## |
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 |
53 |
14 |
20212 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
53 |
14 |
20212 |
476.0 |
-4.2 |
0.432 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
47 |
15 |
20212 |
◊ |
A |
-x+1,y,-z |
2_655 |
46 |
15 |
20212 |
416.3 |
1.6 |
0.882 |
8 |
0 |
0 |
0.000 |
3 |
|
A |
49 |
15 |
20212 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
44 |
14 |
20212 |
378.6 |
-9.1 |
0.016 |
1 |
0 |
0 |
0.000 |
4 |
|
[78M]A:1515 |
22 |
1 |
619 |
f |
A |
x,y,z |
1_555 |
48 |
15 |
20212 |
272.5 |
-0.4 |
0.448 |
6 |
0 |
0 |
0.014 |
5 |
|
[PE5]A:1516 |
14 |
1 |
473 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
20212 |
270.9 |
9.1 |
0.326 |
3 |
0 |
0 |
0.000 |
6 |
|
[78M]A:1510 |
20 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
44 |
14 |
20212 |
242.4 |
-1.3 |
0.327 |
1 |
0 |
0 |
0.008 |
7 |
|
[78N]A:1514 |
21 |
1 |
624 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
20212 |
239.0 |
0.3 |
0.196 |
0 |
0 |
0 |
0.000 |
8 |
|
[78N]A:1511 |
20 |
1 |
629 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
37 |
11 |
20212 |
224.0 |
0.5 |
0.314 |
0 |
0 |
0 |
0.000 |
9 |
|
[LDA]A:1493 |
15 |
1 |
495 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
20212 |
222.1 |
3.6 |
0.459 |
0 |
0 |
0 |
0.000 |
10 |
|
[LDA]A:1506 |
11 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
20212 |
219.0 |
4.5 |
0.176 |
0 |
0 |
0 |
0.000 |
11 |
|
[LDA]A:1496 |
15 |
1 |
514 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
20212 |
209.0 |
0.9 |
0.276 |
0 |
0 |
0 |
0.000 |
12 |
|
[78M]A:1512 |
20 |
1 |
628 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
20212 |
208.1 |
-0.6 |
0.274 |
0 |
0 |
0 |
0.000 |
13 |
|
[78N]A:1514 |
21 |
1 |
624 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
25 |
8 |
20212 |
200.1 |
-2.7 |
0.083 |
1 |
0 |
0 |
0.014 |
14 |
|
[PE5]A:1517 |
8 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
20212 |
189.5 |
7.9 |
0.596 |
3 |
0 |
0 |
0.000 |
15 |
|
[LDA]A:1494 |
14 |
1 |
515 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
29 |
12 |
20212 |
188.9 |
-0.6 |
0.152 |
0 |
0 |
0 |
0.000 |
16 |
|
[FLC]A:1491 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
20212 |
176.1 |
2.9 |
0.558 |
9 |
0 |
0 |
0.005 |
17 |
|
[LDA]A:1492 |
12 |
1 |
508 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
20212 |
174.6 |
1.0 |
0.254 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
17 |
4 |
20212 |
◊ |
[78N]A:1513 |
x-1/2,y-1/2,z |
3_445 |
20 |
1 |
628 |
172.9 |
-0.2 |
0.110 |
0 |
0 |
0 |
0.000 |
19 |
|
[LDA]A:1498 |
9 |
1 |
348 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
20212 |
172.6 |
5.4 |
0.033 |
0 |
0 |
0 |
0.000 |
20 |
|
[LDA]A:1496 |
14 |
1 |
514 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
27 |
9 |
20212 |
169.7 |
1.6 |
0.286 |
0 |
0 |
0 |
0.000 |
21 |
|
[LDA]A:1495 |
10 |
1 |
380 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20212 |
167.0 |
3.5 |
0.334 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
21 |
8 |
20212 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
23 |
12 |
20212 |
165.5 |
-0.8 |
0.604 |
4 |
0 |
0 |
0.000 |
23 |
|
[LDA]A:1500 |
12 |
1 |
430 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
20212 |
162.7 |
0.6 |
0.056 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
21 |
7 |
20212 |
◊ |
[LDA]A:1492 |
x-1/2,y-1/2,z |
3_445 |
14 |
1 |
508 |
159.4 |
2.3 |
0.223 |
0 |
0 |
0 |
0.000 |
25 |
|
[LDA]A:1504 |
9 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
20212 |
156.1 |
4.4 |
0.520 |
0 |
0 |
0 |
0.000 |
26 |
|
[78N]A:1511 |
15 |
1 |
629 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
20212 |
155.9 |
0.2 |
0.346 |
0 |
0 |
0 |
0.000 |
27 |
|
[78M]A:1510 |
12 |
1 |
623 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
19 |
6 |
20212 |
152.5 |
0.7 |
0.220 |
2 |
0 |
0 |
0.000 |
28 |
|
A |
19 |
6 |
20212 |
◊ |
[78M]A:1512 |
x-1/2,y+1/2,z |
3_455 |
16 |
1 |
628 |
142.4 |
-2.4 |
0.152 |
1 |
0 |
0 |
0.000 |
29 |
|
[LDA]A:1501 |
8 |
1 |
312 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
20212 |
141.8 |
4.1 |
0.455 |
0 |
0 |
0 |
0.000 |
30 |
|
[LDA]A:1499 |
10 |
1 |
375 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20212 |
141.0 |
3.9 |
0.407 |
0 |
0 |
0 |
0.000 |
31 |
|
[LDA]A:1503 |
9 |
1 |
351 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
20212 |
129.3 |
3.1 |
0.450 |
0 |
0 |
0 |
0.000 |
32 |
|
[LDA]A:1502 |
7 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
20212 |
127.8 |
3.4 |
0.445 |
0 |
0 |
0 |
0.000 |
33 |
|
[LDA]A:1497 |
11 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20212 |
115.7 |
1.6 |
0.104 |
1 |
0 |
0 |
0.000 |
34 |
|
[LDA]A:1505 |
7 |
1 |
321 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
17 |
5 |
20212 |
113.1 |
3.1 |
0.554 |
0 |
0 |
0 |
0.000 |
35 |
|
[LDA]A:1494 |
12 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
20212 |
112.7 |
1.7 |
0.334 |
1 |
0 |
0 |
0.000 |
36 |
|
[78N]A:1513 |
12 |
1 |
628 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
20212 |
111.5 |
0.8 |
0.396 |
0 |
0 |
0 |
0.000 |
37 |
|
[78M]A:1510 |
14 |
1 |
623 |
◊ |
[78N]A:1513 |
x-1/2,y-1/2,z |
3_445 |
13 |
1 |
628 |
105.3 |
2.6 |
0.402 |
0 |
0 |
0 |
0.000 |
38 |
|
[78N]A:1511 |
11 |
1 |
629 |
f |
[LDA]A:1496 |
x,y,z |
1_555 |
10 |
1 |
514 |
92.3 |
3.9 |
0.359 |
0 |
0 |
0 |
0.000 |
39 |
|
[LDA]A:1500 |
11 |
1 |
430 |
f |
[LDA]A:1497 |
x,y,z |
1_555 |
10 |
1 |
435 |
90.9 |
5.1 |
0.045 |
0 |
0 |
0 |
0.000 |
40 |
|
[78M]A:1515 |
14 |
1 |
619 |
◊ |
[78M]A:1512 |
x-1/2,y+1/2,z |
3_455 |
11 |
1 |
628 |
88.4 |
2.8 |
0.536 |
1 |
0 |
0 |
0.000 |
41 |
|
[78M]A:1515 |
8 |
1 |
619 |
◊ |
[LDA]A:1494 |
x,y,z |
1_555 |
7 |
1 |
515 |
83.4 |
2.6 |
0.399 |
0 |
0 |
0 |
0.000 |
42 |
|
[78M]A:1515 |
10 |
1 |
619 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
11 |
3 |
20212 |
82.1 |
-0.1 |
0.273 |
0 |
0 |
0 |
0.000 |
43 |
|
[LDA]A:1505 |
5 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
20212 |
82.0 |
2.5 |
0.574 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
9 |
5 |
20212 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
20212 |
65.5 |
-1.1 |
0.219 |
0 |
0 |
0 |
0.000 |
45 |
|
[NA]A:1507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
20212 |
64.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.054 |
46 |
|
[NA]A:1508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
20212 |
63.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.051 |
47 |
|
[78N]A:1514 |
7 |
1 |
624 |
◊ |
[LDA]A:1499 |
x,y,z |
1_555 |
5 |
1 |
375 |
57.3 |
3.3 |
0.709 |
0 |
0 |
0 |
0.000 |
48 |
|
[78N]A:1514 |
9 |
1 |
624 |
◊ |
[78M]A:1512 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
628 |
55.4 |
-0.8 |
0.222 |
0 |
0 |
0 |
0.000 |
49 |
|
[78N]A:1513 |
9 |
1 |
628 |
f |
[LDA]A:1503 |
x,y,z |
1_555 |
4 |
1 |
351 |
49.0 |
3.0 |
0.656 |
0 |
0 |
0 |
0.000 |
50 |
|
[78N]A:1511 |
4 |
1 |
629 |
◊ |
[78M]A:1510 |
x,y,z |
1_555 |
8 |
1 |
623 |
47.5 |
0.4 |
0.327 |
0 |
0 |
0 |
0.000 |
51 |
|
[LDA]A:1494 |
6 |
1 |
515 |
f |
[78M]A:1512 |
x-1/2,y+1/2,z |
3_455 |
11 |
1 |
628 |
46.7 |
1.0 |
0.283 |
0 |
0 |
0 |
0.000 |
52 |
|
[LDA]A:1505 |
6 |
1 |
321 |
◊ |
[LDA]A:1502 |
x,y,z |
1_555 |
2 |
1 |
292 |
45.1 |
3.0 |
0.378 |
0 |
0 |
0 |
0.000 |
53 |
|
[LDA]A:1499 |
6 |
1 |
375 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
7 |
5 |
20212 |
43.3 |
0.9 |
0.485 |
0 |
0 |
0 |
0.000 |
54 |
|
[CA]A:1509 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
20212 |
42.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.056 |
55 |
|
[78M]A:1512 |
8 |
1 |
628 |
f |
[LDA]A:1498 |
x,y,z |
1_555 |
7 |
1 |
348 |
42.5 |
2.5 |
0.734 |
0 |
0 |
0 |
0.000 |
56 |
|
[LDA]A:1494 |
6 |
1 |
515 |
f |
[LDA]A:1493 |
x,y,z |
1_555 |
3 |
1 |
495 |
38.5 |
0.5 |
0.216 |
0 |
0 |
0 |
0.000 |
57 |
|
[78N]A:1513 |
3 |
1 |
628 |
f |
[LDA]A:1497 |
x,y,z |
1_555 |
2 |
1 |
435 |
35.9 |
0.8 |
0.348 |
0 |
0 |
0 |
0.000 |
58 |
|
[78M]A:1515 |
2 |
1 |
619 |
◊ |
[LDA]A:1498 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
348 |
34.0 |
0.6 |
0.485 |
0 |
0 |
0 |
0.000 |
59 |
|
[78N]A:1511 |
1 |
1 |
629 |
f |
[78N]A:1513 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
628 |
29.9 |
0.4 |
0.328 |
0 |
0 |
0 |
0.000 |
60 |
|
[LDA]A:1499 |
2 |
1 |
375 |
f |
[LDA]A:1498 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
348 |
27.9 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
|
[LDA]A:1499 |
2 |
1 |
375 |
f |
[78M]A:1512 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
628 |
25.4 |
0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
62 |
|
[78M]A:1510 |
2 |
1 |
623 |
f |
[LDA]A:1506 |
x,y,z |
1_555 |
4 |
1 |
398 |
24.5 |
0.5 |
0.096 |
0 |
0 |
0 |
0.000 |
63 |
|
[78N]A:1514 |
1 |
1 |
624 |
◊ |
[LDA]A:1494 |
x,y,z |
1_555 |
2 |
1 |
515 |
23.6 |
-0.8 |
0.171 |
0 |
0 |
0 |
0.000 |
64 |
|
[LDA]A:1506 |
1 |
1 |
398 |
◊ |
[LDA]A:1500 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
430 |
20.1 |
1.3 |
0.095 |
0 |
0 |
0 |
0.000 |
65 |
|
[LDA]A:1501 |
1 |
1 |
312 |
◊ |
[LDA]A:1493 |
x,y,z |
1_555 |
3 |
1 |
495 |
17.1 |
1.1 |
0.591 |
0 |
0 |
0 |
0.000 |
66 |
|
[LDA]A:1503 |
2 |
1 |
351 |
f |
[LDA]A:1500 |
x,y,z |
1_555 |
2 |
1 |
430 |
15.3 |
0.3 |
0.391 |
0 |
0 |
0 |
0.000 |
67 |
|
[LDA]A:1493 |
1 |
1 |
495 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
20212 |
14.8 |
-0.5 |
0.264 |
0 |
0 |
0 |
0.000 |
68 |
|
[LDA]A:1493 |
1 |
1 |
495 |
f |
[LDA]A:1497 |
x-1,y,z |
1_455 |
3 |
1 |
435 |
13.6 |
-0.2 |
0.147 |
0 |
0 |
0 |
0.000 |
69 |
|
[LDA]A:1496 |
1 |
1 |
514 |
f |
[LDA]A:1492 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
508 |
12.0 |
-0.1 |
0.312 |
0 |
0 |
0 |
0.000 |
70 |
|
[PE5]A:1516 |
3 |
1 |
473 |
f |
A |
-x+1,y,-z |
2_655 |
2 |
2 |
20212 |
10.1 |
0.4 |
0.153 |
0 |
0 |
0 |
0.000 |
71 |
|
[LDA]A:1501 |
1 |
1 |
312 |
f |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
20212 |
9.3 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
72 |
|
A |
1 |
1 |
20212 |
◊ |
[LDA]A:1498 |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
348 |
8.4 |
0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
73 |
|
[78N]A:1511 |
1 |
1 |
629 |
f |
[LDA]A:1503 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
351 |
8.4 |
0.2 |
0.640 |
0 |
0 |
0 |
0.000 |
74 |
|
[LDA]A:1502 |
2 |
1 |
292 |
f |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
20212 |
8.3 |
0.2 |
0.466 |
0 |
0 |
0 |
0.000 |
75 |
|
[LDA]A:1493 |
1 |
1 |
495 |
f |
[LDA]A:1500 |
x-1,y,z |
1_455 |
1 |
1 |
430 |
4.4 |
0.1 |
0.211 |
0 |
0 |
0 |
0.000 |
76 |
|
[78N]A:1514 |
2 |
1 |
624 |
◊ |
[LDA]A:1493 |
x,y,z |
1_555 |
1 |
1 |
495 |
2.9 |
-0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
|