## |
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 |
|
L |
86 |
24 |
3880 |
◊ |
G |
x,y,z |
1_555 |
106 |
27 |
4786 |
959.9 |
-13.4 |
0.332 |
13 |
0 |
0 |
1.000 |
2 |
|
H |
93 |
24 |
3926 |
◊ |
I |
x,y,z |
1_555 |
103 |
25 |
4751 |
947.3 |
-13.4 |
0.350 |
13 |
0 |
0 |
1.000 |
3 |
|
J |
83 |
22 |
3459 |
◊ |
K |
x,y,z |
1_555 |
95 |
25 |
4777 |
894.4 |
-12.1 |
0.426 |
12 |
0 |
0 |
1.000 |
4 |
|
D |
83 |
21 |
3330 |
◊ |
E |
x,y,z |
1_555 |
93 |
25 |
4718 |
872.7 |
-12.1 |
0.423 |
10 |
0 |
0 |
1.000 |
5 |
|
F |
79 |
22 |
3459 |
◊ |
A |
x,y,z |
1_555 |
96 |
25 |
4770 |
870.2 |
-13.6 |
0.316 |
13 |
0 |
0 |
1.000 |
6 |
|
B |
74 |
20 |
3138 |
◊ |
C |
x,y,z |
1_555 |
81 |
22 |
4629 |
790.9 |
-10.3 |
0.393 |
13 |
0 |
0 |
1.000 |
Average: |
889.2 |
-12.5 |
0.373 |
12 |
0 |
0 |
1.000 |
2 |
7 |
|
H |
85 |
24 |
3926 |
◊ |
G |
x,y,z |
1_555 |
101 |
25 |
4786 |
930.1 |
-10.5 |
0.434 |
10 |
6 |
0 |
1.000 |
8 |
|
L |
78 |
24 |
3880 |
◊ |
K |
x,y,z |
1_555 |
99 |
24 |
4777 |
883.8 |
-11.9 |
0.329 |
9 |
4 |
0 |
1.000 |
9 |
|
J |
74 |
22 |
3459 |
◊ |
I |
x,y,z |
1_555 |
98 |
23 |
4751 |
825.0 |
-12.2 |
0.395 |
8 |
5 |
0 |
1.000 |
10 |
|
F |
75 |
21 |
3459 |
◊ |
E |
x,y,z |
1_555 |
88 |
23 |
4718 |
806.0 |
-10.3 |
0.446 |
7 |
5 |
0 |
1.000 |
11 |
|
D |
72 |
21 |
3330 |
◊ |
C |
x,y,z |
1_555 |
99 |
23 |
4629 |
802.6 |
-8.8 |
0.503 |
10 |
3 |
0 |
1.000 |
12 |
|
B |
74 |
19 |
3138 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
4770 |
755.8 |
-10.1 |
0.514 |
7 |
3 |
0 |
1.000 |
Average: |
833.9 |
-10.6 |
0.437 |
9 |
4 |
0 |
1.000 |
3 |
13 |
|
K |
56 |
19 |
4777 |
◊ |
I |
x,y,z |
1_555 |
57 |
20 |
4751 |
589.6 |
-14.5 |
0.040 |
1 |
0 |
0 |
0.788 |
14 |
|
I |
57 |
18 |
4751 |
◊ |
G |
x,y,z |
1_555 |
58 |
19 |
4786 |
580.8 |
-14.8 |
0.037 |
1 |
0 |
0 |
0.788 |
15 |
|
E |
58 |
20 |
4718 |
◊ |
A |
x,y,z |
1_555 |
49 |
18 |
4770 |
572.2 |
-14.4 |
0.039 |
0 |
0 |
0 |
0.788 |
16 |
|
K |
61 |
22 |
4777 |
◊ |
G |
x,y,z |
1_555 |
55 |
19 |
4786 |
569.8 |
-14.3 |
0.039 |
0 |
0 |
0 |
0.788 |
17 |
|
C |
52 |
17 |
4629 |
◊ |
A |
x,y,z |
1_555 |
58 |
20 |
4770 |
568.6 |
-13.7 |
0.063 |
0 |
0 |
0 |
0.788 |
18 |
|
E |
54 |
19 |
4718 |
◊ |
C |
x,y,z |
1_555 |
57 |
18 |
4629 |
560.3 |
-14.5 |
0.044 |
0 |
0 |
0 |
0.788 |
Average: |
573.6 |
-14.4 |
0.044 |
0 |
0 |
0 |
0.788 |
4 |
19 |
|
E |
25 |
7 |
4718 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
8 |
3138 |
253.3 |
1.8 |
0.873 |
4 |
0 |
0 |
0.000 |
20 |
|
K |
25 |
8 |
4777 |
◊ |
H |
x-1,y,z |
1_455 |
27 |
10 |
3926 |
227.0 |
2.9 |
0.938 |
5 |
0 |
0 |
0.000 |
Average: |
240.1 |
2.4 |
0.905 |
5 |
0 |
0 |
0.000 |
5 |
21 |
|
F |
29 |
8 |
3459 |
◊ |
I |
x,y,z |
1_555 |
27 |
8 |
4751 |
233.4 |
1.8 |
0.922 |
5 |
1 |
0 |
0.000 |
6 |
22 |
|
L |
26 |
9 |
3880 |
◊ |
D |
x-1,y+1,z |
1_465 |
26 |
7 |
3330 |
213.1 |
-0.5 |
0.825 |
3 |
5 |
0 |
0.003 |
7 |
23 |
|
J |
23 |
6 |
3459 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
3138 |
173.0 |
3.0 |
0.946 |
4 |
2 |
0 |
0.000 |
8 |
24 |
|
J |
19 |
5 |
3459 |
◊ |
F |
x,y,z |
1_555 |
14 |
3 |
3459 |
132.3 |
1.6 |
0.888 |
3 |
4 |
0 |
0.000 |
25 |
|
L |
14 |
4 |
3880 |
◊ |
H |
x-1,y,z |
1_455 |
14 |
4 |
3926 |
128.9 |
2.2 |
0.874 |
3 |
4 |
0 |
0.000 |
Average: |
130.6 |
1.9 |
0.881 |
3 |
4 |
0 |
0.000 |
9 |
26 |
|
F |
11 |
5 |
3459 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
3138 |
107.3 |
1.7 |
0.865 |
1 |
3 |
0 |
0.000 |
10 |
27 |
|
I |
10 |
2 |
4751 |
◊ |
K |
x-1,y,z+1 |
1_456 |
9 |
3 |
4777 |
71.3 |
0.5 |
0.799 |
1 |
0 |
0 |
0.000 |
28 |
|
E |
6 |
2 |
4718 |
◊ |
A |
x-1,y,z+1 |
1_456 |
4 |
3 |
4770 |
43.5 |
0.6 |
0.800 |
1 |
0 |
0 |
0.000 |
29 |
|
G |
3 |
2 |
4786 |
◊ |
I |
x-1,y,z+1 |
1_456 |
5 |
3 |
4751 |
38.3 |
1.1 |
0.869 |
2 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
4770 |
◊ |
C |
x-1,y,z+1 |
1_456 |
2 |
1 |
4629 |
22.4 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
1 |
1 |
4629 |
◊ |
E |
x-1,y,z+1 |
1_456 |
1 |
1 |
4718 |
0.6 |
0.0 |
0.731 |
0 |
0 |
0 |
0.000 |
Average: |
35.2 |
0.5 |
0.765 |
1 |
0 |
0 |
0.000 |
11 |
32 |
|
D |
10 |
3 |
3330 |
◊ |
G |
x,y-1,z+1 |
1_546 |
7 |
2 |
4786 |
68.1 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
12 |
33 |
|
D |
8 |
4 |
3330 |
◊ |
[CAC]G:201 |
x,y-1,z+1 |
1_546 |
5 |
1 |
242 |
66.5 |
1.7 |
0.268 |
0 |
0 |
0 |
0.000 |
13 |
34 |
|
L |
9 |
3 |
3880 |
◊ |
H |
x-1,y,z+1 |
1_456 |
7 |
2 |
3926 |
60.9 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
14 |
35 |
|
H |
2 |
2 |
3926 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
3459 |
57.3 |
-0.7 |
0.425 |
0 |
0 |
0 |
0.000 |
15 |
36 |
|
J |
8 |
3 |
3459 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
4770 |
56.2 |
1.5 |
0.887 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[NA]K:205 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
7 |
3 |
4777 |
53.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.262 |
38 |
|
[NA]G:208 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
4786 |
49.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.262 |
Average: |
51.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.262 |
17 |
39 |
|
C |
10 |
4 |
4629 |
f |
[ACT]H:202 |
x,y-1,z+1 |
1_546 |
4 |
1 |
182 |
52.2 |
-0.9 |
0.605 |
0 |
0 |
0 |
0.017 |
18 |
40 |
|
L |
9 |
2 |
3880 |
◊ |
[CAC]G:201 |
x-1,y,z+1 |
1_456 |
4 |
1 |
242 |
49.3 |
1.4 |
0.319 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
[NA]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
3138 |
49.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.285 |
42 |
|
[NA]J:207 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
3459 |
45.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.285 |
Average: |
47.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.285 |
20 |
43 |
|
D |
5 |
2 |
3330 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
3138 |
47.9 |
-0.9 |
0.453 |
0 |
0 |
0 |
0.000 |
44 |
|
J |
1 |
1 |
3459 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
3926 |
29.2 |
-0.5 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
38.5 |
-0.7 |
0.374 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
[ACT]H:202 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
3926 |
46.6 |
0.7 |
0.816 |
3 |
0 |
0 |
0.013 |
22 |
46 |
|
[NA]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4770 |
46.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.182 |
23 |
47 |
|
L |
7 |
2 |
3880 |
◊ |
E |
x-1,y+1,z |
1_465 |
4 |
1 |
4718 |
45.9 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.006 |
24 |
48 |
|
C |
5 |
2 |
4629 |
f |
[CAC]G:201 |
x,y-1,z+1 |
1_546 |
4 |
1 |
242 |
42.3 |
1.1 |
0.296 |
0 |
0 |
0 |
0.000 |
25 |
49 |
|
F |
3 |
1 |
3459 |
◊ |
[NA]B:206 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
39.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
50 |
|
F |
4 |
2 |
3459 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
4629 |
37.9 |
0.9 |
0.840 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
J |
4 |
1 |
3459 |
◊ |
[NA]A:209 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
37.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[NA]H:210 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3926 |
28.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
K |
3 |
1 |
4777 |
x |
K |
x-1,y,z+1 |
1_456 |
9 |
4 |
4777 |
35.3 |
0.7 |
0.828 |
1 |
0 |
0 |
0.000 |
54 |
|
E |
1 |
1 |
4718 |
x |
E |
x-1,y,z+1 |
1_456 |
1 |
1 |
4718 |
3.5 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
1 |
1 |
4770 |
x |
A |
x-1,y,z+1 |
1_456 |
1 |
1 |
4770 |
2.9 |
0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
Average: |
13.9 |
0.2 |
0.744 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
[NA]J:207 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
3459 |
34.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[NA]J:207 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
3138 |
33.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.019 |
31 |
58 |
|
[CAC]G:201 |
4 |
1 |
242 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
3926 |
33.5 |
0.9 |
0.210 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
J |
3 |
2 |
3459 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4770 |
31.7 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
60 |
|
L |
4 |
2 |
3880 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
4751 |
31.2 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
33 |
61 |
|
[NA]A:209 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
3138 |
31.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.114 |
34 |
62 |
|
[ACT]H:202 |
3 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
4786 |
29.7 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.003 |
35 |
63 |
|
L |
4 |
1 |
3880 |
f |
[NA]H:210 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
28.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.131 |
36 |
64 |
|
I |
2 |
2 |
4751 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
3138 |
28.6 |
1.1 |
0.876 |
0 |
0 |
0 |
0.000 |
37 |
65 |
|
L |
3 |
1 |
3880 |
◊ |
C |
x-1,y+1,z |
1_465 |
2 |
2 |
4629 |
27.0 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
38 |
66 |
|
L |
6 |
2 |
3880 |
◊ |
G |
x-1,y,z+1 |
1_456 |
5 |
2 |
4786 |
26.8 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
39 |
67 |
|
C |
6 |
2 |
4629 |
f |
[ZN]H:203 |
x,y-1,z+1 |
1_546 |
1 |
1 |
98 |
26.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.201 |
40 |
68 |
|
D |
4 |
2 |
3330 |
◊ |
[ZN]G:204 |
x,y-1,z+1 |
1_546 |
1 |
1 |
98 |
24.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.140 |
41 |
69 |
|
[ZN]H:203 |
1 |
1 |
98 |
cf |
[CAC]G:201 |
x,y,z |
1_555 |
3 |
1 |
242 |
24.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.233 |
42 |
70 |
|
C |
4 |
3 |
4629 |
◊ |
H |
x,y-1,z+1 |
1_546 |
4 |
3 |
3926 |
23.2 |
0.4 |
0.755 |
1 |
0 |
0 |
0.001 |
43 |
71 |
|
[ZN]G:204 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4786 |
23.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.081 |
44 |
72 |
|
[ACT]H:202 |
3 |
1 |
182 |
f |
[ZN]H:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.179 |
45 |
73 |
|
[ZN]G:204 |
1 |
1 |
98 |
cf |
[CAC]G:201 |
x,y,z |
1_555 |
3 |
1 |
242 |
21.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.185 |
46 |
74 |
|
L |
4 |
1 |
3880 |
◊ |
[ZN]G:204 |
x-1,y,z+1 |
1_456 |
1 |
1 |
98 |
21.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.086 |
47 |
75 |
|
[NA]K:205 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
3459 |
18.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.062 |
76 |
|
[NA]G:208 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
3880 |
17.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
18.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.062 |
48 |
77 |
|
[ZN]H:203 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3926 |
18.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.144 |
49 |
78 |
|
[ACT]H:202 |
1 |
1 |
182 |
f |
[CAC]G:201 |
x,y,z |
1_555 |
1 |
1 |
242 |
18.3 |
0.4 |
0.775 |
0 |
0 |
0 |
0.000 |
50 |
79 |
|
[CAC]G:201 |
1 |
1 |
242 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4786 |
17.7 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
51 |
80 |
|
I |
2 |
1 |
4751 |
◊ |
[NA]B:206 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
15.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
81 |
|
C |
4 |
2 |
4629 |
◊ |
G |
x,y-1,z+1 |
1_546 |
4 |
4 |
4786 |
14.4 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
53 |
82 |
|
[ZN]G:204 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3926 |
12.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.078 |
54 |
83 |
|
K |
1 |
1 |
4777 |
◊ |
G |
x-1,y,z+1 |
1_456 |
5 |
3 |
4786 |
10.3 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
55 |
84 |
|
L |
2 |
1 |
3880 |
◊ |
I |
x-1,y,z+1 |
1_456 |
1 |
1 |
4751 |
9.3 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
56 |
85 |
|
D |
1 |
1 |
3330 |
◊ |
[ACT]H:202 |
x,y-1,z+1 |
1_546 |
1 |
1 |
182 |
6.2 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
57 |
86 |
|
[NA]G:208 |
1 |
1 |
125 |
◊ |
E |
x-1,y+1,z |
1_465 |
2 |
2 |
4718 |
3.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
87 |
|
E |
1 |
1 |
4718 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
4629 |
2.5 |
0.1 |
0.823 |
0 |
0 |
0 |
0.000 |
59 |
88 |
|
D |
2 |
2 |
3330 |
◊ |
[ZN]H:203 |
x,y-1,z+1 |
1_546 |
1 |
1 |
98 |
1.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
60 |
89 |
|
K |
1 |
1 |
4777 |
◊ |
[NA]H:210 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
90 |
|
L |
1 |
1 |
3880 |
◊ |
[ZN]H:203 |
x-1,y,z+1 |
1_456 |
1 |
1 |
98 |
0.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
62 |
91 |
|
G |
1 |
1 |
4786 |
◊ |
H |
x-1,y,z+1 |
1_456 |
1 |
1 |
3926 |
0.6 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
|