## |
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 |
|
F |
189 |
58 |
23258 |
◊ |
A |
x,y,z |
1_555 |
177 |
49 |
23351 |
1741.9 |
-18.6 |
0.095 |
19 |
2 |
0 |
0.824 |
2 |
|
D |
179 |
49 |
23142 |
◊ |
C |
x,y,z |
1_555 |
199 |
62 |
23633 |
1730.8 |
-15.1 |
0.178 |
18 |
0 |
0 |
0.824 |
3 |
|
H |
178 |
48 |
23068 |
◊ |
G |
x,y,z |
1_555 |
195 |
57 |
23139 |
1723.3 |
-16.7 |
0.147 |
20 |
0 |
0 |
0.824 |
4 |
|
L |
204 |
58 |
23419 |
◊ |
G |
x,y,z |
1_555 |
165 |
50 |
23139 |
1712.9 |
-15.5 |
0.182 |
19 |
0 |
0 |
0.824 |
5 |
|
K |
189 |
61 |
23245 |
◊ |
I |
x,y,z |
1_555 |
177 |
49 |
23344 |
1698.1 |
-17.4 |
0.115 |
21 |
0 |
0 |
0.824 |
6 |
|
E |
171 |
46 |
23106 |
◊ |
D |
x,y,z |
1_555 |
184 |
56 |
23142 |
1684.6 |
-18.5 |
0.069 |
20 |
1 |
0 |
0.824 |
7 |
|
L |
169 |
46 |
23419 |
◊ |
H |
x,y,z |
1_555 |
189 |
56 |
23068 |
1656.7 |
-18.0 |
0.117 |
16 |
0 |
0 |
0.824 |
8 |
|
E |
187 |
56 |
23106 |
◊ |
C |
x,y,z |
1_555 |
164 |
46 |
23633 |
1647.2 |
-18.5 |
0.072 |
15 |
1 |
0 |
0.824 |
9 |
|
F |
167 |
45 |
23258 |
◊ |
B |
x,y,z |
1_555 |
193 |
57 |
23019 |
1645.7 |
-18.1 |
0.096 |
18 |
0 |
0 |
0.824 |
10 |
|
B |
161 |
44 |
23019 |
◊ |
A |
x,y,z |
1_555 |
190 |
55 |
23351 |
1641.8 |
-17.4 |
0.108 |
17 |
0 |
0 |
0.824 |
11 |
|
K |
163 |
46 |
23245 |
◊ |
J |
x,y,z |
1_555 |
182 |
54 |
23396 |
1641.0 |
-17.3 |
0.089 |
17 |
1 |
0 |
0.824 |
12 |
|
J |
171 |
48 |
23396 |
◊ |
I |
x,y,z |
1_555 |
185 |
58 |
23344 |
1636.6 |
-17.2 |
0.099 |
19 |
1 |
0 |
0.824 |
Average: |
1680.1 |
-17.4 |
0.114 |
18 |
1 |
0 |
0.824 |
2 |
13 |
|
E |
152 |
40 |
23106 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
23351 |
1470.3 |
-7.3 |
0.446 |
16 |
3 |
0 |
0.665 |
14 |
|
J |
147 |
39 |
23396 |
◊ |
H |
x,y,z |
1_555 |
155 |
40 |
23068 |
1434.9 |
-12.6 |
0.200 |
15 |
4 |
0 |
0.665 |
15 |
|
K |
159 |
41 |
23245 |
◊ |
G |
x,y,z |
1_555 |
148 |
40 |
23139 |
1427.5 |
-11.6 |
0.244 |
12 |
2 |
0 |
0.665 |
16 |
|
F |
151 |
39 |
23258 |
◊ |
C |
x,y,z |
1_555 |
161 |
38 |
23633 |
1412.5 |
-11.6 |
0.239 |
15 |
2 |
0 |
0.665 |
17 |
|
L |
151 |
38 |
23419 |
◊ |
I |
x,y,z |
1_555 |
147 |
39 |
23344 |
1358.4 |
-14.0 |
0.158 |
15 |
3 |
0 |
0.665 |
18 |
|
D |
152 |
37 |
23142 |
◊ |
B |
x,y,z |
1_555 |
147 |
39 |
23019 |
1337.0 |
-11.6 |
0.220 |
19 |
3 |
0 |
0.665 |
Average: |
1406.8 |
-11.4 |
0.251 |
15 |
3 |
0 |
0.665 |
3 |
19 |
|
G |
72 |
25 |
23139 |
◊ |
F |
x,y,z |
1_555 |
71 |
25 |
23258 |
632.2 |
-7.9 |
0.177 |
5 |
0 |
0 |
0.048 |
4 |
20 |
|
J |
62 |
17 |
23396 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
64 |
18 |
23106 |
558.4 |
-9.3 |
0.074 |
3 |
0 |
0 |
0.155 |
5 |
21 |
|
H |
53 |
16 |
23068 |
◊ |
A |
x,y,z |
1_555 |
60 |
19 |
23351 |
506.0 |
-5.2 |
0.290 |
1 |
0 |
0 |
0.027 |
6 |
22 |
|
K |
37 |
13 |
23245 |
◊ |
H |
x,y,z |
1_555 |
40 |
13 |
23068 |
376.8 |
1.5 |
0.787 |
1 |
0 |
0 |
0.003 |
23 |
|
F |
39 |
11 |
23258 |
◊ |
D |
x,y,z |
1_555 |
37 |
12 |
23142 |
371.0 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.003 |
24 |
|
C |
39 |
11 |
23633 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
23351 |
364.0 |
0.5 |
0.709 |
2 |
0 |
0 |
0.003 |
25 |
|
L |
37 |
12 |
23419 |
◊ |
J |
x,y,z |
1_555 |
35 |
12 |
23396 |
359.7 |
-0.3 |
0.635 |
1 |
0 |
0 |
0.003 |
26 |
|
E |
36 |
11 |
23106 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
23019 |
358.3 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.003 |
27 |
|
I |
38 |
11 |
23344 |
◊ |
G |
x,y,z |
1_555 |
36 |
12 |
23139 |
354.7 |
0.7 |
0.719 |
0 |
0 |
0 |
0.003 |
Average: |
364.1 |
0.3 |
0.687 |
1 |
0 |
0 |
0.003 |
7 |
28 |
|
G |
33 |
10 |
23139 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
23019 |
292.1 |
-2.4 |
0.380 |
2 |
4 |
0 |
0.029 |
29 |
|
L |
23 |
9 |
23419 |
◊ |
F |
x,y,z |
1_555 |
32 |
9 |
23258 |
256.1 |
-2.0 |
0.376 |
0 |
2 |
0 |
0.029 |
Average: |
274.1 |
-2.2 |
0.378 |
1 |
3 |
0 |
0.029 |
8 |
30 |
|
[ADP]C:3 |
24 |
1 |
531 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
23633 |
271.6 |
1.5 |
0.842 |
3 |
0 |
0 |
0.010 |
31 |
|
[ADP]I:502 |
22 |
1 |
534 |
◊ |
I |
x,y,z |
1_555 |
39 |
15 |
23344 |
271.2 |
2.3 |
0.859 |
5 |
0 |
0 |
0.010 |
32 |
|
[ADP]K:502 |
22 |
1 |
537 |
◊ |
K |
x,y,z |
1_555 |
39 |
14 |
23245 |
261.2 |
1.5 |
0.828 |
5 |
0 |
0 |
0.010 |
33 |
|
[ADP]A:1 |
21 |
1 |
534 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
23351 |
257.1 |
2.7 |
0.869 |
5 |
0 |
0 |
0.010 |
34 |
|
[ADP]F:502 |
20 |
1 |
533 |
◊ |
F |
x,y,z |
1_555 |
40 |
15 |
23258 |
256.7 |
1.5 |
0.824 |
4 |
0 |
0 |
0.010 |
35 |
|
[ADP]J:502 |
21 |
1 |
533 |
◊ |
J |
x,y,z |
1_555 |
43 |
16 |
23396 |
255.5 |
1.9 |
0.830 |
5 |
0 |
0 |
0.010 |
36 |
|
[ADP]E:5 |
22 |
1 |
539 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
23106 |
254.4 |
2.0 |
0.838 |
4 |
0 |
0 |
0.010 |
37 |
|
[ADP]B:2 |
20 |
1 |
529 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
23019 |
254.4 |
1.6 |
0.820 |
4 |
0 |
0 |
0.010 |
38 |
|
[ADP]L:502 |
21 |
1 |
535 |
◊ |
L |
x,y,z |
1_555 |
37 |
12 |
23419 |
246.6 |
2.1 |
0.856 |
4 |
0 |
0 |
0.010 |
Average: |
258.8 |
1.9 |
0.841 |
4 |
0 |
0 |
0.010 |
9 |
39 |
|
[ADP]H:502 |
23 |
1 |
535 |
◊ |
H |
x,y,z |
1_555 |
47 |
16 |
23068 |
267.1 |
0.7 |
0.805 |
4 |
0 |
0 |
0.011 |
10 |
40 |
|
A |
26 |
7 |
23351 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
13 |
23245 |
259.5 |
-2.1 |
0.435 |
0 |
0 |
0 |
0.000 |
11 |
41 |
|
[ADP]G:502 |
20 |
1 |
537 |
◊ |
G |
x,y,z |
1_555 |
38 |
14 |
23139 |
249.3 |
1.7 |
0.803 |
5 |
0 |
0 |
0.006 |
42 |
|
[ADP]D:4 |
21 |
1 |
536 |
◊ |
D |
x,y,z |
1_555 |
36 |
14 |
23142 |
247.8 |
2.4 |
0.850 |
5 |
0 |
0 |
0.006 |
Average: |
248.5 |
2.0 |
0.826 |
5 |
0 |
0 |
0.006 |
12 |
43 |
|
H |
25 |
10 |
23068 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
37 |
12 |
23344 |
243.2 |
0.3 |
0.673 |
1 |
0 |
0 |
0.000 |
13 |
44 |
|
C |
33 |
9 |
23633 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
6 |
23106 |
213.3 |
-2.6 |
0.353 |
1 |
0 |
0 |
0.000 |
14 |
45 |
|
K |
20 |
5 |
23245 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
8 |
23106 |
198.9 |
-0.2 |
0.475 |
0 |
0 |
0 |
0.000 |
46 |
|
J |
17 |
7 |
23396 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
4 |
23633 |
129.9 |
-1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
Average: |
164.4 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.001 |
15 |
47 |
|
C |
23 |
6 |
23633 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
22 |
6 |
23142 |
191.6 |
-3.1 |
0.227 |
0 |
0 |
0 |
0.000 |
16 |
48 |
|
I |
25 |
6 |
23344 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
18 |
6 |
23106 |
191.5 |
-2.0 |
0.360 |
0 |
0 |
0 |
0.002 |
49 |
|
J |
11 |
4 |
23396 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
4 |
23142 |
106.3 |
-1.3 |
0.365 |
0 |
0 |
0 |
0.002 |
Average: |
148.9 |
-1.7 |
0.363 |
0 |
0 |
0 |
0.002 |
17 |
50 |
|
[ADP]G:502 |
15 |
1 |
537 |
f |
H |
x,y,z |
1_555 |
21 |
8 |
23068 |
159.9 |
-4.9 |
0.401 |
3 |
0 |
0 |
0.201 |
18 |
51 |
|
[ADP]L:502 |
14 |
1 |
535 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
23139 |
156.5 |
-5.5 |
0.315 |
2 |
0 |
0 |
0.405 |
52 |
|
[ADP]I:502 |
15 |
1 |
534 |
f |
J |
x,y,z |
1_555 |
21 |
10 |
23396 |
156.3 |
-4.5 |
0.416 |
1 |
0 |
0 |
0.405 |
53 |
|
[ADP]B:2 |
14 |
1 |
529 |
f |
F |
x,y,z |
1_555 |
20 |
8 |
23258 |
152.6 |
-4.3 |
0.413 |
3 |
0 |
0 |
0.405 |
54 |
|
[ADP]C:3 |
15 |
1 |
531 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
23142 |
152.5 |
-4.4 |
0.435 |
1 |
0 |
0 |
0.405 |
55 |
|
[ADP]A:1 |
16 |
1 |
534 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23019 |
152.2 |
-4.5 |
0.456 |
3 |
0 |
0 |
0.405 |
56 |
|
[ADP]F:502 |
15 |
1 |
533 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
23351 |
150.4 |
-4.4 |
0.432 |
3 |
0 |
0 |
0.405 |
57 |
|
[ADP]E:5 |
15 |
1 |
539 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
23633 |
149.9 |
-4.0 |
0.472 |
3 |
0 |
0 |
0.405 |
58 |
|
[ADP]J:502 |
15 |
1 |
533 |
f |
K |
x,y,z |
1_555 |
18 |
8 |
23245 |
143.7 |
-3.9 |
0.474 |
3 |
0 |
0 |
0.405 |
59 |
|
[ADP]K:502 |
15 |
1 |
537 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
23344 |
143.4 |
-4.3 |
0.430 |
3 |
0 |
0 |
0.405 |
Average: |
150.8 |
-4.4 |
0.427 |
2 |
0 |
0 |
0.405 |
19 |
60 |
|
[ADP]H:502 |
15 |
1 |
535 |
f |
L |
x,y,z |
1_555 |
20 |
9 |
23419 |
155.6 |
-3.7 |
0.499 |
3 |
0 |
0 |
0.159 |
20 |
61 |
|
[ADP]D:4 |
16 |
1 |
536 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
23106 |
153.0 |
-4.4 |
0.462 |
5 |
0 |
0 |
0.100 |
21 |
62 |
|
L |
22 |
7 |
23419 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
5 |
23258 |
142.0 |
0.1 |
0.640 |
1 |
1 |
0 |
0.000 |
22 |
63 |
|
L |
20 |
7 |
23419 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
6 |
23019 |
120.3 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
23 |
64 |
|
L |
12 |
5 |
23419 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
23344 |
109.9 |
-1.6 |
0.259 |
0 |
0 |
0 |
0.000 |
24 |
65 |
|
H |
10 |
5 |
23068 |
◊ |
K |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
23245 |
87.1 |
1.0 |
0.740 |
0 |
1 |
0 |
0.000 |
25 |
66 |
|
G |
10 |
5 |
23139 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
23351 |
79.0 |
0.1 |
0.592 |
1 |
0 |
0 |
0.000 |
67 |
|
H |
8 |
2 |
23068 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
23258 |
78.0 |
0.7 |
0.729 |
0 |
0 |
0 |
0.000 |
Average: |
78.5 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
26 |
68 |
|
F |
8 |
2 |
23258 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
23019 |
71.9 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.000 |
27 |
69 |
|
I |
7 |
3 |
23344 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
23068 |
65.2 |
-1.8 |
0.168 |
0 |
0 |
0 |
0.020 |
70 |
|
J |
7 |
3 |
23396 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
23139 |
61.3 |
-1.8 |
0.141 |
0 |
0 |
0 |
0.020 |
71 |
|
L |
7 |
3 |
23419 |
◊ |
K |
x,y,z |
1_555 |
6 |
3 |
23245 |
53.3 |
-1.4 |
0.206 |
0 |
0 |
0 |
0.020 |
72 |
|
C |
8 |
3 |
23633 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23019 |
52.4 |
-1.5 |
0.228 |
0 |
0 |
0 |
0.020 |
73 |
|
F |
6 |
2 |
23258 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
23106 |
46.2 |
-1.3 |
0.202 |
0 |
0 |
0 |
0.020 |
74 |
|
D |
5 |
2 |
23142 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
23351 |
46.0 |
-1.4 |
0.196 |
0 |
0 |
0 |
0.020 |
Average: |
54.1 |
-1.5 |
0.190 |
0 |
0 |
0 |
0.020 |
28 |
75 |
|
L |
12 |
6 |
23419 |
◊ |
K |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
5 |
23245 |
64.0 |
1.1 |
0.798 |
1 |
1 |
0 |
0.000 |
29 |
76 |
|
I |
8 |
3 |
23344 |
◊ |
K |
x-1,y,z |
1_455 |
11 |
3 |
23245 |
62.1 |
1.3 |
0.823 |
1 |
1 |
0 |
0.000 |
30 |
77 |
|
C |
6 |
2 |
23633 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
4 |
23142 |
51.4 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
31 |
78 |
|
H |
7 |
3 |
23068 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
4 |
23139 |
25.6 |
0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
32 |
79 |
|
C |
5 |
2 |
23633 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
23351 |
21.1 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
33 |
80 |
|
L |
1 |
1 |
23419 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
23351 |
13.9 |
0.3 |
0.526 |
0 |
0 |
0 |
0.000 |
81 |
|
H |
1 |
1 |
23068 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23019 |
6.7 |
0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
10.3 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
34 |
82 |
|
F |
2 |
1 |
23258 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
23351 |
12.9 |
0.6 |
0.832 |
0 |
0 |
0 |
0.000 |
35 |
83 |
|
L |
2 |
1 |
23419 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23019 |
5.9 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
36 |
84 |
|
J |
1 |
1 |
23396 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
23633 |
4.7 |
-0.2 |
0.334 |
0 |
0 |
0 |
0.000 |
37 |
85 |
|
I |
2 |
1 |
23344 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
23139 |
4.1 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
38 |
86 |
|
K |
1 |
1 |
23245 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
23633 |
1.0 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
|