| ## |
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 |
|
B |
377 |
100 |
29943 |
◊ |
A |
x,y,z |
1_555 |
377 |
102 |
29710 |
3552.1 |
-28.4 |
0.009 |
34 |
9 |
0 |
0.123 |
| 2 |
2 |
|
A |
99 |
29 |
29710 |
◊ |
A |
-x,y,-z |
2_555 |
100 |
30 |
29710 |
920.5 |
-14.0 |
0.005 |
6 |
4 |
0 |
0.044 |
| 3 |
3 |
|
[HEM]B:800 |
43 |
1 |
847 |
f |
B |
x,y,z |
1_555 |
90 |
31 |
29943 |
635.4 |
-21.1 |
0.421 |
5 |
0 |
0 |
0.127 |
4 |
|
[HEM]A:800 |
43 |
1 |
847 |
f |
A |
x,y,z |
1_555 |
90 |
31 |
29710 |
633.7 |
-21.0 |
0.431 |
5 |
0 |
0 |
0.127 |
| Average: |
634.5 |
-21.0 |
0.426 |
5 |
0 |
0 |
0.127 |
| 4 |
5 |
|
B |
55 |
17 |
29943 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
52 |
18 |
29943 |
516.7 |
-7.4 |
0.006 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
39 |
12 |
29710 |
◊ |
A |
-x,y,-z+1 |
2_556 |
39 |
12 |
29710 |
333.6 |
-3.3 |
0.194 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
32 |
8 |
29710 |
x |
A |
x,y-1,z |
1_545 |
31 |
11 |
29710 |
288.6 |
-0.3 |
0.468 |
1 |
6 |
0 |
0.000 |
| 7 |
8 |
|
[SO4]A:734 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
29710 |
114.2 |
-16.5 |
0.758 |
6 |
0 |
0 |
0.099 |
| 8 |
9 |
|
[SO4]B:733 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
29943 |
112.2 |
-16.6 |
0.718 |
7 |
0 |
0 |
0.054 |
| 9 |
10 |
|
[CL]B:2015 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
29943 |
81.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
11 |
|
[CL]A:2013 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
29710 |
80.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
80.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| 10 |
12 |
|
[SO4]A:732 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
29710 |
80.9 |
-11.4 |
0.547 |
3 |
0 |
0 |
0.066 |
| 11 |
13 |
|
[CL]A:2012 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
29710 |
79.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| 12 |
14 |
|
[SO4]B:732 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
29943 |
78.4 |
-9.8 |
0.915 |
3 |
0 |
0 |
0.030 |
| 13 |
15 |
|
[CL]B:2016 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
29943 |
77.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.063 |
16 |
|
[CL]A:2004 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
29710 |
76.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
77.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.063 |
| 14 |
17 |
|
[CL]A:2014 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
29710 |
75.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.056 |
| 15 |
18 |
|
[CL]A:2005 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
29710 |
73.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| 16 |
19 |
|
[CL]A:2001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
29710 |
69.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.063 |
| 17 |
20 |
|
[CL]B:2008 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
29943 |
65.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.052 |
21 |
|
[CL]A:2009 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29710 |
65.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
65.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
22 |
|
[CL]A:2002 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
29710 |
63.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.044 |
23 |
|
[CL]B:2003 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
29943 |
62.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
63.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.044 |
| 19 |
24 |
|
[SO4]A:733 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29710 |
55.6 |
-8.4 |
0.576 |
1 |
0 |
0 |
0.045 |
| 20 |
25 |
|
[CL]A:2011 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
29710 |
55.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.037 |
| 21 |
26 |
|
[SO4]A:735 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
29943 |
53.5 |
-8.1 |
0.594 |
1 |
0 |
0 |
0.023 |
| 22 |
27 |
|
[CL]A:2007 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29710 |
52.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.039 |
28 |
|
[CL]A:2010 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
29943 |
52.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
52.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| 23 |
29 |
|
[CL]A:2006 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
29710 |
50.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 24 |
30 |
|
[SO4]A:733 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
29943 |
45.6 |
-4.1 |
0.976 |
2 |
0 |
0 |
0.014 |
| 25 |
31 |
|
[CL]A:2007 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
29943 |
45.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
|
[CL]A:2010 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
29710 |
45.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
45.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
| 26 |
33 |
|
[SO4]A:735 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
29710 |
45.3 |
-4.1 |
0.976 |
2 |
0 |
0 |
0.014 |
| 27 |
34 |
|
[CL]A:2006 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
2 |
29710 |
44.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 28 |
35 |
|
A |
9 |
3 |
29710 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
1 |
29943 |
44.2 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[CL]B:2003 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
29710 |
38.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
37 |
|
[CL]A:2002 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
29943 |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
38.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
| 30 |
38 |
|
[CL]A:2011 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
2 |
29710 |
35.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| 31 |
39 |
|
B |
9 |
4 |
29943 |
x |
B |
x,y-1,z |
1_545 |
5 |
3 |
29943 |
31.1 |
0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[CL]A:2009 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
29943 |
29.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
41 |
|
[CL]B:2008 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29710 |
29.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
29.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| 33 |
42 |
|
[CL]A:2011 |
1 |
1 |
125 |
◊ |
[CL]A:2011 |
-x,y,-z |
2_555 |
1 |
1 |
125 |
24.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 34 |
43 |
|
B |
2 |
1 |
29943 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
29710 |
11.2 |
0.3 |
0.739 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[CL]A:2014 |
1 |
1 |
125 |
f |
[CL]A:2001 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 36 |
45 |
|
[CL]A:2006 |
1 |
1 |
125 |
◊ |
[CL]A:2006 |
-x,y,-z |
2_555 |
1 |
1 |
125 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
|