## |
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 |
|
D |
178 |
48 |
15159 |
◊ |
C |
x,y,z |
1_555 |
169 |
48 |
14874 |
1764.9 |
-25.6 |
0.026 |
11 |
0 |
0 |
1.000 |
2 |
|
F |
181 |
46 |
15141 |
◊ |
E |
x,y,z |
1_555 |
172 |
45 |
14830 |
1757.1 |
-24.5 |
0.038 |
12 |
0 |
0 |
1.000 |
3 |
|
B |
178 |
48 |
15222 |
◊ |
A |
x,y,z |
1_555 |
169 |
49 |
14851 |
1755.3 |
-23.1 |
0.054 |
13 |
0 |
0 |
1.000 |
4 |
|
H |
171 |
48 |
15088 |
◊ |
G |
x,y,z |
1_555 |
180 |
48 |
14889 |
1754.4 |
-23.6 |
0.052 |
14 |
0 |
0 |
1.000 |
Average: |
1757.9 |
-24.2 |
0.043 |
13 |
0 |
0 |
1.000 |
2 |
5 |
|
D |
75 |
25 |
15159 |
◊ |
B |
x,y,z |
1_555 |
77 |
25 |
15222 |
695.2 |
-5.1 |
0.443 |
0 |
0 |
0 |
0.007 |
6 |
|
H |
75 |
24 |
15088 |
◊ |
F |
x,y,z |
1_555 |
79 |
25 |
15141 |
683.1 |
-5.2 |
0.447 |
1 |
0 |
0 |
0.007 |
Average: |
689.2 |
-5.1 |
0.445 |
1 |
0 |
0 |
0.007 |
3 |
7 |
|
G |
73 |
17 |
14889 |
◊ |
A |
x,y,z |
1_555 |
75 |
18 |
14851 |
686.4 |
-11.9 |
0.066 |
6 |
0 |
0 |
1.000 |
8 |
|
E |
72 |
16 |
14830 |
◊ |
C |
x,y,z |
1_555 |
75 |
18 |
14874 |
685.0 |
-11.9 |
0.073 |
5 |
0 |
0 |
1.000 |
Average: |
685.7 |
-11.9 |
0.069 |
6 |
0 |
0 |
1.000 |
4 |
9 |
|
D |
59 |
18 |
15159 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
65 |
25 |
14874 |
618.1 |
0.8 |
0.834 |
1 |
4 |
0 |
0.000 |
10 |
|
A |
68 |
23 |
14851 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
67 |
19 |
15222 |
615.3 |
-1.1 |
0.736 |
2 |
3 |
0 |
0.000 |
11 |
|
H |
62 |
18 |
15088 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
66 |
23 |
14889 |
609.9 |
-1.2 |
0.697 |
1 |
4 |
0 |
0.000 |
12 |
|
E |
54 |
20 |
14830 |
◊ |
F |
-x-1,y-1/2,-z+1 |
2_446 |
58 |
19 |
15141 |
546.6 |
-2.2 |
0.624 |
3 |
3 |
0 |
0.000 |
Average: |
597.5 |
-0.9 |
0.723 |
2 |
4 |
0 |
0.000 |
5 |
13 |
|
[LHB]B:501 |
31 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
80 |
29 |
15222 |
472.6 |
-0.1 |
0.465 |
2 |
0 |
0 |
0.040 |
6 |
14 |
|
[LHB]D:501 |
31 |
1 |
653 |
f |
D |
x,y,z |
1_555 |
81 |
31 |
15159 |
462.2 |
1.6 |
0.612 |
5 |
0 |
0 |
0.084 |
15 |
|
[LHB]H:501 |
30 |
1 |
646 |
f |
H |
x,y,z |
1_555 |
80 |
29 |
15088 |
459.7 |
0.2 |
0.520 |
5 |
0 |
0 |
0.084 |
16 |
|
[LHB]F:501 |
31 |
1 |
649 |
f |
F |
x,y,z |
1_555 |
79 |
30 |
15141 |
454.2 |
2.6 |
0.642 |
4 |
0 |
0 |
0.084 |
Average: |
458.7 |
1.5 |
0.591 |
5 |
0 |
0 |
0.084 |
7 |
17 |
|
A |
37 |
13 |
14851 |
◊ |
B |
x,y-1,z |
1_545 |
45 |
16 |
15222 |
380.5 |
-0.0 |
0.750 |
1 |
3 |
0 |
0.000 |
18 |
|
H |
41 |
18 |
15088 |
◊ |
G |
x,y-1,z |
1_545 |
37 |
13 |
14889 |
367.3 |
-1.8 |
0.555 |
0 |
1 |
0 |
0.000 |
Average: |
373.9 |
-0.9 |
0.653 |
1 |
2 |
0 |
0.000 |
8 |
19 |
|
F |
40 |
11 |
15141 |
◊ |
C |
x,y,z |
1_555 |
41 |
11 |
14874 |
320.6 |
-1.9 |
0.563 |
2 |
0 |
0 |
0.130 |
20 |
|
G |
37 |
11 |
14889 |
◊ |
B |
x,y,z |
1_555 |
40 |
10 |
15222 |
311.0 |
-4.5 |
0.228 |
0 |
0 |
0 |
0.130 |
21 |
|
H |
37 |
9 |
15088 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
14851 |
290.3 |
-4.8 |
0.220 |
0 |
0 |
0 |
0.130 |
22 |
|
E |
37 |
10 |
14830 |
◊ |
D |
x,y,z |
1_555 |
39 |
10 |
15159 |
282.4 |
-2.0 |
0.536 |
2 |
0 |
0 |
0.130 |
Average: |
301.1 |
-3.3 |
0.387 |
1 |
0 |
0 |
0.130 |
9 |
23 |
|
D |
34 |
13 |
15159 |
◊ |
C |
x,y-1,z |
1_545 |
29 |
12 |
14874 |
303.6 |
-1.0 |
0.506 |
0 |
0 |
0 |
0.000 |
24 |
|
E |
25 |
10 |
14830 |
◊ |
F |
x,y-1,z |
1_545 |
30 |
12 |
15141 |
257.6 |
-1.9 |
0.480 |
1 |
0 |
0 |
0.000 |
Average: |
280.6 |
-1.5 |
0.493 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
[PG4]F:503 |
13 |
1 |
398 |
f |
F |
x,y,z |
1_555 |
35 |
13 |
15141 |
254.3 |
6.1 |
0.466 |
0 |
0 |
0 |
0.000 |
11 |
26 |
|
G |
23 |
10 |
14889 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
10 |
15222 |
226.4 |
0.6 |
0.750 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
26 |
9 |
15088 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
9 |
14851 |
185.4 |
1.1 |
0.824 |
0 |
2 |
0 |
0.000 |
Average: |
205.9 |
0.9 |
0.787 |
0 |
1 |
0 |
0.000 |
12 |
28 |
|
[M2M]E:504 |
9 |
1 |
320 |
◊ |
E |
x,y,z |
1_555 |
26 |
9 |
14830 |
198.2 |
5.4 |
0.179 |
0 |
0 |
0 |
0.000 |
13 |
29 |
|
[M2M]C:504 |
9 |
1 |
319 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
14874 |
197.8 |
5.9 |
0.246 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
F |
23 |
9 |
15141 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
10 |
14874 |
172.0 |
0.0 |
0.714 |
0 |
1 |
0 |
0.000 |
31 |
|
E |
19 |
9 |
14830 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
8 |
15159 |
147.7 |
-0.1 |
0.677 |
0 |
2 |
0 |
0.000 |
Average: |
159.8 |
-0.0 |
0.695 |
0 |
2 |
0 |
0.000 |
15 |
32 |
|
[PEG]D:504 |
7 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
28 |
10 |
15159 |
167.1 |
3.3 |
0.433 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
[DXE]C:505 |
6 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
37 |
14 |
14874 |
160.6 |
5.4 |
0.465 |
0 |
0 |
0 |
0.000 |
17 |
34 |
|
[PG4]F:505 |
13 |
1 |
408 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
15141 |
157.1 |
4.8 |
0.322 |
0 |
0 |
0 |
0.000 |
18 |
35 |
|
G |
20 |
7 |
14889 |
◊ |
F |
x,y,z |
1_555 |
21 |
7 |
15141 |
155.4 |
-1.7 |
0.453 |
1 |
0 |
0 |
0.006 |
36 |
|
D |
20 |
6 |
15159 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
14851 |
155.4 |
-2.0 |
0.381 |
1 |
0 |
0 |
0.006 |
37 |
|
C |
18 |
7 |
14874 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
15222 |
155.2 |
-1.8 |
0.396 |
1 |
0 |
0 |
0.006 |
38 |
|
H |
17 |
5 |
15088 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
14830 |
155.0 |
-1.9 |
0.372 |
1 |
0 |
0 |
0.006 |
Average: |
155.2 |
-1.8 |
0.400 |
1 |
0 |
0 |
0.006 |
19 |
39 |
|
[PG4]D:502 |
11 |
1 |
407 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
15159 |
147.1 |
4.5 |
0.405 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
[PG4]C:502 |
11 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
14874 |
139.1 |
2.3 |
0.274 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
[PG4]D:502 |
12 |
1 |
407 |
f |
C |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
14874 |
118.5 |
2.1 |
0.211 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[EDO]G:504 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
21 |
8 |
14889 |
115.4 |
2.3 |
0.391 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
E |
11 |
4 |
14830 |
f |
[PG4]F:505 |
-x-1,y-1/2,-z+1 |
2_446 |
12 |
1 |
408 |
115.4 |
1.8 |
0.176 |
2 |
0 |
0 |
0.000 |
24 |
44 |
|
[EDO]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
15222 |
109.8 |
2.7 |
0.474 |
1 |
0 |
0 |
0.000 |
25 |
45 |
|
E |
10 |
5 |
14830 |
◊ |
C |
x-1,y-1,z |
1_445 |
9 |
4 |
14874 |
91.7 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[EDO]H:502 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
17 |
4 |
15088 |
85.3 |
2.0 |
0.267 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[EDO]B:503 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
15222 |
83.5 |
2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
14874 |
79.2 |
2.0 |
0.268 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]D:503 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
15159 |
78.0 |
2.1 |
0.269 |
0 |
0 |
0 |
0.000 |
Average: |
78.6 |
2.0 |
0.268 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[EDO]G:502 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
17 |
4 |
14889 |
73.7 |
2.1 |
0.266 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
[EDO]F:504 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
16 |
4 |
15141 |
72.9 |
2.0 |
0.259 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
14851 |
72.2 |
2.1 |
0.257 |
0 |
0 |
0 |
0.000 |
32 |
53 |
|
[EDO]E:502 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
3 |
14830 |
70.6 |
1.7 |
0.260 |
0 |
0 |
0 |
0.000 |
33 |
54 |
|
[PG4]C:502 |
6 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
15222 |
69.0 |
1.5 |
0.380 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
[NA]F:506 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
8 |
15141 |
65.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.679 |
56 |
|
[NA]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
15159 |
64.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.679 |
Average: |
65.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.679 |
35 |
57 |
|
[EDO]F:502 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
15141 |
64.4 |
1.7 |
0.792 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[EDO]G:503 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
14889 |
59.2 |
0.8 |
0.631 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[EDO]G:503 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
15141 |
56.4 |
1.5 |
0.755 |
1 |
0 |
0 |
0.000 |
38 |
60 |
|
[EDO]E:503 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
14830 |
45.1 |
0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
39 |
61 |
|
[PG4]F:503 |
5 |
1 |
398 |
f |
[LHB]F:501 |
x,y,z |
1_555 |
4 |
1 |
649 |
39.5 |
0.1 |
0.175 |
0 |
0 |
0 |
0.000 |
40 |
62 |
|
[EDO]E:503 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
15088 |
36.2 |
0.9 |
0.842 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
[PEG]D:504 |
3 |
1 |
257 |
f |
[LHB]D:501 |
x,y,z |
1_555 |
3 |
1 |
653 |
35.7 |
0.4 |
0.211 |
0 |
0 |
0 |
0.000 |
42 |
64 |
|
[DXE]C:505 |
2 |
1 |
252 |
f |
[M2M]C:504 |
x,y,z |
1_555 |
4 |
1 |
319 |
29.8 |
1.7 |
0.049 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
E |
3 |
1 |
14830 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
14851 |
20.7 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
66 |
|
G |
3 |
1 |
14889 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
14874 |
14.1 |
0.4 |
0.785 |
0 |
0 |
0 |
0.000 |
Average: |
17.4 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
[PG4]F:505 |
3 |
1 |
408 |
f |
[EDO]F:502 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.2 |
0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
45 |
68 |
|
[PG4]C:502 |
2 |
1 |
395 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
15159 |
16.6 |
-0.0 |
0.305 |
0 |
0 |
0 |
0.002 |
46 |
69 |
|
[EDO]G:503 |
1 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
15088 |
10.8 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
47 |
70 |
|
[LHB]B:501 |
3 |
1 |
641 |
f |
[EDO]B:502 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.3 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.002 |
48 |
71 |
|
[M2M]E:504 |
1 |
1 |
320 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
15141 |
1.7 |
0.1 |
0.855 |
0 |
0 |
0 |
0.000 |
49 |
72 |
|
H |
1 |
1 |
15088 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
15222 |
1.1 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
|