## |
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 |
|
C |
239 |
59 |
14257 |
◊ |
C |
-x+2,-x+y+1,-z-1/3 |
6_764 |
235 |
58 |
14257 |
2238.2 |
-15.8 |
0.600 |
38 |
16 |
0 |
0.419 |
2 |
|
H |
232 |
60 |
14564 |
◊ |
E |
-y,x-y-1,z-1/3 |
2_544 |
236 |
60 |
14245 |
2235.1 |
-14.6 |
0.554 |
40 |
16 |
0 |
0.419 |
3 |
|
G |
234 |
59 |
14480 |
◊ |
F |
-y,x-y-1,z-1/3 |
2_544 |
233 |
59 |
14489 |
2227.7 |
-14.2 |
0.576 |
34 |
16 |
0 |
0.419 |
4 |
|
D |
226 |
60 |
14404 |
◊ |
A |
-x+2,-x+y+1,-z-1/3 |
6_764 |
227 |
58 |
14358 |
2182.7 |
-13.0 |
0.693 |
35 |
16 |
0 |
0.419 |
5 |
|
I |
222 |
59 |
14418 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
228 |
61 |
14357 |
2111.7 |
-19.1 |
0.394 |
31 |
12 |
0 |
0.419 |
Average: |
2199.1 |
-15.3 |
0.563 |
36 |
15 |
0 |
0.419 |
2 |
6 |
|
H |
179 |
41 |
14564 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
176 |
41 |
14357 |
1669.3 |
-24.5 |
0.057 |
17 |
0 |
0 |
0.425 |
7 |
|
G |
178 |
41 |
14480 |
◊ |
E |
-y,x-y-1,z-1/3 |
2_544 |
176 |
42 |
14245 |
1661.7 |
-24.3 |
0.069 |
17 |
0 |
0 |
0.425 |
8 |
|
C |
176 |
41 |
14257 |
◊ |
A |
-x+2,-x+y+1,-z-1/3 |
6_764 |
174 |
41 |
14358 |
1659.9 |
-24.4 |
0.087 |
17 |
0 |
0 |
0.425 |
9 |
|
I |
180 |
43 |
14418 |
◊ |
F |
-y,x-y-1,z-1/3 |
2_544 |
175 |
42 |
14489 |
1653.5 |
-24.5 |
0.066 |
18 |
0 |
0 |
0.425 |
10 |
|
D |
171 |
41 |
14404 |
◊ |
D |
-x+2,-x+y+1,-z-1/3 |
6_764 |
171 |
41 |
14404 |
1636.2 |
-25.3 |
0.055 |
16 |
0 |
0 |
0.425 |
Average: |
1656.1 |
-24.6 |
0.067 |
17 |
0 |
0 |
0.425 |
3 |
11 |
|
I |
161 |
42 |
14418 |
◊ |
G |
x,y,z |
1_555 |
125 |
29 |
14480 |
1308.3 |
-10.7 |
0.410 |
19 |
9 |
0 |
0.497 |
12 |
|
H |
128 |
29 |
14564 |
◊ |
G |
x,y,z |
1_555 |
157 |
41 |
14480 |
1302.9 |
-10.6 |
0.323 |
19 |
9 |
0 |
0.497 |
13 |
|
F |
154 |
41 |
14489 |
◊ |
B |
x,y,z |
1_555 |
128 |
29 |
14357 |
1287.5 |
-11.1 |
0.352 |
19 |
9 |
0 |
0.497 |
14 |
|
E |
123 |
29 |
14245 |
◊ |
B |
x,y,z |
1_555 |
149 |
41 |
14357 |
1255.5 |
-12.4 |
0.337 |
18 |
9 |
0 |
0.497 |
15 |
|
D |
125 |
28 |
14404 |
◊ |
C |
x,y,z |
1_555 |
148 |
40 |
14257 |
1254.2 |
-12.2 |
0.340 |
19 |
9 |
0 |
0.497 |
16 |
|
I |
124 |
28 |
14418 |
◊ |
H |
x,y,z |
1_555 |
147 |
40 |
14564 |
1252.7 |
-12.5 |
0.256 |
19 |
9 |
0 |
0.497 |
17 |
|
C |
125 |
29 |
14257 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
14358 |
1250.1 |
-11.8 |
0.396 |
19 |
9 |
0 |
0.497 |
18 |
|
F |
121 |
28 |
14489 |
◊ |
E |
x,y,z |
1_555 |
145 |
40 |
14245 |
1247.6 |
-12.0 |
0.322 |
19 |
9 |
0 |
0.497 |
19 |
|
D |
147 |
40 |
14404 |
◊ |
A |
x,y,z |
1_555 |
124 |
28 |
14358 |
1243.6 |
-12.0 |
0.355 |
19 |
9 |
0 |
0.497 |
Average: |
1266.9 |
-11.7 |
0.343 |
19 |
9 |
0 |
0.497 |
4 |
20 |
|
D |
67 |
22 |
14404 |
◊ |
D |
x-y,-y,-z-2/3 |
5_554 |
67 |
22 |
14404 |
631.0 |
2.8 |
0.939 |
4 |
4 |
0 |
0.000 |
21 |
|
I |
62 |
19 |
14418 |
◊ |
F |
x,y,z |
1_555 |
59 |
20 |
14489 |
560.2 |
2.7 |
0.927 |
3 |
4 |
0 |
0.000 |
Average: |
595.6 |
2.8 |
0.933 |
4 |
4 |
0 |
0.000 |
5 |
22 |
|
[1HA]C:301 |
48 |
1 |
1086 |
f |
C |
x,y,z |
1_555 |
89 |
32 |
14257 |
612.8 |
-3.1 |
0.527 |
11 |
0 |
0 |
0.240 |
23 |
|
[1HA]B:301 |
49 |
1 |
1085 |
f |
B |
x,y,z |
1_555 |
90 |
33 |
14357 |
612.7 |
-3.1 |
0.500 |
13 |
0 |
0 |
0.240 |
24 |
|
[1HA]I:301 |
49 |
1 |
1082 |
f |
I |
x,y,z |
1_555 |
86 |
30 |
14418 |
607.0 |
-3.4 |
0.459 |
12 |
0 |
0 |
0.240 |
25 |
|
[1HA]E:301 |
49 |
1 |
1074 |
f |
E |
x,y,z |
1_555 |
88 |
31 |
14245 |
605.6 |
-2.9 |
0.489 |
13 |
0 |
0 |
0.240 |
26 |
|
[1HA]F:301 |
49 |
1 |
1084 |
f |
F |
x,y,z |
1_555 |
87 |
31 |
14489 |
603.8 |
-3.8 |
0.473 |
13 |
0 |
0 |
0.240 |
27 |
|
[1HA]H:301 |
49 |
1 |
1077 |
f |
H |
x,y,z |
1_555 |
86 |
30 |
14564 |
601.4 |
-3.3 |
0.449 |
14 |
0 |
0 |
0.240 |
28 |
|
[1HA]A:301 |
47 |
1 |
1089 |
f |
A |
x,y,z |
1_555 |
84 |
30 |
14358 |
601.0 |
-4.2 |
0.465 |
13 |
0 |
0 |
0.240 |
29 |
|
[1HA]G:301 |
48 |
1 |
1079 |
f |
G |
x,y,z |
1_555 |
86 |
31 |
14480 |
599.3 |
-3.5 |
0.441 |
12 |
0 |
0 |
0.240 |
30 |
|
[1HA]D:301 |
50 |
1 |
1076 |
f |
D |
x,y,z |
1_555 |
85 |
30 |
14404 |
595.1 |
-3.5 |
0.497 |
12 |
0 |
0 |
0.240 |
Average: |
604.3 |
-3.4 |
0.478 |
13 |
0 |
0 |
0.240 |
6 |
31 |
|
H |
35 |
13 |
14564 |
◊ |
F |
x,y,z |
1_555 |
35 |
12 |
14489 |
313.0 |
2.4 |
0.854 |
5 |
2 |
0 |
0.000 |
32 |
|
D |
36 |
12 |
14404 |
◊ |
C |
x-y,-y,-z-2/3 |
5_554 |
39 |
16 |
14257 |
287.5 |
0.7 |
0.836 |
3 |
0 |
0 |
0.000 |
33 |
|
I |
28 |
11 |
14418 |
◊ |
E |
x,y,z |
1_555 |
30 |
12 |
14245 |
222.9 |
-0.1 |
0.751 |
3 |
0 |
0 |
0.000 |
Average: |
274.5 |
1.0 |
0.813 |
4 |
1 |
0 |
0.000 |
7 |
34 |
|
H |
39 |
14 |
14564 |
◊ |
G |
x-y-1,-y-1,-z-2/3 |
5_444 |
33 |
14 |
14480 |
294.5 |
1.4 |
0.838 |
3 |
3 |
0 |
0.000 |
8 |
35 |
|
E |
25 |
9 |
14245 |
◊ |
D |
-x+2,-x+y+1,-z-1/3 |
6_764 |
23 |
8 |
14404 |
225.6 |
-0.5 |
0.706 |
1 |
1 |
0 |
0.000 |
9 |
36 |
|
[1HA]D:301 |
33 |
1 |
1076 |
◊ |
A |
-x+2,-x+y+1,-z-1/3 |
6_764 |
20 |
6 |
14358 |
204.8 |
-2.4 |
0.404 |
2 |
0 |
0 |
0.080 |
37 |
|
G |
19 |
6 |
14480 |
◊ |
[1HA]F:301 |
-y,x-y-1,z-1/3 |
2_544 |
35 |
1 |
1084 |
204.2 |
-2.2 |
0.392 |
2 |
0 |
0 |
0.080 |
38 |
|
[1HA]H:301 |
32 |
1 |
1077 |
◊ |
E |
-y,x-y-1,z-1/3 |
2_544 |
18 |
6 |
14245 |
201.5 |
-2.1 |
0.359 |
1 |
0 |
0 |
0.080 |
39 |
|
[1HA]I:301 |
33 |
1 |
1082 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
17 |
6 |
14357 |
200.6 |
-1.7 |
0.422 |
1 |
0 |
0 |
0.080 |
40 |
|
H |
18 |
6 |
14564 |
◊ |
[1HA]E:301 |
-y,x-y-1,z-1/3 |
2_544 |
31 |
1 |
1074 |
200.1 |
-2.1 |
0.355 |
1 |
0 |
0 |
0.080 |
41 |
|
[1HA]G:301 |
34 |
1 |
1079 |
◊ |
F |
-y,x-y-1,z-1/3 |
2_544 |
19 |
6 |
14489 |
198.5 |
-2.4 |
0.322 |
1 |
0 |
0 |
0.080 |
42 |
|
[1HA]A:301 |
33 |
1 |
1089 |
◊ |
D |
-x+2,-x+y+1,-z-1/3 |
6_764 |
18 |
6 |
14404 |
198.3 |
-2.4 |
0.368 |
2 |
0 |
0 |
0.080 |
43 |
|
I |
18 |
6 |
14418 |
◊ |
[1HA]B:301 |
-y,x-y-1,z-1/3 |
2_544 |
37 |
1 |
1085 |
195.8 |
-2.0 |
0.387 |
2 |
0 |
0 |
0.080 |
44 |
|
[1HA]C:301 |
31 |
1 |
1086 |
◊ |
C |
-x+2,-x+y+1,-z-1/3 |
6_764 |
17 |
6 |
14257 |
159.7 |
-3.1 |
0.232 |
0 |
0 |
0 |
0.080 |
Average: |
196.0 |
-2.3 |
0.360 |
1 |
0 |
0 |
0.080 |
10 |
45 |
|
C |
23 |
7 |
14257 |
◊ |
F |
-x+1,-x+y,-z-1/3 |
6_654 |
19 |
5 |
14489 |
184.9 |
0.1 |
0.752 |
1 |
1 |
0 |
0.003 |
11 |
46 |
|
B |
8 |
3 |
14357 |
◊ |
I |
-x+1,-x+y,-z-1/3 |
6_654 |
14 |
6 |
14418 |
82.6 |
0.8 |
0.799 |
1 |
2 |
0 |
0.000 |
12 |
47 |
|
E |
9 |
2 |
14245 |
◊ |
C |
-x+2,-x+y+1,-z-1/3 |
6_764 |
11 |
5 |
14257 |
78.0 |
-1.1 |
0.472 |
0 |
0 |
0 |
0.000 |
13 |
48 |
|
B |
10 |
4 |
14357 |
◊ |
A |
-x+1,-x+y,-z-1/3 |
6_654 |
9 |
4 |
14358 |
72.5 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
14 |
49 |
|
G |
9 |
3 |
14480 |
◊ |
D |
x-1,y-1,z |
1_445 |
7 |
2 |
14404 |
68.5 |
0.6 |
0.779 |
1 |
2 |
0 |
0.000 |
15 |
50 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
11 |
14564 |
56.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.254 |
51 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
9 |
14480 |
56.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.254 |
52 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
14358 |
56.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.254 |
53 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
11 |
14489 |
55.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.254 |
54 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
9 |
14245 |
55.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.254 |
55 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
14257 |
55.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.254 |
56 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
10 |
14357 |
55.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.254 |
57 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
9 |
14418 |
54.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.254 |
58 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
9 |
14404 |
54.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.254 |
Average: |
55.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.254 |
16 |
59 |
|
[1HA]C:301 |
7 |
1 |
1086 |
◊ |
F |
-x+1,-x+y,-z-1/3 |
6_654 |
10 |
5 |
14489 |
54.0 |
0.5 |
0.678 |
0 |
0 |
0 |
0.000 |
17 |
60 |
|
A |
4 |
1 |
14358 |
◊ |
A |
y+1,x-1,-z |
4_645 |
4 |
1 |
14358 |
37.0 |
-0.6 |
0.404 |
0 |
0 |
0 |
0.000 |
18 |
61 |
|
G |
10 |
3 |
14480 |
◊ |
C |
x-y-1,-y-1,-z-2/3 |
5_444 |
4 |
2 |
14257 |
34.1 |
-0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
19 |
62 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
[1HA]C:301 |
x,y,z |
1_555 |
5 |
1 |
1086 |
33.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.099 |
63 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
[1HA]F:301 |
x,y,z |
1_555 |
5 |
1 |
1084 |
32.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
64 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
[1HA]I:301 |
x,y,z |
1_555 |
4 |
1 |
1082 |
31.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
65 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
[1HA]E:301 |
x,y,z |
1_555 |
4 |
1 |
1074 |
30.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
66 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
[1HA]B:301 |
x,y,z |
1_555 |
4 |
1 |
1085 |
30.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.099 |
67 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
[1HA]D:301 |
x,y,z |
1_555 |
4 |
1 |
1076 |
30.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
68 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
[1HA]H:301 |
x,y,z |
1_555 |
4 |
1 |
1077 |
29.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
69 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
[1HA]A:301 |
x,y,z |
1_555 |
6 |
1 |
1089 |
29.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.099 |
70 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
[1HA]G:301 |
x,y,z |
1_555 |
4 |
1 |
1079 |
28.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
30.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
20 |
71 |
|
H |
7 |
2 |
14564 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
14257 |
32.7 |
-0.8 |
0.243 |
0 |
0 |
0 |
0.000 |
21 |
72 |
|
I |
7 |
3 |
14418 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14358 |
31.2 |
-0.7 |
0.406 |
0 |
0 |
0 |
0.000 |
22 |
73 |
|
H |
4 |
2 |
14564 |
◊ |
[1HA]G:301 |
x-y-1,-y-1,-z-2/3 |
5_444 |
3 |
1 |
1079 |
30.6 |
0.3 |
0.634 |
0 |
0 |
0 |
0.000 |
23 |
74 |
|
E |
3 |
1 |
14245 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14358 |
29.3 |
-0.4 |
0.430 |
0 |
0 |
0 |
0.000 |
24 |
75 |
|
B |
3 |
2 |
14357 |
◊ |
[1HA]A:301 |
-x+1,-x+y,-z-1/3 |
6_654 |
4 |
1 |
1089 |
17.4 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
25 |
76 |
|
H |
2 |
1 |
14564 |
◊ |
F |
-x,-x+y,-z-1/3 |
6_554 |
1 |
1 |
14489 |
5.9 |
-0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
26 |
77 |
|
[1HA]H:301 |
1 |
1 |
1077 |
◊ |
G |
x-y-1,-y-1,-z-2/3 |
5_444 |
2 |
1 |
14480 |
5.3 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
27 |
78 |
|
[1HA]D:301 |
1 |
1 |
1076 |
◊ |
[1HA]D:301 |
x-y,-y,-z-2/3 |
5_554 |
1 |
1 |
1076 |
4.8 |
0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
28 |
79 |
|
[1HA]D:301 |
1 |
1 |
1076 |
◊ |
D |
x-y,-y,-z-2/3 |
5_554 |
1 |
1 |
14404 |
1.3 |
0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
|