## |
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 |
|
B |
323 |
89 |
20333 |
◊ |
A |
x,y,z |
1_555 |
317 |
87 |
19989 |
3168.0 |
-38.9 |
0.055 |
34 |
25 |
0 |
0.614 |
2 |
|
D |
323 |
87 |
20190 |
◊ |
C |
x,y,z |
1_555 |
316 |
86 |
20223 |
3160.7 |
-36.1 |
0.073 |
31 |
26 |
0 |
0.614 |
Average: |
3164.4 |
-37.5 |
0.064 |
33 |
26 |
0 |
0.614 |
2 |
3 |
|
H |
117 |
33 |
10971 |
◊ |
G |
x,y,z |
1_555 |
114 |
32 |
10873 |
1212.4 |
-17.1 |
0.028 |
6 |
0 |
0 |
0.252 |
4 |
|
F |
106 |
30 |
10896 |
◊ |
E |
x,y,z |
1_555 |
109 |
33 |
10847 |
1184.7 |
-12.3 |
0.099 |
6 |
0 |
0 |
0.252 |
Average: |
1198.6 |
-14.7 |
0.063 |
6 |
0 |
0 |
0.252 |
3 |
5 |
|
E |
101 |
24 |
10847 |
◊ |
D |
x,y,z |
1_555 |
94 |
27 |
20190 |
890.0 |
-4.5 |
0.509 |
8 |
1 |
0 |
0.092 |
6 |
|
G |
101 |
24 |
10873 |
◊ |
A |
x,y,z |
1_555 |
91 |
27 |
19989 |
856.7 |
-5.2 |
0.487 |
7 |
3 |
0 |
0.092 |
Average: |
873.3 |
-4.9 |
0.498 |
8 |
2 |
0 |
0.092 |
4 |
7 |
|
F |
70 |
17 |
10896 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
20333 |
614.8 |
-3.3 |
0.412 |
3 |
0 |
0 |
0.029 |
8 |
|
H |
69 |
17 |
10971 |
◊ |
C |
x,y,z |
1_555 |
52 |
17 |
20223 |
587.7 |
-5.0 |
0.338 |
3 |
0 |
0 |
0.029 |
Average: |
601.3 |
-4.1 |
0.375 |
3 |
0 |
0 |
0.029 |
5 |
9 |
|
B |
53 |
16 |
20333 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
43 |
12 |
20223 |
455.1 |
0.9 |
0.825 |
12 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
41 |
9 |
20190 |
◊ |
F |
x-1,y,z |
1_455 |
34 |
13 |
10896 |
370.4 |
-3.3 |
0.241 |
0 |
0 |
0 |
0.000 |
11 |
|
H |
33 |
12 |
10971 |
◊ |
A |
x-1,y,z |
1_455 |
42 |
9 |
19989 |
358.8 |
-3.7 |
0.237 |
1 |
0 |
0 |
0.000 |
Average: |
364.6 |
-3.5 |
0.239 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
42 |
11 |
20333 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
46 |
14 |
10873 |
361.6 |
-1.0 |
0.604 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
35 |
14 |
20333 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
34 |
13 |
20190 |
358.8 |
-3.3 |
0.356 |
2 |
2 |
0 |
0.000 |
9 |
14 |
|
C |
38 |
14 |
20223 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
42 |
11 |
20333 |
351.5 |
1.9 |
0.816 |
11 |
1 |
0 |
0.000 |
10 |
15 |
|
F |
38 |
13 |
10896 |
◊ |
D |
x,y,z |
1_555 |
50 |
17 |
20190 |
335.7 |
-0.6 |
0.488 |
2 |
0 |
0 |
0.017 |
16 |
|
H |
32 |
10 |
10971 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
19989 |
287.6 |
-0.1 |
0.565 |
4 |
0 |
0 |
0.017 |
Average: |
311.7 |
-0.3 |
0.526 |
3 |
0 |
0 |
0.017 |
11 |
17 |
|
C |
41 |
11 |
20223 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
10 |
20333 |
327.6 |
-2.4 |
0.541 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
E |
29 |
10 |
10847 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
20333 |
299.7 |
-3.0 |
0.223 |
1 |
1 |
0 |
0.018 |
19 |
|
G |
31 |
10 |
10873 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
20223 |
282.3 |
-2.2 |
0.249 |
2 |
2 |
0 |
0.018 |
Average: |
291.0 |
-2.6 |
0.236 |
2 |
2 |
0 |
0.018 |
13 |
20 |
|
G |
27 |
10 |
10873 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
20333 |
236.6 |
-0.6 |
0.525 |
2 |
1 |
0 |
0.000 |
21 |
|
C |
18 |
8 |
20223 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
7 |
10847 |
187.9 |
0.7 |
0.591 |
4 |
1 |
0 |
0.000 |
Average: |
212.3 |
0.0 |
0.558 |
3 |
1 |
0 |
0.000 |
14 |
22 |
|
C |
25 |
9 |
20223 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
26 |
8 |
19989 |
232.7 |
-2.3 |
0.431 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
H |
29 |
8 |
10971 |
◊ |
F |
x-1,y,z-1 |
1_454 |
25 |
9 |
10896 |
210.4 |
1.4 |
0.775 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
[PRP]E:301 |
17 |
1 |
473 |
f |
E |
x,y,z |
1_555 |
28 |
11 |
10847 |
195.2 |
-4.4 |
0.721 |
8 |
0 |
0 |
0.181 |
25 |
|
[PRP]H:301 |
17 |
1 |
478 |
f |
H |
x,y,z |
1_555 |
29 |
12 |
10971 |
194.0 |
-3.5 |
0.733 |
8 |
0 |
0 |
0.181 |
26 |
|
[PRP]G:301 |
15 |
1 |
490 |
f |
G |
x,y,z |
1_555 |
27 |
11 |
10873 |
187.9 |
-3.2 |
0.746 |
9 |
0 |
0 |
0.181 |
Average: |
192.4 |
-3.7 |
0.733 |
8 |
0 |
0 |
0.181 |
17 |
27 |
|
[PRP]F:301 |
14 |
1 |
476 |
f |
F |
x,y,z |
1_555 |
28 |
11 |
10896 |
194.8 |
-3.9 |
0.686 |
9 |
0 |
0 |
0.133 |
18 |
28 |
|
C |
17 |
6 |
20223 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20333 |
169.4 |
-3.7 |
0.141 |
0 |
0 |
0 |
0.010 |
19 |
29 |
|
C |
17 |
6 |
20223 |
◊ |
E |
-x-1,y-1/2,-z+1 |
2_446 |
18 |
6 |
10847 |
149.4 |
0.7 |
0.735 |
1 |
0 |
0 |
0.000 |
20 |
30 |
|
C |
19 |
5 |
20223 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
19989 |
147.6 |
-2.1 |
0.267 |
1 |
0 |
0 |
0.012 |
31 |
|
D |
13 |
4 |
20190 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
20333 |
122.6 |
-1.4 |
0.322 |
1 |
0 |
0 |
0.012 |
Average: |
135.1 |
-1.8 |
0.294 |
1 |
0 |
0 |
0.012 |
21 |
32 |
|
G |
15 |
5 |
10873 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
4 |
20190 |
101.4 |
-1.2 |
0.416 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
G |
6 |
2 |
10873 |
◊ |
E |
x,y,z-1 |
1_554 |
8 |
3 |
10847 |
81.8 |
-1.9 |
0.106 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
19989 |
75.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.229 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
20333 |
69.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.229 |
36 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
20223 |
68.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.229 |
37 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
20190 |
68.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.229 |
Average: |
70.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.229 |
24 |
38 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
10873 |
72.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.234 |
39 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
10847 |
72.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.234 |
40 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
10971 |
71.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
71.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.234 |
25 |
41 |
|
D |
9 |
5 |
20190 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
19989 |
67.0 |
0.7 |
0.800 |
1 |
1 |
0 |
0.000 |
26 |
42 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
10896 |
66.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.327 |
43 |
|
[CL]H:303 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
10971 |
65.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.327 |
44 |
|
[CL]G:304 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
10873 |
64.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.327 |
45 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
10847 |
64.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.327 |
Average: |
65.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.327 |
27 |
46 |
|
D |
5 |
1 |
20190 |
x |
D |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
2 |
20190 |
61.7 |
-0.5 |
0.480 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
C |
9 |
4 |
20223 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
8 |
5 |
20190 |
59.7 |
0.5 |
0.755 |
1 |
0 |
0 |
0.000 |
29 |
48 |
|
[CL]G:303 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
10873 |
59.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.095 |
30 |
49 |
|
E |
7 |
3 |
10847 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
19989 |
56.7 |
0.0 |
0.633 |
1 |
0 |
0 |
0.002 |
50 |
|
G |
7 |
3 |
10873 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20190 |
47.5 |
0.3 |
0.692 |
1 |
0 |
0 |
0.002 |
Average: |
52.1 |
0.2 |
0.663 |
1 |
0 |
0 |
0.002 |
31 |
51 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19989 |
54.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.170 |
52 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
20223 |
53.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.170 |
53 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20333 |
51.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.170 |
54 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
20190 |
51.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
52.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.170 |
32 |
55 |
|
A |
4 |
1 |
19989 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
7 |
2 |
19989 |
47.0 |
-0.3 |
0.528 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
F |
4 |
2 |
10896 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20223 |
38.4 |
0.7 |
0.780 |
2 |
0 |
0 |
0.001 |
57 |
|
H |
4 |
3 |
10971 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20333 |
31.7 |
0.7 |
0.803 |
0 |
0 |
0 |
0.001 |
Average: |
35.1 |
0.7 |
0.792 |
1 |
0 |
0 |
0.001 |
34 |
58 |
|
A |
7 |
4 |
19989 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
3 |
10847 |
35.6 |
-0.9 |
0.372 |
0 |
0 |
0 |
0.000 |
35 |
59 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20190 |
29.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.034 |
60 |
|
[CL]G:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19989 |
27.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
28.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.034 |
36 |
61 |
|
B |
3 |
3 |
20333 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
4 |
3 |
19989 |
26.0 |
0.4 |
0.766 |
1 |
0 |
0 |
0.000 |
37 |
62 |
|
D |
1 |
1 |
20190 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20333 |
21.5 |
-0.6 |
0.179 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
2 |
1 |
20223 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19989 |
19.6 |
-0.6 |
0.168 |
0 |
0 |
0 |
0.000 |
Average: |
20.5 |
-0.6 |
0.173 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
F |
4 |
2 |
10896 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
4 |
20223 |
8.5 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
F |
3 |
1 |
10896 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
2 |
20190 |
6.0 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
H |
1 |
1 |
10971 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
19989 |
3.4 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
|