| ## |
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 |
324 |
74 |
12800 |
◊ |
H |
x,y,z |
1_555 |
323 |
71 |
13378 |
3157.8 |
-38.6 |
0.245 |
44 |
24 |
0 |
0.814 |
2 |
|
C |
316 |
75 |
12942 |
◊ |
B |
x,y,z |
1_555 |
321 |
70 |
12893 |
3146.4 |
-39.9 |
0.202 |
43 |
20 |
0 |
0.814 |
3 |
|
L |
325 |
74 |
12719 |
◊ |
K |
x,y,z |
1_555 |
318 |
72 |
12852 |
3135.9 |
-39.3 |
0.221 |
45 |
22 |
0 |
0.814 |
4 |
|
F |
318 |
73 |
12830 |
◊ |
E |
x,y,z |
1_555 |
319 |
70 |
12756 |
3107.8 |
-38.6 |
0.244 |
43 |
22 |
0 |
0.814 |
| Average: |
3137.0 |
-39.1 |
0.228 |
44 |
22 |
0 |
0.814 |
| 2 |
5 |
|
I |
164 |
43 |
12800 |
◊ |
G |
x,y,z |
1_555 |
164 |
43 |
8034 |
1506.7 |
-0.8 |
0.830 |
43 |
19 |
0 |
0.667 |
6 |
|
L |
162 |
42 |
12719 |
◊ |
J |
x,y,z |
1_555 |
162 |
42 |
8120 |
1503.2 |
-1.6 |
0.809 |
43 |
18 |
0 |
0.667 |
7 |
|
F |
163 |
41 |
12830 |
◊ |
D |
x,y,z |
1_555 |
163 |
43 |
7956 |
1500.5 |
-1.9 |
0.792 |
43 |
19 |
0 |
0.667 |
8 |
|
C |
162 |
42 |
12942 |
◊ |
A |
x,y,z |
1_555 |
164 |
44 |
7993 |
1496.4 |
-0.2 |
0.857 |
42 |
19 |
0 |
0.667 |
| Average: |
1501.7 |
-1.1 |
0.822 |
43 |
19 |
0 |
0.667 |
| 3 |
9 |
|
K |
148 |
45 |
12852 |
◊ |
B |
x,y,z |
1_555 |
145 |
46 |
12893 |
1467.9 |
-19.6 |
0.435 |
13 |
8 |
0 |
1.000 |
10 |
|
H |
142 |
45 |
13378 |
◊ |
E |
x,y,z |
1_555 |
149 |
47 |
12756 |
1451.9 |
-19.7 |
0.430 |
13 |
8 |
0 |
1.000 |
| Average: |
1459.9 |
-19.6 |
0.433 |
13 |
8 |
0 |
1.000 |
| 4 |
11 |
|
E |
136 |
34 |
12756 |
◊ |
B |
x,y,z |
1_555 |
130 |
34 |
12893 |
1273.2 |
-20.5 |
0.300 |
4 |
6 |
0 |
1.000 |
12 |
|
K |
132 |
35 |
12852 |
◊ |
H |
x,y,z |
1_555 |
129 |
35 |
13378 |
1265.5 |
-21.4 |
0.259 |
5 |
6 |
0 |
1.000 |
| Average: |
1269.3 |
-21.0 |
0.280 |
5 |
6 |
0 |
1.000 |
| 5 |
13 |
|
K |
96 |
27 |
12852 |
◊ |
J |
x,y,z |
1_555 |
113 |
25 |
8120 |
942.5 |
-6.6 |
0.559 |
8 |
6 |
0 |
1.000 |
14 |
|
H |
95 |
26 |
13378 |
◊ |
G |
x,y,z |
1_555 |
111 |
25 |
8034 |
893.0 |
-6.6 |
0.538 |
10 |
5 |
0 |
1.000 |
15 |
|
E |
92 |
26 |
12756 |
◊ |
D |
x,y,z |
1_555 |
105 |
24 |
7956 |
876.1 |
-7.2 |
0.470 |
11 |
7 |
0 |
1.000 |
16 |
|
B |
91 |
26 |
12893 |
◊ |
A |
x,y,z |
1_555 |
106 |
25 |
7993 |
864.4 |
-7.0 |
0.522 |
10 |
6 |
0 |
1.000 |
| Average: |
894.0 |
-6.9 |
0.522 |
10 |
6 |
0 |
1.000 |
| 6 |
17 |
|
H |
60 |
16 |
13378 |
◊ |
D |
x,y,z |
1_555 |
59 |
17 |
7956 |
634.1 |
-6.4 |
0.354 |
6 |
0 |
0 |
0.415 |
18 |
|
B |
58 |
16 |
12893 |
◊ |
J |
x,y,z |
1_555 |
61 |
18 |
8120 |
622.8 |
-6.0 |
0.394 |
6 |
0 |
0 |
0.415 |
19 |
|
E |
58 |
15 |
12756 |
◊ |
G |
x,y,z |
1_555 |
60 |
18 |
8034 |
619.1 |
-6.2 |
0.365 |
6 |
0 |
0 |
0.415 |
20 |
|
K |
61 |
16 |
12852 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
7993 |
616.3 |
-6.4 |
0.378 |
6 |
0 |
0 |
0.415 |
| Average: |
623.1 |
-6.3 |
0.373 |
6 |
0 |
0 |
0.415 |
| 7 |
21 |
|
K |
56 |
13 |
12852 |
◊ |
E |
x,y,z |
1_555 |
55 |
13 |
12756 |
570.0 |
-6.1 |
0.594 |
10 |
0 |
0 |
0.243 |
22 |
|
H |
58 |
13 |
13378 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
12893 |
563.1 |
-5.4 |
0.643 |
10 |
0 |
0 |
0.243 |
| Average: |
566.6 |
-5.8 |
0.619 |
10 |
0 |
0 |
0.243 |
| 8 |
23 |
|
H |
40 |
10 |
13378 |
◊ |
J |
x,y,z |
1_555 |
44 |
15 |
8120 |
388.0 |
-5.8 |
0.308 |
5 |
0 |
0 |
0.360 |
24 |
|
B |
39 |
10 |
12893 |
◊ |
D |
x,y,z |
1_555 |
41 |
12 |
7956 |
373.6 |
-5.7 |
0.291 |
4 |
0 |
0 |
0.360 |
25 |
|
E |
37 |
9 |
12756 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
7993 |
359.7 |
-6.1 |
0.268 |
4 |
0 |
0 |
0.360 |
26 |
|
K |
37 |
9 |
12852 |
◊ |
G |
x,y,z |
1_555 |
38 |
13 |
8034 |
355.1 |
-5.2 |
0.309 |
4 |
0 |
0 |
0.360 |
| Average: |
369.1 |
-5.7 |
0.294 |
4 |
0 |
0 |
0.360 |
| 9 |
27 |
|
H |
41 |
10 |
13378 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
43 |
15 |
12719 |
363.0 |
-1.7 |
0.712 |
2 |
1 |
0 |
0.000 |
| 10 |
28 |
|
B |
43 |
9 |
12893 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
13 |
12830 |
338.3 |
-1.4 |
0.713 |
4 |
3 |
0 |
0.000 |
| 11 |
29 |
|
I |
33 |
11 |
12800 |
◊ |
E |
x,y,z |
1_555 |
36 |
9 |
12756 |
332.6 |
-3.9 |
0.416 |
1 |
2 |
0 |
0.103 |
30 |
|
L |
33 |
12 |
12719 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
12893 |
332.4 |
-6.2 |
0.238 |
0 |
1 |
0 |
0.103 |
31 |
|
C |
35 |
12 |
12942 |
◊ |
K |
x,y,z |
1_555 |
35 |
9 |
12852 |
330.7 |
-4.6 |
0.373 |
2 |
2 |
0 |
0.103 |
32 |
|
F |
32 |
11 |
12830 |
◊ |
H |
x,y,z |
1_555 |
36 |
9 |
13378 |
308.4 |
-6.3 |
0.217 |
1 |
2 |
0 |
0.103 |
| Average: |
326.0 |
-5.2 |
0.311 |
1 |
2 |
0 |
0.103 |
| 12 |
33 |
|
L |
33 |
9 |
12719 |
◊ |
I |
x,y,z |
1_555 |
32 |
9 |
12800 |
307.5 |
-1.7 |
0.579 |
3 |
0 |
0 |
0.025 |
34 |
|
F |
32 |
9 |
12830 |
◊ |
C |
x,y,z |
1_555 |
31 |
9 |
12942 |
304.4 |
-1.6 |
0.582 |
4 |
0 |
0 |
0.025 |
| Average: |
306.0 |
-1.6 |
0.580 |
4 |
0 |
0 |
0.025 |
| 13 |
35 |
|
I |
26 |
8 |
12800 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
27 |
10 |
12719 |
226.6 |
-1.4 |
0.573 |
1 |
0 |
0 |
0.000 |
| 14 |
36 |
|
I |
20 |
6 |
12800 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
9 |
12942 |
206.9 |
-0.2 |
0.678 |
2 |
3 |
0 |
0.000 |
| 15 |
37 |
|
J |
24 |
5 |
8120 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
7993 |
204.3 |
-2.2 |
0.434 |
0 |
2 |
0 |
0.024 |
38 |
|
G |
21 |
5 |
8034 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
7956 |
184.4 |
-3.4 |
0.233 |
0 |
0 |
0 |
0.024 |
| Average: |
194.4 |
-2.8 |
0.334 |
0 |
1 |
0 |
0.024 |
| 16 |
39 |
|
C |
26 |
7 |
12942 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
7 |
12830 |
177.2 |
-1.1 |
0.581 |
1 |
0 |
0 |
0.000 |
| 17 |
40 |
|
C |
21 |
5 |
12942 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
12756 |
135.5 |
0.1 |
0.639 |
1 |
0 |
0 |
0.005 |
41 |
|
F |
20 |
5 |
12830 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12893 |
135.1 |
0.6 |
0.654 |
1 |
0 |
0 |
0.005 |
42 |
|
L |
21 |
5 |
12719 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
13378 |
134.0 |
0.3 |
0.674 |
1 |
0 |
0 |
0.005 |
43 |
|
I |
20 |
5 |
12800 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
12852 |
133.8 |
0.1 |
0.652 |
1 |
0 |
0 |
0.005 |
| Average: |
134.6 |
0.3 |
0.655 |
1 |
0 |
0 |
0.005 |
| 18 |
44 |
|
I |
17 |
7 |
12800 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
8120 |
131.7 |
-1.1 |
0.304 |
1 |
0 |
0 |
0.026 |
45 |
|
C |
17 |
7 |
12942 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7956 |
131.1 |
-1.1 |
0.303 |
1 |
0 |
0 |
0.026 |
46 |
|
L |
17 |
7 |
12719 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8034 |
125.9 |
-1.3 |
0.280 |
1 |
0 |
0 |
0.026 |
47 |
|
F |
15 |
5 |
12830 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7993 |
123.8 |
-1.4 |
0.297 |
1 |
0 |
0 |
0.026 |
| Average: |
128.1 |
-1.2 |
0.296 |
1 |
0 |
0 |
0.026 |
| 19 |
48 |
|
[TLA]C:3001 |
9 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
12942 |
99.9 |
1.4 |
0.642 |
9 |
0 |
0 |
0.073 |
| 20 |
49 |
|
[TLA]E:3002 |
10 |
1 |
268 |
◊ |
E |
x,y,z |
1_555 |
17 |
8 |
12756 |
99.6 |
0.7 |
0.585 |
5 |
0 |
0 |
0.020 |
| 21 |
50 |
|
[TLA]C:3001 |
10 |
1 |
270 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
12893 |
98.7 |
0.7 |
0.585 |
6 |
0 |
0 |
0.025 |
| 22 |
51 |
|
[TLA]L:3004 |
9 |
1 |
268 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
12719 |
98.0 |
1.4 |
0.644 |
10 |
0 |
0 |
0.082 |
| 23 |
52 |
|
[TLA]E:3002 |
9 |
1 |
268 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
12830 |
97.7 |
1.4 |
0.643 |
5 |
0 |
0 |
0.024 |
| 24 |
53 |
|
[TLA]I:3003 |
10 |
1 |
268 |
◊ |
H |
x,y,z |
1_555 |
17 |
8 |
13378 |
97.5 |
0.6 |
0.577 |
4 |
0 |
0 |
0.016 |
| 25 |
54 |
|
[TLA]L:3004 |
10 |
1 |
268 |
◊ |
K |
x,y,z |
1_555 |
18 |
9 |
12852 |
97.4 |
0.7 |
0.585 |
5 |
0 |
0 |
0.020 |
| 26 |
55 |
|
[TLA]I:3003 |
9 |
1 |
268 |
f |
I |
x,y,z |
1_555 |
15 |
6 |
12800 |
96.0 |
1.4 |
0.649 |
7 |
0 |
0 |
0.047 |
| 27 |
56 |
|
I |
8 |
2 |
12800 |
◊ |
K |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
2 |
12852 |
68.7 |
0.9 |
0.831 |
2 |
4 |
0 |
0.000 |
| 28 |
57 |
|
[3CO]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
12830 |
42.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.237 |
58 |
|
[3CO]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
12942 |
42.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.237 |
59 |
|
[3CO]I:301 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
6 |
3 |
12800 |
42.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.237 |
60 |
|
[3CO]L:301 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
5 |
3 |
12719 |
41.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.237 |
| Average: |
42.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.237 |
| 29 |
61 |
|
C |
5 |
2 |
12942 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
12756 |
37.2 |
0.4 |
0.759 |
0 |
0 |
0 |
0.000 |
| 30 |
62 |
|
F |
2 |
1 |
12830 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8034 |
29.3 |
-0.9 |
0.154 |
0 |
0 |
0 |
0.006 |
63 |
|
L |
2 |
1 |
12719 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7993 |
29.3 |
-0.9 |
0.127 |
0 |
0 |
0 |
0.006 |
64 |
|
C |
2 |
1 |
12942 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8120 |
28.0 |
-0.9 |
0.130 |
0 |
0 |
0 |
0.006 |
65 |
|
I |
2 |
1 |
12800 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
7956 |
27.8 |
-0.9 |
0.131 |
0 |
0 |
0 |
0.006 |
| Average: |
28.6 |
-0.9 |
0.135 |
0 |
0 |
0 |
0.006 |
| 31 |
66 |
|
[3CO]C:301 |
1 |
1 |
125 |
f |
[TLA]C:3001 |
x,y,z |
1_555 |
4 |
1 |
270 |
24.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.064 |
67 |
|
[3CO]I:301 |
1 |
1 |
125 |
f |
[TLA]I:3003 |
x,y,z |
1_555 |
5 |
1 |
268 |
24.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.064 |
68 |
|
[3CO]L:301 |
1 |
1 |
125 |
f |
[TLA]L:3004 |
x,y,z |
1_555 |
5 |
1 |
268 |
23.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.064 |
69 |
|
[3CO]F:301 |
1 |
1 |
125 |
f |
[TLA]E:3002 |
x,y,z |
1_555 |
5 |
1 |
268 |
22.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
23.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.064 |
| 32 |
70 |
|
J |
2 |
1 |
8120 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
3 |
12830 |
18.0 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 33 |
71 |
|
I |
2 |
2 |
12800 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
8120 |
15.9 |
-0.5 |
0.311 |
0 |
0 |
0 |
0.000 |
| 34 |
72 |
|
C |
4 |
4 |
12942 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
7956 |
15.9 |
-0.4 |
0.450 |
0 |
0 |
0 |
0.000 |
| 35 |
73 |
|
[3CO]L:301 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
12852 |
9.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
74 |
|
[3CO]I:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
13378 |
9.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
[3CO]C:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12893 |
8.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
76 |
|
[3CO]F:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12756 |
8.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
9.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 36 |
77 |
|
[3CO]L:301 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8120 |
9.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
78 |
|
[3CO]C:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7993 |
9.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
79 |
|
[3CO]I:301 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8034 |
9.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
80 |
|
[3CO]F:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7956 |
8.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
9.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 37 |
81 |
|
[TLA]E:3002 |
1 |
1 |
268 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7956 |
3.1 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
| 38 |
82 |
|
[TLA]C:3001 |
1 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7993 |
0.2 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
|