## |
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 |
201 |
54 |
14431 |
◊ |
A |
x,y,z |
1_555 |
198 |
54 |
14440 |
1907.2 |
-16.4 |
0.164 |
23 |
1 |
0 |
0.160 |
2 |
|
D |
196 |
53 |
14354 |
◊ |
C |
x,y,z |
1_555 |
195 |
54 |
14417 |
1863.9 |
-12.8 |
0.275 |
26 |
2 |
0 |
0.160 |
Average: |
1885.5 |
-14.6 |
0.220 |
25 |
2 |
0 |
0.160 |
2 |
3 |
|
C |
90 |
27 |
14417 |
◊ |
A |
x,y,z |
1_555 |
89 |
28 |
14440 |
879.3 |
-16.0 |
0.012 |
7 |
4 |
0 |
0.127 |
4 |
|
D |
93 |
29 |
14354 |
◊ |
B |
x,y,z |
1_555 |
89 |
28 |
14431 |
871.2 |
-16.7 |
0.008 |
7 |
4 |
0 |
0.127 |
Average: |
875.2 |
-16.3 |
0.010 |
7 |
4 |
0 |
0.127 |
3 |
5 |
|
D |
70 |
26 |
14354 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
70 |
26 |
14354 |
549.8 |
-5.6 |
0.297 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
42 |
14 |
14440 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
42 |
14 |
14440 |
400.8 |
-3.4 |
0.344 |
5 |
4 |
0 |
0.018 |
5 |
7 |
|
B |
38 |
14 |
14431 |
◊ |
B |
x,-y,-z+1 |
4_556 |
38 |
14 |
14431 |
361.2 |
-4.1 |
0.260 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
26 |
9 |
14417 |
◊ |
C |
x,-y+1,-z+1 |
4_566 |
26 |
9 |
14417 |
210.0 |
-0.8 |
0.563 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
9 |
14440 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
26 |
7 |
14417 |
203.7 |
1.2 |
0.773 |
1 |
1 |
0 |
0.000 |
8 |
10 |
|
A |
18 |
7 |
14440 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
8_456 |
17 |
6 |
14417 |
148.5 |
1.8 |
0.838 |
2 |
3 |
0 |
0.000 |
9 |
11 |
|
[GOL]D:1390 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
14354 |
130.9 |
-0.4 |
0.566 |
8 |
0 |
0 |
0.024 |
12 |
|
[GOL]A:1390 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
14440 |
130.4 |
-0.2 |
0.536 |
5 |
0 |
0 |
0.024 |
Average: |
130.6 |
-0.3 |
0.551 |
7 |
0 |
0 |
0.024 |
10 |
13 |
|
[GOL]C:1390 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
14417 |
130.8 |
-0.3 |
0.590 |
6 |
0 |
0 |
0.019 |
11 |
14 |
|
[GOL]B:1390 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
14431 |
130.1 |
-0.2 |
0.568 |
8 |
0 |
0 |
0.024 |
12 |
15 |
|
[GOL]A:1391 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14440 |
96.8 |
-0.4 |
0.513 |
4 |
0 |
0 |
0.014 |
13 |
16 |
|
A |
13 |
4 |
14440 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
12 |
4 |
14354 |
89.2 |
-1.1 |
0.371 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
14417 |
67.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.117 |
18 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
14431 |
67.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
14354 |
66.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
14440 |
65.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
66.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
21 |
|
D |
7 |
2 |
14354 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14440 |
67.1 |
-2.4 |
0.031 |
0 |
0 |
0 |
0.013 |
22 |
|
C |
7 |
2 |
14417 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14431 |
56.2 |
-2.4 |
0.034 |
0 |
0 |
0 |
0.013 |
Average: |
61.6 |
-2.4 |
0.032 |
0 |
0 |
0 |
0.013 |
16 |
23 |
|
[FE]B:402 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
13 |
7 |
14431 |
57.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.125 |
24 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14440 |
57.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.125 |
25 |
|
[FE]D:402 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
11 |
7 |
14354 |
57.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.125 |
26 |
|
[FE]C:402 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
12 |
7 |
14417 |
56.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
57.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.125 |
17 |
27 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
14417 |
34.6 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.315 |
28 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14431 |
34.5 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.315 |
29 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14440 |
34.1 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.315 |
30 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
14354 |
33.9 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.315 |
Average: |
34.3 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.315 |
18 |
31 |
|
[GOL]A:1391 |
4 |
1 |
219 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
14440 |
28.3 |
-0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
[FE]C:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.028 |
20 |
33 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
[FE]B:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.027 |
21 |
34 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
[FE]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.027 |
22 |
35 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
[FE]D:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
36 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.059 |
24 |
37 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
38 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
39 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.056 |
27 |
40 |
|
[FE]D:402 |
1 |
1 |
137 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.052 |
28 |
41 |
|
[FE]A:402 |
1 |
1 |
137 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
42 |
|
[FE]B:402 |
1 |
1 |
137 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.052 |
30 |
43 |
|
[FE]C:402 |
1 |
1 |
137 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
44 |
|
D |
1 |
1 |
14354 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
14431 |
3.3 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
|