| ## |
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 |
|
J |
85 |
28 |
5651 |
◊ |
K |
x,y,z |
1_555 |
85 |
22 |
4543 |
805.9 |
-0.3 |
0.592 |
14 |
2 |
0 |
0.000 |
2 |
|
D |
80 |
25 |
5686 |
◊ |
E |
x,y,z |
1_555 |
88 |
22 |
4826 |
799.3 |
0.0 |
0.599 |
15 |
3 |
0 |
0.000 |
3 |
|
L |
78 |
26 |
6167 |
◊ |
G |
x,y,z |
1_555 |
88 |
22 |
4727 |
763.2 |
-0.1 |
0.621 |
9 |
2 |
0 |
0.000 |
4 |
|
H |
77 |
24 |
6035 |
◊ |
I |
x,y,z |
1_555 |
92 |
22 |
4679 |
757.5 |
0.3 |
0.589 |
12 |
3 |
0 |
0.000 |
5 |
|
F |
76 |
22 |
5640 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
4705 |
696.5 |
-2.1 |
0.435 |
7 |
1 |
0 |
0.000 |
6 |
|
B |
69 |
22 |
5765 |
◊ |
C |
x,y,z |
1_555 |
75 |
19 |
4575 |
672.8 |
-0.7 |
0.583 |
12 |
1 |
0 |
0.000 |
| Average: |
749.2 |
-0.5 |
0.570 |
12 |
2 |
0 |
0.000 |
| 2 |
7 |
|
F |
78 |
24 |
5640 |
◊ |
E |
x,y,z |
1_555 |
86 |
23 |
4826 |
784.1 |
-9.8 |
0.134 |
8 |
5 |
0 |
0.911 |
8 |
|
H |
76 |
23 |
6035 |
◊ |
G |
x,y,z |
1_555 |
80 |
22 |
4727 |
758.8 |
-7.9 |
0.169 |
10 |
5 |
0 |
0.911 |
9 |
|
L |
75 |
24 |
6167 |
◊ |
K |
x,y,z |
1_555 |
79 |
20 |
4543 |
758.0 |
-8.7 |
0.145 |
7 |
3 |
0 |
0.911 |
10 |
|
J |
75 |
22 |
5651 |
◊ |
I |
x,y,z |
1_555 |
82 |
22 |
4679 |
749.0 |
-8.0 |
0.163 |
9 |
4 |
0 |
0.911 |
11 |
|
D |
69 |
22 |
5686 |
◊ |
C |
x,y,z |
1_555 |
78 |
20 |
4575 |
739.3 |
-8.4 |
0.162 |
9 |
4 |
0 |
0.911 |
12 |
|
B |
71 |
21 |
5765 |
◊ |
A |
x,y,z |
1_555 |
79 |
21 |
4705 |
739.1 |
-7.3 |
0.165 |
10 |
5 |
0 |
0.911 |
| Average: |
754.7 |
-8.4 |
0.156 |
9 |
4 |
0 |
0.911 |
| 3 |
13 |
|
J |
42 |
10 |
5651 |
◊ |
F |
x,y,z |
1_555 |
38 |
9 |
5640 |
338.5 |
-3.1 |
0.304 |
6 |
0 |
0 |
0.114 |
14 |
|
D |
37 |
9 |
5686 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
41 |
9 |
6035 |
323.5 |
-2.5 |
0.350 |
5 |
0 |
0 |
0.114 |
15 |
|
L |
36 |
8 |
6167 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
39 |
8 |
5765 |
314.0 |
-2.5 |
0.370 |
5 |
0 |
0 |
0.114 |
| Average: |
325.3 |
-2.7 |
0.341 |
5 |
0 |
0 |
0.114 |
| 4 |
16 |
|
L |
38 |
10 |
6167 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
35 |
11 |
4705 |
327.5 |
-1.8 |
0.401 |
3 |
0 |
0 |
0.076 |
| 5 |
17 |
|
L |
26 |
9 |
6167 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
27 |
11 |
5640 |
243.7 |
0.5 |
0.542 |
4 |
0 |
0 |
0.000 |
| 6 |
18 |
|
J |
25 |
7 |
5651 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
7 |
5640 |
243.0 |
-0.5 |
0.507 |
2 |
0 |
0 |
0.000 |
19 |
|
H |
26 |
7 |
6035 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
20 |
6 |
5686 |
228.8 |
-1.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| Average: |
235.9 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
| 7 |
20 |
|
J |
20 |
7 |
5651 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
4 |
6035 |
164.9 |
0.4 |
0.557 |
3 |
0 |
0 |
0.000 |
21 |
|
D |
20 |
7 |
5686 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
4 |
5765 |
164.4 |
0.4 |
0.577 |
2 |
0 |
0 |
0.000 |
| Average: |
164.7 |
0.4 |
0.567 |
3 |
0 |
0 |
0.000 |
| 8 |
22 |
|
G |
19 |
7 |
4727 |
◊ |
B |
x,y,z-1 |
1_554 |
14 |
3 |
5765 |
153.3 |
-1.5 |
0.376 |
0 |
1 |
0 |
0.000 |
| 9 |
23 |
|
[CIT]B:702 |
11 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
5765 |
150.1 |
0.2 |
0.376 |
3 |
0 |
0 |
0.056 |
| 10 |
24 |
|
L |
12 |
4 |
6167 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
6 |
5765 |
127.4 |
0.7 |
0.662 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
[GOL]A:614 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
4705 |
122.7 |
-0.8 |
0.440 |
2 |
0 |
0 |
0.082 |
| 12 |
26 |
|
[GOL]I:602 |
6 |
1 |
224 |
f |
I |
x,y,z |
1_555 |
21 |
8 |
4679 |
122.6 |
0.5 |
0.616 |
7 |
0 |
0 |
0.179 |
| 13 |
27 |
|
[GOL]D:604 |
6 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
5686 |
117.3 |
-0.6 |
0.453 |
2 |
0 |
0 |
0.100 |
| 14 |
28 |
|
[CIT]I:703 |
9 |
1 |
325 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
4679 |
115.6 |
1.0 |
0.442 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[GOL]L:605 |
6 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
16 |
7 |
6167 |
115.5 |
0.1 |
0.544 |
3 |
0 |
0 |
0.100 |
| 16 |
30 |
|
[GOL]F:609 |
6 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
5640 |
113.3 |
-0.2 |
0.565 |
2 |
0 |
0 |
0.058 |
| 17 |
31 |
|
[GOL]B:611 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
5765 |
111.8 |
0.0 |
0.532 |
2 |
0 |
0 |
0.042 |
| 18 |
32 |
|
[GOL]H:601 |
6 |
1 |
224 |
f |
H |
x,y,z |
1_555 |
22 |
6 |
6035 |
110.7 |
0.4 |
0.601 |
3 |
0 |
0 |
0.053 |
| 19 |
33 |
|
[CIT]G:701 |
9 |
1 |
319 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
4727 |
110.0 |
0.6 |
0.443 |
2 |
0 |
0 |
0.017 |
| 20 |
34 |
|
[CIT]B:702 |
10 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
4575 |
108.3 |
-0.4 |
0.349 |
1 |
0 |
0 |
0.000 |
| 21 |
35 |
|
K |
15 |
6 |
4543 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
5640 |
106.6 |
0.3 |
0.621 |
1 |
0 |
0 |
0.000 |
36 |
|
H |
10 |
2 |
6035 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
5 |
4826 |
98.9 |
1.0 |
0.719 |
2 |
2 |
0 |
0.000 |
| Average: |
102.8 |
0.6 |
0.670 |
2 |
1 |
0 |
0.000 |
| 22 |
37 |
|
[GOL]B:608 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
5765 |
100.4 |
-0.2 |
0.530 |
3 |
0 |
0 |
0.073 |
38 |
|
[GOL]G:603 |
6 |
1 |
225 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
6035 |
92.6 |
-0.4 |
0.469 |
2 |
0 |
0 |
0.073 |
| Average: |
96.5 |
-0.3 |
0.500 |
3 |
0 |
0 |
0.073 |
| 23 |
39 |
|
L |
16 |
6 |
6167 |
◊ |
[GOL]A:607 |
-x+3/2,-y+1,z-1/2 |
2_664 |
6 |
1 |
225 |
100.4 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.006 |
| 24 |
40 |
|
[GOL]F:610 |
6 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
5640 |
100.3 |
0.1 |
0.563 |
3 |
0 |
0 |
0.067 |
| 25 |
41 |
|
[GOL]E:612 |
5 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
4826 |
88.1 |
0.6 |
0.710 |
4 |
0 |
0 |
0.100 |
| 26 |
42 |
|
[GOL]C:606 |
6 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
11 |
2 |
4575 |
87.8 |
-0.5 |
0.498 |
2 |
0 |
0 |
0.100 |
| 27 |
43 |
|
[GOL]A:607 |
6 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4705 |
86.2 |
-0.6 |
0.373 |
1 |
0 |
0 |
0.054 |
| 28 |
44 |
|
[GOL]F:613 |
6 |
1 |
223 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
5640 |
77.6 |
0.5 |
0.604 |
2 |
0 |
0 |
0.021 |
| 29 |
45 |
|
[CIT]I:703 |
9 |
1 |
325 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
5651 |
72.0 |
2.4 |
0.528 |
4 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[CIT]G:701 |
7 |
1 |
319 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
6035 |
71.2 |
1.5 |
0.451 |
6 |
0 |
0 |
0.067 |
| 31 |
47 |
|
[GOL]H:601 |
5 |
1 |
224 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
4679 |
69.7 |
0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
[GOL]E:612 |
6 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
5640 |
67.7 |
1.6 |
0.815 |
4 |
0 |
0 |
0.012 |
| 33 |
49 |
|
[GOL]F:610 |
4 |
1 |
222 |
◊ |
E |
x,y,z |
1_555 |
10 |
2 |
4826 |
63.6 |
0.6 |
0.705 |
3 |
0 |
0 |
0.040 |
| 34 |
50 |
|
[GOL]B:608 |
4 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
4705 |
61.4 |
0.7 |
0.693 |
5 |
0 |
0 |
0.073 |
51 |
|
[GOL]G:603 |
5 |
1 |
225 |
◊ |
G |
x,y,z |
1_555 |
11 |
2 |
4727 |
58.2 |
0.6 |
0.690 |
3 |
0 |
0 |
0.073 |
| Average: |
59.8 |
0.7 |
0.692 |
4 |
0 |
0 |
0.073 |
| 35 |
52 |
|
[GOL]F:613 |
4 |
1 |
223 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
5651 |
57.0 |
0.3 |
0.599 |
1 |
0 |
0 |
0.000 |
| 36 |
53 |
|
[GOL]B:611 |
5 |
1 |
224 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
4575 |
54.0 |
0.5 |
0.691 |
1 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[GOL]F:613 |
5 |
1 |
223 |
f |
[GOL]F:609 |
x,y,z |
1_555 |
2 |
1 |
222 |
40.1 |
0.8 |
0.686 |
2 |
0 |
0 |
0.003 |
| 38 |
55 |
|
G |
4 |
1 |
4727 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
5640 |
39.7 |
1.3 |
0.845 |
0 |
2 |
0 |
0.000 |
| 39 |
56 |
|
D |
5 |
3 |
5686 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
3 |
4727 |
36.0 |
-0.2 |
0.468 |
0 |
0 |
0 |
0.000 |
57 |
|
J |
4 |
3 |
5651 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
4826 |
34.8 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
-0.3 |
0.486 |
0 |
0 |
0 |
0.000 |
| 40 |
58 |
|
[GOL]C:606 |
2 |
1 |
224 |
◊ |
[GOL]B:611 |
x,y,z |
1_555 |
4 |
1 |
224 |
35.2 |
-0.2 |
0.605 |
1 |
0 |
0 |
0.000 |
| 41 |
59 |
|
[GOL]C:606 |
4 |
1 |
224 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
5765 |
33.9 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
| 42 |
60 |
|
[GOL]G:603 |
3 |
1 |
225 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
4679 |
19.3 |
0.7 |
0.704 |
0 |
0 |
0 |
0.000 |
61 |
|
[GOL]B:608 |
4 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
4575 |
16.4 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.5 |
0.677 |
0 |
0 |
0 |
0.000 |
| 43 |
62 |
|
[CIT]G:701 |
4 |
1 |
319 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
4679 |
15.2 |
0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
| 44 |
63 |
|
[CIT]G:701 |
1 |
1 |
319 |
f |
[GOL]H:601 |
x,y,z |
1_555 |
2 |
1 |
224 |
11.4 |
0.2 |
0.312 |
0 |
0 |
0 |
0.000 |
| 45 |
64 |
|
[CIT]G:701 |
1 |
1 |
319 |
f |
[GOL]G:603 |
x,y,z |
1_555 |
1 |
1 |
225 |
10.6 |
-0.6 |
0.289 |
0 |
0 |
0 |
0.031 |
| 46 |
65 |
|
I |
1 |
1 |
4679 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
4826 |
9.1 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
66 |
|
K |
1 |
1 |
4543 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
4705 |
1.1 |
0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
| 47 |
67 |
|
D |
2 |
1 |
5686 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5765 |
8.0 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
| 48 |
68 |
|
I |
2 |
2 |
4679 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
4727 |
6.1 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
69 |
|
K |
2 |
2 |
4543 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
4679 |
1.8 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
70 |
|
E |
1 |
1 |
4826 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4575 |
1.4 |
0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
| 49 |
71 |
|
[CIT]I:703 |
2 |
1 |
325 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
4543 |
5.9 |
0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
C |
3 |
1 |
4575 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
6035 |
5.2 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 51 |
73 |
|
D |
1 |
1 |
5686 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
6167 |
4.7 |
0.1 |
0.708 |
0 |
0 |
0 |
0.000 |
74 |
|
J |
1 |
1 |
5651 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5686 |
3.7 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
| Average: |
4.2 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
| 52 |
75 |
|
[GOL]F:610 |
1 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4705 |
4.4 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
| 53 |
76 |
|
[GOL]D:604 |
1 |
1 |
223 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4826 |
4.1 |
-0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
| 54 |
77 |
|
L |
2 |
1 |
6167 |
◊ |
[GOL]F:609 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
222 |
3.6 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
| 55 |
78 |
|
H |
2 |
1 |
6035 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5640 |
3.3 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 56 |
79 |
|
[GOL]F:609 |
1 |
1 |
222 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
5651 |
2.6 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 57 |
80 |
|
L |
1 |
1 |
6167 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
5651 |
1.2 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 58 |
81 |
|
L |
1 |
1 |
6167 |
◊ |
[GOL]A:614 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
222 |
0.4 |
-0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
|