## |
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 |
|
E |
152 |
42 |
11704 |
◊ |
D |
x,y,z |
1_555 |
131 |
35 |
11884 |
1319.1 |
-17.4 |
0.021 |
11 |
4 |
0 |
0.807 |
2 |
|
D |
146 |
42 |
11884 |
◊ |
C |
x,y,z |
1_555 |
129 |
35 |
11964 |
1311.2 |
-18.4 |
0.021 |
10 |
4 |
0 |
0.807 |
3 |
|
J |
132 |
35 |
11844 |
◊ |
F |
x,y,z |
1_555 |
150 |
42 |
11681 |
1309.8 |
-18.7 |
0.021 |
11 |
4 |
0 |
0.807 |
4 |
|
R |
147 |
41 |
11833 |
◊ |
Q |
x,y,z |
1_555 |
128 |
35 |
11708 |
1309.8 |
-18.6 |
0.022 |
10 |
4 |
0 |
0.807 |
5 |
|
T |
132 |
35 |
11695 |
◊ |
P |
x,y,z |
1_555 |
148 |
41 |
11703 |
1308.2 |
-18.5 |
0.028 |
10 |
4 |
0 |
0.807 |
6 |
|
Q |
146 |
42 |
11708 |
◊ |
P |
x,y,z |
1_555 |
132 |
35 |
11703 |
1306.9 |
-18.4 |
0.027 |
11 |
4 |
0 |
0.807 |
7 |
|
E |
133 |
35 |
11704 |
◊ |
A |
x,y,z |
1_555 |
146 |
42 |
11624 |
1305.5 |
-17.1 |
0.026 |
11 |
4 |
0 |
0.807 |
8 |
|
I |
147 |
42 |
11823 |
◊ |
H |
x,y,z |
1_555 |
133 |
35 |
11646 |
1298.7 |
-18.7 |
0.025 |
11 |
4 |
0 |
0.807 |
9 |
|
B |
148 |
42 |
11710 |
◊ |
A |
x,y,z |
1_555 |
132 |
35 |
11624 |
1298.6 |
-17.1 |
0.033 |
10 |
4 |
0 |
0.807 |
10 |
|
N |
151 |
41 |
11642 |
◊ |
M |
x,y,z |
1_555 |
128 |
35 |
11688 |
1297.4 |
-17.8 |
0.031 |
10 |
4 |
0 |
0.807 |
11 |
|
M |
146 |
41 |
11688 |
◊ |
L |
x,y,z |
1_555 |
129 |
35 |
11802 |
1296.7 |
-16.7 |
0.035 |
10 |
4 |
0 |
0.807 |
12 |
|
C |
144 |
42 |
11964 |
◊ |
B |
x,y,z |
1_555 |
132 |
34 |
11710 |
1294.5 |
-17.4 |
0.027 |
11 |
4 |
0 |
0.807 |
13 |
|
T |
147 |
42 |
11695 |
◊ |
S |
x,y,z |
1_555 |
126 |
35 |
11696 |
1293.3 |
-17.9 |
0.029 |
11 |
4 |
0 |
0.807 |
14 |
|
O |
127 |
34 |
11618 |
◊ |
K |
x,y,z |
1_555 |
146 |
41 |
11672 |
1292.5 |
-18.3 |
0.024 |
11 |
4 |
0 |
0.807 |
15 |
|
H |
149 |
42 |
11646 |
◊ |
G |
x,y,z |
1_555 |
126 |
34 |
11653 |
1289.0 |
-18.5 |
0.025 |
10 |
4 |
0 |
0.807 |
16 |
|
L |
145 |
41 |
11802 |
◊ |
K |
x,y,z |
1_555 |
130 |
34 |
11672 |
1288.5 |
-18.3 |
0.025 |
11 |
4 |
0 |
0.807 |
17 |
|
J |
147 |
42 |
11844 |
◊ |
I |
x,y,z |
1_555 |
129 |
34 |
11823 |
1285.5 |
-17.9 |
0.027 |
11 |
4 |
0 |
0.807 |
18 |
|
O |
145 |
41 |
11618 |
◊ |
N |
x,y,z |
1_555 |
130 |
35 |
11642 |
1285.2 |
-16.7 |
0.036 |
10 |
4 |
0 |
0.807 |
19 |
|
G |
145 |
41 |
11653 |
◊ |
F |
x,y,z |
1_555 |
132 |
34 |
11681 |
1283.1 |
-18.1 |
0.027 |
10 |
4 |
0 |
0.807 |
20 |
|
S |
143 |
41 |
11696 |
◊ |
R |
x,y,z |
1_555 |
129 |
35 |
11833 |
1263.7 |
-17.7 |
0.029 |
10 |
3 |
0 |
0.807 |
Average: |
1296.9 |
-17.9 |
0.027 |
11 |
4 |
0 |
0.807 |
2 |
21 |
|
T |
88 |
24 |
11695 |
◊ |
F |
x,y,z |
1_555 |
89 |
23 |
11681 |
836.0 |
-3.4 |
0.542 |
8 |
6 |
0 |
0.115 |
22 |
|
S |
89 |
26 |
11696 |
◊ |
G |
x,y,z |
1_555 |
88 |
24 |
11653 |
820.1 |
-4.0 |
0.523 |
8 |
5 |
0 |
0.115 |
23 |
|
L |
91 |
24 |
11802 |
◊ |
D |
x,y,z |
1_555 |
87 |
23 |
11884 |
814.5 |
-2.7 |
0.572 |
9 |
9 |
0 |
0.115 |
24 |
|
K |
87 |
24 |
11672 |
◊ |
E |
x,y,z |
1_555 |
88 |
24 |
11704 |
803.1 |
-4.0 |
0.472 |
6 |
4 |
0 |
0.115 |
25 |
|
M |
87 |
25 |
11688 |
◊ |
C |
x,y,z |
1_555 |
88 |
24 |
11964 |
798.5 |
-4.0 |
0.492 |
8 |
6 |
0 |
0.115 |
26 |
|
P |
87 |
23 |
11703 |
◊ |
J |
x,y,z |
1_555 |
88 |
24 |
11844 |
796.2 |
-4.6 |
0.450 |
6 |
4 |
0 |
0.115 |
27 |
|
O |
85 |
24 |
11618 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
11624 |
777.3 |
-4.1 |
0.490 |
7 |
6 |
0 |
0.115 |
28 |
|
R |
84 |
23 |
11833 |
◊ |
H |
x,y,z |
1_555 |
87 |
23 |
11646 |
775.1 |
-4.2 |
0.479 |
7 |
5 |
0 |
0.115 |
29 |
|
Q |
86 |
24 |
11708 |
◊ |
I |
x,y,z |
1_555 |
85 |
24 |
11823 |
774.7 |
-4.4 |
0.444 |
6 |
3 |
0 |
0.115 |
30 |
|
N |
82 |
23 |
11642 |
◊ |
B |
x,y,z |
1_555 |
83 |
23 |
11710 |
771.1 |
-3.8 |
0.499 |
7 |
4 |
0 |
0.115 |
Average: |
796.7 |
-3.9 |
0.496 |
7 |
5 |
0 |
0.115 |
3 |
31 |
|
E |
48 |
16 |
11704 |
◊ |
I |
x,y-1,z+1 |
1_546 |
49 |
13 |
11823 |
456.5 |
5.5 |
0.939 |
10 |
10 |
0 |
0.000 |
32 |
|
J |
38 |
14 |
11844 |
◊ |
D |
x,y,z-1 |
1_554 |
45 |
14 |
11884 |
386.1 |
5.3 |
0.933 |
5 |
6 |
0 |
0.000 |
Average: |
421.3 |
5.4 |
0.936 |
8 |
8 |
0 |
0.000 |
4 |
33 |
|
N |
51 |
16 |
11642 |
◊ |
R |
x,y-1,z |
1_545 |
48 |
17 |
11833 |
425.3 |
-0.0 |
0.694 |
4 |
0 |
0 |
0.000 |
5 |
34 |
|
K |
51 |
18 |
11672 |
◊ |
B |
x-1,y,z |
1_455 |
50 |
14 |
11710 |
417.7 |
-0.5 |
0.632 |
3 |
0 |
0 |
0.000 |
35 |
|
G |
48 |
17 |
11653 |
◊ |
P |
x-1,y,z |
1_455 |
47 |
14 |
11703 |
414.7 |
-0.7 |
0.617 |
2 |
0 |
0 |
0.000 |
Average: |
416.2 |
-0.6 |
0.625 |
3 |
0 |
0 |
0.000 |
6 |
36 |
|
O |
27 |
7 |
11618 |
◊ |
R |
x,y-1,z |
1_545 |
35 |
11 |
11833 |
289.0 |
-2.5 |
0.367 |
2 |
2 |
0 |
0.000 |
7 |
37 |
|
S |
34 |
12 |
11696 |
◊ |
M |
x,y,z |
1_555 |
29 |
11 |
11688 |
251.0 |
-1.2 |
0.532 |
3 |
0 |
0 |
0.000 |
8 |
38 |
|
H |
24 |
10 |
11646 |
◊ |
Q |
x-1,y,z |
1_455 |
28 |
10 |
11708 |
209.9 |
-0.0 |
0.634 |
2 |
1 |
0 |
0.000 |
39 |
|
L |
25 |
10 |
11802 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
10 |
11964 |
207.9 |
-0.0 |
0.635 |
2 |
2 |
0 |
0.000 |
Average: |
208.9 |
-0.0 |
0.635 |
2 |
2 |
0 |
0.000 |
9 |
40 |
|
S |
19 |
6 |
11696 |
◊ |
H |
x,y,z |
1_555 |
20 |
6 |
11646 |
206.2 |
-4.3 |
0.089 |
0 |
0 |
0 |
0.061 |
41 |
|
T |
20 |
6 |
11695 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
11653 |
200.0 |
-4.3 |
0.099 |
0 |
0 |
0 |
0.061 |
42 |
|
L |
19 |
6 |
11802 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
11704 |
199.8 |
-4.2 |
0.083 |
0 |
0 |
0 |
0.061 |
43 |
|
M |
20 |
6 |
11688 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
11884 |
199.6 |
-4.3 |
0.090 |
0 |
0 |
0 |
0.061 |
44 |
|
K |
19 |
6 |
11672 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
11624 |
196.4 |
-4.2 |
0.092 |
0 |
0 |
0 |
0.061 |
45 |
|
Q |
19 |
6 |
11708 |
◊ |
J |
x,y,z |
1_555 |
19 |
6 |
11844 |
194.8 |
-4.1 |
0.093 |
0 |
0 |
0 |
0.061 |
46 |
|
N |
19 |
6 |
11642 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
11964 |
191.3 |
-4.2 |
0.095 |
0 |
0 |
0 |
0.061 |
47 |
|
R |
19 |
6 |
11833 |
◊ |
I |
x,y,z |
1_555 |
19 |
6 |
11823 |
188.6 |
-4.1 |
0.094 |
0 |
0 |
0 |
0.061 |
48 |
|
O |
19 |
6 |
11618 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
11710 |
187.3 |
-4.2 |
0.091 |
0 |
0 |
0 |
0.061 |
49 |
|
P |
19 |
6 |
11703 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
11681 |
185.3 |
-3.9 |
0.108 |
0 |
0 |
0 |
0.061 |
Average: |
194.9 |
-4.2 |
0.094 |
0 |
0 |
0 |
0.061 |
10 |
50 |
|
[13P]E:501 |
9 |
1 |
294 |
cf |
E |
x,y,z |
1_555 |
24 |
13 |
11704 |
175.1 |
-1.7 |
0.622 |
9 |
0 |
0 |
0.200 |
51 |
|
[13P]S:501 |
9 |
1 |
294 |
cf |
S |
x,y,z |
1_555 |
24 |
14 |
11696 |
175.0 |
-1.7 |
0.628 |
9 |
0 |
0 |
0.200 |
52 |
|
[13P]K:501 |
9 |
1 |
293 |
cf |
K |
x,y,z |
1_555 |
24 |
13 |
11672 |
174.7 |
-1.6 |
0.644 |
9 |
0 |
0 |
0.200 |
53 |
|
[13P]O:501 |
9 |
1 |
294 |
cf |
O |
x,y,z |
1_555 |
23 |
13 |
11618 |
174.6 |
-1.7 |
0.628 |
9 |
0 |
0 |
0.200 |
54 |
|
[13P]P:501 |
9 |
1 |
294 |
cf |
P |
x,y,z |
1_555 |
23 |
13 |
11703 |
174.5 |
-1.7 |
0.627 |
9 |
0 |
0 |
0.200 |
55 |
|
[13P]M:501 |
9 |
1 |
294 |
cf |
M |
x,y,z |
1_555 |
24 |
13 |
11688 |
174.4 |
-1.7 |
0.610 |
9 |
0 |
0 |
0.200 |
56 |
|
[13P]F:501 |
9 |
1 |
295 |
cf |
F |
x,y,z |
1_555 |
22 |
13 |
11681 |
174.3 |
-1.6 |
0.644 |
9 |
0 |
0 |
0.200 |
57 |
|
[13P]I:501 |
9 |
1 |
293 |
cf |
I |
x,y,z |
1_555 |
24 |
13 |
11823 |
174.3 |
-1.7 |
0.621 |
9 |
0 |
0 |
0.200 |
58 |
|
[13P]R:501 |
9 |
1 |
293 |
cf |
R |
x,y,z |
1_555 |
23 |
13 |
11833 |
174.3 |
-1.7 |
0.626 |
9 |
0 |
0 |
0.200 |
59 |
|
[13P]Q:501 |
9 |
1 |
292 |
cf |
Q |
x,y,z |
1_555 |
24 |
13 |
11708 |
174.3 |
-1.7 |
0.625 |
9 |
0 |
0 |
0.200 |
60 |
|
[13P]C:501 |
9 |
1 |
293 |
cf |
C |
x,y,z |
1_555 |
23 |
13 |
11964 |
174.2 |
-1.7 |
0.625 |
9 |
0 |
0 |
0.200 |
61 |
|
[13P]D:501 |
9 |
1 |
294 |
cf |
D |
x,y,z |
1_555 |
23 |
13 |
11884 |
174.2 |
-1.7 |
0.639 |
9 |
0 |
0 |
0.200 |
62 |
|
[13P]N:501 |
9 |
1 |
292 |
cf |
N |
x,y,z |
1_555 |
23 |
13 |
11642 |
173.5 |
-1.7 |
0.631 |
9 |
0 |
0 |
0.200 |
63 |
|
[13P]T:501 |
9 |
1 |
292 |
cf |
T |
x,y,z |
1_555 |
23 |
13 |
11695 |
173.5 |
-1.7 |
0.645 |
9 |
0 |
0 |
0.200 |
64 |
|
[13P]H:501 |
9 |
1 |
292 |
cf |
H |
x,y,z |
1_555 |
24 |
14 |
11646 |
173.4 |
-1.7 |
0.644 |
9 |
0 |
0 |
0.200 |
65 |
|
[13P]J:501 |
9 |
1 |
292 |
cf |
J |
x,y,z |
1_555 |
23 |
13 |
11844 |
173.4 |
-1.6 |
0.640 |
9 |
0 |
0 |
0.200 |
66 |
|
[13P]G:501 |
9 |
1 |
294 |
cf |
G |
x,y,z |
1_555 |
22 |
13 |
11653 |
173.1 |
-1.7 |
0.645 |
9 |
0 |
0 |
0.200 |
67 |
|
[13P]A:501 |
9 |
1 |
291 |
cf |
A |
x,y,z |
1_555 |
24 |
13 |
11624 |
172.8 |
-1.7 |
0.644 |
9 |
0 |
0 |
0.200 |
68 |
|
[13P]B:501 |
9 |
1 |
292 |
cf |
B |
x,y,z |
1_555 |
24 |
13 |
11710 |
172.8 |
-1.7 |
0.609 |
9 |
0 |
0 |
0.200 |
69 |
|
[13P]L:501 |
9 |
1 |
291 |
cf |
L |
x,y,z |
1_555 |
23 |
13 |
11802 |
172.7 |
-1.8 |
0.627 |
9 |
0 |
0 |
0.200 |
Average: |
174.0 |
-1.7 |
0.631 |
9 |
0 |
0 |
0.200 |
11 |
70 |
|
F |
20 |
8 |
11681 |
◊ |
I |
x,y-1,z |
1_545 |
18 |
7 |
11823 |
157.4 |
1.0 |
0.749 |
0 |
0 |
0 |
0.000 |
71 |
|
A |
17 |
7 |
11624 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
5 |
11884 |
121.7 |
2.2 |
0.861 |
1 |
0 |
0 |
0.000 |
Average: |
139.5 |
1.6 |
0.805 |
1 |
0 |
0 |
0.000 |
12 |
72 |
|
O |
15 |
6 |
11618 |
◊ |
L |
x,y-1,z |
1_545 |
22 |
7 |
11802 |
150.2 |
0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
73 |
|
T |
14 |
6 |
11695 |
◊ |
Q |
x,y-1,z |
1_545 |
16 |
8 |
11708 |
135.7 |
0.7 |
0.708 |
1 |
0 |
0 |
0.000 |
Average: |
143.0 |
0.4 |
0.627 |
1 |
0 |
0 |
0.000 |
13 |
74 |
|
T |
22 |
7 |
11695 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
11688 |
147.5 |
-1.3 |
0.410 |
0 |
0 |
0 |
0.000 |
14 |
75 |
|
T |
13 |
7 |
11695 |
◊ |
E |
x,y,z-1 |
1_554 |
21 |
7 |
11704 |
143.2 |
-0.4 |
0.575 |
1 |
0 |
0 |
0.000 |
15 |
76 |
|
K |
21 |
6 |
11672 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
3 |
11964 |
138.8 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
77 |
|
G |
19 |
6 |
11653 |
◊ |
Q |
x-1,y,z |
1_455 |
12 |
3 |
11708 |
130.0 |
0.4 |
0.701 |
1 |
0 |
0 |
0.000 |
Average: |
134.4 |
0.4 |
0.697 |
1 |
0 |
0 |
0.000 |
16 |
78 |
|
S |
13 |
4 |
11696 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
11964 |
124.0 |
2.6 |
0.899 |
2 |
5 |
0 |
0.000 |
17 |
79 |
|
O |
9 |
4 |
11618 |
◊ |
J |
x,y-1,z+1 |
1_546 |
13 |
5 |
11844 |
103.7 |
-0.2 |
0.546 |
1 |
1 |
0 |
0.000 |
18 |
80 |
|
H |
9 |
3 |
11646 |
◊ |
N |
x-1,y+1,z |
1_465 |
13 |
5 |
11642 |
102.5 |
1.6 |
0.824 |
0 |
4 |
0 |
0.000 |
19 |
81 |
|
O |
8 |
6 |
11618 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
2 |
11884 |
75.5 |
1.2 |
0.817 |
0 |
0 |
0 |
0.000 |
82 |
|
T |
6 |
4 |
11695 |
◊ |
I |
x,y-1,z |
1_545 |
6 |
2 |
11823 |
42.4 |
0.6 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
59.0 |
0.9 |
0.782 |
0 |
0 |
0 |
0.000 |
20 |
83 |
|
F |
9 |
2 |
11681 |
◊ |
E |
x,y,z-1 |
1_554 |
8 |
3 |
11704 |
50.2 |
0.6 |
0.741 |
1 |
1 |
0 |
0.000 |
21 |
84 |
|
A |
3 |
1 |
11624 |
◊ |
P |
x,y-1,z+1 |
1_546 |
5 |
2 |
11703 |
43.6 |
0.9 |
0.855 |
3 |
3 |
0 |
0.000 |
22 |
85 |
|
T |
2 |
1 |
11695 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
11844 |
18.4 |
0.8 |
0.891 |
0 |
0 |
0 |
0.000 |
86 |
|
S |
2 |
1 |
11696 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11681 |
15.5 |
0.7 |
0.889 |
0 |
0 |
0 |
0.000 |
87 |
|
M |
2 |
1 |
11688 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11710 |
15.1 |
0.7 |
0.885 |
0 |
0 |
0 |
0.000 |
88 |
|
N |
2 |
1 |
11642 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11624 |
15.0 |
0.7 |
0.883 |
0 |
0 |
0 |
0.000 |
89 |
|
P |
2 |
1 |
11703 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
11823 |
14.7 |
0.7 |
0.881 |
0 |
0 |
0 |
0.000 |
90 |
|
O |
2 |
1 |
11618 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11704 |
14.6 |
0.7 |
0.880 |
0 |
0 |
0 |
0.000 |
91 |
|
Q |
2 |
1 |
11708 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11646 |
14.1 |
0.6 |
0.873 |
0 |
0 |
0 |
0.000 |
92 |
|
L |
2 |
1 |
11802 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11964 |
13.5 |
0.6 |
0.866 |
0 |
0 |
0 |
0.000 |
93 |
|
K |
2 |
1 |
11672 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11884 |
13.1 |
0.6 |
0.858 |
0 |
0 |
0 |
0.000 |
94 |
|
R |
2 |
1 |
11833 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
11653 |
9.8 |
0.5 |
0.828 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
0.7 |
0.873 |
0 |
0 |
0 |
0.000 |
23 |
95 |
|
P |
1 |
1 |
11703 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
11884 |
17.2 |
-0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
96 |
|
P |
3 |
2 |
11703 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
1 |
11704 |
14.0 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
97 |
|
K |
1 |
1 |
11672 |
◊ |
J |
x,y-1,z+1 |
1_546 |
1 |
1 |
11844 |
1.9 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
|