| ## |
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 |
820 |
223 |
63081 |
◊ |
I |
x,y,z |
1_555 |
775 |
192 |
66514 |
7785.4 |
-85.9 |
0.000 |
89 |
28 |
0 |
0.909 |
2 |
|
D |
823 |
223 |
60370 |
◊ |
C |
x,y,z |
1_555 |
771 |
190 |
66007 |
7763.1 |
-87.0 |
0.000 |
88 |
27 |
0 |
0.909 |
| Average: |
7774.3 |
-86.5 |
0.000 |
89 |
28 |
0 |
0.909 |
| 2 |
3 |
|
F |
260 |
74 |
31226 |
◊ |
D |
x,y,z |
1_555 |
288 |
83 |
60370 |
2658.7 |
-22.8 |
0.054 |
28 |
20 |
0 |
0.854 |
4 |
|
L |
266 |
75 |
31191 |
◊ |
J |
x,y,z |
1_555 |
288 |
83 |
63081 |
2654.7 |
-21.2 |
0.081 |
30 |
21 |
0 |
0.854 |
| Average: |
2656.7 |
-22.0 |
0.068 |
29 |
21 |
0 |
0.854 |
| 3 |
5 |
|
F |
208 |
59 |
31226 |
◊ |
C |
x,y,z |
1_555 |
210 |
59 |
66007 |
1973.2 |
-23.7 |
0.049 |
10 |
1 |
0 |
0.896 |
6 |
|
L |
195 |
57 |
31191 |
◊ |
I |
x,y,z |
1_555 |
198 |
57 |
66514 |
1832.9 |
-24.1 |
0.030 |
8 |
2 |
0 |
0.896 |
| Average: |
1903.0 |
-23.9 |
0.039 |
9 |
2 |
0 |
0.896 |
| 4 |
7 |
|
B |
170 |
47 |
13648 |
◊ |
A |
x,y,z |
1_555 |
177 |
42 |
12984 |
1730.1 |
-20.5 |
0.045 |
10 |
5 |
0 |
1.000 |
8 |
|
H |
171 |
46 |
13056 |
◊ |
G |
x,y,z |
1_555 |
180 |
47 |
13346 |
1700.1 |
-19.5 |
0.059 |
11 |
3 |
0 |
1.000 |
| Average: |
1715.1 |
-20.0 |
0.052 |
11 |
4 |
0 |
1.000 |
| 5 |
9 |
|
I |
183 |
57 |
66514 |
◊ |
G |
x,y,z |
1_555 |
183 |
51 |
13346 |
1708.8 |
-5.1 |
0.517 |
24 |
10 |
0 |
0.840 |
10 |
|
C |
177 |
56 |
66007 |
◊ |
A |
x,y,z |
1_555 |
179 |
51 |
12984 |
1697.3 |
-4.2 |
0.526 |
26 |
10 |
0 |
0.840 |
| Average: |
1703.1 |
-4.6 |
0.522 |
25 |
10 |
0 |
0.840 |
| 6 |
11 |
|
J |
190 |
59 |
63081 |
◊ |
D |
x,y,z |
1_555 |
183 |
54 |
60370 |
1630.1 |
-10.7 |
0.343 |
7 |
0 |
0 |
0.000 |
| 7 |
12 |
|
E |
113 |
30 |
6669 |
◊ |
D |
x,y,z |
1_555 |
144 |
39 |
60370 |
1354.6 |
-10.9 |
0.203 |
15 |
8 |
0 |
0.742 |
13 |
|
K |
113 |
30 |
5787 |
◊ |
J |
x,y,z |
1_555 |
143 |
39 |
63081 |
1344.8 |
-11.0 |
0.154 |
14 |
8 |
0 |
0.742 |
| Average: |
1349.7 |
-10.9 |
0.179 |
15 |
8 |
0 |
0.742 |
| 8 |
14 |
|
D |
94 |
26 |
60370 |
◊ |
B |
x,y,z |
1_555 |
102 |
28 |
13648 |
951.4 |
-3.3 |
0.529 |
9 |
9 |
0 |
0.030 |
15 |
|
J |
81 |
23 |
63081 |
◊ |
H |
x,y,z |
1_555 |
93 |
25 |
13056 |
828.2 |
-1.0 |
0.619 |
6 |
6 |
0 |
0.030 |
| Average: |
889.8 |
-2.1 |
0.574 |
8 |
8 |
0 |
0.030 |
| 9 |
16 |
|
I |
108 |
31 |
66514 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
105 |
31 |
66007 |
946.6 |
-0.7 |
0.661 |
7 |
11 |
0 |
0.000 |
| 10 |
17 |
|
F |
90 |
27 |
31226 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
100 |
30 |
66007 |
946.1 |
0.8 |
0.726 |
5 |
6 |
0 |
0.000 |
| 11 |
18 |
|
L |
63 |
19 |
31191 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
17 |
60370 |
546.2 |
1.0 |
0.749 |
4 |
0 |
0 |
0.000 |
19 |
|
J |
56 |
16 |
63081 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
17 |
31226 |
517.0 |
1.2 |
0.758 |
4 |
0 |
0 |
0.000 |
| Average: |
531.6 |
1.1 |
0.753 |
4 |
0 |
0 |
0.000 |
| 12 |
20 |
|
E |
40 |
10 |
6669 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
48 |
15 |
66007 |
433.3 |
-4.3 |
0.252 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
L |
48 |
12 |
31191 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
46 |
12 |
60370 |
415.5 |
3.3 |
0.849 |
7 |
4 |
0 |
0.000 |
| 14 |
22 |
|
L |
44 |
12 |
31191 |
◊ |
F |
x,y-1,z |
1_545 |
43 |
12 |
31226 |
410.9 |
0.6 |
0.733 |
6 |
14 |
0 |
0.000 |
| 15 |
23 |
|
J |
46 |
14 |
63081 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
15 |
60370 |
408.4 |
-4.3 |
0.296 |
2 |
0 |
0 |
0.000 |
| 16 |
24 |
|
D |
42 |
13 |
60370 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
49 |
16 |
66007 |
404.2 |
-2.5 |
0.415 |
2 |
2 |
0 |
0.000 |
| 17 |
25 |
|
G |
34 |
13 |
13346 |
◊ |
B |
x-1/2,-y-3/2,-z |
4_435 |
35 |
11 |
13648 |
323.7 |
0.6 |
0.538 |
4 |
1 |
0 |
0.000 |
| 18 |
26 |
|
[42U]I:1401 |
27 |
1 |
649 |
f |
I |
x,y,z |
1_555 |
40 |
11 |
66514 |
280.7 |
-1.5 |
0.272 |
4 |
0 |
0 |
0.160 |
27 |
|
[42U]C:1401 |
26 |
1 |
648 |
f |
C |
x,y,z |
1_555 |
40 |
11 |
66007 |
279.0 |
-1.5 |
0.272 |
4 |
0 |
0 |
0.160 |
| Average: |
279.9 |
-1.5 |
0.272 |
4 |
0 |
0 |
0.160 |
| 19 |
28 |
|
C |
30 |
8 |
66007 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
13648 |
272.2 |
1.6 |
0.772 |
5 |
4 |
0 |
0.026 |
29 |
|
I |
27 |
7 |
66514 |
◊ |
H |
x,y,z |
1_555 |
32 |
9 |
13056 |
271.3 |
1.5 |
0.763 |
4 |
5 |
0 |
0.026 |
| Average: |
271.8 |
1.6 |
0.768 |
5 |
5 |
0 |
0.026 |
| 20 |
30 |
|
[42U]C:1401 |
25 |
1 |
648 |
◊ |
D |
x,y,z |
1_555 |
32 |
8 |
60370 |
262.8 |
-3.2 |
0.119 |
0 |
0 |
0 |
0.022 |
31 |
|
[42U]I:1401 |
25 |
1 |
649 |
◊ |
J |
x,y,z |
1_555 |
32 |
8 |
63081 |
261.8 |
-3.2 |
0.113 |
0 |
0 |
0 |
0.022 |
| Average: |
262.3 |
-3.2 |
0.116 |
0 |
0 |
0 |
0.022 |
| 21 |
32 |
|
E |
21 |
6 |
6669 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
66007 |
227.6 |
-0.8 |
0.516 |
3 |
0 |
0 |
0.009 |
33 |
|
K |
22 |
6 |
5787 |
◊ |
I |
x,y,z |
1_555 |
30 |
8 |
66514 |
212.1 |
-0.2 |
0.567 |
2 |
0 |
0 |
0.009 |
| Average: |
219.9 |
-0.5 |
0.541 |
3 |
0 |
0 |
0.009 |
| 22 |
34 |
|
L |
19 |
8 |
31191 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
7 |
31226 |
221.8 |
-1.0 |
0.514 |
0 |
2 |
0 |
0.000 |
| 23 |
35 |
|
I |
23 |
7 |
66514 |
◊ |
A |
-x-1/2,-y-1,z-1/2 |
2_444 |
35 |
10 |
12984 |
210.6 |
-0.6 |
0.524 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
I |
25 |
8 |
66514 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
8 |
31226 |
203.5 |
0.7 |
0.707 |
2 |
1 |
0 |
0.000 |
37 |
|
L |
8 |
4 |
31191 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
5 |
66007 |
72.8 |
0.3 |
0.666 |
1 |
0 |
0 |
0.000 |
| Average: |
138.2 |
0.5 |
0.686 |
2 |
1 |
0 |
0.000 |
| 25 |
38 |
|
H |
17 |
5 |
13056 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
19 |
5 |
66007 |
185.6 |
0.5 |
0.646 |
1 |
0 |
0 |
0.000 |
| 26 |
39 |
|
I |
17 |
6 |
66514 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
12 |
4 |
60370 |
122.7 |
0.1 |
0.626 |
2 |
0 |
0 |
0.000 |
| 27 |
40 |
|
I |
15 |
3 |
66514 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
14 |
5 |
13648 |
119.5 |
-0.9 |
0.348 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
I |
9 |
3 |
66514 |
◊ |
B |
x-1/2,-y-3/2,-z |
4_435 |
8 |
2 |
13648 |
93.2 |
-0.1 |
0.529 |
1 |
1 |
0 |
0.000 |
| 29 |
42 |
|
[MG]J:1501 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
63081 |
49.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.259 |
43 |
|
[MG]D:1501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
60370 |
48.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.259 |
| Average: |
49.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.259 |
| 30 |
44 |
|
I |
8 |
3 |
66514 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
66007 |
45.3 |
0.5 |
0.702 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
I |
7 |
3 |
66514 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
8 |
4 |
63081 |
41.2 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
| 32 |
46 |
|
D |
5 |
2 |
60370 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
31226 |
20.6 |
-0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
| 33 |
47 |
|
L |
1 |
1 |
31191 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
1 |
1 |
66007 |
4.7 |
0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| 34 |
48 |
|
G |
1 |
1 |
13346 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
66007 |
2.5 |
-0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| 35 |
49 |
|
[MG]D:1501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
66007 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 36 |
50 |
|
J |
1 |
1 |
63081 |
◊ |
A |
-x-1/2,-y-1,z-1/2 |
2_444 |
1 |
1 |
12984 |
0.9 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
D |
1 |
1 |
60370 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12984 |
0.3 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|