| ## |
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 |
279 |
68 |
10207 |
◊ |
J |
x,y,z |
1_555 |
290 |
74 |
12521 |
2729.5 |
-31.5 |
0.120 |
23 |
8 |
0 |
0.598 |
2 |
|
H |
283 |
70 |
10214 |
◊ |
G |
x,y,z |
1_555 |
287 |
73 |
12532 |
2727.2 |
-31.0 |
0.125 |
25 |
10 |
0 |
0.598 |
3 |
|
B |
278 |
68 |
10214 |
◊ |
A |
x,y,z |
1_555 |
288 |
73 |
12542 |
2720.7 |
-31.0 |
0.125 |
23 |
7 |
0 |
0.598 |
4 |
|
E |
278 |
70 |
10215 |
◊ |
D |
x,y,z |
1_555 |
284 |
73 |
12519 |
2720.5 |
-30.1 |
0.143 |
25 |
9 |
0 |
0.598 |
| Average: |
2724.5 |
-30.9 |
0.128 |
24 |
9 |
0 |
0.598 |
| 2 |
5 |
|
I |
160 |
47 |
14608 |
◊ |
G |
x,y,z |
1_555 |
136 |
39 |
12532 |
1300.3 |
-10.7 |
0.256 |
11 |
6 |
0 |
0.194 |
6 |
|
C |
158 |
45 |
14602 |
◊ |
A |
x,y,z |
1_555 |
139 |
39 |
12542 |
1299.4 |
-11.0 |
0.250 |
12 |
6 |
0 |
0.194 |
7 |
|
L |
160 |
46 |
14609 |
◊ |
J |
x,y,z |
1_555 |
135 |
39 |
12521 |
1299.2 |
-10.7 |
0.256 |
11 |
6 |
0 |
0.194 |
8 |
|
F |
157 |
46 |
14600 |
◊ |
D |
x,y,z |
1_555 |
134 |
39 |
12519 |
1296.0 |
-10.9 |
0.242 |
11 |
6 |
0 |
0.194 |
| Average: |
1298.7 |
-10.8 |
0.251 |
11 |
6 |
0 |
0.194 |
| 3 |
9 |
|
L |
60 |
17 |
14609 |
◊ |
I |
x,y,z |
1_555 |
59 |
17 |
14608 |
619.6 |
-1.7 |
0.375 |
6 |
5 |
0 |
0.000 |
10 |
|
F |
59 |
17 |
14600 |
◊ |
C |
x,y,z |
1_555 |
61 |
18 |
14602 |
612.3 |
-1.4 |
0.398 |
6 |
4 |
0 |
0.000 |
| Average: |
615.9 |
-1.5 |
0.387 |
6 |
5 |
0 |
0.000 |
| 4 |
11 |
|
[GDP]G:3250 |
27 |
1 |
575 |
f |
G |
x,y,z |
1_555 |
62 |
22 |
12532 |
356.5 |
-7.3 |
0.597 |
19 |
0 |
0 |
0.221 |
12 |
|
[GDP]A:1250 |
27 |
1 |
573 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
12542 |
356.1 |
-7.5 |
0.605 |
19 |
0 |
0 |
0.221 |
13 |
|
[GDP]D:2250 |
27 |
1 |
574 |
f |
D |
x,y,z |
1_555 |
61 |
22 |
12519 |
355.5 |
-7.4 |
0.591 |
17 |
0 |
0 |
0.221 |
14 |
|
[GDP]J:4250 |
27 |
1 |
573 |
f |
J |
x,y,z |
1_555 |
58 |
22 |
12521 |
354.4 |
-7.3 |
0.596 |
19 |
0 |
0 |
0.221 |
| Average: |
355.6 |
-7.4 |
0.597 |
19 |
0 |
0 |
0.221 |
| 5 |
15 |
|
F |
30 |
9 |
14600 |
◊ |
I |
x-1,y,z |
1_455 |
32 |
10 |
14608 |
258.8 |
2.4 |
0.734 |
0 |
4 |
0 |
0.000 |
16 |
|
C |
32 |
10 |
14602 |
◊ |
L |
x-1,y,z |
1_455 |
29 |
9 |
14609 |
239.6 |
2.2 |
0.721 |
1 |
3 |
0 |
0.000 |
| Average: |
249.2 |
2.3 |
0.727 |
1 |
4 |
0 |
0.000 |
| 6 |
17 |
|
A |
18 |
7 |
12542 |
◊ |
G |
x-1,y,z-1 |
1_454 |
18 |
7 |
12532 |
189.8 |
0.2 |
0.697 |
4 |
0 |
0 |
0.000 |
18 |
|
J |
18 |
7 |
12521 |
◊ |
D |
x,y-1,z |
1_545 |
18 |
7 |
12519 |
188.9 |
0.3 |
0.708 |
4 |
0 |
0 |
0.000 |
| Average: |
189.4 |
0.2 |
0.702 |
4 |
0 |
0 |
0.000 |
| 7 |
19 |
|
F |
29 |
6 |
14600 |
◊ |
L |
x-1,y+1,z |
1_465 |
21 |
7 |
14609 |
188.8 |
1.8 |
0.692 |
2 |
2 |
0 |
0.000 |
| 8 |
20 |
|
C |
20 |
5 |
14602 |
◊ |
J |
x,y,z |
1_555 |
30 |
9 |
12521 |
188.4 |
-2.2 |
0.309 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
C |
18 |
6 |
14602 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
5 |
12519 |
162.4 |
-1.0 |
0.196 |
1 |
0 |
0 |
0.000 |
| 10 |
22 |
|
L |
14 |
6 |
14609 |
◊ |
H |
x,y,z-1 |
1_554 |
16 |
7 |
10214 |
134.5 |
3.2 |
0.869 |
1 |
1 |
0 |
0.000 |
23 |
|
B |
14 |
7 |
10214 |
◊ |
F |
x,y,z-1 |
1_554 |
13 |
5 |
14600 |
132.5 |
3.3 |
0.882 |
1 |
1 |
0 |
0.000 |
| Average: |
133.5 |
3.2 |
0.875 |
1 |
1 |
0 |
0.000 |
| 11 |
24 |
|
K |
18 |
5 |
10207 |
◊ |
F |
x,y-1,z |
1_545 |
14 |
5 |
14600 |
134.3 |
0.9 |
0.697 |
3 |
2 |
0 |
0.000 |
25 |
|
L |
16 |
5 |
14609 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
5 |
10215 |
132.9 |
0.9 |
0.689 |
4 |
2 |
0 |
0.000 |
26 |
|
C |
14 |
5 |
14602 |
◊ |
H |
x-1,y,z-1 |
1_454 |
15 |
4 |
10214 |
125.1 |
1.1 |
0.710 |
6 |
2 |
0 |
0.000 |
27 |
|
B |
15 |
4 |
10214 |
◊ |
I |
x-1,y,z-1 |
1_454 |
14 |
5 |
14608 |
122.3 |
1.0 |
0.707 |
5 |
2 |
0 |
0.000 |
| Average: |
128.7 |
1.0 |
0.701 |
5 |
2 |
0 |
0.000 |
| 12 |
28 |
|
A |
14 |
6 |
12542 |
◊ |
H |
x-1,y,z-1 |
1_454 |
10 |
5 |
10214 |
122.8 |
-2.1 |
0.232 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
10 |
5 |
10214 |
◊ |
G |
x-1,y,z-1 |
1_454 |
14 |
6 |
12532 |
114.4 |
-2.0 |
0.247 |
0 |
0 |
0 |
0.000 |
30 |
|
J |
11 |
5 |
12521 |
◊ |
E |
x,y-1,z |
1_545 |
9 |
5 |
10215 |
102.3 |
-2.0 |
0.237 |
0 |
0 |
0 |
0.000 |
31 |
|
K |
9 |
5 |
10207 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
5 |
12519 |
98.8 |
-1.9 |
0.246 |
0 |
0 |
0 |
0.000 |
| Average: |
109.6 |
-2.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 13 |
32 |
|
L |
15 |
5 |
14609 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
14600 |
111.2 |
1.4 |
0.731 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[AF3]G:3252 |
4 |
1 |
190 |
f |
G |
x,y,z |
1_555 |
20 |
11 |
12532 |
84.4 |
1.4 |
0.699 |
5 |
0 |
0 |
0.011 |
| 15 |
34 |
|
[AF3]A:1252 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
12542 |
84.2 |
1.4 |
0.700 |
6 |
0 |
0 |
0.018 |
| 16 |
35 |
|
[AF3]J:4252 |
4 |
1 |
189 |
f |
J |
x,y,z |
1_555 |
21 |
13 |
12521 |
83.6 |
1.4 |
0.644 |
6 |
0 |
0 |
0.017 |
| 17 |
36 |
|
[AF3]D:2252 |
4 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
12519 |
83.5 |
1.4 |
0.665 |
6 |
0 |
0 |
0.018 |
| 18 |
37 |
|
J |
9 |
4 |
12521 |
◊ |
I |
x,y-1,z |
1_545 |
15 |
5 |
14608 |
69.9 |
-0.8 |
0.395 |
0 |
0 |
0 |
0.000 |
| 19 |
38 |
|
C |
6 |
2 |
14602 |
◊ |
I |
x-1,y,z |
1_455 |
7 |
2 |
14608 |
57.7 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
K |
6 |
2 |
10207 |
◊ |
H |
x,y-1,z |
1_545 |
5 |
1 |
10214 |
45.8 |
0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
[AF3]J:4252 |
4 |
1 |
189 |
f |
[GDP]J:4250 |
x,y,z |
1_555 |
5 |
1 |
573 |
36.7 |
-1.7 |
0.310 |
1 |
0 |
0 |
0.029 |
| 22 |
41 |
|
[AF3]D:2252 |
4 |
1 |
188 |
f |
[GDP]D:2250 |
x,y,z |
1_555 |
5 |
1 |
574 |
36.5 |
-1.7 |
0.333 |
2 |
0 |
0 |
0.036 |
| 23 |
42 |
|
[MG]A:1251 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
12542 |
36.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.071 |
43 |
|
[MG]G:3251 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
16 |
11 |
12532 |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.071 |
44 |
|
[MG]J:4251 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
16 |
11 |
12521 |
35.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.071 |
45 |
|
[MG]D:2251 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
12519 |
35.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.071 |
| 24 |
46 |
|
[GDP]G:3250 |
4 |
1 |
575 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
14608 |
35.6 |
0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
47 |
|
[GDP]D:2250 |
4 |
1 |
574 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
14600 |
35.1 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
48 |
|
[GDP]J:4250 |
4 |
1 |
573 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
14609 |
34.5 |
0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
49 |
|
[GDP]A:1250 |
4 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14602 |
34.4 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
| Average: |
34.9 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[AF3]A:1252 |
4 |
1 |
190 |
f |
[GDP]A:1250 |
x,y,z |
1_555 |
5 |
1 |
573 |
35.6 |
-1.7 |
0.311 |
0 |
0 |
0 |
0.024 |
| 26 |
51 |
|
[AF3]G:3252 |
4 |
1 |
190 |
f |
[GDP]G:3250 |
x,y,z |
1_555 |
5 |
1 |
575 |
35.3 |
-1.6 |
0.308 |
0 |
0 |
0 |
0.022 |
| 27 |
52 |
|
[GDP]G:3250 |
4 |
1 |
575 |
f |
[MG]G:3251 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.051 |
53 |
|
[GDP]D:2250 |
4 |
1 |
574 |
f |
[MG]D:2251 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.051 |
54 |
|
[GDP]J:4250 |
4 |
1 |
573 |
f |
[MG]J:4251 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.051 |
55 |
|
[GDP]A:1250 |
4 |
1 |
573 |
f |
[MG]A:1251 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
26.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 28 |
56 |
|
B |
6 |
2 |
10214 |
◊ |
I |
x-1,y+1,z-1 |
1_464 |
3 |
2 |
14608 |
24.1 |
1.0 |
0.830 |
0 |
0 |
0 |
0.000 |
| 29 |
57 |
|
[AF3]D:2252 |
3 |
1 |
188 |
f |
[MG]D:2251 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
58 |
|
[AF3]J:4252 |
3 |
1 |
189 |
f |
[MG]J:4251 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.032 |
59 |
|
[AF3]A:1252 |
3 |
1 |
190 |
f |
[MG]A:1251 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
60 |
|
[AF3]G:3252 |
3 |
1 |
190 |
f |
[MG]G:3251 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
22.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| 30 |
61 |
|
[AF3]G:3252 |
2 |
1 |
190 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
14608 |
15.7 |
0.0 |
0.275 |
0 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[AF3]A:1252 |
2 |
1 |
190 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
14602 |
13.1 |
0.1 |
0.360 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
[AF3]D:2252 |
1 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
14600 |
12.8 |
0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
[AF3]J:4252 |
2 |
1 |
189 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
14609 |
10.8 |
0.0 |
0.354 |
0 |
0 |
0 |
0.000 |
| 34 |
65 |
|
D |
1 |
1 |
12519 |
◊ |
I |
x-1,y+1,z |
1_465 |
2 |
1 |
14608 |
8.0 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
| 35 |
66 |
|
L |
1 |
1 |
14609 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10215 |
6.5 |
0.2 |
0.793 |
0 |
0 |
0 |
0.000 |
| 36 |
67 |
|
B |
1 |
1 |
10214 |
◊ |
H |
x-1,y,z-1 |
1_454 |
1 |
1 |
10214 |
3.7 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
|