| ## |
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 |
512 |
123 |
26404 |
◊ |
C |
x,y,z |
1_555 |
506 |
124 |
26298 |
5034.7 |
-44.0 |
0.031 |
71 |
20 |
0 |
0.610 |
2 |
|
B |
510 |
123 |
26378 |
◊ |
A |
x,y,z |
1_555 |
513 |
123 |
26438 |
5032.6 |
-47.0 |
0.017 |
72 |
17 |
0 |
0.610 |
| Average: |
5033.7 |
-45.5 |
0.024 |
72 |
19 |
0 |
0.610 |
| 2 |
3 |
|
D |
438 |
107 |
26404 |
◊ |
B |
x,y,z |
1_555 |
437 |
108 |
26378 |
3917.9 |
-40.4 |
0.027 |
59 |
22 |
0 |
0.538 |
4 |
|
C |
435 |
106 |
26298 |
◊ |
A |
x,y,z |
1_555 |
430 |
104 |
26438 |
3876.5 |
-38.7 |
0.032 |
57 |
22 |
0 |
0.538 |
| Average: |
3897.2 |
-39.5 |
0.029 |
58 |
22 |
0 |
0.538 |
| 3 |
5 |
|
D |
316 |
87 |
26404 |
◊ |
A |
x,y,z |
1_555 |
316 |
87 |
26438 |
2893.8 |
-14.8 |
0.417 |
58 |
14 |
0 |
0.434 |
6 |
|
C |
314 |
87 |
26298 |
◊ |
B |
x,y,z |
1_555 |
319 |
88 |
26378 |
2891.5 |
-14.7 |
0.418 |
59 |
15 |
0 |
0.434 |
| Average: |
2892.7 |
-14.7 |
0.417 |
59 |
15 |
0 |
0.434 |
| 4 |
7 |
|
[HEM]B:1517 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
95 |
29 |
26378 |
554.3 |
-19.2 |
0.472 |
5 |
0 |
0 |
0.410 |
8 |
|
[HEM]D:1517 |
43 |
1 |
821 |
f |
D |
x,y,z |
1_555 |
96 |
28 |
26404 |
553.8 |
-17.6 |
0.598 |
5 |
0 |
0 |
0.410 |
9 |
|
[HEM]A:1517 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
95 |
28 |
26438 |
552.7 |
-17.5 |
0.585 |
5 |
0 |
0 |
0.410 |
10 |
|
[HEM]C:1517 |
43 |
1 |
814 |
f |
C |
x,y,z |
1_555 |
97 |
29 |
26298 |
551.1 |
-17.6 |
0.586 |
5 |
0 |
0 |
0.410 |
| Average: |
553.0 |
-18.0 |
0.560 |
5 |
0 |
0 |
0.410 |
| 5 |
11 |
|
[NDP]A:1520 |
45 |
1 |
790 |
f |
A |
x,y,z |
1_555 |
70 |
23 |
26438 |
547.7 |
-1.8 |
0.594 |
7 |
0 |
0 |
0.108 |
12 |
|
[NDP]B:1518 |
45 |
1 |
791 |
f |
B |
x,y,z |
1_555 |
71 |
23 |
26378 |
544.1 |
-1.7 |
0.607 |
9 |
0 |
0 |
0.108 |
13 |
|
[NDP]C:1519 |
46 |
1 |
794 |
f |
C |
x,y,z |
1_555 |
69 |
23 |
26298 |
541.7 |
-2.5 |
0.563 |
6 |
0 |
0 |
0.108 |
14 |
|
[NDP]D:1518 |
45 |
1 |
789 |
f |
D |
x,y,z |
1_555 |
74 |
24 |
26404 |
539.0 |
-2.5 |
0.560 |
6 |
0 |
0 |
0.108 |
| Average: |
543.1 |
-2.1 |
0.581 |
7 |
0 |
0 |
0.108 |
| 6 |
15 |
|
D |
42 |
12 |
26404 |
◊ |
C |
-y,x-y+1,z |
2_565 |
43 |
12 |
26298 |
416.1 |
4.9 |
0.948 |
8 |
10 |
0 |
0.000 |
| 7 |
16 |
|
B |
20 |
7 |
26378 |
◊ |
D |
x-y,x,z-1/2 |
6_554 |
21 |
7 |
26404 |
177.2 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
D |
21 |
9 |
26404 |
x |
D |
-y,x-y,z |
2_555 |
23 |
10 |
26404 |
146.8 |
-1.0 |
0.504 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[BTB]B:1520 |
9 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
26378 |
145.6 |
4.1 |
0.340 |
3 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[BTB]B:1521 |
9 |
1 |
347 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
26438 |
143.2 |
4.1 |
0.325 |
3 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[BTB]C:1518 |
9 |
1 |
346 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
26298 |
143.1 |
3.5 |
0.259 |
3 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[BTB]D:1519 |
10 |
1 |
340 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
26404 |
139.9 |
3.7 |
0.202 |
2 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
16 |
4 |
26298 |
x |
C |
-y-1,x-y,z |
2_455 |
20 |
9 |
26298 |
139.5 |
1.1 |
0.770 |
2 |
2 |
0 |
0.000 |
| 14 |
23 |
|
[BTB]B:1521 |
10 |
1 |
347 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
26378 |
124.5 |
1.5 |
0.080 |
3 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[BTB]B:1520 |
10 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
26438 |
124.2 |
1.5 |
0.080 |
3 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[BTB]C:1518 |
10 |
1 |
346 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
26404 |
123.0 |
1.5 |
0.095 |
3 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[BTB]D:1519 |
9 |
1 |
340 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
26298 |
120.3 |
1.6 |
0.111 |
2 |
0 |
0 |
0.000 |
| 18 |
27 |
|
B |
16 |
6 |
26378 |
◊ |
A |
-x-1,-y,z-1/2 |
4_454 |
16 |
6 |
26438 |
97.6 |
-1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
A |
8 |
4 |
26438 |
◊ |
B |
x-y,x,z+1/2 |
6_555 |
10 |
5 |
26378 |
72.7 |
1.9 |
0.844 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[HEM]A:1517 |
7 |
1 |
819 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
26298 |
66.6 |
-1.5 |
0.576 |
0 |
0 |
0 |
0.024 |
30 |
|
[HEM]B:1517 |
8 |
1 |
821 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
26404 |
65.9 |
-1.5 |
0.600 |
0 |
0 |
0 |
0.024 |
31 |
|
[HEM]C:1517 |
6 |
1 |
814 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
26438 |
65.8 |
-1.5 |
0.565 |
0 |
0 |
0 |
0.024 |
32 |
|
[HEM]D:1517 |
8 |
1 |
821 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26378 |
65.6 |
-1.5 |
0.596 |
0 |
0 |
0 |
0.024 |
| Average: |
66.0 |
-1.5 |
0.584 |
0 |
0 |
0 |
0.024 |
| 21 |
33 |
|
[NO]C:1520 |
2 |
1 |
126 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
26298 |
60.4 |
-1.6 |
0.706 |
0 |
0 |
0 |
0.016 |
| 22 |
34 |
|
[NO]D:1520 |
2 |
1 |
126 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
26404 |
60.3 |
-1.6 |
0.697 |
0 |
0 |
0 |
0.017 |
| 23 |
35 |
|
[NO]A:1518 |
2 |
1 |
128 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
26438 |
60.3 |
-1.7 |
0.704 |
0 |
0 |
0 |
0.017 |
| 24 |
36 |
|
[NO]B:1522 |
2 |
1 |
126 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
26378 |
60.1 |
-1.6 |
0.700 |
0 |
0 |
0 |
0.016 |
| 25 |
37 |
|
A |
4 |
1 |
26438 |
◊ |
C |
-y,x-y+1,z |
2_565 |
5 |
1 |
26298 |
46.8 |
-0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
5 |
1 |
26404 |
◊ |
B |
-y,x-y+1,z |
2_565 |
4 |
1 |
26378 |
44.9 |
-0.6 |
0.327 |
0 |
0 |
0 |
0.000 |
| Average: |
45.9 |
-0.6 |
0.329 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
D |
4 |
1 |
26404 |
◊ |
B |
x-y,x,z+1/2 |
6_555 |
6 |
3 |
26378 |
44.0 |
-0.2 |
0.489 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[NO]B:1522 |
2 |
1 |
126 |
cf |
[HEM]B:1517 |
x,y,z |
1_555 |
15 |
1 |
821 |
40.0 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.015 |
| 28 |
41 |
|
[NO]D:1520 |
2 |
1 |
126 |
cf |
[HEM]D:1517 |
x,y,z |
1_555 |
15 |
1 |
821 |
39.9 |
-1.6 |
0.866 |
0 |
0 |
0 |
0.016 |
| 29 |
42 |
|
[NO]A:1518 |
2 |
1 |
128 |
cf |
[HEM]A:1517 |
x,y,z |
1_555 |
16 |
1 |
819 |
39.8 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.015 |
| 30 |
43 |
|
[NO]C:1520 |
2 |
1 |
126 |
cf |
[HEM]C:1517 |
x,y,z |
1_555 |
15 |
1 |
814 |
38.9 |
-1.4 |
1.000 |
0 |
0 |
0 |
0.014 |
| 31 |
44 |
|
[CL]B:1519 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
26438 |
34.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.074 |
45 |
|
[CL]A:1519 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
26298 |
34.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
46 |
|
[CL]B:1519 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26404 |
33.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
47 |
|
[CL]A:1519 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26378 |
33.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
34.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
| 32 |
48 |
|
[CL]A:1519 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
26404 |
26.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
49 |
|
[CL]B:1519 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
26298 |
25.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
50 |
|
[CL]A:1519 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
26438 |
25.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
51 |
|
[CL]B:1519 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
26378 |
25.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
25.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 33 |
52 |
|
B |
3 |
1 |
26378 |
◊ |
C |
-x-1,-y,z-1/2 |
4_454 |
1 |
1 |
26298 |
11.4 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
| 34 |
53 |
|
C |
1 |
1 |
26298 |
◊ |
B |
x-y,x,z+1/2 |
6_555 |
1 |
1 |
26378 |
8.0 |
-0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
| 35 |
54 |
|
A |
1 |
1 |
26438 |
◊ |
D |
x-y,x,z+1/2 |
6_555 |
3 |
1 |
26404 |
6.3 |
-0.2 |
0.384 |
0 |
0 |
0 |
0.000 |
|