| ## |
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 |
507 |
128 |
27146 |
◊ |
B |
x,y,z |
1_555 |
515 |
130 |
26983 |
4933.3 |
-64.6 |
0.012 |
58 |
10 |
0 |
0.810 |
2 |
|
G |
505 |
129 |
26467 |
◊ |
E |
x,y,z |
1_555 |
508 |
128 |
27208 |
4875.9 |
-61.7 |
0.019 |
50 |
11 |
0 |
0.810 |
3 |
|
C |
511 |
131 |
26818 |
◊ |
A |
x,y,z |
1_555 |
508 |
129 |
27345 |
4869.7 |
-62.4 |
0.016 |
61 |
10 |
0 |
0.810 |
4 |
|
H |
482 |
122 |
26651 |
◊ |
F |
x,y,z |
1_555 |
499 |
129 |
27169 |
4738.8 |
-64.3 |
0.008 |
52 |
8 |
0 |
0.810 |
| Average: |
4854.4 |
-63.3 |
0.014 |
55 |
10 |
0 |
0.810 |
| 2 |
5 |
|
C |
293 |
73 |
26818 |
◊ |
B |
x,y,z |
1_555 |
286 |
72 |
26983 |
3081.0 |
-39.2 |
0.027 |
29 |
13 |
0 |
0.313 |
6 |
|
D |
293 |
73 |
27146 |
◊ |
A |
x,y,z |
1_555 |
291 |
74 |
27345 |
3075.1 |
-38.2 |
0.033 |
32 |
16 |
0 |
0.313 |
7 |
|
G |
279 |
73 |
26467 |
◊ |
F |
x,y,z |
1_555 |
283 |
70 |
27169 |
2968.2 |
-36.9 |
0.033 |
30 |
19 |
0 |
0.313 |
8 |
|
H |
279 |
72 |
26651 |
◊ |
E |
x,y,z |
1_555 |
275 |
70 |
27208 |
2938.3 |
-38.8 |
0.023 |
31 |
15 |
0 |
0.313 |
| Average: |
3015.7 |
-38.3 |
0.029 |
31 |
16 |
0 |
0.313 |
| 3 |
9 |
|
B |
155 |
56 |
26983 |
◊ |
A |
x,y,z |
1_555 |
154 |
54 |
27345 |
1341.4 |
-3.9 |
0.789 |
13 |
8 |
0 |
0.061 |
10 |
|
F |
143 |
53 |
27169 |
◊ |
E |
x,y,z |
1_555 |
146 |
54 |
27208 |
1308.1 |
-2.9 |
0.794 |
14 |
8 |
0 |
0.061 |
11 |
|
H |
138 |
46 |
26651 |
◊ |
G |
x,y,z |
1_555 |
139 |
49 |
26467 |
1274.6 |
-4.4 |
0.729 |
12 |
6 |
0 |
0.061 |
12 |
|
D |
139 |
48 |
27146 |
◊ |
C |
x,y,z |
1_555 |
141 |
50 |
26818 |
1272.7 |
-3.6 |
0.750 |
9 |
6 |
0 |
0.061 |
| Average: |
1299.2 |
-3.7 |
0.765 |
12 |
7 |
0 |
0.061 |
| 4 |
13 |
|
F |
62 |
14 |
27169 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
59 |
16 |
26983 |
586.6 |
-4.5 |
0.464 |
3 |
3 |
0 |
0.000 |
| 5 |
14 |
|
G |
57 |
18 |
26467 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
53 |
17 |
26818 |
534.5 |
1.0 |
0.822 |
4 |
3 |
0 |
0.000 |
| 6 |
15 |
|
H |
42 |
10 |
26651 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
42 |
11 |
27146 |
345.8 |
1.1 |
0.819 |
3 |
0 |
0 |
0.000 |
| 7 |
16 |
|
F |
37 |
12 |
27169 |
◊ |
H |
x-1,y,z |
1_455 |
41 |
13 |
26651 |
314.9 |
-3.1 |
0.454 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
39 |
13 |
26983 |
◊ |
D |
x-1,y,z |
1_455 |
42 |
14 |
27146 |
306.1 |
-3.6 |
0.410 |
0 |
1 |
0 |
0.000 |
| Average: |
310.5 |
-3.4 |
0.432 |
0 |
1 |
0 |
0.000 |
| 8 |
18 |
|
G |
34 |
16 |
26467 |
◊ |
B |
x,y,z |
1_555 |
36 |
15 |
26983 |
225.6 |
1.0 |
0.766 |
1 |
0 |
0 |
0.000 |
| 9 |
19 |
|
E |
17 |
5 |
27208 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
26983 |
151.2 |
1.1 |
0.815 |
0 |
0 |
0 |
0.000 |
| 10 |
20 |
|
F |
12 |
5 |
27169 |
◊ |
B |
-x-2,y-1/2,-z+1 |
2_346 |
19 |
8 |
26983 |
148.6 |
0.7 |
0.773 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
F |
16 |
6 |
27169 |
◊ |
E |
-x-2,y-1/2,-z+1 |
2_346 |
16 |
6 |
27208 |
117.5 |
0.8 |
0.713 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
A |
11 |
3 |
27345 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
4 |
27146 |
115.2 |
-0.2 |
0.607 |
1 |
0 |
0 |
0.000 |
23 |
|
E |
12 |
2 |
27208 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
3 |
26651 |
110.3 |
0.8 |
0.721 |
1 |
1 |
0 |
0.000 |
| Average: |
112.8 |
0.3 |
0.664 |
1 |
1 |
0 |
0.000 |
| 13 |
24 |
|
F |
11 |
4 |
27169 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
27345 |
101.6 |
0.6 |
0.745 |
1 |
1 |
0 |
0.000 |
| 14 |
25 |
|
H |
14 |
5 |
26651 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
5 |
27345 |
97.8 |
2.1 |
0.888 |
0 |
1 |
0 |
0.000 |
| 15 |
26 |
|
F |
13 |
4 |
27169 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
4 |
27345 |
96.3 |
0.4 |
0.721 |
1 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[FMT]G:602 |
3 |
1 |
151 |
f |
G |
x,y,z |
1_555 |
22 |
14 |
26467 |
80.7 |
1.1 |
0.491 |
4 |
0 |
0 |
0.006 |
| 17 |
28 |
|
H |
12 |
5 |
26651 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
4 |
26818 |
80.4 |
0.9 |
0.777 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[FMT]B:602 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
17 |
14 |
26983 |
79.4 |
1.4 |
0.498 |
3 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[FMT]A:602 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
19 |
14 |
27345 |
77.8 |
1.4 |
0.810 |
4 |
0 |
0 |
0.003 |
| 20 |
31 |
|
[FMT]H:602 |
3 |
1 |
151 |
f |
H |
x,y,z |
1_555 |
19 |
14 |
26651 |
77.5 |
1.1 |
0.495 |
4 |
0 |
0 |
0.006 |
| 21 |
32 |
|
[FMT]D:602 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
18 |
14 |
27146 |
76.7 |
-0.0 |
0.425 |
2 |
0 |
0 |
0.008 |
| 22 |
33 |
|
[FMT]C:602 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
18 |
14 |
26818 |
75.8 |
-0.1 |
0.676 |
3 |
0 |
0 |
0.012 |
| 23 |
34 |
|
[FMT]D:603 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
27146 |
69.7 |
0.5 |
0.721 |
6 |
0 |
0 |
0.019 |
| 24 |
35 |
|
D |
9 |
4 |
27146 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
4 |
27345 |
68.6 |
0.9 |
0.801 |
2 |
2 |
0 |
0.000 |
| 25 |
36 |
|
[FMT]C:603 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
26818 |
68.2 |
-0.4 |
0.586 |
4 |
0 |
0 |
0.019 |
37 |
|
[FMT]B:603 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
26983 |
67.0 |
0.5 |
0.721 |
2 |
0 |
0 |
0.019 |
| Average: |
67.6 |
0.0 |
0.653 |
3 |
0 |
0 |
0.019 |
| 26 |
38 |
|
[FMT]G:603 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
16 |
11 |
26467 |
67.2 |
0.5 |
0.722 |
4 |
0 |
0 |
0.012 |
| 27 |
39 |
|
[FMT]A:603 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
27345 |
67.0 |
0.5 |
0.440 |
6 |
0 |
0 |
0.019 |
| 28 |
40 |
|
[FMT]H:603 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
16 |
11 |
26651 |
66.0 |
0.5 |
0.720 |
5 |
0 |
0 |
0.016 |
| 29 |
41 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
11 |
27169 |
60.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.152 |
42 |
|
[MG]E:601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
9 |
27208 |
56.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.152 |
43 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
10 |
26818 |
49.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.152 |
44 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
27345 |
49.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.152 |
45 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
27146 |
48.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.152 |
46 |
|
[MG]G:601 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
10 |
26467 |
48.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.152 |
47 |
|
[MG]H:601 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
9 |
26651 |
47.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.152 |
48 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
26983 |
47.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
51.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.152 |
| 30 |
49 |
|
H |
8 |
3 |
26651 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
7 |
3 |
27146 |
55.9 |
-0.8 |
0.451 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
F |
6 |
3 |
27169 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
26467 |
49.3 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
1 |
1 |
26983 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
26818 |
11.5 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
30.4 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
E |
6 |
5 |
27208 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
5 |
4 |
27345 |
32.8 |
1.2 |
0.870 |
1 |
0 |
0 |
0.000 |
| 33 |
53 |
|
G |
4 |
3 |
26467 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
3 |
26818 |
27.2 |
1.2 |
0.886 |
0 |
0 |
0 |
0.000 |
| 34 |
54 |
|
[FMT]C:603 |
2 |
1 |
150 |
f |
[FMT]C:602 |
x,y,z |
1_555 |
3 |
1 |
150 |
25.8 |
-0.5 |
0.380 |
0 |
0 |
0 |
0.004 |
| 35 |
55 |
|
[FMT]A:603 |
3 |
1 |
150 |
f |
[FMT]A:602 |
x,y,z |
1_555 |
3 |
1 |
150 |
25.2 |
-0.4 |
0.259 |
0 |
0 |
0 |
0.003 |
| 36 |
56 |
|
[FMT]H:603 |
2 |
1 |
150 |
f |
[FMT]H:602 |
x,y,z |
1_555 |
3 |
1 |
151 |
24.6 |
-0.4 |
0.380 |
0 |
0 |
0 |
0.004 |
| 37 |
57 |
|
[FMT]G:603 |
3 |
1 |
150 |
f |
[FMT]G:602 |
x,y,z |
1_555 |
2 |
1 |
151 |
24.1 |
-0.5 |
0.380 |
0 |
0 |
0 |
0.005 |
| 38 |
58 |
|
[FMT]D:603 |
3 |
1 |
150 |
f |
[FMT]D:602 |
x,y,z |
1_555 |
2 |
1 |
150 |
23.8 |
-0.2 |
0.380 |
0 |
0 |
0 |
0.002 |
| 39 |
59 |
|
F |
3 |
1 |
27169 |
◊ |
G |
-x-2,y-1/2,-z+1 |
2_346 |
4 |
2 |
26467 |
23.5 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[FMT]B:603 |
2 |
1 |
149 |
f |
[FMT]B:602 |
x,y,z |
1_555 |
2 |
1 |
150 |
22.8 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.003 |
| 41 |
61 |
|
[FMT]H:602 |
3 |
1 |
151 |
f |
[MG]H:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
62 |
|
[FMT]D:602 |
3 |
1 |
150 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
63 |
|
[FMT]B:602 |
3 |
1 |
150 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| 42 |
64 |
|
H |
4 |
2 |
26651 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
27208 |
20.5 |
0.9 |
0.819 |
0 |
0 |
0 |
0.000 |
| 43 |
65 |
|
[FMT]G:602 |
2 |
1 |
151 |
f |
[MG]G:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
66 |
|
[FMT]C:602 |
2 |
1 |
150 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 44 |
67 |
|
[FMT]H:603 |
1 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
27169 |
18.8 |
0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
[FMT]B:603 |
1 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
27146 |
18.5 |
0.4 |
0.507 |
0 |
0 |
0 |
0.000 |
69 |
|
[FMT]C:603 |
1 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
27345 |
17.3 |
0.3 |
0.510 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
| 46 |
70 |
|
[FMT]A:603 |
2 |
1 |
150 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
26818 |
18.5 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
| 47 |
71 |
|
[FMT]A:602 |
2 |
1 |
150 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 48 |
72 |
|
[FMT]G:603 |
2 |
1 |
150 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
27208 |
17.2 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
| 49 |
73 |
|
[FMT]D:603 |
2 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
26983 |
16.7 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.003 |
| 50 |
74 |
|
B |
1 |
1 |
26983 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
26818 |
11.0 |
0.8 |
0.921 |
0 |
0 |
0 |
0.000 |
| 51 |
75 |
|
C |
1 |
1 |
26818 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
27345 |
7.5 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
G |
1 |
1 |
26467 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
27146 |
1.4 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| 53 |
77 |
|
[FMT]A:603 |
1 |
1 |
150 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[FMT]D:603 |
1 |
1 |
150 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|