| ## |
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 |
|
B |
236 |
61 |
30099 |
◊ |
A |
x,y,z |
1_555 |
231 |
59 |
30071 |
2172.7 |
-17.9 |
0.089 |
37 |
10 |
0 |
1.000 |
2 |
|
D |
232 |
60 |
30467 |
◊ |
C |
x,y,z |
1_555 |
236 |
61 |
30419 |
2154.3 |
-18.5 |
0.076 |
30 |
9 |
0 |
1.000 |
| Average: |
2163.5 |
-18.2 |
0.083 |
34 |
10 |
0 |
1.000 |
| 2 |
3 |
|
D |
57 |
17 |
30467 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
30099 |
572.9 |
-2.7 |
0.404 |
11 |
0 |
0 |
0.374 |
4 |
|
C |
55 |
17 |
30419 |
◊ |
A |
x,y,z |
1_555 |
56 |
17 |
30071 |
572.6 |
-3.5 |
0.329 |
12 |
0 |
0 |
0.374 |
| Average: |
572.8 |
-3.1 |
0.366 |
12 |
0 |
0 |
0.374 |
| 3 |
5 |
|
B |
70 |
23 |
30099 |
◊ |
C |
x,y-1,z-1 |
1_544 |
68 |
21 |
30419 |
553.0 |
-1.7 |
0.484 |
5 |
0 |
0 |
0.114 |
| 4 |
6 |
|
B |
67 |
21 |
30099 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
64 |
24 |
30419 |
530.7 |
-0.9 |
0.580 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
42 |
12 |
30071 |
x |
A |
x-1,y,z |
1_455 |
43 |
12 |
30071 |
383.1 |
-1.8 |
0.303 |
2 |
1 |
0 |
0.000 |
8 |
|
C |
36 |
11 |
30419 |
x |
C |
x-1,y,z |
1_455 |
28 |
7 |
30419 |
288.4 |
-3.3 |
0.134 |
0 |
0 |
0 |
0.000 |
| Average: |
335.8 |
-2.5 |
0.219 |
1 |
1 |
0 |
0.000 |
| 6 |
9 |
|
B |
28 |
12 |
30099 |
◊ |
D |
x,y,z-1 |
1_554 |
36 |
13 |
30467 |
232.8 |
-1.5 |
0.428 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
27 |
10 |
30071 |
◊ |
D |
x-1,y,z-1 |
1_454 |
25 |
10 |
30467 |
230.1 |
1.2 |
0.630 |
3 |
2 |
0 |
0.000 |
| 8 |
11 |
|
A |
24 |
8 |
30071 |
◊ |
C |
x-1,y,z-1 |
1_454 |
24 |
6 |
30419 |
203.6 |
0.1 |
0.631 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[NAG]B:774A |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
30099 |
185.9 |
6.1 |
0.633 |
3 |
0 |
0 |
0.000 |
13 |
|
[NAG]A:773A |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
30071 |
184.5 |
6.3 |
0.628 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]D:776A |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
21 |
9 |
30467 |
184.1 |
6.1 |
0.591 |
2 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:772A |
12 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
23 |
9 |
30419 |
181.8 |
6.1 |
0.632 |
2 |
0 |
0 |
0.000 |
| Average: |
184.1 |
6.1 |
0.621 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[NAG]A:772A |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
27 |
11 |
30071 |
166.7 |
4.1 |
0.540 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:773A |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
20 |
9 |
30099 |
147.1 |
3.7 |
0.472 |
0 |
0 |
0 |
0.000 |
| Average: |
156.9 |
3.9 |
0.506 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[NAG]D:771A |
12 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
21 |
8 |
30467 |
164.0 |
4.6 |
0.488 |
2 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:769A |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
20 |
8 |
30419 |
162.5 |
4.4 |
0.473 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:769A |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
21 |
8 |
30071 |
161.2 |
4.5 |
0.475 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:771A |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
30099 |
160.9 |
4.6 |
0.490 |
1 |
0 |
0 |
0.000 |
| Average: |
162.1 |
4.5 |
0.482 |
2 |
0 |
0 |
0.000 |
| 12 |
22 |
|
B |
19 |
5 |
30099 |
x |
B |
x-1,y,z |
1_455 |
15 |
7 |
30099 |
160.8 |
-1.2 |
0.328 |
3 |
2 |
0 |
0.000 |
23 |
|
D |
17 |
8 |
30467 |
x |
D |
x-1,y,z |
1_455 |
18 |
6 |
30467 |
141.6 |
-1.9 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
151.2 |
-1.6 |
0.292 |
2 |
1 |
0 |
0.000 |
| 13 |
24 |
|
D |
12 |
5 |
30467 |
◊ |
C |
x,y-1,z |
1_545 |
20 |
7 |
30419 |
159.0 |
-0.0 |
0.563 |
1 |
1 |
0 |
0.000 |
25 |
|
B |
15 |
4 |
30099 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
4 |
30071 |
115.1 |
-1.3 |
0.341 |
1 |
0 |
0 |
0.000 |
| Average: |
137.0 |
-0.7 |
0.452 |
1 |
1 |
0 |
0.000 |
| 14 |
26 |
|
A |
21 |
4 |
30071 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
6 |
30467 |
156.8 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[NAG]C:771A |
10 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
19 |
8 |
30419 |
151.7 |
3.7 |
0.481 |
1 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[NAG]C:767A |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
20 |
7 |
30419 |
149.8 |
4.4 |
0.462 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]A:767A |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
30071 |
136.4 |
4.3 |
0.544 |
2 |
0 |
0 |
0.000 |
| Average: |
143.1 |
4.4 |
0.503 |
2 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[NAG]B:767A |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
24 |
7 |
30099 |
147.4 |
4.3 |
0.493 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[NAG]D:768A |
12 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
19 |
6 |
30467 |
136.5 |
3.3 |
0.332 |
2 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[NAG]D:774A |
11 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
17 |
9 |
30467 |
136.3 |
2.8 |
0.335 |
2 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[NAG]C:768A |
12 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
12 |
4 |
30419 |
128.7 |
3.7 |
0.350 |
3 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[NAG]B:768A |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
19 |
6 |
30099 |
126.4 |
3.0 |
0.358 |
1 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[NAG]D:767A |
10 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
16 |
5 |
30467 |
123.7 |
2.2 |
0.303 |
1 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[NAG]A:768A |
12 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
17 |
6 |
30071 |
118.8 |
2.9 |
0.290 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[NAG]B:772A |
11 |
1 |
365 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
30467 |
115.4 |
1.8 |
0.229 |
1 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[SO4]C:1502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
30419 |
104.4 |
-16.4 |
0.675 |
3 |
0 |
0 |
1.000 |
| 26 |
39 |
|
[NAG]C:770A |
11 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
30071 |
103.8 |
0.6 |
0.105 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[NAG]A:771A |
12 |
1 |
350 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
30419 |
103.3 |
1.4 |
0.184 |
1 |
0 |
0 |
0.000 |
| 28 |
41 |
|
[SO4]B:1501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
30099 |
102.9 |
-16.2 |
0.683 |
3 |
0 |
0 |
1.000 |
| 29 |
42 |
|
[SO4]D:1503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
30467 |
102.4 |
-15.6 |
0.699 |
3 |
0 |
0 |
1.000 |
| 30 |
43 |
|
[SO4]A:1500 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
30071 |
102.2 |
-16.0 |
0.689 |
3 |
0 |
0 |
1.000 |
| 31 |
44 |
|
[NAG]D:775B |
9 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
30467 |
93.5 |
0.8 |
0.202 |
1 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[NAG]D:777B |
10 |
1 |
355 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
30467 |
92.5 |
2.8 |
0.377 |
1 |
0 |
0 |
0.000 |
| 33 |
46 |
|
[NAG]B:775B |
9 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
30099 |
90.3 |
2.5 |
0.351 |
2 |
0 |
0 |
0.000 |
47 |
|
[NAG]C:773B |
9 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
30419 |
84.5 |
2.4 |
0.345 |
3 |
0 |
0 |
0.000 |
| Average: |
87.4 |
2.4 |
0.348 |
3 |
0 |
0 |
0.000 |
| 34 |
48 |
|
[NAG]B:772A |
9 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
30099 |
88.8 |
2.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 35 |
49 |
|
[NAG]D:773A |
9 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
30099 |
83.4 |
0.2 |
0.098 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
B |
5 |
1 |
30099 |
◊ |
D |
x-1,y,z-1 |
1_454 |
12 |
4 |
30467 |
80.0 |
-0.6 |
0.130 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[NAG]A:774B |
7 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
30071 |
77.6 |
2.4 |
0.450 |
2 |
0 |
0 |
0.000 |
| 38 |
52 |
|
[NAG]B:769B |
9 |
1 |
362 |
cf |
[NAG]B:768A |
x,y,z |
1_555 |
6 |
1 |
362 |
75.1 |
1.7 |
0.115 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]A:770B |
9 |
1 |
363 |
cf |
[NAG]A:769A |
x,y,z |
1_555 |
7 |
1 |
364 |
73.9 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
| Average: |
74.5 |
1.7 |
0.103 |
0 |
0 |
0 |
0.000 |
| 39 |
54 |
|
[NAG]D:773A |
6 |
1 |
354 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
30467 |
74.0 |
2.0 |
0.451 |
1 |
0 |
0 |
0.000 |
| 40 |
55 |
|
[NAG]B:769B |
10 |
1 |
362 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
30099 |
73.3 |
-0.1 |
0.057 |
0 |
0 |
0 |
0.000 |
| 41 |
56 |
|
[NAG]B:775B |
10 |
1 |
362 |
cf |
[NAG]B:774A |
x,y,z |
1_555 |
6 |
1 |
363 |
73.2 |
1.7 |
0.086 |
0 |
0 |
0 |
0.000 |
57 |
|
[NAG]C:773B |
8 |
1 |
362 |
cf |
[NAG]C:772A |
x,y,z |
1_555 |
6 |
1 |
361 |
72.9 |
1.6 |
0.115 |
0 |
0 |
0 |
0.000 |
| Average: |
73.1 |
1.6 |
0.100 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[NAG]D:777B |
10 |
1 |
355 |
cf |
[NAG]D:776A |
x,y,z |
1_555 |
6 |
1 |
364 |
73.2 |
1.4 |
0.079 |
0 |
0 |
0 |
0.000 |
59 |
|
[NAG]A:774B |
9 |
1 |
364 |
cf |
[NAG]A:773A |
x,y,z |
1_555 |
6 |
1 |
363 |
71.2 |
1.6 |
0.097 |
0 |
0 |
0 |
0.000 |
| Average: |
72.2 |
1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
| 43 |
60 |
|
[NAG]D:772B |
9 |
1 |
360 |
cf |
[NAG]D:771A |
x,y,z |
1_555 |
6 |
1 |
364 |
73.1 |
1.8 |
0.095 |
1 |
0 |
0 |
0.000 |
| 44 |
61 |
|
[NAG]C:770A |
9 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
30419 |
73.0 |
1.9 |
0.307 |
0 |
0 |
0 |
0.000 |
| 45 |
62 |
|
D |
9 |
3 |
30467 |
◊ |
[NAG]D:769B |
x-1,y,z |
1_455 |
8 |
1 |
350 |
69.5 |
0.8 |
0.206 |
0 |
0 |
0 |
0.000 |
| 46 |
63 |
|
[NAG]D:775B |
10 |
1 |
365 |
cf |
[NAG]D:774A |
x,y,z |
1_555 |
7 |
1 |
354 |
67.3 |
1.2 |
0.050 |
0 |
0 |
0 |
0.000 |
| 47 |
64 |
|
[NAG]D:769B |
8 |
1 |
350 |
cf |
[NAG]D:768A |
x,y,z |
1_555 |
5 |
1 |
365 |
66.3 |
1.6 |
0.119 |
0 |
0 |
0 |
0.000 |
| 48 |
65 |
|
[BMA]D:770C |
7 |
1 |
294 |
cf |
[NAG]D:769B |
x,y,z |
1_555 |
7 |
1 |
350 |
64.2 |
1.3 |
0.090 |
1 |
0 |
0 |
0.000 |
| 49 |
66 |
|
D |
7 |
2 |
30467 |
◊ |
[BMA]D:770C |
x-1,y,z |
1_455 |
7 |
1 |
294 |
60.8 |
1.2 |
0.284 |
0 |
0 |
0 |
0.000 |
| 50 |
67 |
|
[NAG]A:771A |
7 |
1 |
350 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
30071 |
59.9 |
1.6 |
0.327 |
0 |
0 |
0 |
0.000 |
| 51 |
68 |
|
[BMA]B:770C |
7 |
1 |
294 |
cf |
[NAG]B:769B |
x,y,z |
1_555 |
5 |
1 |
362 |
58.9 |
1.2 |
0.123 |
0 |
0 |
0 |
0.000 |
| 52 |
69 |
|
D |
3 |
2 |
30467 |
◊ |
[NAG]D:768A |
x-1,y,z |
1_455 |
5 |
1 |
365 |
55.1 |
0.6 |
0.110 |
0 |
0 |
0 |
0.000 |
| 53 |
70 |
|
[NAG]B:768A |
8 |
1 |
362 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
30099 |
53.6 |
-0.5 |
0.030 |
0 |
0 |
0 |
0.000 |
| 54 |
71 |
|
[NAG]B:768A |
5 |
1 |
362 |
◊ |
[NAG]B:773A |
x-1,y,z |
1_455 |
5 |
1 |
361 |
52.7 |
3.0 |
0.376 |
0 |
0 |
0 |
0.000 |
| 55 |
72 |
|
[NAG]B:769B |
7 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
30099 |
52.4 |
1.2 |
0.346 |
0 |
0 |
0 |
0.000 |
| 56 |
73 |
|
[NAG]D:769B |
7 |
1 |
350 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
30467 |
52.1 |
1.4 |
0.339 |
0 |
0 |
0 |
0.000 |
| 57 |
74 |
|
A |
5 |
2 |
30071 |
◊ |
[NAG]A:768A |
x-1,y,z |
1_455 |
6 |
1 |
354 |
49.6 |
1.1 |
0.332 |
0 |
0 |
0 |
0.000 |
| 58 |
75 |
|
[NAG]A:772A |
5 |
1 |
364 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
30071 |
46.3 |
0.6 |
0.300 |
0 |
0 |
0 |
0.000 |
| 59 |
76 |
|
[NAG]A:774B |
5 |
1 |
364 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
30071 |
42.9 |
1.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 60 |
77 |
|
[NAG]A:770B |
4 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
30071 |
41.3 |
0.9 |
0.359 |
0 |
0 |
0 |
0.000 |
78 |
|
[NAG]D:772B |
4 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
30467 |
32.2 |
0.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
36.7 |
0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
| 61 |
79 |
|
C |
3 |
1 |
30419 |
◊ |
[NAG]C:771A |
x-1,y,z |
1_455 |
3 |
1 |
358 |
22.3 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
| 62 |
80 |
|
B |
2 |
1 |
30099 |
◊ |
[NAG]C:767A |
x,y-1,z-1 |
1_544 |
2 |
1 |
363 |
22.3 |
0.2 |
0.230 |
0 |
0 |
0 |
0.000 |
| 63 |
81 |
|
[BMA]B:770C |
2 |
1 |
294 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
30099 |
21.8 |
0.6 |
0.449 |
0 |
0 |
0 |
0.000 |
| 64 |
82 |
|
[BMA]B:770C |
3 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
30099 |
16.2 |
0.6 |
0.502 |
0 |
0 |
0 |
0.000 |
| 65 |
83 |
|
C |
3 |
2 |
30419 |
◊ |
[NAG]C:773B |
x-1,y,z |
1_455 |
2 |
1 |
362 |
13.9 |
0.5 |
0.478 |
0 |
0 |
0 |
0.000 |
| 66 |
84 |
|
[NAG]D:774A |
3 |
1 |
354 |
◊ |
[NAG]D:768A |
x-1,y,z |
1_455 |
1 |
1 |
365 |
13.5 |
0.7 |
0.423 |
0 |
0 |
0 |
0.000 |
| 67 |
85 |
|
[NAG]C:768A |
5 |
1 |
358 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
30419 |
13.3 |
0.4 |
0.265 |
0 |
0 |
0 |
0.000 |
| 68 |
86 |
|
[NAG]B:769B |
3 |
1 |
362 |
◊ |
[NAG]B:773A |
x-1,y,z |
1_455 |
1 |
1 |
361 |
5.6 |
0.0 |
0.221 |
0 |
0 |
0 |
0.000 |
| 69 |
87 |
|
[BMA]D:770C |
1 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
30467 |
2.8 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
|