## |
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 |
506 |
126 |
21387 |
◊ |
A |
x,y,z |
1_555 |
506 |
122 |
21005 |
5087.4 |
-93.2 |
0.609 |
35 |
11 |
1 |
0.415 |
2 |
2 |
|
[IEP]B:413 |
60 |
1 |
1306 |
f |
B |
x,y,z |
1_555 |
70 |
18 |
21387 |
623.8 |
-10.3 |
0.340 |
1 |
0 |
0 |
0.039 |
3 |
3 |
|
[IEP]A:410 |
59 |
1 |
1332 |
f |
A |
x,y,z |
1_555 |
72 |
21 |
21005 |
593.7 |
-9.0 |
0.518 |
2 |
0 |
0 |
0.036 |
4 |
4 |
|
[Q6F]B:415 |
23 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
68 |
24 |
21387 |
411.4 |
-13.8 |
0.679 |
4 |
0 |
0 |
0.114 |
5 |
|
[Q6F]A:408 |
23 |
1 |
555 |
f |
A |
x,y,z |
1_555 |
69 |
23 |
21005 |
400.8 |
-14.1 |
0.677 |
4 |
0 |
0 |
0.114 |
Average: |
406.1 |
-14.0 |
0.678 |
4 |
0 |
0 |
0.114 |
5 |
6 |
|
B |
43 |
15 |
21387 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
11 |
21387 |
366.7 |
-3.7 |
0.831 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
39 |
13 |
21005 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
37 |
13 |
21387 |
290.9 |
1.2 |
0.972 |
2 |
1 |
0 |
0.000 |
7 |
8 |
|
[R16]A:407 |
15 |
1 |
524 |
f |
A |
x,y,z |
1_555 |
38 |
14 |
21005 |
285.8 |
-8.1 |
0.656 |
0 |
0 |
0 |
0.029 |
8 |
9 |
|
B |
34 |
8 |
21387 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
7 |
21005 |
265.8 |
-2.2 |
0.843 |
0 |
4 |
0 |
0.000 |
9 |
10 |
|
[D12]B:408 |
12 |
1 |
424 |
f |
B |
x,y,z |
1_555 |
32 |
12 |
21387 |
229.3 |
6.2 |
0.533 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
27 |
8 |
21005 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
21005 |
228.2 |
-4.5 |
0.521 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[11A]B:414 |
13 |
1 |
432 |
f |
B |
x,y,z |
1_555 |
32 |
10 |
21387 |
227.9 |
-4.8 |
0.815 |
0 |
0 |
0 |
0.018 |
12 |
13 |
|
[11A]A:411 |
13 |
1 |
427 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
21005 |
219.5 |
-4.5 |
0.818 |
0 |
0 |
0 |
0.016 |
13 |
14 |
|
[IEP]B:413 |
25 |
1 |
1306 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
21005 |
211.6 |
-3.8 |
0.323 |
0 |
0 |
0 |
0.014 |
14 |
15 |
|
[B7G]A:409 |
13 |
1 |
499 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
21005 |
180.3 |
-0.9 |
0.341 |
0 |
0 |
0 |
0.003 |
15 |
16 |
|
[B7G]B:410 |
16 |
1 |
487 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
21387 |
175.6 |
3.0 |
0.412 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[OCT]B:405 |
8 |
1 |
325 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
21387 |
158.4 |
4.2 |
0.825 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
18 |
5 |
21387 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
21005 |
155.6 |
-1.9 |
0.579 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[R16]A:406 |
13 |
1 |
527 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
21005 |
151.9 |
-4.4 |
0.506 |
0 |
0 |
0 |
0.016 |
19 |
20 |
|
[UND]B:412 |
11 |
1 |
409 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
21387 |
148.9 |
2.0 |
0.092 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[IEP]A:410 |
13 |
1 |
1332 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21387 |
132.8 |
-2.7 |
0.349 |
0 |
0 |
0 |
0.010 |
21 |
22 |
|
A |
17 |
5 |
21005 |
x |
A |
x-1,y,z |
1_455 |
13 |
4 |
21005 |
130.2 |
-2.8 |
0.521 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[R16]A:405 |
12 |
1 |
538 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
21005 |
121.0 |
-3.6 |
0.747 |
0 |
0 |
0 |
0.013 |
23 |
24 |
|
[D12]B:407 |
9 |
1 |
429 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
21387 |
112.0 |
0.2 |
0.115 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[B7G]B:411 |
11 |
1 |
492 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21387 |
110.3 |
-1.1 |
0.188 |
0 |
0 |
0 |
0.004 |
25 |
26 |
|
[OCT]B:406 |
8 |
1 |
323 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
21387 |
109.1 |
2.7 |
0.787 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[R16]A:406 |
8 |
1 |
527 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
21387 |
99.1 |
-2.7 |
0.653 |
0 |
0 |
0 |
0.010 |
27 |
28 |
|
[LNK]B:416 |
5 |
1 |
244 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
21387 |
97.5 |
2.7 |
0.812 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[B7G]A:409 |
11 |
1 |
499 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
21005 |
85.2 |
0.3 |
0.318 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[K]B:401 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
21387 |
83.4 |
-53.8 |
0.000 |
0 |
0 |
0 |
0.195 |
30 |
31 |
|
[D12]B:407 |
6 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21005 |
80.3 |
1.7 |
0.234 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[11A]B:414 |
4 |
1 |
432 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
21005 |
79.1 |
-2.5 |
0.422 |
0 |
0 |
0 |
0.009 |
32 |
33 |
|
[IEP]B:413 |
9 |
1 |
1306 |
◊ |
[B7G]B:410 |
x,y,z |
1_555 |
8 |
1 |
487 |
78.9 |
1.8 |
0.472 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[UND]B:412 |
10 |
1 |
409 |
f |
[R16]A:406 |
x,y,z |
1_555 |
10 |
1 |
527 |
78.1 |
0.7 |
0.071 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[B7G]B:409 |
8 |
1 |
495 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
21005 |
72.4 |
0.8 |
0.488 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[CD]B:402 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21387 |
71.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.026 |
36 |
37 |
|
[IEP]B:413 |
10 |
1 |
1306 |
◊ |
[R16]A:405 |
x,y,z |
1_555 |
6 |
1 |
538 |
70.5 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[R16]A:405 |
8 |
1 |
538 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21387 |
70.0 |
-2.2 |
0.483 |
0 |
0 |
0 |
0.008 |
38 |
39 |
|
[LNK]B:416 |
4 |
1 |
244 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21005 |
65.3 |
2.9 |
0.951 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[K]A:401 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
21005 |
62.6 |
-40.2 |
0.000 |
0 |
0 |
0 |
0.072 |
41 |
|
[K]A:401 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21387 |
29.6 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
46.1 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.072 |
40 |
42 |
|
[CD]B:404 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
21387 |
59.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.019 |
41 |
43 |
|
[K]A:402 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
21387 |
58.6 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.132 |
44 |
|
[K]A:402 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
21005 |
57.8 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.132 |
45 |
|
[K]A:403 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
21387 |
53.4 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
56.6 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.132 |
42 |
46 |
|
[IEP]B:413 |
7 |
1 |
1306 |
f |
[B7G]B:411 |
x,y,z |
1_555 |
9 |
1 |
492 |
57.0 |
0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[K]A:412 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
21387 |
52.7 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.084 |
48 |
|
[K]A:412 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
21005 |
52.6 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
52.7 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.084 |
44 |
49 |
|
[K]A:404 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
21387 |
52.1 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.123 |
50 |
|
[K]A:403 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
21005 |
51.7 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.123 |
51 |
|
[K]A:404 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
21005 |
51.5 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
51.7 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.123 |
45 |
52 |
|
B |
5 |
2 |
21387 |
◊ |
[IEP]B:413 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
1306 |
51.7 |
-0.8 |
0.472 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
B |
4 |
2 |
21387 |
◊ |
[B7G]B:410 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
487 |
51.1 |
0.9 |
0.384 |
1 |
0 |
0 |
0.000 |
47 |
54 |
|
[B7G]B:409 |
6 |
1 |
495 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21387 |
50.2 |
0.2 |
0.365 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[CD]B:403 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21387 |
43.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[CD]B:403 |
1 |
1 |
112 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
21005 |
43.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[11A]A:411 |
6 |
1 |
427 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
21387 |
42.9 |
-1.4 |
0.548 |
0 |
0 |
0 |
0.005 |
50 |
58 |
|
[K]B:401 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
21005 |
41.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.086 |
51 |
59 |
|
A |
3 |
1 |
21005 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
2 |
21005 |
39.1 |
0.9 |
0.913 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[K]A:412 |
1 |
1 |
216 |
f |
[K]A:401 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.1 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.045 |
53 |
61 |
|
[K]A:412 |
1 |
1 |
216 |
f |
[K]A:404 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.4 |
-35.4 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
62 |
|
[K]A:404 |
1 |
1 |
216 |
f |
[K]A:403 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.8 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.043 |
55 |
63 |
|
[K]A:403 |
1 |
1 |
216 |
f |
[K]A:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.0 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.041 |
56 |
64 |
|
[UND]B:412 |
3 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21005 |
32.2 |
0.6 |
0.261 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[OCT]B:406 |
4 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21005 |
30.9 |
0.5 |
0.602 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[K]B:401 |
1 |
1 |
216 |
◊ |
[K]A:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
30.7 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.038 |
59 |
67 |
|
[IEP]B:413 |
3 |
1 |
1306 |
◊ |
[R16]A:406 |
x,y,z |
1_555 |
3 |
1 |
527 |
28.9 |
0.5 |
0.853 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[R16]A:405 |
2 |
1 |
538 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
21005 |
27.6 |
0.3 |
0.923 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
A |
3 |
1 |
21005 |
f |
[B7G]B:409 |
x-1,y,z |
1_455 |
3 |
1 |
495 |
20.1 |
0.5 |
0.521 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[11A]A:411 |
2 |
1 |
427 |
f |
[Q6F]A:408 |
x,y,z |
1_555 |
2 |
1 |
555 |
19.7 |
0.3 |
0.805 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[K]A:412 |
1 |
1 |
216 |
f |
[K]A:403 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.4 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.019 |
64 |
72 |
|
[B7G]B:410 |
2 |
1 |
487 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
21005 |
13.4 |
0.0 |
0.450 |
0 |
0 |
0 |
0.000 |
65 |
73 |
|
[K]A:404 |
1 |
1 |
216 |
f |
[K]A:402 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.3 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.016 |
66 |
74 |
|
[CD]B:404 |
1 |
1 |
112 |
f |
[Q6F]B:415 |
x,y,z |
1_555 |
2 |
1 |
557 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
67 |
75 |
|
[CD]B:402 |
1 |
1 |
112 |
f |
[Q6F]B:415 |
x,y,z |
1_555 |
2 |
1 |
557 |
9.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
68 |
76 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21005 |
8.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
77 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21387 |
7.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
78 |
|
A |
1 |
1 |
21005 |
◊ |
[IEP]B:413 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
1306 |
6.2 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
71 |
79 |
|
[CD]B:404 |
1 |
1 |
112 |
f |
[11A]B:414 |
x,y,z |
1_555 |
3 |
1 |
432 |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
72 |
80 |
|
[11A]B:414 |
3 |
1 |
432 |
f |
[Q6F]B:415 |
x,y,z |
1_555 |
2 |
1 |
557 |
3.6 |
-0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
73 |
81 |
|
[K]A:404 |
1 |
1 |
216 |
f |
[K]A:401 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
74 |
82 |
|
[B7G]A:409 |
1 |
1 |
499 |
f |
[B7G]B:409 |
x-1,y,z |
1_455 |
1 |
1 |
495 |
2.8 |
-0.0 |
0.263 |
0 |
0 |
0 |
0.000 |
75 |
83 |
|
[D12]B:407 |
1 |
1 |
429 |
f |
[IEP]A:410 |
x,y,z |
1_555 |
1 |
1 |
1332 |
0.8 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
|