## |
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 |
|
G |
344 |
90 |
16058 |
◊ |
F |
x,y,z |
1_555 |
341 |
96 |
22419 |
3389.0 |
-66.7 |
0.131 |
13 |
0 |
0 |
0.513 |
2 |
|
B |
343 |
90 |
16070 |
◊ |
A |
x,y,z |
1_555 |
339 |
94 |
22408 |
3333.4 |
-65.9 |
0.133 |
13 |
0 |
0 |
0.513 |
Average: |
3361.2 |
-66.3 |
0.132 |
13 |
0 |
0 |
0.513 |
2 |
3 |
|
I |
160 |
55 |
6880 |
◊ |
H |
x,y,z |
1_555 |
134 |
39 |
11314 |
1384.5 |
-39.5 |
0.147 |
1 |
0 |
0 |
1.000 |
4 |
|
D |
140 |
51 |
6837 |
◊ |
C |
x,y,z |
1_555 |
117 |
39 |
11344 |
1207.7 |
-34.9 |
0.157 |
2 |
0 |
0 |
1.000 |
Average: |
1296.1 |
-37.2 |
0.152 |
2 |
0 |
0 |
1.000 |
3 |
5 |
|
H |
102 |
25 |
11314 |
◊ |
F |
x,y,z |
1_555 |
104 |
34 |
22419 |
1040.7 |
-22.9 |
0.199 |
2 |
0 |
0 |
0.260 |
6 |
|
C |
98 |
25 |
11344 |
◊ |
A |
x,y,z |
1_555 |
96 |
33 |
22408 |
1004.6 |
-22.3 |
0.166 |
1 |
0 |
0 |
0.260 |
Average: |
1022.7 |
-22.6 |
0.183 |
2 |
0 |
0 |
0.260 |
4 |
7 |
|
[HEO]F:1002 |
59 |
1 |
1139 |
f |
F |
x,y,z |
1_555 |
117 |
39 |
22419 |
829.5 |
-23.6 |
0.657 |
5 |
0 |
0 |
0.285 |
8 |
|
[HEO]A:1002 |
59 |
1 |
1137 |
f |
A |
x,y,z |
1_555 |
116 |
39 |
22408 |
827.6 |
-23.6 |
0.658 |
5 |
0 |
0 |
0.285 |
Average: |
828.5 |
-23.6 |
0.657 |
5 |
0 |
0 |
0.285 |
5 |
9 |
|
[HEM]A:1001 |
43 |
1 |
835 |
f |
A |
x,y,z |
1_555 |
88 |
32 |
22408 |
658.7 |
-26.4 |
0.552 |
4 |
0 |
0 |
0.311 |
10 |
|
[HEM]F:1001 |
43 |
1 |
835 |
f |
F |
x,y,z |
1_555 |
86 |
32 |
22419 |
657.9 |
-26.3 |
0.544 |
4 |
0 |
0 |
0.311 |
Average: |
658.3 |
-26.3 |
0.548 |
4 |
0 |
0 |
0.311 |
6 |
11 |
|
I |
37 |
11 |
6880 |
◊ |
F |
x,y,z |
1_555 |
43 |
19 |
22419 |
348.8 |
-8.9 |
0.549 |
0 |
0 |
0 |
0.066 |
12 |
|
D |
37 |
11 |
6837 |
◊ |
A |
x,y,z |
1_555 |
42 |
19 |
22408 |
345.8 |
-8.9 |
0.525 |
0 |
0 |
0 |
0.066 |
Average: |
347.3 |
-8.9 |
0.537 |
0 |
0 |
0 |
0.066 |
7 |
13 |
|
[HEO]A:1002 |
9 |
1 |
1137 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
16070 |
146.6 |
-1.0 |
0.572 |
0 |
0 |
0 |
0.007 |
14 |
|
[HEO]F:1002 |
9 |
1 |
1139 |
◊ |
G |
x,y,z |
1_555 |
24 |
8 |
16058 |
145.7 |
-1.0 |
0.687 |
0 |
0 |
0 |
0.007 |
Average: |
146.2 |
-1.0 |
0.629 |
0 |
0 |
0 |
0.007 |
8 |
15 |
|
G |
8 |
3 |
16058 |
◊ |
F |
x,-y+1,-z+1 |
4_566 |
10 |
4 |
22419 |
97.4 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
G |
11 |
4 |
16058 |
◊ |
G |
x,-y+1,-z+1 |
4_566 |
11 |
4 |
16058 |
91.5 |
0.5 |
0.857 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
G |
11 |
5 |
16058 |
◊ |
B |
-x+1,-y+1,z-1/2 |
2_664 |
10 |
4 |
16070 |
75.6 |
-0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[CU]A:1003 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
22408 |
55.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.108 |
19 |
|
[CU]F:1003 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
22419 |
55.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
55.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.108 |
12 |
20 |
|
[HEO]F:1002 |
16 |
1 |
1139 |
f |
[CU]F:1003 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
21 |
|
[HEO]A:1002 |
16 |
1 |
1137 |
f |
[CU]A:1003 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
27.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.035 |
13 |
22 |
|
F |
1 |
1 |
22419 |
◊ |
F |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
22419 |
26.9 |
-0.9 |
0.089 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
1 |
1 |
22408 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
22408 |
20.8 |
-0.7 |
0.127 |
0 |
0 |
0 |
0.000 |
Average: |
23.8 |
-0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
I |
3 |
3 |
6880 |
◊ |
G |
x,y,z |
1_555 |
4 |
4 |
16058 |
21.8 |
-0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
3 |
3 |
6837 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
16070 |
18.6 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
G |
2 |
2 |
16058 |
◊ |
B |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
2 |
1 |
16070 |
19.5 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[HEO]A:1002 |
2 |
1 |
1137 |
f |
[HEM]A:1001 |
x,y,z |
1_555 |
2 |
1 |
835 |
17.9 |
-0.9 |
0.549 |
0 |
0 |
0 |
0.010 |
28 |
|
[HEO]F:1002 |
2 |
1 |
1139 |
f |
[HEM]F:1001 |
x,y,z |
1_555 |
2 |
1 |
835 |
17.3 |
-0.9 |
0.552 |
0 |
0 |
0 |
0.010 |
Average: |
17.6 |
-0.9 |
0.551 |
0 |
0 |
0 |
0.010 |
17 |
29 |
|
H |
1 |
1 |
11314 |
◊ |
C |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
11344 |
4.8 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
H |
1 |
1 |
11314 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
16058 |
4.4 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
|