## |
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 |
|
F |
236 |
57 |
12697 |
◊ |
E |
x,y,z |
1_555 |
261 |
74 |
21172 |
2395.5 |
-13.5 |
0.142 |
41 |
11 |
0 |
0.258 |
2 |
|
J |
233 |
57 |
12693 |
◊ |
I |
x,y,z |
1_555 |
256 |
74 |
21155 |
2389.6 |
-13.6 |
0.133 |
40 |
11 |
0 |
0.258 |
3 |
|
B |
233 |
58 |
12685 |
◊ |
A |
x,y,z |
1_555 |
253 |
72 |
21135 |
2385.7 |
-13.0 |
0.145 |
39 |
12 |
0 |
0.258 |
Average: |
2390.3 |
-13.4 |
0.140 |
40 |
11 |
0 |
0.258 |
2 |
4 |
|
C |
108 |
26 |
9260 |
◊ |
B |
x,y,z |
1_555 |
133 |
39 |
12685 |
1161.6 |
-11.0 |
0.429 |
12 |
1 |
0 |
0.117 |
5 |
|
K |
108 |
26 |
9265 |
◊ |
J |
x,y,z |
1_555 |
131 |
39 |
12693 |
1153.4 |
-11.0 |
0.405 |
11 |
1 |
0 |
0.117 |
6 |
|
G |
107 |
26 |
9259 |
◊ |
F |
x,y,z |
1_555 |
133 |
39 |
12697 |
1149.1 |
-11.0 |
0.426 |
11 |
1 |
0 |
0.117 |
Average: |
1154.7 |
-11.0 |
0.420 |
11 |
1 |
0 |
0.117 |
3 |
7 |
|
H |
120 |
35 |
7202 |
◊ |
G |
x,y,z |
1_555 |
100 |
27 |
9259 |
1101.3 |
-23.3 |
0.544 |
5 |
4 |
0 |
0.509 |
8 |
|
L |
119 |
35 |
7200 |
◊ |
K |
x,y,z |
1_555 |
100 |
27 |
9265 |
1098.6 |
-23.2 |
0.563 |
6 |
4 |
0 |
0.509 |
9 |
|
D |
121 |
35 |
7181 |
◊ |
C |
x,y,z |
1_555 |
100 |
27 |
9260 |
1090.1 |
-23.2 |
0.552 |
7 |
4 |
0 |
0.509 |
Average: |
1096.7 |
-23.2 |
0.553 |
6 |
4 |
0 |
0.509 |
4 |
10 |
|
[FAD]E:601 |
53 |
1 |
1006 |
cf |
E |
x,y,z |
1_555 |
101 |
45 |
21172 |
684.3 |
-7.6 |
0.475 |
27 |
0 |
0 |
0.160 |
11 |
|
[FAD]A:601 |
53 |
1 |
1002 |
cf |
A |
x,y,z |
1_555 |
101 |
44 |
21135 |
677.3 |
-8.5 |
0.353 |
27 |
0 |
0 |
0.160 |
12 |
|
[FAD]I:601 |
53 |
1 |
1000 |
cf |
I |
x,y,z |
1_555 |
100 |
43 |
21155 |
675.1 |
-8.0 |
0.458 |
28 |
0 |
0 |
0.160 |
Average: |
678.9 |
-8.0 |
0.429 |
27 |
0 |
0 |
0.160 |
5 |
13 |
|
L |
50 |
12 |
7200 |
◊ |
J |
x,y,z |
1_555 |
66 |
16 |
12693 |
519.0 |
-7.4 |
0.427 |
9 |
2 |
0 |
0.089 |
14 |
|
D |
47 |
12 |
7181 |
◊ |
B |
x,y,z |
1_555 |
61 |
16 |
12685 |
517.9 |
-7.4 |
0.411 |
10 |
2 |
0 |
0.089 |
15 |
|
H |
49 |
12 |
7202 |
◊ |
F |
x,y,z |
1_555 |
62 |
16 |
12697 |
517.3 |
-7.4 |
0.420 |
11 |
2 |
0 |
0.089 |
Average: |
518.0 |
-7.4 |
0.419 |
10 |
2 |
0 |
0.089 |
6 |
16 |
|
E |
55 |
20 |
21172 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
57 |
14 |
21135 |
490.0 |
-0.9 |
0.526 |
4 |
0 |
0 |
0.000 |
7 |
17 |
|
L |
39 |
13 |
7200 |
◊ |
D |
x,y,z |
1_555 |
37 |
10 |
7181 |
448.5 |
-14.0 |
0.172 |
0 |
0 |
0 |
0.206 |
18 |
|
L |
37 |
10 |
7200 |
◊ |
H |
x,y,z |
1_555 |
41 |
13 |
7202 |
444.2 |
-13.8 |
0.196 |
0 |
0 |
0 |
0.206 |
19 |
|
H |
37 |
10 |
7202 |
◊ |
D |
x,y,z |
1_555 |
39 |
13 |
7181 |
428.6 |
-13.4 |
0.215 |
0 |
0 |
0 |
0.206 |
Average: |
440.4 |
-13.7 |
0.194 |
0 |
0 |
0 |
0.206 |
8 |
20 |
|
[HEM]K:1129 |
40 |
1 |
818 |
◊ |
L |
x,y,z |
1_555 |
44 |
15 |
7200 |
367.1 |
-11.3 |
0.973 |
2 |
0 |
0 |
0.232 |
21 |
|
[HEM]G:1129 |
41 |
1 |
821 |
◊ |
H |
x,y,z |
1_555 |
43 |
14 |
7202 |
366.1 |
-11.3 |
0.970 |
2 |
0 |
0 |
0.232 |
22 |
|
[HEM]C:1129 |
42 |
1 |
815 |
◊ |
D |
x,y,z |
1_555 |
42 |
14 |
7181 |
360.6 |
-10.5 |
0.975 |
3 |
0 |
0 |
0.232 |
Average: |
364.6 |
-11.0 |
0.973 |
2 |
0 |
0 |
0.232 |
9 |
23 |
|
[HEM]C:1129 |
40 |
1 |
815 |
f |
C |
x,y,z |
1_555 |
45 |
15 |
9260 |
351.2 |
-11.9 |
0.829 |
2 |
0 |
0 |
0.258 |
24 |
|
[HEM]G:1129 |
39 |
1 |
821 |
f |
G |
x,y,z |
1_555 |
48 |
16 |
9259 |
351.0 |
-12.3 |
0.856 |
2 |
0 |
0 |
0.258 |
25 |
|
[HEM]K:1129 |
41 |
1 |
818 |
f |
K |
x,y,z |
1_555 |
48 |
16 |
9265 |
346.7 |
-12.5 |
0.852 |
3 |
0 |
0 |
0.258 |
Average: |
349.6 |
-12.2 |
0.846 |
2 |
0 |
0 |
0.258 |
10 |
26 |
|
A |
26 |
9 |
21135 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
26 |
8 |
12697 |
242.3 |
-2.3 |
0.201 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
[SF4]J:303 |
8 |
1 |
310 |
f |
J |
x,y,z |
1_555 |
23 |
14 |
12693 |
187.7 |
-21.6 |
0.227 |
0 |
0 |
0 |
0.168 |
12 |
28 |
|
[SF4]F:303 |
8 |
1 |
308 |
f |
F |
x,y,z |
1_555 |
23 |
14 |
12697 |
186.2 |
-21.4 |
0.261 |
0 |
0 |
0 |
0.166 |
13 |
29 |
|
[SF4]B:303 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
12685 |
185.6 |
-21.6 |
0.297 |
0 |
0 |
0 |
0.168 |
14 |
30 |
|
[CBE]K:1130 |
16 |
1 |
409 |
f |
K |
x,y,z |
1_555 |
29 |
7 |
9265 |
182.4 |
-1.7 |
0.470 |
0 |
0 |
0 |
0.033 |
31 |
|
[CBE]G:1130 |
16 |
1 |
411 |
f |
G |
x,y,z |
1_555 |
31 |
7 |
9259 |
181.6 |
-1.5 |
0.519 |
0 |
0 |
0 |
0.033 |
32 |
|
[CBE]C:1130 |
16 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
30 |
7 |
9260 |
179.3 |
-1.7 |
0.480 |
0 |
0 |
0 |
0.033 |
Average: |
181.1 |
-1.6 |
0.490 |
0 |
0 |
0 |
0.033 |
15 |
33 |
|
[F3S]F:304 |
7 |
1 |
302 |
f |
F |
x,y,z |
1_555 |
24 |
13 |
12697 |
175.7 |
-17.9 |
0.430 |
3 |
0 |
0 |
0.149 |
34 |
|
[F3S]B:304 |
7 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
12685 |
172.6 |
-17.7 |
0.448 |
3 |
0 |
0 |
0.149 |
Average: |
174.2 |
-17.8 |
0.439 |
3 |
0 |
0 |
0.149 |
16 |
35 |
|
[F3S]J:304 |
7 |
1 |
301 |
f |
J |
x,y,z |
1_555 |
23 |
13 |
12693 |
172.8 |
-17.8 |
0.386 |
3 |
0 |
0 |
0.148 |
17 |
36 |
|
A |
18 |
5 |
21135 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
5 |
7181 |
161.5 |
-1.1 |
0.735 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
F |
20 |
8 |
12697 |
◊ |
I |
x,y,z |
1_555 |
23 |
9 |
21155 |
158.8 |
-1.2 |
0.394 |
1 |
0 |
0 |
0.007 |
38 |
|
J |
19 |
8 |
12693 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
21135 |
156.9 |
-1.3 |
0.373 |
1 |
0 |
0 |
0.007 |
39 |
|
B |
19 |
8 |
12685 |
◊ |
E |
x,y,z |
1_555 |
19 |
8 |
21172 |
156.1 |
-1.1 |
0.410 |
1 |
0 |
0 |
0.007 |
Average: |
157.3 |
-1.2 |
0.392 |
1 |
0 |
0 |
0.007 |
19 |
40 |
|
H |
13 |
7 |
7202 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
12685 |
156.0 |
-1.3 |
0.645 |
1 |
0 |
0 |
0.012 |
41 |
|
L |
13 |
6 |
7200 |
◊ |
F |
x,y,z |
1_555 |
18 |
4 |
12697 |
154.2 |
-1.4 |
0.634 |
1 |
0 |
0 |
0.012 |
42 |
|
D |
13 |
7 |
7181 |
◊ |
J |
x,y,z |
1_555 |
17 |
4 |
12693 |
147.7 |
-1.4 |
0.640 |
1 |
0 |
0 |
0.012 |
Average: |
152.6 |
-1.4 |
0.639 |
1 |
0 |
0 |
0.012 |
20 |
43 |
|
[CBE]G:1130 |
16 |
1 |
411 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
12697 |
143.5 |
0.6 |
0.396 |
1 |
0 |
0 |
0.000 |
44 |
|
[CBE]C:1130 |
16 |
1 |
407 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
12685 |
139.8 |
0.8 |
0.398 |
1 |
0 |
0 |
0.000 |
45 |
|
[CBE]K:1130 |
16 |
1 |
409 |
◊ |
J |
x,y,z |
1_555 |
17 |
6 |
12693 |
137.9 |
0.7 |
0.375 |
1 |
0 |
0 |
0.000 |
Average: |
140.4 |
0.7 |
0.390 |
1 |
0 |
0 |
0.000 |
21 |
46 |
|
I |
18 |
6 |
21155 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
6 |
21135 |
138.0 |
1.6 |
0.796 |
0 |
0 |
0 |
0.000 |
22 |
47 |
|
[FES]B:302 |
4 |
1 |
234 |
cf |
B |
x,y,z |
1_555 |
14 |
11 |
12685 |
123.8 |
-16.9 |
0.621 |
1 |
0 |
0 |
0.136 |
48 |
|
[FES]J:302 |
4 |
1 |
235 |
cf |
J |
x,y,z |
1_555 |
15 |
11 |
12693 |
123.6 |
-16.9 |
0.620 |
1 |
0 |
0 |
0.136 |
49 |
|
[FES]F:302 |
4 |
1 |
234 |
cf |
F |
x,y,z |
1_555 |
12 |
11 |
12697 |
123.1 |
-16.8 |
0.616 |
2 |
0 |
0 |
0.136 |
Average: |
123.5 |
-16.9 |
0.619 |
1 |
0 |
0 |
0.136 |
23 |
50 |
|
[TEO]A:1589 |
9 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
27 |
15 |
21135 |
120.3 |
-1.4 |
0.628 |
10 |
0 |
0 |
0.050 |
51 |
|
[TEO]E:1589 |
9 |
1 |
255 |
f |
E |
x,y,z |
1_555 |
27 |
14 |
21172 |
119.6 |
-1.5 |
0.627 |
11 |
0 |
0 |
0.050 |
52 |
|
[TEO]I:1589 |
9 |
1 |
256 |
f |
I |
x,y,z |
1_555 |
26 |
14 |
21155 |
119.5 |
-1.7 |
0.629 |
9 |
0 |
0 |
0.050 |
Average: |
119.8 |
-1.5 |
0.628 |
10 |
0 |
0 |
0.050 |
24 |
53 |
|
I |
14 |
6 |
21155 |
◊ |
J |
x-1/2,-y-1/2,-z-1 |
4_444 |
11 |
3 |
12693 |
109.6 |
-0.8 |
0.446 |
0 |
2 |
0 |
0.000 |
25 |
54 |
|
[NA]A:1590 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
21135 |
67.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
55 |
|
[NA]I:1590 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
8 |
8 |
21155 |
67.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
56 |
|
[NA]E:1590 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
8 |
21172 |
66.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
67.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
26 |
57 |
|
[TEO]A:1589 |
8 |
1 |
255 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
15 |
1 |
1002 |
65.8 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
58 |
|
[TEO]I:1589 |
8 |
1 |
256 |
f |
[FAD]I:601 |
x,y,z |
1_555 |
14 |
1 |
1000 |
65.6 |
0.5 |
0.787 |
0 |
0 |
0 |
0.000 |
59 |
|
[TEO]E:1589 |
8 |
1 |
255 |
f |
[FAD]E:601 |
x,y,z |
1_555 |
15 |
1 |
1006 |
64.7 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
Average: |
65.4 |
0.5 |
0.784 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
C |
3 |
1 |
9260 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
21135 |
57.4 |
1.4 |
0.881 |
2 |
4 |
0 |
0.000 |
61 |
|
G |
3 |
1 |
9259 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
21172 |
52.7 |
1.3 |
0.893 |
2 |
3 |
0 |
0.000 |
62 |
|
K |
3 |
1 |
9265 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
21155 |
49.5 |
1.2 |
0.909 |
2 |
3 |
0 |
0.000 |
Average: |
53.2 |
1.3 |
0.894 |
2 |
3 |
0 |
0.000 |
28 |
63 |
|
[CBE]K:1130 |
9 |
1 |
409 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
7200 |
51.5 |
1.4 |
0.727 |
1 |
0 |
0 |
0.000 |
64 |
|
[CBE]G:1130 |
6 |
1 |
411 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
7202 |
50.3 |
1.5 |
0.777 |
1 |
0 |
0 |
0.000 |
65 |
|
[CBE]C:1130 |
9 |
1 |
407 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7181 |
50.0 |
1.3 |
0.724 |
1 |
0 |
0 |
0.000 |
Average: |
50.6 |
1.4 |
0.743 |
1 |
0 |
0 |
0.000 |
29 |
66 |
|
A |
5 |
1 |
21135 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
9260 |
47.7 |
-0.9 |
0.305 |
0 |
0 |
0 |
0.000 |
30 |
67 |
|
I |
6 |
3 |
21155 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
21172 |
44.9 |
0.7 |
0.746 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
6 |
3 |
21172 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
21135 |
34.4 |
0.6 |
0.742 |
0 |
0 |
0 |
0.000 |
69 |
|
I |
3 |
2 |
21155 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
21135 |
19.1 |
0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
32.8 |
0.5 |
0.697 |
0 |
0 |
0 |
0.000 |
31 |
70 |
|
[HEM]C:1129 |
5 |
1 |
815 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12685 |
27.6 |
-1.5 |
0.300 |
0 |
0 |
0 |
0.011 |
71 |
|
[HEM]K:1129 |
3 |
1 |
818 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
12693 |
22.9 |
-1.6 |
0.325 |
0 |
0 |
0 |
0.011 |
72 |
|
[HEM]G:1129 |
3 |
1 |
821 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12697 |
21.9 |
-1.5 |
0.298 |
0 |
0 |
0 |
0.011 |
Average: |
24.1 |
-1.5 |
0.308 |
0 |
0 |
0 |
0.011 |
32 |
73 |
|
[CBE]C:1130 |
3 |
1 |
407 |
f |
[HEM]C:1129 |
x,y,z |
1_555 |
4 |
1 |
815 |
26.6 |
-0.5 |
0.621 |
0 |
0 |
0 |
0.009 |
74 |
|
[CBE]K:1130 |
3 |
1 |
409 |
f |
[HEM]K:1129 |
x,y,z |
1_555 |
3 |
1 |
818 |
25.8 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.009 |
75 |
|
[CBE]G:1130 |
3 |
1 |
411 |
f |
[HEM]G:1129 |
x,y,z |
1_555 |
3 |
1 |
821 |
24.6 |
-0.4 |
0.542 |
0 |
0 |
0 |
0.009 |
Average: |
25.7 |
-0.5 |
0.564 |
0 |
0 |
0 |
0.009 |
33 |
76 |
|
E |
6 |
3 |
21172 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
21155 |
25.5 |
0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
34 |
77 |
|
J |
4 |
2 |
12693 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12697 |
24.3 |
0.8 |
0.838 |
0 |
0 |
0 |
0.000 |
78 |
|
F |
3 |
1 |
12697 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12685 |
16.7 |
0.5 |
0.807 |
0 |
0 |
0 |
0.000 |
79 |
|
J |
3 |
1 |
12693 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12685 |
10.8 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
Average: |
17.3 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
35 |
80 |
|
E |
3 |
1 |
21172 |
◊ |
L |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
2 |
7200 |
17.9 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.000 |
36 |
81 |
|
[FAD]E:601 |
1 |
1 |
1006 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12697 |
16.0 |
-0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
82 |
|
[FAD]I:601 |
1 |
1 |
1000 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
12693 |
15.4 |
-0.1 |
0.415 |
0 |
0 |
0 |
0.000 |
83 |
|
[FAD]A:601 |
1 |
1 |
1002 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12685 |
12.6 |
-0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
Average: |
14.7 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.001 |
37 |
84 |
|
I |
1 |
1 |
21155 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
1 |
9265 |
4.6 |
0.1 |
0.821 |
0 |
0 |
0 |
0.000 |
38 |
85 |
|
L |
1 |
1 |
7200 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9259 |
1.1 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
|