## |
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 |
165 |
39 |
20012 |
◊ |
E |
x,y,z |
1_555 |
164 |
39 |
20547 |
1556.4 |
-14.6 |
0.265 |
18 |
5 |
0 |
1.000 |
2 |
|
B |
161 |
38 |
20108 |
◊ |
A |
x,y,z |
1_555 |
168 |
40 |
20394 |
1545.5 |
-15.0 |
0.227 |
19 |
6 |
0 |
1.000 |
3 |
|
C |
162 |
40 |
20150 |
◊ |
D |
x,y,z |
1_555 |
167 |
39 |
20495 |
1534.3 |
-15.9 |
0.195 |
17 |
7 |
0 |
1.000 |
4 |
|
G |
171 |
41 |
19848 |
◊ |
H |
x,y,z |
1_555 |
169 |
39 |
20601 |
1522.0 |
-16.0 |
0.168 |
19 |
7 |
0 |
1.000 |
Average: |
1539.5 |
-15.4 |
0.214 |
18 |
6 |
0 |
1.000 |
2 |
5 |
|
C |
104 |
31 |
20150 |
◊ |
A |
x,y,z |
1_555 |
107 |
31 |
20394 |
934.3 |
-5.3 |
0.516 |
7 |
3 |
0 |
0.236 |
6 |
|
G |
104 |
31 |
19848 |
◊ |
E |
x,y,z |
1_555 |
94 |
30 |
20547 |
905.3 |
-5.2 |
0.448 |
6 |
4 |
0 |
0.236 |
7 |
|
B |
102 |
32 |
20108 |
◊ |
D |
x,y,z |
1_555 |
95 |
29 |
20495 |
894.4 |
-6.6 |
0.379 |
5 |
4 |
0 |
0.236 |
8 |
|
F |
101 |
29 |
20012 |
◊ |
H |
x,y,z |
1_555 |
89 |
28 |
20601 |
891.6 |
-5.2 |
0.487 |
9 |
3 |
0 |
0.236 |
Average: |
906.4 |
-5.6 |
0.458 |
7 |
4 |
0 |
0.236 |
3 |
9 |
|
F |
66 |
23 |
20012 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
65 |
23 |
20012 |
652.6 |
5.4 |
0.972 |
8 |
2 |
0 |
0.000 |
4 |
10 |
|
E |
62 |
21 |
20547 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
53 |
17 |
20150 |
526.0 |
-5.7 |
0.323 |
4 |
1 |
0 |
0.179 |
5 |
11 |
|
G |
54 |
15 |
19848 |
◊ |
A |
-x+1,y-1,-z |
2_645 |
53 |
18 |
20394 |
489.1 |
-1.1 |
0.549 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
47 |
15 |
20150 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
20108 |
445.2 |
-3.7 |
0.449 |
4 |
0 |
0 |
0.071 |
13 |
|
G |
50 |
16 |
19848 |
◊ |
F |
x,y,z |
1_555 |
45 |
14 |
20012 |
420.4 |
-3.4 |
0.448 |
4 |
0 |
0 |
0.071 |
Average: |
432.8 |
-3.5 |
0.449 |
4 |
0 |
0 |
0.071 |
7 |
14 |
|
D |
47 |
15 |
20495 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
20394 |
438.5 |
-3.4 |
0.440 |
5 |
0 |
0 |
0.073 |
15 |
|
H |
48 |
15 |
20601 |
◊ |
E |
x,y,z |
1_555 |
42 |
13 |
20547 |
420.6 |
-3.5 |
0.416 |
5 |
0 |
0 |
0.073 |
Average: |
429.5 |
-3.5 |
0.428 |
5 |
0 |
0 |
0.073 |
8 |
16 |
|
A |
54 |
14 |
20394 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
41 |
11 |
20394 |
435.8 |
-0.1 |
0.729 |
7 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
52 |
15 |
20108 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
44 |
13 |
20601 |
389.6 |
0.2 |
0.650 |
4 |
0 |
0 |
0.000 |
10 |
18 |
|
C |
40 |
11 |
20150 |
◊ |
D |
-x+1,y,-z |
2_655 |
45 |
18 |
20495 |
379.1 |
-3.2 |
0.365 |
3 |
1 |
0 |
0.000 |
11 |
19 |
|
E |
33 |
14 |
20547 |
◊ |
D |
-x+1,y,-z |
2_655 |
40 |
16 |
20495 |
324.2 |
-1.9 |
0.545 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
F |
32 |
8 |
20012 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
29 |
9 |
20547 |
305.6 |
-0.7 |
0.660 |
4 |
2 |
0 |
0.000 |
13 |
21 |
|
E |
26 |
8 |
20547 |
◊ |
E |
-x+1,y,-z |
2_655 |
27 |
8 |
20547 |
230.1 |
-0.4 |
0.681 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
H |
22 |
7 |
20601 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
24 |
7 |
20108 |
225.2 |
0.8 |
0.796 |
5 |
0 |
0 |
0.000 |
15 |
23 |
|
[NAG]H:532 |
14 |
1 |
363 |
cf |
H |
x,y,z |
1_555 |
33 |
9 |
20601 |
182.6 |
3.9 |
0.377 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
[NAG]E:21 |
14 |
1 |
361 |
cf |
E |
x,y,z |
1_555 |
27 |
8 |
20547 |
168.7 |
3.8 |
0.360 |
2 |
0 |
0 |
0.000 |
25 |
|
[NAG]D:17 |
14 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
26 |
9 |
20495 |
158.2 |
2.9 |
0.282 |
2 |
0 |
0 |
0.000 |
Average: |
163.5 |
3.4 |
0.321 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
[NAG]E:723 |
11 |
1 |
359 |
cf |
F |
x,y,z |
1_555 |
21 |
6 |
20012 |
165.2 |
2.7 |
0.337 |
2 |
0 |
0 |
0.000 |
18 |
27 |
|
[NAG]G:24 |
12 |
1 |
358 |
cf |
G |
x,y,z |
1_555 |
20 |
7 |
19848 |
154.0 |
3.0 |
0.341 |
1 |
0 |
0 |
0.000 |
28 |
|
[NAG]C:11 |
12 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
21 |
7 |
20150 |
147.7 |
2.7 |
0.316 |
1 |
0 |
0 |
0.000 |
Average: |
150.9 |
2.9 |
0.328 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[NAG]A:4 |
14 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
26 |
8 |
20394 |
151.1 |
3.5 |
0.276 |
2 |
0 |
0 |
0.000 |
20 |
30 |
|
F |
16 |
6 |
20012 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
21 |
7 |
20495 |
143.8 |
-2.1 |
0.358 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[NAG]D:13 |
10 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
18 |
5 |
20495 |
137.8 |
3.2 |
0.445 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]H:530 |
10 |
1 |
360 |
cf |
H |
x,y,z |
1_555 |
17 |
5 |
20601 |
135.9 |
3.4 |
0.488 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]A:1 |
10 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
20394 |
135.8 |
3.3 |
0.445 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]E:19 |
10 |
1 |
358 |
cf |
E |
x,y,z |
1_555 |
19 |
5 |
20547 |
131.5 |
3.1 |
0.453 |
0 |
0 |
0 |
0.000 |
Average: |
135.2 |
3.3 |
0.458 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[NDG]B:8 |
12 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
20108 |
131.6 |
3.2 |
0.285 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[SO4]A:708 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
20394 |
110.8 |
-19.7 |
0.702 |
2 |
0 |
0 |
0.881 |
24 |
37 |
|
[SO4]D:717 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
20495 |
110.8 |
-19.8 |
0.680 |
1 |
0 |
0 |
0.819 |
25 |
38 |
|
[SO4]H:535 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
23 |
10 |
20601 |
107.0 |
-16.2 |
0.752 |
2 |
0 |
0 |
0.341 |
26 |
39 |
|
[SO4]H:534 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
29 |
7 |
20601 |
99.9 |
-17.6 |
0.705 |
1 |
0 |
0 |
0.361 |
27 |
40 |
|
[NAG]A:707 |
9 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
20394 |
85.3 |
2.3 |
0.365 |
1 |
0 |
0 |
0.000 |
28 |
41 |
|
G |
11 |
6 |
19848 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
10 |
6 |
20150 |
81.9 |
-0.7 |
0.503 |
1 |
1 |
0 |
0.000 |
29 |
42 |
|
[NAG]D:716 |
7 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
20495 |
81.2 |
2.0 |
0.408 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[NDG]B:8 |
7 |
1 |
352 |
cf |
[NAG]B:9 |
x,y,z |
1_555 |
9 |
1 |
353 |
74.7 |
2.0 |
0.069 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[NAG]E:20 |
10 |
1 |
359 |
cf |
[NAG]E:19 |
x,y,z |
1_555 |
7 |
1 |
358 |
73.8 |
2.0 |
0.082 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[NAG]C:12 |
10 |
1 |
355 |
cf |
[NAG]C:11 |
x,y,z |
1_555 |
6 |
1 |
356 |
73.3 |
1.7 |
0.096 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:2 |
10 |
1 |
354 |
cf |
[NAG]A:1 |
x,y,z |
1_555 |
6 |
1 |
357 |
72.5 |
1.9 |
0.098 |
0 |
0 |
0 |
0.000 |
Average: |
72.9 |
1.8 |
0.097 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[NAG]G:25 |
9 |
1 |
350 |
cf |
[NAG]G:24 |
x,y,z |
1_555 |
6 |
1 |
358 |
71.9 |
1.8 |
0.107 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[NAG]H:531 |
10 |
1 |
355 |
cf |
[NAG]H:530 |
x,y,z |
1_555 |
7 |
1 |
360 |
71.7 |
1.8 |
0.082 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
C |
10 |
3 |
20150 |
◊ |
C |
-x+1,y,-z |
2_655 |
10 |
3 |
20150 |
71.6 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[NAG]D:18 |
9 |
1 |
352 |
cf |
[NAG]D:17 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.1 |
1.7 |
0.105 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]E:22 |
10 |
1 |
353 |
cf |
[NAG]E:21 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.2 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
Average: |
70.1 |
1.7 |
0.098 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[NAG]D:14 |
8 |
1 |
354 |
cf |
[NAG]D:13 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.0 |
2.2 |
0.156 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]H:533 |
10 |
1 |
361 |
cf |
[NAG]H:532 |
x,y,z |
1_555 |
7 |
1 |
363 |
69.8 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
Average: |
70.4 |
2.1 |
0.124 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
[NAG]D:18 |
8 |
1 |
352 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
20495 |
69.3 |
2.3 |
0.453 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[NAG]A:5 |
9 |
1 |
353 |
cf |
[NAG]A:4 |
x,y,z |
1_555 |
5 |
1 |
355 |
68.6 |
2.0 |
0.123 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[BMA]B:10 |
6 |
1 |
292 |
cf |
[NAG]B:9 |
x,y,z |
1_555 |
6 |
1 |
353 |
63.3 |
1.6 |
0.164 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[BMA]A:6 |
5 |
1 |
289 |
cf |
[NAG]A:5 |
x,y,z |
1_555 |
7 |
1 |
353 |
62.5 |
1.6 |
0.154 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
B |
8 |
4 |
20108 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
5 |
3 |
19848 |
62.0 |
-0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
[BMA]D:15 |
6 |
1 |
293 |
cf |
[NAG]D:14 |
x,y,z |
1_555 |
6 |
1 |
354 |
61.6 |
1.6 |
0.150 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
[BMA]A:3 |
7 |
1 |
291 |
cf |
[NAG]A:2 |
x,y,z |
1_555 |
6 |
1 |
354 |
61.2 |
1.3 |
0.110 |
1 |
0 |
0 |
0.000 |
45 |
61 |
|
[NAG]G:726 |
8 |
1 |
356 |
cf |
G |
x,y,z |
1_555 |
4 |
2 |
19848 |
59.0 |
1.8 |
0.308 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
[NAG]H:533 |
6 |
1 |
361 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
20601 |
58.2 |
1.6 |
0.425 |
0 |
0 |
0 |
0.000 |
47 |
63 |
|
[NAG]G:726 |
7 |
1 |
356 |
◊ |
A |
-x+1,y-1,-z |
2_645 |
3 |
1 |
20394 |
46.7 |
-0.2 |
0.063 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
A |
8 |
3 |
20394 |
◊ |
G |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
19848 |
45.9 |
0.8 |
0.683 |
0 |
0 |
0 |
0.000 |
49 |
65 |
|
[NAG]E:22 |
6 |
1 |
353 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
20547 |
41.4 |
1.3 |
0.411 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[NAG]C:12 |
5 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
20150 |
35.4 |
0.4 |
0.222 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[SO4]H:535 |
3 |
1 |
185 |
f |
[SO4]H:534 |
x,y,z |
1_555 |
4 |
1 |
184 |
33.3 |
-7.5 |
0.995 |
0 |
0 |
0 |
0.150 |
52 |
68 |
|
[NAG]A:5 |
6 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20394 |
31.1 |
0.6 |
0.316 |
0 |
0 |
0 |
0.000 |
53 |
69 |
|
E |
7 |
3 |
20547 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
20495 |
30.9 |
-0.2 |
0.374 |
0 |
0 |
0 |
0.000 |
54 |
70 |
|
[NAG]D:14 |
1 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
20495 |
29.4 |
0.6 |
0.389 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
H |
2 |
1 |
20601 |
◊ |
[NDG]B:8 |
-x+1,y-1,-z+1 |
2_646 |
3 |
1 |
352 |
22.5 |
0.9 |
0.399 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[NAG]D:716 |
4 |
1 |
353 |
◊ |
[NAG]D:716 |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
353 |
20.0 |
-0.2 |
0.064 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[NAG]E:20 |
2 |
1 |
359 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
20547 |
18.4 |
0.3 |
0.358 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
[NAG]G:25 |
3 |
1 |
350 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
19848 |
16.0 |
0.1 |
0.239 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
[NAG]D:18 |
1 |
1 |
352 |
◊ |
E |
-x+1,y,-z |
2_655 |
6 |
3 |
20547 |
15.6 |
0.5 |
0.691 |
0 |
0 |
0 |
0.000 |
60 |
76 |
|
E |
3 |
2 |
20547 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
20495 |
13.8 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
[NAG]A:2 |
2 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
20394 |
13.1 |
0.2 |
0.315 |
0 |
0 |
0 |
0.000 |
62 |
78 |
|
B |
1 |
1 |
20108 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
20601 |
13.0 |
-0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
63 |
79 |
|
H |
2 |
2 |
20601 |
◊ |
[NAG]B:9 |
-x+1,y-1,-z+1 |
2_646 |
2 |
1 |
353 |
12.3 |
0.1 |
0.356 |
0 |
0 |
0 |
0.000 |
64 |
80 |
|
[NAG]E:19 |
1 |
1 |
358 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
2 |
1 |
20150 |
10.6 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
65 |
81 |
|
H |
1 |
1 |
20601 |
◊ |
[BMA]B:10 |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
292 |
9.6 |
-0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
66 |
82 |
|
[NAG]H:531 |
2 |
1 |
355 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
20601 |
8.9 |
0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
67 |
83 |
|
F |
1 |
1 |
20012 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
20108 |
8.8 |
0.4 |
0.889 |
0 |
0 |
0 |
0.000 |
68 |
84 |
|
H |
3 |
3 |
20601 |
◊ |
C |
-x+1,y-1,-z+1 |
2_646 |
3 |
3 |
20150 |
7.8 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
69 |
85 |
|
[NAG]G:726 |
1 |
1 |
356 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
2 |
2 |
20150 |
4.6 |
0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
70 |
86 |
|
[NAG]D:17 |
1 |
1 |
361 |
◊ |
E |
-x+1,y,-z |
2_655 |
2 |
1 |
20547 |
3.8 |
-0.0 |
0.266 |
0 |
0 |
0 |
0.000 |
71 |
87 |
|
F |
1 |
1 |
20012 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
20495 |
3.7 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
72 |
88 |
|
[NAG]B:9 |
1 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20108 |
0.9 |
0.0 |
0.269 |
0 |
0 |
0 |
0.000 |
|