| ## |
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 |
88 |
25 |
17606 |
◊ |
B |
x,y,z |
1_555 |
92 |
25 |
17463 |
824.2 |
-6.5 |
0.305 |
2 |
2 |
0 |
0.000 |
2 |
|
F |
90 |
26 |
17293 |
◊ |
H |
x,y-1,z-1 |
1_544 |
89 |
25 |
17749 |
781.1 |
-8.2 |
0.200 |
4 |
1 |
0 |
0.000 |
| Average: |
802.6 |
-7.3 |
0.252 |
3 |
2 |
0 |
0.000 |
| 2 |
3 |
|
[ZMP]A:99 |
35 |
1 |
914 |
◊ |
B |
x,y,z |
1_555 |
84 |
31 |
17463 |
617.5 |
2.4 |
0.240 |
7 |
0 |
0 |
0.000 |
4 |
|
[ZMP]E:99 |
35 |
1 |
916 |
◊ |
F |
x,y,z |
1_555 |
86 |
32 |
17293 |
615.1 |
2.0 |
0.262 |
7 |
0 |
0 |
0.000 |
5 |
|
[ZMP]G:99 |
35 |
1 |
922 |
◊ |
H |
x,y,z |
1_555 |
84 |
32 |
17749 |
612.6 |
3.4 |
0.323 |
5 |
0 |
0 |
0.000 |
6 |
|
[ZMP]C:99 |
35 |
1 |
923 |
◊ |
D |
x,y,z |
1_555 |
83 |
33 |
17606 |
612.3 |
1.7 |
0.208 |
6 |
0 |
0 |
0.000 |
| Average: |
614.4 |
2.4 |
0.258 |
6 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[HEM]H:405 |
43 |
1 |
847 |
f |
H |
x,y,z |
1_555 |
86 |
33 |
17749 |
588.7 |
-23.8 |
0.179 |
6 |
0 |
0 |
0.100 |
8 |
|
[HEM]B:405 |
43 |
1 |
842 |
f |
B |
x,y,z |
1_555 |
81 |
33 |
17463 |
584.2 |
-23.8 |
0.160 |
6 |
0 |
0 |
0.100 |
| Average: |
586.4 |
-23.8 |
0.169 |
6 |
0 |
0 |
0.100 |
| 4 |
9 |
|
D |
51 |
16 |
17606 |
◊ |
C |
x,y,z |
1_555 |
56 |
18 |
5254 |
585.1 |
-4.1 |
0.384 |
8 |
2 |
0 |
0.000 |
10 |
|
H |
55 |
16 |
17749 |
◊ |
G |
x,y,z |
1_555 |
56 |
16 |
5236 |
580.5 |
-3.0 |
0.432 |
10 |
5 |
0 |
0.000 |
11 |
|
B |
58 |
17 |
17463 |
◊ |
A |
x,y,z |
1_555 |
59 |
17 |
5251 |
575.6 |
-4.0 |
0.379 |
8 |
2 |
0 |
0.000 |
12 |
|
F |
58 |
17 |
17293 |
◊ |
E |
x,y,z |
1_555 |
57 |
17 |
5221 |
564.4 |
-3.1 |
0.449 |
9 |
5 |
0 |
0.000 |
| Average: |
576.4 |
-3.6 |
0.411 |
9 |
4 |
0 |
0.000 |
| 5 |
13 |
|
[HEM]F:405 |
43 |
1 |
843 |
f |
F |
x,y,z |
1_555 |
82 |
32 |
17293 |
584.1 |
-23.9 |
0.190 |
5 |
0 |
0 |
0.103 |
14 |
|
[HEM]D:405 |
42 |
1 |
841 |
f |
D |
x,y,z |
1_555 |
85 |
33 |
17606 |
581.4 |
-24.7 |
0.121 |
6 |
0 |
0 |
0.103 |
| Average: |
582.8 |
-24.3 |
0.155 |
6 |
0 |
0 |
0.103 |
| 6 |
15 |
|
C |
46 |
15 |
5254 |
◊ |
H |
x,y,z-1 |
1_554 |
44 |
13 |
17749 |
392.1 |
-2.8 |
0.434 |
3 |
0 |
0 |
0.000 |
16 |
|
D |
40 |
12 |
17606 |
◊ |
G |
x-1,y,z-1 |
1_454 |
45 |
16 |
5236 |
376.8 |
-3.8 |
0.308 |
2 |
0 |
0 |
0.000 |
| Average: |
384.5 |
-3.3 |
0.371 |
3 |
0 |
0 |
0.000 |
| 7 |
17 |
|
A |
36 |
8 |
5251 |
◊ |
D |
x,y-1,z |
1_545 |
44 |
15 |
17606 |
331.5 |
-2.3 |
0.277 |
5 |
0 |
0 |
0.000 |
18 |
|
E |
33 |
7 |
5221 |
◊ |
H |
x,y,z-1 |
1_554 |
39 |
14 |
17749 |
326.6 |
-0.8 |
0.449 |
6 |
0 |
0 |
0.000 |
19 |
|
F |
43 |
14 |
17293 |
◊ |
G |
x,y,z-1 |
1_554 |
34 |
9 |
5236 |
325.1 |
0.0 |
0.560 |
6 |
0 |
0 |
0.000 |
20 |
|
B |
44 |
14 |
17463 |
◊ |
C |
x,y-1,z |
1_545 |
33 |
10 |
5254 |
316.7 |
-1.8 |
0.320 |
5 |
0 |
0 |
0.000 |
| Average: |
325.0 |
-1.2 |
0.401 |
6 |
0 |
0 |
0.000 |
| 8 |
21 |
|
D |
39 |
12 |
17606 |
◊ |
H |
x-1,y,z |
1_455 |
33 |
7 |
17749 |
321.7 |
-1.5 |
0.506 |
2 |
1 |
0 |
0.000 |
| 9 |
22 |
|
[HTG]E:100 |
16 |
1 |
411 |
◊ |
E |
x,y,z |
1_555 |
38 |
14 |
5221 |
269.7 |
3.5 |
0.296 |
2 |
0 |
0 |
0.000 |
23 |
|
[HTG]G:100 |
15 |
1 |
393 |
◊ |
G |
x,y,z |
1_555 |
37 |
12 |
5236 |
246.8 |
3.2 |
0.356 |
2 |
0 |
0 |
0.000 |
24 |
|
[HTG]A:100 |
14 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
5251 |
238.0 |
1.9 |
0.318 |
2 |
0 |
0 |
0.000 |
| Average: |
251.5 |
2.9 |
0.323 |
2 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[HTG]C:100 |
15 |
1 |
392 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
5254 |
260.3 |
2.9 |
0.315 |
2 |
0 |
0 |
0.000 |
| 11 |
26 |
|
F |
29 |
6 |
17293 |
◊ |
E |
x-1,y,z |
1_455 |
25 |
6 |
5221 |
223.6 |
1.1 |
0.754 |
3 |
1 |
0 |
0.000 |
27 |
|
B |
22 |
5 |
17463 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
5 |
5251 |
205.8 |
-0.1 |
0.649 |
1 |
1 |
0 |
0.000 |
| Average: |
214.7 |
0.5 |
0.702 |
2 |
1 |
0 |
0.000 |
| 12 |
28 |
|
H |
28 |
8 |
17749 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
17606 |
216.6 |
0.2 |
0.611 |
2 |
1 |
0 |
0.000 |
| 13 |
29 |
|
[HTG]H:406 |
7 |
1 |
294 |
f |
H |
x,y,z |
1_555 |
36 |
13 |
17749 |
200.6 |
-0.7 |
0.316 |
0 |
0 |
0 |
0.003 |
| 14 |
30 |
|
F |
18 |
7 |
17293 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
17606 |
189.0 |
2.7 |
0.887 |
3 |
5 |
0 |
0.000 |
31 |
|
B |
16 |
6 |
17463 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
25 |
8 |
17749 |
164.6 |
1.5 |
0.799 |
1 |
1 |
0 |
0.000 |
| Average: |
176.8 |
2.1 |
0.843 |
2 |
3 |
0 |
0.000 |
| 15 |
32 |
|
F |
23 |
6 |
17293 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
17463 |
186.1 |
-0.3 |
0.611 |
1 |
0 |
0 |
0.000 |
33 |
|
B |
19 |
5 |
17463 |
◊ |
F |
x-1,y,z |
1_455 |
17 |
6 |
17293 |
144.1 |
0.5 |
0.679 |
1 |
0 |
0 |
0.000 |
| Average: |
165.1 |
0.1 |
0.645 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[HTG]D:406 |
5 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
17606 |
148.9 |
3.0 |
0.271 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[HTG]F:406 |
5 |
1 |
241 |
f |
F |
x,y,z |
1_555 |
25 |
9 |
17293 |
140.2 |
1.4 |
0.459 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
E |
14 |
5 |
5221 |
◊ |
G |
x,y,z-1 |
1_554 |
17 |
8 |
5236 |
115.2 |
-0.0 |
0.627 |
3 |
0 |
0 |
0.000 |
37 |
|
A |
16 |
5 |
5251 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
5254 |
87.7 |
1.2 |
0.781 |
0 |
0 |
0 |
0.000 |
| Average: |
101.4 |
0.6 |
0.704 |
2 |
0 |
0 |
0.000 |
| 19 |
38 |
|
[HTG]A:101 |
6 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
17463 |
101.5 |
2.0 |
0.059 |
0 |
0 |
0 |
0.000 |
| 20 |
39 |
|
F |
18 |
4 |
17293 |
x |
F |
x-1,y,z |
1_455 |
6 |
2 |
17293 |
85.1 |
1.3 |
0.746 |
2 |
2 |
0 |
0.000 |
40 |
|
B |
18 |
5 |
17463 |
x |
B |
x-1,y,z |
1_455 |
8 |
3 |
17463 |
81.3 |
1.1 |
0.753 |
1 |
2 |
0 |
0.000 |
| Average: |
83.2 |
1.2 |
0.750 |
2 |
2 |
0 |
0.000 |
| 21 |
41 |
|
[HEM]D:405 |
24 |
1 |
841 |
◊ |
[ZMP]C:99 |
x,y,z |
1_555 |
8 |
1 |
923 |
84.6 |
1.3 |
0.861 |
0 |
0 |
0 |
0.000 |
42 |
|
[HEM]F:405 |
24 |
1 |
843 |
◊ |
[ZMP]E:99 |
x,y,z |
1_555 |
7 |
1 |
916 |
82.9 |
1.2 |
0.881 |
0 |
0 |
0 |
0.000 |
| Average: |
83.7 |
1.2 |
0.871 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[HEM]B:405 |
23 |
1 |
842 |
◊ |
[ZMP]A:99 |
x,y,z |
1_555 |
7 |
1 |
914 |
82.4 |
1.1 |
0.891 |
0 |
0 |
0 |
0.000 |
44 |
|
[HEM]H:405 |
24 |
1 |
847 |
◊ |
[ZMP]G:99 |
x,y,z |
1_555 |
9 |
1 |
922 |
80.8 |
1.0 |
0.805 |
0 |
0 |
0 |
0.000 |
| Average: |
81.6 |
1.1 |
0.848 |
0 |
0 |
0 |
0.000 |
| 23 |
45 |
|
[ZMP]G:99 |
7 |
1 |
922 |
cf |
G |
x,y,z |
1_555 |
8 |
3 |
5236 |
72.2 |
0.9 |
0.456 |
0 |
0 |
0 |
0.000 |
46 |
|
[ZMP]C:99 |
7 |
1 |
923 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
5254 |
72.0 |
0.6 |
0.422 |
0 |
0 |
0 |
0.000 |
47 |
|
[ZMP]E:99 |
7 |
1 |
916 |
cf |
E |
x,y,z |
1_555 |
8 |
3 |
5221 |
69.6 |
0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
48 |
|
[ZMP]A:99 |
7 |
1 |
914 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
5251 |
68.5 |
0.6 |
0.409 |
0 |
0 |
0 |
0.000 |
| Average: |
70.6 |
0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
| 24 |
49 |
|
[HTG]A:101 |
4 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
5251 |
69.2 |
1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[CL]F:407 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
17293 |
69.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.030 |
51 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17463 |
65.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
67.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 26 |
52 |
|
H |
10 |
4 |
17749 |
x |
H |
x-1,y,z |
1_455 |
6 |
2 |
17749 |
55.8 |
1.2 |
0.797 |
1 |
0 |
0 |
0.000 |
| 27 |
53 |
|
C |
5 |
2 |
5254 |
◊ |
G |
x,y,z-1 |
1_554 |
8 |
2 |
5236 |
40.8 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
54 |
|
C |
4 |
2 |
5254 |
◊ |
G |
x-1,y,z-1 |
1_454 |
6 |
1 |
5236 |
31.9 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
| Average: |
36.4 |
0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
| 28 |
55 |
|
[HTG]E:100 |
3 |
1 |
411 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
17293 |
34.8 |
0.6 |
0.420 |
0 |
0 |
0 |
0.000 |
56 |
|
[HTG]A:100 |
3 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17463 |
34.3 |
0.6 |
0.441 |
0 |
0 |
0 |
0.000 |
57 |
|
[HTG]G:100 |
3 |
1 |
393 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
17749 |
30.7 |
0.7 |
0.443 |
0 |
0 |
0 |
0.000 |
| Average: |
33.3 |
0.6 |
0.434 |
0 |
0 |
0 |
0.000 |
| 29 |
58 |
|
[HTG]C:100 |
3 |
1 |
392 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
17606 |
32.8 |
0.7 |
0.432 |
0 |
0 |
0 |
0.000 |
| 30 |
59 |
|
[HTG]D:406 |
4 |
1 |
236 |
f |
G |
x-1,y,z-1 |
1_454 |
1 |
1 |
5236 |
31.8 |
1.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
C |
1 |
1 |
5254 |
◊ |
[HTG]H:406 |
x,y,z-1 |
1_554 |
3 |
1 |
294 |
31.7 |
0.0 |
0.629 |
1 |
0 |
0 |
0.000 |
| 32 |
61 |
|
B |
2 |
1 |
17463 |
◊ |
G |
x-1,y,z-1 |
1_454 |
2 |
1 |
5236 |
12.0 |
0.5 |
0.803 |
0 |
0 |
0 |
0.000 |
62 |
|
F |
2 |
1 |
17293 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
5254 |
8.9 |
0.2 |
0.456 |
0 |
0 |
0 |
0.000 |
| Average: |
10.5 |
0.3 |
0.629 |
0 |
0 |
0 |
0.000 |
| 33 |
63 |
|
C |
1 |
1 |
5254 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
5221 |
2.4 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
|