## |
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 |
|
A |
80 |
20 |
14642 |
◊ |
B |
-x,-y,z-1/2 |
2_554 |
81 |
21 |
14648 |
696.7 |
-4.4 |
0.410 |
9 |
10 |
0 |
0.000 |
2 |
|
C |
82 |
21 |
14721 |
◊ |
D |
-y+1,x,z+3/4 |
3_655 |
80 |
22 |
14737 |
688.1 |
-4.8 |
0.375 |
6 |
6 |
0 |
0.000 |
Average: |
692.4 |
-4.6 |
0.392 |
8 |
8 |
0 |
0.000 |
2 |
3 |
|
D |
52 |
16 |
14737 |
◊ |
C |
x,y,z |
1_555 |
51 |
15 |
14721 |
427.8 |
-3.2 |
0.391 |
9 |
0 |
0 |
0.000 |
4 |
|
B |
50 |
15 |
14648 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
51 |
16 |
14642 |
419.9 |
-3.1 |
0.405 |
9 |
0 |
0 |
0.000 |
Average: |
423.9 |
-3.1 |
0.398 |
9 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
42 |
13 |
14648 |
◊ |
A |
-y,x,z+3/4 |
3_555 |
39 |
12 |
14642 |
387.5 |
-5.4 |
0.148 |
6 |
0 |
0 |
0.000 |
6 |
|
D |
40 |
13 |
14737 |
◊ |
C |
x,y,z-1 |
1_554 |
42 |
13 |
14721 |
385.4 |
-5.3 |
0.154 |
6 |
0 |
0 |
0.000 |
Average: |
386.4 |
-5.3 |
0.151 |
6 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
34 |
12 |
14642 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
10 |
14737 |
284.8 |
-0.9 |
0.553 |
2 |
2 |
0 |
0.000 |
5 |
8 |
|
[NDG]C:-2 |
14 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
14721 |
213.0 |
4.9 |
0.519 |
4 |
0 |
0 |
0.000 |
9 |
|
[NDG]D:-2 |
14 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
41 |
13 |
14737 |
212.6 |
5.2 |
0.533 |
3 |
0 |
0 |
0.000 |
10 |
|
[NDG]B:-2 |
14 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
43 |
14 |
14648 |
211.9 |
5.1 |
0.534 |
4 |
0 |
0 |
0.000 |
11 |
|
[NDG]A:-2 |
14 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
45 |
15 |
14642 |
211.1 |
5.2 |
0.529 |
4 |
0 |
0 |
0.000 |
Average: |
212.2 |
5.1 |
0.529 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
[NAG]D:2 |
13 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
35 |
11 |
14737 |
204.1 |
3.6 |
0.385 |
2 |
0 |
0 |
0.000 |
13 |
|
[NAG]C:2 |
14 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
14721 |
198.6 |
4.0 |
0.367 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:2 |
14 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
14642 |
188.5 |
3.9 |
0.370 |
2 |
0 |
0 |
0.000 |
Average: |
197.1 |
3.9 |
0.374 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
[NAG]C:-3 |
13 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
34 |
11 |
14721 |
203.3 |
4.3 |
0.425 |
2 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:-3 |
13 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
32 |
11 |
14648 |
202.2 |
4.2 |
0.377 |
3 |
0 |
0 |
0.000 |
17 |
|
[NAG]D:-3 |
13 |
1 |
359 |
f |
D |
x,y,z |
1_555 |
34 |
11 |
14737 |
201.2 |
4.4 |
0.425 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:-3 |
13 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
33 |
9 |
14642 |
198.5 |
4.1 |
0.415 |
2 |
0 |
0 |
0.000 |
Average: |
201.3 |
4.2 |
0.410 |
2 |
0 |
0 |
0.000 |
8 |
19 |
|
[NDG]B:2 |
13 |
1 |
370 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
14648 |
194.4 |
3.7 |
0.353 |
2 |
0 |
0 |
0.000 |
9 |
20 |
|
[NAG]D:1 |
14 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
32 |
10 |
14737 |
190.8 |
3.2 |
0.330 |
2 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:1 |
14 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
14648 |
189.8 |
3.2 |
0.309 |
2 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:1 |
14 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
14642 |
188.7 |
3.3 |
0.305 |
2 |
0 |
0 |
0.000 |
Average: |
189.8 |
3.2 |
0.315 |
2 |
0 |
0 |
0.000 |
10 |
23 |
|
[NAG]C:1 |
14 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
31 |
9 |
14721 |
187.0 |
3.1 |
0.315 |
2 |
0 |
0 |
0.000 |
11 |
24 |
|
[NAG]A:-1 |
14 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
34 |
16 |
14642 |
186.1 |
4.4 |
0.497 |
4 |
0 |
0 |
0.000 |
25 |
|
[NAG]D:-1 |
14 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
36 |
16 |
14737 |
185.7 |
4.3 |
0.517 |
4 |
0 |
0 |
0.000 |
26 |
|
[NAG]B:-1 |
14 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
14648 |
185.3 |
4.3 |
0.519 |
4 |
0 |
0 |
0.000 |
Average: |
185.7 |
4.3 |
0.511 |
4 |
0 |
0 |
0.000 |
12 |
27 |
|
[NAG]C:-1 |
14 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
35 |
16 |
14721 |
186.0 |
4.1 |
0.469 |
4 |
0 |
0 |
0.000 |
13 |
28 |
|
[NAG]A:411 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
24 |
7 |
14642 |
145.0 |
3.9 |
0.444 |
2 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:421 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
25 |
8 |
14648 |
143.5 |
3.3 |
0.423 |
3 |
0 |
0 |
0.000 |
30 |
|
[NAG]D:441 |
12 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
24 |
7 |
14737 |
141.8 |
3.6 |
0.424 |
2 |
0 |
0 |
0.000 |
31 |
|
[NAG]C:431 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
24 |
8 |
14721 |
138.7 |
3.4 |
0.429 |
2 |
0 |
0 |
0.000 |
Average: |
142.3 |
3.5 |
0.430 |
2 |
0 |
0 |
0.000 |
14 |
32 |
|
A |
14 |
4 |
14642 |
◊ |
D |
-y+1,x,z-1/4 |
3_654 |
17 |
7 |
14737 |
136.5 |
-0.2 |
0.534 |
4 |
2 |
0 |
0.000 |
15 |
33 |
|
C |
15 |
8 |
14721 |
◊ |
A |
-y,x,z+3/4 |
3_555 |
15 |
9 |
14642 |
120.6 |
-1.0 |
0.455 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
[NAG]A:3 |
13 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14642 |
105.6 |
1.0 |
0.140 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]D:3 |
11 |
1 |
371 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
14737 |
99.3 |
-0.1 |
0.120 |
1 |
0 |
0 |
0.000 |
36 |
|
[NAG]C:3 |
10 |
1 |
371 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
14721 |
97.9 |
1.1 |
0.259 |
1 |
0 |
0 |
0.000 |
Average: |
100.9 |
0.7 |
0.173 |
1 |
0 |
0 |
0.000 |
17 |
37 |
|
[NAG]B:422 |
8 |
1 |
362 |
cf |
[NAG]B:421 |
x,y,z |
1_555 |
6 |
1 |
363 |
78.8 |
1.8 |
0.130 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:412 |
8 |
1 |
359 |
cf |
[NAG]A:411 |
x,y,z |
1_555 |
7 |
1 |
364 |
76.3 |
1.6 |
0.097 |
2 |
0 |
0 |
0.000 |
39 |
|
[NAG]D:442 |
9 |
1 |
360 |
cf |
[NAG]D:441 |
x,y,z |
1_555 |
7 |
1 |
363 |
73.7 |
1.5 |
0.082 |
0 |
0 |
0 |
0.000 |
Average: |
76.3 |
1.6 |
0.103 |
1 |
0 |
0 |
0.000 |
18 |
40 |
|
[NAG]A:3 |
7 |
1 |
364 |
cf |
[NAG]A:2 |
x,y,z |
1_555 |
9 |
1 |
362 |
76.7 |
2.1 |
0.105 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]C:3 |
7 |
1 |
371 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
10 |
1 |
362 |
74.0 |
1.9 |
0.085 |
1 |
0 |
0 |
0.000 |
42 |
|
[NAG]D:3 |
7 |
1 |
371 |
cf |
[NAG]D:2 |
x,y,z |
1_555 |
9 |
1 |
364 |
73.2 |
1.8 |
0.108 |
1 |
0 |
0 |
0.000 |
Average: |
74.6 |
1.9 |
0.099 |
1 |
0 |
0 |
0.000 |
19 |
43 |
|
[NAG]C:432 |
8 |
1 |
360 |
cf |
[NAG]C:431 |
x,y,z |
1_555 |
7 |
1 |
360 |
75.0 |
1.6 |
0.098 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]C:2 |
6 |
1 |
362 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
8 |
1 |
361 |
72.3 |
2.1 |
0.140 |
1 |
0 |
0 |
0.000 |
Average: |
73.7 |
1.8 |
0.119 |
1 |
0 |
0 |
0.000 |
20 |
45 |
|
D |
7 |
2 |
14737 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
6 |
3 |
14642 |
73.0 |
-0.0 |
0.544 |
1 |
0 |
0 |
0.000 |
21 |
46 |
|
[NDG]B:2 |
6 |
1 |
370 |
cf |
[NAG]B:1 |
x,y,z |
1_555 |
9 |
1 |
364 |
70.8 |
1.7 |
0.074 |
1 |
0 |
0 |
0.000 |
22 |
47 |
|
[NAG]A:2 |
6 |
1 |
362 |
cf |
[NAG]A:1 |
x,y,z |
1_555 |
9 |
1 |
362 |
69.6 |
1.7 |
0.104 |
1 |
0 |
0 |
0.000 |
48 |
|
[NAG]D:2 |
7 |
1 |
364 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
9 |
1 |
365 |
67.6 |
1.5 |
0.082 |
1 |
0 |
0 |
0.000 |
Average: |
68.6 |
1.6 |
0.093 |
1 |
0 |
0 |
0.000 |
23 |
49 |
|
[NDG]C:-2 |
7 |
1 |
364 |
cf |
[NAG]C:-3 |
x,y,z |
1_555 |
9 |
1 |
359 |
64.8 |
2.1 |
0.069 |
1 |
0 |
0 |
0.000 |
50 |
|
[NDG]A:-2 |
6 |
1 |
362 |
cf |
[NAG]A:-3 |
x,y,z |
1_555 |
9 |
1 |
359 |
64.7 |
2.2 |
0.119 |
0 |
0 |
0 |
0.000 |
51 |
|
[NDG]B:-2 |
5 |
1 |
361 |
cf |
[NAG]B:-3 |
x,y,z |
1_555 |
9 |
1 |
356 |
61.8 |
2.0 |
0.105 |
0 |
0 |
0 |
0.000 |
52 |
|
[NDG]D:-2 |
6 |
1 |
363 |
cf |
[NAG]D:-3 |
x,y,z |
1_555 |
10 |
1 |
359 |
61.7 |
1.9 |
0.070 |
0 |
0 |
0 |
0.000 |
Average: |
63.3 |
2.1 |
0.091 |
0 |
0 |
0 |
0.000 |
24 |
53 |
|
[NAG]D:1 |
7 |
1 |
365 |
cf |
[NAG]D:-1 |
x,y,z |
1_555 |
7 |
1 |
362 |
62.4 |
1.3 |
0.125 |
1 |
0 |
0 |
0.000 |
54 |
|
[NAG]A:1 |
7 |
1 |
362 |
cf |
[NAG]A:-1 |
x,y,z |
1_555 |
7 |
1 |
363 |
61.8 |
1.4 |
0.114 |
1 |
0 |
0 |
0.000 |
55 |
|
[NAG]B:1 |
7 |
1 |
364 |
cf |
[NAG]B:-1 |
x,y,z |
1_555 |
7 |
1 |
361 |
61.6 |
1.4 |
0.121 |
1 |
0 |
0 |
0.000 |
Average: |
61.9 |
1.4 |
0.120 |
1 |
0 |
0 |
0.000 |
25 |
56 |
|
[NDG]B:-2 |
9 |
1 |
361 |
cf |
[NAG]B:-1 |
x,y,z |
1_555 |
7 |
1 |
361 |
61.8 |
2.0 |
0.110 |
1 |
0 |
0 |
0.000 |
57 |
|
[NDG]A:-2 |
9 |
1 |
362 |
cf |
[NAG]A:-1 |
x,y,z |
1_555 |
7 |
1 |
363 |
61.1 |
2.0 |
0.100 |
1 |
0 |
0 |
0.000 |
58 |
|
[NDG]D:-2 |
10 |
1 |
363 |
cf |
[NAG]D:-1 |
x,y,z |
1_555 |
7 |
1 |
362 |
60.7 |
1.9 |
0.085 |
1 |
0 |
0 |
0.000 |
Average: |
61.2 |
1.9 |
0.098 |
1 |
0 |
0 |
0.000 |
26 |
59 |
|
[NAG]C:1 |
7 |
1 |
361 |
cf |
[NAG]C:-1 |
x,y,z |
1_555 |
7 |
1 |
361 |
59.9 |
1.3 |
0.117 |
1 |
0 |
0 |
0.000 |
27 |
60 |
|
[NDG]C:-2 |
8 |
1 |
364 |
cf |
[NAG]C:-1 |
x,y,z |
1_555 |
6 |
1 |
361 |
59.5 |
1.6 |
0.100 |
0 |
0 |
0 |
0.000 |
28 |
61 |
|
B |
6 |
1 |
14648 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
7 |
1 |
14721 |
56.6 |
1.2 |
0.862 |
0 |
0 |
0 |
0.000 |
29 |
62 |
|
B |
8 |
5 |
14648 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
7 |
3 |
14721 |
40.9 |
-0.4 |
0.485 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
[NAG]D:3 |
4 |
1 |
371 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
4 |
2 |
14648 |
36.3 |
0.7 |
0.327 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
[NAG]B:422 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
14648 |
31.2 |
0.1 |
0.176 |
0 |
0 |
0 |
0.000 |
32 |
65 |
|
D |
3 |
1 |
14737 |
x |
D |
-y+1,x,z-1/4 |
3_654 |
4 |
1 |
14737 |
26.9 |
0.9 |
0.868 |
1 |
0 |
0 |
0.000 |
66 |
|
A |
3 |
1 |
14642 |
x |
A |
-y,x,z-1/4 |
3_554 |
4 |
1 |
14642 |
25.6 |
0.8 |
0.861 |
1 |
0 |
0 |
0.000 |
67 |
|
B |
3 |
1 |
14648 |
x |
B |
-y,x,z-1/4 |
3_554 |
3 |
1 |
14648 |
20.6 |
0.7 |
0.852 |
0 |
0 |
0 |
0.000 |
68 |
|
C |
4 |
1 |
14721 |
x |
C |
-y+1,x,z-1/4 |
3_654 |
2 |
1 |
14721 |
19.7 |
0.6 |
0.839 |
0 |
0 |
0 |
0.000 |
Average: |
23.2 |
0.8 |
0.855 |
1 |
0 |
0 |
0.000 |
33 |
69 |
|
[NAG]C:432 |
4 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
14721 |
26.2 |
0.6 |
0.402 |
0 |
0 |
0 |
0.000 |
34 |
70 |
|
[NAG]C:3 |
3 |
1 |
371 |
◊ |
[NAG]A:3 |
-y,x,z+3/4 |
3_555 |
5 |
1 |
364 |
21.8 |
0.7 |
0.169 |
0 |
0 |
0 |
0.000 |
35 |
71 |
|
[NDG]C:-2 |
4 |
1 |
364 |
f |
[NAG]C:1 |
x,y,z |
1_555 |
2 |
1 |
361 |
19.2 |
0.4 |
0.157 |
0 |
0 |
0 |
0.000 |
72 |
|
[NDG]D:-2 |
4 |
1 |
363 |
f |
[NAG]D:1 |
x,y,z |
1_555 |
2 |
1 |
365 |
18.8 |
0.6 |
0.177 |
0 |
0 |
0 |
0.000 |
73 |
|
[NDG]B:-2 |
4 |
1 |
361 |
f |
[NAG]B:1 |
x,y,z |
1_555 |
2 |
1 |
364 |
18.7 |
0.6 |
0.161 |
0 |
0 |
0 |
0.000 |
74 |
|
[NDG]A:-2 |
3 |
1 |
362 |
f |
[NAG]A:1 |
x,y,z |
1_555 |
2 |
1 |
362 |
17.3 |
0.5 |
0.169 |
0 |
0 |
0 |
0.000 |
Average: |
18.5 |
0.5 |
0.166 |
0 |
0 |
0 |
0.000 |
36 |
75 |
|
[NAG]A:412 |
3 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
14642 |
19.2 |
0.3 |
0.373 |
0 |
0 |
0 |
0.000 |
37 |
76 |
|
D |
4 |
2 |
14737 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
3 |
2 |
14648 |
17.9 |
-0.6 |
0.316 |
0 |
0 |
0 |
0.000 |
38 |
77 |
|
[NAG]A:-3 |
2 |
1 |
359 |
◊ |
D |
-y+1,x,z-1/4 |
3_654 |
3 |
1 |
14737 |
11.1 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
39 |
78 |
|
[NAG]D:442 |
2 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
14737 |
7.1 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
40 |
79 |
|
B |
3 |
1 |
14648 |
◊ |
[NAG]C:-3 |
-x,-y+1,z-1/2 |
2_564 |
2 |
1 |
359 |
3.9 |
0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
41 |
80 |
|
C |
1 |
1 |
14721 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14648 |
3.5 |
0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
42 |
81 |
|
[NDG]B:2 |
1 |
1 |
370 |
f |
[NAG]B:-1 |
x,y,z |
1_555 |
1 |
1 |
361 |
0.5 |
-0.0 |
0.098 |
0 |
0 |
0 |
0.000 |
43 |
82 |
|
C |
1 |
1 |
14721 |
◊ |
[NAG]A:3 |
-y,x,z+3/4 |
3_555 |
1 |
1 |
364 |
0.5 |
0.0 |
0.272 |
0 |
0 |
0 |
0.000 |
|