## |
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 |
127 |
31 |
11991 |
◊ |
A |
x,y,z |
1_555 |
115 |
27 |
11671 |
1106.8 |
-8.4 |
0.249 |
5 |
5 |
0 |
0.036 |
2 |
2 |
|
A |
85 |
18 |
11671 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
86 |
18 |
11671 |
767.2 |
-6.6 |
0.272 |
6 |
2 |
0 |
0.004 |
3 |
3 |
|
B |
52 |
12 |
11991 |
◊ |
B |
-x-1,y,-z |
5_455 |
53 |
12 |
11991 |
476.0 |
-5.1 |
0.276 |
4 |
2 |
0 |
0.026 |
4 |
4 |
|
B |
42 |
16 |
11991 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
42 |
16 |
11991 |
433.1 |
0.3 |
0.685 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
33 |
12 |
11991 |
◊ |
A |
x,-y,-z |
6_555 |
28 |
13 |
11671 |
247.4 |
2.5 |
0.799 |
5 |
4 |
0 |
0.000 |
6 |
6 |
|
B |
29 |
10 |
11991 |
◊ |
A |
-x-1,y,-z |
5_455 |
32 |
11 |
11671 |
241.1 |
1.0 |
0.684 |
3 |
5 |
0 |
0.004 |
7 |
7 |
|
[8TW]A:412 |
13 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
39 |
12 |
11671 |
219.6 |
-9.0 |
0.425 |
5 |
0 |
0 |
0.066 |
8 |
|
[8TW]B:409 |
13 |
1 |
351 |
f |
B |
x,y,z |
1_555 |
36 |
10 |
11991 |
200.6 |
-7.4 |
0.528 |
3 |
0 |
0 |
0.066 |
Average: |
210.1 |
-8.2 |
0.476 |
4 |
0 |
0 |
0.066 |
8 |
9 |
|
[GOL]A:404 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
11671 |
146.2 |
-0.4 |
0.554 |
2 |
0 |
0 |
0.004 |
9 |
10 |
|
[GOL]B:405 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
11991 |
141.2 |
-0.2 |
0.608 |
1 |
0 |
0 |
0.005 |
10 |
11 |
|
[GOL]A:403 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
11991 |
128.8 |
-1.8 |
0.357 |
0 |
0 |
0 |
0.013 |
11 |
12 |
|
[GOL]A:405 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
11671 |
126.6 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.002 |
12 |
13 |
|
[TRS]B:411 |
6 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11671 |
119.6 |
1.8 |
0.116 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[DMS]A:408 |
4 |
1 |
210 |
◊ |
B |
-x-1,y,-z |
5_455 |
12 |
5 |
11991 |
99.5 |
2.0 |
0.499 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[GOL]A:406 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
11671 |
96.4 |
-1.1 |
0.439 |
0 |
0 |
0 |
0.004 |
15 |
16 |
|
[GOL]B:403 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
11991 |
92.6 |
-1.5 |
0.404 |
0 |
0 |
0 |
0.011 |
16 |
17 |
|
[SO4]B:410 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11991 |
87.7 |
-12.8 |
0.612 |
1 |
0 |
0 |
0.096 |
17 |
18 |
|
[TRS]B:411 |
6 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
11991 |
84.0 |
1.6 |
0.667 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[GOL]B:404 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11991 |
81.5 |
-0.5 |
0.557 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[GOL]B:404 |
4 |
1 |
216 |
f |
B |
-y,-x,-z+1/2 |
8_555 |
13 |
4 |
11991 |
71.0 |
-0.9 |
0.423 |
0 |
0 |
0 |
0.007 |
20 |
21 |
|
[DMS]A:408 |
3 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
11671 |
63.4 |
1.4 |
0.423 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[CL]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11671 |
49.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.021 |
22 |
23 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
-y,-x,-z-1/2 |
8_554 |
7 |
3 |
11671 |
47.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.020 |
23 |
24 |
|
[GOL]A:403 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11671 |
45.9 |
0.4 |
0.703 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[CL]A:411 |
1 |
1 |
125 |
◊ |
B |
x,-y,-z |
6_555 |
4 |
2 |
11991 |
42.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
26 |
|
[CL]B:407 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
11991 |
40.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.034 |
26 |
27 |
|
[ZN]A:407 |
1 |
1 |
98 |
f |
B |
-x-1,y,-z |
5_455 |
5 |
3 |
11991 |
36.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.146 |
28 |
|
[ZN]B:406 |
1 |
1 |
98 |
cf |
A |
x,-y,-z |
6_555 |
6 |
3 |
11671 |
34.7 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
35.8 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.146 |
27 |
29 |
|
[CL]A:411 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11671 |
36.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
30 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
11671 |
35.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.190 |
31 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11991 |
35.4 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
35.6 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.190 |
29 |
32 |
|
[ZN]B:406 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11991 |
35.8 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.126 |
33 |
|
[ZN]A:407 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11671 |
34.1 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
34.9 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.126 |
30 |
34 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11671 |
35.4 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.168 |
35 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11991 |
35.3 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
35.4 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.168 |
31 |
36 |
|
[8TW]B:409 |
6 |
1 |
351 |
f |
[GOL]B:403 |
x,y,z |
1_555 |
2 |
1 |
218 |
34.4 |
-0.5 |
0.758 |
0 |
0 |
0 |
0.004 |
32 |
37 |
|
[8TW]B:409 |
3 |
1 |
351 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11671 |
32.1 |
-2.4 |
0.240 |
0 |
0 |
0 |
0.008 |
33 |
38 |
|
B |
2 |
1 |
11991 |
◊ |
B |
x,-y,-z |
6_555 |
2 |
1 |
11991 |
29.5 |
1.3 |
0.937 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[CL]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
11991 |
28.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
35 |
40 |
|
[8TW]A:412 |
6 |
1 |
353 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.081 |
41 |
|
[8TW]B:409 |
5 |
1 |
351 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
27.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.081 |
36 |
42 |
|
A |
3 |
2 |
11671 |
◊ |
A |
x,-y,-z |
6_555 |
3 |
2 |
11671 |
27.8 |
1.2 |
0.897 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[8TW]A:412 |
4 |
1 |
353 |
f |
[GOL]A:406 |
x,y,z |
1_555 |
1 |
1 |
217 |
27.7 |
-0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[SO4]B:410 |
4 |
1 |
185 |
◊ |
A |
-x-1,y,-z |
5_455 |
7 |
3 |
11671 |
24.6 |
-3.1 |
0.718 |
0 |
0 |
0 |
0.010 |
39 |
45 |
|
[8TW]A:412 |
5 |
1 |
353 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.057 |
46 |
|
[8TW]B:409 |
5 |
1 |
351 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
21.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.057 |
40 |
47 |
|
[CL]A:410 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
11671 |
20.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.073 |
42 |
49 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.032 |
43 |
50 |
|
[8TW]B:409 |
1 |
1 |
351 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
1 |
1 |
220 |
11.1 |
-0.9 |
0.340 |
0 |
0 |
0 |
0.006 |
44 |
51 |
|
[GOL]B:403 |
2 |
1 |
218 |
◊ |
A |
x,-y,-z |
6_555 |
1 |
1 |
11671 |
5.2 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[CL]A:409 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11671 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|