| ## |
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 |
|
D |
155 |
47 |
15574 |
◊ |
C |
x,y,z |
1_555 |
159 |
48 |
15666 |
1507.7 |
-16.9 |
0.078 |
14 |
5 |
0 |
0.794 |
2 |
|
B |
160 |
48 |
15446 |
◊ |
A |
x,y,z |
1_555 |
152 |
47 |
15641 |
1506.8 |
-17.5 |
0.066 |
14 |
4 |
0 |
0.794 |
3 |
|
F |
153 |
47 |
15524 |
◊ |
E |
x,y,z |
1_555 |
156 |
47 |
15526 |
1497.5 |
-16.8 |
0.093 |
13 |
5 |
0 |
0.794 |
4 |
|
H |
151 |
48 |
15622 |
◊ |
G |
x,y,z |
1_555 |
154 |
47 |
15591 |
1483.8 |
-18.2 |
0.056 |
13 |
5 |
0 |
0.794 |
| Average: |
1498.9 |
-17.3 |
0.073 |
14 |
5 |
0 |
0.794 |
| 2 |
5 |
|
D |
111 |
36 |
15574 |
◊ |
A |
x,y,z |
1_555 |
116 |
35 |
15641 |
1040.9 |
-4.2 |
0.535 |
20 |
4 |
0 |
0.633 |
6 |
|
H |
107 |
32 |
15622 |
◊ |
E |
x,y,z |
1_555 |
105 |
32 |
15526 |
1031.8 |
-3.8 |
0.539 |
22 |
5 |
0 |
0.633 |
7 |
|
C |
103 |
31 |
15666 |
◊ |
B |
x,y,z |
1_555 |
100 |
30 |
15446 |
1003.1 |
-5.5 |
0.425 |
21 |
6 |
0 |
0.633 |
8 |
|
G |
104 |
31 |
15591 |
◊ |
F |
x,y,z |
1_555 |
100 |
30 |
15524 |
996.1 |
-6.0 |
0.442 |
21 |
6 |
0 |
0.633 |
| Average: |
1018.0 |
-4.9 |
0.485 |
21 |
5 |
0 |
0.633 |
| 3 |
9 |
|
C |
73 |
18 |
15666 |
◊ |
A |
x,y,z |
1_555 |
74 |
18 |
15641 |
657.9 |
-3.0 |
0.507 |
13 |
9 |
0 |
0.099 |
10 |
|
H |
72 |
16 |
15622 |
◊ |
F |
x,y,z |
1_555 |
70 |
17 |
15524 |
642.7 |
-3.6 |
0.469 |
12 |
8 |
0 |
0.099 |
11 |
|
G |
70 |
18 |
15591 |
◊ |
E |
x,y,z |
1_555 |
71 |
17 |
15526 |
642.6 |
-1.0 |
0.665 |
13 |
8 |
0 |
0.099 |
12 |
|
D |
68 |
17 |
15574 |
◊ |
B |
x,y,z |
1_555 |
73 |
18 |
15446 |
640.4 |
-0.9 |
0.640 |
13 |
8 |
0 |
0.099 |
| Average: |
645.9 |
-2.1 |
0.570 |
13 |
8 |
0 |
0.099 |
| 4 |
13 |
|
[NAD]A:400 |
43 |
1 |
847 |
f |
A |
x,y,z |
1_555 |
68 |
28 |
15641 |
564.5 |
-7.4 |
0.247 |
9 |
0 |
0 |
0.905 |
14 |
|
[NAD]F:400 |
43 |
1 |
849 |
f |
F |
x,y,z |
1_555 |
68 |
29 |
15524 |
556.7 |
-7.6 |
0.254 |
9 |
0 |
0 |
0.905 |
15 |
|
[NAD]D:400 |
42 |
1 |
847 |
f |
D |
x,y,z |
1_555 |
67 |
28 |
15574 |
555.2 |
-7.3 |
0.258 |
9 |
0 |
0 |
0.905 |
16 |
|
[NAD]C:400 |
42 |
1 |
845 |
f |
C |
x,y,z |
1_555 |
65 |
27 |
15666 |
554.5 |
-7.2 |
0.263 |
9 |
0 |
0 |
0.905 |
17 |
|
[NAD]H:400 |
42 |
1 |
846 |
f |
H |
x,y,z |
1_555 |
73 |
29 |
15622 |
554.0 |
-7.5 |
0.271 |
7 |
0 |
0 |
0.905 |
18 |
|
[NAD]E:400 |
42 |
1 |
841 |
f |
E |
x,y,z |
1_555 |
68 |
27 |
15526 |
545.7 |
-7.2 |
0.266 |
9 |
0 |
0 |
0.905 |
19 |
|
[NAD]B:400 |
42 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
64 |
28 |
15446 |
539.8 |
-6.5 |
0.309 |
9 |
0 |
0 |
0.905 |
20 |
|
[NAD]G:400 |
41 |
1 |
848 |
f |
G |
x,y,z |
1_555 |
64 |
28 |
15591 |
539.7 |
-7.2 |
0.264 |
10 |
0 |
0 |
0.905 |
| Average: |
551.3 |
-7.2 |
0.266 |
9 |
0 |
0 |
0.905 |
| 5 |
21 |
|
[EPE]F:401 |
15 |
1 |
409 |
f |
F |
x,y,z |
1_555 |
41 |
14 |
15524 |
267.4 |
6.7 |
0.337 |
2 |
0 |
0 |
0.000 |
22 |
|
[EPE]H:401 |
15 |
1 |
408 |
f |
H |
x,y,z |
1_555 |
39 |
14 |
15622 |
267.0 |
6.5 |
0.284 |
3 |
0 |
0 |
0.000 |
23 |
|
[EPE]G:401 |
15 |
1 |
407 |
f |
G |
x,y,z |
1_555 |
40 |
13 |
15591 |
266.4 |
6.5 |
0.286 |
3 |
0 |
0 |
0.000 |
24 |
|
[EPE]A:401 |
15 |
1 |
404 |
f |
A |
x,y,z |
1_555 |
39 |
13 |
15641 |
258.4 |
6.4 |
0.292 |
3 |
0 |
0 |
0.000 |
| Average: |
264.8 |
6.5 |
0.300 |
3 |
0 |
0 |
0.000 |
| 6 |
25 |
|
[EPE]E:401 |
15 |
1 |
402 |
f |
E |
x,y,z |
1_555 |
40 |
13 |
15526 |
266.2 |
6.6 |
0.326 |
1 |
0 |
0 |
0.000 |
26 |
|
[EPE]C:401 |
15 |
1 |
402 |
f |
C |
x,y,z |
1_555 |
40 |
14 |
15666 |
261.6 |
6.6 |
0.337 |
3 |
0 |
0 |
0.000 |
27 |
|
[EPE]B:401 |
15 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
41 |
13 |
15446 |
261.4 |
6.5 |
0.287 |
1 |
0 |
0 |
0.000 |
| Average: |
263.1 |
6.6 |
0.317 |
2 |
0 |
0 |
0.000 |
| 7 |
28 |
|
[EPE]D:401 |
15 |
1 |
404 |
f |
D |
x,y,z |
1_555 |
41 |
14 |
15574 |
263.7 |
6.2 |
0.270 |
3 |
0 |
0 |
0.000 |
| 8 |
29 |
|
A |
28 |
8 |
15641 |
◊ |
B |
x,y,z-1 |
1_554 |
29 |
8 |
15446 |
218.2 |
-0.0 |
0.653 |
1 |
0 |
0 |
0.000 |
| 9 |
30 |
|
E |
23 |
7 |
15526 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
15666 |
185.9 |
0.7 |
0.664 |
2 |
0 |
0 |
0.000 |
31 |
|
D |
23 |
7 |
15574 |
◊ |
F |
x-1,y,z |
1_455 |
24 |
8 |
15524 |
181.6 |
0.3 |
0.596 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
23 |
7 |
15641 |
◊ |
G |
x,y-1,z |
1_545 |
21 |
7 |
15591 |
176.8 |
0.6 |
0.652 |
2 |
0 |
0 |
0.000 |
33 |
|
B |
22 |
7 |
15446 |
◊ |
H |
x-1,y-1,z |
1_445 |
21 |
7 |
15622 |
175.7 |
0.6 |
0.637 |
1 |
0 |
0 |
0.000 |
| Average: |
180.0 |
0.5 |
0.637 |
2 |
0 |
0 |
0.000 |
| 10 |
34 |
|
B |
23 |
5 |
15446 |
◊ |
H |
x,y-1,z |
1_545 |
14 |
7 |
15622 |
166.8 |
-2.1 |
0.154 |
0 |
0 |
0 |
0.000 |
35 |
|
F |
21 |
5 |
15524 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
15574 |
153.1 |
-1.7 |
0.213 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
14 |
7 |
15641 |
◊ |
G |
x-1,y-1,z |
1_445 |
23 |
5 |
15591 |
151.8 |
-1.8 |
0.195 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
21 |
5 |
15666 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
7 |
15526 |
150.8 |
-1.6 |
0.214 |
0 |
0 |
0 |
0.000 |
| Average: |
155.6 |
-1.8 |
0.194 |
0 |
0 |
0 |
0.000 |
| 11 |
38 |
|
F |
24 |
7 |
15524 |
◊ |
E |
x,y,z-1 |
1_554 |
22 |
7 |
15526 |
158.8 |
1.0 |
0.780 |
2 |
4 |
0 |
0.000 |
| 12 |
39 |
|
A |
13 |
3 |
15641 |
◊ |
H |
x,y-1,z |
1_545 |
12 |
4 |
15622 |
116.8 |
-0.9 |
0.435 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
14 |
3 |
15574 |
◊ |
E |
x-1,y,z |
1_455 |
11 |
4 |
15526 |
113.9 |
-1.2 |
0.384 |
0 |
0 |
0 |
0.000 |
41 |
|
E |
15 |
3 |
15526 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
15574 |
113.6 |
-1.1 |
0.419 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
11 |
4 |
15641 |
◊ |
H |
x-1,y-1,z |
1_445 |
14 |
3 |
15622 |
110.4 |
-1.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
113.7 |
-1.0 |
0.412 |
0 |
0 |
0 |
0.000 |
| 13 |
43 |
|
[K]D:403 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
15574 |
111.2 |
-73.8 |
0.000 |
0 |
0 |
0 |
0.778 |
44 |
|
[K]H:403 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
15622 |
111.0 |
-76.1 |
0.000 |
0 |
0 |
0 |
0.778 |
| Average: |
111.1 |
-75.0 |
0.000 |
0 |
0 |
0 |
0.778 |
| 14 |
45 |
|
[EDO]G:402 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
17 |
8 |
15591 |
102.7 |
3.5 |
0.507 |
4 |
0 |
0 |
0.000 |
| 15 |
46 |
|
[EDO]E:403 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
17 |
5 |
15526 |
96.1 |
3.7 |
0.531 |
2 |
0 |
0 |
0.000 |
| 16 |
47 |
|
[EDO]E:402 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
15526 |
87.7 |
2.8 |
0.489 |
1 |
0 |
0 |
0.000 |
| 17 |
48 |
|
[EDO]H:402 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
15622 |
86.7 |
2.8 |
0.491 |
2 |
0 |
0 |
0.000 |
| 18 |
49 |
|
[EDO]D:402 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
15574 |
86.6 |
2.6 |
0.486 |
2 |
0 |
0 |
0.000 |
| 19 |
50 |
|
E |
7 |
2 |
15526 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15446 |
57.5 |
-0.9 |
0.269 |
0 |
1 |
0 |
0.000 |
51 |
|
A |
7 |
2 |
15641 |
◊ |
F |
x,y-1,z |
1_545 |
4 |
2 |
15524 |
57.0 |
-1.0 |
0.205 |
0 |
1 |
0 |
0.000 |
52 |
|
D |
7 |
2 |
15574 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
15591 |
53.5 |
-0.5 |
0.417 |
0 |
1 |
0 |
0.000 |
53 |
|
C |
4 |
2 |
15666 |
◊ |
H |
x-1,y-1,z |
1_445 |
6 |
2 |
15622 |
48.2 |
-0.2 |
0.537 |
1 |
1 |
0 |
0.000 |
| Average: |
54.1 |
-0.6 |
0.357 |
0 |
1 |
0 |
0.000 |
| 20 |
54 |
|
G |
9 |
5 |
15591 |
◊ |
H |
x,y,z-1 |
1_554 |
3 |
2 |
15622 |
52.0 |
1.7 |
0.880 |
1 |
2 |
0 |
0.000 |
| 21 |
55 |
|
[EDO]H:402 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
15526 |
47.3 |
1.1 |
0.811 |
0 |
0 |
0 |
0.000 |
| 22 |
56 |
|
[EDO]D:402 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15641 |
43.8 |
0.9 |
0.807 |
1 |
0 |
0 |
0.000 |
| 23 |
57 |
|
B |
3 |
1 |
15446 |
◊ |
G |
x-1,y-1,z+1 |
1_446 |
7 |
3 |
15591 |
38.1 |
1.6 |
0.848 |
2 |
2 |
0 |
0.000 |
| 24 |
58 |
|
[EDO]E:402 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
15622 |
37.9 |
0.7 |
0.758 |
0 |
0 |
0 |
0.000 |
| 25 |
59 |
|
D |
6 |
2 |
15574 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
15666 |
37.9 |
1.2 |
0.859 |
1 |
0 |
0 |
0.000 |
| 26 |
60 |
|
[EDO]E:402 |
3 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
15591 |
34.7 |
1.1 |
0.960 |
2 |
0 |
0 |
0.000 |
| 27 |
61 |
|
[EDO]D:402 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15446 |
34.6 |
1.2 |
0.966 |
1 |
0 |
0 |
0.000 |
| 28 |
62 |
|
[EDO]H:402 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
15524 |
34.1 |
0.9 |
0.950 |
1 |
0 |
0 |
0.000 |
| 29 |
63 |
|
[EDO]G:402 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
15524 |
26.1 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 30 |
64 |
|
[EPE]E:401 |
1 |
1 |
402 |
f |
[NAD]E:400 |
x,y,z |
1_555 |
2 |
1 |
841 |
8.2 |
0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
65 |
|
[EPE]B:401 |
1 |
1 |
405 |
f |
[NAD]B:400 |
x,y,z |
1_555 |
1 |
1 |
850 |
7.2 |
0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
7.7 |
0.2 |
0.361 |
0 |
0 |
0 |
0.000 |
| 31 |
66 |
|
[EPE]F:401 |
1 |
1 |
409 |
f |
[NAD]F:400 |
x,y,z |
1_555 |
2 |
1 |
849 |
7.2 |
0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
| 32 |
67 |
|
[EPE]C:401 |
1 |
1 |
402 |
f |
[NAD]C:400 |
x,y,z |
1_555 |
2 |
1 |
845 |
5.8 |
0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 33 |
68 |
|
[EPE]A:401 |
1 |
1 |
404 |
f |
[NAD]A:400 |
x,y,z |
1_555 |
2 |
1 |
847 |
5.4 |
0.2 |
0.342 |
0 |
0 |
0 |
0.000 |
69 |
|
[EPE]H:401 |
1 |
1 |
408 |
f |
[NAD]H:400 |
x,y,z |
1_555 |
1 |
1 |
846 |
5.1 |
0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
70 |
|
[EPE]G:401 |
2 |
1 |
407 |
f |
[NAD]G:400 |
x,y,z |
1_555 |
1 |
1 |
848 |
4.5 |
0.2 |
0.157 |
0 |
0 |
0 |
0.000 |
| Average: |
5.0 |
0.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| 34 |
71 |
|
[EPE]D:401 |
1 |
1 |
404 |
f |
[NAD]D:400 |
x,y,z |
1_555 |
1 |
1 |
847 |
5.3 |
0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
|