## |
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 |
426 |
98 |
20060 |
◊ |
I |
x,y,z |
1_555 |
418 |
101 |
20037 |
4067.6 |
-34.5 |
0.018 |
58 |
2 |
0 |
0.952 |
2 |
|
F |
416 |
100 |
20056 |
◊ |
E |
x,y,z |
1_555 |
404 |
97 |
19890 |
4056.6 |
-34.3 |
0.023 |
62 |
6 |
0 |
0.952 |
3 |
|
H |
410 |
97 |
20146 |
◊ |
G |
x,y,z |
1_555 |
421 |
100 |
19769 |
3967.5 |
-38.0 |
0.013 |
54 |
3 |
0 |
0.952 |
4 |
|
D |
398 |
98 |
19505 |
◊ |
C |
x,y,z |
1_555 |
405 |
98 |
20061 |
3872.3 |
-36.6 |
0.008 |
66 |
3 |
0 |
0.952 |
5 |
|
B |
392 |
96 |
19533 |
◊ |
A |
x,y,z |
1_555 |
390 |
97 |
19885 |
3786.6 |
-36.4 |
0.011 |
52 |
2 |
0 |
0.952 |
Average: |
3950.1 |
-36.0 |
0.015 |
58 |
3 |
0 |
0.952 |
2 |
6 |
|
E |
126 |
32 |
19890 |
◊ |
D |
x,y,z |
1_555 |
133 |
34 |
19505 |
1218.8 |
0.2 |
0.627 |
32 |
17 |
0 |
1.000 |
7 |
|
I |
122 |
33 |
20037 |
◊ |
H |
x,y,z |
1_555 |
127 |
32 |
20146 |
1187.9 |
-3.9 |
0.421 |
33 |
16 |
0 |
1.000 |
8 |
|
C |
129 |
33 |
20061 |
◊ |
B |
x,y,z |
1_555 |
125 |
34 |
19533 |
1171.6 |
-0.2 |
0.572 |
34 |
17 |
0 |
1.000 |
9 |
|
J |
128 |
33 |
20060 |
◊ |
A |
x,y,z |
1_555 |
128 |
34 |
19885 |
1163.9 |
-0.7 |
0.567 |
34 |
18 |
0 |
1.000 |
10 |
|
G |
129 |
34 |
19769 |
◊ |
F |
x,y,z |
1_555 |
128 |
33 |
20056 |
1137.5 |
-0.7 |
0.597 |
31 |
15 |
0 |
1.000 |
Average: |
1175.9 |
-1.0 |
0.557 |
33 |
17 |
0 |
1.000 |
3 |
11 |
|
C |
56 |
16 |
20061 |
◊ |
A |
x-1,y,z |
1_455 |
55 |
14 |
19885 |
519.5 |
2.2 |
0.714 |
5 |
3 |
0 |
0.000 |
12 |
|
D |
49 |
13 |
19505 |
◊ |
B |
x-1,y,z |
1_455 |
52 |
14 |
19533 |
470.1 |
0.0 |
0.515 |
4 |
2 |
0 |
0.000 |
Average: |
494.8 |
1.1 |
0.614 |
5 |
3 |
0 |
0.000 |
4 |
13 |
|
C |
56 |
17 |
20061 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
46 |
14 |
20146 |
383.8 |
1.9 |
0.690 |
3 |
0 |
0 |
0.000 |
5 |
14 |
|
E |
28 |
6 |
19890 |
◊ |
H |
x-1,y,z-1 |
1_454 |
31 |
11 |
20146 |
290.6 |
0.4 |
0.585 |
0 |
0 |
0 |
0.000 |
6 |
15 |
|
G |
40 |
11 |
19769 |
◊ |
I |
x-1,y,z |
1_455 |
29 |
7 |
20037 |
281.7 |
1.1 |
0.687 |
4 |
1 |
0 |
0.000 |
7 |
16 |
|
C |
35 |
11 |
20061 |
◊ |
G |
x,y-1,z-1 |
1_544 |
33 |
10 |
19769 |
274.8 |
0.8 |
0.578 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
B |
39 |
11 |
19533 |
◊ |
H |
x,y-1,z-1 |
1_544 |
27 |
7 |
20146 |
269.9 |
-2.7 |
0.268 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
F |
26 |
8 |
20056 |
◊ |
H |
x-1,y,z |
1_455 |
37 |
14 |
20146 |
258.9 |
0.4 |
0.555 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
B |
26 |
9 |
19533 |
◊ |
F |
x,y-1,z |
1_545 |
25 |
8 |
20056 |
226.0 |
0.1 |
0.505 |
1 |
2 |
0 |
0.000 |
11 |
20 |
|
C |
27 |
6 |
20061 |
◊ |
J |
x-1,y,z-1 |
1_454 |
19 |
4 |
20060 |
211.1 |
0.3 |
0.593 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
D |
18 |
5 |
19505 |
◊ |
I |
x-1,y,z-1 |
1_454 |
28 |
6 |
20037 |
188.6 |
-0.4 |
0.480 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
F |
25 |
8 |
20056 |
◊ |
J |
x-1,y+1,z |
1_465 |
23 |
10 |
20060 |
187.8 |
2.0 |
0.760 |
1 |
1 |
0 |
0.000 |
14 |
23 |
|
J |
19 |
8 |
20060 |
◊ |
G |
x,y-1,z |
1_545 |
15 |
4 |
19769 |
168.4 |
-0.6 |
0.341 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
A |
26 |
10 |
19885 |
◊ |
F |
x,y-1,z |
1_545 |
27 |
12 |
20056 |
163.2 |
-0.6 |
0.497 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
E |
19 |
6 |
19890 |
◊ |
I |
x-1,y,z-1 |
1_454 |
17 |
6 |
20037 |
157.6 |
1.7 |
0.763 |
0 |
4 |
0 |
0.000 |
17 |
26 |
|
A |
16 |
3 |
19885 |
◊ |
E |
x,y-1,z |
1_545 |
13 |
2 |
19890 |
143.2 |
-1.4 |
0.213 |
0 |
1 |
0 |
0.000 |
18 |
27 |
|
B |
17 |
8 |
19533 |
◊ |
E |
x,y-1,z |
1_545 |
16 |
5 |
19890 |
138.6 |
1.7 |
0.773 |
2 |
3 |
0 |
0.000 |
19 |
28 |
|
D |
11 |
3 |
19505 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
3 |
19885 |
130.7 |
-4.2 |
0.029 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
D |
14 |
5 |
19505 |
◊ |
J |
x-1,y,z-1 |
1_454 |
10 |
3 |
20060 |
126.1 |
-0.4 |
0.362 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[THJ]C:501 |
5 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
20061 |
121.4 |
-2.5 |
0.398 |
2 |
0 |
0 |
0.142 |
22 |
31 |
|
[THJ]A:2002 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19885 |
116.3 |
-2.4 |
0.404 |
2 |
0 |
0 |
0.082 |
23 |
32 |
|
[THJ]D:502 |
5 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
19505 |
115.1 |
-3.2 |
0.277 |
2 |
0 |
0 |
0.125 |
24 |
33 |
|
[THJ]E:502 |
5 |
1 |
210 |
f |
E |
x,y,z |
1_555 |
20 |
10 |
19890 |
112.9 |
-2.7 |
0.349 |
2 |
0 |
0 |
0.108 |
25 |
34 |
|
[THJ]I:502 |
5 |
1 |
210 |
f |
I |
x,y,z |
1_555 |
19 |
8 |
20037 |
112.4 |
-2.6 |
0.364 |
1 |
0 |
0 |
0.103 |
26 |
35 |
|
[THJ]J:501 |
5 |
1 |
211 |
f |
J |
x,y,z |
1_555 |
19 |
9 |
20060 |
110.4 |
-2.0 |
0.442 |
4 |
0 |
0 |
0.093 |
27 |
36 |
|
[THJ]H:501 |
5 |
1 |
211 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
20146 |
108.5 |
-1.7 |
0.497 |
3 |
0 |
0 |
0.103 |
28 |
37 |
|
[THJ]D:503 |
5 |
1 |
211 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
19505 |
106.6 |
-1.1 |
0.562 |
2 |
0 |
0 |
0.061 |
38 |
|
[THJ]J:502 |
5 |
1 |
210 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
20060 |
105.6 |
-1.4 |
0.503 |
2 |
0 |
0 |
0.061 |
Average: |
106.1 |
-1.2 |
0.532 |
2 |
0 |
0 |
0.061 |
29 |
39 |
|
[THJ]A:2004 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
19885 |
105.9 |
-2.0 |
0.432 |
3 |
0 |
0 |
0.082 |
30 |
40 |
|
E |
15 |
3 |
19890 |
◊ |
J |
x-1,y,z |
1_455 |
17 |
3 |
20060 |
105.9 |
-2.5 |
0.188 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[THJ]E:503 |
5 |
1 |
210 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
19890 |
104.0 |
-2.4 |
0.420 |
2 |
0 |
0 |
0.101 |
32 |
42 |
|
[THJ]B:501 |
5 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
19533 |
102.9 |
-1.1 |
0.593 |
3 |
0 |
0 |
0.102 |
33 |
43 |
|
[THJ]J:503 |
5 |
1 |
209 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
20060 |
102.5 |
-2.4 |
0.417 |
1 |
0 |
0 |
0.069 |
34 |
44 |
|
[THJ]I:503 |
5 |
1 |
209 |
f |
I |
x,y,z |
1_555 |
14 |
7 |
20037 |
102.3 |
-1.8 |
0.459 |
2 |
0 |
0 |
0.090 |
35 |
45 |
|
[THJ]E:504 |
5 |
1 |
210 |
f |
E |
x,y,z |
1_555 |
17 |
5 |
19890 |
102.2 |
-0.9 |
0.546 |
3 |
0 |
0 |
0.068 |
36 |
46 |
|
[THJ]A:2003 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19885 |
101.1 |
-2.6 |
0.376 |
2 |
0 |
0 |
0.086 |
37 |
47 |
|
[K]I:501 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
18 |
6 |
20060 |
97.0 |
-63.7 |
0.000 |
0 |
0 |
0 |
0.622 |
48 |
|
[K]D:501 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
19505 |
96.2 |
-64.2 |
0.000 |
0 |
0 |
0 |
0.622 |
49 |
|
[K]E:501 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
19890 |
95.1 |
-62.9 |
0.000 |
0 |
0 |
0 |
0.622 |
50 |
|
[K]G:501 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
20146 |
92.6 |
-62.2 |
0.000 |
0 |
0 |
0 |
0.622 |
51 |
|
[K]A:2001 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19885 |
91.9 |
-59.1 |
0.000 |
0 |
0 |
0 |
0.622 |
52 |
|
[K]A:2001 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
19533 |
86.2 |
-48.7 |
0.000 |
0 |
0 |
0 |
0.622 |
53 |
|
[K]G:501 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
19769 |
84.1 |
-45.9 |
0.000 |
0 |
0 |
0 |
0.622 |
54 |
|
[K]I:501 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
20037 |
81.6 |
-44.1 |
0.000 |
0 |
0 |
0 |
0.622 |
55 |
|
[K]E:501 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
20 |
6 |
20056 |
79.6 |
-45.0 |
0.000 |
0 |
0 |
0 |
0.622 |
56 |
|
[K]D:501 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
20061 |
79.0 |
-43.7 |
0.000 |
0 |
0 |
0 |
0.622 |
Average: |
88.3 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.622 |
38 |
57 |
|
B |
16 |
7 |
19533 |
◊ |
I |
x-1,y-1,z-1 |
1_444 |
15 |
7 |
20037 |
95.2 |
1.3 |
0.731 |
1 |
1 |
0 |
0.000 |
39 |
58 |
|
B |
10 |
3 |
19533 |
◊ |
G |
x,y-1,z-1 |
1_544 |
10 |
3 |
19769 |
93.9 |
-0.4 |
0.512 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
I |
10 |
5 |
20037 |
◊ |
G |
x,y-1,z |
1_545 |
16 |
6 |
19769 |
79.7 |
0.6 |
0.685 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[THJ]I:502 |
5 |
1 |
210 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
20060 |
72.0 |
1.7 |
0.763 |
3 |
0 |
0 |
0.000 |
42 |
61 |
|
[THJ]A:2002 |
5 |
1 |
210 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
19533 |
67.7 |
1.4 |
0.763 |
2 |
0 |
0 |
0.000 |
43 |
62 |
|
[THJ]D:502 |
5 |
1 |
211 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
20061 |
67.6 |
1.6 |
0.753 |
2 |
0 |
0 |
0.000 |
44 |
63 |
|
[THJ]J:501 |
5 |
1 |
211 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
20037 |
67.6 |
1.2 |
0.722 |
4 |
0 |
0 |
0.007 |
45 |
64 |
|
F |
8 |
4 |
20056 |
◊ |
A |
x-1,y+1,z |
1_465 |
11 |
5 |
19885 |
66.6 |
1.0 |
0.727 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
J |
8 |
2 |
20060 |
◊ |
H |
x,y-1,z |
1_545 |
7 |
2 |
20146 |
63.1 |
-1.2 |
0.267 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[THJ]C:501 |
5 |
1 |
211 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
19505 |
63.0 |
1.3 |
0.743 |
3 |
0 |
0 |
0.000 |
48 |
67 |
|
[THJ]E:502 |
5 |
1 |
210 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
20056 |
59.0 |
1.0 |
0.759 |
3 |
0 |
0 |
0.004 |
49 |
68 |
|
[THJ]E:504 |
4 |
1 |
210 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19505 |
45.0 |
-1.4 |
0.176 |
0 |
0 |
0 |
0.041 |
50 |
69 |
|
[THJ]B:501 |
4 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19885 |
42.9 |
0.0 |
0.464 |
0 |
0 |
0 |
0.000 |
51 |
70 |
|
[THJ]J:503 |
4 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19885 |
40.6 |
-0.9 |
0.215 |
0 |
0 |
0 |
0.023 |
52 |
71 |
|
[THJ]A:2004 |
4 |
1 |
210 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
20060 |
40.6 |
-1.4 |
0.219 |
0 |
0 |
0 |
0.034 |
53 |
72 |
|
[THJ]H:501 |
4 |
1 |
211 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
19769 |
39.8 |
-0.1 |
0.383 |
0 |
0 |
0 |
0.001 |
54 |
73 |
|
[THJ]E:503 |
4 |
1 |
210 |
◊ |
F |
x,y,z |
1_555 |
8 |
1 |
20056 |
39.3 |
-1.4 |
0.419 |
0 |
0 |
0 |
0.020 |
55 |
74 |
|
[THJ]D:503 |
4 |
1 |
211 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
20061 |
38.5 |
-0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
56 |
75 |
|
[THJ]J:502 |
4 |
1 |
210 |
◊ |
I |
x,y,z |
1_555 |
6 |
1 |
20037 |
37.5 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
57 |
76 |
|
G |
7 |
2 |
19769 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
2 |
20060 |
36.9 |
0.4 |
0.695 |
0 |
0 |
0 |
0.000 |
58 |
77 |
|
[THJ]I:503 |
4 |
1 |
209 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
20060 |
36.9 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.002 |
59 |
78 |
|
[THJ]A:2003 |
3 |
1 |
211 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
19533 |
36.7 |
-0.0 |
0.434 |
0 |
0 |
0 |
0.000 |
60 |
79 |
|
C |
6 |
2 |
20061 |
◊ |
F |
x,y-1,z-1 |
1_544 |
6 |
3 |
20056 |
34.4 |
0.4 |
0.703 |
0 |
0 |
0 |
0.000 |
61 |
80 |
|
[THJ]J:503 |
4 |
1 |
209 |
f |
[THJ]J:502 |
x,y,z |
1_555 |
4 |
1 |
210 |
31.0 |
-0.4 |
0.591 |
0 |
0 |
0 |
0.010 |
62 |
81 |
|
[THJ]E:504 |
4 |
1 |
210 |
f |
[THJ]E:503 |
x,y,z |
1_555 |
4 |
1 |
210 |
30.8 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
63 |
82 |
|
[THJ]A:2004 |
4 |
1 |
210 |
f |
[THJ]A:2003 |
x,y,z |
1_555 |
4 |
1 |
211 |
23.2 |
-0.4 |
0.591 |
0 |
0 |
0 |
0.009 |
64 |
83 |
|
E |
2 |
1 |
19890 |
◊ |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
19885 |
21.1 |
1.5 |
0.955 |
0 |
0 |
0 |
0.000 |
65 |
84 |
|
F |
2 |
1 |
20056 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19505 |
11.8 |
0.9 |
0.917 |
0 |
0 |
0 |
0.000 |
85 |
|
C |
1 |
1 |
20061 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19885 |
8.1 |
0.6 |
0.911 |
0 |
0 |
0 |
0.000 |
86 |
|
I |
2 |
2 |
20037 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
19769 |
6.9 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
87 |
|
J |
1 |
1 |
20060 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
20146 |
6.2 |
0.5 |
0.885 |
0 |
0 |
0 |
0.000 |
88 |
|
H |
1 |
1 |
20146 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
20056 |
1.5 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
89 |
|
E |
1 |
1 |
19890 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20061 |
0.3 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
Average: |
5.8 |
0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
66 |
90 |
|
C |
3 |
1 |
20061 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
19533 |
9.2 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
67 |
91 |
|
D |
1 |
1 |
19505 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
20146 |
4.1 |
0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
68 |
92 |
|
[THJ]B:501 |
1 |
1 |
210 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20061 |
2.7 |
-0.2 |
0.402 |
0 |
0 |
0 |
0.006 |
69 |
93 |
|
[THJ]A:2004 |
1 |
1 |
210 |
f |
[THJ]A:2002 |
x,y,z |
1_555 |
1 |
1 |
210 |
1.8 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.004 |
70 |
94 |
|
D |
1 |
1 |
19505 |
◊ |
G |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
19769 |
1.6 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
|