| ## |
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 |
89 |
24 |
17193 |
◊ |
H |
x,y-1,z-1 |
1_544 |
84 |
23 |
17286 |
778.7 |
-8.2 |
0.177 |
3 |
3 |
0 |
0.000 |
2 |
|
D |
78 |
23 |
17522 |
◊ |
B |
x,y,z |
1_555 |
80 |
24 |
17493 |
749.5 |
-6.8 |
0.233 |
1 |
1 |
0 |
0.000 |
| Average: |
764.1 |
-7.5 |
0.205 |
2 |
2 |
0 |
0.000 |
| 2 |
3 |
|
[ZMQ]G:99 |
37 |
1 |
965 |
◊ |
H |
x,y,z |
1_555 |
86 |
33 |
17286 |
637.6 |
-6.8 |
0.295 |
7 |
0 |
0 |
0.225 |
4 |
|
[ZMQ]A:99 |
37 |
1 |
948 |
◊ |
B |
x,y,z |
1_555 |
87 |
36 |
17493 |
637.2 |
-5.3 |
0.410 |
8 |
0 |
0 |
0.225 |
5 |
|
[ZMQ]E:99 |
37 |
1 |
949 |
◊ |
F |
x,y,z |
1_555 |
88 |
33 |
17193 |
634.1 |
-4.7 |
0.456 |
9 |
0 |
0 |
0.225 |
6 |
|
[ZMQ]C:99 |
36 |
1 |
947 |
◊ |
D |
x,y,z |
1_555 |
87 |
34 |
17522 |
632.5 |
-7.8 |
0.243 |
5 |
0 |
0 |
0.225 |
| Average: |
635.4 |
-6.2 |
0.351 |
7 |
0 |
0 |
0.225 |
| 3 |
7 |
|
D |
54 |
17 |
17522 |
◊ |
C |
x,y,z |
1_555 |
62 |
19 |
5292 |
592.6 |
-3.7 |
0.419 |
8 |
3 |
0 |
0.192 |
8 |
|
H |
55 |
15 |
17286 |
◊ |
G |
x,y,z |
1_555 |
54 |
16 |
5243 |
581.1 |
-2.8 |
0.463 |
11 |
5 |
0 |
0.192 |
9 |
|
B |
55 |
15 |
17493 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
5235 |
573.5 |
-4.4 |
0.319 |
7 |
2 |
0 |
0.192 |
10 |
|
F |
57 |
16 |
17193 |
◊ |
E |
x,y,z |
1_555 |
59 |
17 |
5256 |
571.6 |
-4.4 |
0.329 |
8 |
5 |
0 |
0.192 |
| Average: |
579.7 |
-3.8 |
0.383 |
9 |
4 |
0 |
0.192 |
| 4 |
11 |
|
[HEM]B:405 |
43 |
1 |
842 |
f |
B |
x,y,z |
1_555 |
83 |
33 |
17493 |
582.1 |
-23.8 |
0.182 |
6 |
0 |
0 |
0.595 |
12 |
|
[HEM]H:405 |
43 |
1 |
845 |
f |
H |
x,y,z |
1_555 |
85 |
33 |
17286 |
579.3 |
-23.5 |
0.186 |
6 |
0 |
0 |
0.595 |
| Average: |
580.7 |
-23.6 |
0.184 |
6 |
0 |
0 |
0.595 |
| 5 |
13 |
|
[HEM]D:405 |
42 |
1 |
845 |
f |
D |
x,y,z |
1_555 |
83 |
33 |
17522 |
581.0 |
-23.5 |
0.183 |
6 |
0 |
0 |
0.587 |
14 |
|
[HEM]F:405 |
42 |
1 |
842 |
f |
F |
x,y,z |
1_555 |
82 |
32 |
17193 |
573.9 |
-23.6 |
0.168 |
5 |
0 |
0 |
0.587 |
| Average: |
577.4 |
-23.6 |
0.175 |
6 |
0 |
0 |
0.587 |
| 6 |
15 |
|
C |
46 |
14 |
5292 |
◊ |
H |
x,y,z-1 |
1_554 |
39 |
14 |
17286 |
369.2 |
-4.0 |
0.268 |
2 |
0 |
0 |
0.000 |
16 |
|
D |
41 |
12 |
17522 |
◊ |
G |
x-1,y,z-1 |
1_454 |
45 |
15 |
5243 |
360.6 |
-4.2 |
0.256 |
2 |
0 |
0 |
0.000 |
| Average: |
364.9 |
-4.1 |
0.262 |
2 |
0 |
0 |
0.000 |
| 7 |
17 |
|
A |
38 |
8 |
5235 |
◊ |
D |
x,y-1,z |
1_545 |
45 |
14 |
17522 |
352.3 |
-2.0 |
0.358 |
7 |
0 |
0 |
0.000 |
18 |
|
E |
36 |
8 |
5256 |
◊ |
H |
x,y,z-1 |
1_554 |
48 |
16 |
17286 |
344.9 |
-0.6 |
0.511 |
6 |
0 |
0 |
0.000 |
19 |
|
F |
39 |
13 |
17193 |
◊ |
G |
x,y,z-1 |
1_554 |
33 |
8 |
5243 |
308.2 |
-0.4 |
0.541 |
6 |
0 |
0 |
0.000 |
20 |
|
B |
39 |
12 |
17493 |
◊ |
C |
x,y-1,z |
1_545 |
30 |
8 |
5292 |
301.4 |
-1.6 |
0.295 |
5 |
0 |
0 |
0.000 |
| Average: |
326.7 |
-1.1 |
0.426 |
6 |
0 |
0 |
0.000 |
| 8 |
21 |
|
D |
47 |
12 |
17522 |
◊ |
H |
x-1,y,z |
1_455 |
37 |
7 |
17286 |
325.7 |
-0.9 |
0.580 |
4 |
0 |
0 |
0.000 |
| 9 |
22 |
|
[HTG]A:100 |
15 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
5235 |
257.6 |
2.6 |
0.286 |
2 |
0 |
0 |
0.153 |
23 |
|
[HTG]G:100 |
12 |
1 |
322 |
f |
G |
x,y,z |
1_555 |
32 |
10 |
5243 |
204.4 |
-1.8 |
0.364 |
2 |
0 |
0 |
0.153 |
24 |
|
[HTG]E:100 |
12 |
1 |
323 |
f |
E |
x,y,z |
1_555 |
30 |
11 |
5256 |
201.3 |
-1.8 |
0.330 |
2 |
0 |
0 |
0.153 |
| Average: |
221.1 |
-0.3 |
0.327 |
2 |
0 |
0 |
0.153 |
| 10 |
25 |
|
H |
35 |
12 |
17286 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
17522 |
244.3 |
1.8 |
0.794 |
4 |
1 |
0 |
0.000 |
| 11 |
26 |
|
F |
25 |
6 |
17193 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
5 |
5256 |
225.4 |
1.3 |
0.735 |
4 |
1 |
0 |
0.000 |
27 |
|
B |
22 |
5 |
17493 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
6 |
5235 |
214.5 |
1.2 |
0.730 |
3 |
1 |
0 |
0.000 |
| Average: |
219.9 |
1.2 |
0.733 |
4 |
1 |
0 |
0.000 |
| 12 |
28 |
|
[HTG]C:100 |
12 |
1 |
321 |
f |
C |
x,y,z |
1_555 |
33 |
10 |
5292 |
204.6 |
-1.9 |
0.357 |
2 |
0 |
0 |
0.086 |
| 13 |
29 |
|
F |
22 |
5 |
17193 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
17493 |
200.8 |
1.3 |
0.784 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
20 |
5 |
17493 |
◊ |
F |
x-1,y,z |
1_455 |
14 |
5 |
17193 |
154.0 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.000 |
| Average: |
177.4 |
0.3 |
0.648 |
1 |
0 |
0 |
0.000 |
| 14 |
31 |
|
[HTG]H:417 |
7 |
1 |
294 |
◊ |
H |
x,y,z |
1_555 |
33 |
12 |
17286 |
189.7 |
0.5 |
0.383 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[HTG]F:417 |
6 |
1 |
257 |
f |
F |
x,y,z |
1_555 |
29 |
10 |
17193 |
151.4 |
4.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| 16 |
33 |
|
B |
17 |
7 |
17493 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
24 |
7 |
17286 |
149.9 |
2.3 |
0.853 |
1 |
1 |
0 |
0.000 |
34 |
|
F |
14 |
4 |
17193 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
17522 |
147.2 |
2.8 |
0.865 |
2 |
2 |
0 |
0.000 |
| Average: |
148.6 |
2.6 |
0.859 |
2 |
2 |
0 |
0.000 |
| 17 |
35 |
|
[HTG]D:417 |
5 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
17522 |
145.3 |
2.7 |
0.200 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
A |
16 |
5 |
5235 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
5 |
5292 |
143.8 |
1.9 |
0.859 |
2 |
2 |
0 |
0.000 |
37 |
|
E |
15 |
6 |
5256 |
◊ |
G |
x,y,z-1 |
1_554 |
17 |
5 |
5243 |
132.4 |
0.3 |
0.647 |
1 |
0 |
0 |
0.000 |
| Average: |
138.1 |
1.1 |
0.753 |
2 |
1 |
0 |
0.000 |
| 19 |
38 |
|
[HTG]A:101 |
7 |
1 |
283 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
17493 |
114.9 |
2.3 |
0.063 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
B |
19 |
5 |
17493 |
x |
B |
x-1,y,z |
1_455 |
7 |
3 |
17493 |
91.5 |
1.7 |
0.772 |
1 |
1 |
0 |
0.000 |
40 |
|
F |
17 |
4 |
17193 |
x |
F |
x-1,y,z |
1_455 |
7 |
3 |
17193 |
77.3 |
1.2 |
0.737 |
1 |
2 |
0 |
0.000 |
| Average: |
84.4 |
1.4 |
0.755 |
1 |
2 |
0 |
0.000 |
| 21 |
41 |
|
[HEM]H:405 |
25 |
1 |
845 |
◊ |
[ZMQ]G:99 |
x,y,z |
1_555 |
6 |
1 |
965 |
89.6 |
1.5 |
0.994 |
0 |
0 |
0 |
0.000 |
42 |
|
[HEM]B:405 |
24 |
1 |
842 |
◊ |
[ZMQ]A:99 |
x,y,z |
1_555 |
7 |
1 |
948 |
83.8 |
1.2 |
0.984 |
0 |
0 |
0 |
0.000 |
| Average: |
86.7 |
1.4 |
0.989 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[HEM]D:405 |
26 |
1 |
845 |
◊ |
[ZMQ]C:99 |
x,y,z |
1_555 |
7 |
1 |
947 |
87.7 |
1.6 |
0.991 |
0 |
0 |
0 |
0.000 |
44 |
|
[HEM]F:405 |
24 |
1 |
842 |
◊ |
[ZMQ]E:99 |
x,y,z |
1_555 |
8 |
1 |
949 |
87.7 |
1.5 |
0.984 |
0 |
0 |
0 |
0.000 |
| Average: |
87.7 |
1.5 |
0.987 |
0 |
0 |
0 |
0.000 |
| 23 |
45 |
|
[HTG]A:101 |
4 |
1 |
283 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
5235 |
76.8 |
1.6 |
0.173 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
[ZMQ]C:99 |
7 |
1 |
947 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
5292 |
75.1 |
-0.8 |
0.512 |
0 |
0 |
0 |
0.026 |
47 |
|
[ZMQ]G:99 |
7 |
1 |
965 |
cf |
G |
x,y,z |
1_555 |
11 |
3 |
5243 |
73.4 |
-0.2 |
0.581 |
0 |
0 |
0 |
0.026 |
48 |
|
[ZMQ]A:99 |
7 |
1 |
948 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
5235 |
70.2 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.026 |
49 |
|
[ZMQ]E:99 |
7 |
1 |
949 |
cf |
E |
x,y,z |
1_555 |
9 |
3 |
5256 |
69.6 |
-0.4 |
0.544 |
0 |
0 |
0 |
0.026 |
| Average: |
72.1 |
-0.4 |
0.545 |
0 |
0 |
0 |
0.026 |
| 25 |
50 |
|
[CL]F:418 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
17193 |
68.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.198 |
51 |
|
[CL]B:416 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17493 |
65.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
67.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.198 |
| 26 |
52 |
|
C |
8 |
2 |
5292 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
2 |
5243 |
41.7 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
53 |
|
C |
5 |
2 |
5292 |
◊ |
G |
x-1,y,z-1 |
1_454 |
7 |
2 |
5243 |
38.9 |
0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
| Average: |
40.3 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
[HTG]C:100 |
3 |
1 |
321 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17522 |
35.2 |
0.8 |
0.484 |
0 |
0 |
0 |
0.000 |
| 28 |
55 |
|
C |
1 |
1 |
5292 |
f |
[HTG]H:417 |
x,y,z-1 |
1_554 |
4 |
1 |
294 |
33.8 |
0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
| 29 |
56 |
|
[HTG]D:417 |
4 |
1 |
235 |
f |
G |
x-1,y,z-1 |
1_454 |
2 |
2 |
5243 |
32.9 |
1.1 |
0.244 |
0 |
0 |
0 |
0.000 |
| 30 |
57 |
|
[HTG]G:100 |
3 |
1 |
322 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
17286 |
31.9 |
0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
58 |
|
[HTG]E:100 |
3 |
1 |
323 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
17193 |
31.2 |
0.7 |
0.484 |
0 |
0 |
0 |
0.000 |
59 |
|
[HTG]A:100 |
3 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17493 |
29.2 |
0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
| Average: |
30.8 |
0.7 |
0.465 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
H |
2 |
2 |
17286 |
x |
H |
x-1,y,z |
1_455 |
3 |
2 |
17286 |
18.5 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
1 |
1 |
17522 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
17522 |
3.5 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 32 |
62 |
|
F |
1 |
1 |
17193 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
5292 |
15.6 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
| 33 |
63 |
|
B |
2 |
2 |
17493 |
f |
[HTG]A:101 |
x-1,y,z |
1_455 |
2 |
1 |
283 |
8.0 |
0.2 |
0.110 |
0 |
0 |
0 |
0.000 |
|