| ## |
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 |
|
F |
105 |
27 |
9060 |
◊ |
E |
x,y,z |
1_555 |
99 |
27 |
8653 |
993.3 |
-13.7 |
0.067 |
7 |
0 |
0 |
1.000 |
| 2 |
2 |
|
D |
99 |
27 |
8522 |
◊ |
C |
x,y,z |
1_555 |
98 |
27 |
8731 |
943.8 |
-14.0 |
0.075 |
8 |
0 |
0 |
0.000 |
3 |
|
B |
101 |
27 |
8955 |
◊ |
A |
x,y,z |
1_555 |
100 |
27 |
8768 |
940.5 |
-14.3 |
0.052 |
6 |
0 |
0 |
0.000 |
| Average: |
942.2 |
-14.2 |
0.063 |
7 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
66 |
16 |
8731 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
67 |
16 |
8768 |
638.2 |
-5.4 |
0.318 |
9 |
0 |
0 |
0.000 |
5 |
|
E |
42 |
10 |
8653 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
42 |
10 |
8653 |
322.6 |
-5.2 |
0.218 |
0 |
2 |
0 |
0.000 |
| Average: |
480.4 |
-5.3 |
0.268 |
5 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
51 |
14 |
8955 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
54 |
14 |
9060 |
479.6 |
-1.3 |
0.541 |
10 |
2 |
0 |
0.000 |
| 5 |
7 |
|
C |
24 |
9 |
8731 |
◊ |
F |
x-1,y,z |
1_455 |
24 |
8 |
9060 |
212.5 |
2.5 |
0.844 |
4 |
7 |
0 |
0.000 |
| 6 |
8 |
|
D |
25 |
9 |
8522 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
27 |
11 |
8653 |
205.9 |
0.7 |
0.683 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
F |
19 |
6 |
9060 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
23 |
5 |
8731 |
198.2 |
1.2 |
0.735 |
7 |
1 |
0 |
0.000 |
| 8 |
10 |
|
B |
23 |
9 |
8955 |
◊ |
A |
-x,y,-z |
2_555 |
20 |
9 |
8768 |
194.0 |
-0.2 |
0.585 |
2 |
1 |
0 |
0.000 |
11 |
|
C |
15 |
7 |
8731 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
23 |
7 |
9060 |
171.3 |
-1.0 |
0.472 |
2 |
1 |
0 |
0.000 |
| Average: |
182.7 |
-0.6 |
0.528 |
2 |
1 |
0 |
0.000 |
| 9 |
12 |
|
A |
22 |
8 |
8768 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
20 |
4 |
8955 |
192.1 |
2.0 |
0.773 |
4 |
3 |
0 |
0.000 |
| 10 |
13 |
|
B |
27 |
12 |
8955 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
18 |
7 |
8768 |
180.7 |
3.5 |
0.893 |
1 |
3 |
0 |
0.000 |
| 11 |
14 |
|
[DDQ]F:404 |
12 |
1 |
451 |
◊ |
F |
x,y,z |
1_555 |
34 |
6 |
9060 |
180.3 |
0.4 |
0.059 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
D |
16 |
8 |
8522 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
5 |
8653 |
170.8 |
1.3 |
0.760 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[CHT]C:402 |
6 |
1 |
265 |
f |
C |
x,y,z |
1_555 |
34 |
8 |
8731 |
164.2 |
5.6 |
0.291 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
F |
20 |
8 |
9060 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
8731 |
156.6 |
1.3 |
0.756 |
2 |
1 |
0 |
0.000 |
| 15 |
18 |
|
C |
19 |
11 |
8731 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
8768 |
155.0 |
3.9 |
0.920 |
3 |
2 |
0 |
0.000 |
| 16 |
19 |
|
[CHT]B:403 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
31 |
6 |
8955 |
151.2 |
4.9 |
0.273 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[CHT]C:401 |
6 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
27 |
7 |
8731 |
150.1 |
5.2 |
0.171 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[CHT]A:402 |
6 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
29 |
6 |
8768 |
149.7 |
5.8 |
0.240 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[CHT]A:403 |
6 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
29 |
6 |
8768 |
149.3 |
4.9 |
0.209 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[CHT]F:403 |
6 |
1 |
264 |
◊ |
F |
x,y,z |
1_555 |
32 |
6 |
9060 |
148.4 |
4.8 |
0.238 |
1 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[CHT]F:402 |
6 |
1 |
264 |
f |
F |
x,y,z |
1_555 |
33 |
6 |
9060 |
147.5 |
4.9 |
0.210 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[CHT]C:403 |
6 |
1 |
265 |
f |
C |
x,y,z |
1_555 |
32 |
6 |
8731 |
145.5 |
4.7 |
0.204 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[CHT]B:402 |
6 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
29 |
6 |
8955 |
144.5 |
5.1 |
0.206 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[CHT]D:403 |
6 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
32 |
7 |
8522 |
144.2 |
4.5 |
0.165 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[CHT]D:404 |
6 |
1 |
267 |
◊ |
D |
x,y,z |
1_555 |
27 |
5 |
8522 |
142.5 |
4.3 |
0.116 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[CHT]B:401 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
8955 |
141.8 |
5.1 |
0.139 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[CHT]A:401 |
6 |
1 |
265 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
8768 |
141.6 |
4.8 |
0.174 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[CHT]F:400 |
6 |
1 |
264 |
◊ |
F |
x,y,z |
1_555 |
24 |
8 |
9060 |
140.3 |
4.4 |
0.114 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[CHT]F:401 |
6 |
1 |
264 |
◊ |
F |
x,y,z |
1_555 |
27 |
6 |
9060 |
140.3 |
4.7 |
0.127 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[CHT]C:404 |
6 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
26 |
4 |
8731 |
138.1 |
4.2 |
0.116 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[CHT]D:402 |
6 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
26 |
6 |
8522 |
136.0 |
4.6 |
0.164 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[CHT]B:404 |
6 |
1 |
266 |
◊ |
B |
x,y,z |
1_555 |
28 |
5 |
8955 |
135.7 |
4.1 |
0.115 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
B |
14 |
7 |
8955 |
◊ |
B |
-x,y,-z |
2_555 |
14 |
7 |
8955 |
134.2 |
-1.5 |
0.369 |
0 |
0 |
0 |
0.000 |
37 |
|
D |
15 |
8 |
8522 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
14 |
6 |
9060 |
128.6 |
-1.6 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
131.4 |
-1.5 |
0.372 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[CHT]A:404 |
6 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
30 |
5 |
8768 |
132.5 |
4.6 |
0.153 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[CHT]E:414 |
6 |
1 |
265 |
◊ |
E |
x,y,z |
1_555 |
27 |
4 |
8653 |
128.1 |
4.0 |
0.102 |
1 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[TRS]F:1319 |
7 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
9060 |
104.8 |
2.0 |
0.745 |
3 |
0 |
0 |
0.000 |
| 37 |
41 |
|
B |
10 |
2 |
8955 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
3 |
8731 |
89.1 |
-1.1 |
0.411 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
B |
9 |
3 |
8955 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
11 |
6 |
8768 |
84.6 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
8 |
4 |
8731 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
8522 |
65.3 |
-0.9 |
0.385 |
0 |
0 |
0 |
0.000 |
| Average: |
74.9 |
-1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
E |
10 |
5 |
8653 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
8522 |
73.8 |
0.9 |
0.730 |
1 |
1 |
0 |
0.000 |
| 40 |
45 |
|
B |
8 |
3 |
8955 |
◊ |
[TRS]F:1319 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
258 |
66.1 |
1.7 |
0.910 |
2 |
0 |
0 |
0.000 |
| 41 |
46 |
|
C |
7 |
3 |
8731 |
f |
[CHT]F:403 |
x-1/2,y-1/2,z |
3_445 |
5 |
1 |
264 |
64.0 |
2.6 |
0.878 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[CHT]B:403 |
5 |
1 |
264 |
f |
A |
-x,y,-z |
2_555 |
8 |
3 |
8768 |
63.1 |
2.3 |
0.846 |
1 |
0 |
0 |
0.000 |
| 43 |
48 |
|
B |
10 |
4 |
8955 |
◊ |
A |
-x+1,y,-z |
2_655 |
6 |
2 |
8768 |
58.2 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
B |
8 |
3 |
8955 |
◊ |
B |
-x+1,y,-z |
2_655 |
8 |
3 |
8955 |
51.8 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[CHT]D:403 |
4 |
1 |
264 |
f |
E |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
8653 |
48.9 |
1.9 |
0.828 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
F |
4 |
3 |
9060 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
8 |
4 |
8522 |
46.4 |
1.5 |
0.813 |
1 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[CHT]B:404 |
4 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8768 |
45.7 |
1.5 |
0.836 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
D |
4 |
2 |
8522 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
8522 |
45.6 |
-0.8 |
0.313 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
[CHT]E:414 |
4 |
1 |
265 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
9060 |
43.5 |
0.7 |
0.758 |
1 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[TRS]F:1319 |
5 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
8731 |
40.6 |
0.9 |
0.797 |
1 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[CHT]A:404 |
3 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
8955 |
39.5 |
1.4 |
0.843 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
F |
7 |
3 |
9060 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8522 |
36.1 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
F |
4 |
2 |
9060 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
3 |
1 |
8653 |
36.1 |
0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
[CHT]B:401 |
3 |
1 |
264 |
f |
F |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
9060 |
35.9 |
0.8 |
0.519 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
[CHT]F:400 |
3 |
1 |
264 |
f |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
8731 |
30.9 |
1.3 |
0.891 |
0 |
0 |
0 |
0.000 |
| 56 |
61 |
|
[DDQ]F:404 |
3 |
1 |
451 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
8653 |
30.7 |
0.3 |
0.237 |
0 |
0 |
0 |
0.000 |
| 57 |
62 |
|
[CHT]A:404 |
3 |
1 |
264 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
8768 |
30.7 |
0.7 |
0.848 |
1 |
0 |
0 |
0.000 |
| 58 |
63 |
|
[CHT]D:404 |
2 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
8731 |
30.5 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
64 |
|
C |
4 |
2 |
8731 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
8731 |
27.2 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
4 |
2 |
8768 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
8768 |
27.2 |
0.5 |
0.753 |
1 |
0 |
0 |
0.000 |
| Average: |
27.2 |
0.2 |
0.635 |
1 |
0 |
0 |
0.000 |
| 60 |
66 |
|
B |
4 |
1 |
8955 |
◊ |
[CHT]F:401 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
264 |
25.6 |
0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
| 61 |
67 |
|
E |
7 |
1 |
8653 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
9060 |
25.5 |
-0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
| 62 |
68 |
|
[CHT]C:404 |
2 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8522 |
23.4 |
1.1 |
0.886 |
0 |
0 |
0 |
0.000 |
| 63 |
69 |
|
[CHT]D:404 |
4 |
1 |
267 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
9060 |
21.8 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
| 64 |
70 |
|
C |
3 |
1 |
8731 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8955 |
21.7 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
1 |
1 |
8522 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8768 |
1.1 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
| Average: |
11.4 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
| 65 |
72 |
|
C |
3 |
2 |
8731 |
f |
[CHT]A:401 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
265 |
19.8 |
0.3 |
0.816 |
1 |
0 |
0 |
0.000 |
| 66 |
73 |
|
[CHT]F:401 |
2 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
8731 |
17.6 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
| 67 |
74 |
|
C |
2 |
1 |
8731 |
f |
[CHT]C:404 |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
264 |
14.6 |
0.6 |
0.870 |
0 |
0 |
0 |
0.000 |
| 68 |
75 |
|
[CHT]A:404 |
1 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
8731 |
11.7 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
| 69 |
76 |
|
[CHT]C:401 |
1 |
1 |
262 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
8768 |
6.9 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
| 70 |
77 |
|
E |
1 |
1 |
8653 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
8522 |
3.4 |
-0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
| 71 |
78 |
|
B |
1 |
1 |
8955 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
8955 |
3.3 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
| 72 |
79 |
|
E |
2 |
2 |
8653 |
◊ |
E |
-x+2,y,-z+1 |
2_756 |
2 |
2 |
8653 |
3.3 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
|