## |
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 |
|
X |
234 |
63 |
21865 |
◊ |
V |
x,y,z |
1_555 |
227 |
63 |
21792 |
2288.0 |
-37.2 |
0.001 |
12 |
4 |
0 |
0.696 |
2 |
|
N |
231 |
63 |
21840 |
◊ |
L |
x,y,z |
1_555 |
229 |
63 |
21852 |
2262.2 |
-36.1 |
0.001 |
14 |
4 |
0 |
0.696 |
3 |
|
M |
226 |
63 |
21854 |
◊ |
K |
x,y,z |
1_555 |
227 |
64 |
21828 |
2255.2 |
-36.3 |
0.001 |
12 |
2 |
0 |
0.696 |
4 |
|
S |
222 |
61 |
21845 |
◊ |
Q |
x,y,z |
1_555 |
218 |
61 |
21846 |
2235.1 |
-36.6 |
0.000 |
12 |
4 |
0 |
0.696 |
5 |
|
W |
222 |
63 |
21859 |
◊ |
U |
x,y,z |
1_555 |
230 |
66 |
21860 |
2233.4 |
-35.9 |
0.001 |
13 |
2 |
0 |
0.696 |
6 |
|
I |
223 |
63 |
21830 |
◊ |
A |
x,y,z |
1_555 |
228 |
63 |
21836 |
2223.3 |
-34.6 |
0.001 |
12 |
4 |
0 |
0.696 |
7 |
|
G |
231 |
64 |
21858 |
◊ |
E |
x,y,z |
1_555 |
223 |
62 |
21792 |
2221.9 |
-36.1 |
0.001 |
11 |
2 |
0 |
0.696 |
8 |
|
C |
219 |
63 |
21866 |
◊ |
B |
x,y,z |
1_555 |
225 |
63 |
21846 |
2212.7 |
-35.7 |
0.001 |
12 |
2 |
0 |
0.696 |
9 |
|
T |
231 |
63 |
21859 |
◊ |
R |
x,y,z |
1_555 |
221 |
60 |
21809 |
2211.4 |
-36.4 |
0.001 |
9 |
3 |
0 |
0.696 |
10 |
|
P |
221 |
63 |
21841 |
◊ |
O |
x,y,z |
1_555 |
223 |
67 |
21849 |
2204.2 |
-36.0 |
0.001 |
12 |
2 |
0 |
0.696 |
11 |
|
F |
220 |
62 |
21844 |
◊ |
D |
x,y,z |
1_555 |
216 |
60 |
21871 |
2183.9 |
-35.8 |
0.001 |
10 |
2 |
0 |
0.696 |
Average: |
2230.1 |
-36.1 |
0.001 |
12 |
3 |
0 |
0.696 |
2 |
12 |
|
J |
226 |
64 |
21842 |
◊ |
H |
x,y,z |
1_555 |
235 |
64 |
21829 |
2214.9 |
-37.7 |
0.000 |
12 |
2 |
0 |
0.696 |
3 |
13 |
|
E |
107 |
32 |
21792 |
◊ |
D |
x,y,z |
1_555 |
112 |
32 |
21871 |
1053.8 |
-6.4 |
0.361 |
13 |
4 |
0 |
0.162 |
14 |
|
X |
104 |
29 |
21865 |
◊ |
W |
x,y,z |
1_555 |
108 |
28 |
21859 |
1029.9 |
-6.5 |
0.345 |
7 |
4 |
0 |
0.162 |
15 |
|
T |
104 |
28 |
21859 |
◊ |
S |
x,y,z |
1_555 |
106 |
29 |
21845 |
1028.1 |
-6.6 |
0.344 |
8 |
4 |
0 |
0.162 |
16 |
|
J |
106 |
30 |
21842 |
◊ |
A |
x,y,z |
1_555 |
111 |
32 |
21836 |
1026.8 |
-5.8 |
0.400 |
12 |
4 |
0 |
0.162 |
17 |
|
O |
105 |
30 |
21849 |
◊ |
B |
x,y,z |
1_555 |
106 |
30 |
21846 |
1015.9 |
-6.5 |
0.342 |
11 |
4 |
0 |
0.162 |
18 |
|
G |
105 |
28 |
21858 |
◊ |
F |
x,y,z |
1_555 |
107 |
29 |
21844 |
1015.8 |
-6.7 |
0.335 |
7 |
4 |
0 |
0.162 |
19 |
|
N |
103 |
29 |
21840 |
◊ |
M |
x,y,z |
1_555 |
111 |
29 |
21854 |
1014.4 |
-6.5 |
0.352 |
5 |
4 |
0 |
0.162 |
20 |
|
R |
106 |
29 |
21809 |
◊ |
Q |
x,y,z |
1_555 |
105 |
30 |
21846 |
1014.2 |
-6.4 |
0.346 |
8 |
4 |
0 |
0.162 |
21 |
|
L |
104 |
28 |
21852 |
◊ |
K |
x,y,z |
1_555 |
106 |
28 |
21828 |
1001.6 |
-7.3 |
0.292 |
7 |
4 |
0 |
0.162 |
22 |
|
V |
102 |
29 |
21792 |
◊ |
U |
x,y,z |
1_555 |
104 |
28 |
21860 |
994.0 |
-7.0 |
0.306 |
6 |
4 |
0 |
0.162 |
23 |
|
P |
104 |
27 |
21841 |
◊ |
C |
x,y,z |
1_555 |
99 |
28 |
21866 |
989.4 |
-7.6 |
0.274 |
6 |
3 |
0 |
0.162 |
24 |
|
I |
99 |
27 |
21830 |
◊ |
H |
x,y,z |
1_555 |
97 |
26 |
21829 |
973.5 |
-7.4 |
0.263 |
5 |
3 |
0 |
0.162 |
Average: |
1013.1 |
-6.7 |
0.330 |
8 |
4 |
0 |
0.162 |
4 |
25 |
|
M |
56 |
17 |
21854 |
◊ |
I |
x,y,z |
1_555 |
54 |
17 |
21830 |
536.1 |
-0.8 |
0.610 |
2 |
0 |
0 |
0.021 |
26 |
|
V |
52 |
17 |
21792 |
◊ |
P |
x,y,z |
1_555 |
56 |
17 |
21841 |
520.7 |
-1.5 |
0.559 |
2 |
0 |
0 |
0.021 |
27 |
|
S |
51 |
16 |
21845 |
◊ |
L |
x,y,z |
1_555 |
53 |
16 |
21852 |
503.3 |
-1.5 |
0.551 |
2 |
0 |
0 |
0.021 |
28 |
|
W |
54 |
16 |
21859 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
52 |
16 |
21844 |
502.3 |
-1.8 |
0.525 |
2 |
0 |
0 |
0.021 |
29 |
|
Q |
51 |
16 |
21846 |
◊ |
Q |
-x,y,-z-1/2 |
3_554 |
50 |
16 |
21846 |
486.7 |
-1.7 |
0.532 |
2 |
0 |
0 |
0.021 |
Average: |
509.8 |
-1.5 |
0.555 |
2 |
0 |
0 |
0.021 |
5 |
30 |
|
D |
50 |
16 |
21871 |
◊ |
D |
x,-y,-z |
4_555 |
50 |
16 |
21871 |
488.1 |
-1.8 |
0.512 |
2 |
0 |
0 |
0.011 |
6 |
31 |
|
X |
47 |
16 |
21865 |
◊ |
N |
x-1/2,y-1/2,z |
5_445 |
48 |
17 |
21840 |
421.4 |
-3.1 |
0.300 |
0 |
0 |
0 |
0.000 |
32 |
|
U |
48 |
18 |
21860 |
◊ |
K |
x-1,y,z |
1_455 |
46 |
17 |
21828 |
417.9 |
-3.0 |
0.329 |
1 |
0 |
0 |
0.000 |
Average: |
419.6 |
-3.0 |
0.314 |
1 |
0 |
0 |
0.000 |
7 |
33 |
|
E |
42 |
15 |
21792 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
21866 |
356.8 |
0.2 |
0.658 |
1 |
7 |
0 |
0.000 |
34 |
|
R |
26 |
10 |
21809 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
29 |
9 |
21829 |
242.7 |
-0.7 |
0.557 |
1 |
6 |
0 |
0.000 |
35 |
|
T |
30 |
10 |
21859 |
◊ |
J |
x-1/2,y+1/2,z |
5_455 |
27 |
11 |
21842 |
228.4 |
1.1 |
0.754 |
1 |
3 |
0 |
0.000 |
36 |
|
G |
25 |
8 |
21858 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
21846 |
181.5 |
-0.4 |
0.575 |
0 |
3 |
0 |
0.000 |
Average: |
252.4 |
0.0 |
0.636 |
1 |
5 |
0 |
0.000 |
8 |
37 |
|
[FDP]U:700 |
19 |
1 |
452 |
f |
U |
x,y,z |
1_555 |
41 |
17 |
21860 |
293.9 |
-3.2 |
0.710 |
14 |
0 |
0 |
0.319 |
38 |
|
[FDP]W:700 |
19 |
1 |
454 |
f |
W |
x,y,z |
1_555 |
45 |
18 |
21859 |
293.8 |
-3.2 |
0.702 |
14 |
0 |
0 |
0.319 |
39 |
|
[FDP]B:700 |
19 |
1 |
455 |
f |
B |
x,y,z |
1_555 |
42 |
17 |
21846 |
293.0 |
-3.1 |
0.702 |
14 |
0 |
0 |
0.319 |
40 |
|
[FDP]T:700 |
19 |
1 |
453 |
f |
T |
x,y,z |
1_555 |
43 |
18 |
21859 |
292.5 |
-3.3 |
0.702 |
14 |
0 |
0 |
0.319 |
41 |
|
[FDP]H:700 |
19 |
1 |
452 |
f |
H |
x,y,z |
1_555 |
43 |
17 |
21829 |
292.5 |
-3.3 |
0.702 |
14 |
0 |
0 |
0.319 |
42 |
|
[FDP]R:700 |
19 |
1 |
450 |
f |
R |
x,y,z |
1_555 |
43 |
18 |
21809 |
292.5 |
-3.2 |
0.699 |
14 |
0 |
0 |
0.319 |
43 |
|
[FDP]G:700 |
19 |
1 |
452 |
f |
G |
x,y,z |
1_555 |
42 |
18 |
21858 |
292.3 |
-3.2 |
0.702 |
14 |
0 |
0 |
0.319 |
44 |
|
[FDP]O:700 |
19 |
1 |
453 |
f |
O |
x,y,z |
1_555 |
42 |
17 |
21849 |
292.1 |
-3.3 |
0.700 |
14 |
0 |
0 |
0.319 |
45 |
|
[FDP]K:700 |
19 |
1 |
453 |
f |
K |
x,y,z |
1_555 |
40 |
17 |
21828 |
292.0 |
-3.2 |
0.692 |
14 |
0 |
0 |
0.319 |
46 |
|
[FDP]Q:700 |
19 |
1 |
451 |
f |
Q |
x,y,z |
1_555 |
41 |
17 |
21846 |
292.0 |
-3.1 |
0.704 |
14 |
0 |
0 |
0.319 |
47 |
|
[FDP]M:700 |
19 |
1 |
452 |
f |
M |
x,y,z |
1_555 |
43 |
18 |
21854 |
291.6 |
-3.3 |
0.702 |
14 |
0 |
0 |
0.319 |
48 |
|
[FDP]S:700 |
19 |
1 |
453 |
f |
S |
x,y,z |
1_555 |
41 |
17 |
21845 |
291.1 |
-3.2 |
0.703 |
14 |
0 |
0 |
0.319 |
49 |
|
[FDP]X:700 |
19 |
1 |
451 |
f |
X |
x,y,z |
1_555 |
41 |
17 |
21865 |
291.1 |
-3.2 |
0.702 |
14 |
0 |
0 |
0.319 |
50 |
|
[FDP]C:700 |
19 |
1 |
450 |
f |
C |
x,y,z |
1_555 |
43 |
17 |
21866 |
290.9 |
-3.2 |
0.710 |
14 |
0 |
0 |
0.319 |
51 |
|
[FDP]D:700 |
19 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
42 |
17 |
21871 |
290.8 |
-3.2 |
0.718 |
14 |
0 |
0 |
0.319 |
52 |
|
[FDP]P:700 |
19 |
1 |
451 |
f |
P |
x,y,z |
1_555 |
42 |
17 |
21841 |
290.3 |
-3.2 |
0.694 |
14 |
0 |
0 |
0.319 |
53 |
|
[FDP]E:700 |
19 |
1 |
451 |
f |
E |
x,y,z |
1_555 |
44 |
18 |
21792 |
290.3 |
-3.2 |
0.693 |
14 |
0 |
0 |
0.319 |
54 |
|
[FDP]L:700 |
19 |
1 |
450 |
f |
L |
x,y,z |
1_555 |
41 |
17 |
21852 |
290.3 |
-3.2 |
0.716 |
14 |
0 |
0 |
0.319 |
55 |
|
[FDP]I:700 |
19 |
1 |
452 |
f |
I |
x,y,z |
1_555 |
44 |
17 |
21830 |
290.0 |
-3.3 |
0.696 |
14 |
0 |
0 |
0.319 |
56 |
|
[FDP]J:700 |
19 |
1 |
451 |
f |
J |
x,y,z |
1_555 |
44 |
18 |
21842 |
289.5 |
-3.3 |
0.692 |
14 |
0 |
0 |
0.319 |
57 |
|
[FDP]A:700 |
19 |
1 |
450 |
f |
A |
x,y,z |
1_555 |
44 |
18 |
21836 |
289.4 |
-3.3 |
0.692 |
14 |
0 |
0 |
0.319 |
58 |
|
[FDP]N:700 |
19 |
1 |
450 |
f |
N |
x,y,z |
1_555 |
40 |
17 |
21840 |
289.0 |
-3.2 |
0.693 |
14 |
0 |
0 |
0.319 |
59 |
|
[FDP]F:700 |
19 |
1 |
452 |
f |
F |
x,y,z |
1_555 |
42 |
17 |
21844 |
288.2 |
-3.2 |
0.702 |
14 |
0 |
0 |
0.319 |
60 |
|
[FDP]V:700 |
19 |
1 |
451 |
f |
V |
x,y,z |
1_555 |
43 |
17 |
21792 |
287.2 |
-3.1 |
0.684 |
14 |
0 |
0 |
0.319 |
Average: |
291.1 |
-3.2 |
0.701 |
14 |
0 |
0 |
0.319 |
9 |
61 |
|
N |
23 |
7 |
21840 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
21866 |
200.0 |
-1.6 |
0.422 |
2 |
1 |
0 |
0.000 |
10 |
62 |
|
V |
25 |
6 |
21792 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
21866 |
179.5 |
-3.8 |
0.148 |
1 |
1 |
0 |
0.041 |
63 |
|
S |
26 |
6 |
21845 |
◊ |
K |
x,y,z |
1_555 |
19 |
5 |
21828 |
178.7 |
-3.7 |
0.156 |
1 |
1 |
0 |
0.041 |
64 |
|
M |
25 |
6 |
21854 |
◊ |
H |
x,y,z |
1_555 |
21 |
6 |
21829 |
175.0 |
-3.6 |
0.164 |
1 |
1 |
0 |
0.041 |
65 |
|
X |
18 |
5 |
21865 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
24 |
6 |
21844 |
173.8 |
-2.9 |
0.209 |
1 |
1 |
0 |
0.041 |
66 |
|
U |
20 |
6 |
21860 |
◊ |
P |
x,y,z |
1_555 |
25 |
6 |
21841 |
171.5 |
-3.6 |
0.162 |
0 |
1 |
0 |
0.041 |
67 |
|
E |
19 |
7 |
21792 |
◊ |
D |
x,-y,-z |
4_555 |
23 |
6 |
21871 |
170.1 |
-2.8 |
0.227 |
0 |
0 |
0 |
0.041 |
68 |
|
W |
22 |
6 |
21859 |
◊ |
G |
x-1/2,y+1/2,z |
5_455 |
20 |
5 |
21858 |
168.0 |
-3.6 |
0.148 |
0 |
0 |
0 |
0.041 |
69 |
|
N |
19 |
5 |
21840 |
◊ |
I |
x,y,z |
1_555 |
23 |
6 |
21830 |
166.0 |
-2.7 |
0.233 |
1 |
1 |
0 |
0.041 |
70 |
|
T |
19 |
5 |
21859 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
21852 |
163.5 |
-3.5 |
0.152 |
0 |
0 |
0 |
0.041 |
71 |
|
R |
19 |
6 |
21809 |
◊ |
Q |
-x,y,-z-1/2 |
3_554 |
23 |
6 |
21846 |
158.0 |
-3.4 |
0.168 |
0 |
0 |
0 |
0.041 |
Average: |
170.4 |
-3.4 |
0.177 |
1 |
1 |
0 |
0.041 |
11 |
72 |
|
O |
24 |
7 |
21849 |
◊ |
L |
x,y,z |
1_555 |
21 |
7 |
21852 |
164.8 |
-0.7 |
0.541 |
1 |
0 |
0 |
0.000 |
12 |
73 |
|
U |
11 |
5 |
21860 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
20 |
8 |
21829 |
154.7 |
1.7 |
0.838 |
0 |
1 |
0 |
0.000 |
13 |
74 |
|
O |
16 |
4 |
21849 |
◊ |
N |
x,y,z |
1_555 |
13 |
5 |
21840 |
121.2 |
0.2 |
0.510 |
1 |
0 |
0 |
0.000 |
14 |
75 |
|
[FDP]I:700 |
12 |
1 |
452 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
21854 |
53.5 |
0.1 |
0.763 |
1 |
0 |
0 |
0.006 |
76 |
|
[FDP]V:700 |
10 |
1 |
451 |
◊ |
P |
x,y,z |
1_555 |
4 |
2 |
21841 |
51.2 |
-0.1 |
0.707 |
1 |
0 |
0 |
0.006 |
77 |
|
W |
4 |
2 |
21859 |
◊ |
[FDP]F:700 |
x-1/2,y+1/2,z |
5_455 |
8 |
1 |
452 |
48.4 |
-0.0 |
0.727 |
1 |
0 |
0 |
0.006 |
78 |
|
[FDP]D:700 |
8 |
1 |
451 |
◊ |
D |
x,-y,-z |
4_555 |
4 |
2 |
21871 |
46.7 |
-0.0 |
0.706 |
0 |
0 |
0 |
0.006 |
79 |
|
[FDP]W:700 |
9 |
1 |
454 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
4 |
2 |
21844 |
45.7 |
0.3 |
0.781 |
1 |
0 |
0 |
0.006 |
80 |
|
[FDP]M:700 |
10 |
1 |
452 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
21830 |
45.1 |
0.2 |
0.778 |
1 |
0 |
0 |
0.006 |
81 |
|
[FDP]L:700 |
10 |
1 |
450 |
◊ |
S |
x,y,z |
1_555 |
4 |
2 |
21845 |
45.1 |
0.1 |
0.747 |
1 |
0 |
0 |
0.006 |
82 |
|
[FDP]S:700 |
9 |
1 |
453 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
21852 |
43.6 |
0.1 |
0.734 |
1 |
0 |
0 |
0.006 |
83 |
|
[FDP]P:700 |
10 |
1 |
451 |
◊ |
V |
x,y,z |
1_555 |
4 |
2 |
21792 |
43.3 |
0.2 |
0.762 |
1 |
0 |
0 |
0.006 |
84 |
|
[FDP]Q:700 |
10 |
1 |
451 |
◊ |
Q |
-x,y,-z-1/2 |
3_554 |
4 |
2 |
21846 |
41.3 |
-0.1 |
0.695 |
0 |
0 |
0 |
0.006 |
Average: |
46.4 |
0.1 |
0.740 |
1 |
0 |
0 |
0.006 |
15 |
85 |
|
T |
4 |
3 |
21859 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
4 |
2 |
21829 |
37.4 |
-0.8 |
0.252 |
0 |
0 |
0 |
0.000 |
86 |
|
G |
6 |
3 |
21858 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
21866 |
35.3 |
-0.9 |
0.313 |
0 |
0 |
0 |
0.000 |
Average: |
36.4 |
-0.9 |
0.282 |
0 |
0 |
0 |
0.000 |
16 |
87 |
|
I |
5 |
3 |
21830 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
21866 |
33.7 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
17 |
88 |
|
P |
2 |
1 |
21841 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
21830 |
17.1 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|