| ## |
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 |
|
J |
139 |
35 |
10485 |
◊ |
I |
x,y,z |
1_555 |
180 |
48 |
10392 |
1559.0 |
-16.4 |
0.245 |
15 |
4 |
0 |
0.740 |
2 |
|
M |
135 |
35 |
10398 |
◊ |
L |
x,y,z |
1_555 |
178 |
47 |
10483 |
1541.2 |
-15.1 |
0.298 |
15 |
4 |
0 |
0.740 |
3 |
|
L |
142 |
39 |
10483 |
◊ |
K |
x,y,z |
1_555 |
185 |
47 |
10514 |
1540.2 |
-16.4 |
0.268 |
15 |
4 |
0 |
0.740 |
4 |
|
I |
139 |
36 |
10392 |
◊ |
H |
x,y,z |
1_555 |
177 |
45 |
10413 |
1524.0 |
-15.8 |
0.268 |
14 |
4 |
0 |
0.740 |
5 |
|
N |
138 |
37 |
10502 |
◊ |
M |
x,y,z |
1_555 |
187 |
48 |
10398 |
1522.3 |
-16.6 |
0.232 |
14 |
3 |
0 |
0.740 |
6 |
|
K |
139 |
38 |
10514 |
◊ |
J |
x,y,z |
1_555 |
179 |
47 |
10485 |
1502.7 |
-14.7 |
0.330 |
17 |
4 |
0 |
0.740 |
7 |
|
N |
176 |
46 |
10502 |
◊ |
H |
x,y,z |
1_555 |
133 |
37 |
10413 |
1501.7 |
-14.8 |
0.291 |
15 |
4 |
0 |
0.740 |
| Average: |
1527.3 |
-15.7 |
0.276 |
15 |
4 |
0 |
0.740 |
| 2 |
8 |
|
D |
150 |
35 |
10365 |
◊ |
C |
x,y,z |
1_555 |
155 |
36 |
10337 |
1499.0 |
-15.3 |
0.121 |
20 |
8 |
0 |
0.722 |
9 |
|
G |
155 |
36 |
10331 |
◊ |
A |
x,y,z |
1_555 |
147 |
33 |
10385 |
1483.3 |
-15.1 |
0.124 |
21 |
8 |
0 |
0.722 |
10 |
|
E |
148 |
35 |
10342 |
◊ |
D |
x,y,z |
1_555 |
159 |
37 |
10365 |
1480.1 |
-14.9 |
0.137 |
21 |
9 |
0 |
0.722 |
11 |
|
B |
149 |
33 |
10324 |
◊ |
A |
x,y,z |
1_555 |
153 |
36 |
10385 |
1471.1 |
-14.4 |
0.142 |
22 |
9 |
0 |
0.722 |
12 |
|
F |
144 |
33 |
10334 |
◊ |
E |
x,y,z |
1_555 |
152 |
36 |
10342 |
1461.9 |
-14.4 |
0.135 |
21 |
8 |
0 |
0.722 |
13 |
|
G |
146 |
34 |
10331 |
◊ |
F |
x,y,z |
1_555 |
154 |
36 |
10334 |
1457.1 |
-14.7 |
0.131 |
20 |
8 |
0 |
0.722 |
14 |
|
C |
146 |
33 |
10337 |
◊ |
B |
x,y,z |
1_555 |
157 |
36 |
10324 |
1454.3 |
-14.5 |
0.142 |
23 |
8 |
0 |
0.722 |
| Average: |
1472.4 |
-14.8 |
0.133 |
21 |
8 |
0 |
0.722 |
| 3 |
15 |
|
J |
88 |
23 |
10485 |
◊ |
F |
x,y,z |
1_555 |
83 |
23 |
10334 |
796.3 |
-5.0 |
0.492 |
20 |
1 |
0 |
0.476 |
16 |
|
I |
86 |
23 |
10392 |
◊ |
G |
x,y,z |
1_555 |
84 |
23 |
10331 |
788.7 |
-4.9 |
0.501 |
21 |
1 |
0 |
0.476 |
17 |
|
L |
86 |
23 |
10483 |
◊ |
D |
x,y,z |
1_555 |
82 |
22 |
10365 |
788.3 |
-5.1 |
0.491 |
20 |
1 |
0 |
0.476 |
18 |
|
K |
88 |
23 |
10514 |
◊ |
E |
x,y,z |
1_555 |
83 |
23 |
10342 |
788.1 |
-4.8 |
0.507 |
20 |
0 |
0 |
0.476 |
19 |
|
M |
85 |
23 |
10398 |
◊ |
C |
x,y,z |
1_555 |
83 |
23 |
10337 |
787.7 |
-4.8 |
0.506 |
19 |
0 |
0 |
0.476 |
20 |
|
N |
91 |
23 |
10502 |
◊ |
B |
x,y,z |
1_555 |
83 |
22 |
10324 |
785.6 |
-4.9 |
0.507 |
19 |
0 |
0 |
0.476 |
21 |
|
H |
87 |
23 |
10413 |
◊ |
A |
x,y,z |
1_555 |
84 |
24 |
10385 |
783.0 |
-4.9 |
0.498 |
18 |
0 |
0 |
0.476 |
| Average: |
788.3 |
-4.9 |
0.500 |
20 |
0 |
0 |
0.476 |
| 4 |
22 |
|
M |
31 |
10 |
10398 |
◊ |
I |
x-1,y,z |
1_455 |
23 |
6 |
10392 |
237.3 |
-1.0 |
0.626 |
2 |
0 |
0 |
0.000 |
| 5 |
23 |
|
K |
30 |
7 |
10514 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
10485 |
212.0 |
0.3 |
0.750 |
3 |
3 |
0 |
0.000 |
| 6 |
24 |
|
D |
25 |
7 |
10365 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
10 |
10385 |
208.4 |
1.1 |
0.746 |
1 |
2 |
0 |
0.000 |
| 7 |
25 |
|
[MLI]H:301 |
7 |
1 |
225 |
f |
H |
x,y,z |
1_555 |
35 |
13 |
10413 |
164.5 |
2.9 |
0.567 |
1 |
0 |
0 |
0.000 |
| 8 |
26 |
|
B |
23 |
9 |
10324 |
◊ |
G |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
7 |
10331 |
161.0 |
-0.1 |
0.618 |
2 |
0 |
0 |
0.000 |
| 9 |
27 |
|
[MLI]L:301 |
7 |
1 |
224 |
f |
L |
x,y,z |
1_555 |
35 |
14 |
10483 |
160.1 |
3.0 |
0.583 |
2 |
0 |
0 |
0.000 |
| 10 |
28 |
|
[MLI]I:301 |
7 |
1 |
222 |
f |
I |
x,y,z |
1_555 |
34 |
13 |
10392 |
158.2 |
3.0 |
0.521 |
2 |
0 |
0 |
0.000 |
29 |
|
[MLI]K:301 |
7 |
1 |
225 |
f |
K |
x,y,z |
1_555 |
33 |
13 |
10514 |
156.9 |
3.0 |
0.519 |
3 |
0 |
0 |
0.000 |
| Average: |
157.6 |
3.0 |
0.520 |
3 |
0 |
0 |
0.000 |
| 11 |
30 |
|
[MLI]N:301 |
7 |
1 |
224 |
f |
N |
x,y,z |
1_555 |
32 |
12 |
10502 |
155.3 |
2.8 |
0.432 |
2 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[MLI]J:301 |
7 |
1 |
223 |
f |
J |
x,y,z |
1_555 |
32 |
13 |
10485 |
154.0 |
3.0 |
0.463 |
1 |
0 |
0 |
0.000 |
| 13 |
32 |
|
[MLI]M:301 |
7 |
1 |
222 |
f |
M |
x,y,z |
1_555 |
33 |
12 |
10398 |
152.8 |
2.8 |
0.460 |
1 |
0 |
0 |
0.000 |
| 14 |
33 |
|
C |
21 |
8 |
10337 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
6 |
10342 |
150.8 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
| 15 |
34 |
|
M |
12 |
3 |
10398 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
10365 |
111.3 |
3.0 |
0.946 |
4 |
4 |
0 |
0.000 |
35 |
|
J |
11 |
3 |
10485 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
10331 |
111.1 |
3.1 |
0.949 |
4 |
4 |
0 |
0.000 |
36 |
|
K |
11 |
3 |
10514 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
10334 |
108.8 |
3.0 |
0.946 |
4 |
4 |
0 |
0.000 |
37 |
|
L |
12 |
3 |
10483 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
10342 |
108.1 |
3.0 |
0.943 |
4 |
4 |
0 |
0.000 |
38 |
|
H |
11 |
3 |
10413 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
10324 |
107.7 |
3.0 |
0.943 |
4 |
4 |
0 |
0.000 |
39 |
|
N |
12 |
3 |
10502 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
10337 |
106.9 |
2.9 |
0.941 |
4 |
4 |
0 |
0.000 |
40 |
|
I |
11 |
3 |
10392 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10385 |
106.2 |
2.9 |
0.943 |
4 |
4 |
0 |
0.000 |
| Average: |
108.6 |
3.0 |
0.945 |
4 |
4 |
0 |
0.000 |
| 16 |
41 |
|
[NA]N:302 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
12 |
8 |
10502 |
68.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.368 |
42 |
|
[NA]M:302 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
12 |
8 |
10398 |
68.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.368 |
43 |
|
[NA]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
8 |
10392 |
68.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.368 |
44 |
|
[NA]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
8 |
10413 |
68.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.368 |
45 |
|
[NA]L:302 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
12 |
8 |
10483 |
67.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.368 |
46 |
|
[NA]K:302 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
8 |
10514 |
67.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.368 |
47 |
|
[NA]J:302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
8 |
10485 |
66.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.368 |
| Average: |
68.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.368 |
| 17 |
48 |
|
L |
8 |
2 |
10483 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
11 |
4 |
10514 |
66.8 |
0.9 |
0.780 |
1 |
1 |
0 |
0.000 |
| 18 |
49 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
10365 |
65.7 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.307 |
50 |
|
[NA]G:301 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
10331 |
64.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.307 |
51 |
|
[NA]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
10342 |
62.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.307 |
52 |
|
[NA]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
10334 |
60.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.307 |
53 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10324 |
57.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.307 |
54 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10385 |
55.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.307 |
| Average: |
61.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.307 |
| 19 |
55 |
|
[NA]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
10337 |
65.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.313 |
| 20 |
56 |
|
L |
14 |
4 |
10483 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
10485 |
52.9 |
0.8 |
0.763 |
1 |
3 |
0 |
0.000 |
| 21 |
57 |
|
M |
6 |
2 |
10398 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10324 |
30.7 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
58 |
|
H |
6 |
2 |
10413 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
10331 |
27.0 |
0.5 |
0.781 |
0 |
0 |
0 |
0.000 |
59 |
|
K |
6 |
2 |
10514 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
10365 |
26.8 |
0.5 |
0.777 |
0 |
0 |
0 |
0.000 |
60 |
|
N |
6 |
2 |
10502 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10385 |
24.7 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
61 |
|
L |
6 |
2 |
10483 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10337 |
24.1 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
62 |
|
J |
6 |
2 |
10485 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
10342 |
23.9 |
0.5 |
0.780 |
0 |
0 |
0 |
0.000 |
63 |
|
I |
5 |
2 |
10392 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
10334 |
21.4 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
25.5 |
0.5 |
0.775 |
0 |
0 |
0 |
0.000 |
| 22 |
64 |
|
K |
5 |
3 |
10514 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
10331 |
28.5 |
1.0 |
0.845 |
1 |
1 |
0 |
0.000 |
| 23 |
65 |
|
L |
2 |
1 |
10483 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
10485 |
28.2 |
-0.3 |
0.348 |
0 |
0 |
0 |
0.003 |
66 |
|
N |
3 |
1 |
10502 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
10483 |
27.3 |
-0.3 |
0.424 |
0 |
0 |
0 |
0.003 |
67 |
|
K |
3 |
1 |
10514 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
10392 |
22.2 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.003 |
| Average: |
25.9 |
-0.2 |
0.420 |
0 |
0 |
0 |
0.003 |
| 24 |
68 |
|
N |
2 |
1 |
10502 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
10392 |
27.9 |
0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
| 25 |
69 |
|
C |
2 |
2 |
10337 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
10365 |
27.8 |
1.2 |
0.798 |
0 |
0 |
0 |
0.000 |
| 26 |
70 |
|
L |
3 |
1 |
10483 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
10331 |
27.5 |
0.0 |
0.597 |
1 |
0 |
0 |
0.000 |
| 27 |
71 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10324 |
24.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
72 |
|
[NA]B:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10337 |
23.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
73 |
|
[NA]F:301 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
10331 |
19.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
74 |
|
[NA]E:301 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
10334 |
14.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.034 |
75 |
|
[NA]G:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10385 |
7.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.034 |
76 |
|
[NA]D:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10342 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.034 |
77 |
|
[NA]C:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10365 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
13.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| 28 |
78 |
|
B |
1 |
1 |
10324 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
10385 |
16.4 |
0.8 |
0.909 |
1 |
0 |
0 |
0.000 |
| 29 |
79 |
|
E |
4 |
1 |
10342 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10514 |
14.1 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 30 |
80 |
|
N |
3 |
2 |
10502 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
10365 |
11.4 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 31 |
81 |
|
L |
3 |
1 |
10483 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10334 |
5.3 |
-0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
| 32 |
82 |
|
[NA]J:302 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
10514 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
83 |
|
[NA]N:302 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10413 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|