| ## |
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 |
|
I |
818 |
219 |
62238 |
◊ |
H |
x,y,z |
1_555 |
785 |
191 |
68585 |
7735.4 |
-85.2 |
0.001 |
83 |
22 |
0 |
0.913 |
2 |
|
D |
809 |
215 |
61946 |
◊ |
C |
x,y,z |
1_555 |
780 |
192 |
67988 |
7692.9 |
-84.8 |
0.001 |
83 |
23 |
0 |
0.913 |
| Average: |
7714.1 |
-85.0 |
0.001 |
83 |
23 |
0 |
0.913 |
| 2 |
3 |
|
X |
355 |
95 |
36686 |
◊ |
D |
x,y,z |
1_555 |
361 |
95 |
61946 |
3383.4 |
-24.1 |
0.161 |
29 |
29 |
0 |
0.861 |
4 |
|
Y |
267 |
72 |
32004 |
◊ |
I |
x,y,z |
1_555 |
268 |
79 |
62238 |
2650.3 |
-22.8 |
0.064 |
18 |
20 |
0 |
0.861 |
| Average: |
3016.8 |
-23.4 |
0.112 |
24 |
25 |
0 |
0.861 |
| 3 |
5 |
|
X |
224 |
64 |
36686 |
◊ |
C |
x,y,z |
1_555 |
225 |
60 |
67988 |
2095.9 |
-19.0 |
0.105 |
13 |
4 |
0 |
0.789 |
6 |
|
Y |
164 |
50 |
32004 |
◊ |
H |
x,y,z |
1_555 |
164 |
45 |
68585 |
1532.6 |
-13.6 |
0.157 |
8 |
0 |
0 |
0.789 |
| Average: |
1814.2 |
-16.3 |
0.131 |
11 |
2 |
0 |
0.789 |
| 4 |
7 |
|
B |
197 |
53 |
13300 |
◊ |
A |
x,y,z |
1_555 |
185 |
46 |
20817 |
1915.3 |
-20.5 |
0.054 |
9 |
8 |
0 |
1.000 |
| 5 |
8 |
|
C |
223 |
67 |
67988 |
◊ |
A |
x,y,z |
1_555 |
217 |
65 |
20817 |
1908.4 |
-4.8 |
0.578 |
24 |
8 |
0 |
0.772 |
| 6 |
9 |
|
F |
196 |
57 |
13444 |
◊ |
H |
x,y,z |
1_555 |
194 |
55 |
68585 |
1725.0 |
-2.7 |
0.656 |
23 |
7 |
0 |
0.074 |
| 7 |
10 |
|
F |
170 |
44 |
13444 |
◊ |
G |
x,y,z |
1_555 |
174 |
42 |
12734 |
1722.7 |
-24.6 |
0.010 |
5 |
3 |
0 |
1.000 |
| 8 |
11 |
|
I |
147 |
50 |
62238 |
◊ |
D |
x,y,z |
1_555 |
156 |
50 |
61946 |
1386.4 |
-6.7 |
0.516 |
6 |
0 |
0 |
0.000 |
| 9 |
12 |
|
E |
112 |
30 |
7052 |
◊ |
D |
x,y,z |
1_555 |
146 |
38 |
61946 |
1306.6 |
-9.0 |
0.257 |
8 |
5 |
0 |
0.721 |
13 |
|
J |
118 |
30 |
5553 |
◊ |
I |
x,y,z |
1_555 |
144 |
37 |
62238 |
1304.0 |
-9.0 |
0.215 |
10 |
4 |
0 |
0.721 |
| Average: |
1305.3 |
-9.0 |
0.236 |
9 |
5 |
0 |
0.721 |
| 10 |
14 |
|
D |
96 |
28 |
61946 |
◊ |
B |
x,y,z |
1_555 |
112 |
30 |
13300 |
975.0 |
-4.6 |
0.440 |
7 |
2 |
0 |
0.038 |
15 |
|
I |
98 |
26 |
62238 |
◊ |
G |
x,y,z |
1_555 |
101 |
30 |
12734 |
923.6 |
-5.4 |
0.397 |
8 |
1 |
0 |
0.038 |
| Average: |
949.3 |
-5.0 |
0.418 |
8 |
2 |
0 |
0.038 |
| 11 |
16 |
|
C |
106 |
28 |
67988 |
◊ |
X |
x-1/2,-y+1/2,-z |
4_455 |
95 |
28 |
36686 |
873.3 |
4.6 |
0.819 |
5 |
5 |
0 |
0.000 |
| 12 |
17 |
|
H |
77 |
30 |
68585 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
84 |
30 |
67988 |
711.0 |
-3.2 |
0.448 |
2 |
2 |
0 |
0.000 |
| 13 |
18 |
|
C |
59 |
19 |
67988 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
55 |
15 |
61946 |
564.2 |
0.0 |
0.651 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
Y |
64 |
17 |
32004 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
62 |
17 |
61946 |
550.6 |
-2.2 |
0.425 |
2 |
0 |
0 |
0.000 |
20 |
|
I |
62 |
17 |
62238 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
63 |
18 |
36686 |
548.4 |
-0.0 |
0.671 |
4 |
0 |
0 |
0.000 |
| Average: |
549.5 |
-1.1 |
0.548 |
3 |
0 |
0 |
0.000 |
| 15 |
21 |
|
C |
54 |
16 |
67988 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
52 |
15 |
20817 |
540.9 |
-0.6 |
0.466 |
5 |
3 |
0 |
0.000 |
| 16 |
22 |
|
[1RM]C:1401 |
51 |
1 |
1187 |
f |
C |
x,y,z |
1_555 |
67 |
22 |
67988 |
527.2 |
-3.6 |
0.762 |
3 |
0 |
0 |
0.228 |
23 |
|
[1RM]H:1401 |
50 |
1 |
925 |
f |
H |
x,y,z |
1_555 |
67 |
22 |
68585 |
522.2 |
-3.1 |
0.754 |
4 |
0 |
0 |
0.228 |
| Average: |
524.7 |
-3.4 |
0.758 |
4 |
0 |
0 |
0.228 |
| 17 |
24 |
|
Y |
56 |
15 |
32004 |
◊ |
X |
x,y-1,z |
1_545 |
55 |
12 |
36686 |
509.1 |
1.4 |
0.742 |
6 |
7 |
0 |
0.000 |
| 18 |
25 |
|
C |
64 |
20 |
67988 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
40 |
10 |
7052 |
454.7 |
-4.1 |
0.312 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
D |
48 |
12 |
61946 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
40 |
12 |
32004 |
420.2 |
0.6 |
0.698 |
5 |
7 |
0 |
0.000 |
| 20 |
27 |
|
Y |
51 |
20 |
32004 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
55 |
19 |
36686 |
407.1 |
0.2 |
0.579 |
2 |
0 |
0 |
0.000 |
| 21 |
28 |
|
B |
45 |
13 |
13300 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
42 |
11 |
68585 |
405.6 |
6.4 |
0.943 |
7 |
4 |
0 |
0.000 |
| 22 |
29 |
|
B |
43 |
13 |
13300 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
45 |
14 |
13444 |
401.3 |
-4.1 |
0.175 |
3 |
0 |
0 |
0.000 |
| 23 |
30 |
|
I |
52 |
14 |
62238 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
53 |
14 |
61946 |
394.9 |
-3.2 |
0.453 |
2 |
0 |
0 |
0.000 |
| 24 |
31 |
|
X |
33 |
9 |
36686 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
20817 |
331.0 |
0.0 |
0.590 |
1 |
0 |
0 |
0.009 |
| 25 |
32 |
|
C |
33 |
9 |
67988 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
13300 |
297.5 |
1.4 |
0.728 |
3 |
4 |
0 |
0.011 |
33 |
|
H |
32 |
9 |
68585 |
◊ |
G |
x,y,z |
1_555 |
32 |
10 |
12734 |
294.3 |
1.4 |
0.736 |
3 |
4 |
0 |
0.011 |
| Average: |
295.9 |
1.4 |
0.732 |
3 |
4 |
0 |
0.011 |
| 26 |
34 |
|
C |
28 |
10 |
67988 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
30 |
10 |
12734 |
258.3 |
0.2 |
0.639 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
E |
20 |
7 |
7052 |
◊ |
C |
x,y,z |
1_555 |
28 |
7 |
67988 |
230.4 |
-0.2 |
0.577 |
1 |
0 |
0 |
0.003 |
36 |
|
J |
21 |
8 |
5553 |
◊ |
H |
x,y,z |
1_555 |
29 |
7 |
68585 |
225.9 |
-0.2 |
0.562 |
1 |
0 |
0 |
0.003 |
| Average: |
228.1 |
-0.2 |
0.569 |
1 |
0 |
0 |
0.003 |
| 28 |
37 |
|
A |
28 |
9 |
20817 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
9 |
68585 |
195.0 |
0.4 |
0.672 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
D |
19 |
5 |
61946 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
68585 |
167.8 |
0.4 |
0.479 |
1 |
2 |
0 |
0.000 |
| 30 |
39 |
|
D |
15 |
6 |
61946 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
6 |
36686 |
153.2 |
-0.6 |
0.555 |
4 |
0 |
0 |
0.000 |
| 31 |
40 |
|
Y |
16 |
7 |
32004 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
6 |
62238 |
138.9 |
0.3 |
0.668 |
1 |
0 |
0 |
0.000 |
| 32 |
41 |
|
H |
15 |
5 |
68585 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
17 |
5 |
36686 |
128.4 |
-0.1 |
0.608 |
1 |
1 |
0 |
0.000 |
| 33 |
42 |
|
[1RM]C:1401 |
11 |
1 |
1187 |
◊ |
X |
x,y,z |
1_555 |
16 |
5 |
36686 |
110.5 |
-1.8 |
0.552 |
0 |
0 |
0 |
0.057 |
| 34 |
43 |
|
D |
17 |
8 |
61946 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20817 |
103.9 |
1.3 |
0.783 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
C |
11 |
4 |
67988 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
4 |
68585 |
74.0 |
2.2 |
0.889 |
1 |
0 |
0 |
0.000 |
| 36 |
45 |
|
C |
11 |
4 |
67988 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
32004 |
58.5 |
0.5 |
0.639 |
1 |
1 |
0 |
0.000 |
| 37 |
46 |
|
[MG]D:1503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
61946 |
47.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.334 |
47 |
|
[MG]I:1503 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
62238 |
41.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.334 |
| Average: |
44.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.334 |
| 38 |
48 |
|
A |
7 |
2 |
20817 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
7052 |
38.5 |
0.8 |
0.800 |
1 |
0 |
0 |
0.000 |
| 39 |
49 |
|
A |
3 |
1 |
20817 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
12734 |
27.6 |
0.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| 40 |
50 |
|
[MG]I:1503 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
68585 |
18.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.011 |
51 |
|
[MG]D:1503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
67988 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 41 |
52 |
|
F |
2 |
2 |
13444 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
62238 |
18.0 |
0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
C |
1 |
1 |
67988 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
67988 |
10.1 |
0.5 |
0.877 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
Y |
2 |
1 |
32004 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
2 |
67988 |
3.5 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 44 |
55 |
|
A |
1 |
1 |
20817 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
62238 |
3.4 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
|