| ## |
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 |
96 |
22 |
9374 |
◊ |
B |
x,y,z |
1_555 |
98 |
24 |
9300 |
920.7 |
-5.1 |
0.503 |
14 |
8 |
0 |
0.014 |
2 |
|
C |
96 |
22 |
9452 |
◊ |
A |
x,y,z |
1_555 |
94 |
21 |
9456 |
919.3 |
-2.8 |
0.625 |
15 |
10 |
0 |
0.014 |
3 |
|
E |
92 |
22 |
9468 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
91 |
22 |
9395 |
887.9 |
-5.3 |
0.460 |
17 |
8 |
0 |
0.014 |
| Average: |
909.3 |
-4.4 |
0.529 |
15 |
9 |
0 |
0.014 |
| 2 |
4 |
|
[RXP]B:6002 |
45 |
1 |
1072 |
f |
B |
x,y,z |
1_555 |
79 |
23 |
9300 |
567.4 |
-5.9 |
0.297 |
4 |
0 |
0 |
0.017 |
| 3 |
5 |
|
[RXP]C:6003 |
44 |
1 |
1040 |
f |
C |
x,y,z |
1_555 |
70 |
22 |
9452 |
547.7 |
-5.5 |
0.236 |
4 |
0 |
0 |
0.018 |
6 |
|
[RXP]F:6006 |
45 |
1 |
1056 |
f |
F |
x,y,z |
1_555 |
75 |
23 |
9395 |
543.7 |
-5.3 |
0.307 |
4 |
0 |
0 |
0.018 |
7 |
|
[RXP]D:6004 |
45 |
1 |
1037 |
f |
D |
x,y,z |
1_555 |
71 |
22 |
9374 |
543.1 |
-5.6 |
0.301 |
4 |
0 |
0 |
0.018 |
8 |
|
[RXP]E:6005 |
45 |
1 |
1054 |
f |
E |
x,y,z |
1_555 |
71 |
22 |
9468 |
537.3 |
-5.5 |
0.262 |
6 |
0 |
0 |
0.018 |
9 |
|
[RXP]A:6001 |
45 |
1 |
1035 |
f |
A |
x,y,z |
1_555 |
70 |
22 |
9456 |
532.6 |
-4.5 |
0.297 |
5 |
0 |
0 |
0.018 |
| Average: |
540.9 |
-5.3 |
0.281 |
5 |
0 |
0 |
0.018 |
| 4 |
10 |
|
C |
42 |
11 |
9452 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
51 |
12 |
9300 |
394.7 |
1.4 |
0.802 |
5 |
0 |
0 |
0.000 |
11 |
|
A |
44 |
10 |
9456 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
9 |
9374 |
388.3 |
-1.1 |
0.611 |
6 |
0 |
0 |
0.000 |
12 |
|
E |
40 |
10 |
9468 |
◊ |
A |
x,y,z |
1_555 |
40 |
8 |
9456 |
381.5 |
0.5 |
0.729 |
7 |
0 |
0 |
0.000 |
13 |
|
C |
43 |
10 |
9452 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
42 |
9 |
9395 |
368.8 |
0.4 |
0.737 |
4 |
0 |
0 |
0.000 |
| Average: |
383.3 |
0.3 |
0.720 |
6 |
0 |
0 |
0.000 |
| 5 |
14 |
|
B |
38 |
9 |
9300 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
41 |
10 |
9452 |
360.6 |
-2.4 |
0.443 |
2 |
0 |
0 |
0.000 |
15 |
|
E |
36 |
11 |
9468 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
37 |
10 |
9395 |
345.8 |
-2.0 |
0.504 |
3 |
0 |
0 |
0.000 |
16 |
|
A |
38 |
12 |
9456 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
33 |
10 |
9374 |
333.2 |
-1.6 |
0.537 |
4 |
0 |
0 |
0.000 |
| Average: |
346.5 |
-2.0 |
0.495 |
3 |
0 |
0 |
0.000 |
| 6 |
17 |
|
[CPS]F:5011 |
22 |
1 |
543 |
◊ |
F |
x,y,z |
1_555 |
50 |
18 |
9395 |
350.4 |
2.5 |
0.352 |
0 |
0 |
0 |
0.000 |
| 7 |
18 |
|
[CPS]D:5009 |
22 |
1 |
541 |
f |
D |
x,y,z |
1_555 |
54 |
18 |
9374 |
340.3 |
2.0 |
0.363 |
0 |
0 |
0 |
0.000 |
19 |
|
[CPS]C:5008 |
22 |
1 |
540 |
f |
C |
x,y,z |
1_555 |
51 |
18 |
9452 |
338.7 |
2.0 |
0.361 |
0 |
0 |
0 |
0.000 |
20 |
|
[CPS]A:5006 |
22 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
52 |
19 |
9456 |
338.1 |
2.5 |
0.414 |
0 |
0 |
0 |
0.000 |
| Average: |
339.0 |
2.2 |
0.379 |
0 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[CPS]E:5010 |
21 |
1 |
542 |
◊ |
E |
x,y,z |
1_555 |
48 |
15 |
9468 |
294.3 |
1.1 |
0.321 |
0 |
0 |
0 |
0.000 |
22 |
|
[CPS]B:5007 |
21 |
1 |
543 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
9300 |
286.4 |
1.3 |
0.338 |
0 |
0 |
0 |
0.000 |
| Average: |
290.4 |
1.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 9 |
23 |
|
E |
27 |
7 |
9468 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
30 |
8 |
9374 |
278.1 |
-0.8 |
0.601 |
3 |
4 |
0 |
0.000 |
24 |
|
A |
26 |
7 |
9456 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
30 |
8 |
9395 |
259.7 |
-1.3 |
0.453 |
1 |
0 |
0 |
0.000 |
| Average: |
268.9 |
-1.1 |
0.527 |
2 |
2 |
0 |
0.000 |
| 10 |
25 |
|
F |
25 |
9 |
9395 |
◊ |
D |
x,y,z |
1_555 |
30 |
11 |
9374 |
235.9 |
-0.4 |
0.649 |
2 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[CPS]F:5091 |
24 |
1 |
894 |
f |
F |
x,y,z |
1_555 |
23 |
6 |
9395 |
233.4 |
0.1 |
0.270 |
0 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[CPS]F:5091 |
17 |
1 |
894 |
f |
[RXP]F:6006 |
x,y,z |
1_555 |
27 |
1 |
1056 |
198.0 |
2.4 |
0.505 |
0 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[CPS]A:5001 |
15 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
9456 |
174.5 |
0.9 |
0.331 |
0 |
0 |
0 |
0.000 |
29 |
|
[CPS]D:5004 |
15 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
9374 |
172.8 |
1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
30 |
|
[CPS]B:5002 |
15 |
1 |
538 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
9300 |
172.6 |
0.9 |
0.316 |
0 |
0 |
0 |
0.000 |
31 |
|
[CPS]C:5003 |
17 |
1 |
541 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9452 |
166.8 |
1.1 |
0.315 |
0 |
0 |
0 |
0.000 |
32 |
|
[CPS]E:5005 |
14 |
1 |
541 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
9468 |
166.4 |
1.1 |
0.361 |
0 |
0 |
0 |
0.000 |
| Average: |
170.6 |
1.1 |
0.344 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[RXP]A:6001 |
23 |
1 |
1035 |
f |
[CPS]A:5001 |
x,y,z |
1_555 |
11 |
1 |
541 |
160.1 |
2.8 |
0.528 |
0 |
0 |
0 |
0.000 |
34 |
|
[RXP]E:6005 |
23 |
1 |
1054 |
f |
[CPS]E:5005 |
x,y,z |
1_555 |
11 |
1 |
541 |
159.6 |
2.2 |
0.508 |
0 |
0 |
0 |
0.000 |
35 |
|
[RXP]D:6004 |
22 |
1 |
1037 |
f |
[CPS]D:5004 |
x,y,z |
1_555 |
11 |
1 |
540 |
152.7 |
3.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| Average: |
157.4 |
2.7 |
0.536 |
0 |
0 |
0 |
0.000 |
| 15 |
36 |
|
[RXP]C:6003 |
21 |
1 |
1040 |
f |
[CPS]C:5003 |
x,y,z |
1_555 |
11 |
1 |
541 |
153.1 |
1.8 |
0.450 |
0 |
0 |
0 |
0.000 |
37 |
|
[RXP]B:6002 |
22 |
1 |
1072 |
f |
[CPS]B:5002 |
x,y,z |
1_555 |
9 |
1 |
538 |
120.5 |
1.8 |
0.507 |
0 |
0 |
0 |
0.000 |
| Average: |
136.8 |
1.8 |
0.478 |
0 |
0 |
0 |
0.000 |
| 16 |
38 |
|
C |
11 |
2 |
9452 |
◊ |
[CPS]F:5091 |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
1 |
894 |
75.2 |
-2.0 |
0.153 |
0 |
0 |
0 |
0.000 |
| 17 |
39 |
|
[CPS]A:5001 |
8 |
1 |
541 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
9468 |
66.3 |
-1.8 |
0.127 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
11 |
2 |
9456 |
◊ |
[CPS]D:5004 |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
1 |
540 |
66.3 |
-1.7 |
0.147 |
0 |
0 |
0 |
0.000 |
41 |
|
[CPS]C:5003 |
6 |
1 |
541 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
2 |
9300 |
62.7 |
-1.8 |
0.140 |
0 |
0 |
0 |
0.000 |
| Average: |
65.1 |
-1.8 |
0.138 |
0 |
0 |
0 |
0.000 |
| 18 |
42 |
|
[CPS]F:5091 |
5 |
1 |
894 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
9374 |
65.6 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
| 19 |
43 |
|
[ZN]B:5505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9300 |
36.8 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.059 |
44 |
|
[ZN]C:5508 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9452 |
36.8 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.059 |
45 |
|
[ZN]D:5511 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9374 |
36.5 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.059 |
46 |
|
[ZN]A:5502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9456 |
36.5 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.059 |
47 |
|
[ZN]E:5514 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
9468 |
35.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.059 |
48 |
|
[ZN]F:5517 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
9395 |
35.7 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
36.4 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
49 |
|
[RXP]C:6003 |
6 |
1 |
1040 |
f |
[ZN]C:5508 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.6 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.036 |
50 |
|
[RXP]E:6005 |
6 |
1 |
1054 |
f |
[ZN]E:5514 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.036 |
51 |
|
[RXP]D:6004 |
6 |
1 |
1037 |
f |
[ZN]D:5511 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.036 |
52 |
|
[RXP]B:6002 |
7 |
1 |
1072 |
f |
[ZN]B:5505 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.036 |
53 |
|
[RXP]F:6006 |
7 |
1 |
1056 |
f |
[ZN]F:5517 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.036 |
54 |
|
[RXP]A:6001 |
7 |
1 |
1035 |
f |
[ZN]A:5502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
31.9 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 21 |
55 |
|
[RXP]D:6004 |
2 |
1 |
1037 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
9395 |
22.2 |
0.6 |
0.709 |
0 |
0 |
0 |
0.000 |
56 |
|
[RXP]F:6006 |
2 |
1 |
1056 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9374 |
18.7 |
0.5 |
0.695 |
0 |
0 |
0 |
0.000 |
| Average: |
20.4 |
0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
| 22 |
57 |
|
[CPS]B:5002 |
3 |
1 |
538 |
f |
[ZN]B:5505 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
|
[CPS]A:5001 |
3 |
1 |
541 |
f |
[ZN]A:5502 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.006 |
59 |
|
[CPS]E:5005 |
3 |
1 |
541 |
f |
[ZN]E:5514 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
60 |
|
[CPS]D:5004 |
3 |
1 |
540 |
f |
[ZN]D:5511 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.006 |
61 |
|
[CPS]C:5003 |
1 |
1 |
541 |
f |
[ZN]C:5508 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
5.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 23 |
62 |
|
[CPS]F:5091 |
3 |
1 |
894 |
f |
[ZN]F:5517 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 24 |
63 |
|
[RXP]F:6006 |
1 |
1 |
1056 |
◊ |
[RXP]D:6004 |
x,y,z |
1_555 |
1 |
1 |
1037 |
6.3 |
0.4 |
0.720 |
0 |
0 |
0 |
0.000 |
| 25 |
64 |
|
E |
2 |
1 |
9468 |
f |
[CPS]F:5011 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
543 |
6.1 |
0.0 |
0.467 |
0 |
0 |
0 |
0.000 |
| 26 |
65 |
|
[CPS]E:5010 |
1 |
1 |
542 |
f |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
9395 |
1.4 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 27 |
66 |
|
A |
1 |
1 |
9456 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
9300 |
0.4 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|