊ |
V |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
6357 |
63.6 |
1.9 |
0.894 |
2 |
3 |
0 |
0.000 |
| 15 |
59 |
|
I |
5 |
3 |
6610 |
◊ |
T |
x-1/2,-y-1/2,-z |
4_445 |
7 |
4 |
6375 |
58.1 |
-1.0 |
0.310 |
0 |
0 |
0 |
0.000 |
| 16 |
60 |
|
M |
8 |
2 |
6301 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
10 |
2 |
6645 |
56.0 |
-0.0 |
0.682 |
2 |
3 |
0 |
0.000 |
| 17 |
61 |
|
N |
6 |
2 |
6293 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
6645 |
52.2 |
0.5 |
0.657 |
1 |
1 |
0 |
0.000 |
| 18 |
62 |
|
R |
5 |
1 |
6211 |
◊ |
X |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
6279 |
50.7 |
0.9 |
0.835 |
1 |
4 |
0 |
0.000 |
| 19 |
63 |
|
B |
4 |
1 |
6631 |
◊ |
W |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
6308 |
42.5 |
0.5 |
0.678 |
0 |
0 |
0 |
0.000 |
| 20 |
64 |
|
P |
10 |
3 |
6226 |
◊ |
X |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
6279 |
42.3 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.000 |
| 21 |
65 |
|
L |
2 |
1 |
6682 |
◊ |
Q |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
7092 |
31.3 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 22 |
66 |
|
H |
3 |
3 |
6641 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
6631 |
26.9 |
1.6 |
0.932 |
0 |
0 |
0 |
0.000 |
67 |
|
K |
4 |
4 |
6645 |
◊ |
A |
x,y,z |
1_555 |
4 |
4 |
6686 |
26.3 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
68 |
|
L |
4 |
4 |
6682 |
◊ |
E |
x,y,z |
1_555 |
4 |
4 |
6639 |
14.9 |
0.7 |
0.843 |
0 |
0 |
0 |
0.000 |
69 |
|
J |
3 |
3 |
6636 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
6610 |
11.8 |
0.5 |
0.827 |
0 |
0 |
0 |
0.000 |
70 |
|
F |
2 |
2 |
6646 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
6706 |
8.3 |
0.6 |
0.850 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
1 |
1 |
6636 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6647 |
6.5 |
0.5 |
0.903 |
0 |
0 |
0 |
0.000 |
| Average: |
15.8 |
0.7 |
0.851 |
0 |
0 |
0 |
0.000 |
| 23 |
72 |
|
O |
2 |
1 |
6363 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
6641 |
20.9 |
0.5 |
0.853 |
0 |
0 |
0 |
0.000 |
| 24 |
73 |
|
P |
5 |
3 |
6226 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
6639 |
18.3 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
|