| ## |
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 |
|
U |
96 |
26 |
10910 |
◊ |
O |
x,y,z |
1_555 |
89 |
26 |
10985 |
865.1 |
-2.7 |
0.440 |
10 |
2 |
0 |
0.305 |
2 |
|
P |
83 |
23 |
10958 |
◊ |
O |
x,y,z |
1_555 |
100 |
29 |
10985 |
836.1 |
-4.3 |
0.321 |
5 |
3 |
0 |
0.305 |
3 |
|
G |
94 |
27 |
10978 |
◊ |
A |
x,y,z |
1_555 |
83 |
23 |
10916 |
833.4 |
-4.7 |
0.341 |
11 |
3 |
0 |
0.305 |
4 |
|
E |
83 |
22 |
10794 |
◊ |
D |
x,y,z |
1_555 |
92 |
28 |
10567 |
833.4 |
-6.1 |
0.246 |
10 |
3 |
0 |
0.305 |
5 |
|
D |
84 |
23 |
10567 |
◊ |
C |
x,y,z |
1_555 |
90 |
26 |
10956 |
830.9 |
-2.8 |
0.457 |
10 |
4 |
0 |
0.305 |
6 |
|
B |
89 |
23 |
10707 |
◊ |
A |
x,y,z |
1_555 |
89 |
25 |
10916 |
824.9 |
-3.4 |
0.410 |
9 |
2 |
0 |
0.305 |
7 |
|
U |
85 |
21 |
10910 |
◊ |
T |
x,y,z |
1_555 |
96 |
28 |
10884 |
824.6 |
-3.9 |
0.403 |
8 |
3 |
0 |
0.305 |
8 |
|
R |
80 |
22 |
10790 |
◊ |
Q |
x,y,z |
1_555 |
86 |
26 |
10808 |
818.1 |
-4.0 |
0.334 |
11 |
3 |
0 |
0.305 |
9 |
|
S |
75 |
21 |
10903 |
◊ |
R |
x,y,z |
1_555 |
87 |
26 |
10790 |
781.2 |
-6.2 |
0.196 |
14 |
10 |
0 |
0.305 |
10 |
|
T |
82 |
21 |
10884 |
◊ |
S |
x,y,z |
1_555 |
80 |
24 |
10903 |
780.5 |
-5.8 |
0.252 |
10 |
2 |
0 |
0.305 |
11 |
|
G |
80 |
23 |
10978 |
◊ |
F |
x,y,z |
1_555 |
85 |
25 |
10488 |
774.4 |
-3.7 |
0.382 |
10 |
4 |
0 |
0.305 |
12 |
|
F |
82 |
23 |
10488 |
◊ |
E |
x,y,z |
1_555 |
85 |
25 |
10794 |
768.8 |
-5.4 |
0.281 |
11 |
4 |
0 |
0.305 |
13 |
|
Q |
81 |
22 |
10808 |
◊ |
P |
x,y,z |
1_555 |
88 |
26 |
10958 |
768.5 |
-4.7 |
0.264 |
9 |
4 |
0 |
0.305 |
14 |
|
C |
79 |
22 |
10956 |
◊ |
B |
x,y,z |
1_555 |
75 |
22 |
10707 |
749.3 |
-6.2 |
0.234 |
10 |
4 |
0 |
0.305 |
| Average: |
806.4 |
-4.6 |
0.326 |
10 |
4 |
0 |
0.305 |
| 2 |
15 |
|
V |
74 |
22 |
10978 |
◊ |
K |
x,y,z |
1_555 |
69 |
22 |
10781 |
741.8 |
-1.8 |
0.657 |
15 |
14 |
0 |
0.176 |
16 |
|
Y |
71 |
22 |
11125 |
◊ |
H |
x,y,z |
1_555 |
73 |
22 |
10997 |
732.5 |
-2.0 |
0.625 |
15 |
14 |
0 |
0.176 |
17 |
|
Z |
67 |
22 |
11051 |
◊ |
N |
x,y,z |
1_555 |
73 |
22 |
11068 |
724.4 |
-2.7 |
0.577 |
16 |
13 |
0 |
0.176 |
18 |
|
W |
72 |
22 |
11047 |
◊ |
J |
x,y,z |
1_555 |
67 |
22 |
10993 |
724.0 |
-2.7 |
0.584 |
14 |
9 |
0 |
0.176 |
19 |
|
X |
73 |
22 |
11000 |
◊ |
I |
x,y,z |
1_555 |
73 |
22 |
11111 |
723.6 |
-2.8 |
0.593 |
14 |
13 |
0 |
0.176 |
20 |
|
L |
70 |
22 |
11268 |
◊ |
b |
x,y,z |
1_555 |
69 |
23 |
11074 |
723.4 |
-2.5 |
0.605 |
17 |
11 |
0 |
0.176 |
21 |
|
M |
65 |
22 |
11045 |
◊ |
a |
x,y,z |
1_555 |
71 |
22 |
11112 |
723.0 |
-2.2 |
0.614 |
15 |
12 |
0 |
0.176 |
| Average: |
727.5 |
-2.4 |
0.608 |
15 |
12 |
0 |
0.176 |
| 3 |
22 |
|
V |
58 |
14 |
10978 |
◊ |
O |
x,y,z |
1_555 |
71 |
18 |
10985 |
642.5 |
3.5 |
0.852 |
15 |
14 |
0 |
0.125 |
23 |
|
Y |
58 |
12 |
11125 |
◊ |
R |
x,y,z |
1_555 |
73 |
19 |
10790 |
640.7 |
5.1 |
0.913 |
12 |
18 |
0 |
0.125 |
24 |
|
X |
60 |
12 |
11000 |
◊ |
Q |
x,y,z |
1_555 |
69 |
19 |
10808 |
625.1 |
5.1 |
0.905 |
11 |
12 |
0 |
0.125 |
25 |
|
J |
60 |
13 |
10993 |
◊ |
C |
x,y,z |
1_555 |
66 |
18 |
10956 |
619.8 |
4.7 |
0.893 |
13 |
14 |
0 |
0.125 |
26 |
|
M |
56 |
12 |
11045 |
◊ |
F |
x,y,z |
1_555 |
70 |
19 |
10488 |
618.7 |
2.5 |
0.813 |
14 |
16 |
0 |
0.125 |
27 |
|
H |
56 |
13 |
10997 |
◊ |
A |
x,y,z |
1_555 |
70 |
18 |
10916 |
618.1 |
3.3 |
0.851 |
15 |
15 |
0 |
0.125 |
28 |
|
Z |
60 |
12 |
11051 |
◊ |
S |
x,y,z |
1_555 |
68 |
19 |
10903 |
614.9 |
4.6 |
0.888 |
14 |
16 |
0 |
0.125 |
29 |
|
W |
61 |
13 |
11047 |
◊ |
P |
x,y,z |
1_555 |
70 |
19 |
10958 |
613.8 |
3.3 |
0.838 |
11 |
12 |
0 |
0.125 |
30 |
|
L |
57 |
13 |
11268 |
◊ |
E |
x,y,z |
1_555 |
69 |
19 |
10794 |
611.4 |
3.0 |
0.829 |
14 |
15 |
0 |
0.125 |
31 |
|
N |
56 |
12 |
11068 |
◊ |
G |
x,y,z |
1_555 |
66 |
19 |
10978 |
604.0 |
5.0 |
0.889 |
13 |
12 |
0 |
0.125 |
32 |
|
b |
57 |
12 |
11074 |
◊ |
U |
x,y,z |
1_555 |
65 |
18 |
10910 |
603.2 |
4.9 |
0.898 |
12 |
16 |
0 |
0.125 |
33 |
|
I |
58 |
12 |
11111 |
◊ |
B |
x,y,z |
1_555 |
71 |
20 |
10707 |
593.9 |
4.1 |
0.866 |
13 |
12 |
0 |
0.125 |
34 |
|
K |
58 |
12 |
10781 |
◊ |
D |
x,y,z |
1_555 |
69 |
19 |
10567 |
588.0 |
4.0 |
0.870 |
12 |
13 |
0 |
0.125 |
35 |
|
a |
57 |
12 |
11112 |
◊ |
T |
x,y,z |
1_555 |
61 |
19 |
10884 |
577.7 |
3.5 |
0.866 |
14 |
14 |
0 |
0.125 |
| Average: |
612.3 |
4.1 |
0.869 |
13 |
14 |
0 |
0.125 |
| 4 |
36 |
|
L |
75 |
18 |
11268 |
◊ |
K |
x,y,z |
1_555 |
69 |
30 |
10781 |
611.3 |
-1.3 |
0.592 |
5 |
5 |
0 |
0.091 |
37 |
|
W |
65 |
21 |
11047 |
◊ |
V |
x,y,z |
1_555 |
77 |
22 |
10978 |
582.8 |
-1.8 |
0.636 |
1 |
3 |
0 |
0.091 |
38 |
|
Y |
63 |
20 |
11125 |
◊ |
X |
x,y,z |
1_555 |
82 |
23 |
11000 |
570.9 |
-0.9 |
0.715 |
3 |
4 |
0 |
0.091 |
39 |
|
I |
64 |
20 |
11111 |
◊ |
H |
x,y,z |
1_555 |
75 |
22 |
10997 |
562.6 |
-2.2 |
0.601 |
2 |
3 |
0 |
0.091 |
40 |
|
N |
62 |
19 |
11068 |
◊ |
M |
x,y,z |
1_555 |
76 |
23 |
11045 |
559.7 |
-0.6 |
0.674 |
2 |
3 |
0 |
0.091 |
41 |
|
b |
62 |
21 |
11074 |
◊ |
a |
x,y,z |
1_555 |
76 |
22 |
11112 |
557.2 |
-0.2 |
0.735 |
4 |
5 |
0 |
0.091 |
42 |
|
N |
71 |
22 |
11068 |
◊ |
H |
x,y,z |
1_555 |
62 |
20 |
10997 |
556.4 |
-0.4 |
0.702 |
2 |
2 |
0 |
0.091 |
43 |
|
X |
59 |
19 |
11000 |
◊ |
W |
x,y,z |
1_555 |
73 |
22 |
11047 |
549.0 |
-1.2 |
0.666 |
2 |
3 |
0 |
0.091 |
44 |
|
M |
61 |
20 |
11045 |
◊ |
L |
x,y,z |
1_555 |
67 |
22 |
11268 |
539.4 |
-1.0 |
0.662 |
3 |
4 |
0 |
0.091 |
45 |
|
J |
56 |
20 |
10993 |
◊ |
I |
x,y,z |
1_555 |
65 |
20 |
11111 |
516.2 |
-1.4 |
0.623 |
2 |
4 |
0 |
0.091 |
46 |
|
V |
58 |
19 |
10978 |
◊ |
b |
x,y,z |
1_555 |
73 |
23 |
11074 |
516.1 |
-0.9 |
0.666 |
2 |
3 |
0 |
0.091 |
47 |
|
Z |
64 |
20 |
11051 |
◊ |
a |
x,y,z |
1_555 |
61 |
20 |
11112 |
513.7 |
-1.4 |
0.665 |
2 |
4 |
0 |
0.091 |
48 |
|
Z |
57 |
19 |
11051 |
◊ |
Y |
x,y,z |
1_555 |
66 |
20 |
11125 |
493.9 |
-2.0 |
0.589 |
2 |
4 |
0 |
0.091 |
49 |
|
K |
55 |
19 |
10781 |
◊ |
J |
x,y,z |
1_555 |
64 |
20 |
10993 |
478.2 |
-1.5 |
0.622 |
2 |
4 |
0 |
0.091 |
| Average: |
543.4 |
-1.2 |
0.653 |
2 |
4 |
0 |
0.091 |
| 5 |
50 |
|
Y |
50 |
13 |
11125 |
◊ |
I |
x,y,z |
1_555 |
43 |
12 |
11111 |
474.7 |
-2.3 |
0.507 |
8 |
12 |
0 |
0.125 |
51 |
|
W |
46 |
12 |
11047 |
◊ |
K |
x,y,z |
1_555 |
47 |
12 |
10781 |
464.2 |
-2.7 |
0.481 |
6 |
10 |
0 |
0.125 |
52 |
|
Z |
46 |
12 |
11051 |
◊ |
H |
x,y,z |
1_555 |
46 |
12 |
10997 |
463.7 |
-3.5 |
0.409 |
7 |
11 |
0 |
0.125 |
53 |
|
X |
44 |
12 |
11000 |
◊ |
J |
x,y,z |
1_555 |
47 |
12 |
10993 |
463.6 |
-3.8 |
0.393 |
6 |
11 |
0 |
0.125 |
54 |
|
M |
47 |
12 |
11045 |
◊ |
b |
x,y,z |
1_555 |
46 |
12 |
11074 |
459.0 |
-2.7 |
0.484 |
6 |
12 |
0 |
0.125 |
55 |
|
N |
47 |
13 |
11068 |
◊ |
a |
x,y,z |
1_555 |
42 |
12 |
11112 |
458.0 |
-3.3 |
0.410 |
7 |
11 |
0 |
0.125 |
56 |
|
V |
45 |
12 |
10978 |
◊ |
L |
x,y,z |
1_555 |
43 |
12 |
11268 |
455.5 |
-3.8 |
0.390 |
6 |
12 |
0 |
0.125 |
| Average: |
462.7 |
-3.2 |
0.439 |
7 |
11 |
0 |
0.125 |
| 6 |
57 |
|
H |
47 |
14 |
10997 |
◊ |
G |
x,y,z |
1_555 |
41 |
9 |
10978 |
396.6 |
-0.6 |
0.575 |
10 |
0 |
0 |
0.177 |
58 |
|
Z |
43 |
14 |
11051 |
◊ |
R |
x,y,z |
1_555 |
44 |
12 |
10790 |
396.5 |
-1.8 |
0.495 |
10 |
3 |
0 |
0.177 |
59 |
|
X |
41 |
13 |
11000 |
◊ |
P |
x,y,z |
1_555 |
45 |
11 |
10958 |
394.6 |
-0.6 |
0.580 |
11 |
1 |
0 |
0.177 |
60 |
|
J |
43 |
14 |
10993 |
◊ |
B |
x,y,z |
1_555 |
47 |
10 |
10707 |
390.7 |
-1.0 |
0.572 |
12 |
2 |
0 |
0.177 |
61 |
|
L |
40 |
13 |
11268 |
◊ |
D |
x,y,z |
1_555 |
43 |
10 |
10567 |
390.5 |
-1.5 |
0.507 |
7 |
2 |
0 |
0.177 |
62 |
|
M |
38 |
13 |
11045 |
◊ |
E |
x,y,z |
1_555 |
41 |
11 |
10794 |
390.1 |
-0.8 |
0.559 |
12 |
3 |
0 |
0.177 |
63 |
|
Y |
42 |
13 |
11125 |
◊ |
Q |
x,y,z |
1_555 |
41 |
11 |
10808 |
386.2 |
-0.4 |
0.585 |
9 |
0 |
0 |
0.177 |
64 |
|
W |
43 |
14 |
11047 |
◊ |
O |
x,y,z |
1_555 |
43 |
11 |
10985 |
385.9 |
-1.4 |
0.510 |
8 |
2 |
0 |
0.177 |
65 |
|
I |
40 |
13 |
11111 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
10916 |
384.1 |
-1.7 |
0.498 |
7 |
1 |
0 |
0.177 |
66 |
|
V |
40 |
15 |
10978 |
◊ |
U |
x,y,z |
1_555 |
44 |
10 |
10910 |
383.0 |
-0.5 |
0.603 |
11 |
1 |
0 |
0.177 |
67 |
|
b |
38 |
13 |
11074 |
◊ |
T |
x,y,z |
1_555 |
43 |
10 |
10884 |
382.3 |
-0.6 |
0.579 |
10 |
2 |
0 |
0.177 |
68 |
|
a |
38 |
13 |
11112 |
◊ |
S |
x,y,z |
1_555 |
44 |
10 |
10903 |
380.3 |
-1.0 |
0.550 |
9 |
1 |
0 |
0.177 |
69 |
|
K |
38 |
14 |
10781 |
◊ |
C |
x,y,z |
1_555 |
42 |
11 |
10956 |
378.3 |
-1.1 |
0.560 |
9 |
0 |
0 |
0.177 |
70 |
|
N |
39 |
13 |
11068 |
◊ |
F |
x,y,z |
1_555 |
39 |
10 |
10488 |
377.6 |
-0.9 |
0.554 |
10 |
1 |
0 |
0.177 |
| Average: |
386.9 |
-1.0 |
0.552 |
10 |
1 |
0 |
0.177 |
| 7 |
71 |
|
S |
35 |
14 |
10903 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
37 |
10 |
10978 |
314.3 |
-0.5 |
0.522 |
0 |
3 |
0 |
0.000 |
| 8 |
72 |
|
P |
32 |
7 |
10958 |
◊ |
K |
-x+3,y-1/2,-z+3 |
2_848 |
27 |
11 |
10781 |
274.7 |
0.3 |
0.481 |
1 |
0 |
0 |
0.000 |
| 9 |
73 |
|
N |
35 |
9 |
11068 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
30 |
6 |
10956 |
273.7 |
3.8 |
0.905 |
7 |
5 |
0 |
0.000 |
| 10 |
74 |
|
I |
27 |
9 |
11111 |
◊ |
V |
x-1,y,z |
1_455 |
26 |
9 |
10978 |
252.9 |
-2.1 |
0.427 |
1 |
0 |
0 |
0.000 |
| 11 |
75 |
|
S |
25 |
8 |
10903 |
◊ |
W |
-x+3,y-1/2,-z+3 |
2_848 |
33 |
10 |
11047 |
246.3 |
0.6 |
0.632 |
1 |
3 |
0 |
0.000 |
| 12 |
76 |
|
Y |
32 |
7 |
11125 |
◊ |
U |
x-1,y,z |
1_455 |
25 |
7 |
10910 |
242.1 |
-0.7 |
0.563 |
5 |
3 |
0 |
0.000 |
77 |
|
A |
23 |
8 |
10916 |
◊ |
L |
x-1,y,z |
1_455 |
34 |
9 |
11268 |
233.9 |
-0.5 |
0.606 |
4 |
4 |
0 |
0.000 |
| Average: |
238.0 |
-0.6 |
0.585 |
5 |
4 |
0 |
0.000 |
| 13 |
78 |
|
N |
25 |
9 |
11068 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
16 |
5 |
10707 |
203.5 |
2.0 |
0.829 |
0 |
0 |
0 |
0.000 |
| 14 |
79 |
|
Q |
20 |
6 |
10808 |
◊ |
K |
-x+3,y-1/2,-z+3 |
2_848 |
24 |
8 |
10781 |
171.2 |
2.3 |
0.819 |
3 |
3 |
0 |
0.000 |
| 15 |
80 |
|
Z |
20 |
6 |
11051 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
18 |
5 |
10488 |
166.5 |
1.6 |
0.750 |
3 |
1 |
0 |
0.000 |
| 16 |
81 |
|
R |
10 |
2 |
10790 |
◊ |
W |
-x+3,y-1/2,-z+3 |
2_848 |
18 |
6 |
11047 |
123.0 |
1.0 |
0.769 |
3 |
3 |
0 |
0.000 |
| 17 |
82 |
|
Z |
13 |
4 |
11051 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
2 |
10567 |
109.7 |
0.2 |
0.660 |
2 |
0 |
0 |
0.000 |
| 18 |
83 |
|
Z |
14 |
5 |
11051 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
5 |
10794 |
109.0 |
0.1 |
0.636 |
1 |
0 |
0 |
0.000 |
| 19 |
84 |
|
a |
12 |
4 |
11112 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
14 |
5 |
10916 |
108.0 |
0.9 |
0.652 |
0 |
0 |
0 |
0.000 |
| 20 |
85 |
|
b |
16 |
4 |
11074 |
◊ |
E |
-x+3,y-1/2,-z+2 |
2_847 |
10 |
4 |
10794 |
106.6 |
0.7 |
0.590 |
1 |
1 |
0 |
0.000 |
| 21 |
86 |
|
Y |
12 |
5 |
11125 |
◊ |
O |
x-1,y,z |
1_455 |
12 |
3 |
10985 |
104.6 |
-0.6 |
0.479 |
1 |
0 |
0 |
0.000 |
87 |
|
B |
8 |
3 |
10707 |
◊ |
L |
x-1,y,z |
1_455 |
8 |
4 |
11268 |
53.2 |
-1.1 |
0.334 |
0 |
0 |
0 |
0.000 |
| Average: |
78.9 |
-0.9 |
0.407 |
1 |
0 |
0 |
0.000 |
| 22 |
88 |
|
T |
5 |
3 |
10884 |
◊ |
E |
-x+3,y-1/2,-z+2 |
2_847 |
6 |
3 |
10794 |
57.8 |
-0.8 |
0.334 |
0 |
0 |
0 |
0.000 |
| 23 |
89 |
|
P |
10 |
3 |
10958 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
5 |
2 |
10567 |
54.8 |
-1.1 |
0.236 |
0 |
0 |
0 |
0.000 |
| 24 |
90 |
|
Y |
3 |
1 |
11125 |
◊ |
V |
x-1,y,z |
1_455 |
4 |
1 |
10978 |
39.4 |
-0.6 |
0.312 |
0 |
0 |
0 |
0.000 |
91 |
|
I |
2 |
1 |
11111 |
◊ |
L |
x-1,y,z |
1_455 |
3 |
1 |
11268 |
26.7 |
-0.6 |
0.261 |
0 |
0 |
0 |
0.000 |
| Average: |
33.0 |
-0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
| 25 |
92 |
|
T |
6 |
3 |
10884 |
◊ |
W |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
3 |
11047 |
32.9 |
0.4 |
0.725 |
0 |
0 |
0 |
0.000 |
| 26 |
93 |
|
U |
4 |
2 |
10910 |
◊ |
J |
-x+3,y-1/2,-z+3 |
2_848 |
8 |
3 |
10993 |
27.1 |
0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
| 27 |
94 |
|
N |
4 |
2 |
11068 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
2 |
10916 |
22.9 |
0.3 |
0.738 |
1 |
0 |
0 |
0.000 |
| 28 |
95 |
|
O |
3 |
2 |
10985 |
◊ |
K |
-x+3,y-1/2,-z+3 |
2_848 |
5 |
2 |
10781 |
21.4 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
| 29 |
96 |
|
R |
1 |
1 |
10790 |
◊ |
K |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
10781 |
3.3 |
0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
| 30 |
97 |
|
Z |
1 |
1 |
11051 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
10978 |
2.1 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
| 31 |
98 |
|
T |
1 |
1 |
10884 |
◊ |
J |
-x+3,y-1/2,-z+3 |
2_848 |
2 |
1 |
10993 |
1.3 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
|