| ## |
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 |
|
D |
469 |
119 |
23907 |
◊ |
C |
x,y,z |
1_555 |
466 |
127 |
19431 |
4367.5 |
-54.3 |
0.011 |
56 |
18 |
0 |
0.548 |
2 |
|
B |
474 |
120 |
23880 |
◊ |
A |
x,y,z |
1_555 |
461 |
126 |
19466 |
4360.0 |
-54.4 |
0.011 |
55 |
17 |
0 |
0.548 |
| Average: |
4363.7 |
-54.3 |
0.011 |
56 |
18 |
0 |
0.548 |
| 2 |
3 |
|
D |
322 |
77 |
23907 |
◊ |
B |
x,y,z |
1_555 |
315 |
78 |
23880 |
2872.1 |
-21.6 |
0.430 |
46 |
24 |
0 |
0.719 |
| 3 |
4 |
|
H |
251 |
66 |
11715 |
◊ |
G |
x,y,z |
1_555 |
250 |
66 |
11722 |
2335.1 |
-12.4 |
0.408 |
31 |
15 |
0 |
0.305 |
5 |
|
F |
248 |
66 |
11702 |
◊ |
E |
x,y,z |
1_555 |
251 |
66 |
11703 |
2321.0 |
-12.4 |
0.407 |
31 |
14 |
0 |
0.305 |
| Average: |
2328.0 |
-12.4 |
0.408 |
31 |
15 |
0 |
0.305 |
| 4 |
6 |
|
B |
140 |
37 |
23880 |
◊ |
C |
x,y,z |
1_555 |
146 |
38 |
19431 |
1288.3 |
-15.5 |
0.179 |
17 |
6 |
0 |
0.304 |
7 |
|
D |
137 |
36 |
23907 |
◊ |
A |
x,y,z |
1_555 |
148 |
38 |
19466 |
1283.3 |
-15.3 |
0.184 |
16 |
7 |
0 |
0.304 |
| Average: |
1285.8 |
-15.4 |
0.181 |
17 |
7 |
0 |
0.304 |
| 5 |
8 |
|
G |
69 |
19 |
11722 |
◊ |
D |
x,y,z |
1_555 |
57 |
22 |
23907 |
554.0 |
1.5 |
0.727 |
5 |
3 |
0 |
0.004 |
9 |
|
E |
71 |
19 |
11703 |
◊ |
B |
x,y,z |
1_555 |
59 |
22 |
23880 |
549.2 |
1.4 |
0.706 |
5 |
4 |
0 |
0.004 |
| Average: |
551.6 |
1.4 |
0.717 |
5 |
4 |
0 |
0.004 |
| 6 |
10 |
|
F |
61 |
19 |
11702 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
19466 |
514.0 |
-1.5 |
0.604 |
4 |
3 |
0 |
0.028 |
11 |
|
H |
60 |
19 |
11715 |
◊ |
C |
x,y,z |
1_555 |
61 |
21 |
19431 |
506.8 |
-1.8 |
0.580 |
4 |
5 |
0 |
0.028 |
| Average: |
510.4 |
-1.7 |
0.592 |
4 |
4 |
0 |
0.028 |
| 7 |
12 |
|
F |
52 |
16 |
11702 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
23880 |
417.6 |
-7.8 |
0.089 |
4 |
2 |
0 |
0.030 |
13 |
|
H |
51 |
17 |
11715 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
23907 |
405.0 |
-7.5 |
0.096 |
5 |
1 |
0 |
0.030 |
| Average: |
411.3 |
-7.6 |
0.092 |
5 |
2 |
0 |
0.030 |
| 8 |
14 |
|
G |
49 |
15 |
11722 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
19431 |
392.9 |
-6.7 |
0.114 |
4 |
2 |
0 |
0.057 |
15 |
|
E |
48 |
15 |
11703 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
19466 |
390.0 |
-6.7 |
0.112 |
4 |
2 |
0 |
0.057 |
| Average: |
391.5 |
-6.7 |
0.113 |
4 |
2 |
0 |
0.057 |
| 9 |
16 |
|
E |
34 |
10 |
11703 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
38 |
14 |
11715 |
327.7 |
-1.0 |
0.585 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[CFM]A:496 |
17 |
1 |
491 |
f |
A |
x,y,z |
1_555 |
46 |
17 |
19466 |
305.4 |
-18.9 |
0.728 |
5 |
0 |
0 |
0.274 |
18 |
|
[CFM]C:496 |
17 |
1 |
490 |
f |
C |
x,y,z |
1_555 |
46 |
17 |
19431 |
303.6 |
-18.9 |
0.728 |
6 |
0 |
0 |
0.274 |
| Average: |
304.5 |
-18.9 |
0.728 |
6 |
0 |
0 |
0.274 |
| 11 |
19 |
|
[ADP]E:291 |
26 |
1 |
551 |
f |
E |
x,y,z |
1_555 |
47 |
21 |
11703 |
289.1 |
-3.4 |
0.636 |
11 |
0 |
0 |
0.179 |
20 |
|
[ADP]G:291 |
27 |
1 |
556 |
f |
G |
x,y,z |
1_555 |
47 |
21 |
11722 |
288.1 |
-3.5 |
0.643 |
11 |
0 |
0 |
0.179 |
21 |
|
[ADP]F:291 |
27 |
1 |
554 |
f |
F |
x,y,z |
1_555 |
45 |
21 |
11702 |
288.0 |
-3.4 |
0.636 |
11 |
0 |
0 |
0.179 |
22 |
|
[ADP]H:291 |
27 |
1 |
552 |
f |
H |
x,y,z |
1_555 |
46 |
21 |
11715 |
287.5 |
-3.4 |
0.640 |
11 |
0 |
0 |
0.179 |
| Average: |
288.2 |
-3.4 |
0.639 |
11 |
0 |
0 |
0.179 |
| 12 |
23 |
|
B |
25 |
10 |
23880 |
◊ |
G |
x-1/2,-y+1/2,-z |
8_455 |
28 |
11 |
11722 |
214.0 |
-1.1 |
0.557 |
1 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[HCA]A:494 |
13 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19466 |
205.2 |
-0.5 |
0.407 |
5 |
0 |
0 |
0.034 |
25 |
|
[HCA]C:494 |
13 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
38 |
18 |
19431 |
204.2 |
-0.4 |
0.410 |
5 |
0 |
0 |
0.034 |
| Average: |
204.7 |
-0.4 |
0.409 |
5 |
0 |
0 |
0.034 |
| 14 |
26 |
|
[CLF]B:525 |
12 |
1 |
454 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
19466 |
183.3 |
-18.5 |
0.085 |
0 |
0 |
0 |
0.238 |
27 |
|
[CLF]D:525 |
12 |
1 |
455 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
19431 |
183.0 |
-18.6 |
0.086 |
0 |
0 |
0 |
0.238 |
| Average: |
183.1 |
-18.6 |
0.086 |
0 |
0 |
0 |
0.238 |
| 15 |
28 |
|
[CLF]B:525 |
12 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
23880 |
172.2 |
-16.8 |
0.092 |
0 |
0 |
0 |
0.113 |
29 |
|
[CLF]D:525 |
12 |
1 |
455 |
◊ |
D |
x,y,z |
1_555 |
22 |
11 |
23907 |
171.1 |
-16.7 |
0.104 |
0 |
0 |
0 |
0.113 |
| Average: |
171.6 |
-16.7 |
0.098 |
0 |
0 |
0 |
0.113 |
| 16 |
30 |
|
A |
15 |
7 |
19466 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
16 |
7 |
19466 |
159.3 |
-2.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 17 |
31 |
|
[ADP]G:291 |
16 |
1 |
556 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
11715 |
108.6 |
-0.7 |
0.703 |
2 |
0 |
0 |
0.035 |
32 |
|
[ADP]F:291 |
17 |
1 |
554 |
◊ |
E |
x,y,z |
1_555 |
20 |
6 |
11703 |
107.2 |
-0.7 |
0.698 |
2 |
0 |
0 |
0.035 |
33 |
|
[ADP]H:291 |
16 |
1 |
552 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
11722 |
107.2 |
-0.8 |
0.697 |
2 |
0 |
0 |
0.035 |
34 |
|
[ADP]E:291 |
16 |
1 |
551 |
◊ |
F |
x,y,z |
1_555 |
20 |
6 |
11702 |
106.8 |
-0.7 |
0.697 |
2 |
0 |
0 |
0.035 |
| Average: |
107.4 |
-0.7 |
0.699 |
2 |
0 |
0 |
0.035 |
| 18 |
35 |
|
[SF4]G:290 |
8 |
1 |
304 |
f |
G |
x,y,z |
1_555 |
18 |
9 |
11722 |
95.8 |
-8.2 |
0.000 |
2 |
0 |
0 |
0.098 |
36 |
|
[SF4]F:290 |
8 |
1 |
304 |
f |
E |
x,y,z |
1_555 |
18 |
9 |
11703 |
94.8 |
-8.2 |
0.000 |
2 |
0 |
0 |
0.098 |
| Average: |
95.3 |
-8.2 |
0.000 |
2 |
0 |
0 |
0.098 |
| 19 |
37 |
|
[SF4]F:290 |
8 |
1 |
304 |
◊ |
F |
x,y,z |
1_555 |
18 |
9 |
11702 |
94.1 |
-8.1 |
0.000 |
2 |
0 |
0 |
0.096 |
38 |
|
[SF4]G:290 |
8 |
1 |
304 |
◊ |
H |
x,y,z |
1_555 |
19 |
9 |
11715 |
93.6 |
-8.0 |
0.000 |
2 |
0 |
0 |
0.096 |
| Average: |
93.8 |
-8.1 |
0.000 |
2 |
0 |
0 |
0.096 |
| 20 |
39 |
|
F |
11 |
5 |
11702 |
◊ |
F |
-x,y,-z+1/2 |
3_555 |
11 |
5 |
11702 |
89.3 |
-2.1 |
0.213 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
[ALF]F:293 |
5 |
1 |
211 |
f |
F |
x,y,z |
1_555 |
20 |
12 |
11702 |
84.7 |
1.6 |
0.418 |
7 |
0 |
0 |
0.031 |
41 |
|
[ALF]E:293 |
5 |
1 |
210 |
f |
E |
x,y,z |
1_555 |
20 |
11 |
11703 |
84.4 |
1.8 |
0.433 |
7 |
0 |
0 |
0.031 |
42 |
|
[ALF]H:293 |
5 |
1 |
210 |
f |
H |
x,y,z |
1_555 |
21 |
12 |
11715 |
84.1 |
1.8 |
0.434 |
7 |
0 |
0 |
0.031 |
43 |
|
[ALF]G:293 |
5 |
1 |
210 |
f |
G |
x,y,z |
1_555 |
21 |
12 |
11722 |
84.1 |
1.6 |
0.421 |
7 |
0 |
0 |
0.031 |
| Average: |
84.3 |
1.7 |
0.426 |
7 |
0 |
0 |
0.031 |
| 22 |
44 |
|
[CFM]A:496 |
7 |
1 |
491 |
f |
[HCA]A:494 |
x,y,z |
1_555 |
7 |
1 |
351 |
70.4 |
-4.0 |
0.433 |
0 |
0 |
0 |
0.052 |
45 |
|
[CFM]C:496 |
7 |
1 |
490 |
f |
[HCA]C:494 |
x,y,z |
1_555 |
7 |
1 |
352 |
70.4 |
-4.0 |
0.433 |
0 |
0 |
0 |
0.052 |
| Average: |
70.4 |
-4.0 |
0.433 |
0 |
0 |
0 |
0.052 |
| 23 |
46 |
|
[ALF]G:293 |
4 |
1 |
210 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
11715 |
48.9 |
1.3 |
0.407 |
1 |
0 |
0 |
0.000 |
47 |
|
[ALF]E:293 |
4 |
1 |
210 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
11702 |
48.4 |
1.3 |
0.408 |
1 |
0 |
0 |
0.000 |
48 |
|
[ALF]H:293 |
4 |
1 |
210 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
11722 |
48.1 |
1.3 |
0.405 |
1 |
0 |
0 |
0.000 |
49 |
|
[ALF]F:293 |
4 |
1 |
211 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
11703 |
47.8 |
1.3 |
0.406 |
1 |
0 |
0 |
0.000 |
| Average: |
48.3 |
1.3 |
0.407 |
1 |
0 |
0 |
0.000 |
| 24 |
50 |
|
[ADP]F:291 |
5 |
1 |
554 |
cf |
[ALF]F:293 |
x,y,z |
1_555 |
5 |
1 |
211 |
42.9 |
-2.3 |
0.099 |
1 |
0 |
0 |
0.058 |
51 |
|
[ADP]E:291 |
5 |
1 |
551 |
cf |
[ALF]E:293 |
x,y,z |
1_555 |
5 |
1 |
210 |
42.7 |
-2.2 |
0.100 |
1 |
0 |
0 |
0.058 |
52 |
|
[ADP]G:291 |
5 |
1 |
556 |
cf |
[ALF]G:293 |
x,y,z |
1_555 |
5 |
1 |
210 |
42.7 |
-2.3 |
0.098 |
1 |
0 |
0 |
0.058 |
53 |
|
[ADP]H:291 |
5 |
1 |
552 |
cf |
[ALF]H:293 |
x,y,z |
1_555 |
5 |
1 |
210 |
42.2 |
-2.2 |
0.100 |
1 |
0 |
0 |
0.058 |
| Average: |
42.6 |
-2.3 |
0.099 |
1 |
0 |
0 |
0.058 |
| 25 |
54 |
|
C |
5 |
2 |
19431 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
19466 |
40.5 |
-0.9 |
0.351 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
[SF4]F:290 |
4 |
1 |
304 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23880 |
39.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
|
[SF4]G:290 |
4 |
1 |
304 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
23907 |
37.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
38.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 27 |
57 |
|
[HCA]C:494 |
6 |
1 |
352 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
23907 |
38.8 |
0.8 |
0.578 |
0 |
0 |
0 |
0.000 |
58 |
|
[HCA]A:494 |
6 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
23880 |
37.6 |
0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
| Average: |
38.2 |
0.8 |
0.575 |
0 |
0 |
0 |
0.000 |
| 28 |
59 |
|
[SF4]G:290 |
4 |
1 |
304 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
19431 |
37.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
60 |
|
[SF4]F:290 |
4 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
19466 |
36.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
36.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 29 |
61 |
|
[MG]G:292 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
14 |
10 |
11722 |
33.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.123 |
62 |
|
[MG]E:292 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
9 |
11703 |
33.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.123 |
63 |
|
[MG]F:292 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
10 |
11702 |
33.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.123 |
64 |
|
[MG]H:292 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
13 |
10 |
11715 |
33.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.123 |
| Average: |
33.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.123 |
| 30 |
65 |
|
C |
7 |
3 |
19431 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
23907 |
33.5 |
-0.4 |
0.538 |
0 |
0 |
0 |
0.000 |
| 31 |
66 |
|
[CA]D:524 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
23907 |
25.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.154 |
67 |
|
[CA]B:524 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
23880 |
24.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
25.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.154 |
| 32 |
68 |
|
[CA]B:524 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19431 |
23.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.040 |
69 |
|
[CA]D:524 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19466 |
23.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
23.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 33 |
70 |
|
[CA]D:524 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23880 |
23.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.127 |
71 |
|
[CA]B:524 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
23907 |
22.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
23.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.127 |
| 34 |
72 |
|
[ALF]F:293 |
3 |
1 |
211 |
f |
[MG]F:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.049 |
73 |
|
[ALF]H:293 |
3 |
1 |
210 |
f |
[MG]H:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.049 |
74 |
|
[ALF]G:293 |
3 |
1 |
210 |
f |
[MG]G:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.049 |
75 |
|
[ALF]E:293 |
3 |
1 |
210 |
f |
[MG]E:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
22.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.049 |
| 35 |
76 |
|
H |
5 |
2 |
11715 |
◊ |
E |
x-1/2,y-1/2,z |
5_445 |
4 |
2 |
11703 |
22.2 |
0.5 |
0.761 |
0 |
0 |
0 |
0.000 |
| 36 |
77 |
|
[ADP]G:291 |
3 |
1 |
556 |
f |
[MG]G:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
78 |
|
[ADP]F:291 |
3 |
1 |
554 |
f |
[MG]F:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
79 |
|
[ADP]H:291 |
3 |
1 |
552 |
f |
[MG]H:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
80 |
|
[ADP]E:291 |
3 |
1 |
551 |
f |
[MG]E:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
14.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
| 37 |
81 |
|
B |
3 |
1 |
23880 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
19466 |
7.6 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
| 38 |
82 |
|
C |
1 |
1 |
19431 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
23907 |
3.4 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
| 39 |
83 |
|
[MG]H:292 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11722 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
84 |
|
[MG]F:292 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11703 |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
85 |
|
[MG]E:292 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11702 |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
86 |
|
[MG]G:292 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11715 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
|