## |
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 |
|
K |
188 |
52 |
12266 |
◊ |
F |
x,y,z |
1_555 |
188 |
54 |
12121 |
1803.6 |
-28.0 |
0.089 |
16 |
0 |
0 |
0.608 |
2 |
|
J |
180 |
51 |
12024 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
188 |
53 |
12197 |
1795.7 |
-27.9 |
0.061 |
18 |
0 |
0 |
0.608 |
3 |
|
I |
185 |
52 |
12108 |
◊ |
B |
x,y,z |
1_555 |
183 |
52 |
12231 |
1794.1 |
-27.4 |
0.067 |
17 |
0 |
0 |
0.608 |
4 |
|
E |
182 |
53 |
12098 |
◊ |
D |
x,y,z |
1_555 |
184 |
52 |
12131 |
1791.1 |
-30.4 |
0.027 |
17 |
0 |
0 |
0.608 |
5 |
|
H |
180 |
52 |
12234 |
◊ |
A |
x,y,z |
1_555 |
185 |
53 |
12201 |
1783.2 |
-27.6 |
0.040 |
17 |
0 |
0 |
0.608 |
6 |
|
L |
175 |
50 |
12196 |
◊ |
G |
-y+1,x-y,z-1/3 |
2_654 |
178 |
51 |
12273 |
1756.5 |
-27.2 |
0.075 |
17 |
0 |
0 |
0.608 |
Average: |
1787.4 |
-28.1 |
0.060 |
17 |
0 |
0 |
0.608 |
2 |
7 |
|
I |
152 |
40 |
12108 |
◊ |
H |
x,y,z |
1_555 |
145 |
40 |
12234 |
1430.4 |
-17.8 |
0.222 |
24 |
3 |
0 |
0.572 |
8 |
|
K |
157 |
40 |
12266 |
◊ |
J |
x,y,z |
1_555 |
154 |
39 |
12024 |
1428.0 |
-20.1 |
0.251 |
23 |
4 |
0 |
0.572 |
9 |
|
B |
156 |
40 |
12231 |
◊ |
A |
x,y,z |
1_555 |
157 |
40 |
12201 |
1425.5 |
-19.5 |
0.123 |
25 |
4 |
0 |
0.572 |
10 |
|
F |
154 |
40 |
12121 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
154 |
40 |
12197 |
1419.3 |
-19.5 |
0.128 |
24 |
4 |
0 |
0.572 |
11 |
|
L |
154 |
40 |
12196 |
◊ |
D |
x,y,z |
1_555 |
158 |
41 |
12131 |
1412.9 |
-18.8 |
0.233 |
22 |
4 |
0 |
0.572 |
12 |
|
E |
159 |
41 |
12098 |
◊ |
G |
-y+1,x-y,z-1/3 |
2_654 |
155 |
41 |
12273 |
1407.6 |
-20.3 |
0.147 |
26 |
4 |
0 |
0.572 |
Average: |
1420.6 |
-19.3 |
0.184 |
24 |
4 |
0 |
0.572 |
3 |
13 |
|
H |
120 |
26 |
12234 |
◊ |
B |
x,y,z |
1_555 |
127 |
25 |
12231 |
1285.1 |
-10.9 |
0.411 |
26 |
10 |
0 |
0.505 |
14 |
|
I |
125 |
27 |
12108 |
◊ |
A |
x,y,z |
1_555 |
129 |
26 |
12201 |
1273.1 |
-11.8 |
0.416 |
20 |
7 |
0 |
0.505 |
15 |
|
D |
122 |
25 |
12131 |
◊ |
G |
-y+1,x-y,z-1/3 |
2_654 |
120 |
25 |
12273 |
1261.2 |
-11.4 |
0.410 |
22 |
8 |
0 |
0.505 |
16 |
|
J |
124 |
24 |
12024 |
◊ |
F |
x,y,z |
1_555 |
125 |
26 |
12121 |
1257.2 |
-12.6 |
0.404 |
21 |
6 |
0 |
0.505 |
17 |
|
K |
126 |
25 |
12266 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
119 |
24 |
12197 |
1225.3 |
-14.1 |
0.305 |
16 |
3 |
0 |
0.505 |
18 |
|
L |
124 |
28 |
12196 |
◊ |
E |
x,y,z |
1_555 |
120 |
27 |
12098 |
1189.1 |
-14.8 |
0.286 |
17 |
5 |
0 |
0.505 |
Average: |
1248.5 |
-12.6 |
0.372 |
20 |
7 |
0 |
0.505 |
4 |
19 |
|
[NDP]F:301 |
47 |
1 |
873 |
cf |
F |
x,y,z |
1_555 |
100 |
34 |
12121 |
623.2 |
-3.4 |
0.656 |
20 |
0 |
0 |
0.503 |
20 |
|
[NDP]E:301 |
47 |
1 |
858 |
f |
E |
x,y,z |
1_555 |
103 |
34 |
12098 |
620.9 |
-3.3 |
0.652 |
17 |
0 |
0 |
0.503 |
21 |
|
[NDP]L:301 |
48 |
1 |
850 |
cf |
L |
x,y,z |
1_555 |
99 |
33 |
12196 |
618.8 |
-3.3 |
0.678 |
12 |
0 |
0 |
0.503 |
22 |
|
[NDP]K:301 |
47 |
1 |
888 |
cf |
K |
x,y,z |
1_555 |
91 |
32 |
12266 |
617.6 |
-3.3 |
0.663 |
21 |
0 |
0 |
0.503 |
23 |
|
[NDP]C:301 |
46 |
1 |
868 |
f |
C |
x,y,z |
1_555 |
99 |
33 |
12197 |
613.9 |
-3.7 |
0.629 |
23 |
0 |
0 |
0.503 |
24 |
|
[NDP]B:301 |
47 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
96 |
32 |
12231 |
613.3 |
-2.7 |
0.650 |
25 |
0 |
0 |
0.503 |
25 |
|
[NDP]A:301 |
48 |
1 |
865 |
f |
A |
x,y,z |
1_555 |
99 |
33 |
12201 |
612.1 |
-3.6 |
0.654 |
24 |
0 |
0 |
0.503 |
26 |
|
[NDP]H:301 |
46 |
1 |
858 |
cf |
H |
x,y,z |
1_555 |
98 |
32 |
12234 |
610.2 |
-3.2 |
0.651 |
19 |
0 |
0 |
0.503 |
27 |
|
[NDP]J:301 |
48 |
1 |
868 |
cf |
J |
x,y,z |
1_555 |
94 |
34 |
12024 |
610.0 |
-4.0 |
0.665 |
22 |
0 |
0 |
0.503 |
28 |
|
[NDP]D:301 |
48 |
1 |
857 |
f |
D |
x,y,z |
1_555 |
94 |
33 |
12131 |
609.2 |
-2.8 |
0.680 |
18 |
0 |
0 |
0.503 |
29 |
|
[NDP]G:301 |
48 |
1 |
856 |
cf |
G |
x,y,z |
1_555 |
93 |
32 |
12273 |
605.8 |
-3.8 |
0.653 |
18 |
0 |
0 |
0.503 |
30 |
|
[NDP]I:301 |
47 |
1 |
851 |
f |
I |
x,y,z |
1_555 |
98 |
33 |
12108 |
603.1 |
-2.8 |
0.667 |
21 |
0 |
0 |
0.503 |
Average: |
613.2 |
-3.3 |
0.658 |
20 |
0 |
0 |
0.503 |
5 |
31 |
|
I |
47 |
15 |
12108 |
◊ |
E |
x,y-1,z |
1_545 |
50 |
15 |
12098 |
460.3 |
-6.3 |
0.330 |
4 |
1 |
0 |
0.000 |
6 |
32 |
|
F |
54 |
15 |
12121 |
◊ |
C |
x,y,z |
1_555 |
49 |
13 |
12197 |
437.5 |
-2.2 |
0.670 |
2 |
0 |
0 |
0.000 |
33 |
|
B |
48 |
13 |
12231 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
48 |
14 |
12201 |
431.0 |
-2.1 |
0.648 |
0 |
0 |
0 |
0.000 |
34 |
|
G |
50 |
15 |
12273 |
◊ |
E |
x,y,z |
1_555 |
48 |
14 |
12098 |
426.7 |
-3.0 |
0.619 |
1 |
0 |
0 |
0.000 |
Average: |
431.8 |
-2.4 |
0.645 |
1 |
0 |
0 |
0.000 |
7 |
35 |
|
D |
37 |
13 |
12131 |
◊ |
A |
x,y,z |
1_555 |
41 |
15 |
12201 |
300.0 |
-2.4 |
0.580 |
2 |
0 |
0 |
0.000 |
8 |
36 |
|
C |
37 |
13 |
12197 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
12201 |
278.9 |
-2.7 |
0.433 |
1 |
0 |
0 |
0.000 |
9 |
37 |
|
F |
19 |
6 |
12121 |
◊ |
L |
x-1,y,z |
1_455 |
18 |
6 |
12196 |
154.7 |
0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
10 |
38 |
|
[8X3]D:302 |
7 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
12131 |
147.2 |
-0.9 |
0.560 |
4 |
0 |
0 |
0.056 |
11 |
39 |
|
[8X3]G:302 |
7 |
1 |
237 |
f |
G |
x,y,z |
1_555 |
25 |
14 |
12273 |
145.9 |
-0.2 |
0.647 |
4 |
0 |
0 |
0.040 |
40 |
|
[8X3]B:302 |
7 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
12231 |
144.0 |
-0.2 |
0.619 |
4 |
0 |
0 |
0.040 |
Average: |
144.9 |
-0.2 |
0.633 |
4 |
0 |
0 |
0.040 |
12 |
41 |
|
[8X3]F:302 |
7 |
1 |
234 |
f |
F |
x,y,z |
1_555 |
30 |
15 |
12121 |
145.0 |
-0.6 |
0.573 |
4 |
0 |
0 |
0.044 |
13 |
42 |
|
[8X3]E:302 |
7 |
1 |
237 |
f |
E |
x,y,z |
1_555 |
28 |
14 |
12098 |
144.7 |
0.0 |
0.667 |
4 |
0 |
0 |
0.039 |
14 |
43 |
|
[8X3]C:302 |
7 |
1 |
237 |
f |
C |
x,y,z |
1_555 |
26 |
15 |
12197 |
143.6 |
-0.2 |
0.577 |
4 |
0 |
0 |
0.038 |
15 |
44 |
|
[8X3]I:302 |
7 |
1 |
238 |
f |
I |
x,y,z |
1_555 |
27 |
13 |
12108 |
142.2 |
-0.5 |
0.639 |
4 |
0 |
0 |
0.044 |
16 |
45 |
|
[8X3]K:302 |
7 |
1 |
236 |
f |
K |
x,y,z |
1_555 |
27 |
13 |
12266 |
142.0 |
0.2 |
0.638 |
4 |
0 |
0 |
0.029 |
17 |
46 |
|
[8X3]A:302 |
7 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
12201 |
140.0 |
-0.2 |
0.601 |
5 |
0 |
0 |
0.045 |
18 |
47 |
|
[8X3]L:302 |
7 |
1 |
231 |
f |
L |
x,y,z |
1_555 |
22 |
10 |
12196 |
138.6 |
0.3 |
0.637 |
2 |
0 |
0 |
0.013 |
19 |
48 |
|
[8X3]H:302 |
7 |
1 |
234 |
◊ |
H |
x,y,z |
1_555 |
21 |
11 |
12234 |
135.4 |
0.5 |
0.655 |
3 |
0 |
0 |
0.015 |
20 |
49 |
|
[8X3]J:302 |
7 |
1 |
231 |
f |
J |
x,y,z |
1_555 |
29 |
13 |
12024 |
133.0 |
0.1 |
0.651 |
2 |
0 |
0 |
0.015 |
21 |
50 |
|
F |
12 |
7 |
12121 |
◊ |
H |
-y-1,x-y-1,z-1/3 |
2_444 |
14 |
7 |
12234 |
90.3 |
-0.0 |
0.659 |
1 |
0 |
0 |
0.000 |
22 |
51 |
|
B |
12 |
4 |
12231 |
◊ |
I |
-y,x-y-1,z-1/3 |
2_544 |
11 |
3 |
12108 |
89.7 |
-0.8 |
0.561 |
1 |
0 |
0 |
0.000 |
52 |
|
L |
7 |
2 |
12196 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
12273 |
77.4 |
0.5 |
0.799 |
0 |
0 |
0 |
0.000 |
Average: |
83.5 |
-0.1 |
0.680 |
1 |
0 |
0 |
0.000 |
23 |
53 |
|
K |
9 |
3 |
12266 |
◊ |
F |
-y,x-y,z-1/3 |
2_554 |
12 |
3 |
12121 |
89.6 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
24 |
54 |
|
J |
7 |
2 |
12024 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
12197 |
82.0 |
1.9 |
0.878 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
8 |
2 |
12131 |
◊ |
E |
-y+1,x-y,z-1/3 |
2_654 |
10 |
3 |
12098 |
81.7 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
56 |
|
H |
9 |
2 |
12234 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
9 |
3 |
12201 |
65.1 |
-0.2 |
0.638 |
0 |
0 |
0 |
0.000 |
Average: |
76.3 |
0.4 |
0.710 |
0 |
0 |
0 |
0.000 |
25 |
57 |
|
J |
14 |
4 |
12024 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
12131 |
82.0 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.000 |
26 |
58 |
|
[8X3]J:302 |
6 |
1 |
231 |
f |
[NDP]J:301 |
x,y,z |
1_555 |
9 |
1 |
868 |
47.3 |
-0.3 |
0.508 |
1 |
0 |
0 |
0.014 |
27 |
59 |
|
[8X3]C:302 |
4 |
1 |
237 |
f |
[NDP]C:301 |
x,y,z |
1_555 |
5 |
1 |
868 |
47.0 |
-0.2 |
0.485 |
1 |
0 |
0 |
0.011 |
28 |
60 |
|
[8X3]K:302 |
4 |
1 |
236 |
f |
[NDP]K:301 |
x,y,z |
1_555 |
8 |
1 |
888 |
45.2 |
0.5 |
0.562 |
0 |
0 |
0 |
0.000 |
29 |
61 |
|
[8X3]H:302 |
4 |
1 |
234 |
◊ |
[NDP]H:301 |
x,y,z |
1_555 |
8 |
1 |
858 |
44.2 |
0.5 |
0.572 |
0 |
0 |
0 |
0.000 |
30 |
62 |
|
[8X3]E:302 |
3 |
1 |
237 |
f |
[NDP]E:301 |
x,y,z |
1_555 |
5 |
1 |
858 |
43.6 |
0.9 |
0.600 |
0 |
0 |
0 |
0.000 |
31 |
63 |
|
[8X3]F:302 |
4 |
1 |
234 |
f |
[NDP]F:301 |
x,y,z |
1_555 |
5 |
1 |
873 |
43.0 |
0.6 |
0.545 |
0 |
0 |
0 |
0.000 |
32 |
64 |
|
[8X3]D:302 |
4 |
1 |
237 |
f |
[NDP]D:301 |
x,y,z |
1_555 |
5 |
1 |
857 |
43.0 |
0.7 |
0.579 |
0 |
0 |
0 |
0.000 |
33 |
65 |
|
[8X3]I:302 |
4 |
1 |
238 |
f |
[NDP]I:301 |
x,y,z |
1_555 |
5 |
1 |
851 |
42.1 |
0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
34 |
66 |
|
[8X3]A:302 |
4 |
1 |
237 |
f |
[NDP]A:301 |
x,y,z |
1_555 |
7 |
1 |
865 |
41.6 |
0.5 |
0.585 |
0 |
0 |
0 |
0.000 |
35 |
67 |
|
[8X3]B:302 |
4 |
1 |
237 |
f |
[NDP]B:301 |
x,y,z |
1_555 |
6 |
1 |
850 |
41.3 |
0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
68 |
|
[8X3]G:302 |
4 |
1 |
237 |
f |
[NDP]G:301 |
x,y,z |
1_555 |
6 |
1 |
856 |
40.7 |
0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
Average: |
41.0 |
0.3 |
0.549 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
[8X3]L:302 |
5 |
1 |
231 |
f |
[NDP]L:301 |
x,y,z |
1_555 |
3 |
1 |
850 |
40.1 |
0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
H |
1 |
1 |
12234 |
◊ |
G |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
12273 |
26.8 |
-0.9 |
0.076 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
[8X3]A:302 |
4 |
1 |
237 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12108 |
25.5 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.011 |
39 |
72 |
|
[8X3]J:302 |
2 |
1 |
231 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12121 |
23.3 |
-0.6 |
0.273 |
0 |
0 |
0 |
0.011 |
40 |
73 |
|
[8X3]H:302 |
5 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12231 |
21.8 |
-1.1 |
0.343 |
0 |
0 |
0 |
0.021 |
41 |
74 |
|
[8X3]B:302 |
3 |
1 |
237 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12234 |
21.7 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.009 |
75 |
|
D |
2 |
1 |
12131 |
◊ |
[8X3]G:302 |
-y+1,x-y,z-1/3 |
2_654 |
3 |
1 |
237 |
19.5 |
-0.3 |
0.337 |
0 |
0 |
0 |
0.009 |
Average: |
20.6 |
-0.4 |
0.323 |
0 |
0 |
0 |
0.009 |
42 |
76 |
|
[8X3]E:302 |
3 |
1 |
237 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
12196 |
21.1 |
-1.3 |
0.343 |
0 |
0 |
0 |
0.029 |
43 |
77 |
|
[8X3]F:302 |
5 |
1 |
234 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
12024 |
19.3 |
-0.3 |
0.338 |
0 |
0 |
0 |
0.005 |
44 |
78 |
|
[8X3]D:302 |
3 |
1 |
237 |
◊ |
G |
-y+1,x-y,z-1/3 |
2_654 |
2 |
1 |
12273 |
19.1 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.002 |
45 |
79 |
|
[8X3]K:302 |
3 |
1 |
236 |
◊ |
C |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
12197 |
18.5 |
-0.9 |
0.282 |
0 |
0 |
0 |
0.018 |
46 |
80 |
|
K |
2 |
1 |
12266 |
◊ |
[8X3]C:302 |
-y,x-y,z-1/3 |
2_554 |
5 |
1 |
237 |
17.0 |
-0.5 |
0.344 |
0 |
0 |
0 |
0.009 |
47 |
81 |
|
F |
2 |
2 |
12121 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
12231 |
16.4 |
0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
48 |
82 |
|
[8X3]L:302 |
2 |
1 |
231 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12098 |
16.3 |
-0.6 |
0.327 |
0 |
0 |
0 |
0.013 |
49 |
83 |
|
[8X3]I:302 |
2 |
1 |
238 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12201 |
14.3 |
-0.0 |
0.405 |
0 |
0 |
0 |
0.000 |
50 |
84 |
|
K |
1 |
1 |
12266 |
◊ |
J |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
12024 |
10.3 |
0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
85 |
|
H |
2 |
1 |
12234 |
◊ |
I |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
12108 |
3.6 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
51 |
86 |
|
K |
1 |
1 |
12266 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
12231 |
8.6 |
-0.3 |
0.247 |
0 |
0 |
0 |
0.000 |
52 |
87 |
|
L |
1 |
1 |
12196 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
12197 |
4.4 |
-0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
|