| ## |
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 |
209 |
57 |
9120 |
◊ |
E |
x,y,z |
1_555 |
211 |
57 |
11145 |
2129.7 |
-30.1 |
0.039 |
25 |
9 |
0 |
0.334 |
2 |
|
B |
206 |
57 |
9151 |
◊ |
A |
x,y,z |
1_555 |
213 |
57 |
10646 |
2066.4 |
-29.8 |
0.023 |
22 |
8 |
0 |
0.334 |
3 |
|
D |
206 |
57 |
9200 |
◊ |
C |
x,y,z |
1_555 |
211 |
57 |
10720 |
2049.1 |
-30.5 |
0.021 |
20 |
9 |
0 |
0.334 |
| Average: |
2081.7 |
-30.1 |
0.028 |
22 |
9 |
0 |
0.334 |
| 2 |
4 |
|
E |
66 |
16 |
11145 |
x |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
85 |
23 |
11145 |
729.9 |
-8.2 |
0.193 |
8 |
2 |
0 |
0.000 |
5 |
|
C |
60 |
15 |
10720 |
x |
A |
x-1,y,z |
1_455 |
79 |
24 |
10646 |
691.0 |
-11.7 |
0.050 |
7 |
2 |
0 |
0.000 |
6 |
|
C |
85 |
26 |
10720 |
x |
A |
x,y,z |
1_555 |
61 |
16 |
10646 |
687.7 |
-12.3 |
0.030 |
7 |
2 |
0 |
0.000 |
| Average: |
702.9 |
-10.7 |
0.091 |
7 |
2 |
0 |
0.000 |
| 3 |
7 |
|
F |
48 |
14 |
9120 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
15 |
9151 |
470.9 |
-0.6 |
0.684 |
3 |
7 |
0 |
0.029 |
| 4 |
8 |
|
A |
40 |
9 |
10646 |
◊ |
E |
x-1,y,z |
1_455 |
31 |
8 |
11145 |
336.0 |
-1.2 |
0.565 |
3 |
2 |
0 |
0.003 |
| 5 |
9 |
|
D |
25 |
7 |
9200 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
37 |
11 |
9120 |
285.6 |
-0.1 |
0.660 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
D |
32 |
10 |
9200 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
22 |
5 |
9151 |
241.7 |
-1.1 |
0.542 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
21 |
5 |
10720 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
6 |
9151 |
232.6 |
-1.5 |
0.453 |
2 |
1 |
0 |
0.000 |
12 |
|
D |
27 |
6 |
9200 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
10646 |
231.1 |
-2.4 |
0.276 |
2 |
1 |
0 |
0.000 |
13 |
|
E |
23 |
6 |
11145 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
27 |
6 |
9120 |
230.2 |
-2.1 |
0.403 |
2 |
1 |
0 |
0.000 |
| Average: |
231.3 |
-2.0 |
0.377 |
2 |
1 |
0 |
0.000 |
| 8 |
14 |
|
[EPE]E:2203 |
15 |
1 |
397 |
f |
E |
x,y,z |
1_555 |
27 |
7 |
11145 |
178.8 |
4.3 |
0.066 |
2 |
0 |
0 |
0.000 |
15 |
|
[EPE]C:2202 |
14 |
1 |
405 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
10720 |
170.1 |
5.4 |
0.128 |
3 |
0 |
0 |
0.000 |
| Average: |
174.5 |
4.9 |
0.097 |
3 |
0 |
0 |
0.000 |
| 9 |
16 |
|
F |
23 |
6 |
9120 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
4 |
11145 |
167.3 |
-1.8 |
0.339 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
9 |
2 |
9151 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
10646 |
68.4 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
10 |
2 |
9200 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
10720 |
63.4 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
| Average: |
99.7 |
-0.7 |
0.478 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
C |
19 |
5 |
10720 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
23 |
10 |
10720 |
163.6 |
0.2 |
0.651 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
E |
17 |
5 |
11145 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
10646 |
151.3 |
1.3 |
0.812 |
4 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[EPE]A:2201 |
13 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
10646 |
143.9 |
4.2 |
0.070 |
3 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
14 |
4 |
10720 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
9151 |
132.6 |
-1.0 |
0.479 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
F |
10 |
4 |
9120 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
10646 |
110.1 |
1.1 |
0.817 |
2 |
4 |
0 |
0.000 |
| 15 |
24 |
|
[EPE]C:2202 |
8 |
1 |
405 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
9200 |
102.9 |
1.1 |
0.057 |
1 |
0 |
0 |
0.000 |
25 |
|
[EPE]E:2203 |
8 |
1 |
397 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
9120 |
94.7 |
0.4 |
0.039 |
0 |
0 |
0 |
0.000 |
| Average: |
98.8 |
0.7 |
0.048 |
1 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[EPE]A:2201 |
10 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
9151 |
101.8 |
1.1 |
0.025 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
E |
11 |
3 |
11145 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
9151 |
97.5 |
1.0 |
0.777 |
1 |
1 |
0 |
0.000 |
| 18 |
28 |
|
D |
12 |
3 |
9200 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
3 |
11145 |
92.8 |
-1.7 |
0.252 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
C |
7 |
4 |
10720 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
5 |
9120 |
75.1 |
0.1 |
0.676 |
1 |
2 |
0 |
0.000 |
| 20 |
30 |
|
D |
11 |
6 |
9200 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
4 |
10646 |
75.0 |
-1.0 |
0.453 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
C |
4 |
1 |
10720 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
9200 |
57.0 |
2.2 |
0.929 |
1 |
1 |
0 |
0.000 |
32 |
|
A |
4 |
2 |
10646 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
9151 |
54.2 |
2.3 |
0.913 |
1 |
2 |
0 |
0.000 |
| Average: |
55.6 |
2.3 |
0.921 |
1 |
2 |
0 |
0.000 |
| 22 |
33 |
|
E |
7 |
4 |
11145 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
6 |
9151 |
56.4 |
0.9 |
0.798 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
10646 |
50.0 |
-38.3 |
0.000 |
0 |
0 |
0 |
0.746 |
35 |
|
[ZN]F:1006 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
4 |
4 |
9120 |
50.0 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.746 |
36 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
9151 |
49.8 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.746 |
37 |
|
[ZN]C:1003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
10720 |
49.7 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.746 |
38 |
|
[ZN]D:1004 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
9200 |
49.3 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.746 |
39 |
|
[ZN]E:1005 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
4 |
11145 |
49.2 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.746 |
| Average: |
49.7 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.746 |
| 24 |
40 |
|
[CA]C:1001 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10720 |
43.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.070 |
41 |
|
[CA]A:1007 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10646 |
33.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
38.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.070 |
| 25 |
42 |
|
[CA]F:1009 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
9120 |
41.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.094 |
| 26 |
43 |
|
[CA]A:1000 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10646 |
38.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
|
[CA]E:1002 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
11145 |
33.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
35.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.050 |
| 27 |
45 |
|
[CA]A:1007 |
1 |
1 |
85 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
3 |
11145 |
35.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.056 |
46 |
|
[CA]B:1008 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9151 |
31.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
33.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| 28 |
47 |
|
C |
4 |
3 |
10720 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
2 |
10646 |
34.3 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
C |
4 |
1 |
10720 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
11145 |
33.2 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
F |
3 |
1 |
9120 |
f |
[CA]B:1008 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
85 |
29.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 31 |
50 |
|
E |
7 |
2 |
11145 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
3 |
9120 |
26.7 |
0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[CA]C:1001 |
1 |
1 |
85 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
10720 |
24.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
C |
3 |
2 |
10720 |
◊ |
E |
x-2,y,z |
1_355 |
3 |
2 |
11145 |
18.4 |
0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
[CA]F:1009 |
1 |
1 |
85 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
9151 |
17.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| 35 |
54 |
|
[CA]A:1000 |
1 |
1 |
85 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
2 |
11145 |
8.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 36 |
55 |
|
C |
4 |
2 |
10720 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
9120 |
7.8 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
1 |
1 |
9200 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
10646 |
5.4 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
6.6 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 37 |
57 |
|
D |
2 |
2 |
9200 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10720 |
4.8 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
[EPE]E:2203 |
1 |
1 |
397 |
f |
[ZN]E:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
|
[EPE]C:2202 |
1 |
1 |
405 |
f |
[ZN]C:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
2.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 39 |
60 |
|
A |
1 |
1 |
10646 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10720 |
4.6 |
0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
| 40 |
61 |
|
[CA]E:1002 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10646 |
4.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
62 |
|
[EPE]A:2201 |
1 |
1 |
403 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 42 |
63 |
|
D |
2 |
1 |
9200 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
11145 |
0.8 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|