## |
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 |
171 |
41 |
6631 |
◊ |
E |
x,y,z |
1_555 |
176 |
51 |
17356 |
1612.6 |
-12.1 |
0.367 |
24 |
14 |
0 |
1.000 |
2 |
|
J |
169 |
40 |
6637 |
◊ |
I |
x,y,z |
1_555 |
175 |
49 |
17454 |
1612.4 |
-12.2 |
0.351 |
24 |
14 |
0 |
1.000 |
3 |
|
B |
169 |
41 |
6634 |
◊ |
A |
x,y,z |
1_555 |
176 |
50 |
17507 |
1607.0 |
-12.5 |
0.325 |
26 |
14 |
0 |
1.000 |
4 |
|
N |
169 |
41 |
6634 |
◊ |
M |
x,y,z |
1_555 |
174 |
50 |
17436 |
1600.7 |
-13.2 |
0.315 |
25 |
14 |
0 |
1.000 |
Average: |
1608.2 |
-12.5 |
0.339 |
25 |
14 |
0 |
1.000 |
2 |
5 |
|
N |
138 |
45 |
6634 |
◊ |
I |
x,y,z |
1_555 |
166 |
41 |
17454 |
1444.7 |
-9.0 |
0.227 |
24 |
4 |
0 |
1.000 |
6 |
|
B |
139 |
45 |
6634 |
◊ |
E |
x,y,z |
1_555 |
162 |
41 |
17356 |
1444.5 |
-8.9 |
0.212 |
23 |
4 |
0 |
1.000 |
7 |
|
J |
140 |
45 |
6637 |
◊ |
M |
x,y,z |
1_555 |
157 |
40 |
17436 |
1437.6 |
-9.6 |
0.163 |
22 |
4 |
0 |
1.000 |
8 |
|
F |
140 |
45 |
6631 |
◊ |
A |
x,y,z |
1_555 |
154 |
41 |
17507 |
1436.7 |
-9.5 |
0.144 |
22 |
4 |
0 |
1.000 |
Average: |
1440.9 |
-9.2 |
0.187 |
23 |
4 |
0 |
1.000 |
3 |
9 |
|
E |
73 |
23 |
17356 |
◊ |
A |
x,y,z |
1_555 |
75 |
23 |
17507 |
680.2 |
-3.3 |
0.447 |
9 |
14 |
0 |
0.097 |
10 |
|
M |
75 |
23 |
17436 |
◊ |
I |
x,y,z |
1_555 |
75 |
23 |
17454 |
678.8 |
-3.3 |
0.455 |
10 |
14 |
0 |
0.097 |
Average: |
679.5 |
-3.3 |
0.451 |
10 |
14 |
0 |
0.097 |
4 |
11 |
|
[HEM]P:200 |
43 |
1 |
856 |
cf |
P |
x,y,z |
1_555 |
69 |
28 |
7705 |
600.4 |
-24.6 |
0.175 |
6 |
0 |
0 |
0.626 |
12 |
|
[HEM]D:200 |
43 |
1 |
855 |
cf |
D |
x,y,z |
1_555 |
69 |
29 |
7898 |
599.6 |
-24.7 |
0.144 |
6 |
0 |
0 |
0.626 |
13 |
|
[HEM]L:200 |
43 |
1 |
855 |
cf |
L |
x,y,z |
1_555 |
69 |
28 |
7803 |
596.4 |
-24.7 |
0.158 |
6 |
0 |
0 |
0.626 |
14 |
|
[HEM]H:200 |
43 |
1 |
859 |
cf |
H |
x,y,z |
1_555 |
65 |
27 |
7780 |
589.7 |
-24.2 |
0.158 |
6 |
0 |
0 |
0.626 |
Average: |
596.5 |
-24.6 |
0.159 |
6 |
0 |
0 |
0.626 |
5 |
15 |
|
P |
52 |
18 |
7705 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
56 |
21 |
7803 |
549.9 |
-7.2 |
0.198 |
3 |
0 |
0 |
0.098 |
16 |
|
H |
53 |
20 |
7780 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
61 |
21 |
7898 |
543.4 |
-7.1 |
0.213 |
3 |
0 |
0 |
0.098 |
Average: |
546.6 |
-7.1 |
0.206 |
3 |
0 |
0 |
0.098 |
6 |
17 |
|
G |
48 |
16 |
5464 |
◊ |
F |
x,y,z |
1_555 |
56 |
20 |
6631 |
481.7 |
-8.7 |
0.127 |
1 |
1 |
0 |
0.152 |
18 |
|
K |
48 |
16 |
5405 |
◊ |
J |
x,y,z |
1_555 |
55 |
20 |
6637 |
481.6 |
-8.9 |
0.116 |
1 |
1 |
0 |
0.152 |
19 |
|
O |
48 |
15 |
5428 |
◊ |
N |
x,y,z |
1_555 |
55 |
19 |
6634 |
473.4 |
-9.1 |
0.100 |
1 |
1 |
0 |
0.152 |
20 |
|
C |
47 |
16 |
5467 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
6634 |
471.2 |
-8.8 |
0.117 |
1 |
1 |
0 |
0.152 |
Average: |
477.0 |
-8.8 |
0.115 |
1 |
1 |
0 |
0.152 |
7 |
21 |
|
P |
48 |
12 |
7705 |
◊ |
O |
x,y,z |
1_555 |
43 |
11 |
5428 |
420.0 |
-4.6 |
0.429 |
5 |
1 |
0 |
0.082 |
22 |
|
H |
51 |
13 |
7780 |
◊ |
G |
x,y,z |
1_555 |
43 |
11 |
5464 |
419.0 |
-2.9 |
0.591 |
6 |
2 |
0 |
0.082 |
23 |
|
D |
50 |
12 |
7898 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
5467 |
411.8 |
-2.7 |
0.612 |
4 |
1 |
0 |
0.082 |
24 |
|
L |
51 |
13 |
7803 |
◊ |
K |
x,y,z |
1_555 |
44 |
12 |
5405 |
411.1 |
-3.2 |
0.579 |
6 |
3 |
0 |
0.082 |
Average: |
415.5 |
-3.4 |
0.553 |
5 |
2 |
0 |
0.082 |
8 |
25 |
|
M |
49 |
15 |
17436 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
52 |
14 |
7898 |
407.7 |
-3.9 |
0.404 |
2 |
1 |
0 |
0.000 |
26 |
|
H |
50 |
15 |
7780 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
48 |
14 |
17507 |
407.6 |
-4.0 |
0.378 |
2 |
1 |
0 |
0.000 |
27 |
|
P |
44 |
15 |
7705 |
◊ |
I |
-x-2,y-1/2,-z+1 |
2_346 |
41 |
12 |
17454 |
380.8 |
-4.6 |
0.312 |
1 |
0 |
0 |
0.000 |
28 |
|
E |
40 |
12 |
17356 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
46 |
13 |
7803 |
380.4 |
-4.5 |
0.306 |
1 |
0 |
0 |
0.000 |
Average: |
394.1 |
-4.3 |
0.350 |
2 |
1 |
0 |
0.000 |
9 |
29 |
|
A |
38 |
12 |
17507 |
◊ |
M |
x,y,z-1 |
1_554 |
40 |
13 |
17436 |
357.7 |
-1.1 |
0.539 |
2 |
0 |
0 |
0.000 |
10 |
30 |
|
H |
29 |
9 |
7780 |
◊ |
M |
x,y,z-1 |
1_554 |
43 |
19 |
17436 |
310.5 |
-3.8 |
0.283 |
1 |
0 |
0 |
0.000 |
31 |
|
I |
40 |
17 |
17454 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
11 |
7898 |
304.9 |
-4.3 |
0.229 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
41 |
18 |
17507 |
◊ |
L |
x,y,z-1 |
1_554 |
28 |
9 |
7803 |
302.9 |
-3.4 |
0.326 |
1 |
0 |
0 |
0.000 |
Average: |
306.1 |
-3.9 |
0.279 |
1 |
0 |
0 |
0.000 |
11 |
33 |
|
O |
35 |
9 |
5428 |
◊ |
M |
x,y,z |
1_555 |
29 |
9 |
17436 |
306.5 |
-2.5 |
0.399 |
2 |
4 |
0 |
0.073 |
34 |
|
C |
36 |
9 |
5467 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
17507 |
305.6 |
-3.2 |
0.333 |
3 |
4 |
0 |
0.073 |
35 |
|
K |
35 |
9 |
5405 |
◊ |
I |
x,y,z |
1_555 |
29 |
9 |
17454 |
301.2 |
-2.4 |
0.424 |
2 |
4 |
0 |
0.073 |
36 |
|
G |
35 |
9 |
5464 |
◊ |
E |
x,y,z |
1_555 |
28 |
9 |
17356 |
300.5 |
-2.6 |
0.398 |
2 |
4 |
0 |
0.073 |
Average: |
303.4 |
-2.7 |
0.388 |
2 |
4 |
0 |
0.073 |
12 |
37 |
|
I |
36 |
14 |
17454 |
◊ |
E |
x-1,y,z |
1_455 |
35 |
15 |
17356 |
225.5 |
-3.6 |
0.252 |
0 |
0 |
0 |
0.000 |
13 |
38 |
|
A |
23 |
12 |
17507 |
◊ |
K |
x,y,z-1 |
1_554 |
21 |
6 |
5405 |
209.2 |
-1.2 |
0.508 |
1 |
0 |
0 |
0.000 |
39 |
|
G |
23 |
7 |
5464 |
◊ |
M |
x,y,z-1 |
1_554 |
23 |
11 |
17436 |
206.9 |
-1.7 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
208.0 |
-1.4 |
0.485 |
1 |
0 |
0 |
0.000 |
14 |
40 |
|
O |
14 |
4 |
5428 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
15 |
5 |
7803 |
116.1 |
0.2 |
0.582 |
0 |
3 |
0 |
0.003 |
41 |
|
P |
11 |
3 |
7705 |
◊ |
K |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
4 |
5405 |
94.0 |
-0.2 |
0.658 |
0 |
0 |
0 |
0.003 |
Average: |
105.1 |
-0.0 |
0.620 |
0 |
2 |
0 |
0.003 |
15 |
42 |
|
H |
16 |
4 |
7780 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
15 |
4 |
5467 |
109.8 |
-0.9 |
0.540 |
0 |
3 |
0 |
0.000 |
16 |
43 |
|
P |
9 |
5 |
7705 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
7 |
17356 |
85.7 |
-1.0 |
0.412 |
0 |
0 |
0 |
0.000 |
17 |
44 |
|
G |
9 |
4 |
5464 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
3 |
7898 |
80.7 |
2.0 |
0.922 |
1 |
2 |
0 |
0.000 |
18 |
45 |
|
[HEM]H:200 |
4 |
1 |
859 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
2 |
7898 |
66.4 |
-1.9 |
0.366 |
0 |
0 |
0 |
0.046 |
46 |
|
P |
9 |
4 |
7705 |
◊ |
[HEM]L:200 |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
855 |
65.8 |
-1.9 |
0.393 |
0 |
0 |
0 |
0.046 |
47 |
|
H |
9 |
4 |
7780 |
◊ |
[HEM]D:200 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
855 |
65.1 |
-2.1 |
0.362 |
0 |
0 |
0 |
0.046 |
48 |
|
[HEM]P:200 |
4 |
1 |
856 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
4 |
7803 |
64.6 |
-1.9 |
0.435 |
0 |
0 |
0 |
0.046 |
Average: |
65.5 |
-1.9 |
0.389 |
0 |
0 |
0 |
0.046 |
19 |
49 |
|
[NA]D:604 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
7898 |
61.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.206 |
50 |
|
[NA]P:602 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
16 |
6 |
7705 |
59.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.206 |
51 |
|
[NA]H:603 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
7780 |
59.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.206 |
52 |
|
[NA]L:601 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
15 |
6 |
7803 |
58.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
59.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.206 |
20 |
53 |
|
C |
4 |
2 |
5467 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
17356 |
49.4 |
1.9 |
0.874 |
1 |
0 |
0 |
0.000 |
54 |
|
O |
3 |
1 |
5428 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
17454 |
34.5 |
1.3 |
0.772 |
0 |
1 |
0 |
0.000 |
55 |
|
G |
3 |
1 |
5464 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17507 |
31.2 |
1.3 |
0.789 |
0 |
0 |
0 |
0.000 |
56 |
|
K |
2 |
1 |
5405 |
◊ |
M |
x,y,z |
1_555 |
5 |
2 |
17436 |
27.4 |
1.0 |
0.751 |
0 |
0 |
0 |
0.000 |
Average: |
35.6 |
1.4 |
0.797 |
0 |
0 |
0 |
0.000 |
21 |
57 |
|
[NA]L:601 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
5405 |
25.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.033 |
58 |
|
[NA]H:603 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
5464 |
25.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.033 |
59 |
|
[NA]P:602 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
5 |
1 |
5428 |
24.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.033 |
60 |
|
[NA]D:604 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
5467 |
23.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
25.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.033 |
22 |
61 |
|
O |
3 |
3 |
5428 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
5 |
17356 |
24.1 |
-0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
62 |
|
I |
3 |
3 |
17454 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
5467 |
9.1 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
23 |
63 |
|
[HEM]P:200 |
3 |
1 |
856 |
f |
[NA]P:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
64 |
|
[HEM]H:200 |
1 |
1 |
859 |
f |
[NA]H:603 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.029 |
65 |
|
[HEM]L:200 |
1 |
1 |
855 |
f |
[NA]L:601 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
66 |
|
[HEM]D:200 |
2 |
1 |
855 |
f |
[NA]D:604 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
8.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
67 |
|
P |
2 |
1 |
7705 |
◊ |
M |
x,y,z |
1_555 |
3 |
2 |
17436 |
6.5 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
68 |
|
H |
1 |
1 |
7780 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17356 |
2.7 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
25 |
69 |
|
D |
1 |
1 |
7898 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17507 |
0.9 |
0.0 |
0.692 |
0 |
0 |
0 |
0.000 |
|