## |
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 |
|
E |
237 |
60 |
14488 |
◊ |
C |
x,y,z |
1_555 |
233 |
59 |
14506 |
2247.1 |
-16.2 |
0.407 |
41 |
18 |
0 |
0.467 |
2 |
|
F |
240 |
60 |
14388 |
◊ |
A |
x,y,z |
1_555 |
236 |
60 |
14566 |
2233.6 |
-16.2 |
0.385 |
38 |
16 |
0 |
0.467 |
3 |
|
D |
229 |
60 |
14477 |
◊ |
B |
x,y,z |
1_555 |
233 |
60 |
14590 |
2209.2 |
-15.8 |
0.400 |
39 |
15 |
0 |
0.467 |
4 |
|
I |
233 |
61 |
14445 |
◊ |
G |
-x,-x+y,-z-1/3 |
6_554 |
233 |
60 |
14404 |
2185.7 |
-15.4 |
0.424 |
40 |
15 |
0 |
0.467 |
5 |
|
H |
229 |
60 |
14302 |
◊ |
H |
-x,-x+y,-z-1/3 |
6_554 |
228 |
60 |
14302 |
2140.5 |
-13.8 |
0.596 |
38 |
14 |
0 |
0.467 |
Average: |
2203.2 |
-15.5 |
0.442 |
39 |
16 |
0 |
0.467 |
2 |
6 |
|
C |
179 |
42 |
14506 |
◊ |
B |
x,y,z |
1_555 |
177 |
41 |
14590 |
1669.1 |
-24.0 |
0.035 |
16 |
0 |
0 |
0.503 |
7 |
|
H |
179 |
43 |
14302 |
◊ |
G |
-x,-x+y,-z-1/3 |
6_554 |
173 |
41 |
14404 |
1669.0 |
-24.8 |
0.037 |
19 |
0 |
0 |
0.503 |
8 |
|
E |
180 |
41 |
14488 |
◊ |
A |
x,y,z |
1_555 |
174 |
41 |
14566 |
1661.0 |
-24.7 |
0.027 |
16 |
0 |
0 |
0.503 |
9 |
|
I |
175 |
42 |
14445 |
◊ |
I |
-x,-x+y,-z-1/3 |
6_554 |
173 |
41 |
14445 |
1659.4 |
-24.6 |
0.026 |
14 |
0 |
0 |
0.503 |
10 |
|
F |
177 |
42 |
14388 |
◊ |
D |
x,y,z |
1_555 |
181 |
42 |
14477 |
1654.7 |
-24.4 |
0.040 |
16 |
0 |
0 |
0.503 |
Average: |
1662.6 |
-24.5 |
0.033 |
16 |
0 |
0 |
0.503 |
3 |
11 |
|
D |
149 |
41 |
14477 |
◊ |
A |
x,y,z |
1_555 |
128 |
29 |
14566 |
1264.8 |
-11.7 |
0.252 |
18 |
9 |
0 |
0.567 |
12 |
|
F |
127 |
29 |
14388 |
◊ |
E |
x,y,z |
1_555 |
146 |
41 |
14488 |
1262.0 |
-12.0 |
0.262 |
18 |
9 |
0 |
0.567 |
13 |
|
E |
130 |
29 |
14488 |
◊ |
B |
x,y,z |
1_555 |
145 |
41 |
14590 |
1259.5 |
-12.3 |
0.233 |
18 |
9 |
0 |
0.567 |
14 |
|
C |
131 |
29 |
14506 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
14566 |
1258.9 |
-11.6 |
0.221 |
18 |
9 |
0 |
0.567 |
15 |
|
F |
143 |
41 |
14388 |
◊ |
B |
x,y,z |
1_555 |
126 |
29 |
14590 |
1242.8 |
-11.9 |
0.249 |
18 |
9 |
0 |
0.567 |
16 |
|
I |
149 |
41 |
14445 |
◊ |
G |
x,y,z |
1_555 |
129 |
29 |
14404 |
1242.5 |
-10.9 |
0.268 |
18 |
9 |
0 |
0.567 |
17 |
|
D |
129 |
29 |
14477 |
◊ |
C |
x,y,z |
1_555 |
143 |
41 |
14506 |
1241.9 |
-12.5 |
0.200 |
18 |
9 |
0 |
0.567 |
18 |
|
H |
121 |
29 |
14302 |
◊ |
G |
x,y,z |
1_555 |
147 |
41 |
14404 |
1241.4 |
-11.8 |
0.266 |
18 |
9 |
0 |
0.567 |
19 |
|
I |
125 |
28 |
14445 |
◊ |
H |
x,y,z |
1_555 |
146 |
40 |
14302 |
1235.6 |
-12.1 |
0.272 |
18 |
9 |
0 |
0.567 |
Average: |
1249.9 |
-11.9 |
0.247 |
18 |
9 |
0 |
0.567 |
4 |
20 |
|
I |
63 |
19 |
14445 |
◊ |
I |
y,x,-z |
4_555 |
63 |
19 |
14445 |
590.8 |
0.1 |
0.799 |
4 |
6 |
0 |
0.000 |
21 |
|
F |
56 |
18 |
14388 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
55 |
16 |
14477 |
518.3 |
1.5 |
0.869 |
5 |
4 |
0 |
0.000 |
Average: |
554.6 |
0.8 |
0.834 |
5 |
5 |
0 |
0.000 |
5 |
22 |
|
[2NE]G:301 |
45 |
1 |
1015 |
f |
G |
x,y,z |
1_555 |
84 |
31 |
14404 |
565.4 |
-9.3 |
0.715 |
11 |
0 |
0 |
0.475 |
23 |
|
[2NE]A:301 |
43 |
1 |
1020 |
f |
A |
x,y,z |
1_555 |
86 |
33 |
14566 |
558.6 |
-9.7 |
0.659 |
12 |
0 |
0 |
0.475 |
24 |
|
[2NE]B:301 |
43 |
1 |
1015 |
f |
B |
x,y,z |
1_555 |
84 |
28 |
14590 |
556.5 |
-9.7 |
0.673 |
13 |
0 |
0 |
0.475 |
25 |
|
[2NE]I:301 |
46 |
1 |
1008 |
f |
I |
x,y,z |
1_555 |
83 |
32 |
14445 |
556.1 |
-10.1 |
0.693 |
13 |
0 |
0 |
0.475 |
26 |
|
[2NE]E:301 |
45 |
1 |
1003 |
f |
E |
x,y,z |
1_555 |
83 |
32 |
14488 |
554.5 |
-10.0 |
0.692 |
12 |
0 |
0 |
0.475 |
27 |
|
[2NE]F:301 |
47 |
1 |
1011 |
f |
F |
x,y,z |
1_555 |
84 |
31 |
14388 |
554.4 |
-9.9 |
0.706 |
14 |
0 |
0 |
0.475 |
28 |
|
[2NE]H:301 |
43 |
1 |
1014 |
cf |
H |
x,y,z |
1_555 |
79 |
31 |
14302 |
554.1 |
-9.4 |
0.715 |
11 |
0 |
0 |
0.475 |
29 |
|
[2NE]C:301 |
44 |
1 |
1000 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
14506 |
547.3 |
-9.8 |
0.673 |
11 |
0 |
0 |
0.475 |
30 |
|
[2NE]D:301 |
44 |
1 |
999 |
f |
D |
x,y,z |
1_555 |
83 |
31 |
14477 |
545.9 |
-10.0 |
0.678 |
12 |
0 |
0 |
0.475 |
Average: |
554.8 |
-9.8 |
0.689 |
12 |
0 |
0 |
0.475 |
6 |
31 |
|
F |
30 |
12 |
14388 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
37 |
14 |
14506 |
268.1 |
0.4 |
0.751 |
3 |
0 |
0 |
0.000 |
32 |
|
I |
30 |
12 |
14445 |
◊ |
H |
y,x,-z |
4_555 |
33 |
14 |
14302 |
264.0 |
0.6 |
0.787 |
3 |
0 |
0 |
0.000 |
33 |
|
E |
34 |
13 |
14488 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
30 |
12 |
14477 |
260.0 |
0.4 |
0.761 |
3 |
0 |
0 |
0.000 |
Average: |
264.1 |
0.5 |
0.766 |
3 |
0 |
0 |
0.000 |
7 |
34 |
|
A |
35 |
14 |
14566 |
◊ |
C |
y,x-1,-z |
4_545 |
35 |
13 |
14506 |
258.0 |
1.2 |
0.794 |
3 |
5 |
0 |
0.006 |
8 |
35 |
|
I |
27 |
8 |
14445 |
◊ |
E |
x-1,y,z |
1_455 |
32 |
11 |
14488 |
247.2 |
1.4 |
0.842 |
2 |
2 |
0 |
0.000 |
9 |
36 |
|
[2NE]H:301 |
28 |
1 |
1014 |
c |
H |
-x,-x+y,-z-1/3 |
6_554 |
16 |
5 |
14302 |
176.4 |
-3.4 |
0.775 |
1 |
0 |
0 |
0.105 |
37 |
|
[2NE]F:301 |
29 |
1 |
1011 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14566 |
175.5 |
-3.1 |
0.677 |
2 |
0 |
0 |
0.105 |
38 |
|
[2NE]B:301 |
31 |
1 |
1015 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
14477 |
174.5 |
-3.3 |
0.704 |
2 |
0 |
0 |
0.105 |
39 |
|
[2NE]C:301 |
28 |
1 |
1000 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
14488 |
169.1 |
-3.4 |
0.651 |
1 |
0 |
0 |
0.105 |
40 |
|
[2NE]G:301 |
28 |
1 |
1015 |
◊ |
I |
-x,-x+y,-z-1/3 |
6_554 |
12 |
5 |
14445 |
167.9 |
-3.3 |
0.692 |
1 |
0 |
0 |
0.105 |
41 |
|
[2NE]D:301 |
28 |
1 |
999 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14590 |
164.0 |
-2.9 |
0.723 |
2 |
0 |
0 |
0.105 |
42 |
|
[2NE]A:301 |
27 |
1 |
1020 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
14388 |
163.1 |
-3.9 |
0.582 |
1 |
0 |
0 |
0.105 |
43 |
|
[2NE]I:301 |
28 |
1 |
1008 |
◊ |
G |
-x,-x+y,-z-1/3 |
6_554 |
12 |
5 |
14404 |
162.9 |
-3.4 |
0.648 |
1 |
0 |
0 |
0.105 |
44 |
|
[2NE]E:301 |
27 |
1 |
1003 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14506 |
162.1 |
-3.5 |
0.659 |
1 |
0 |
0 |
0.105 |
Average: |
168.4 |
-3.4 |
0.679 |
1 |
0 |
0 |
0.105 |
10 |
45 |
|
D |
21 |
8 |
14477 |
◊ |
B |
y+1,x-1,-z |
4_645 |
19 |
6 |
14590 |
153.5 |
0.2 |
0.702 |
1 |
0 |
0 |
0.000 |
11 |
46 |
|
H |
19 |
8 |
14302 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
14388 |
137.8 |
-0.3 |
0.625 |
1 |
4 |
0 |
0.000 |
12 |
47 |
|
H |
10 |
3 |
14302 |
◊ |
C |
y,x-1,-z |
4_545 |
15 |
5 |
14506 |
111.2 |
-1.6 |
0.381 |
0 |
0 |
0 |
0.000 |
13 |
48 |
|
B |
12 |
5 |
14590 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
6 |
14404 |
93.7 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
14 |
49 |
|
H |
11 |
4 |
14302 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
14566 |
81.2 |
0.4 |
0.704 |
1 |
0 |
0 |
0.000 |
15 |
50 |
|
[BCT]A:302 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
14566 |
76.8 |
0.6 |
0.580 |
6 |
0 |
0 |
0.031 |
16 |
51 |
|
[BCT]C:302 |
4 |
1 |
162 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
14506 |
76.8 |
0.6 |
0.581 |
6 |
0 |
0 |
0.060 |
52 |
|
[BCT]I:302 |
4 |
1 |
162 |
f |
I |
x,y,z |
1_555 |
17 |
11 |
14445 |
76.0 |
0.7 |
0.774 |
6 |
0 |
0 |
0.060 |
Average: |
76.4 |
0.6 |
0.678 |
6 |
0 |
0 |
0.060 |
17 |
53 |
|
[BCT]E:302 |
4 |
1 |
162 |
f |
E |
x,y,z |
1_555 |
17 |
11 |
14488 |
76.7 |
0.6 |
0.594 |
5 |
0 |
0 |
0.024 |
18 |
54 |
|
[BCT]G:302 |
4 |
1 |
162 |
f |
G |
x,y,z |
1_555 |
17 |
11 |
14404 |
76.7 |
0.5 |
0.584 |
5 |
0 |
0 |
0.025 |
19 |
55 |
|
[BCT]B:302 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
14590 |
76.6 |
0.6 |
0.588 |
5 |
0 |
0 |
0.025 |
20 |
56 |
|
[BCT]D:302 |
4 |
1 |
162 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
14477 |
76.5 |
0.7 |
0.593 |
6 |
0 |
0 |
0.030 |
21 |
57 |
|
[BCT]F:302 |
4 |
1 |
162 |
f |
F |
x,y,z |
1_555 |
17 |
11 |
14388 |
74.7 |
0.6 |
0.590 |
5 |
0 |
0 |
0.025 |
22 |
58 |
|
[MLI]I:303 |
6 |
1 |
226 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
14445 |
72.7 |
1.3 |
0.842 |
1 |
0 |
0 |
0.000 |
23 |
59 |
|
[BCT]H:302 |
4 |
1 |
161 |
f |
H |
x,y,z |
1_555 |
16 |
11 |
14302 |
71.1 |
0.5 |
0.600 |
5 |
0 |
0 |
0.046 |
24 |
60 |
|
H |
11 |
5 |
14302 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
2 |
14488 |
70.9 |
-1.0 |
0.474 |
0 |
0 |
0 |
0.000 |
25 |
61 |
|
I |
8 |
2 |
14445 |
◊ |
A |
y,x,-z |
4_555 |
7 |
3 |
14566 |
70.7 |
0.1 |
0.679 |
0 |
7 |
0 |
0.000 |
26 |
62 |
|
D |
8 |
3 |
14477 |
◊ |
G |
y,x-1,-z |
4_545 |
5 |
2 |
14404 |
66.8 |
-0.5 |
0.509 |
1 |
0 |
0 |
0.000 |
27 |
63 |
|
[MLI]I:303 |
5 |
1 |
226 |
◊ |
H |
x,y,z |
1_555 |
12 |
7 |
14302 |
66.4 |
1.3 |
0.862 |
0 |
0 |
0 |
0.000 |
28 |
64 |
|
[MLI]C:303 |
6 |
1 |
226 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
14477 |
65.2 |
1.1 |
0.850 |
0 |
0 |
0 |
0.000 |
29 |
65 |
|
[MLI]C:303 |
6 |
1 |
226 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
14506 |
62.4 |
1.3 |
0.839 |
0 |
0 |
0 |
0.000 |
30 |
66 |
|
[MLI]C:303 |
5 |
1 |
226 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
14566 |
61.5 |
1.5 |
0.820 |
0 |
0 |
0 |
0.000 |
31 |
67 |
|
[2NE]H:301 |
7 |
1 |
1014 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
14388 |
52.2 |
-2.7 |
0.404 |
0 |
0 |
0 |
0.000 |
32 |
68 |
|
[BCT]H:302 |
4 |
1 |
161 |
f |
[2NE]H:301 |
x,y,z |
1_555 |
6 |
1 |
1014 |
48.4 |
0.3 |
0.709 |
2 |
0 |
0 |
0.016 |
33 |
69 |
|
[BCT]G:302 |
4 |
1 |
162 |
f |
[2NE]G:301 |
x,y,z |
1_555 |
5 |
1 |
1015 |
45.7 |
0.1 |
0.665 |
1 |
0 |
0 |
0.006 |
34 |
70 |
|
[BCT]F:302 |
4 |
1 |
162 |
f |
[2NE]F:301 |
x,y,z |
1_555 |
8 |
1 |
1011 |
45.2 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.009 |
35 |
71 |
|
[MLI]I:303 |
5 |
1 |
226 |
◊ |
G |
x,y,z |
1_555 |
11 |
6 |
14404 |
45.0 |
1.2 |
0.840 |
0 |
0 |
0 |
0.000 |
36 |
72 |
|
[BCT]I:302 |
4 |
1 |
162 |
f |
[2NE]I:301 |
x,y,z |
1_555 |
7 |
1 |
1008 |
44.0 |
-0.1 |
0.554 |
2 |
0 |
0 |
0.030 |
37 |
73 |
|
[BCT]A:302 |
4 |
1 |
162 |
f |
[2NE]A:301 |
x,y,z |
1_555 |
5 |
1 |
1020 |
42.6 |
-0.1 |
0.653 |
1 |
0 |
0 |
0.010 |
74 |
|
[BCT]D:302 |
4 |
1 |
162 |
f |
[2NE]D:301 |
x,y,z |
1_555 |
5 |
1 |
999 |
42.0 |
-0.1 |
0.527 |
1 |
0 |
0 |
0.010 |
Average: |
42.3 |
-0.1 |
0.590 |
1 |
0 |
0 |
0.010 |
38 |
75 |
|
[BCT]E:302 |
3 |
1 |
162 |
f |
[2NE]E:301 |
x,y,z |
1_555 |
5 |
1 |
1003 |
42.4 |
-0.0 |
0.344 |
1 |
0 |
0 |
0.007 |
39 |
76 |
|
[BCT]B:302 |
4 |
1 |
162 |
f |
[2NE]B:301 |
x,y,z |
1_555 |
6 |
1 |
1015 |
42.3 |
-0.1 |
0.674 |
1 |
0 |
0 |
0.008 |
40 |
77 |
|
[BCT]C:302 |
4 |
1 |
162 |
f |
[2NE]C:301 |
x,y,z |
1_555 |
4 |
1 |
1000 |
42.1 |
0.0 |
0.525 |
1 |
0 |
0 |
0.007 |
41 |
78 |
|
G |
4 |
1 |
14404 |
◊ |
G |
x-y,-y,-z-2/3 |
5_554 |
4 |
1 |
14404 |
37.9 |
-0.7 |
0.350 |
0 |
0 |
0 |
0.000 |
42 |
79 |
|
[2NE]A:301 |
3 |
1 |
1020 |
◊ |
C |
y,x-1,-z |
4_545 |
4 |
2 |
14506 |
28.8 |
-1.8 |
0.318 |
0 |
0 |
0 |
0.013 |
43 |
80 |
|
B |
7 |
2 |
14590 |
◊ |
[2NE]G:301 |
x,y-1,z |
1_545 |
3 |
1 |
1015 |
24.8 |
-1.3 |
0.400 |
0 |
0 |
0 |
0.000 |
44 |
81 |
|
E |
2 |
1 |
14488 |
◊ |
G |
-x+1,-x+y,-z-1/3 |
6_654 |
2 |
1 |
14404 |
22.9 |
-0.4 |
0.341 |
0 |
0 |
0 |
0.000 |
45 |
82 |
|
[2NE]I:301 |
1 |
1 |
1008 |
◊ |
[2NE]I:301 |
y,x,-z |
4_555 |
1 |
1 |
1008 |
4.1 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
46 |
83 |
|
A |
1 |
1 |
14566 |
◊ |
[2NE]C:301 |
y,x-1,-z |
4_545 |
1 |
1 |
1000 |
2.1 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
47 |
84 |
|
B |
1 |
1 |
14590 |
◊ |
I |
-x,-x+y-1,-z-1/3 |
6_544 |
1 |
1 |
14445 |
0.2 |
-0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
|