## |
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 |
|
B |
112 |
33 |
7843 |
◊ |
A |
x,y,z |
1_555 |
112 |
31 |
8079 |
1124.7 |
-5.0 |
0.386 |
18 |
0 |
0 |
0.352 |
2 |
|
D |
113 |
33 |
7780 |
◊ |
C |
x,y,z |
1_555 |
115 |
30 |
8164 |
1124.2 |
-4.6 |
0.376 |
16 |
0 |
0 |
0.352 |
3 |
|
F |
97 |
29 |
7431 |
◊ |
E |
x,y,z |
1_555 |
103 |
30 |
8040 |
957.3 |
-7.4 |
0.217 |
13 |
0 |
0 |
0.352 |
4 |
|
H |
83 |
24 |
6358 |
◊ |
G |
x,y,z |
1_555 |
88 |
26 |
8173 |
823.5 |
-7.1 |
0.265 |
11 |
0 |
0 |
0.352 |
Average: |
1007.4 |
-6.0 |
0.311 |
15 |
0 |
0 |
0.352 |
2 |
5 |
|
H |
104 |
27 |
6358 |
◊ |
F |
x,y,z |
1_555 |
105 |
27 |
7431 |
1067.3 |
-14.6 |
0.104 |
23 |
1 |
0 |
1.000 |
6 |
|
D |
106 |
27 |
7780 |
◊ |
B |
x,y,z |
1_555 |
103 |
28 |
7843 |
1041.1 |
-14.9 |
0.079 |
18 |
0 |
0 |
1.000 |
Average: |
1054.2 |
-14.7 |
0.092 |
21 |
1 |
0 |
1.000 |
3 |
7 |
|
H |
57 |
16 |
6358 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
68 |
16 |
7843 |
581.6 |
-6.9 |
0.267 |
2 |
3 |
0 |
0.000 |
8 |
|
F |
58 |
15 |
7431 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
66 |
16 |
7780 |
566.6 |
-7.1 |
0.218 |
4 |
3 |
0 |
0.000 |
Average: |
574.1 |
-7.0 |
0.242 |
3 |
3 |
0 |
0.000 |
4 |
9 |
|
[GTP]A:184 |
31 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
59 |
23 |
8079 |
400.5 |
-3.3 |
0.482 |
22 |
0 |
0 |
0.354 |
10 |
|
[GTP]G:184 |
29 |
1 |
642 |
f |
G |
x,y,z |
1_555 |
58 |
22 |
8173 |
393.6 |
-2.5 |
0.558 |
21 |
0 |
0 |
0.354 |
11 |
|
[GTP]C:184 |
30 |
1 |
635 |
f |
C |
x,y,z |
1_555 |
57 |
22 |
8164 |
393.6 |
-3.0 |
0.494 |
19 |
0 |
0 |
0.354 |
12 |
|
[GTP]E:184 |
31 |
1 |
636 |
f |
E |
x,y,z |
1_555 |
55 |
22 |
8040 |
390.6 |
-3.3 |
0.477 |
20 |
0 |
0 |
0.354 |
Average: |
394.6 |
-3.0 |
0.503 |
21 |
0 |
0 |
0.354 |
5 |
13 |
|
D |
36 |
10 |
7780 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
8 |
8164 |
314.2 |
0.4 |
0.522 |
5 |
2 |
0 |
0.000 |
14 |
|
E |
31 |
7 |
8040 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
11 |
7431 |
301.1 |
0.1 |
0.498 |
5 |
1 |
0 |
0.000 |
Average: |
307.7 |
0.3 |
0.510 |
5 |
2 |
0 |
0.000 |
6 |
15 |
|
A |
31 |
10 |
8079 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
40 |
9 |
8164 |
311.0 |
-0.2 |
0.524 |
2 |
0 |
0 |
0.000 |
7 |
16 |
|
F |
34 |
7 |
7431 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
9 |
7780 |
286.9 |
-3.3 |
0.310 |
1 |
2 |
0 |
0.000 |
17 |
|
H |
7 |
2 |
6358 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
9 |
3 |
7843 |
48.5 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.000 |
Average: |
167.7 |
-2.1 |
0.363 |
1 |
1 |
0 |
0.000 |
8 |
18 |
|
G |
31 |
11 |
8173 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
33 |
8 |
8040 |
268.3 |
-1.2 |
0.328 |
3 |
0 |
0 |
0.000 |
9 |
19 |
|
G |
22 |
7 |
8173 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
5 |
7843 |
176.9 |
0.8 |
0.709 |
1 |
0 |
0 |
0.000 |
20 |
|
E |
19 |
5 |
8040 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
15 |
4 |
7780 |
150.6 |
-1.2 |
0.346 |
1 |
0 |
0 |
0.000 |
Average: |
163.8 |
-0.2 |
0.527 |
1 |
0 |
0 |
0.000 |
10 |
21 |
|
G |
17 |
5 |
8173 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
18 |
7 |
8079 |
157.2 |
2.4 |
0.775 |
3 |
0 |
0 |
0.000 |
22 |
|
E |
18 |
6 |
8040 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
19 |
7 |
8164 |
141.1 |
1.8 |
0.742 |
4 |
0 |
0 |
0.000 |
Average: |
149.1 |
2.1 |
0.759 |
4 |
0 |
0 |
0.000 |
11 |
23 |
|
F |
14 |
4 |
7431 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
8173 |
128.2 |
-0.9 |
0.342 |
0 |
0 |
0 |
0.023 |
24 |
|
D |
12 |
3 |
7780 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8079 |
119.0 |
-1.0 |
0.301 |
0 |
0 |
0 |
0.023 |
25 |
|
H |
11 |
3 |
6358 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
8040 |
105.7 |
-1.1 |
0.307 |
0 |
0 |
0 |
0.023 |
26 |
|
B |
8 |
2 |
7843 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8164 |
70.5 |
-0.8 |
0.403 |
1 |
0 |
0 |
0.023 |
Average: |
105.9 |
-0.9 |
0.338 |
0 |
0 |
0 |
0.023 |
12 |
27 |
|
F |
17 |
8 |
7431 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
10 |
7843 |
122.1 |
1.5 |
0.783 |
1 |
1 |
0 |
0.000 |
28 |
|
H |
5 |
2 |
6358 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
7780 |
39.8 |
-0.9 |
0.253 |
0 |
2 |
0 |
0.000 |
Average: |
80.9 |
0.3 |
0.518 |
1 |
2 |
0 |
0.000 |
13 |
29 |
|
E |
13 |
6 |
8040 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
2 |
8164 |
89.9 |
2.3 |
0.872 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
[GOL]F:1 |
6 |
1 |
222 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
8040 |
79.8 |
-0.2 |
0.441 |
2 |
0 |
0 |
0.030 |
15 |
31 |
|
F |
7 |
3 |
7431 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
3 |
8164 |
72.8 |
-2.0 |
0.145 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
4 |
2 |
6358 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
2 |
8079 |
49.4 |
-1.4 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
61.1 |
-1.7 |
0.153 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
[GOL]F:1 |
4 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
7431 |
69.2 |
-0.8 |
0.365 |
1 |
0 |
0 |
0.100 |
17 |
34 |
|
G |
6 |
3 |
8173 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
3 |
8079 |
64.7 |
1.1 |
0.777 |
1 |
0 |
0 |
0.000 |
18 |
35 |
|
G |
9 |
4 |
8173 |
◊ |
C |
x,y-1,z-1 |
1_544 |
4 |
1 |
8164 |
57.6 |
0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
19 |
36 |
|
G |
6 |
2 |
8173 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
7843 |
56.8 |
-1.4 |
0.204 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[MG]C:185 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8164 |
40.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.176 |
38 |
|
[MG]G:185 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
8173 |
40.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.176 |
39 |
|
[MG]E:185 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
8040 |
39.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.176 |
40 |
|
[MG]A:185 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8079 |
39.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
39.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.176 |
21 |
41 |
|
[MG]A:185 |
1 |
1 |
98 |
f |
[GTP]A:184 |
x,y,z |
1_555 |
4 |
1 |
642 |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.129 |
42 |
|
[MG]G:185 |
1 |
1 |
98 |
f |
[GTP]G:184 |
x,y,z |
1_555 |
6 |
1 |
642 |
33.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.129 |
43 |
|
[MG]C:185 |
1 |
1 |
98 |
f |
[GTP]C:184 |
x,y,z |
1_555 |
4 |
1 |
635 |
33.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.129 |
44 |
|
[MG]E:185 |
1 |
1 |
98 |
f |
[GTP]E:184 |
x,y,z |
1_555 |
4 |
1 |
636 |
33.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
33.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.129 |
22 |
45 |
|
E |
5 |
2 |
8040 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
5 |
8079 |
30.7 |
0.3 |
0.672 |
0 |
0 |
0 |
0.000 |
23 |
46 |
|
[GOL]F:1 |
3 |
1 |
222 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
2 |
7780 |
27.2 |
-0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
F |
6 |
2 |
7431 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
4 |
3 |
8164 |
26.7 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[GOL]F:1 |
2 |
1 |
222 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
8164 |
15.8 |
0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
E |
1 |
1 |
8040 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
7780 |
13.7 |
-0.4 |
0.175 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
[GTP]C:184 |
1 |
1 |
635 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7780 |
7.5 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.010 |
51 |
|
[GTP]A:184 |
1 |
1 |
642 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7843 |
4.9 |
-0.2 |
0.456 |
0 |
0 |
0 |
0.010 |
Average: |
6.2 |
-0.3 |
0.422 |
0 |
0 |
0 |
0.010 |
28 |
52 |
|
[GTP]E:184 |
1 |
1 |
636 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
7431 |
3.2 |
0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
|