| ## |
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 |
|
C |
120 |
19 |
8328 |
◊ |
A |
x,y,z |
1_555 |
100 |
29 |
5098 |
1003.2 |
-19.6 |
0.657 |
21 |
0 |
0 |
0.131 |
2 |
|
D |
116 |
18 |
8333 |
◊ |
B |
x,y,z |
1_555 |
95 |
30 |
4603 |
996.3 |
-20.8 |
0.543 |
23 |
0 |
0 |
0.131 |
| Average: |
999.8 |
-20.2 |
0.600 |
22 |
0 |
0 |
0.131 |
| 2 |
3 |
|
C |
26 |
2 |
8328 |
◊ |
D |
-y+3/2,x+1/2,z-1/4 |
3_654 |
27 |
2 |
8333 |
189.8 |
6.0 |
0.995 |
0 |
0 |
0 |
0.000 |
| 3 |
4 |
|
[GTP]D:301 |
18 |
1 |
585 |
cf |
D |
x,y,z |
1_555 |
22 |
4 |
8333 |
163.1 |
0.4 |
0.756 |
2 |
0 |
0 |
0.002 |
5 |
|
[GTP]C:101 |
19 |
1 |
620 |
cf |
C |
x,y,z |
1_555 |
22 |
4 |
8328 |
156.6 |
0.6 |
0.792 |
2 |
0 |
0 |
0.002 |
| Average: |
159.8 |
0.5 |
0.774 |
2 |
0 |
0 |
0.002 |
| 4 |
6 |
|
B |
15 |
7 |
4603 |
◊ |
D |
-y+3/2,x+1/2,z-1/4 |
3_654 |
18 |
5 |
8333 |
148.5 |
-0.7 |
0.626 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
21 |
4 |
8328 |
◊ |
A |
y,x,-z |
7_555 |
9 |
2 |
5098 |
146.3 |
-1.8 |
0.179 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[K]C:1162 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
8328 |
116.3 |
-93.6 |
0.000 |
0 |
0 |
0 |
0.451 |
9 |
|
[K]D:1362 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
6 |
8333 |
116.2 |
-93.9 |
0.000 |
0 |
0 |
0 |
0.451 |
| Average: |
116.2 |
-93.7 |
0.000 |
0 |
0 |
0 |
0.451 |
| 7 |
10 |
|
[GTP]D:301 |
13 |
1 |
585 |
◊ |
[GTP]C:101 |
y,x,-z+1 |
7_556 |
15 |
1 |
620 |
95.3 |
1.7 |
0.733 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[GTP]C:101 |
14 |
1 |
620 |
◊ |
D |
y,x,-z+1 |
7_556 |
12 |
2 |
8333 |
91.9 |
-1.1 |
0.644 |
0 |
0 |
0 |
0.003 |
12 |
|
[GTP]D:301 |
14 |
1 |
585 |
◊ |
C |
y,x,-z+1 |
7_556 |
10 |
1 |
8328 |
85.8 |
-0.3 |
0.682 |
0 |
0 |
0 |
0.003 |
| Average: |
88.8 |
-0.7 |
0.663 |
0 |
0 |
0 |
0.003 |
| 9 |
13 |
|
D |
9 |
4 |
8333 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8328 |
76.3 |
-5.0 |
0.314 |
0 |
0 |
0 |
0.012 |
| 10 |
14 |
|
[OS]D:1371 |
1 |
1 |
141 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
8333 |
75.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
15 |
|
[OS]C:1170 |
1 |
1 |
141 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
8328 |
74.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
75.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 11 |
16 |
|
[OS]C:1169 |
1 |
1 |
141 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8328 |
71.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.029 |
17 |
|
[OS]D:1370 |
1 |
1 |
141 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8333 |
67.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
69.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 12 |
18 |
|
[MG]D:1369 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
8333 |
61.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.039 |
19 |
|
[MG]C:1172 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
8328 |
52.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
57.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 13 |
20 |
|
D |
11 |
3 |
8333 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
5098 |
59.7 |
-0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[MG]D:1367 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
8333 |
54.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.045 |
22 |
|
[MG]C:1167 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
8328 |
52.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
53.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.045 |
| 15 |
23 |
|
[MG]C:1163 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8328 |
52.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.039 |
24 |
|
[MG]D:1363 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
8333 |
51.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
52.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| 16 |
25 |
|
[MG]D:1368 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8333 |
51.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.032 |
26 |
|
[MG]C:1164 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
8328 |
47.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
49.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 17 |
27 |
|
[MG]C:1160 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
8328 |
51.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.033 |
28 |
|
[MG]D:1360 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8333 |
48.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
49.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.033 |
| 18 |
29 |
|
C |
9 |
4 |
8328 |
◊ |
C |
y,x,-z+1 |
7_556 |
10 |
4 |
8328 |
50.7 |
-4.6 |
0.385 |
0 |
0 |
0 |
0.005 |
| 19 |
30 |
|
[MG]D:1365 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8333 |
50.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 20 |
31 |
|
[MG]D:1372 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8333 |
49.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.037 |
| 21 |
32 |
|
[MG]C:1159 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8328 |
46.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
33 |
|
[MG]D:1359 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8333 |
46.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
46.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
| 22 |
34 |
|
C |
8 |
3 |
8328 |
◊ |
A |
y,x,-z+1 |
7_556 |
5 |
1 |
5098 |
46.4 |
0.3 |
0.761 |
1 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[MG]D:1361 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8333 |
45.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.034 |
36 |
|
[MG]C:1161 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8328 |
44.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
45.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| 24 |
37 |
|
[OS]D:1370 |
1 |
1 |
141 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8328 |
40.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 25 |
38 |
|
[MG]D:1364 |
1 |
1 |
98 |
◊ |
[GTP]C:101 |
y,x,-z+1 |
7_556 |
7 |
1 |
620 |
40.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.025 |
39 |
|
[MG]D:1364 |
1 |
1 |
98 |
◊ |
[GTP]D:301 |
x,y,z |
1_555 |
7 |
1 |
585 |
32.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
36.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.025 |
| 26 |
40 |
|
[MG]C:1166 |
1 |
1 |
98 |
f |
[GTP]C:101 |
x,y,z |
1_555 |
10 |
1 |
620 |
40.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.028 |
41 |
|
[MG]D:1366 |
1 |
1 |
98 |
f |
[GTP]D:301 |
x,y,z |
1_555 |
8 |
1 |
585 |
37.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
38.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 27 |
42 |
|
D |
4 |
2 |
8333 |
x |
D |
-y+3/2,x+1/2,z-1/4 |
3_654 |
8 |
3 |
8333 |
39.7 |
-2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[MG]D:1366 |
1 |
1 |
98 |
◊ |
C |
y,x,-z+1 |
7_556 |
5 |
2 |
8328 |
39.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.024 |
44 |
|
[MG]C:1166 |
1 |
1 |
98 |
◊ |
D |
y,x,-z+1 |
7_556 |
6 |
2 |
8333 |
31.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
35.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 29 |
45 |
|
D |
6 |
1 |
8333 |
◊ |
B |
-y+3/2,x+1/2,z+3/4 |
3_655 |
3 |
1 |
4603 |
35.6 |
0.6 |
0.791 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[MG]C:1165 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8333 |
35.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 31 |
47 |
|
[MG]C:1165 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
8328 |
34.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 32 |
48 |
|
[MG]C:1168 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
8328 |
30.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 33 |
49 |
|
B |
3 |
1 |
4603 |
x |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
4 |
1 |
4603 |
27.4 |
0.3 |
0.674 |
1 |
1 |
0 |
0.000 |
| 34 |
50 |
|
[K]C:1162 |
1 |
1 |
216 |
f |
[MG]C:1163 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.060 |
| 35 |
51 |
|
[K]D:1362 |
1 |
1 |
216 |
f |
[MG]D:1363 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 36 |
52 |
|
C |
3 |
1 |
8328 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4603 |
18.6 |
-0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[MG]D:1372 |
1 |
1 |
98 |
f |
[MG]D:1369 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 38 |
54 |
|
[K]D:1362 |
1 |
1 |
216 |
f |
[MG]D:1367 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 39 |
55 |
|
[K]C:1162 |
1 |
1 |
216 |
f |
[MG]C:1167 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.030 |
| 40 |
56 |
|
[MG]D:1364 |
1 |
1 |
98 |
◊ |
C |
y,x,-z+1 |
7_556 |
3 |
3 |
8328 |
9.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
57 |
|
[MG]D:1364 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8333 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
5.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 41 |
58 |
|
[MG]D:1365 |
1 |
1 |
98 |
f |
[MG]D:1361 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 42 |
59 |
|
[MG]C:1172 |
1 |
1 |
98 |
f |
[MG]C:1168 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 43 |
60 |
|
[MG]D:1372 |
1 |
1 |
98 |
f |
[MG]D:1363 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 44 |
61 |
|
[OS]D:1370 |
1 |
1 |
141 |
◊ |
[MG]C:1165 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 45 |
62 |
|
[MG]D:1361 |
1 |
1 |
98 |
f |
[MG]D:1360 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|