| ## |
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 |
168 |
48 |
9637 |
◊ |
B |
x,y,z |
1_555 |
167 |
48 |
9770 |
1665.8 |
-34.1 |
0.003 |
18 |
1 |
0 |
1.000 |
2 |
|
D |
161 |
47 |
9475 |
◊ |
A |
x,y,z |
1_555 |
166 |
49 |
9651 |
1635.4 |
-32.4 |
0.003 |
19 |
1 |
0 |
1.000 |
| Average: |
1650.6 |
-33.2 |
0.003 |
19 |
1 |
0 |
1.000 |
| 2 |
3 |
|
C |
121 |
27 |
9637 |
◊ |
A |
x,y,z |
1_555 |
120 |
28 |
9651 |
1117.8 |
-4.7 |
0.687 |
20 |
3 |
0 |
0.417 |
4 |
|
D |
112 |
26 |
9475 |
◊ |
B |
x,y,z |
1_555 |
119 |
29 |
9770 |
1059.4 |
-6.0 |
0.639 |
17 |
2 |
0 |
0.417 |
| Average: |
1088.6 |
-5.3 |
0.663 |
19 |
3 |
0 |
0.417 |
| 3 |
5 |
|
B |
56 |
17 |
9770 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
43 |
10 |
9651 |
417.3 |
-2.2 |
0.626 |
2 |
3 |
0 |
0.000 |
| 4 |
6 |
|
D |
34 |
7 |
9475 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
42 |
12 |
9651 |
345.7 |
0.9 |
0.804 |
8 |
2 |
0 |
0.000 |
| 5 |
7 |
|
A |
30 |
9 |
9651 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
22 |
6 |
9770 |
241.0 |
-0.6 |
0.563 |
3 |
1 |
0 |
0.000 |
| 6 |
8 |
|
[CXS]C:162 |
11 |
1 |
402 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
9637 |
154.2 |
3.0 |
0.044 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[CXS]D:162 |
10 |
1 |
403 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
9475 |
149.5 |
2.9 |
0.064 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[CXS]A:164 |
11 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
9651 |
143.5 |
2.6 |
0.027 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[CXS]B:163 |
11 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
9770 |
143.4 |
2.6 |
0.027 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
16 |
4 |
9637 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
15 |
6 |
9651 |
141.1 |
0.8 |
0.744 |
3 |
3 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]C:163 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
9637 |
114.0 |
3.3 |
0.583 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]D:164 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
9475 |
113.8 |
3.2 |
0.568 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:167 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
9651 |
113.6 |
3.4 |
0.583 |
3 |
0 |
0 |
0.000 |
| Average: |
113.7 |
3.3 |
0.575 |
3 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:165 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
9770 |
113.6 |
3.4 |
0.609 |
3 |
0 |
0 |
0.000 |
| 14 |
17 |
|
D |
11 |
3 |
9475 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
10 |
4 |
9637 |
110.9 |
0.1 |
0.684 |
2 |
2 |
0 |
0.000 |
| 15 |
18 |
|
D |
16 |
5 |
9475 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
11 |
3 |
9770 |
102.4 |
-2.7 |
0.179 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]C:164 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9637 |
99.5 |
2.9 |
0.455 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]B:166 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9770 |
96.4 |
3.0 |
0.460 |
3 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]D:163 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
9475 |
96.2 |
2.9 |
0.442 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[CXS]C:162 |
8 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
9770 |
94.2 |
3.4 |
0.165 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[CXS]A:164 |
8 |
1 |
401 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
9475 |
93.5 |
3.4 |
0.170 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[CXS]D:162 |
8 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
9651 |
91.9 |
3.3 |
0.170 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[CXS]B:163 |
8 |
1 |
402 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
9637 |
89.3 |
3.4 |
0.169 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[EDO]B:170 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9770 |
85.7 |
1.8 |
0.212 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]A:166 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9651 |
83.6 |
3.2 |
0.330 |
2 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:165 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9475 |
78.5 |
1.4 |
0.723 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]B:168 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
9770 |
72.0 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[CL]A:163 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9651 |
69.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.267 |
| 28 |
31 |
|
A |
5 |
3 |
9651 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
4 |
9637 |
69.5 |
0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[EDO]B:167 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9770 |
60.2 |
1.0 |
0.601 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[CL]A:162 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9651 |
58.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.264 |
| 31 |
34 |
|
[EDO]B:164 |
4 |
1 |
185 |
◊ |
[CXS]B:163 |
x,y,z |
1_555 |
8 |
1 |
402 |
58.6 |
2.5 |
0.018 |
1 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]B:167 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
9637 |
57.4 |
1.3 |
0.718 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
A |
7 |
3 |
9651 |
◊ |
[EDO]B:169 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
185 |
53.4 |
0.8 |
0.574 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
D |
5 |
3 |
9475 |
◊ |
[EDO]B:169 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
185 |
53.0 |
1.6 |
0.252 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[CL]B:162 |
1 |
1 |
125 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
9 |
5 |
9651 |
48.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.217 |
| 36 |
39 |
|
[EDO]A:165 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
9651 |
47.9 |
1.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
D |
7 |
2 |
9475 |
◊ |
[EDO]A:166 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
184 |
47.1 |
1.5 |
0.884 |
1 |
0 |
0 |
0.000 |
| 38 |
41 |
|
A |
4 |
3 |
9651 |
f |
[EDO]B:168 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
183 |
41.1 |
0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[EDO]B:164 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9770 |
40.9 |
0.5 |
0.366 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]B:169 |
4 |
1 |
185 |
◊ |
[EDO]B:168 |
x,y,z |
1_555 |
3 |
1 |
183 |
40.4 |
1.9 |
0.354 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]B:169 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
9770 |
33.8 |
0.3 |
0.730 |
1 |
0 |
0 |
0.008 |
| 42 |
45 |
|
[CL]B:162 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9475 |
28.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
A |
1 |
1 |
9651 |
◊ |
[EDO]B:164 |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
185 |
28.1 |
0.4 |
0.258 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[CXS]D:162 |
2 |
1 |
403 |
f |
[CXS]A:164 |
x,y,z |
1_555 |
3 |
1 |
401 |
23.2 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[CXS]C:162 |
2 |
1 |
402 |
f |
[CXS]B:163 |
x,y,z |
1_555 |
3 |
1 |
402 |
23.1 |
1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
C |
5 |
1 |
9637 |
◊ |
[CL]A:163 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
125 |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[CL]B:162 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9770 |
22.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 48 |
51 |
|
B |
4 |
2 |
9770 |
◊ |
[CL]A:162 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
125 |
18.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
B |
2 |
1 |
9770 |
f |
[EDO]A:166 |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
184 |
16.1 |
0.3 |
0.884 |
1 |
0 |
0 |
0.006 |
| 50 |
53 |
|
[EDO]B:164 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
9637 |
15.8 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[CL]A:162 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9475 |
15.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| 52 |
55 |
|
[EDO]D:163 |
2 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
9770 |
13.3 |
0.6 |
0.854 |
0 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[CL]A:163 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9637 |
9.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 54 |
57 |
|
C |
1 |
1 |
9637 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9637 |
6.9 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
| 55 |
58 |
|
D |
1 |
1 |
9475 |
f |
[CXS]A:164 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
401 |
1.3 |
0.1 |
0.233 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
B |
1 |
1 |
9770 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
9475 |
1.0 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| 57 |
60 |
|
[EDO]A:166 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9475 |
0.6 |
0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
|