| ## |
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 |
|
J |
84 |
23 |
5211 |
◊ |
I |
x,y,z |
1_555 |
80 |
21 |
5189 |
720.7 |
-12.2 |
0.181 |
7 |
0 |
0 |
1.000 |
2 |
|
H |
79 |
21 |
5155 |
◊ |
G |
x,y,z |
1_555 |
84 |
23 |
5244 |
719.4 |
-11.7 |
0.212 |
7 |
0 |
0 |
1.000 |
3 |
|
B |
76 |
21 |
5098 |
◊ |
A |
x,y,z |
1_555 |
85 |
24 |
5247 |
709.4 |
-11.4 |
0.222 |
7 |
0 |
0 |
1.000 |
4 |
|
F |
79 |
23 |
5183 |
◊ |
E |
x,y,z |
1_555 |
76 |
21 |
5092 |
689.1 |
-10.9 |
0.216 |
8 |
0 |
0 |
1.000 |
5 |
|
D |
74 |
21 |
5125 |
◊ |
C |
x,y,z |
1_555 |
74 |
20 |
4877 |
658.6 |
-9.8 |
0.232 |
8 |
0 |
0 |
1.000 |
| Average: |
699.4 |
-11.2 |
0.212 |
7 |
0 |
0 |
1.000 |
| 2 |
6 |
|
I |
61 |
19 |
5189 |
◊ |
G |
x,y,z |
1_555 |
51 |
12 |
5244 |
556.8 |
-1.4 |
0.628 |
11 |
9 |
0 |
0.385 |
7 |
|
E |
68 |
21 |
5092 |
◊ |
C |
x,y,z |
1_555 |
51 |
12 |
4877 |
556.6 |
-1.9 |
0.621 |
10 |
7 |
0 |
0.385 |
8 |
|
F |
51 |
12 |
5183 |
◊ |
D |
x,y,z |
1_555 |
59 |
20 |
5125 |
536.0 |
-1.7 |
0.680 |
9 |
7 |
0 |
0.385 |
9 |
|
J |
49 |
11 |
5211 |
◊ |
H |
x,y,z |
1_555 |
59 |
20 |
5155 |
532.7 |
-1.2 |
0.630 |
8 |
7 |
0 |
0.385 |
10 |
|
C |
61 |
20 |
4877 |
◊ |
A |
x,y,z |
1_555 |
47 |
11 |
5247 |
518.7 |
-1.4 |
0.592 |
6 |
4 |
0 |
0.385 |
11 |
|
D |
45 |
12 |
5125 |
◊ |
B |
x,y,z |
1_555 |
52 |
16 |
5098 |
470.3 |
-2.5 |
0.576 |
9 |
5 |
0 |
0.385 |
| Average: |
528.5 |
-1.7 |
0.621 |
9 |
7 |
0 |
0.385 |
| 3 |
12 |
|
E |
54 |
16 |
5092 |
◊ |
D |
x,y,z |
1_555 |
48 |
15 |
5125 |
469.2 |
-5.7 |
0.378 |
8 |
0 |
0 |
0.237 |
13 |
|
I |
57 |
17 |
5189 |
◊ |
H |
x,y,z |
1_555 |
48 |
14 |
5155 |
461.2 |
-2.9 |
0.603 |
7 |
0 |
0 |
0.237 |
14 |
|
C |
44 |
14 |
4877 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
5098 |
352.0 |
-3.6 |
0.428 |
7 |
0 |
0 |
0.237 |
| Average: |
427.5 |
-4.1 |
0.470 |
7 |
0 |
0 |
0.237 |
| 4 |
15 |
|
H |
51 |
12 |
5155 |
◊ |
F |
x,y,z |
1_555 |
51 |
16 |
5183 |
445.7 |
-1.3 |
0.681 |
8 |
3 |
0 |
0.341 |
16 |
|
B |
49 |
11 |
5098 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
48 |
17 |
5211 |
419.8 |
-2.0 |
0.635 |
10 |
2 |
0 |
0.341 |
17 |
|
A |
50 |
17 |
5247 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
48 |
12 |
5189 |
418.5 |
-2.9 |
0.598 |
8 |
3 |
0 |
0.341 |
18 |
|
G |
48 |
16 |
5244 |
◊ |
E |
x,y,z |
1_555 |
45 |
10 |
5092 |
406.6 |
-1.8 |
0.653 |
7 |
2 |
0 |
0.341 |
| Average: |
422.7 |
-2.0 |
0.642 |
8 |
3 |
0 |
0.341 |
| 5 |
19 |
|
A |
46 |
13 |
5247 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
42 |
12 |
5211 |
418.4 |
-2.7 |
0.611 |
12 |
0 |
0 |
0.276 |
20 |
|
G |
43 |
12 |
5244 |
◊ |
F |
x,y,z |
1_555 |
42 |
12 |
5183 |
410.3 |
-1.0 |
0.732 |
17 |
0 |
0 |
0.276 |
| Average: |
414.4 |
-1.8 |
0.671 |
15 |
0 |
0 |
0.276 |
| 6 |
21 |
|
H |
23 |
6 |
5155 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
28 |
8 |
5092 |
259.8 |
2.1 |
0.879 |
7 |
2 |
0 |
0.000 |
| 7 |
22 |
|
B |
26 |
6 |
5098 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
6 |
4877 |
201.6 |
0.9 |
0.788 |
4 |
1 |
0 |
0.000 |
| 8 |
23 |
|
[HEZ]F:101 |
8 |
1 |
284 |
◊ |
H |
x,y,z |
1_555 |
21 |
9 |
5155 |
155.2 |
3.8 |
0.016 |
0 |
0 |
0 |
0.000 |
| 9 |
24 |
|
[HEZ]E:102 |
8 |
1 |
286 |
◊ |
E |
x,y,z |
1_555 |
19 |
9 |
5092 |
148.2 |
3.8 |
0.010 |
2 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[HEZ]E:103 |
8 |
1 |
287 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
4877 |
142.9 |
3.4 |
0.006 |
1 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[HEZ]B:101 |
8 |
1 |
285 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
5098 |
141.7 |
3.1 |
0.055 |
0 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[HEZ]C:101 |
8 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
4877 |
137.4 |
4.1 |
0.004 |
2 |
0 |
0 |
0.000 |
| 13 |
28 |
|
F |
17 |
5 |
5183 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
5 |
5244 |
125.8 |
-0.4 |
0.658 |
0 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[HEZ]E:101 |
8 |
1 |
290 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
5092 |
125.8 |
3.8 |
0.843 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[HEZ]H:101 |
8 |
1 |
285 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
5155 |
125.3 |
3.8 |
0.033 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[HEZ]H:102 |
8 |
1 |
291 |
f |
H |
x,y,z |
1_555 |
25 |
8 |
5155 |
122.3 |
2.9 |
0.767 |
1 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[HEZ]A:101 |
8 |
1 |
289 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
17 |
8 |
5189 |
122.0 |
2.7 |
0.003 |
0 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[HEZ]H:102 |
7 |
1 |
291 |
◊ |
J |
x,y,z |
1_555 |
18 |
8 |
5211 |
120.8 |
2.5 |
0.004 |
0 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[HEZ]A:102 |
8 |
1 |
289 |
◊ |
I |
-x+3/2,-y+1,z-1/2 |
2_664 |
14 |
4 |
5189 |
109.2 |
3.6 |
0.809 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[HEZ]E:103 |
8 |
1 |
287 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
5092 |
109.1 |
3.1 |
0.787 |
1 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[HEZ]A:101 |
8 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
5247 |
97.8 |
2.4 |
0.804 |
2 |
0 |
0 |
0.000 |
| 22 |
37 |
|
H |
8 |
3 |
5155 |
◊ |
I |
x-1,y,z |
1_455 |
13 |
4 |
5189 |
91.2 |
0.9 |
0.801 |
2 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[ACT]F:102 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
5183 |
90.6 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
G |
9 |
3 |
5244 |
x |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
5 |
5244 |
89.1 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[ACT]I:102 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
14 |
6 |
5189 |
88.1 |
-0.6 |
0.666 |
1 |
0 |
0 |
0.171 |
| 26 |
41 |
|
[HEZ]F:101 |
7 |
1 |
284 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
5183 |
86.5 |
2.7 |
0.811 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
H |
10 |
5 |
5155 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
4 |
5244 |
79.7 |
0.5 |
0.760 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[HEZ]E:102 |
6 |
1 |
286 |
f |
G |
x,y,z |
1_555 |
13 |
4 |
5244 |
76.7 |
2.1 |
0.820 |
0 |
0 |
0 |
0.000 |
44 |
|
[HEZ]B:101 |
6 |
1 |
285 |
f |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
11 |
4 |
5211 |
75.5 |
2.0 |
0.800 |
0 |
0 |
0 |
0.000 |
| Average: |
76.1 |
2.1 |
0.810 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[ACT]I:101 |
4 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
5155 |
63.2 |
-0.5 |
0.688 |
0 |
0 |
0 |
0.014 |
| 30 |
46 |
|
[ACT]I:101 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
5189 |
58.9 |
-0.2 |
0.667 |
1 |
0 |
0 |
0.103 |
| 31 |
47 |
|
F |
4 |
1 |
5183 |
◊ |
I |
x-1,y,z |
1_455 |
7 |
2 |
5189 |
55.0 |
-0.6 |
0.373 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
[HEZ]H:101 |
4 |
1 |
285 |
f |
I |
x-1,y,z |
1_455 |
5 |
2 |
5189 |
53.9 |
1.5 |
0.765 |
1 |
0 |
0 |
0.000 |
| 33 |
49 |
|
[HEZ]A:102 |
5 |
1 |
289 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
3 |
5211 |
48.8 |
0.4 |
0.446 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[HEZ]A:102 |
4 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
5247 |
48.4 |
1.0 |
0.708 |
0 |
0 |
0 |
0.000 |
| 35 |
51 |
|
F |
2 |
1 |
5183 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
3 |
5244 |
42.2 |
-0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
[HEZ]A:102 |
3 |
1 |
289 |
◊ |
[HEZ]A:101 |
x,y,z |
1_555 |
2 |
1 |
289 |
35.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[HEZ]C:101 |
2 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
5247 |
28.9 |
1.3 |
0.992 |
1 |
0 |
0 |
0.000 |
| 38 |
54 |
|
A |
1 |
1 |
5247 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
4877 |
18.9 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
[ACT]F:102 |
3 |
1 |
183 |
f |
G |
x-1,y,z |
1_455 |
3 |
1 |
5244 |
16.4 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
B |
3 |
1 |
5098 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
5247 |
10.6 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[ACT]I:101 |
1 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
5244 |
9.6 |
-0.2 |
0.554 |
0 |
0 |
0 |
0.005 |
| 42 |
58 |
|
H |
1 |
1 |
5155 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
5183 |
4.1 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[HEZ]A:101 |
1 |
1 |
289 |
f |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
5211 |
3.1 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
[HEZ]E:103 |
1 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
5125 |
2.1 |
0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
C |
1 |
1 |
4877 |
◊ |
J |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
5211 |
0.9 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|