## |
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 |
|
K |
62 |
12 |
1928 |
◊ |
D |
x,y,z |
1_555 |
96 |
35 |
9529 |
729.1 |
-5.9 |
0.689 |
11 |
1 |
0 |
0.457 |
2 |
2 |
|
I |
52 |
9 |
1489 |
◊ |
C |
x,y,z |
1_555 |
95 |
34 |
9636 |
673.7 |
-13.2 |
0.333 |
6 |
0 |
0 |
0.571 |
3 |
|
E |
52 |
9 |
1353 |
◊ |
A |
x,y,z |
1_555 |
89 |
33 |
9482 |
639.5 |
-12.4 |
0.360 |
7 |
0 |
0 |
0.571 |
Average: |
656.6 |
-12.8 |
0.346 |
7 |
0 |
0 |
0.571 |
3 |
4 |
|
D |
73 |
24 |
9529 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
9636 |
607.6 |
-5.1 |
0.374 |
6 |
0 |
0 |
0.050 |
4 |
5 |
|
D |
66 |
17 |
9529 |
◊ |
B |
x,y,z |
1_555 |
64 |
18 |
9294 |
552.8 |
0.0 |
0.795 |
12 |
7 |
0 |
0.004 |
5 |
6 |
|
C |
61 |
17 |
9636 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
66 |
16 |
9482 |
524.5 |
0.2 |
0.796 |
11 |
7 |
0 |
0.034 |
6 |
7 |
|
C |
66 |
19 |
9636 |
◊ |
D |
x,y-1,z |
1_545 |
52 |
17 |
9529 |
486.8 |
-2.2 |
0.495 |
5 |
0 |
0 |
0.026 |
7 |
8 |
|
H |
42 |
8 |
1489 |
◊ |
B |
x,y,z |
1_555 |
54 |
14 |
9294 |
431.7 |
-6.9 |
0.498 |
5 |
1 |
0 |
0.483 |
9 |
|
F |
42 |
8 |
1483 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
9482 |
423.3 |
-7.0 |
0.459 |
4 |
0 |
0 |
0.483 |
Average: |
427.5 |
-6.9 |
0.478 |
5 |
1 |
0 |
0.483 |
8 |
10 |
|
G |
30 |
6 |
1032 |
◊ |
B |
x,y,z |
1_555 |
65 |
21 |
9294 |
424.5 |
-6.6 |
0.636 |
4 |
0 |
0 |
0.406 |
9 |
11 |
|
L |
39 |
8 |
1571 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
9529 |
409.6 |
-7.7 |
0.403 |
4 |
0 |
0 |
0.472 |
10 |
12 |
|
J |
38 |
7 |
1400 |
◊ |
C |
x,y,z |
1_555 |
49 |
15 |
9636 |
399.8 |
-7.7 |
0.445 |
4 |
0 |
0 |
0.482 |
11 |
13 |
|
B |
55 |
17 |
9294 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
9482 |
396.5 |
-0.9 |
0.649 |
6 |
0 |
0 |
0.000 |
12 |
14 |
|
A |
39 |
11 |
9482 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
44 |
13 |
9529 |
349.0 |
-0.8 |
0.624 |
2 |
0 |
0 |
0.027 |
13 |
15 |
|
C |
42 |
11 |
9636 |
◊ |
B |
-x,y,-z |
2_555 |
38 |
12 |
9294 |
346.3 |
-1.0 |
0.613 |
2 |
0 |
0 |
0.033 |
14 |
16 |
|
F |
33 |
6 |
1483 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
12 |
9529 |
312.4 |
-8.1 |
0.179 |
3 |
0 |
0 |
0.472 |
15 |
17 |
|
H |
31 |
6 |
1489 |
◊ |
C |
-x,y,-z |
2_555 |
28 |
10 |
9636 |
284.6 |
-6.1 |
0.185 |
3 |
0 |
0 |
0.240 |
16 |
18 |
|
J |
32 |
6 |
1400 |
◊ |
B |
-x,y,-z |
2_555 |
32 |
11 |
9294 |
282.1 |
-6.0 |
0.278 |
2 |
0 |
0 |
0.246 |
19 |
|
A |
31 |
11 |
9482 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
29 |
6 |
1571 |
264.2 |
-6.6 |
0.232 |
2 |
0 |
0 |
0.246 |
Average: |
273.1 |
-6.3 |
0.255 |
2 |
0 |
0 |
0.246 |
17 |
20 |
|
C |
37 |
11 |
9636 |
◊ |
K |
x,y-1,z |
1_545 |
32 |
8 |
1928 |
259.5 |
-1.4 |
0.760 |
3 |
1 |
0 |
0.017 |
18 |
21 |
|
M |
24 |
4 |
725 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
9294 |
232.8 |
-5.3 |
0.475 |
0 |
0 |
0 |
0.033 |
19 |
22 |
|
I |
15 |
5 |
1489 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
9529 |
154.7 |
-1.5 |
0.660 |
1 |
0 |
0 |
0.010 |
20 |
23 |
|
C |
17 |
8 |
9636 |
◊ |
L |
x,y-1,z |
1_545 |
17 |
4 |
1571 |
153.5 |
-0.5 |
0.786 |
3 |
0 |
0 |
0.011 |
21 |
24 |
|
B |
20 |
6 |
9294 |
x |
B |
x,y-1,z |
1_545 |
10 |
4 |
9294 |
151.2 |
-0.7 |
0.235 |
1 |
1 |
0 |
0.000 |
22 |
25 |
|
A |
16 |
5 |
9482 |
x |
A |
x,y-1,z |
1_545 |
18 |
7 |
9482 |
149.9 |
-1.9 |
0.372 |
1 |
2 |
0 |
0.000 |
23 |
26 |
|
M |
16 |
4 |
725 |
◊ |
G |
x,y,z |
1_555 |
19 |
4 |
1032 |
138.2 |
-1.9 |
0.951 |
0 |
0 |
0 |
0.012 |
24 |
27 |
|
C |
27 |
8 |
9636 |
◊ |
[GOL]D:202 |
x,y-1,z |
1_545 |
6 |
1 |
216 |
118.6 |
-0.1 |
0.571 |
1 |
0 |
0 |
0.003 |
25 |
28 |
|
G |
9 |
1 |
1032 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
9482 |
99.4 |
-1.7 |
0.606 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
K |
13 |
2 |
1928 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
9294 |
97.3 |
-1.0 |
0.621 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[ACT]A:202 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9482 |
96.5 |
1.1 |
0.851 |
3 |
0 |
0 |
0.012 |
28 |
31 |
|
J |
12 |
4 |
1400 |
◊ |
H |
-x,y,-z |
2_555 |
13 |
4 |
1489 |
95.4 |
-3.8 |
0.567 |
0 |
0 |
0 |
0.128 |
32 |
|
F |
13 |
4 |
1483 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
1571 |
93.9 |
-3.8 |
0.499 |
0 |
0 |
0 |
0.128 |
Average: |
94.7 |
-3.8 |
0.533 |
0 |
0 |
0 |
0.128 |
29 |
33 |
|
H |
8 |
2 |
1489 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9482 |
78.0 |
-0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[GOL]A:203 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
9482 |
76.5 |
-0.2 |
0.481 |
1 |
0 |
0 |
0.032 |
31 |
35 |
|
M |
13 |
2 |
725 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9482 |
75.4 |
-0.6 |
0.769 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9529 |
62.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.505 |
33 |
37 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9294 |
62.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.525 |
38 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9636 |
61.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.525 |
39 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9482 |
59.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.525 |
Average: |
61.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.525 |
34 |
40 |
|
[GOL]A:203 |
5 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
1353 |
61.3 |
-0.1 |
0.679 |
1 |
0 |
0 |
0.018 |
35 |
41 |
|
[GOL]D:202 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9529 |
59.5 |
0.7 |
0.773 |
3 |
0 |
0 |
0.030 |
36 |
42 |
|
[NH2]K:35 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
9529 |
57.9 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
L |
5 |
2 |
1571 |
◊ |
D |
-x,y,-z+1 |
2_556 |
6 |
2 |
9529 |
54.1 |
1.4 |
0.877 |
2 |
3 |
0 |
0.000 |
38 |
44 |
|
[NH2]I:35 |
1 |
1 |
117 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
1489 |
49.7 |
0.2 |
0.795 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[NH2]F:35 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
1483 |
49.6 |
0.2 |
0.826 |
0 |
0 |
0 |
0.000 |
46 |
|
[NH2]L:35 |
1 |
1 |
117 |
cf |
L |
x,y,z |
1_555 |
4 |
1 |
1571 |
47.6 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
B |
5 |
3 |
9294 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
9529 |
49.4 |
-1.4 |
0.169 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
F |
5 |
1 |
1483 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
1928 |
46.2 |
-1.1 |
0.575 |
0 |
0 |
0 |
0.032 |
42 |
49 |
|
C |
7 |
2 |
9636 |
◊ |
[GOL]A:203 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
220 |
45.1 |
-0.4 |
0.475 |
0 |
0 |
0 |
0.003 |
43 |
50 |
|
[NH2]H:35 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9482 |
44.5 |
0.7 |
0.785 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
F |
4 |
1 |
1483 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9294 |
44.0 |
-0.7 |
0.555 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[NH2]K:35 |
1 |
1 |
117 |
cf |
K |
x,y,z |
1_555 |
7 |
2 |
1928 |
38.9 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[NH2]F:35 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
9294 |
33.3 |
0.5 |
0.797 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[NH2]H:35 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
4 |
1 |
1489 |
33.2 |
0.0 |
0.780 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
C |
4 |
4 |
9636 |
◊ |
[NH2]L:35 |
x,y-1,z |
1_545 |
1 |
1 |
117 |
32.2 |
1.1 |
0.958 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[NH2]I:35 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
9529 |
30.9 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
M |
7 |
1 |
725 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1489 |
29.9 |
-0.5 |
0.824 |
0 |
0 |
0 |
0.003 |
51 |
58 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1353 |
28.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.085 |
59 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
1489 |
24.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
26.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
60 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1928 |
25.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.113 |
53 |
61 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1032 |
24.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.106 |
54 |
62 |
|
K |
1 |
1 |
1928 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
1571 |
23.4 |
-0.7 |
0.233 |
0 |
0 |
0 |
0.016 |
55 |
63 |
|
J |
2 |
1 |
1400 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
9529 |
19.3 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[NH2]L:35 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9529 |
17.5 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
D |
3 |
1 |
9529 |
◊ |
D |
-x,y,-z+1 |
2_556 |
3 |
1 |
9529 |
17.4 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
C |
1 |
1 |
9636 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
1483 |
12.9 |
0.7 |
0.917 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
K |
2 |
2 |
1928 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9636 |
11.5 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.002 |
60 |
68 |
|
[NH2]K:35 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
9636 |
11.1 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[NH2]H:35 |
1 |
1 |
117 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
725 |
9.6 |
-0.0 |
0.929 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[NH2]I:35 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9636 |
5.6 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[NH2]L:35 |
1 |
1 |
117 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
1928 |
5.0 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
L |
1 |
1 |
1571 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9636 |
4.8 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
65 |
73 |
|
[NH2]H:35 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9294 |
4.5 |
0.1 |
0.874 |
0 |
0 |
0 |
0.000 |
66 |
74 |
|
E |
1 |
1 |
1353 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
1571 |
0.4 |
-0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
|