## |
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 |
|
H |
195 |
52 |
17342 |
◊ |
A |
x,y,z |
1_555 |
192 |
46 |
17643 |
1819.5 |
-18.7 |
0.058 |
22 |
7 |
0 |
0.406 |
2 |
|
B |
196 |
52 |
17340 |
◊ |
K |
x,y,z |
1_555 |
192 |
46 |
17647 |
1816.7 |
-18.8 |
0.058 |
22 |
7 |
0 |
0.406 |
3 |
|
I |
196 |
54 |
17319 |
◊ |
C |
x,y,z |
1_555 |
191 |
47 |
17659 |
1816.2 |
-18.7 |
0.059 |
22 |
7 |
0 |
0.406 |
4 |
|
G |
197 |
53 |
17343 |
◊ |
E |
x,y,z |
1_555 |
194 |
46 |
17662 |
1815.7 |
-18.6 |
0.061 |
22 |
7 |
0 |
0.406 |
5 |
|
D |
196 |
54 |
17317 |
◊ |
L |
x,y,z |
1_555 |
190 |
47 |
17656 |
1814.4 |
-18.7 |
0.058 |
22 |
7 |
0 |
0.406 |
6 |
|
F |
197 |
53 |
17350 |
◊ |
J |
x,y,z |
1_555 |
194 |
46 |
17662 |
1812.8 |
-18.7 |
0.061 |
22 |
7 |
0 |
0.406 |
Average: |
1815.9 |
-18.7 |
0.059 |
22 |
7 |
0 |
0.406 |
2 |
7 |
|
F |
153 |
41 |
17350 |
◊ |
E |
x,y,z |
1_555 |
147 |
43 |
17662 |
1322.8 |
-12.0 |
0.138 |
12 |
1 |
0 |
0.285 |
8 |
|
B |
153 |
41 |
17340 |
◊ |
A |
x,y,z |
1_555 |
149 |
42 |
17643 |
1322.7 |
-12.0 |
0.138 |
11 |
1 |
0 |
0.285 |
9 |
|
D |
151 |
41 |
17317 |
◊ |
C |
x,y,z |
1_555 |
148 |
42 |
17659 |
1320.6 |
-11.8 |
0.138 |
11 |
1 |
0 |
0.285 |
Average: |
1322.0 |
-11.9 |
0.138 |
11 |
1 |
0 |
0.285 |
3 |
10 |
|
T |
59 |
13 |
4025 |
◊ |
A |
x,y,z |
1_555 |
85 |
27 |
17643 |
684.0 |
-5.9 |
0.604 |
9 |
0 |
0 |
0.129 |
11 |
|
P |
59 |
13 |
4018 |
◊ |
C |
x,y,z |
1_555 |
87 |
27 |
17659 |
681.9 |
-6.0 |
0.596 |
9 |
0 |
0 |
0.129 |
Average: |
683.0 |
-5.9 |
0.600 |
9 |
0 |
0 |
0.129 |
4 |
12 |
|
[G2P]I:501 |
31 |
1 |
643 |
f |
I |
x,y,z |
1_555 |
70 |
31 |
17319 |
461.8 |
-4.2 |
0.520 |
16 |
0 |
0 |
0.187 |
13 |
|
[G2P]H:501 |
31 |
1 |
642 |
f |
H |
x,y,z |
1_555 |
70 |
31 |
17342 |
460.2 |
-4.3 |
0.524 |
17 |
0 |
0 |
0.187 |
14 |
|
[G2P]B:501 |
31 |
1 |
642 |
f |
B |
x,y,z |
1_555 |
70 |
30 |
17340 |
457.7 |
-4.2 |
0.516 |
16 |
0 |
0 |
0.187 |
15 |
|
[G2P]G:501 |
32 |
1 |
639 |
f |
G |
x,y,z |
1_555 |
68 |
29 |
17343 |
456.8 |
-4.1 |
0.525 |
16 |
0 |
0 |
0.187 |
16 |
|
[G2P]D:501 |
31 |
1 |
642 |
f |
D |
x,y,z |
1_555 |
68 |
30 |
17317 |
456.5 |
-4.2 |
0.511 |
16 |
0 |
0 |
0.187 |
17 |
|
[G2P]F:501 |
32 |
1 |
638 |
f |
F |
x,y,z |
1_555 |
68 |
29 |
17350 |
454.9 |
-4.0 |
0.522 |
16 |
0 |
0 |
0.187 |
Average: |
458.0 |
-4.2 |
0.520 |
16 |
0 |
0 |
0.187 |
5 |
18 |
|
[GTP]C:501 |
31 |
1 |
639 |
f |
C |
x,y,z |
1_555 |
67 |
27 |
17659 |
420.0 |
-3.3 |
0.495 |
20 |
0 |
0 |
0.206 |
19 |
|
[GTP]L:501 |
31 |
1 |
637 |
f |
L |
x,y,z |
1_555 |
68 |
28 |
17656 |
419.5 |
-3.2 |
0.501 |
20 |
0 |
0 |
0.206 |
20 |
|
[GTP]J:501 |
31 |
1 |
636 |
f |
J |
x,y,z |
1_555 |
67 |
28 |
17662 |
418.7 |
-3.3 |
0.495 |
19 |
0 |
0 |
0.206 |
21 |
|
[GTP]K:501 |
31 |
1 |
638 |
f |
K |
x,y,z |
1_555 |
65 |
27 |
17647 |
418.4 |
-3.1 |
0.494 |
20 |
0 |
0 |
0.206 |
22 |
|
[GTP]A:501 |
31 |
1 |
637 |
f |
A |
x,y,z |
1_555 |
67 |
28 |
17643 |
418.1 |
-3.1 |
0.490 |
21 |
0 |
0 |
0.206 |
23 |
|
[GTP]E:501 |
31 |
1 |
636 |
f |
E |
x,y,z |
1_555 |
67 |
28 |
17662 |
417.9 |
-3.3 |
0.491 |
21 |
0 |
0 |
0.206 |
Average: |
418.8 |
-3.2 |
0.494 |
20 |
0 |
0 |
0.206 |
6 |
24 |
|
T |
34 |
10 |
4025 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
17340 |
411.0 |
-5.5 |
0.396 |
4 |
0 |
0 |
0.093 |
25 |
|
P |
35 |
10 |
4018 |
◊ |
D |
x,y,z |
1_555 |
47 |
14 |
17317 |
410.3 |
-5.4 |
0.411 |
4 |
0 |
0 |
0.093 |
Average: |
410.7 |
-5.4 |
0.404 |
4 |
0 |
0 |
0.093 |
7 |
26 |
|
D |
45 |
16 |
17317 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
17340 |
381.7 |
-1.0 |
0.536 |
7 |
2 |
0 |
0.036 |
27 |
|
I |
45 |
16 |
17319 |
◊ |
H |
x,y,z |
1_555 |
43 |
12 |
17342 |
381.4 |
-1.0 |
0.535 |
7 |
2 |
0 |
0.036 |
28 |
|
F |
43 |
12 |
17350 |
◊ |
B |
x,y,z |
1_555 |
46 |
16 |
17340 |
380.3 |
-1.0 |
0.540 |
7 |
2 |
0 |
0.036 |
29 |
|
H |
46 |
16 |
17342 |
◊ |
G |
x,y,z |
1_555 |
43 |
12 |
17343 |
379.9 |
-1.0 |
0.538 |
7 |
2 |
0 |
0.036 |
Average: |
380.8 |
-1.0 |
0.537 |
7 |
2 |
0 |
0.036 |
8 |
30 |
|
L |
47 |
16 |
17656 |
◊ |
K |
x,y,z |
1_555 |
41 |
11 |
17647 |
360.8 |
-1.4 |
0.478 |
3 |
0 |
0 |
0.018 |
31 |
|
C |
46 |
16 |
17659 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
17643 |
360.5 |
-1.4 |
0.473 |
3 |
0 |
0 |
0.018 |
32 |
|
K |
47 |
16 |
17647 |
◊ |
J |
x,y,z |
1_555 |
41 |
11 |
17662 |
358.9 |
-1.4 |
0.486 |
3 |
0 |
0 |
0.018 |
33 |
|
E |
40 |
11 |
17662 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
17643 |
357.6 |
-0.4 |
0.537 |
3 |
0 |
0 |
0.018 |
Average: |
359.4 |
-1.2 |
0.493 |
3 |
0 |
0 |
0.018 |
9 |
34 |
|
P |
23 |
5 |
4018 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
17643 |
293.7 |
-6.4 |
0.146 |
1 |
0 |
0 |
0.055 |
35 |
|
T |
23 |
5 |
4025 |
◊ |
E |
x,y,z |
1_555 |
36 |
11 |
17662 |
291.8 |
-6.4 |
0.137 |
1 |
0 |
0 |
0.055 |
Average: |
292.8 |
-6.4 |
0.142 |
1 |
0 |
0 |
0.055 |
10 |
36 |
|
T |
27 |
6 |
4025 |
◊ |
F |
x,y,z |
1_555 |
39 |
11 |
17350 |
282.7 |
-2.8 |
0.561 |
0 |
0 |
0 |
0.022 |
37 |
|
P |
27 |
6 |
4018 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
17340 |
279.9 |
-2.7 |
0.565 |
0 |
0 |
0 |
0.022 |
Average: |
281.3 |
-2.8 |
0.563 |
0 |
0 |
0 |
0.022 |
11 |
38 |
|
[GTP]E:501 |
12 |
1 |
636 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
17343 |
78.0 |
0.4 |
0.651 |
1 |
0 |
0 |
0.002 |
39 |
|
[GTP]A:501 |
12 |
1 |
637 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
17342 |
77.6 |
0.5 |
0.663 |
1 |
0 |
0 |
0.002 |
40 |
|
[GTP]L:501 |
13 |
1 |
637 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
17317 |
77.6 |
0.3 |
0.661 |
1 |
0 |
0 |
0.002 |
41 |
|
[GTP]J:501 |
12 |
1 |
636 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
17350 |
77.5 |
0.3 |
0.657 |
1 |
0 |
0 |
0.002 |
42 |
|
[GTP]C:501 |
12 |
1 |
639 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
17319 |
77.4 |
0.4 |
0.661 |
1 |
0 |
0 |
0.002 |
43 |
|
[GTP]K:501 |
12 |
1 |
638 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
17340 |
77.2 |
0.3 |
0.651 |
1 |
0 |
0 |
0.002 |
Average: |
77.5 |
0.4 |
0.657 |
1 |
0 |
0 |
0.002 |
12 |
44 |
|
[MG]H:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
17342 |
50.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.090 |
45 |
|
[MG]G:502 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
17343 |
49.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.090 |
46 |
|
[MG]I:502 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
13 |
6 |
17319 |
49.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.090 |
47 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17340 |
49.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.090 |
48 |
|
[MG]F:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
17350 |
48.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.090 |
49 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
17317 |
48.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
49.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.090 |
13 |
50 |
|
[G2P]D:501 |
9 |
1 |
642 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17659 |
45.9 |
-0.2 |
0.423 |
0 |
0 |
0 |
0.003 |
51 |
|
[G2P]F:501 |
9 |
1 |
638 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
17662 |
45.2 |
-0.2 |
0.415 |
0 |
0 |
0 |
0.003 |
52 |
|
[G2P]B:501 |
9 |
1 |
642 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17643 |
44.8 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.003 |
Average: |
45.3 |
-0.2 |
0.421 |
0 |
0 |
0 |
0.003 |
14 |
53 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
17659 |
45.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.081 |
54 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17643 |
45.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.081 |
55 |
|
[MG]L:502 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
17656 |
45.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
56 |
|
[MG]K:502 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
14 |
7 |
17647 |
45.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
57 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
17662 |
44.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.081 |
58 |
|
[MG]J:502 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
17662 |
44.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
45.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
15 |
59 |
|
[G2P]D:501 |
4 |
1 |
642 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.082 |
60 |
|
[G2P]H:501 |
5 |
1 |
642 |
f |
[MG]H:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.082 |
61 |
|
[G2P]G:501 |
5 |
1 |
639 |
f |
[MG]G:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.082 |
62 |
|
[G2P]I:501 |
4 |
1 |
643 |
f |
[MG]I:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.082 |
63 |
|
[G2P]F:501 |
5 |
1 |
638 |
f |
[MG]F:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.082 |
64 |
|
[G2P]B:501 |
4 |
1 |
642 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
34.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.082 |
16 |
65 |
|
[MG]K:502 |
1 |
1 |
98 |
f |
[GTP]K:501 |
x,y,z |
1_555 |
4 |
1 |
638 |
33.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
66 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
639 |
33.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
67 |
|
[MG]L:502 |
1 |
1 |
98 |
f |
[GTP]L:501 |
x,y,z |
1_555 |
5 |
1 |
637 |
32.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
68 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
637 |
32.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
69 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
[GTP]E:501 |
x,y,z |
1_555 |
5 |
1 |
636 |
32.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.075 |
70 |
|
[MG]J:502 |
1 |
1 |
98 |
f |
[GTP]J:501 |
x,y,z |
1_555 |
4 |
1 |
636 |
32.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
32.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
17 |
71 |
|
[MG]J:502 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
17350 |
11.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
72 |
|
[MG]K:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17340 |
10.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
73 |
|
[MG]L:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17317 |
9.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
74 |
|
[MG]E:502 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
17343 |
9.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
75 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
17342 |
9.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
76 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
17319 |
9.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
10.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
18 |
77 |
|
[MG]F:502 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17662 |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
78 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17643 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
79 |
|
[MG]D:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17659 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|