| ## |
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 |
141 |
33 |
8687 |
◊ |
E |
x,y,z |
1_555 |
171 |
44 |
8579 |
1527.8 |
-21.5 |
0.054 |
18 |
8 |
0 |
0.633 |
2 |
|
C |
140 |
33 |
8633 |
◊ |
B |
x,y,z |
1_555 |
174 |
43 |
8677 |
1511.1 |
-22.5 |
0.039 |
19 |
8 |
0 |
0.633 |
3 |
|
E |
131 |
31 |
8579 |
◊ |
D |
x,y,z |
1_555 |
173 |
43 |
8659 |
1468.6 |
-22.8 |
0.025 |
20 |
8 |
0 |
0.633 |
4 |
|
C |
171 |
43 |
8633 |
◊ |
A |
x,y,z |
1_555 |
133 |
31 |
8690 |
1456.3 |
-21.7 |
0.053 |
19 |
7 |
0 |
0.633 |
5 |
|
F |
176 |
44 |
8687 |
◊ |
D |
x,y,z |
1_555 |
132 |
31 |
8659 |
1446.1 |
-21.0 |
0.036 |
19 |
9 |
0 |
0.633 |
6 |
|
B |
133 |
32 |
8677 |
◊ |
A |
x,y,z |
1_555 |
173 |
44 |
8690 |
1445.7 |
-21.6 |
0.035 |
17 |
8 |
0 |
0.633 |
| Average: |
1475.9 |
-21.8 |
0.040 |
19 |
8 |
0 |
0.633 |
| 2 |
7 |
|
F |
57 |
19 |
8687 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
8677 |
524.2 |
4.4 |
0.929 |
12 |
7 |
0 |
0.000 |
8 |
|
A |
59 |
19 |
8690 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
57 |
19 |
8579 |
520.5 |
4.6 |
0.934 |
11 |
7 |
0 |
0.000 |
9 |
|
C |
56 |
20 |
8633 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
57 |
19 |
8659 |
506.2 |
3.7 |
0.907 |
10 |
7 |
0 |
0.000 |
| Average: |
517.0 |
4.2 |
0.924 |
11 |
7 |
0 |
0.000 |
| 3 |
10 |
|
[DUP]E:1131 |
20 |
1 |
556 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
8579 |
214.0 |
1.4 |
0.667 |
3 |
0 |
0 |
0.000 |
11 |
|
[DUP]F:1131 |
19 |
1 |
555 |
◊ |
F |
x,y,z |
1_555 |
29 |
11 |
8687 |
212.6 |
1.4 |
0.677 |
3 |
0 |
0 |
0.000 |
12 |
|
[DUP]C:1131 |
20 |
1 |
555 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
8633 |
212.3 |
1.6 |
0.679 |
4 |
0 |
0 |
0.000 |
| Average: |
213.0 |
1.5 |
0.674 |
3 |
0 |
0 |
0.001 |
| 4 |
13 |
|
[DUP]A:1131 |
17 |
1 |
574 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
8690 |
208.7 |
2.1 |
0.629 |
3 |
0 |
0 |
0.000 |
14 |
|
[DUP]D:1131 |
17 |
1 |
576 |
◊ |
D |
x,y,z |
1_555 |
29 |
11 |
8659 |
208.1 |
2.0 |
0.595 |
3 |
0 |
0 |
0.000 |
15 |
|
[DUP]B:1131 |
17 |
1 |
572 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
8677 |
206.3 |
1.9 |
0.595 |
3 |
0 |
0 |
0.000 |
| Average: |
207.7 |
2.0 |
0.606 |
3 |
0 |
0 |
0.000 |
| 5 |
16 |
|
[DUP]F:1131 |
16 |
1 |
555 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
8579 |
134.4 |
-3.8 |
0.348 |
5 |
0 |
0 |
0.081 |
17 |
|
[DUP]E:1131 |
15 |
1 |
556 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
8659 |
133.5 |
-3.9 |
0.328 |
5 |
0 |
0 |
0.081 |
18 |
|
[DUP]C:1131 |
16 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
8677 |
133.1 |
-3.8 |
0.340 |
6 |
0 |
0 |
0.081 |
| Average: |
133.7 |
-3.9 |
0.339 |
5 |
0 |
0 |
0.081 |
| 6 |
19 |
|
[DUP]A:1131 |
9 |
1 |
574 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
8633 |
103.9 |
0.1 |
0.589 |
3 |
0 |
0 |
0.017 |
20 |
|
[DUP]D:1131 |
10 |
1 |
576 |
f |
F |
x,y,z |
1_555 |
15 |
5 |
8687 |
101.3 |
0.1 |
0.590 |
1 |
0 |
0 |
0.017 |
21 |
|
[DUP]B:1131 |
9 |
1 |
572 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
8690 |
99.7 |
0.1 |
0.605 |
3 |
0 |
0 |
0.017 |
| Average: |
101.6 |
0.1 |
0.595 |
2 |
0 |
0 |
0.017 |
| 7 |
22 |
|
A |
19 |
7 |
8690 |
◊ |
[GOL]E:1132 |
x-1/2,-y+1/2,-z-1 |
4_454 |
6 |
1 |
225 |
98.8 |
-0.3 |
0.550 |
1 |
0 |
0 |
0.000 |
23 |
|
C |
19 |
6 |
8633 |
◊ |
[GOL]D:1132 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
223 |
98.5 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
24 |
|
[GOL]F:1132 |
6 |
1 |
223 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
8687 |
95.6 |
-0.3 |
0.538 |
1 |
0 |
0 |
0.000 |
| Average: |
97.6 |
-0.3 |
0.554 |
1 |
0 |
0 |
0.000 |
| 8 |
25 |
|
[DUP]A:1131 |
10 |
1 |
574 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
8659 |
90.5 |
-1.7 |
0.397 |
2 |
0 |
0 |
0.000 |
26 |
|
[DUP]D:1131 |
11 |
1 |
576 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8677 |
90.2 |
-1.6 |
0.409 |
2 |
0 |
0 |
0.000 |
27 |
|
[DUP]B:1131 |
10 |
1 |
572 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
8579 |
89.2 |
-1.9 |
0.384 |
1 |
0 |
0 |
0.000 |
| Average: |
90.0 |
-1.7 |
0.396 |
2 |
0 |
0 |
0.000 |
| 9 |
28 |
|
[GOL]E:1132 |
6 |
1 |
225 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
8579 |
89.3 |
0.8 |
0.700 |
4 |
0 |
0 |
0.011 |
29 |
|
[GOL]F:1132 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8677 |
89.2 |
0.7 |
0.671 |
4 |
0 |
0 |
0.011 |
30 |
|
[GOL]D:1132 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
8659 |
87.9 |
0.7 |
0.688 |
3 |
0 |
0 |
0.011 |
| Average: |
88.8 |
0.7 |
0.686 |
4 |
0 |
0 |
0.011 |
| 10 |
31 |
|
D |
6 |
3 |
8659 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
7 |
3 |
8633 |
83.1 |
2.0 |
0.893 |
1 |
3 |
0 |
0.000 |
32 |
|
B |
7 |
3 |
8677 |
◊ |
F |
-x,y-1/2,-z-3/2 |
3_543 |
9 |
4 |
8687 |
79.5 |
1.8 |
0.858 |
1 |
4 |
0 |
0.000 |
33 |
|
A |
7 |
3 |
8690 |
◊ |
E |
x,y-1,z |
1_545 |
7 |
3 |
8579 |
76.4 |
1.1 |
0.812 |
1 |
3 |
0 |
0.000 |
| Average: |
79.6 |
1.6 |
0.855 |
1 |
3 |
0 |
0.000 |
| 11 |
34 |
|
[GOL]A:1133 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8677 |
62.3 |
-1.2 |
0.341 |
0 |
0 |
0 |
0.008 |
| 12 |
35 |
|
[GOL]A:1135 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8690 |
61.8 |
-1.1 |
0.357 |
0 |
0 |
0 |
0.008 |
36 |
|
[GOL]D:1134 |
4 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8659 |
61.2 |
-1.2 |
0.368 |
0 |
0 |
0 |
0.008 |
| Average: |
61.5 |
-1.1 |
0.363 |
0 |
0 |
0 |
0.008 |
| 13 |
37 |
|
[GOL]D:1134 |
4 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
8687 |
58.5 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.007 |
38 |
|
[GOL]A:1135 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
8633 |
57.6 |
-0.1 |
0.603 |
2 |
0 |
0 |
0.007 |
| Average: |
58.1 |
-0.1 |
0.617 |
2 |
0 |
0 |
0.007 |
| 14 |
39 |
|
[GOL]A:1133 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
8690 |
57.5 |
-0.2 |
0.632 |
1 |
0 |
0 |
0.004 |
| 15 |
40 |
|
[GOL]A:1133 |
5 |
1 |
219 |
f |
[DUP]B:1131 |
x,y,z |
1_555 |
9 |
1 |
572 |
57.2 |
-0.3 |
0.539 |
4 |
0 |
0 |
0.014 |
| 16 |
41 |
|
[GOL]A:1135 |
5 |
1 |
216 |
f |
[DUP]A:1131 |
x,y,z |
1_555 |
10 |
1 |
574 |
54.9 |
-0.3 |
0.530 |
5 |
0 |
0 |
0.017 |
42 |
|
[GOL]D:1134 |
5 |
1 |
217 |
f |
[DUP]D:1131 |
x,y,z |
1_555 |
9 |
1 |
576 |
54.6 |
-0.3 |
0.528 |
5 |
0 |
0 |
0.017 |
| Average: |
54.8 |
-0.3 |
0.529 |
5 |
0 |
0 |
0.017 |
| 17 |
43 |
|
[DUP]F:1131 |
3 |
1 |
555 |
f |
[CA]E:1146 |
x,y,z |
1_555 |
1 |
1 |
85 |
36.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.115 |
44 |
|
[DUP]C:1131 |
3 |
1 |
555 |
f |
[CA]B:1132 |
x,y,z |
1_555 |
1 |
1 |
85 |
36.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.115 |
45 |
|
[DUP]E:1131 |
3 |
1 |
556 |
f |
[CA]D:1146 |
x,y,z |
1_555 |
1 |
1 |
85 |
36.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
36.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.115 |
| 18 |
46 |
|
C |
5 |
2 |
8633 |
◊ |
[DUP]E:1131 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
556 |
27.9 |
0.3 |
0.607 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
5 |
2 |
8690 |
◊ |
[DUP]F:1131 |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
555 |
26.2 |
0.4 |
0.645 |
0 |
0 |
0 |
0.000 |
48 |
|
[DUP]C:1131 |
3 |
1 |
555 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
8687 |
25.4 |
0.3 |
0.607 |
0 |
0 |
0 |
0.000 |
| Average: |
26.5 |
0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
| 19 |
49 |
|
[CA]B:1132 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8677 |
26.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.085 |
50 |
|
[CA]E:1146 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8579 |
26.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.085 |
51 |
|
[CA]D:1146 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8659 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
|
[CA]A:1134 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
8633 |
25.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.085 |
53 |
|
[CA]D:1133 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
8687 |
25.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.085 |
54 |
|
[CA]A:1132 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8690 |
25.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
26.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.085 |
| 20 |
55 |
|
[GOL]D:1134 |
3 |
1 |
217 |
f |
[CA]D:1133 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
56 |
|
[GOL]A:1135 |
3 |
1 |
216 |
f |
[CA]A:1134 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
25.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| 21 |
57 |
|
[GOL]A:1133 |
4 |
1 |
219 |
f |
[CA]A:1132 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 22 |
58 |
|
[CA]A:1132 |
1 |
1 |
85 |
f |
[DUP]B:1131 |
x,y,z |
1_555 |
4 |
1 |
572 |
24.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.046 |
59 |
|
[CA]D:1133 |
1 |
1 |
85 |
f |
[DUP]D:1131 |
x,y,z |
1_555 |
4 |
1 |
576 |
23.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.046 |
60 |
|
[CA]A:1134 |
1 |
1 |
85 |
f |
[DUP]A:1131 |
x,y,z |
1_555 |
4 |
1 |
574 |
23.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
24.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 23 |
61 |
|
[CA]E:1147 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
8579 |
17.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.044 |
62 |
|
[CA]C:1132 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8633 |
16.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.044 |
63 |
|
[CA]C:1132 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8677 |
16.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.044 |
64 |
|
[CA]E:1147 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8659 |
13.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.044 |
65 |
|
[CA]C:1132 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8690 |
13.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
66 |
|
[CA]E:1147 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8687 |
12.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
15.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 24 |
67 |
|
A |
1 |
1 |
8690 |
◊ |
D |
-x,y-1/2,-z-3/2 |
3_543 |
3 |
2 |
8659 |
12.6 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
1 |
1 |
8687 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
8690 |
3.5 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
8.0 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 25 |
69 |
|
D |
1 |
1 |
8659 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8677 |
7.1 |
0.2 |
0.817 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
8690 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
8659 |
5.7 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
6.4 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
| 26 |
71 |
|
C |
2 |
1 |
8633 |
◊ |
[CA]D:1146 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
85 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[CA]B:1132 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8687 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
A |
1 |
1 |
8690 |
◊ |
[CA]E:1146 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
85 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
74 |
|
B |
1 |
1 |
8677 |
◊ |
E |
x,y-1,z |
1_545 |
1 |
1 |
8579 |
3.5 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
75 |
|
D |
1 |
1 |
8659 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
8690 |
1.4 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
76 |
|
C |
1 |
1 |
8633 |
◊ |
F |
-x,y-1/2,-z-3/2 |
3_543 |
1 |
1 |
8687 |
0.1 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
1.7 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
|