| ## |
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 |
|
V |
109 |
31 |
8687 |
◊ |
Q |
x,y,z |
1_555 |
111 |
30 |
8649 |
1122.4 |
-13.0 |
0.073 |
8 |
0 |
0 |
1.000 |
2 |
|
H |
110 |
30 |
8649 |
◊ |
G |
x,y,z |
1_555 |
112 |
30 |
8668 |
1116.6 |
-13.1 |
0.081 |
8 |
0 |
0 |
1.000 |
3 |
|
U |
107 |
30 |
8651 |
◊ |
R |
x,y,z |
1_555 |
109 |
30 |
8668 |
1116.3 |
-13.0 |
0.071 |
8 |
0 |
0 |
1.000 |
4 |
|
M |
110 |
30 |
8656 |
◊ |
J |
x,y,z |
1_555 |
111 |
30 |
8669 |
1115.6 |
-13.0 |
0.073 |
8 |
0 |
0 |
1.000 |
5 |
|
P |
110 |
30 |
8671 |
◊ |
O |
x,y,z |
1_555 |
108 |
30 |
8685 |
1115.6 |
-13.1 |
0.068 |
8 |
0 |
0 |
1.000 |
6 |
|
E |
112 |
30 |
8662 |
◊ |
B |
x,y,z |
1_555 |
107 |
30 |
8701 |
1114.7 |
-12.9 |
0.076 |
8 |
0 |
0 |
1.000 |
7 |
|
F |
109 |
30 |
8659 |
◊ |
A |
x,y,z |
1_555 |
107 |
30 |
8819 |
1113.0 |
-12.9 |
0.074 |
8 |
0 |
0 |
1.000 |
8 |
|
N |
108 |
30 |
8673 |
◊ |
I |
x,y,z |
1_555 |
108 |
30 |
8735 |
1112.1 |
-13.1 |
0.066 |
8 |
0 |
0 |
1.000 |
9 |
|
L |
110 |
30 |
8667 |
◊ |
K |
x,y,z |
1_555 |
110 |
30 |
8667 |
1110.6 |
-12.9 |
0.076 |
8 |
0 |
0 |
1.000 |
10 |
|
T |
110 |
30 |
8684 |
◊ |
S |
x,y,z |
1_555 |
107 |
30 |
8664 |
1109.4 |
-13.0 |
0.070 |
8 |
0 |
0 |
1.000 |
11 |
|
X |
109 |
30 |
8658 |
◊ |
W |
x,y,z |
1_555 |
107 |
30 |
8659 |
1107.0 |
-12.9 |
0.073 |
8 |
0 |
0 |
1.000 |
12 |
|
D |
108 |
30 |
8655 |
◊ |
C |
x,y,z |
1_555 |
108 |
30 |
8668 |
1106.8 |
-13.0 |
0.079 |
8 |
0 |
0 |
1.000 |
| Average: |
1113.4 |
-13.0 |
0.073 |
8 |
0 |
0 |
1.000 |
| 2 |
13 |
|
E |
55 |
14 |
8662 |
◊ |
D |
x,y,z |
1_555 |
51 |
18 |
8655 |
507.4 |
-4.8 |
0.244 |
2 |
2 |
0 |
0.307 |
14 |
|
C |
53 |
14 |
8668 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
8819 |
506.7 |
-4.7 |
0.262 |
2 |
2 |
0 |
0.307 |
15 |
|
J |
54 |
14 |
8669 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
8701 |
504.4 |
-4.8 |
0.234 |
2 |
2 |
0 |
0.307 |
16 |
|
M |
49 |
17 |
8656 |
◊ |
F |
x,y,z |
1_555 |
53 |
13 |
8659 |
501.4 |
-4.7 |
0.237 |
2 |
2 |
0 |
0.307 |
17 |
|
V |
50 |
17 |
8687 |
◊ |
D |
x,y,z |
1_555 |
52 |
14 |
8655 |
499.6 |
-4.9 |
0.227 |
2 |
2 |
0 |
0.307 |
18 |
|
K |
52 |
13 |
8667 |
◊ |
I |
x,y,z |
1_555 |
51 |
17 |
8735 |
497.7 |
-4.7 |
0.234 |
2 |
2 |
0 |
0.307 |
19 |
|
G |
49 |
17 |
8668 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
8819 |
497.3 |
-4.8 |
0.234 |
2 |
2 |
0 |
0.307 |
20 |
|
S |
53 |
14 |
8664 |
◊ |
Q |
x,y,z |
1_555 |
50 |
17 |
8649 |
497.1 |
-4.8 |
0.238 |
2 |
2 |
0 |
0.307 |
21 |
|
X |
54 |
14 |
8658 |
◊ |
H |
x,y,z |
1_555 |
52 |
17 |
8649 |
495.8 |
-4.8 |
0.248 |
2 |
2 |
0 |
0.307 |
22 |
|
T |
50 |
14 |
8684 |
◊ |
N |
x,y,z |
1_555 |
50 |
17 |
8673 |
494.3 |
-4.7 |
0.228 |
2 |
2 |
0 |
0.307 |
23 |
|
R |
51 |
15 |
8668 |
◊ |
J |
x,y,z |
1_555 |
50 |
17 |
8669 |
493.8 |
-4.7 |
0.235 |
2 |
2 |
0 |
0.307 |
24 |
|
O |
51 |
14 |
8685 |
◊ |
K |
x,y,z |
1_555 |
49 |
17 |
8667 |
493.7 |
-4.7 |
0.231 |
2 |
2 |
0 |
0.307 |
25 |
|
P |
52 |
17 |
8671 |
◊ |
H |
x,y,z |
1_555 |
50 |
13 |
8649 |
492.9 |
-4.7 |
0.248 |
2 |
2 |
0 |
0.307 |
26 |
|
U |
51 |
17 |
8651 |
◊ |
N |
x,y,z |
1_555 |
53 |
14 |
8673 |
491.9 |
-4.7 |
0.246 |
2 |
2 |
0 |
0.307 |
27 |
|
R |
51 |
17 |
8668 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
8701 |
490.9 |
-4.8 |
0.228 |
2 |
2 |
0 |
0.307 |
28 |
|
U |
48 |
13 |
8651 |
◊ |
T |
x,y,z |
1_555 |
49 |
17 |
8684 |
489.9 |
-4.7 |
0.225 |
2 |
2 |
0 |
0.307 |
29 |
|
W |
48 |
14 |
8659 |
◊ |
S |
x,y,z |
1_555 |
49 |
16 |
8664 |
489.8 |
-4.6 |
0.236 |
2 |
2 |
0 |
0.307 |
30 |
|
M |
50 |
12 |
8656 |
◊ |
L |
x,y,z |
1_555 |
49 |
17 |
8667 |
489.2 |
-4.7 |
0.230 |
2 |
2 |
0 |
0.307 |
31 |
|
V |
49 |
15 |
8687 |
◊ |
E |
x,y,z |
1_555 |
49 |
17 |
8662 |
489.2 |
-4.6 |
0.235 |
2 |
2 |
0 |
0.307 |
32 |
|
X |
48 |
17 |
8658 |
◊ |
P |
x,y,z |
1_555 |
50 |
13 |
8671 |
487.4 |
-4.5 |
0.247 |
2 |
2 |
0 |
0.307 |
33 |
|
G |
50 |
15 |
8668 |
◊ |
C |
x,y,z |
1_555 |
48 |
17 |
8668 |
486.8 |
-4.6 |
0.247 |
2 |
2 |
0 |
0.307 |
34 |
|
L |
50 |
15 |
8667 |
◊ |
F |
x,y,z |
1_555 |
48 |
17 |
8659 |
486.7 |
-4.6 |
0.242 |
2 |
2 |
0 |
0.307 |
35 |
|
O |
49 |
17 |
8685 |
◊ |
I |
x,y,z |
1_555 |
47 |
13 |
8735 |
485.9 |
-4.6 |
0.221 |
2 |
2 |
0 |
0.307 |
36 |
|
W |
52 |
18 |
8659 |
◊ |
Q |
x,y,z |
1_555 |
49 |
14 |
8649 |
485.8 |
-4.8 |
0.224 |
2 |
2 |
0 |
0.307 |
| Average: |
494.0 |
-4.7 |
0.237 |
2 |
2 |
0 |
0.307 |
| 3 |
37 |
|
W |
45 |
14 |
8659 |
◊ |
H |
x,y,z |
1_555 |
47 |
10 |
8649 |
476.1 |
-1.4 |
0.401 |
7 |
4 |
0 |
0.263 |
38 |
|
T |
46 |
14 |
8684 |
◊ |
Q |
x,y,z |
1_555 |
47 |
11 |
8649 |
474.5 |
-1.4 |
0.389 |
7 |
3 |
0 |
0.263 |
39 |
|
P |
45 |
14 |
8671 |
◊ |
K |
x,y,z |
1_555 |
46 |
11 |
8667 |
470.8 |
-1.5 |
0.383 |
7 |
3 |
0 |
0.263 |
40 |
|
L |
45 |
14 |
8667 |
◊ |
I |
x,y,z |
1_555 |
48 |
10 |
8735 |
469.0 |
-1.5 |
0.384 |
7 |
3 |
0 |
0.263 |
41 |
|
D |
47 |
10 |
8655 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
8701 |
468.4 |
-1.3 |
0.405 |
7 |
4 |
0 |
0.263 |
42 |
|
U |
45 |
14 |
8651 |
◊ |
J |
x,y,z |
1_555 |
49 |
11 |
8669 |
468.0 |
-1.4 |
0.408 |
8 |
4 |
0 |
0.263 |
43 |
|
X |
46 |
10 |
8658 |
◊ |
O |
x,y,z |
1_555 |
44 |
14 |
8685 |
467.6 |
-1.2 |
0.407 |
7 |
3 |
0 |
0.263 |
44 |
|
U |
46 |
10 |
8651 |
◊ |
I |
x,y,z |
1_555 |
42 |
14 |
8735 |
467.4 |
-1.5 |
0.364 |
7 |
3 |
0 |
0.263 |
45 |
|
T |
47 |
10 |
8684 |
◊ |
R |
x,y,z |
1_555 |
44 |
14 |
8668 |
466.9 |
-1.3 |
0.418 |
8 |
3 |
0 |
0.263 |
46 |
|
K |
47 |
14 |
8667 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
8659 |
466.5 |
-1.3 |
0.419 |
8 |
4 |
0 |
0.263 |
47 |
|
M |
44 |
14 |
8656 |
◊ |
B |
x,y,z |
1_555 |
47 |
10 |
8701 |
465.2 |
-1.3 |
0.411 |
7 |
3 |
0 |
0.263 |
48 |
|
D |
43 |
14 |
8655 |
◊ |
A |
x,y,z |
1_555 |
49 |
11 |
8819 |
465.1 |
-1.3 |
0.410 |
7 |
4 |
0 |
0.263 |
49 |
|
P |
47 |
10 |
8671 |
◊ |
G |
x,y,z |
1_555 |
44 |
14 |
8668 |
463.2 |
-1.5 |
0.388 |
7 |
3 |
0 |
0.263 |
50 |
|
O |
46 |
10 |
8685 |
◊ |
N |
x,y,z |
1_555 |
43 |
14 |
8673 |
463.2 |
-1.5 |
0.374 |
7 |
3 |
0 |
0.263 |
51 |
|
V |
47 |
10 |
8687 |
◊ |
C |
x,y,z |
1_555 |
43 |
14 |
8668 |
463.1 |
-1.4 |
0.397 |
7 |
3 |
0 |
0.263 |
52 |
|
Q |
44 |
14 |
8649 |
◊ |
E |
x,y,z |
1_555 |
47 |
11 |
8662 |
462.5 |
-1.3 |
0.415 |
7 |
4 |
0 |
0.263 |
53 |
|
W |
46 |
10 |
8659 |
◊ |
V |
x,y,z |
1_555 |
45 |
14 |
8687 |
462.4 |
-1.3 |
0.413 |
7 |
3 |
0 |
0.263 |
54 |
|
X |
45 |
14 |
8658 |
◊ |
S |
x,y,z |
1_555 |
47 |
11 |
8664 |
461.9 |
-1.3 |
0.411 |
7 |
3 |
0 |
0.263 |
55 |
|
M |
47 |
10 |
8656 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
8819 |
458.7 |
-1.4 |
0.396 |
7 |
4 |
0 |
0.263 |
56 |
|
H |
44 |
14 |
8649 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
8668 |
458.4 |
-1.4 |
0.430 |
7 |
4 |
0 |
0.263 |
57 |
|
G |
45 |
10 |
8668 |
◊ |
F |
x,y,z |
1_555 |
42 |
14 |
8659 |
457.2 |
-1.4 |
0.383 |
7 |
4 |
0 |
0.263 |
58 |
|
S |
41 |
14 |
8664 |
◊ |
N |
x,y,z |
1_555 |
46 |
10 |
8673 |
457.1 |
-1.3 |
0.395 |
7 |
3 |
0 |
0.263 |
59 |
|
R |
45 |
10 |
8668 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
8662 |
456.6 |
-1.4 |
0.372 |
7 |
3 |
0 |
0.263 |
60 |
|
L |
48 |
10 |
8667 |
◊ |
J |
x,y,z |
1_555 |
43 |
14 |
8669 |
456.4 |
-1.6 |
0.373 |
7 |
3 |
0 |
0.263 |
| Average: |
464.4 |
-1.4 |
0.398 |
7 |
3 |
0 |
0.263 |
| 4 |
61 |
|
M |
41 |
12 |
8656 |
◊ |
N |
x,y,z-1 |
1_554 |
41 |
12 |
8673 |
408.6 |
2.9 |
0.831 |
6 |
2 |
0 |
0.000 |
62 |
|
G |
37 |
11 |
8668 |
◊ |
G |
-x+1,y,-z |
2_655 |
37 |
11 |
8668 |
385.7 |
2.7 |
0.830 |
2 |
0 |
0 |
0.000 |
63 |
|
V |
38 |
11 |
8687 |
◊ |
L |
-x+1/2,y-1/2,-z |
4_545 |
37 |
11 |
8667 |
381.3 |
2.7 |
0.829 |
2 |
2 |
0 |
0.000 |
64 |
|
R |
37 |
11 |
8668 |
◊ |
R |
-x,y,-z |
2_555 |
37 |
11 |
8668 |
380.5 |
2.6 |
0.826 |
2 |
2 |
0 |
0.000 |
| Average: |
389.0 |
2.7 |
0.829 |
3 |
2 |
0 |
0.000 |
| 5 |
65 |
|
B |
35 |
9 |
8701 |
◊ |
S |
x,y,z-1 |
1_554 |
31 |
6 |
8664 |
312.7 |
1.1 |
0.678 |
4 |
2 |
0 |
0.000 |
66 |
|
P |
37 |
9 |
8671 |
◊ |
F |
-x+1,y,-z |
2_655 |
32 |
6 |
8659 |
311.2 |
1.0 |
0.671 |
4 |
2 |
0 |
0.000 |
67 |
|
T |
36 |
9 |
8684 |
◊ |
E |
-x,y,-z |
2_555 |
31 |
6 |
8662 |
310.5 |
1.0 |
0.670 |
4 |
2 |
0 |
0.000 |
68 |
|
C |
32 |
6 |
8668 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
35 |
9 |
8735 |
310.5 |
1.1 |
0.678 |
4 |
2 |
0 |
0.000 |
69 |
|
W |
36 |
9 |
8659 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
31 |
6 |
8669 |
310.0 |
1.1 |
0.680 |
4 |
2 |
0 |
0.000 |
70 |
|
A |
32 |
6 |
8819 |
◊ |
O |
x,y,z-1 |
1_554 |
35 |
9 |
8685 |
304.9 |
1.0 |
0.670 |
4 |
2 |
0 |
0.000 |
| Average: |
310.0 |
1.1 |
0.675 |
4 |
2 |
0 |
0.000 |
| 6 |
71 |
|
H |
19 |
6 |
8649 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
18 |
6 |
8669 |
146.4 |
0.2 |
0.626 |
3 |
0 |
0 |
0.000 |
72 |
|
Q |
18 |
6 |
8649 |
◊ |
E |
-x,y,-z |
2_555 |
18 |
6 |
8662 |
143.6 |
0.1 |
0.615 |
3 |
0 |
0 |
0.000 |
73 |
|
K |
18 |
6 |
8667 |
◊ |
F |
-x+1,y,-z |
2_655 |
18 |
6 |
8659 |
143.0 |
0.1 |
0.612 |
3 |
0 |
0 |
0.000 |
74 |
|
A |
16 |
6 |
8819 |
◊ |
X |
x,y,z-1 |
1_554 |
17 |
6 |
8658 |
127.1 |
0.2 |
0.610 |
2 |
0 |
0 |
0.000 |
75 |
|
C |
15 |
5 |
8668 |
◊ |
U |
-x+1/2,y-1/2,-z |
4_545 |
14 |
6 |
8651 |
124.7 |
-0.0 |
0.596 |
2 |
0 |
0 |
0.000 |
76 |
|
D |
16 |
6 |
8655 |
◊ |
S |
x,y,z-1 |
1_554 |
16 |
6 |
8664 |
121.5 |
0.1 |
0.594 |
1 |
0 |
0 |
0.000 |
| Average: |
134.4 |
0.1 |
0.609 |
2 |
0 |
0 |
0.000 |
| 7 |
77 |
|
K |
20 |
7 |
8667 |
◊ |
K |
-x+1,y,-z |
2_655 |
20 |
7 |
8667 |
139.5 |
1.9 |
0.808 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
20 |
7 |
8649 |
◊ |
U |
-x+1/2,y-1/2,-z |
4_545 |
20 |
7 |
8651 |
139.3 |
1.8 |
0.808 |
0 |
0 |
0 |
0.000 |
79 |
|
Q |
20 |
7 |
8649 |
◊ |
Q |
-x,y,-z |
2_555 |
20 |
7 |
8649 |
135.4 |
1.8 |
0.801 |
0 |
0 |
0 |
0.000 |
80 |
|
D |
14 |
5 |
8655 |
◊ |
X |
x,y,z-1 |
1_554 |
14 |
5 |
8658 |
78.1 |
1.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
123.1 |
1.7 |
0.794 |
0 |
0 |
0 |
0.000 |
| 8 |
81 |
|
V |
3 |
1 |
8687 |
◊ |
Q |
-x,y,-z |
2_555 |
6 |
3 |
8649 |
51.9 |
2.0 |
0.913 |
3 |
4 |
0 |
0.000 |
82 |
|
L |
3 |
1 |
8667 |
◊ |
K |
-x+1,y,-z |
2_655 |
6 |
3 |
8667 |
51.0 |
1.9 |
0.913 |
3 |
4 |
0 |
0.000 |
83 |
|
G |
3 |
1 |
8668 |
◊ |
U |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
8651 |
50.6 |
1.9 |
0.911 |
3 |
4 |
0 |
0.000 |
84 |
|
H |
6 |
3 |
8649 |
◊ |
R |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
8668 |
50.2 |
1.9 |
0.914 |
3 |
3 |
0 |
0.000 |
85 |
|
D |
6 |
3 |
8655 |
◊ |
W |
x,y,z-1 |
1_554 |
2 |
1 |
8659 |
40.3 |
1.4 |
0.889 |
1 |
2 |
0 |
0.000 |
86 |
|
C |
2 |
1 |
8668 |
◊ |
X |
x,y,z-1 |
1_554 |
6 |
3 |
8658 |
39.2 |
1.4 |
0.893 |
1 |
2 |
0 |
0.000 |
| Average: |
47.2 |
1.8 |
0.906 |
2 |
3 |
0 |
0.000 |
| 9 |
87 |
|
F |
1 |
1 |
8659 |
◊ |
O |
x,y,z-1 |
1_554 |
1 |
1 |
8685 |
7.4 |
0.5 |
0.893 |
0 |
0 |
0 |
0.000 |
88 |
|
B |
1 |
1 |
8701 |
◊ |
T |
x,y,z-1 |
1_554 |
1 |
1 |
8684 |
7.1 |
0.5 |
0.891 |
0 |
0 |
0 |
0.000 |
89 |
|
D |
1 |
1 |
8655 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
8735 |
4.9 |
0.4 |
0.864 |
0 |
0 |
0 |
0.000 |
90 |
|
T |
1 |
1 |
8684 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
8701 |
4.7 |
0.4 |
0.858 |
0 |
0 |
0 |
0.000 |
91 |
|
P |
1 |
1 |
8671 |
◊ |
A |
-x+1,y,-z |
2_655 |
1 |
1 |
8819 |
4.7 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
92 |
|
W |
1 |
1 |
8659 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
8656 |
4.4 |
0.3 |
0.850 |
0 |
0 |
0 |
0.000 |
| Average: |
5.5 |
0.4 |
0.870 |
0 |
0 |
0 |
0.000 |
|