## |
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 |
|
L |
404 |
111 |
21452 |
◊ |
S |
x,y,z |
1_555 |
399 |
101 |
12843 |
3898.0 |
-36.3 |
0.035 |
61 |
8 |
0 |
0.343 |
2 |
|
M |
407 |
110 |
21302 |
◊ |
T |
x,y,z |
1_555 |
400 |
102 |
12709 |
3887.3 |
-36.6 |
0.039 |
61 |
8 |
0 |
0.343 |
Average: |
3892.6 |
-36.4 |
0.037 |
61 |
8 |
0 |
0.343 |
2 |
3 |
|
M |
77 |
19 |
21302 |
◊ |
S |
x,y,z |
1_555 |
95 |
25 |
12843 |
796.6 |
-12.2 |
0.041 |
4 |
1 |
0 |
0.115 |
4 |
|
L |
76 |
19 |
21452 |
◊ |
T |
x,y,z |
1_555 |
92 |
23 |
12709 |
793.1 |
-12.4 |
0.043 |
5 |
1 |
0 |
0.115 |
Average: |
794.9 |
-12.3 |
0.042 |
5 |
1 |
0 |
0.115 |
3 |
5 |
|
T |
72 |
21 |
12709 |
◊ |
S |
x,y,z |
1_555 |
74 |
22 |
12843 |
631.2 |
-1.0 |
0.710 |
9 |
0 |
0 |
0.012 |
4 |
6 |
|
M |
55 |
18 |
21302 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
53 |
15 |
21452 |
513.1 |
1.4 |
0.769 |
8 |
8 |
0 |
0.000 |
5 |
7 |
|
M |
48 |
14 |
21302 |
◊ |
L |
x,y,z |
1_555 |
46 |
13 |
21452 |
417.9 |
-5.8 |
0.114 |
9 |
0 |
0 |
0.023 |
6 |
8 |
|
[LMT]S:404 |
14 |
1 |
476 |
f |
S |
x,y,z |
1_555 |
43 |
17 |
12843 |
312.5 |
6.4 |
0.255 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]T:404 |
14 |
1 |
479 |
f |
T |
x,y,z |
1_555 |
42 |
17 |
12709 |
301.5 |
6.1 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
307.0 |
6.2 |
0.257 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
M |
39 |
14 |
21302 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
30 |
14 |
21452 |
251.9 |
-0.3 |
0.544 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
S |
27 |
7 |
12843 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
28 |
7 |
21302 |
209.8 |
-0.6 |
0.536 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[SF4]T:401 |
8 |
1 |
311 |
f |
T |
x,y,z |
1_555 |
23 |
13 |
12709 |
186.2 |
-20.4 |
0.440 |
0 |
0 |
0 |
0.165 |
13 |
|
[SF4]S:401 |
8 |
1 |
310 |
f |
S |
x,y,z |
1_555 |
24 |
13 |
12843 |
185.0 |
-20.3 |
0.436 |
0 |
0 |
0 |
0.165 |
Average: |
185.6 |
-20.3 |
0.438 |
0 |
0 |
0 |
0.165 |
10 |
14 |
|
M |
19 |
7 |
21302 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
5 |
21452 |
185.5 |
1.0 |
0.572 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[F3S]S:402 |
7 |
1 |
305 |
f |
S |
x,y,z |
1_555 |
31 |
14 |
12843 |
182.6 |
-17.6 |
0.327 |
2 |
0 |
0 |
0.151 |
16 |
|
[F3S]T:402 |
7 |
1 |
303 |
f |
T |
x,y,z |
1_555 |
30 |
14 |
12709 |
181.0 |
-17.6 |
0.334 |
2 |
0 |
0 |
0.151 |
Average: |
181.8 |
-17.6 |
0.331 |
2 |
0 |
0 |
0.151 |
12 |
17 |
|
[SF3]S:403 |
7 |
1 |
325 |
f |
S |
x,y,z |
1_555 |
25 |
16 |
12843 |
167.7 |
-22.7 |
0.268 |
2 |
0 |
0 |
0.192 |
18 |
|
[SF3]T:403 |
7 |
1 |
323 |
f |
T |
x,y,z |
1_555 |
23 |
14 |
12709 |
166.5 |
-22.7 |
0.287 |
1 |
0 |
0 |
0.192 |
Average: |
167.1 |
-22.7 |
0.277 |
2 |
0 |
0 |
0.192 |
13 |
19 |
|
M |
18 |
7 |
21302 |
x |
M |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
6 |
21302 |
166.6 |
0.8 |
0.712 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[TRS]M:606 |
7 |
1 |
259 |
f |
M |
x,y,z |
1_555 |
18 |
7 |
21302 |
134.6 |
5.1 |
0.474 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[FCO]M:601 |
7 |
1 |
262 |
f |
M |
x,y,z |
1_555 |
16 |
10 |
21302 |
126.0 |
-1.7 |
0.264 |
0 |
0 |
0 |
0.014 |
22 |
|
[FCO]L:602 |
7 |
1 |
261 |
f |
L |
x,y,z |
1_555 |
17 |
11 |
21452 |
125.5 |
-1.7 |
0.285 |
0 |
0 |
0 |
0.014 |
Average: |
125.7 |
-1.7 |
0.274 |
0 |
0 |
0 |
0.014 |
16 |
23 |
|
T |
13 |
5 |
12709 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
21452 |
121.8 |
1.9 |
0.860 |
2 |
2 |
0 |
0.000 |
17 |
24 |
|
M |
11 |
5 |
21302 |
◊ |
S |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
2 |
12843 |
96.3 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
25 |
|
T |
7 |
2 |
12709 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
21452 |
61.5 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
Average: |
78.9 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[LI]M:605 |
1 |
1 |
130 |
f |
M |
x,y,z |
1_555 |
19 |
7 |
21302 |
91.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.045 |
27 |
|
[LI]L:605 |
1 |
1 |
130 |
f |
L |
x,y,z |
1_555 |
20 |
8 |
21452 |
88.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
89.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.045 |
19 |
28 |
|
[SO4]T:407 |
5 |
1 |
185 |
f |
T |
x,y,z |
1_555 |
12 |
5 |
12709 |
86.0 |
-12.1 |
0.755 |
3 |
0 |
0 |
0.095 |
20 |
29 |
|
[SO4]S:406 |
4 |
1 |
188 |
f |
S |
x,y,z |
1_555 |
15 |
5 |
12843 |
76.4 |
-10.8 |
0.777 |
2 |
0 |
0 |
0.096 |
21 |
30 |
|
[CL]S:405 |
1 |
1 |
125 |
f |
S |
x,y,z |
1_555 |
15 |
9 |
12843 |
73.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.097 |
31 |
|
[CL]T:405 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
15 |
9 |
12709 |
73.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
73.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.097 |
22 |
32 |
|
[CL]T:406 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
18 |
8 |
12709 |
69.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.081 |
23 |
33 |
|
[SO4]L:601 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
21452 |
68.6 |
-9.6 |
0.670 |
2 |
0 |
0 |
0.074 |
24 |
34 |
|
[SO4]M:604 |
4 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
21302 |
57.2 |
-6.5 |
0.933 |
2 |
0 |
0 |
0.060 |
25 |
35 |
|
[MG]L:604 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
21452 |
52.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.078 |
36 |
|
[MG]M:603 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
21302 |
52.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
52.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.078 |
26 |
37 |
|
[SF3]S:403 |
3 |
1 |
325 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
21452 |
52.1 |
-4.2 |
0.838 |
0 |
0 |
0 |
0.023 |
38 |
|
[SF3]T:403 |
3 |
1 |
323 |
◊ |
M |
x,y,z |
1_555 |
10 |
4 |
21302 |
51.3 |
-4.2 |
0.833 |
0 |
0 |
0 |
0.023 |
Average: |
51.7 |
-4.2 |
0.835 |
0 |
0 |
0 |
0.023 |
27 |
39 |
|
M |
4 |
2 |
21302 |
◊ |
[SO4]S:406 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
188 |
46.5 |
-5.7 |
0.945 |
2 |
0 |
0 |
0.002 |
28 |
40 |
|
T |
7 |
1 |
12709 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
21452 |
43.8 |
-0.6 |
0.206 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[SO4]L:601 |
3 |
1 |
184 |
◊ |
S |
x,y,z |
1_555 |
2 |
1 |
12843 |
41.6 |
-3.8 |
0.979 |
2 |
0 |
0 |
0.025 |
30 |
42 |
|
[SO4]M:604 |
3 |
1 |
187 |
◊ |
S |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
12843 |
38.7 |
-3.7 |
0.978 |
2 |
0 |
0 |
0.001 |
31 |
43 |
|
M |
4 |
2 |
21302 |
◊ |
S |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12843 |
36.9 |
0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[F3S]T:402 |
3 |
1 |
303 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21302 |
36.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
45 |
|
[F3S]S:402 |
3 |
1 |
305 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
21452 |
36.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
36.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
46 |
|
[NI]L:603 |
1 |
1 |
115 |
f |
[FCO]L:602 |
x,y,z |
1_555 |
3 |
1 |
261 |
32.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.049 |
47 |
|
[NI]M:602 |
1 |
1 |
115 |
f |
[FCO]M:601 |
x,y,z |
1_555 |
3 |
1 |
262 |
32.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
32.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.049 |
34 |
48 |
|
[TRS]M:606 |
4 |
1 |
259 |
f |
[SO4]M:604 |
x,y,z |
1_555 |
4 |
1 |
187 |
28.7 |
-2.8 |
0.999 |
0 |
0 |
0 |
0.023 |
35 |
49 |
|
L |
1 |
1 |
21452 |
◊ |
T |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
12709 |
27.0 |
-0.2 |
0.184 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[SO4]T:407 |
1 |
1 |
185 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
21452 |
16.3 |
-1.7 |
0.857 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[CL]T:406 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
21302 |
13.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
38 |
52 |
|
L |
3 |
2 |
21452 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
21302 |
13.3 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
L |
2 |
2 |
21452 |
x |
L |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
21452 |
5.1 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
T |
1 |
1 |
12709 |
◊ |
M |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
21302 |
1.8 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
|