## |
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 |
103 |
26 |
17641 |
◊ |
B |
x,y,z |
1_555 |
97 |
25 |
17349 |
882.1 |
-5.5 |
0.393 |
3 |
2 |
0 |
0.000 |
2 |
|
F |
93 |
25 |
17353 |
◊ |
H |
x,y-1,z-1 |
1_544 |
85 |
23 |
17426 |
826.3 |
-5.6 |
0.361 |
3 |
1 |
0 |
0.000 |
Average: |
854.2 |
-5.6 |
0.377 |
3 |
2 |
0 |
0.000 |
2 |
3 |
|
[ZMO]A:99 |
37 |
1 |
966 |
◊ |
B |
x,y,z |
1_555 |
91 |
33 |
17349 |
652.7 |
-7.5 |
0.277 |
8 |
0 |
0 |
0.284 |
4 |
|
[ZMO]E:99 |
37 |
1 |
954 |
◊ |
F |
x,y,z |
1_555 |
89 |
34 |
17353 |
637.7 |
-6.4 |
0.314 |
7 |
0 |
0 |
0.284 |
5 |
|
[ZMO]C:99 |
37 |
1 |
958 |
◊ |
D |
x,y,z |
1_555 |
86 |
33 |
17641 |
636.7 |
-7.7 |
0.242 |
5 |
0 |
0 |
0.284 |
6 |
|
[ZMO]G:99 |
37 |
1 |
968 |
◊ |
H |
x,y,z |
1_555 |
88 |
32 |
17426 |
636.6 |
-6.1 |
0.364 |
6 |
0 |
0 |
0.284 |
Average: |
640.9 |
-6.9 |
0.299 |
7 |
0 |
0 |
0.284 |
3 |
7 |
|
H |
58 |
17 |
17426 |
◊ |
G |
x,y,z |
1_555 |
57 |
17 |
5075 |
601.1 |
-3.3 |
0.448 |
11 |
7 |
0 |
0.215 |
8 |
|
D |
54 |
16 |
17641 |
◊ |
C |
x,y,z |
1_555 |
60 |
18 |
5231 |
598.1 |
-3.5 |
0.440 |
8 |
3 |
0 |
0.215 |
9 |
|
B |
57 |
16 |
17349 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
5272 |
590.9 |
-4.4 |
0.337 |
6 |
3 |
0 |
0.215 |
10 |
|
F |
57 |
16 |
17353 |
◊ |
E |
x,y,z |
1_555 |
58 |
17 |
5194 |
575.8 |
-5.2 |
0.268 |
7 |
4 |
0 |
0.215 |
Average: |
591.5 |
-4.1 |
0.374 |
8 |
4 |
0 |
0.215 |
4 |
11 |
|
[HEM]D:405 |
43 |
1 |
846 |
f |
D |
x,y,z |
1_555 |
82 |
34 |
17641 |
583.9 |
-22.7 |
0.258 |
5 |
0 |
0 |
0.633 |
12 |
|
[HEM]F:405 |
42 |
1 |
841 |
f |
F |
x,y,z |
1_555 |
82 |
33 |
17353 |
572.9 |
-23.6 |
0.174 |
6 |
0 |
0 |
0.633 |
Average: |
578.4 |
-23.1 |
0.216 |
6 |
0 |
0 |
0.633 |
5 |
13 |
|
[HEM]H:405 |
42 |
1 |
844 |
f |
H |
x,y,z |
1_555 |
86 |
33 |
17426 |
580.6 |
-23.5 |
0.204 |
6 |
0 |
0 |
0.680 |
14 |
|
[HEM]B:405 |
43 |
1 |
844 |
f |
B |
x,y,z |
1_555 |
83 |
33 |
17349 |
580.1 |
-23.8 |
0.188 |
6 |
0 |
0 |
0.680 |
Average: |
580.4 |
-23.7 |
0.196 |
6 |
0 |
0 |
0.680 |
6 |
15 |
|
D |
48 |
14 |
17641 |
◊ |
G |
x-1,y,z-1 |
1_454 |
46 |
16 |
5075 |
398.1 |
-3.7 |
0.320 |
3 |
0 |
0 |
0.000 |
16 |
|
C |
49 |
17 |
5231 |
◊ |
H |
x,y,z-1 |
1_554 |
43 |
12 |
17426 |
384.4 |
-4.6 |
0.230 |
2 |
0 |
0 |
0.000 |
Average: |
391.2 |
-4.2 |
0.275 |
3 |
0 |
0 |
0.000 |
7 |
17 |
|
A |
40 |
9 |
5272 |
◊ |
D |
x,y-1,z |
1_545 |
46 |
16 |
17641 |
350.9 |
-1.7 |
0.399 |
6 |
0 |
0 |
0.000 |
18 |
|
E |
35 |
8 |
5194 |
◊ |
H |
x,y,z-1 |
1_554 |
43 |
15 |
17426 |
344.7 |
-0.6 |
0.479 |
6 |
0 |
0 |
0.000 |
19 |
|
F |
40 |
13 |
17353 |
◊ |
G |
x,y,z-1 |
1_554 |
31 |
8 |
5075 |
308.2 |
-1.2 |
0.378 |
6 |
0 |
0 |
0.000 |
20 |
|
B |
38 |
12 |
17349 |
◊ |
C |
x,y-1,z |
1_545 |
33 |
8 |
5231 |
303.8 |
-1.9 |
0.305 |
5 |
0 |
0 |
0.000 |
Average: |
326.9 |
-1.4 |
0.390 |
6 |
0 |
0 |
0.000 |
8 |
21 |
|
H |
37 |
12 |
17426 |
◊ |
D |
x,y,z |
1_555 |
34 |
7 |
17641 |
287.7 |
-0.8 |
0.586 |
3 |
0 |
0 |
0.000 |
9 |
22 |
|
[HTG]A:100 |
15 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
33 |
12 |
5272 |
253.8 |
2.6 |
0.294 |
2 |
0 |
0 |
0.078 |
23 |
|
[HTG]E:100 |
14 |
1 |
367 |
f |
E |
x,y,z |
1_555 |
35 |
13 |
5194 |
239.7 |
2.1 |
0.305 |
2 |
0 |
0 |
0.078 |
24 |
|
[HTG]C:100 |
12 |
1 |
321 |
f |
C |
x,y,z |
1_555 |
32 |
10 |
5231 |
201.6 |
-2.0 |
0.336 |
2 |
0 |
0 |
0.078 |
Average: |
231.7 |
0.9 |
0.311 |
2 |
0 |
0 |
0.078 |
10 |
25 |
|
B |
21 |
5 |
17349 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
5 |
5272 |
215.8 |
-0.5 |
0.587 |
1 |
1 |
0 |
0.000 |
26 |
|
F |
22 |
6 |
17353 |
◊ |
E |
x-1,y,z |
1_455 |
25 |
6 |
5194 |
207.2 |
-0.2 |
0.634 |
4 |
1 |
0 |
0.000 |
Average: |
211.5 |
-0.3 |
0.610 |
3 |
1 |
0 |
0.000 |
11 |
27 |
|
D |
26 |
11 |
17641 |
◊ |
H |
x-1,y,z |
1_455 |
27 |
7 |
17426 |
212.6 |
-0.5 |
0.582 |
2 |
1 |
0 |
0.000 |
12 |
28 |
|
[HTG]G:100 |
12 |
1 |
320 |
f |
G |
x,y,z |
1_555 |
28 |
10 |
5075 |
198.9 |
-2.0 |
0.313 |
2 |
0 |
0 |
0.105 |
13 |
29 |
|
[HTG]D:417 |
6 |
1 |
266 |
◊ |
D |
x,y,z |
1_555 |
36 |
12 |
17641 |
186.0 |
0.8 |
0.332 |
0 |
0 |
0 |
0.000 |
30 |
|
[HTG]H:417 |
6 |
1 |
269 |
◊ |
H |
x,y,z |
1_555 |
34 |
12 |
17426 |
184.6 |
1.5 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
185.3 |
1.2 |
0.326 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
B |
21 |
8 |
17349 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
23 |
7 |
17426 |
176.8 |
2.5 |
0.866 |
1 |
2 |
0 |
0.000 |
32 |
|
F |
19 |
7 |
17353 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
17641 |
163.5 |
2.2 |
0.863 |
1 |
1 |
0 |
0.000 |
Average: |
170.2 |
2.4 |
0.865 |
1 |
2 |
0 |
0.000 |
15 |
33 |
|
B |
22 |
5 |
17349 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
8 |
17353 |
175.6 |
0.6 |
0.685 |
1 |
0 |
0 |
0.000 |
34 |
|
F |
22 |
5 |
17353 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
17349 |
173.7 |
0.9 |
0.742 |
1 |
0 |
0 |
0.000 |
Average: |
174.6 |
0.8 |
0.713 |
1 |
0 |
0 |
0.000 |
16 |
35 |
|
[HTG]B:417 |
6 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
17349 |
149.0 |
3.5 |
0.382 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
A |
16 |
5 |
5272 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
5 |
5231 |
137.6 |
0.7 |
0.737 |
1 |
1 |
0 |
0.000 |
37 |
|
E |
16 |
5 |
5194 |
◊ |
G |
x,y,z-1 |
1_554 |
16 |
5 |
5075 |
137.3 |
0.2 |
0.660 |
1 |
1 |
0 |
0.000 |
Average: |
137.5 |
0.4 |
0.699 |
1 |
1 |
0 |
0.000 |
18 |
38 |
|
[HEM]F:405 |
24 |
1 |
841 |
◊ |
[ZMO]E:99 |
x,y,z |
1_555 |
7 |
1 |
954 |
89.9 |
1.8 |
0.992 |
0 |
0 |
0 |
0.000 |
39 |
|
[HEM]D:405 |
26 |
1 |
846 |
◊ |
[ZMO]C:99 |
x,y,z |
1_555 |
7 |
1 |
958 |
86.8 |
1.5 |
0.988 |
0 |
0 |
0 |
0.000 |
Average: |
88.4 |
1.6 |
0.990 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
B |
20 |
5 |
17349 |
x |
B |
x-1,y,z |
1_455 |
7 |
3 |
17349 |
87.8 |
1.4 |
0.775 |
1 |
1 |
0 |
0.000 |
41 |
|
F |
16 |
4 |
17353 |
x |
F |
x-1,y,z |
1_455 |
7 |
3 |
17353 |
76.9 |
1.1 |
0.764 |
1 |
1 |
0 |
0.000 |
Average: |
82.3 |
1.3 |
0.769 |
1 |
1 |
0 |
0.000 |
20 |
42 |
|
[HEM]H:405 |
24 |
1 |
844 |
◊ |
[ZMO]G:99 |
x,y,z |
1_555 |
10 |
1 |
968 |
85.6 |
1.3 |
0.973 |
0 |
0 |
0 |
0.000 |
43 |
|
[HEM]B:405 |
23 |
1 |
844 |
◊ |
[ZMO]A:99 |
x,y,z |
1_555 |
9 |
1 |
966 |
82.1 |
1.3 |
0.972 |
0 |
0 |
0 |
0.000 |
Average: |
83.9 |
1.3 |
0.973 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
[ZMO]C:99 |
7 |
1 |
958 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
5231 |
75.3 |
-1.0 |
0.483 |
0 |
0 |
0 |
0.028 |
45 |
|
[ZMO]G:99 |
6 |
1 |
968 |
cf |
G |
x,y,z |
1_555 |
11 |
4 |
5075 |
71.5 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.028 |
46 |
|
[ZMO]A:99 |
8 |
1 |
966 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
5272 |
70.1 |
-0.2 |
0.567 |
0 |
0 |
0 |
0.028 |
47 |
|
[ZMO]E:99 |
7 |
1 |
954 |
cf |
E |
x,y,z |
1_555 |
9 |
3 |
5194 |
69.3 |
-0.3 |
0.550 |
0 |
0 |
0 |
0.028 |
Average: |
71.5 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.028 |
22 |
48 |
|
[HTG]G:100 |
3 |
1 |
320 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
17426 |
37.5 |
0.7 |
0.491 |
0 |
0 |
0 |
0.000 |
23 |
49 |
|
[HTG]D:417 |
4 |
1 |
266 |
f |
G |
x-1,y,z-1 |
1_454 |
2 |
1 |
5075 |
35.3 |
0.3 |
0.548 |
0 |
0 |
0 |
0.000 |
24 |
50 |
|
[HTG]C:100 |
3 |
1 |
321 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17641 |
32.4 |
0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
51 |
|
[HTG]E:100 |
3 |
1 |
367 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
17353 |
30.6 |
0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
52 |
|
[HTG]A:100 |
3 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17349 |
28.5 |
0.6 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
C |
1 |
1 |
5231 |
f |
[HTG]H:417 |
x,y,z-1 |
1_554 |
2 |
1 |
269 |
31.8 |
0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
C |
6 |
3 |
5231 |
◊ |
G |
x-1,y,z-1 |
1_454 |
6 |
3 |
5075 |
28.0 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
3 |
1 |
5231 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
2 |
5075 |
17.5 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
Average: |
22.8 |
-0.2 |
0.531 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[HTG]B:417 |
2 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
5272 |
24.5 |
-0.8 |
0.419 |
0 |
0 |
0 |
0.020 |
28 |
57 |
|
D |
1 |
1 |
17641 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
17641 |
10.1 |
0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
58 |
|
H |
1 |
1 |
17426 |
x |
H |
x-1,y,z |
1_455 |
1 |
1 |
17426 |
0.1 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
5.1 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
B |
1 |
1 |
17349 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
17641 |
5.4 |
0.4 |
0.888 |
0 |
0 |
0 |
0.000 |
30 |
60 |
|
C |
1 |
1 |
5231 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
5194 |
4.6 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
F |
1 |
1 |
17353 |
◊ |
D |
x,y-1,z-1 |
1_544 |
1 |
1 |
17641 |
3.5 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
32 |
62 |
|
B |
1 |
1 |
17349 |
◊ |
[HTG]B:417 |
x-1,y,z |
1_455 |
1 |
1 |
263 |
3.2 |
-0.2 |
0.251 |
0 |
0 |
0 |
0.000 |
|