## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
48 |
14 |
9423 |
◊ |
B |
x,y,z-1 |
1_554 |
50 |
15 |
9604 |
462.1 |
2.9 |
0.991 |
10 |
2 |
0 |
0.000 |
2 |
|
B |
36 |
10 |
9604 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
43 |
14 |
9604 |
396.1 |
-7.9 |
0.431 |
3 |
2 |
0 |
0.000 |
3 |
|
[LMT]B:3888 |
33 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
9604 |
381.4 |
1.1 |
0.704 |
1 |
0 |
0 |
0.000 |
4 |
|
[PGV]B:5136 |
24 |
1 |
645 |
f |
B |
x,y,z |
1_555 |
45 |
15 |
9604 |
343.2 |
-3.1 |
0.545 |
6 |
0 |
0 |
0.054 |
5 |
|
[LDA]A:3850 |
13 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
36 |
12 |
9423 |
253.3 |
2.6 |
0.321 |
0 |
0 |
0 |
0.000 |
6 |
|
[LDA]B:3837 |
12 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
9604 |
244.4 |
1.7 |
0.257 |
0 |
0 |
0 |
0.000 |
7 |
|
[LDA]B:3835 |
13 |
1 |
516 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
9423 |
173.9 |
1.2 |
0.270 |
0 |
0 |
0 |
0.000 |
8 |
|
[LDA]B:3836 |
14 |
1 |
514 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
9604 |
171.8 |
1.4 |
0.393 |
0 |
0 |
0 |
0.000 |
9 |
|
[LDA]B:3834 |
13 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
9604 |
166.4 |
0.7 |
0.291 |
0 |
0 |
0 |
0.000 |
10 |
|
[LDA]B:3847 |
9 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
9604 |
164.6 |
0.9 |
0.307 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
21 |
7 |
9423 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
7 |
9604 |
161.4 |
-2.0 |
0.748 |
1 |
0 |
0 |
0.000 |
12 |
|
[LDA]B:3835 |
13 |
1 |
516 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
9604 |
156.0 |
0.3 |
0.331 |
0 |
0 |
0 |
0.000 |
13 |
|
[LDA]B:3834 |
14 |
1 |
515 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
9423 |
146.6 |
-0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
14 |
|
[LDA]A:3842 |
8 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9423 |
133.4 |
1.1 |
0.451 |
0 |
0 |
0 |
0.000 |
15 |
|
[PGV]B:5139 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9604 |
130.8 |
-2.3 |
0.313 |
0 |
0 |
0 |
0.022 |
16 |
|
[PGV]B:5138 |
8 |
1 |
318 |
f |
B |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
4 |
9604 |
126.5 |
-0.3 |
0.301 |
0 |
0 |
0 |
0.002 |
17 |
|
[LDA]B:3841 |
10 |
1 |
381 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
9604 |
120.3 |
2.7 |
0.378 |
0 |
0 |
0 |
0.000 |
18 |
|
[LDA]B:3838 |
7 |
1 |
409 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9604 |
109.0 |
2.8 |
0.466 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
16 |
4 |
9604 |
◊ |
[LDA]B:3838 |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
1 |
409 |
107.7 |
1.5 |
0.253 |
0 |
0 |
0 |
0.000 |
20 |
|
[LDA]B:3848 |
11 |
1 |
436 |
◊ |
[LDA]A:3845 |
-x+2,y-1/2,-z+1 |
2_746 |
11 |
1 |
438 |
98.5 |
4.2 |
0.045 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
10 |
5 |
9604 |
◊ |
[LDA]B:3844 |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
1 |
463 |
93.3 |
1.2 |
0.240 |
0 |
0 |
0 |
0.000 |
22 |
|
[PO4]B:5156 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
9604 |
93.1 |
-6.0 |
0.895 |
2 |
0 |
0 |
0.064 |
23 |
|
[LDA]B:3840 |
8 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
13 |
2 |
9604 |
92.1 |
0.4 |
0.327 |
0 |
0 |
0 |
0.000 |
24 |
|
[LDA]B:3844 |
10 |
1 |
463 |
◊ |
[LDA]B:3843 |
x,y,z |
1_555 |
11 |
1 |
437 |
84.8 |
4.0 |
0.045 |
0 |
0 |
0 |
0.000 |
25 |
|
[LDA]B:3844 |
11 |
1 |
463 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
9604 |
83.2 |
0.8 |
0.137 |
0 |
0 |
0 |
0.000 |
26 |
|
[LDA]B:3841 |
7 |
1 |
381 |
◊ |
[LDA]B:3840 |
x,y,z |
1_555 |
8 |
1 |
354 |
80.3 |
3.2 |
0.167 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
7 |
3 |
9604 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9423 |
79.0 |
-2.5 |
0.236 |
0 |
0 |
0 |
0.000 |
28 |
|
[PGV]B:5137 |
8 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
9604 |
78.0 |
0.3 |
0.284 |
0 |
0 |
0 |
0.000 |
29 |
|
[LDA]B:3839 |
4 |
1 |
328 |
f |
[LDA]B:3836 |
x,y,z |
1_555 |
9 |
1 |
514 |
77.0 |
3.1 |
0.351 |
0 |
0 |
0 |
0.000 |
30 |
|
[LDA]B:3836 |
6 |
1 |
514 |
◊ |
[LDA]B:3835 |
x,y,z |
1_555 |
9 |
1 |
516 |
76.5 |
1.8 |
0.207 |
0 |
0 |
0 |
0.000 |
31 |
|
[LDA]B:3836 |
13 |
1 |
514 |
◊ |
[LDA]A:3845 |
x,y,z |
1_555 |
8 |
1 |
438 |
75.7 |
3.5 |
0.109 |
0 |
0 |
0 |
0.000 |
32 |
|
[LDA]B:3834 |
9 |
1 |
515 |
f |
[LDA]A:3842 |
x,y,z |
1_555 |
6 |
1 |
353 |
74.7 |
2.0 |
0.217 |
0 |
0 |
0 |
0.000 |
33 |
|
[LDA]B:3848 |
8 |
1 |
436 |
◊ |
[LDA]B:3846 |
x,y,z |
1_555 |
8 |
1 |
382 |
73.5 |
2.7 |
0.074 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
9 |
4 |
9423 |
◊ |
B |
x-1,y,z-1 |
1_454 |
10 |
5 |
9604 |
73.1 |
-1.6 |
0.558 |
0 |
0 |
0 |
0.000 |
35 |
|
[LDA]B:3848 |
7 |
1 |
436 |
◊ |
[LDA]B:3841 |
x,y,z |
1_555 |
8 |
1 |
381 |
72.6 |
1.7 |
0.062 |
0 |
0 |
0 |
0.000 |
36 |
|
[LDA]B:3846 |
5 |
1 |
382 |
◊ |
[LDA]B:3840 |
x,y,z |
1_555 |
5 |
1 |
354 |
72.2 |
2.5 |
0.231 |
0 |
0 |
0 |
0.000 |
37 |
|
[PGV]B:5138 |
4 |
1 |
318 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9604 |
70.3 |
1.7 |
0.574 |
0 |
0 |
0 |
0.000 |
38 |
|
[LDA]B:3846 |
8 |
1 |
382 |
◊ |
[LDA]B:3841 |
x,y,z |
1_555 |
7 |
1 |
381 |
62.3 |
2.4 |
0.097 |
0 |
0 |
0 |
0.000 |
39 |
|
[LDA]B:3839 |
7 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9604 |
62.3 |
-0.3 |
0.138 |
0 |
0 |
0 |
0.003 |
40 |
|
[PGV]B:5139 |
4 |
1 |
292 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
2 |
9604 |
54.5 |
0.5 |
0.394 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
5 |
2 |
9423 |
◊ |
[LDA]B:3840 |
x-1,y,z-1 |
1_454 |
7 |
1 |
354 |
52.4 |
0.9 |
0.249 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
6 |
3 |
9423 |
◊ |
[LDA]B:3847 |
x-1,y,z-1 |
1_454 |
8 |
1 |
353 |
51.8 |
0.5 |
0.232 |
0 |
0 |
0 |
0.000 |
43 |
|
[LDA]B:3839 |
5 |
1 |
328 |
◊ |
[LDA]B:3838 |
x,y,z |
1_555 |
9 |
1 |
409 |
50.7 |
1.7 |
0.113 |
0 |
0 |
0 |
0.000 |
44 |
|
[LDA]B:3848 |
4 |
1 |
436 |
◊ |
[LDA]B:3839 |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
1 |
328 |
47.9 |
1.3 |
0.145 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
5 |
1 |
9604 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
9423 |
47.7 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
6 |
1 |
9604 |
◊ |
[LDA]B:3839 |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
1 |
328 |
46.9 |
0.0 |
0.263 |
0 |
0 |
0 |
0.000 |
47 |
|
[LDA]B:3839 |
7 |
1 |
328 |
◊ |
[LDA]A:3845 |
x,y,z |
1_555 |
6 |
1 |
438 |
45.4 |
1.2 |
0.091 |
0 |
0 |
0 |
0.000 |
48 |
|
[LMT]B:3888 |
5 |
1 |
796 |
f |
[LDA]B:3840 |
x,y,z |
1_555 |
4 |
1 |
354 |
43.1 |
-1.8 |
0.138 |
0 |
0 |
0 |
0.017 |
49 |
|
[PGV]B:5138 |
6 |
1 |
318 |
◊ |
[PGV]B:5137 |
x,y,z |
1_555 |
6 |
1 |
322 |
41.6 |
0.7 |
0.156 |
0 |
0 |
0 |
0.000 |
50 |
|
[LDA]B:3847 |
3 |
1 |
353 |
◊ |
[LDA]B:3844 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
463 |
39.9 |
-0.7 |
0.082 |
0 |
0 |
0 |
0.000 |
51 |
|
[PO4]B:5156 |
4 |
1 |
186 |
f |
[LDA]B:3847 |
x,y,z |
1_555 |
2 |
1 |
353 |
33.6 |
-2.3 |
0.380 |
0 |
0 |
0 |
0.022 |
52 |
|
[LDA]B:3848 |
4 |
1 |
436 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
9604 |
31.3 |
-0.2 |
0.162 |
0 |
0 |
0 |
0.002 |
53 |
|
A |
3 |
1 |
9423 |
f |
[LDA]B:3838 |
x,y,z-1 |
1_554 |
1 |
1 |
409 |
27.8 |
-0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
2 |
2 |
9423 |
f |
[LDA]B:3846 |
x-1,y,z-1 |
1_454 |
4 |
1 |
382 |
27.3 |
0.5 |
0.223 |
0 |
0 |
0 |
0.000 |
55 |
|
[PO4]B:5156 |
4 |
1 |
186 |
◊ |
[LDA]B:3844 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
463 |
27.0 |
-1.6 |
0.387 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
4 |
2 |
9423 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
9423 |
26.8 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]B:3835 |
2 |
1 |
516 |
f |
[LDA]B:3834 |
x,y,z |
1_555 |
1 |
1 |
515 |
25.5 |
-0.8 |
0.189 |
0 |
0 |
0 |
0.000 |
58 |
|
[PGV]B:5139 |
2 |
1 |
292 |
◊ |
[LDA]B:3844 |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
463 |
24.6 |
1.5 |
0.417 |
0 |
0 |
0 |
0.000 |
59 |
|
[PGV]B:5137 |
1 |
1 |
322 |
f |
[PGV]B:5136 |
x,y,z |
1_555 |
2 |
1 |
645 |
24.2 |
0.9 |
0.609 |
0 |
0 |
0 |
0.000 |
60 |
|
[PGV]B:5139 |
2 |
1 |
292 |
f |
[PGV]B:5136 |
x,y,z |
1_555 |
4 |
1 |
645 |
23.8 |
-0.2 |
0.423 |
0 |
0 |
0 |
0.002 |
61 |
|
[PGV]B:5137 |
4 |
1 |
322 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
9604 |
22.4 |
0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
62 |
|
[LDA]B:3841 |
4 |
1 |
381 |
◊ |
[LDA]B:3839 |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
328 |
20.0 |
0.1 |
0.162 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
1 |
1 |
9423 |
◊ |
[LMT]B:3888 |
x-1,y,z-1 |
1_454 |
5 |
1 |
796 |
17.1 |
1.1 |
0.700 |
0 |
0 |
0 |
0.000 |
64 |
|
[LDA]A:3845 |
2 |
1 |
438 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
9423 |
12.1 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
65 |
|
[PGV]B:5139 |
1 |
1 |
292 |
◊ |
[LDA]B:3838 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
409 |
9.0 |
0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
66 |
|
[PO4]B:5156 |
1 |
1 |
186 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
2 |
9604 |
6.0 |
-0.3 |
0.784 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
1 |
1 |
9423 |
f |
[LDA]B:3843 |
x-1,y,z |
1_455 |
1 |
1 |
437 |
3.8 |
0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
68 |
|
[LDA]B:3841 |
2 |
1 |
381 |
f |
[LDA]B:3838 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
409 |
2.7 |
0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
69 |
|
[LDA]B:3848 |
1 |
1 |
436 |
f |
[LDA]B:3840 |
x,y,z |
1_555 |
1 |
1 |
354 |
2.0 |
0.0 |
0.192 |
0 |
0 |
0 |
0.000 |
70 |
|
[LDA]B:3835 |
1 |
1 |
516 |
f |
[LDA]A:3845 |
x,y,z |
1_555 |
1 |
1 |
438 |
1.7 |
-0.1 |
0.211 |
0 |
0 |
0 |
0.000 |
71 |
|
[LDA]B:3847 |
1 |
1 |
353 |
◊ |
[LDA]B:3843 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
437 |
0.7 |
-0.0 |
0.192 |
0 |
0 |
0 |
0.000 |
72 |
|
[LDA]B:3844 |
1 |
1 |
463 |
f |
[LDA]B:3838 |
x,y,z |
1_555 |
1 |
1 |
409 |
0.6 |
0.0 |
0.167 |
0 |
0 |
0 |
0.000 |
|