## |
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 |
101 |
24 |
20478 |
◊ |
A |
x,y,z |
1_555 |
94 |
23 |
20718 |
915.3 |
-11.1 |
0.108 |
7 |
3 |
0 |
0.104 |
2 |
|
D |
96 |
24 |
20196 |
◊ |
C |
x,y,z |
1_555 |
91 |
23 |
20048 |
906.8 |
-13.3 |
0.043 |
5 |
0 |
0 |
0.104 |
Average: |
911.1 |
-12.2 |
0.075 |
6 |
2 |
0 |
0.104 |
2 |
3 |
|
C |
75 |
22 |
20048 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
77 |
30 |
20196 |
715.5 |
1.5 |
0.772 |
8 |
1 |
0 |
0.000 |
3 |
4 |
|
[G0W]C:550 |
42 |
1 |
991 |
f |
C |
x,y,z |
1_555 |
100 |
30 |
20048 |
637.7 |
-11.9 |
0.430 |
4 |
0 |
0 |
0.096 |
5 |
|
[G0W]A:550 |
44 |
1 |
973 |
f |
A |
x,y,z |
1_555 |
101 |
31 |
20718 |
631.5 |
-12.3 |
0.368 |
3 |
0 |
0 |
0.096 |
Average: |
634.6 |
-12.1 |
0.399 |
4 |
0 |
0 |
0.096 |
4 |
6 |
|
D |
63 |
21 |
20196 |
◊ |
A |
x,y,z |
1_555 |
70 |
18 |
20718 |
579.1 |
-5.5 |
0.229 |
3 |
0 |
0 |
0.041 |
7 |
|
C |
57 |
16 |
20048 |
◊ |
B |
x,y,z |
1_555 |
52 |
16 |
20478 |
503.2 |
-4.6 |
0.231 |
4 |
0 |
0 |
0.041 |
Average: |
541.1 |
-5.1 |
0.230 |
4 |
0 |
0 |
0.041 |
5 |
8 |
|
[G0W]D:550 |
30 |
1 |
693 |
f |
D |
x,y,z |
1_555 |
86 |
27 |
20196 |
515.7 |
-9.1 |
0.394 |
3 |
0 |
0 |
0.069 |
9 |
|
[G0W]B:550 |
30 |
1 |
685 |
f |
B |
x,y,z |
1_555 |
86 |
28 |
20478 |
515.0 |
-8.9 |
0.477 |
2 |
0 |
0 |
0.069 |
Average: |
515.4 |
-9.0 |
0.435 |
3 |
0 |
0 |
0.069 |
6 |
10 |
|
A |
41 |
15 |
20718 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
16 |
20478 |
429.8 |
-4.1 |
0.236 |
2 |
3 |
0 |
0.000 |
7 |
11 |
|
A |
40 |
13 |
20718 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
20 |
20048 |
419.9 |
-2.6 |
0.410 |
4 |
4 |
0 |
0.000 |
8 |
12 |
|
[G0W]C:550 |
19 |
1 |
991 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
20478 |
189.9 |
-2.4 |
0.667 |
2 |
0 |
0 |
0.020 |
13 |
|
[G0W]A:550 |
17 |
1 |
973 |
◊ |
D |
x,y,z |
1_555 |
25 |
8 |
20196 |
187.9 |
-3.2 |
0.521 |
0 |
0 |
0 |
0.020 |
Average: |
188.9 |
-2.8 |
0.594 |
1 |
0 |
0 |
0.020 |
9 |
14 |
|
[NAG]B:561 |
13 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
20478 |
145.5 |
4.0 |
0.389 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[NAG]D:561 |
13 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
22 |
8 |
20196 |
141.8 |
3.6 |
0.345 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]D:1540 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
20196 |
91.2 |
-13.4 |
0.835 |
7 |
0 |
0 |
0.103 |
12 |
17 |
|
[SO4]C:1541 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
20048 |
87.1 |
-13.3 |
0.806 |
7 |
0 |
0 |
0.102 |
13 |
18 |
|
[SO4]B:1542 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
20478 |
83.3 |
-12.7 |
0.684 |
5 |
0 |
0 |
0.106 |
14 |
19 |
|
[NAG]B:560 |
10 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
13 |
5 |
20478 |
82.9 |
2.3 |
0.333 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[NAG]C:560 |
9 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
10 |
3 |
20048 |
82.4 |
2.6 |
0.334 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[NAG]A:560 |
8 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
20718 |
81.4 |
2.4 |
0.397 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[NAG]D:560 |
10 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
20196 |
79.4 |
2.3 |
0.294 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[CL]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20718 |
77.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.127 |
24 |
|
[CL]B:607 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20478 |
75.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.127 |
25 |
|
[CL]C:608 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
20048 |
74.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
75.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.127 |
19 |
26 |
|
[CL]A:609 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20718 |
71.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.063 |
20 |
27 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20478 |
70.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.110 |
28 |
|
[CL]A:604 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
20718 |
70.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.110 |
29 |
|
[CL]C:606 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
20048 |
65.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
69.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.110 |
21 |
30 |
|
[CL]D:605 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
20196 |
67.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.056 |
22 |
31 |
|
[CL]A:611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
20718 |
65.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.055 |
23 |
32 |
|
[CL]D:610 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
20196 |
64.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.092 |
33 |
|
[CL]C:609 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
20048 |
60.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
62.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.092 |
24 |
34 |
|
[CL]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20718 |
63.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.061 |
25 |
35 |
|
[CL]C:607 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
20048 |
61.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.045 |
26 |
36 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20718 |
59.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.059 |
27 |
37 |
|
C |
11 |
6 |
20048 |
f |
[CL]D:609 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
56.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.035 |
28 |
38 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20718 |
56.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
39 |
|
[CL]B:605 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20478 |
54.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
|
[CL]D:606 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
20196 |
52.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[CL]C:603 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20048 |
46.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
52.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
42 |
|
[CL]C:610 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
20048 |
55.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.081 |
43 |
|
[CL]C:610 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
20196 |
55.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.081 |
44 |
|
[CL]A:610 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
20478 |
53.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.081 |
45 |
|
[CL]A:610 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
20718 |
49.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
53.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.081 |
30 |
46 |
|
[CL]D:607 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
20196 |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.034 |
47 |
|
[CL]A:608 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20718 |
41.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
43.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.034 |
31 |
48 |
|
[CL]D:608 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
20196 |
44.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
49 |
|
[CL]C:611 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
20048 |
43.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
43.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
32 |
50 |
|
[CL]C:605 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
20048 |
41.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.031 |
33 |
51 |
|
[CL]C:607 |
1 |
1 |
125 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
2 |
20196 |
41.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
[CL]B:608 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20478 |
40.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.034 |
53 |
|
[CL]C:612 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
20048 |
38.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
39.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.034 |
35 |
54 |
|
[CL]D:609 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
20196 |
21.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
A |
3 |
2 |
20718 |
◊ |
[G0W]C:550 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
991 |
19.1 |
-0.6 |
0.371 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[CL]C:603 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
20196 |
17.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
57 |
|
[CL]A:607 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
20478 |
15.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
58 |
|
[CL]D:606 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20048 |
14.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
59 |
|
[CL]B:605 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20718 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.017 |
38 |
60 |
|
[CL]A:611 |
1 |
1 |
125 |
f |
[CL]A:608 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
39 |
61 |
|
[CL]A:609 |
1 |
1 |
125 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
20048 |
10.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
62 |
|
[CL]B:608 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20048 |
7.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
63 |
|
[SO4]C:1541 |
1 |
1 |
184 |
f |
[CL]C:609 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
42 |
64 |
|
[SO4]D:1540 |
2 |
1 |
184 |
f |
[CL]D:610 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
|