| ## |
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 |
159 |
40 |
9294 |
◊ |
A |
x,y,z |
1_555 |
160 |
42 |
8922 |
1398.3 |
-21.9 |
0.211 |
11 |
2 |
0 |
1.000 |
2 |
|
D |
154 |
39 |
8934 |
◊ |
B |
x,y,z |
1_555 |
153 |
40 |
8939 |
1386.4 |
-24.0 |
0.147 |
8 |
2 |
0 |
1.000 |
| Average: |
1392.4 |
-22.9 |
0.179 |
10 |
2 |
0 |
1.000 |
| 2 |
3 |
|
B |
140 |
34 |
8939 |
◊ |
A |
x,y,z |
1_555 |
136 |
34 |
8922 |
1193.9 |
-15.8 |
0.388 |
7 |
4 |
0 |
0.852 |
| 3 |
4 |
|
D |
136 |
36 |
8934 |
◊ |
C |
x,y,z |
1_555 |
134 |
33 |
9294 |
1171.7 |
-14.5 |
0.372 |
9 |
5 |
0 |
0.691 |
| 4 |
5 |
|
D |
48 |
13 |
8934 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
8922 |
371.8 |
-5.2 |
0.407 |
3 |
0 |
0 |
0.156 |
6 |
|
C |
51 |
13 |
9294 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
8939 |
370.9 |
-5.1 |
0.414 |
3 |
0 |
0 |
0.156 |
| Average: |
371.3 |
-5.2 |
0.411 |
3 |
0 |
0 |
0.156 |
| 5 |
7 |
|
C |
33 |
10 |
9294 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
30 |
7 |
8939 |
279.3 |
-1.2 |
0.705 |
3 |
1 |
0 |
0.000 |
8 |
|
A |
32 |
8 |
8922 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
33 |
9 |
8934 |
271.1 |
-0.8 |
0.754 |
3 |
2 |
0 |
0.000 |
| Average: |
275.2 |
-1.0 |
0.730 |
3 |
2 |
0 |
0.000 |
| 6 |
9 |
|
[BOG]D:141 |
15 |
1 |
515 |
◊ |
D |
x,y,z |
1_555 |
42 |
12 |
8934 |
236.3 |
7.1 |
0.726 |
0 |
0 |
0 |
0.000 |
10 |
|
[BOG]C:141 |
14 |
1 |
521 |
◊ |
C |
x,y,z |
1_555 |
42 |
10 |
9294 |
236.2 |
5.9 |
0.644 |
0 |
0 |
0 |
0.000 |
| Average: |
236.2 |
6.5 |
0.685 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
25 |
6 |
9294 |
x |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
25 |
7 |
9294 |
229.0 |
1.7 |
0.846 |
3 |
2 |
0 |
0.000 |
12 |
|
D |
16 |
5 |
8934 |
x |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
13 |
4 |
8934 |
154.0 |
2.1 |
0.898 |
3 |
2 |
0 |
0.000 |
| Average: |
191.5 |
1.9 |
0.872 |
3 |
2 |
0 |
0.000 |
| 8 |
13 |
|
[BOG]B:143 |
20 |
1 |
522 |
◊ |
B |
x,y,z |
1_555 |
36 |
8 |
8939 |
219.7 |
1.3 |
0.124 |
3 |
0 |
0 |
0.000 |
14 |
|
[BOG]C:143 |
20 |
1 |
515 |
◊ |
C |
x,y,z |
1_555 |
36 |
8 |
9294 |
209.5 |
1.3 |
0.124 |
1 |
0 |
0 |
0.000 |
| Average: |
214.6 |
1.3 |
0.124 |
2 |
0 |
0 |
0.001 |
| 9 |
15 |
|
C |
21 |
6 |
9294 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
23 |
6 |
8934 |
208.1 |
-1.1 |
0.623 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
20 |
3 |
9294 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
9 |
8939 |
207.3 |
-0.3 |
0.745 |
2 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[BOG]C:142 |
17 |
1 |
528 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
9294 |
183.5 |
2.0 |
0.141 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[BOG]C:142 |
18 |
1 |
528 |
◊ |
D |
x,y,z |
1_555 |
28 |
8 |
8934 |
183.2 |
2.5 |
0.134 |
2 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[BOG]B:142 |
18 |
1 |
518 |
f |
A |
x,y,z |
1_555 |
31 |
8 |
8922 |
173.3 |
0.2 |
0.077 |
1 |
0 |
0 |
0.011 |
| 14 |
20 |
|
[BOG]B:142 |
17 |
1 |
518 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
8939 |
170.8 |
2.5 |
0.216 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[BOG]B:141 |
8 |
1 |
525 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
8922 |
169.7 |
4.7 |
0.674 |
0 |
0 |
0 |
0.000 |
22 |
|
[BOG]A:141 |
10 |
1 |
520 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
8939 |
164.5 |
5.3 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
167.1 |
5.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
D |
16 |
3 |
8934 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
18 |
4 |
8939 |
157.3 |
-0.2 |
0.622 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
17 |
4 |
8922 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
15 |
3 |
9294 |
154.9 |
-1.3 |
0.541 |
0 |
0 |
0 |
0.000 |
| Average: |
156.1 |
-0.8 |
0.582 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[BOG]B:141 |
16 |
1 |
525 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
8939 |
150.3 |
0.6 |
0.069 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[BOG]A:141 |
13 |
1 |
520 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
8922 |
143.6 |
0.9 |
0.132 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[BOG]B:143 |
16 |
1 |
522 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
8922 |
125.6 |
0.8 |
0.104 |
0 |
0 |
0 |
0.008 |
28 |
|
[BOG]C:143 |
15 |
1 |
515 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
8934 |
124.8 |
0.7 |
0.116 |
2 |
0 |
0 |
0.008 |
| Average: |
125.2 |
0.7 |
0.110 |
1 |
0 |
0 |
0.008 |
| 20 |
29 |
|
[BOG]C:141 |
12 |
1 |
521 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8934 |
114.2 |
0.7 |
0.091 |
0 |
0 |
0 |
0.000 |
30 |
|
[BOG]D:141 |
12 |
1 |
515 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
9294 |
114.1 |
0.6 |
0.078 |
0 |
0 |
0 |
0.000 |
| Average: |
114.2 |
0.7 |
0.085 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
B |
12 |
4 |
8939 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
14 |
5 |
9294 |
112.6 |
-0.6 |
0.636 |
1 |
0 |
0 |
0.000 |
| 22 |
32 |
|
B |
10 |
7 |
8939 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
10 |
2 |
8934 |
94.0 |
-1.4 |
0.437 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[BOG]A:141 |
11 |
1 |
520 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8934 |
88.8 |
1.1 |
0.172 |
0 |
0 |
0 |
0.000 |
34 |
|
[BOG]B:141 |
10 |
1 |
525 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
9294 |
86.2 |
1.2 |
0.178 |
1 |
0 |
0 |
0.000 |
| Average: |
87.5 |
1.1 |
0.175 |
1 |
0 |
0 |
0.000 |
| 24 |
35 |
|
B |
8 |
2 |
8939 |
x |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
3 |
8939 |
85.2 |
-1.5 |
0.402 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[BOG]D:141 |
11 |
1 |
515 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8939 |
80.3 |
0.1 |
0.084 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[BOG]B:143 |
7 |
1 |
522 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
8934 |
78.8 |
2.1 |
0.407 |
0 |
0 |
0 |
0.000 |
38 |
|
[BOG]C:143 |
5 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8922 |
72.2 |
1.9 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
75.5 |
2.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[BOG]C:141 |
10 |
1 |
521 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
8922 |
78.0 |
0.2 |
0.133 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
A |
8 |
3 |
8922 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
4 |
9294 |
74.2 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[CL]D:142 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8934 |
59.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.310 |
| 30 |
42 |
|
[CL]B:144 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
8939 |
55.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.485 |
| 31 |
43 |
|
[BOG]C:143 |
6 |
1 |
515 |
◊ |
[BOG]B:143 |
x,y,z |
1_555 |
6 |
1 |
522 |
51.7 |
3.4 |
0.387 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
[BOG]B:142 |
3 |
1 |
518 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8934 |
51.6 |
1.4 |
0.558 |
0 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[BOG]C:142 |
4 |
1 |
528 |
◊ |
[BOG]B:142 |
x,y,z |
1_555 |
5 |
1 |
518 |
46.2 |
3.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[BOG]C:142 |
2 |
1 |
528 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8922 |
40.8 |
1.1 |
0.478 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
B |
8 |
4 |
8939 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
6 |
8934 |
40.5 |
0.9 |
0.794 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
8 |
5 |
9294 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
4 |
8922 |
29.0 |
1.0 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
34.7 |
0.9 |
0.799 |
0 |
0 |
0 |
0.000 |
| 36 |
49 |
|
[BOG]B:142 |
4 |
1 |
518 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9294 |
32.5 |
0.6 |
0.196 |
0 |
0 |
0 |
0.000 |
| 37 |
50 |
|
[BOG]C:142 |
4 |
1 |
528 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
8939 |
28.7 |
0.6 |
0.186 |
0 |
0 |
0 |
0.000 |
| 38 |
51 |
|
[BOG]B:141 |
3 |
1 |
525 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
8934 |
24.9 |
-0.1 |
0.197 |
0 |
0 |
0 |
0.100 |
52 |
|
[BOG]A:141 |
2 |
1 |
520 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
9294 |
22.0 |
-0.1 |
0.279 |
0 |
0 |
0 |
0.100 |
| Average: |
23.4 |
-0.1 |
0.238 |
0 |
0 |
0 |
0.100 |
| 39 |
53 |
|
D |
3 |
2 |
8934 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
2 |
9294 |
20.3 |
1.3 |
0.931 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[CL]D:142 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9294 |
19.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.076 |
| 41 |
55 |
|
[CL]D:142 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8939 |
17.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.040 |
| 42 |
56 |
|
[CL]B:144 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8934 |
12.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| 43 |
57 |
|
[BOG]C:143 |
2 |
1 |
515 |
◊ |
[BOG]C:141 |
x,y,z |
1_555 |
1 |
1 |
521 |
11.5 |
0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
| 44 |
58 |
|
A |
1 |
1 |
8922 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
8939 |
7.2 |
-0.2 |
0.311 |
0 |
0 |
0 |
0.000 |
| 45 |
59 |
|
B |
1 |
1 |
8939 |
◊ |
[CL]D:142 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
125 |
7.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
60 |
|
[BOG]C:143 |
2 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8939 |
4.5 |
0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
|