| ## |
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 |
87 |
20 |
7745 |
◊ |
B |
x,y,z |
1_555 |
86 |
21 |
7604 |
637.4 |
1.7 |
0.854 |
8 |
8 |
0 |
0.000 |
2 |
|
D |
93 |
23 |
7927 |
◊ |
A |
x,y,z |
1_555 |
84 |
21 |
7639 |
636.9 |
1.7 |
0.836 |
4 |
8 |
0 |
0.000 |
3 |
|
F |
82 |
21 |
7654 |
◊ |
E |
x,y,z |
1_555 |
89 |
22 |
7803 |
634.2 |
0.8 |
0.804 |
6 |
8 |
0 |
0.000 |
| Average: |
636.2 |
1.4 |
0.831 |
6 |
8 |
0 |
0.000 |
| 2 |
4 |
|
E |
55 |
15 |
7803 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
7604 |
456.9 |
-3.9 |
0.383 |
4 |
2 |
0 |
0.049 |
5 |
|
C |
54 |
16 |
7745 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
7639 |
452.2 |
-3.3 |
0.440 |
4 |
2 |
0 |
0.049 |
| Average: |
454.5 |
-3.6 |
0.412 |
4 |
2 |
0 |
0.049 |
| 3 |
6 |
|
D |
46 |
14 |
7927 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
15 |
7654 |
447.9 |
-1.0 |
0.577 |
4 |
2 |
0 |
0.000 |
| 4 |
7 |
|
E |
49 |
16 |
7803 |
◊ |
F |
-x+1,y-1/2,-z+2 |
2_647 |
35 |
9 |
7654 |
331.9 |
-1.4 |
0.567 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
D |
39 |
12 |
7927 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
39 |
11 |
7639 |
314.0 |
-2.1 |
0.450 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
D |
29 |
12 |
7927 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
12 |
7639 |
293.7 |
-4.0 |
0.224 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
C |
41 |
14 |
7745 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
30 |
9 |
7604 |
283.3 |
-3.0 |
0.387 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
E |
25 |
9 |
7803 |
◊ |
F |
x,y-1,z |
1_545 |
26 |
11 |
7654 |
232.9 |
-0.2 |
0.523 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
24 |
10 |
7745 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
10 |
7604 |
207.3 |
-0.4 |
0.632 |
2 |
0 |
0 |
0.000 |
| Average: |
220.1 |
-0.3 |
0.577 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
D |
17 |
2 |
7927 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
7745 |
82.1 |
-0.7 |
0.537 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
F |
16 |
2 |
7654 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
7604 |
76.0 |
-0.7 |
0.537 |
0 |
0 |
0 |
0.000 |
15 |
|
E |
15 |
5 |
7803 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
7745 |
75.8 |
-0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
16 |
2 |
7604 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7639 |
69.5 |
-0.6 |
0.556 |
0 |
0 |
0 |
0.000 |
| Average: |
73.8 |
-0.5 |
0.566 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
A |
15 |
3 |
7639 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
7654 |
74.8 |
-0.9 |
0.495 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
D |
13 |
4 |
7927 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
2 |
7803 |
71.1 |
-0.7 |
0.521 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
A |
14 |
3 |
7639 |
◊ |
F |
x-1,y,z-1 |
1_454 |
5 |
2 |
7654 |
70.6 |
-1.4 |
0.230 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[CL]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
7927 |
65.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.158 |
21 |
|
[CL]A:1005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7639 |
65.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.158 |
22 |
|
[CL]F:506 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
7654 |
64.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.158 |
23 |
|
[CL]C:1005 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7745 |
63.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.158 |
24 |
|
[CL]E:507 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
7803 |
63.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.158 |
25 |
|
[CL]B:1005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
7604 |
63.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
64.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.158 |
| 15 |
26 |
|
D |
10 |
3 |
7927 |
f |
[CL]F:501 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
56.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.129 |
27 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
F |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
7654 |
55.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.129 |
28 |
|
[CL]B:1006 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
7604 |
54.9 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.129 |
29 |
|
[CL]C:1006 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
7745 |
54.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.129 |
30 |
|
[CL]E:502 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
7803 |
54.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.129 |
31 |
|
[CL]A:1007 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
7639 |
51.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
54.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.129 |
| 16 |
32 |
|
D |
5 |
1 |
7927 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
8 |
3 |
7654 |
51.9 |
-0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[CL]A:1006 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7639 |
51.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.102 |
34 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
7803 |
51.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.102 |
35 |
|
[CL]A:1006 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7745 |
49.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.102 |
36 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7604 |
49.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
50.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.102 |
| 18 |
37 |
|
[CA]E:506 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
7803 |
47.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.144 |
38 |
|
[CA]C:1004 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
7745 |
46.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.144 |
39 |
|
[CA]F:505 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
7654 |
45.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.144 |
40 |
|
[CA]B:1004 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7604 |
44.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.144 |
41 |
|
[CA]A:1004 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7639 |
44.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.144 |
42 |
|
[CA]D:505 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7927 |
43.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
45.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.144 |
| 19 |
43 |
|
[CA]E:504 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
7803 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
44 |
|
[CA]A:1002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
7639 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
45 |
|
[CA]F:503 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
7654 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
46 |
|
[CA]D:503 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
7927 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
47 |
|
[CA]B:1002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
7604 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
48 |
|
[CA]C:1002 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
7745 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.215 |
| 20 |
49 |
|
[CA]B:1003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
7604 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
50 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
7639 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
51 |
|
[CA]D:504 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
7927 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
52 |
|
[CA]F:504 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
4 |
4 |
7654 |
42.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.213 |
53 |
|
[CA]C:1003 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
7745 |
42.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.213 |
54 |
|
[CA]E:505 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
7803 |
40.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
42.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.213 |
| 21 |
55 |
|
B |
3 |
1 |
7604 |
◊ |
F |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
7654 |
26.9 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
| 22 |
56 |
|
C |
3 |
2 |
7745 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
7639 |
24.9 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
| 23 |
57 |
|
D |
2 |
1 |
7927 |
◊ |
[CA]A:1004 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
85 |
15.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
E |
3 |
1 |
7803 |
◊ |
[CA]F:505 |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
85 |
12.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
C |
2 |
1 |
7745 |
◊ |
[CA]B:1004 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
85 |
11.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
60 |
|
[CL]A:1007 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
7604 |
14.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[CL]C:1006 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
7927 |
13.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[CL]B:1006 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
7654 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[CL]F:501 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
7803 |
11.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[CL]D:501 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7639 |
11.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[CL]E:502 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
7745 |
9.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
66 |
|
A |
2 |
1 |
7639 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
7604 |
11.6 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
| 26 |
67 |
|
[CA]E:506 |
1 |
1 |
85 |
f |
[CA]E:505 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 27 |
68 |
|
[CA]C:1004 |
1 |
1 |
85 |
f |
[CA]C:1003 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 28 |
69 |
|
[CA]F:505 |
1 |
1 |
85 |
f |
[CA]F:504 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|