## |
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 |
|
C |
476 |
117 |
25531 |
◊ |
A |
x,y,z |
1_555 |
467 |
113 |
26277 |
4433.1 |
-45.6 |
0.134 |
52 |
9 |
0 |
0.206 |
2 |
|
D |
475 |
115 |
25886 |
◊ |
B |
x,y,z |
1_555 |
475 |
115 |
25702 |
4411.2 |
-45.6 |
0.101 |
48 |
8 |
0 |
0.206 |
Average: |
4422.1 |
-45.6 |
0.118 |
50 |
9 |
0 |
0.206 |
2 |
3 |
|
D |
431 |
101 |
25886 |
◊ |
C |
x,y,z |
1_555 |
426 |
97 |
25531 |
3780.2 |
-44.3 |
0.065 |
52 |
23 |
0 |
0.206 |
4 |
|
B |
427 |
99 |
25702 |
◊ |
A |
x,y,z |
1_555 |
417 |
98 |
26277 |
3764.6 |
-44.1 |
0.066 |
47 |
23 |
0 |
0.206 |
Average: |
3772.4 |
-44.2 |
0.065 |
50 |
23 |
0 |
0.206 |
3 |
5 |
|
D |
198 |
55 |
25886 |
◊ |
A |
x,y,z |
1_555 |
196 |
54 |
26277 |
1879.4 |
-21.6 |
0.122 |
21 |
2 |
0 |
0.105 |
6 |
|
C |
204 |
56 |
25531 |
◊ |
B |
x,y,z |
1_555 |
197 |
57 |
25702 |
1859.8 |
-21.8 |
0.135 |
21 |
2 |
0 |
0.105 |
Average: |
1869.6 |
-21.7 |
0.129 |
21 |
2 |
0 |
0.105 |
4 |
7 |
|
A |
75 |
20 |
26277 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
83 |
27 |
25531 |
686.4 |
-5.3 |
0.515 |
6 |
1 |
0 |
0.000 |
5 |
8 |
|
[HEM]B:601 |
43 |
1 |
811 |
f |
B |
x,y,z |
1_555 |
95 |
31 |
25702 |
604.7 |
-14.3 |
0.740 |
4 |
0 |
0 |
0.114 |
9 |
|
[HEM]A:601 |
43 |
1 |
817 |
cf |
A |
x,y,z |
1_555 |
100 |
35 |
26277 |
604.5 |
-14.6 |
0.737 |
4 |
0 |
0 |
0.114 |
10 |
|
[HEM]C:601 |
43 |
1 |
816 |
cf |
C |
x,y,z |
1_555 |
98 |
33 |
25531 |
603.4 |
-16.1 |
0.710 |
4 |
0 |
0 |
0.114 |
11 |
|
[HEM]D:602 |
43 |
1 |
812 |
cf |
D |
x,y,z |
1_555 |
99 |
32 |
25886 |
599.4 |
-14.3 |
0.740 |
4 |
0 |
0 |
0.114 |
Average: |
603.0 |
-14.8 |
0.732 |
4 |
0 |
0 |
0.114 |
6 |
12 |
|
[NDP]D:603 |
46 |
1 |
798 |
f |
D |
x,y,z |
1_555 |
69 |
25 |
25886 |
561.7 |
-2.8 |
0.532 |
12 |
0 |
0 |
0.054 |
13 |
|
[NDP]B:602 |
45 |
1 |
791 |
f |
B |
x,y,z |
1_555 |
66 |
25 |
25702 |
554.2 |
-2.6 |
0.551 |
13 |
0 |
0 |
0.054 |
14 |
|
[NDP]A:602 |
45 |
1 |
795 |
f |
A |
x,y,z |
1_555 |
67 |
25 |
26277 |
552.1 |
-2.8 |
0.540 |
12 |
0 |
0 |
0.054 |
15 |
|
[NDP]C:602 |
43 |
1 |
788 |
f |
C |
x,y,z |
1_555 |
64 |
25 |
25531 |
551.0 |
-2.4 |
0.581 |
12 |
0 |
0 |
0.054 |
Average: |
554.7 |
-2.6 |
0.551 |
12 |
0 |
0 |
0.054 |
7 |
16 |
|
A |
23 |
8 |
26277 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
11 |
25886 |
239.3 |
1.6 |
0.856 |
2 |
1 |
0 |
0.000 |
17 |
|
B |
8 |
5 |
25702 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
7 |
25531 |
74.5 |
-0.4 |
0.598 |
0 |
0 |
0 |
0.000 |
Average: |
156.9 |
0.6 |
0.727 |
1 |
1 |
0 |
0.000 |
8 |
18 |
|
A |
15 |
6 |
26277 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
25 |
7 |
25531 |
161.1 |
3.0 |
0.934 |
1 |
2 |
0 |
0.000 |
9 |
19 |
|
[GOL]A:608 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
26277 |
128.2 |
-0.8 |
0.438 |
2 |
0 |
0 |
0.006 |
10 |
20 |
|
[GOL]A:607 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
26277 |
122.2 |
0.9 |
0.681 |
4 |
0 |
0 |
0.003 |
11 |
21 |
|
[K]A:609 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
26277 |
121.8 |
-105.2 |
0.000 |
0 |
0 |
0 |
0.708 |
22 |
|
[K]C:605 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
25531 |
121.5 |
-106.2 |
0.000 |
0 |
0 |
0 |
0.708 |
23 |
|
[K]D:606 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
25886 |
121.0 |
-106.0 |
0.000 |
0 |
0 |
0 |
0.708 |
24 |
|
[K]B:604 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
25702 |
120.9 |
-105.5 |
0.000 |
0 |
0 |
0 |
0.708 |
Average: |
121.3 |
-105.7 |
0.000 |
0 |
0 |
0 |
0.708 |
12 |
25 |
|
[GOL]D:605 |
5 |
1 |
212 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
25886 |
118.8 |
-0.0 |
0.714 |
2 |
0 |
0 |
0.003 |
13 |
26 |
|
[GOL]A:603 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
26277 |
117.6 |
-0.3 |
0.585 |
2 |
0 |
0 |
0.004 |
14 |
27 |
|
[GOL]B:603 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
25702 |
117.2 |
-0.1 |
0.646 |
2 |
0 |
0 |
0.003 |
15 |
28 |
|
A |
12 |
2 |
26277 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
12 |
4 |
25702 |
115.7 |
-1.3 |
0.395 |
2 |
0 |
0 |
0.000 |
16 |
29 |
|
[GOL]A:604 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
24 |
5 |
26277 |
113.8 |
-1.1 |
0.484 |
1 |
0 |
0 |
0.005 |
17 |
30 |
|
[GOL]C:603 |
5 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
25531 |
113.2 |
-0.8 |
0.525 |
2 |
0 |
0 |
0.006 |
18 |
31 |
|
[GOL]D:604 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
25886 |
104.2 |
-0.1 |
0.574 |
3 |
0 |
0 |
0.005 |
19 |
32 |
|
[GOL]C:604 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
25531 |
90.8 |
-0.1 |
0.623 |
2 |
0 |
0 |
0.003 |
20 |
33 |
|
[GOL]A:606 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
26277 |
88.8 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.004 |
34 |
|
[GOL]C:604 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
25886 |
84.5 |
-1.1 |
0.459 |
0 |
0 |
0 |
0.004 |
Average: |
86.6 |
-0.7 |
0.507 |
1 |
0 |
0 |
0.004 |
21 |
35 |
|
[GOL]A:606 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
25702 |
86.7 |
-0.9 |
0.447 |
3 |
0 |
0 |
0.007 |
22 |
36 |
|
D |
8 |
4 |
25886 |
◊ |
C |
-x+5/2,-y+1,z-1/2 |
2_764 |
9 |
4 |
25531 |
86.6 |
1.6 |
0.892 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[GOL]A:605 |
6 |
1 |
216 |
f |
D |
x-1,y,z |
1_455 |
11 |
3 |
25886 |
76.6 |
-1.1 |
0.405 |
0 |
0 |
0 |
0.004 |
24 |
38 |
|
[HEM]A:601 |
8 |
1 |
817 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
25702 |
75.6 |
-1.7 |
0.600 |
0 |
0 |
0 |
0.010 |
39 |
|
[HEM]D:602 |
7 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
25531 |
75.5 |
-1.8 |
0.598 |
0 |
0 |
0 |
0.010 |
40 |
|
[HEM]B:601 |
6 |
1 |
811 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
26277 |
73.3 |
-1.7 |
0.595 |
0 |
0 |
0 |
0.010 |
41 |
|
[HEM]C:601 |
7 |
1 |
816 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
25886 |
72.5 |
-1.7 |
0.551 |
0 |
0 |
0 |
0.010 |
Average: |
74.2 |
-1.7 |
0.586 |
0 |
0 |
0 |
0.010 |
25 |
42 |
|
D |
5 |
2 |
25886 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
12 |
5 |
25702 |
68.7 |
1.1 |
0.860 |
1 |
1 |
0 |
0.000 |
26 |
43 |
|
A |
7 |
4 |
26277 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
25886 |
59.3 |
-1.2 |
0.162 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
C |
9 |
4 |
25531 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
5 |
25702 |
59.3 |
0.6 |
0.788 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[GOL]A:605 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
26277 |
51.5 |
-0.8 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
C |
6 |
2 |
25531 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
25886 |
41.9 |
-0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[GOL]A:604 |
4 |
1 |
221 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
25886 |
36.6 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[CL]B:605 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
26277 |
35.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
49 |
|
[CL]D:601 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
25531 |
34.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
50 |
|
[CL]B:605 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
25886 |
34.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
51 |
|
[CL]D:601 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
25702 |
33.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.026 |
32 |
52 |
|
[CL]D:601 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
26277 |
26.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
53 |
|
[CL]B:605 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
25531 |
26.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
54 |
|
[CL]D:601 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
25886 |
25.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
55 |
|
[CL]B:605 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
25702 |
24.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
25.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
33 |
56 |
|
[GOL]A:603 |
2 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
25702 |
16.0 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
[GOL]D:605 |
1 |
1 |
212 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
25531 |
10.9 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
35 |
58 |
|
[GOL]B:603 |
1 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
26277 |
7.9 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
36 |
59 |
|
C |
2 |
1 |
25531 |
x |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
25531 |
7.6 |
-0.2 |
0.422 |
0 |
0 |
0 |
0.000 |
37 |
60 |
|
[GOL]A:607 |
1 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
25702 |
4.7 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
[GOL]C:603 |
2 |
1 |
213 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
25886 |
4.4 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[GOL]A:606 |
1 |
1 |
218 |
◊ |
[GOL]A:603 |
x,y,z |
1_555 |
1 |
1 |
215 |
3.7 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[GOL]A:605 |
1 |
1 |
216 |
f |
[GOL]D:604 |
x-1,y,z |
1_455 |
1 |
1 |
217 |
2.4 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
41 |
64 |
|
[GOL]A:608 |
1 |
1 |
218 |
f |
[NDP]A:602 |
x,y,z |
1_555 |
2 |
1 |
795 |
2.3 |
0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
42 |
65 |
|
[K]A:609 |
1 |
1 |
216 |
f |
[NDP]A:602 |
x,y,z |
1_555 |
1 |
1 |
795 |
1.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
66 |
|
[K]B:604 |
1 |
1 |
216 |
f |
[NDP]B:602 |
x,y,z |
1_555 |
1 |
1 |
791 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
0.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
|