## |
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 |
|
E |
142 |
33 |
12511 |
◊ |
A |
x,y,z |
1_555 |
181 |
49 |
17548 |
1538.7 |
-19.1 |
0.144 |
18 |
3 |
0 |
0.412 |
2 |
2 |
|
D |
139 |
38 |
17070 |
◊ |
C |
x,y,z |
1_555 |
146 |
36 |
17875 |
1323.0 |
-14.6 |
0.091 |
16 |
8 |
0 |
0.292 |
3 |
|
B |
135 |
32 |
17106 |
◊ |
A |
x,y,z |
1_555 |
139 |
33 |
17548 |
1218.6 |
-14.9 |
0.079 |
7 |
7 |
0 |
0.292 |
Average: |
1270.8 |
-14.8 |
0.085 |
12 |
8 |
0 |
0.292 |
3 |
4 |
|
B |
95 |
23 |
17106 |
◊ |
C |
x,y,z |
1_555 |
104 |
30 |
17875 |
837.1 |
-8.8 |
0.211 |
14 |
1 |
0 |
0.224 |
4 |
5 |
|
E |
71 |
17 |
12511 |
◊ |
C |
x,y,z |
1_555 |
82 |
24 |
17875 |
766.7 |
-8.8 |
0.247 |
7 |
4 |
0 |
0.146 |
5 |
6 |
|
F |
78 |
22 |
16136 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
17548 |
762.1 |
-0.7 |
0.688 |
7 |
5 |
0 |
0.000 |
6 |
7 |
|
F |
84 |
23 |
16136 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
77 |
22 |
17070 |
714.5 |
-1.0 |
0.607 |
8 |
2 |
0 |
0.000 |
7 |
8 |
|
E |
61 |
16 |
12511 |
◊ |
D |
x,y,z |
1_555 |
84 |
22 |
17070 |
697.0 |
-4.1 |
0.494 |
6 |
4 |
0 |
0.032 |
8 |
9 |
|
E |
54 |
14 |
12511 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
17106 |
607.5 |
-1.2 |
0.695 |
6 |
6 |
0 |
0.056 |
9 |
10 |
|
C |
60 |
18 |
17875 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
46 |
12 |
12511 |
495.8 |
-3.9 |
0.466 |
5 |
5 |
0 |
0.030 |
10 |
11 |
|
[GTP]A:501 |
31 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
63 |
28 |
17548 |
426.8 |
-2.9 |
0.550 |
16 |
0 |
0 |
0.174 |
12 |
|
[GTP]C:502 |
31 |
1 |
628 |
f |
C |
x,y,z |
1_555 |
65 |
30 |
17875 |
422.9 |
-3.3 |
0.550 |
19 |
0 |
0 |
0.174 |
Average: |
424.9 |
-3.1 |
0.550 |
18 |
0 |
0 |
0.174 |
11 |
13 |
|
A |
51 |
14 |
17548 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
52 |
13 |
17875 |
424.6 |
0.2 |
0.735 |
4 |
3 |
0 |
0.000 |
12 |
14 |
|
[84F]D:505 |
27 |
1 |
603 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
17070 |
408.6 |
-9.7 |
0.268 |
2 |
0 |
0 |
0.134 |
15 |
|
[84F]B:508 |
27 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
61 |
23 |
17106 |
403.1 |
-8.4 |
0.321 |
0 |
0 |
0 |
0.134 |
Average: |
405.9 |
-9.0 |
0.294 |
1 |
0 |
0 |
0.134 |
13 |
16 |
|
[GDP]D:501 |
28 |
1 |
561 |
f |
D |
x,y,z |
1_555 |
66 |
29 |
17070 |
407.3 |
-6.1 |
0.568 |
14 |
0 |
0 |
0.161 |
17 |
|
[GDP]B:501 |
27 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
62 |
28 |
17106 |
400.7 |
-6.1 |
0.592 |
11 |
0 |
0 |
0.161 |
Average: |
404.0 |
-6.1 |
0.580 |
13 |
0 |
0 |
0.161 |
14 |
18 |
|
[ACP]F:402 |
28 |
1 |
642 |
f |
F |
x,y,z |
1_555 |
50 |
21 |
16136 |
378.0 |
-2.7 |
0.527 |
6 |
0 |
0 |
0.039 |
15 |
19 |
|
F |
42 |
12 |
16136 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
17106 |
301.9 |
0.1 |
0.684 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
A |
31 |
10 |
17548 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
33 |
12 |
17875 |
301.1 |
-0.5 |
0.584 |
4 |
0 |
0 |
0.000 |
17 |
21 |
|
E |
24 |
5 |
12511 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
31 |
10 |
17875 |
226.2 |
-1.1 |
0.566 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
C |
24 |
6 |
17875 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
29 |
9 |
17106 |
212.6 |
-1.2 |
0.399 |
1 |
1 |
0 |
0.008 |
19 |
23 |
|
[MES]B:507 |
12 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
17106 |
199.3 |
7.5 |
0.390 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[GOL]C:506 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
17875 |
145.0 |
-0.4 |
0.544 |
4 |
0 |
0 |
0.031 |
21 |
25 |
|
B |
17 |
4 |
17106 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
23 |
6 |
17070 |
143.5 |
-0.7 |
0.520 |
1 |
1 |
0 |
0.000 |
22 |
26 |
|
[GOL]A:504 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
17548 |
138.0 |
-0.5 |
0.510 |
4 |
0 |
0 |
0.035 |
23 |
27 |
|
[IMD]C:509 |
5 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
17875 |
131.2 |
4.1 |
0.409 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[GOL]B:505 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
17106 |
126.1 |
1.0 |
0.687 |
4 |
0 |
0 |
0.011 |
25 |
29 |
|
[GOL]A:503 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
17548 |
121.9 |
-0.0 |
0.621 |
6 |
0 |
0 |
0.040 |
26 |
30 |
|
D |
11 |
4 |
17070 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
14 |
5 |
12511 |
116.1 |
1.8 |
0.853 |
3 |
4 |
0 |
0.000 |
27 |
31 |
|
[GOL]C:505 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
17875 |
114.8 |
0.4 |
0.701 |
4 |
0 |
0 |
0.020 |
28 |
32 |
|
[GOL]C:504 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
6 |
17875 |
113.3 |
-0.9 |
0.470 |
1 |
0 |
0 |
0.020 |
29 |
33 |
|
[GOL]A:506 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17548 |
113.2 |
0.7 |
0.636 |
6 |
0 |
0 |
0.030 |
30 |
34 |
|
[IMD]C:508 |
5 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
17875 |
111.1 |
3.0 |
0.344 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
B |
11 |
4 |
17106 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
12511 |
107.1 |
0.2 |
0.704 |
1 |
1 |
0 |
0.000 |
32 |
36 |
|
[GOL]D:503 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
17070 |
106.2 |
-0.3 |
0.567 |
2 |
0 |
0 |
0.016 |
33 |
37 |
|
[GOL]B:504 |
5 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
17106 |
105.7 |
-0.7 |
0.481 |
3 |
0 |
0 |
0.030 |
34 |
38 |
|
C |
8 |
3 |
17875 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
17875 |
92.5 |
1.2 |
0.768 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[GOL]D:504 |
5 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
17070 |
92.5 |
0.2 |
0.570 |
3 |
0 |
0 |
0.015 |
36 |
40 |
|
[GOL]C:501 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
17106 |
89.6 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.005 |
37 |
41 |
|
[84F]D:505 |
8 |
1 |
603 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
17875 |
84.1 |
-2.4 |
0.516 |
2 |
0 |
0 |
0.041 |
42 |
|
[84F]B:508 |
8 |
1 |
597 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17548 |
81.6 |
-2.5 |
0.461 |
1 |
0 |
0 |
0.041 |
Average: |
82.9 |
-2.4 |
0.489 |
2 |
0 |
0 |
0.041 |
38 |
43 |
|
[GOL]B:503 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
17875 |
83.6 |
-0.6 |
0.491 |
0 |
0 |
0 |
0.009 |
39 |
44 |
|
[GOL]C:501 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
17875 |
76.5 |
-0.4 |
0.514 |
1 |
0 |
0 |
0.013 |
40 |
45 |
|
[GOL]B:503 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
17106 |
71.2 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[IMD]E:201 |
4 |
1 |
197 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
12511 |
69.0 |
1.6 |
0.316 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17070 |
53.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.078 |
48 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
17106 |
45.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
49.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.078 |
43 |
49 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
16136 |
51.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.061 |
44 |
50 |
|
[IMD]E:201 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17875 |
50.9 |
1.8 |
0.168 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
17875 |
47.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.084 |
52 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17548 |
44.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
46.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.084 |
46 |
53 |
|
[GOL]D:504 |
4 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
17875 |
46.5 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.004 |
47 |
54 |
|
[IMD]E:201 |
3 |
1 |
197 |
cf |
[GOL]D:504 |
x,y,z |
1_555 |
3 |
1 |
221 |
44.7 |
1.3 |
0.219 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
17548 |
42.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
49 |
56 |
|
[IMD]E:201 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
17070 |
40.4 |
0.9 |
0.119 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
[CA]B:506 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
17106 |
37.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.099 |
58 |
|
[CA]C:507 |
1 |
1 |
85 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
17106 |
23.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
30.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.099 |
51 |
59 |
|
[GOL]C:504 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
17070 |
37.3 |
0.4 |
0.691 |
1 |
0 |
0 |
0.000 |
52 |
60 |
|
[MES]B:507 |
5 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17548 |
35.1 |
0.3 |
0.048 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[GOL]C:506 |
5 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
12511 |
35.1 |
-0.5 |
0.479 |
0 |
0 |
0 |
0.006 |
54 |
62 |
|
[GOL]A:506 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12511 |
34.2 |
0.4 |
0.642 |
1 |
0 |
0 |
0.000 |
55 |
63 |
|
[CA]C:507 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
17875 |
33.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.034 |
64 |
|
C |
4 |
3 |
17875 |
◊ |
[CA]B:506 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
13.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
23.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
56 |
65 |
|
[GDP]D:501 |
6 |
1 |
561 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.062 |
66 |
|
[GDP]B:501 |
7 |
1 |
563 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
30.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.062 |
57 |
67 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
631 |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.063 |
68 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
[GTP]C:502 |
x,y,z |
1_555 |
4 |
1 |
628 |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
32.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.063 |
58 |
69 |
|
D |
3 |
2 |
17070 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
17548 |
30.8 |
0.8 |
0.882 |
1 |
1 |
0 |
0.000 |
59 |
70 |
|
E |
2 |
2 |
12511 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
3 |
17106 |
28.1 |
-0.4 |
0.459 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[GOL]A:504 |
2 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16136 |
27.7 |
0.8 |
0.757 |
1 |
0 |
0 |
0.000 |
61 |
72 |
|
[IMD]C:508 |
2 |
1 |
198 |
f |
[GOL]B:503 |
x,y,z |
1_555 |
4 |
1 |
217 |
27.4 |
0.7 |
0.277 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[GOL]C:505 |
2 |
1 |
219 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
12511 |
26.8 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[GOL]D:504 |
5 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
12511 |
25.8 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[CA]C:507 |
1 |
1 |
85 |
f |
[CA]B:506 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
23.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.100 |
65 |
76 |
|
[GTP]A:501 |
3 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17106 |
18.3 |
0.1 |
0.426 |
0 |
0 |
0 |
0.000 |
77 |
|
[GTP]C:502 |
3 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
17070 |
14.2 |
0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
16.3 |
0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17875 |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
79 |
|
[MG]C:503 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17070 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
80 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17106 |
4.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
6.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
68 |
81 |
|
D |
3 |
2 |
17070 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
17106 |
6.9 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
69 |
82 |
|
[GOL]B:504 |
1 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17875 |
5.9 |
-0.0 |
0.372 |
0 |
0 |
0 |
0.000 |
70 |
83 |
|
F |
2 |
1 |
16136 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
17106 |
5.8 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
71 |
84 |
|
[GDP]B:501 |
2 |
1 |
563 |
f |
[GOL]B:504 |
x,y,z |
1_555 |
1 |
1 |
223 |
3.1 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.002 |
72 |
85 |
|
[IMD]C:509 |
1 |
1 |
199 |
f |
[GOL]C:501 |
x,y,z |
1_555 |
1 |
1 |
217 |
2.9 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
|