| ## |
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 |
118 |
32 |
9325 |
◊ |
A |
x,y,z |
1_555 |
120 |
31 |
9348 |
1179.6 |
-11.0 |
0.218 |
23 |
8 |
0 |
0.263 |
2 |
|
H |
119 |
32 |
9305 |
◊ |
G |
x,y,z |
1_555 |
115 |
32 |
9322 |
1169.2 |
-11.2 |
0.218 |
25 |
9 |
0 |
0.263 |
3 |
|
D |
121 |
31 |
9429 |
◊ |
C |
x,y,z |
1_555 |
116 |
31 |
9360 |
1165.7 |
-10.5 |
0.211 |
22 |
8 |
0 |
0.263 |
4 |
|
F |
120 |
32 |
9130 |
◊ |
E |
x,y,z |
1_555 |
115 |
31 |
9325 |
1161.3 |
-10.6 |
0.213 |
23 |
8 |
0 |
0.263 |
| Average: |
1168.9 |
-10.8 |
0.215 |
23 |
8 |
0 |
0.263 |
| 2 |
5 |
|
E |
59 |
15 |
9325 |
x |
C |
x,y,z |
1_555 |
56 |
14 |
9360 |
517.9 |
-3.4 |
0.488 |
8 |
2 |
0 |
0.098 |
6 |
|
G |
54 |
14 |
9322 |
x |
C |
x,y,z |
1_555 |
52 |
14 |
9360 |
501.6 |
-1.4 |
0.612 |
6 |
3 |
0 |
0.098 |
7 |
|
G |
51 |
14 |
9322 |
x |
E |
x,y,z |
1_555 |
56 |
14 |
9325 |
497.2 |
-3.8 |
0.411 |
5 |
2 |
0 |
0.098 |
8 |
|
B |
51 |
13 |
9325 |
x |
B |
-y+1,x-y+1,z |
2_665 |
53 |
14 |
9325 |
497.1 |
-4.2 |
0.403 |
7 |
2 |
0 |
0.098 |
9 |
|
H |
52 |
14 |
9305 |
x |
H |
-y+1,x-y+1,z |
2_665 |
50 |
13 |
9305 |
495.4 |
-4.0 |
0.344 |
7 |
2 |
0 |
0.098 |
10 |
|
D |
53 |
13 |
9429 |
x |
A |
x,y,z |
1_555 |
50 |
14 |
9348 |
494.9 |
-2.3 |
0.506 |
7 |
2 |
0 |
0.098 |
11 |
|
F |
51 |
14 |
9130 |
x |
D |
-y+1,x-y+1,z |
2_665 |
53 |
14 |
9429 |
487.8 |
-1.9 |
0.535 |
5 |
2 |
0 |
0.098 |
12 |
|
F |
52 |
14 |
9130 |
x |
A |
-y+1,x-y+1,z |
2_665 |
50 |
13 |
9348 |
478.2 |
-3.0 |
0.478 |
6 |
2 |
0 |
0.098 |
| Average: |
496.3 |
-3.0 |
0.472 |
6 |
2 |
0 |
0.098 |
| 3 |
13 |
|
A |
49 |
13 |
9348 |
◊ |
E |
y-2/3,x-1/3,-z+2/3 |
16_445 |
55 |
17 |
9325 |
474.6 |
3.1 |
0.860 |
8 |
0 |
0 |
0.000 |
| 4 |
14 |
|
G |
34 |
9 |
9322 |
◊ |
H |
-y+1,x-y+1,z |
2_665 |
47 |
12 |
9305 |
390.3 |
-2.6 |
0.453 |
2 |
0 |
0 |
0.064 |
15 |
|
H |
40 |
11 |
9305 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
9360 |
388.6 |
-3.6 |
0.337 |
2 |
0 |
0 |
0.064 |
16 |
|
F |
44 |
12 |
9130 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
39 |
10 |
9360 |
387.8 |
-3.2 |
0.375 |
2 |
0 |
0 |
0.064 |
17 |
|
B |
45 |
12 |
9325 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
37 |
10 |
9348 |
373.1 |
-1.9 |
0.526 |
4 |
1 |
0 |
0.064 |
18 |
|
E |
45 |
13 |
9325 |
◊ |
D |
x,y,z |
1_555 |
38 |
11 |
9429 |
370.9 |
-2.4 |
0.425 |
2 |
2 |
0 |
0.064 |
19 |
|
G |
45 |
12 |
9322 |
◊ |
F |
x,y,z |
1_555 |
37 |
10 |
9130 |
364.5 |
-2.9 |
0.407 |
2 |
1 |
0 |
0.064 |
20 |
|
D |
44 |
12 |
9429 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
9325 |
356.5 |
-3.9 |
0.235 |
2 |
0 |
0 |
0.064 |
21 |
|
E |
33 |
10 |
9325 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
38 |
10 |
9348 |
333.6 |
-2.8 |
0.394 |
2 |
2 |
0 |
0.064 |
| Average: |
370.7 |
-2.9 |
0.394 |
2 |
1 |
0 |
0.064 |
| 5 |
22 |
|
[LFA]C:203 |
20 |
1 |
640 |
f |
C |
x,y,z |
1_555 |
36 |
12 |
9360 |
290.5 |
-1.6 |
0.072 |
0 |
0 |
0 |
0.032 |
23 |
|
[LFA]B:207 |
19 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
37 |
10 |
9348 |
275.1 |
-1.5 |
0.077 |
0 |
0 |
0 |
0.032 |
24 |
|
[LFA]H:205 |
20 |
1 |
643 |
f |
G |
x,y,z |
1_555 |
36 |
10 |
9322 |
272.2 |
-3.4 |
0.048 |
0 |
0 |
0 |
0.032 |
25 |
|
[LFA]F:205 |
20 |
1 |
638 |
f |
F |
x,y,z |
1_555 |
35 |
10 |
9130 |
270.2 |
-1.2 |
0.076 |
0 |
0 |
0 |
0.032 |
| Average: |
277.0 |
-1.9 |
0.068 |
0 |
0 |
0 |
0.032 |
| 6 |
26 |
|
[LFA]H:205 |
19 |
1 |
643 |
◊ |
H |
x,y,z |
1_555 |
35 |
11 |
9305 |
281.3 |
2.4 |
0.160 |
0 |
0 |
0 |
0.000 |
27 |
|
[LFA]B:207 |
19 |
1 |
641 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
9325 |
280.7 |
1.3 |
0.143 |
0 |
0 |
0 |
0.000 |
28 |
|
[LFA]F:205 |
19 |
1 |
638 |
◊ |
E |
x,y,z |
1_555 |
34 |
10 |
9325 |
273.0 |
2.6 |
0.180 |
0 |
0 |
0 |
0.000 |
29 |
|
[LFA]C:203 |
19 |
1 |
640 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
9429 |
271.0 |
3.2 |
0.181 |
0 |
0 |
0 |
0.000 |
| Average: |
276.5 |
2.4 |
0.166 |
0 |
0 |
0 |
0.000 |
| 7 |
30 |
|
C |
38 |
9 |
9360 |
◊ |
C |
y,x,-z+1 |
4_556 |
37 |
9 |
9360 |
280.2 |
0.9 |
0.758 |
0 |
0 |
0 |
0.000 |
| 8 |
31 |
|
H |
24 |
10 |
9305 |
◊ |
C |
y,x,-z+1 |
4_556 |
23 |
8 |
9360 |
188.5 |
0.5 |
0.696 |
2 |
0 |
0 |
0.000 |
| 9 |
32 |
|
[GOL]A:202 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9348 |
109.1 |
-0.4 |
0.565 |
3 |
0 |
0 |
0.017 |
| 10 |
33 |
|
[SO4]H:202 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
9305 |
109.1 |
-15.9 |
0.591 |
3 |
0 |
0 |
0.162 |
| 11 |
34 |
|
[GOL]B:203 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
9325 |
107.5 |
-0.5 |
0.567 |
3 |
0 |
0 |
0.017 |
| 12 |
35 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
9325 |
101.0 |
-14.9 |
0.585 |
3 |
0 |
0 |
0.154 |
| 13 |
36 |
|
[SO4]G:203 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
16 |
7 |
9322 |
99.2 |
-14.6 |
0.603 |
3 |
0 |
0 |
0.149 |
| 14 |
37 |
|
[SO4]D:201 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
9429 |
98.1 |
-14.8 |
0.558 |
2 |
0 |
0 |
0.192 |
| 15 |
38 |
|
[SO4]F:201 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
9130 |
92.5 |
-13.8 |
0.576 |
2 |
0 |
0 |
0.166 |
| 16 |
39 |
|
[SO4]E:203 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
9325 |
91.2 |
-13.4 |
0.733 |
0 |
0 |
0 |
0.152 |
| 17 |
40 |
|
E |
9 |
4 |
9325 |
◊ |
E |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
9 |
4 |
9325 |
85.1 |
1.1 |
0.809 |
0 |
0 |
0 |
0.000 |
| 18 |
41 |
|
G |
12 |
5 |
9322 |
◊ |
F |
x-y+1,-y+2,-z+1 |
5_676 |
10 |
3 |
9130 |
81.4 |
1.5 |
0.832 |
0 |
0 |
0 |
0.000 |
| 19 |
42 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9348 |
77.3 |
-11.2 |
0.733 |
4 |
0 |
0 |
0.123 |
| 20 |
43 |
|
[GOL]H:201 |
5 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
9305 |
75.9 |
-0.1 |
0.507 |
3 |
0 |
0 |
0.014 |
| 21 |
44 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
9429 |
74.5 |
-11.0 |
0.693 |
4 |
0 |
0 |
0.157 |
| 22 |
45 |
|
[SO4]B:205 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9325 |
73.6 |
-10.8 |
0.684 |
4 |
0 |
0 |
0.119 |
| 23 |
46 |
|
[SO4]G:201 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
9322 |
73.3 |
-10.9 |
0.686 |
4 |
0 |
0 |
0.119 |
| 24 |
47 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9348 |
72.8 |
-8.8 |
0.924 |
2 |
0 |
0 |
0.092 |
| 25 |
48 |
|
[SO4]F:202 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
9130 |
72.8 |
-10.6 |
0.687 |
3 |
0 |
0 |
0.135 |
| 26 |
49 |
|
[SO4]H:203 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
9305 |
71.8 |
-10.5 |
0.635 |
2 |
0 |
0 |
0.107 |
| 27 |
50 |
|
[SO4]C:202 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
9360 |
64.7 |
-8.2 |
0.861 |
1 |
0 |
0 |
0.105 |
| 28 |
51 |
|
[SO4]F:203 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
9130 |
64.3 |
-8.6 |
0.782 |
3 |
0 |
0 |
0.112 |
| 29 |
52 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
9348 |
63.6 |
-7.5 |
0.899 |
2 |
0 |
0 |
0.079 |
| 30 |
53 |
|
[SO4]B:206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
9325 |
63.2 |
-8.3 |
0.753 |
2 |
0 |
0 |
0.087 |
| 31 |
54 |
|
[SO4]G:202 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
9322 |
62.0 |
-7.6 |
0.837 |
2 |
0 |
0 |
0.080 |
| 32 |
55 |
|
[SO4]E:202 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
9325 |
61.3 |
-7.2 |
0.863 |
3 |
0 |
0 |
0.097 |
| 33 |
56 |
|
[SO4]D:203 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
9429 |
60.8 |
-7.9 |
0.796 |
3 |
0 |
0 |
0.113 |
| 34 |
57 |
|
[SO4]H:204 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
9305 |
60.8 |
-7.5 |
0.876 |
1 |
0 |
0 |
0.074 |
| 35 |
58 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9360 |
60.8 |
-8.5 |
0.608 |
2 |
0 |
0 |
0.115 |
| 36 |
59 |
|
[SO4]E:201 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
9325 |
60.6 |
-8.4 |
0.627 |
2 |
0 |
0 |
0.105 |
| 37 |
60 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9325 |
55.0 |
-7.5 |
0.645 |
2 |
0 |
0 |
0.079 |
| 38 |
61 |
|
E |
8 |
3 |
9325 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
7 |
2 |
9325 |
54.3 |
1.2 |
0.835 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
F |
8 |
3 |
9130 |
◊ |
[GOL]A:202 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
217 |
53.0 |
0.2 |
0.649 |
1 |
0 |
0 |
0.000 |
| 40 |
63 |
|
[GOL]B:203 |
4 |
1 |
216 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
6 |
3 |
9325 |
50.9 |
0.0 |
0.629 |
1 |
0 |
0 |
0.000 |
| 41 |
64 |
|
[SO4]F:204 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
9322 |
50.1 |
-5.8 |
0.777 |
1 |
0 |
0 |
0.012 |
| 42 |
65 |
|
[SO4]E:203 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
9360 |
48.3 |
-6.2 |
0.788 |
1 |
0 |
0 |
0.013 |
| 43 |
66 |
|
[SO4]F:204 |
4 |
1 |
184 |
f |
H |
-y+1,x-y+1,z |
2_665 |
5 |
3 |
9305 |
46.1 |
-4.9 |
0.822 |
4 |
0 |
0 |
0.062 |
| 44 |
67 |
|
[SO4]B:204 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
9429 |
44.2 |
-4.6 |
0.828 |
3 |
0 |
0 |
0.072 |
| 45 |
68 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
6 |
3 |
9348 |
43.4 |
-4.5 |
0.775 |
2 |
0 |
0 |
0.011 |
| 46 |
69 |
|
[SO4]F:204 |
3 |
1 |
184 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
4 |
2 |
9360 |
43.0 |
-4.3 |
0.796 |
1 |
0 |
0 |
0.010 |
| 47 |
70 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9325 |
41.7 |
-4.9 |
0.795 |
1 |
0 |
0 |
0.011 |
| 48 |
71 |
|
[SO4]B:204 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
9325 |
39.1 |
-4.1 |
0.771 |
1 |
0 |
0 |
0.009 |
| 49 |
72 |
|
G |
2 |
1 |
9322 |
◊ |
G |
y,x,-z+1 |
4_556 |
2 |
1 |
9322 |
38.6 |
-1.8 |
0.024 |
0 |
0 |
0 |
0.000 |
| 50 |
73 |
|
[SO4]F:201 |
4 |
1 |
184 |
◊ |
G |
x-y+1,-y+2,-z+1 |
5_676 |
3 |
1 |
9322 |
34.6 |
-3.2 |
0.930 |
1 |
0 |
0 |
0.000 |
| 51 |
74 |
|
[SO4]F:204 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9130 |
33.7 |
-3.5 |
0.709 |
1 |
0 |
0 |
0.008 |
| 52 |
75 |
|
F |
7 |
2 |
9130 |
◊ |
F |
x-y+1,-y+2,-z+1 |
5_676 |
7 |
2 |
9130 |
30.8 |
-0.4 |
0.519 |
0 |
0 |
0 |
0.000 |
| 53 |
76 |
|
H |
2 |
1 |
9305 |
◊ |
D |
y,x,-z+1 |
4_556 |
3 |
1 |
9429 |
30.6 |
0.5 |
0.798 |
1 |
0 |
0 |
0.000 |
| 54 |
77 |
|
H |
4 |
2 |
9305 |
◊ |
F |
-x+1,-x+y,-z+1 |
6_656 |
4 |
2 |
9130 |
30.2 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
| 55 |
78 |
|
[SO4]B:204 |
4 |
1 |
185 |
◊ |
E |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
4 |
1 |
9325 |
26.4 |
-2.0 |
0.906 |
1 |
0 |
0 |
0.000 |
| 56 |
79 |
|
[SO4]F:204 |
4 |
1 |
184 |
◊ |
F |
x-y+1,-y+2,-z+1 |
5_676 |
1 |
1 |
9130 |
24.3 |
-1.7 |
0.955 |
2 |
0 |
0 |
0.000 |
| 57 |
80 |
|
E |
3 |
1 |
9325 |
◊ |
D |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
2 |
1 |
9429 |
23.0 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
| 58 |
81 |
|
G |
5 |
2 |
9322 |
◊ |
C |
y,x,-z+1 |
4_556 |
4 |
2 |
9360 |
21.0 |
0.3 |
0.620 |
0 |
0 |
0 |
0.000 |
| 59 |
82 |
|
[SO4]A:201 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9325 |
18.4 |
-1.9 |
0.835 |
0 |
0 |
0 |
0.018 |
| 60 |
83 |
|
G |
3 |
2 |
9322 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
9360 |
16.6 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
84 |
|
E |
1 |
1 |
9325 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9325 |
9.5 |
0.3 |
0.844 |
0 |
0 |
0 |
0.000 |
85 |
|
D |
1 |
1 |
9429 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
9348 |
1.7 |
0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
9.3 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
| 61 |
86 |
|
[SO4]H:202 |
4 |
1 |
185 |
◊ |
C |
y,x,-z+1 |
4_556 |
4 |
2 |
9360 |
16.5 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.000 |
| 62 |
87 |
|
C |
3 |
1 |
9360 |
◊ |
B |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
2 |
1 |
9325 |
12.8 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
| 63 |
88 |
|
F |
3 |
2 |
9130 |
◊ |
F |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
3 |
2 |
9130 |
12.6 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
| 64 |
89 |
|
[SO4]D:201 |
3 |
1 |
184 |
◊ |
D |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
2 |
1 |
9429 |
11.2 |
-1.1 |
0.885 |
0 |
0 |
0 |
0.000 |
| 65 |
90 |
|
C |
1 |
1 |
9360 |
◊ |
F |
-x+1,-x+y,-z+1 |
6_656 |
1 |
1 |
9130 |
4.8 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
| 66 |
91 |
|
[SO4]G:201 |
1 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9305 |
3.5 |
-0.4 |
0.897 |
0 |
0 |
0 |
0.003 |
| 67 |
92 |
|
A |
1 |
1 |
9348 |
◊ |
F |
y-2/3,x-1/3,-z+2/3 |
16_445 |
3 |
1 |
9130 |
3.4 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 68 |
93 |
|
[SO4]D:202 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9360 |
2.4 |
-0.2 |
0.883 |
0 |
0 |
0 |
0.003 |
| 69 |
94 |
|
[SO4]A:203 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9325 |
1.8 |
-0.2 |
0.876 |
0 |
0 |
0 |
0.002 |
|