| ## |
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 |
|
E |
80 |
22 |
13560 |
◊ |
F |
-y,x-y-1,z+1/3 |
2_545 |
79 |
22 |
13691 |
681.1 |
-4.7 |
0.459 |
0 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
79 |
23 |
13653 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
79 |
23 |
13615 |
591.3 |
-4.5 |
0.389 |
1 |
1 |
0 |
0.000 |
3 |
|
B |
65 |
21 |
13646 |
◊ |
D |
-y+1,x-y-1,z+1/3 |
2_645 |
73 |
23 |
13382 |
544.3 |
-4.3 |
0.408 |
1 |
2 |
0 |
0.000 |
| Average: |
567.8 |
-4.4 |
0.399 |
1 |
2 |
0 |
0.000 |
| 3 |
4 |
|
D |
49 |
16 |
13382 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
13653 |
438.9 |
-1.2 |
0.625 |
8 |
5 |
0 |
0.000 |
5 |
|
F |
57 |
18 |
13691 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
13646 |
436.8 |
-0.1 |
0.741 |
6 |
2 |
0 |
0.000 |
6 |
|
E |
49 |
15 |
13560 |
◊ |
C |
x,y,z |
1_555 |
51 |
18 |
13615 |
433.7 |
-1.0 |
0.617 |
6 |
5 |
0 |
0.000 |
| Average: |
436.5 |
-0.8 |
0.661 |
7 |
4 |
0 |
0.000 |
| 4 |
7 |
|
A |
38 |
12 |
13653 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
38 |
13 |
13653 |
431.6 |
-2.9 |
0.360 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
37 |
13 |
13646 |
◊ |
E |
-x+1,-x+y,-z+1/3 |
6_655 |
37 |
12 |
13560 |
404.4 |
-2.4 |
0.431 |
1 |
0 |
0 |
0.000 |
| Average: |
418.0 |
-2.6 |
0.395 |
1 |
0 |
0 |
0.000 |
| 5 |
9 |
|
K |
34 |
8 |
1378 |
◊ |
F |
x,y,z |
1_555 |
48 |
17 |
13691 |
380.6 |
-7.0 |
0.310 |
0 |
0 |
0 |
0.326 |
10 |
|
G |
28 |
6 |
1377 |
◊ |
C |
x,y,z |
1_555 |
43 |
15 |
13615 |
353.2 |
-6.0 |
0.284 |
2 |
0 |
0 |
0.326 |
11 |
|
H |
25 |
6 |
1164 |
◊ |
D |
x,y,z |
1_555 |
39 |
14 |
13382 |
301.6 |
-5.8 |
0.347 |
0 |
0 |
0 |
0.326 |
| Average: |
345.1 |
-6.3 |
0.314 |
1 |
0 |
0 |
0.326 |
| 6 |
12 |
|
K |
37 |
8 |
1378 |
◊ |
E |
x,y,z |
1_555 |
50 |
13 |
13560 |
378.7 |
-7.2 |
0.346 |
5 |
2 |
1 |
1.000 |
13 |
|
H |
34 |
8 |
1164 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
13646 |
375.0 |
-7.3 |
0.347 |
5 |
4 |
1 |
1.000 |
14 |
|
G |
38 |
9 |
1377 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
13653 |
372.5 |
-7.2 |
0.316 |
6 |
2 |
1 |
1.000 |
| Average: |
375.4 |
-7.2 |
0.336 |
5 |
3 |
1 |
1.000 |
| 7 |
15 |
|
F |
46 |
12 |
13691 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
13560 |
332.7 |
-6.6 |
0.076 |
1 |
0 |
0 |
0.348 |
16 |
|
D |
40 |
10 |
13382 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
13646 |
324.7 |
-6.8 |
0.054 |
1 |
0 |
0 |
0.348 |
17 |
|
C |
40 |
10 |
13615 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
13653 |
322.0 |
-6.3 |
0.048 |
1 |
0 |
0 |
0.348 |
| Average: |
326.5 |
-6.6 |
0.060 |
1 |
0 |
0 |
0.348 |
| 8 |
18 |
|
E |
33 |
14 |
13560 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
13653 |
297.8 |
-1.6 |
0.492 |
1 |
2 |
0 |
0.000 |
19 |
|
E |
32 |
12 |
13560 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
13646 |
278.5 |
-0.4 |
0.594 |
1 |
2 |
0 |
0.000 |
20 |
|
B |
28 |
8 |
13646 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
13653 |
225.1 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
267.1 |
-0.7 |
0.569 |
1 |
1 |
0 |
0.000 |
| 9 |
21 |
|
C |
22 |
5 |
13615 |
◊ |
A |
y,x-1,-z |
4_545 |
27 |
10 |
13653 |
202.1 |
-1.0 |
0.495 |
1 |
0 |
0 |
0.000 |
22 |
|
E |
17 |
6 |
13560 |
◊ |
D |
y,x-1,-z |
4_545 |
12 |
3 |
13382 |
114.9 |
-1.3 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
158.5 |
-1.2 |
0.430 |
1 |
0 |
0 |
0.000 |
| 10 |
23 |
|
I |
16 |
4 |
599 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
13615 |
194.8 |
-4.9 |
0.267 |
4 |
0 |
1 |
1.000 |
24 |
|
J |
16 |
4 |
569 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
13382 |
191.4 |
-4.8 |
0.305 |
4 |
0 |
1 |
1.000 |
25 |
|
L |
15 |
4 |
515 |
◊ |
F |
x,y,z |
1_555 |
23 |
8 |
13691 |
184.9 |
-4.6 |
0.426 |
3 |
0 |
1 |
1.000 |
| Average: |
190.3 |
-4.8 |
0.333 |
4 |
0 |
1 |
1.000 |
| 11 |
26 |
|
F |
19 |
8 |
13691 |
◊ |
B |
y+1,x-1,-z |
4_645 |
25 |
11 |
13646 |
157.3 |
-0.5 |
0.613 |
1 |
0 |
0 |
0.000 |
| 12 |
27 |
|
C |
21 |
9 |
13615 |
◊ |
D |
y,x-1,-z |
4_545 |
18 |
9 |
13382 |
152.5 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[GOL]C:605 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
26 |
12 |
13615 |
135.5 |
0.1 |
0.630 |
1 |
0 |
0 |
0.059 |
| 14 |
29 |
|
[GOL]B:605 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
13646 |
135.0 |
0.2 |
0.646 |
1 |
0 |
0 |
0.018 |
| 15 |
30 |
|
F |
13 |
5 |
13691 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
13615 |
125.2 |
0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
8 |
4 |
13382 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
13615 |
64.7 |
0.9 |
0.597 |
0 |
0 |
0 |
0.000 |
32 |
|
F |
8 |
4 |
13691 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
13382 |
60.9 |
0.6 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
83.6 |
0.6 |
0.574 |
0 |
0 |
0 |
0.000 |
| 16 |
33 |
|
[GOL]D:604 |
6 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
13382 |
122.5 |
0.5 |
0.613 |
0 |
0 |
0 |
0.000 |
| 17 |
34 |
|
[GOL]B:606 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
13646 |
120.6 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[GOL]A:605 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13653 |
117.5 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
| 19 |
36 |
|
[RCO]A:602 |
8 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
13653 |
111.0 |
2.5 |
0.075 |
0 |
0 |
0 |
0.000 |
| 20 |
37 |
|
B |
23 |
6 |
13646 |
◊ |
[RCO]D:603 |
-y+1,x-y-1,z+1/3 |
2_645 |
8 |
1 |
251 |
110.1 |
2.6 |
0.078 |
0 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[RCO]D:602 |
8 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
13646 |
109.6 |
2.3 |
0.049 |
0 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[RCO]A:602 |
8 |
1 |
250 |
f |
C |
-y+1,x-y,z+1/3 |
2_655 |
22 |
6 |
13615 |
107.9 |
2.4 |
0.073 |
0 |
0 |
0 |
0.000 |
| 23 |
40 |
|
[RCO]D:603 |
8 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
13382 |
107.2 |
2.5 |
0.047 |
1 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[RCO]C:603 |
8 |
1 |
252 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
13560 |
98.9 |
2.1 |
0.025 |
0 |
0 |
0 |
0.000 |
42 |
|
[RCO]A:603 |
8 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
13653 |
97.7 |
2.1 |
0.023 |
0 |
0 |
0 |
0.000 |
| Average: |
98.3 |
2.1 |
0.024 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[RCO]B:602 |
8 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13646 |
97.8 |
1.5 |
0.021 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[RCO]C:603 |
8 |
1 |
252 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
13615 |
97.2 |
2.0 |
0.019 |
0 |
0 |
0 |
0.000 |
45 |
|
[RCO]A:603 |
8 |
1 |
252 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
13382 |
95.2 |
2.0 |
0.479 |
0 |
0 |
0 |
0.000 |
| Average: |
96.2 |
2.0 |
0.249 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[RCO]E:603 |
8 |
1 |
251 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
13560 |
96.9 |
1.6 |
0.024 |
0 |
0 |
0 |
0.000 |
47 |
|
[RCO]C:602 |
8 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13653 |
95.5 |
1.6 |
0.022 |
0 |
0 |
0 |
0.000 |
| Average: |
96.2 |
1.6 |
0.023 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[RCO]B:603 |
8 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
13646 |
92.2 |
1.8 |
0.022 |
0 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[RCO]B:603 |
8 |
1 |
252 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
13691 |
90.7 |
1.7 |
0.022 |
0 |
0 |
0 |
0.000 |
| 30 |
50 |
|
[RCO]E:602 |
7 |
1 |
251 |
◊ |
K |
x,y,z |
1_555 |
19 |
4 |
1378 |
89.8 |
2.1 |
0.208 |
1 |
0 |
0 |
0.000 |
51 |
|
[RCO]A:604 |
7 |
1 |
251 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
1377 |
89.8 |
2.2 |
0.165 |
0 |
0 |
0 |
0.000 |
| Average: |
89.8 |
2.2 |
0.187 |
1 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[GOL]B:604 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13646 |
89.6 |
-0.7 |
0.486 |
1 |
0 |
0 |
0.081 |
| 32 |
53 |
|
[GOL]C:604 |
5 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13653 |
87.0 |
-1.2 |
0.348 |
0 |
0 |
0 |
0.115 |
| 33 |
54 |
|
[RCO]E:603 |
8 |
1 |
251 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
13691 |
81.0 |
1.6 |
0.023 |
0 |
0 |
0 |
0.000 |
55 |
|
[RCO]C:602 |
8 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
13615 |
80.4 |
1.7 |
0.555 |
0 |
0 |
0 |
0.000 |
| Average: |
80.7 |
1.7 |
0.289 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
[ACT]K:501 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
13691 |
79.9 |
-1.3 |
0.488 |
0 |
0 |
0 |
0.245 |
| 35 |
57 |
|
[RCO]B:602 |
8 |
1 |
250 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
13382 |
79.5 |
1.6 |
0.559 |
0 |
0 |
0 |
0.000 |
| 36 |
58 |
|
[RCO]D:602 |
8 |
1 |
250 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
13382 |
73.0 |
1.4 |
0.482 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
[GOL]B:604 |
6 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
13691 |
69.5 |
-0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
[GOL]C:604 |
6 |
1 |
213 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
13615 |
69.3 |
-0.8 |
0.361 |
0 |
0 |
0 |
0.036 |
| 39 |
61 |
|
[RCO]A:604 |
8 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13615 |
67.6 |
0.8 |
0.256 |
0 |
0 |
0 |
0.000 |
62 |
|
[RCO]E:602 |
8 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
13691 |
67.4 |
0.8 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
| 40 |
63 |
|
[ACT]K:501 |
3 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
1378 |
66.5 |
-0.4 |
0.741 |
0 |
0 |
0 |
0.016 |
| 41 |
64 |
|
[RCO]E:602 |
8 |
1 |
251 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
13560 |
65.9 |
1.5 |
0.584 |
0 |
0 |
0 |
0.000 |
65 |
|
[RCO]A:604 |
8 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
13653 |
64.2 |
1.4 |
0.598 |
0 |
0 |
0 |
0.000 |
| Average: |
65.0 |
1.5 |
0.591 |
0 |
0 |
0 |
0.000 |
| 42 |
66 |
|
F |
6 |
3 |
13691 |
◊ |
A |
y,x-1,-z |
4_545 |
8 |
3 |
13653 |
57.4 |
-0.4 |
0.328 |
0 |
0 |
0 |
0.000 |
| 43 |
67 |
|
B |
7 |
3 |
13646 |
f |
[GOL]D:604 |
-y+1,x-y-1,z+1/3 |
2_645 |
6 |
1 |
223 |
51.1 |
-0.2 |
0.478 |
0 |
0 |
0 |
0.012 |
| 44 |
68 |
|
[GOL]B:606 |
4 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
13560 |
38.6 |
-1.1 |
0.274 |
0 |
0 |
0 |
0.100 |
| 45 |
69 |
|
[RCO]B:602 |
7 |
1 |
250 |
f |
J |
x,y,z |
1_555 |
4 |
2 |
569 |
33.3 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
| 46 |
70 |
|
[RCO]C:602 |
6 |
1 |
251 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
599 |
32.8 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
| 47 |
71 |
|
I |
4 |
2 |
599 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13653 |
31.2 |
-0.9 |
0.391 |
0 |
0 |
0 |
0.031 |
72 |
|
J |
4 |
2 |
569 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
13646 |
19.2 |
-0.4 |
0.531 |
0 |
0 |
0 |
0.031 |
| Average: |
25.2 |
-0.7 |
0.461 |
0 |
0 |
0 |
0.031 |
| 48 |
73 |
|
D |
5 |
2 |
13382 |
◊ |
B |
y+1,x-1,-z |
4_645 |
4 |
1 |
13646 |
30.7 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
| 49 |
74 |
|
[RCO]E:603 |
5 |
1 |
251 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
515 |
29.6 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 50 |
75 |
|
[GOL]B:604 |
2 |
1 |
220 |
◊ |
[RCO]B:603 |
x,y,z |
1_555 |
4 |
1 |
252 |
29.3 |
0.8 |
0.764 |
0 |
0 |
0 |
0.000 |
| 51 |
76 |
|
[RCO]B:602 |
2 |
1 |
250 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1164 |
22.8 |
0.4 |
0.435 |
0 |
0 |
0 |
0.000 |
| 52 |
77 |
|
[RCO]C:602 |
2 |
1 |
251 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1377 |
22.4 |
0.4 |
0.367 |
0 |
0 |
0 |
0.000 |
78 |
|
[RCO]E:603 |
2 |
1 |
251 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1378 |
22.2 |
0.4 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
22.3 |
0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
| 53 |
79 |
|
[RCO]A:603 |
2 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
13646 |
18.9 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
80 |
|
[RCO]C:603 |
1 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13653 |
15.7 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
17.3 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 54 |
81 |
|
[RCO]B:603 |
2 |
1 |
252 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
13560 |
16.6 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 55 |
82 |
|
K |
3 |
2 |
1378 |
◊ |
G |
y,x-1,-z |
4_545 |
2 |
1 |
1377 |
16.2 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
| 56 |
83 |
|
L |
2 |
2 |
515 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
13560 |
8.8 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.009 |
| 57 |
84 |
|
F |
1 |
1 |
13691 |
◊ |
C |
y,x-1,-z |
4_545 |
1 |
1 |
13615 |
1.3 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
|