## |
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 |
129 |
36 |
16050 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
125 |
34 |
16039 |
1005.8 |
-13.3 |
0.086 |
12 |
6 |
0 |
0.402 |
2 |
2 |
|
F |
96 |
24 |
16216 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
98 |
27 |
16163 |
844.5 |
-11.3 |
0.092 |
10 |
6 |
0 |
0.381 |
3 |
|
G |
105 |
26 |
15958 |
◊ |
J |
-x-2,y-1/2,-z-1 |
2_344 |
93 |
26 |
16220 |
821.5 |
-10.8 |
0.117 |
10 |
2 |
0 |
0.381 |
4 |
|
D |
95 |
24 |
16040 |
◊ |
C |
x,y,z |
1_555 |
93 |
23 |
16033 |
793.6 |
-11.3 |
0.092 |
9 |
6 |
0 |
0.381 |
5 |
|
I |
91 |
28 |
16543 |
◊ |
H |
x,y,z |
1_555 |
88 |
25 |
16196 |
749.6 |
-12.5 |
0.039 |
8 |
2 |
0 |
0.381 |
Average: |
802.3 |
-11.5 |
0.085 |
9 |
4 |
0 |
0.381 |
3 |
6 |
|
E |
59 |
15 |
16050 |
◊ |
H |
x,y-1,z |
1_545 |
54 |
14 |
16196 |
510.1 |
0.7 |
0.718 |
8 |
12 |
0 |
0.000 |
7 |
|
F |
61 |
20 |
16216 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
50 |
16 |
15958 |
498.1 |
0.4 |
0.644 |
9 |
9 |
0 |
0.000 |
Average: |
504.1 |
0.5 |
0.681 |
9 |
11 |
0 |
0.000 |
4 |
8 |
|
E |
63 |
22 |
16050 |
◊ |
D |
x,y,z |
1_555 |
52 |
19 |
16040 |
478.6 |
-4.8 |
0.224 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
G |
48 |
16 |
15958 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
16 |
16216 |
374.0 |
-2.6 |
0.200 |
1 |
0 |
0 |
0.000 |
10 |
|
E |
36 |
16 |
16050 |
◊ |
H |
-x-2,y-1/2,-z |
2_345 |
31 |
11 |
16196 |
252.0 |
0.6 |
0.675 |
1 |
0 |
0 |
0.000 |
Average: |
313.0 |
-1.0 |
0.437 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
49 |
18 |
16033 |
◊ |
B |
x,y,z |
1_555 |
42 |
16 |
16163 |
343.7 |
2.3 |
0.845 |
5 |
1 |
0 |
0.000 |
12 |
|
D |
46 |
17 |
16040 |
◊ |
A |
x,y,z |
1_555 |
44 |
17 |
16039 |
306.2 |
0.9 |
0.760 |
4 |
1 |
0 |
0.000 |
Average: |
324.9 |
1.6 |
0.803 |
5 |
1 |
0 |
0.000 |
7 |
13 |
|
B |
38 |
10 |
16163 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
40 |
14 |
16163 |
339.4 |
2.3 |
0.781 |
4 |
8 |
0 |
0.000 |
8 |
14 |
|
F |
37 |
12 |
16216 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
16033 |
295.5 |
-2.1 |
0.420 |
1 |
4 |
0 |
0.000 |
9 |
15 |
|
A |
38 |
10 |
16039 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
30 |
11 |
16039 |
290.9 |
0.9 |
0.729 |
5 |
4 |
0 |
0.000 |
10 |
16 |
|
I |
30 |
6 |
16543 |
◊ |
H |
-x-2,y-1/2,-z |
2_345 |
34 |
11 |
16196 |
253.0 |
1.7 |
0.755 |
2 |
1 |
0 |
0.000 |
17 |
|
J |
23 |
6 |
16220 |
◊ |
G |
x,y,z |
1_555 |
31 |
11 |
15958 |
223.3 |
0.8 |
0.706 |
3 |
2 |
0 |
0.000 |
Average: |
238.2 |
1.2 |
0.731 |
3 |
2 |
0 |
0.000 |
11 |
18 |
|
I |
24 |
6 |
16543 |
◊ |
E |
x,y,z |
1_555 |
35 |
10 |
16050 |
247.8 |
2.4 |
0.818 |
2 |
3 |
0 |
0.000 |
19 |
|
J |
23 |
7 |
16220 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
10 |
16216 |
212.4 |
2.3 |
0.862 |
4 |
4 |
0 |
0.000 |
Average: |
230.1 |
2.4 |
0.840 |
3 |
4 |
0 |
0.000 |
12 |
20 |
|
D |
26 |
7 |
16040 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
10 |
16039 |
236.0 |
-1.4 |
0.481 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
C |
25 |
10 |
16033 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
9 |
16163 |
235.2 |
0.5 |
0.713 |
5 |
0 |
0 |
0.000 |
14 |
22 |
|
G |
34 |
12 |
15958 |
x |
G |
-x-2,y-1/2,-z-1 |
2_344 |
31 |
12 |
15958 |
231.9 |
1.0 |
0.755 |
1 |
0 |
0 |
0.000 |
23 |
|
H |
32 |
12 |
16196 |
x |
H |
-x-2,y-1/2,-z |
2_345 |
31 |
12 |
16196 |
213.0 |
0.7 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
222.4 |
0.8 |
0.691 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
C |
25 |
8 |
16033 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
6 |
16163 |
194.4 |
-0.6 |
0.559 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
I |
26 |
9 |
16543 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
8 |
16039 |
194.4 |
0.7 |
0.694 |
1 |
0 |
0 |
0.000 |
26 |
|
J |
22 |
8 |
16220 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
16163 |
170.2 |
1.2 |
0.787 |
2 |
0 |
0 |
0.000 |
Average: |
182.3 |
1.0 |
0.741 |
2 |
0 |
0 |
0.000 |
17 |
27 |
|
J |
29 |
11 |
16220 |
◊ |
I |
x,y,z |
1_555 |
23 |
11 |
16543 |
182.9 |
0.4 |
0.685 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
G |
21 |
7 |
15958 |
◊ |
H |
-x-2,y-1/2,-z-1 |
2_344 |
21 |
7 |
16196 |
178.3 |
1.6 |
0.818 |
5 |
0 |
0 |
0.000 |
19 |
29 |
|
E |
20 |
8 |
16050 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
25 |
6 |
16040 |
157.1 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
F |
17 |
5 |
16216 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
5 |
16033 |
154.0 |
-0.3 |
0.411 |
1 |
0 |
0 |
0.000 |
21 |
31 |
|
D |
14 |
4 |
16040 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
16163 |
143.8 |
0.2 |
0.647 |
1 |
0 |
0 |
0.000 |
32 |
|
C |
4 |
3 |
16033 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
16039 |
9.3 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
0.1 |
0.625 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
D |
20 |
7 |
16040 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
19 |
9 |
16039 |
140.9 |
-1.1 |
0.391 |
0 |
1 |
0 |
0.000 |
23 |
34 |
|
[GOL]B:403 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
16163 |
120.6 |
-0.8 |
0.475 |
0 |
0 |
0 |
0.019 |
24 |
35 |
|
[GOL]D:403 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
27 |
10 |
16040 |
119.6 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.010 |
25 |
36 |
|
I |
17 |
5 |
16543 |
◊ |
F |
x-1,y,z |
1_455 |
16 |
7 |
16216 |
119.5 |
0.9 |
0.724 |
2 |
1 |
0 |
0.000 |
37 |
|
J |
6 |
2 |
16220 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
16050 |
33.4 |
1.2 |
0.829 |
0 |
0 |
0 |
0.000 |
Average: |
76.4 |
1.0 |
0.776 |
1 |
1 |
0 |
0.000 |
26 |
38 |
|
[GOL]C:403 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
16033 |
119.2 |
-0.9 |
0.433 |
0 |
0 |
0 |
0.020 |
27 |
39 |
|
[GOL]A:403 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
16039 |
117.7 |
-0.8 |
0.468 |
2 |
0 |
0 |
0.035 |
28 |
40 |
|
G |
16 |
4 |
15958 |
◊ |
I |
-x-2,y-1/2,-z-1 |
2_344 |
13 |
4 |
16543 |
105.4 |
0.5 |
0.611 |
1 |
3 |
0 |
0.000 |
41 |
|
J |
11 |
4 |
16220 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
16196 |
78.2 |
0.3 |
0.648 |
0 |
2 |
0 |
0.000 |
Average: |
91.8 |
0.4 |
0.629 |
1 |
3 |
0 |
0.000 |
29 |
42 |
|
[GOL]G:403 |
6 |
1 |
220 |
f |
G |
x,y,z |
1_555 |
19 |
6 |
15958 |
98.5 |
-0.5 |
0.498 |
0 |
0 |
0 |
0.012 |
30 |
43 |
|
F |
12 |
6 |
16216 |
◊ |
J |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
3 |
16220 |
96.9 |
2.0 |
0.679 |
2 |
0 |
0 |
0.000 |
44 |
|
E |
9 |
3 |
16050 |
◊ |
I |
-x-2,y-1/2,-z |
2_345 |
5 |
3 |
16543 |
62.9 |
1.8 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
79.9 |
1.9 |
0.740 |
1 |
0 |
0 |
0.000 |
31 |
45 |
|
[MN]I:401 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
14 |
7 |
16543 |
56.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.274 |
46 |
|
[MN]J:402 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
16220 |
56.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.274 |
47 |
|
[MN]G:401 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
15958 |
55.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.274 |
48 |
|
[MN]H:402 |
1 |
1 |
123 |
cf |
H |
x,y,z |
1_555 |
11 |
6 |
16196 |
55.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.274 |
49 |
|
[MN]F:401 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
16216 |
55.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.274 |
50 |
|
[MN]E:401 |
1 |
1 |
123 |
cf |
E |
x,y,z |
1_555 |
10 |
6 |
16050 |
54.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.274 |
51 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
16033 |
51.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.274 |
52 |
|
[MN]D:401 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
16040 |
50.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.274 |
53 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16039 |
49.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.274 |
54 |
|
[MN]B:402 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
16163 |
48.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.274 |
Average: |
53.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.274 |
32 |
55 |
|
[MN]I:402 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
13 |
8 |
16543 |
56.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.230 |
56 |
|
[MN]F:402 |
1 |
1 |
123 |
cf |
F |
x,y,z |
1_555 |
7 |
5 |
16216 |
56.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.230 |
57 |
|
[MN]G:402 |
1 |
1 |
123 |
cf |
G |
x,y,z |
1_555 |
10 |
5 |
15958 |
55.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.230 |
58 |
|
[MN]C:401 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
16033 |
55.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.230 |
59 |
|
[MN]J:401 |
1 |
1 |
123 |
cf |
J |
x,y,z |
1_555 |
11 |
6 |
16220 |
55.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.230 |
60 |
|
[MN]H:401 |
1 |
1 |
123 |
cf |
H |
x,y,z |
1_555 |
10 |
6 |
16196 |
55.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.230 |
61 |
|
[MN]B:401 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
12 |
6 |
16163 |
54.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.230 |
62 |
|
[MN]E:402 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
16050 |
54.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.230 |
63 |
|
[MN]A:401 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
16039 |
54.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.230 |
64 |
|
[MN]D:402 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
16040 |
54.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.230 |
Average: |
55.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.230 |
33 |
65 |
|
[MN]E:402 |
1 |
1 |
123 |
f |
[MN]E:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
66 |
|
[MN]I:402 |
1 |
1 |
123 |
f |
[MN]I:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.061 |
35 |
67 |
|
[MN]J:402 |
1 |
1 |
123 |
f |
[MN]J:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
68 |
|
[MN]A:402 |
1 |
1 |
123 |
f |
[MN]A:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.053 |
37 |
69 |
|
[MN]H:402 |
1 |
1 |
123 |
f |
[MN]H:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.059 |
38 |
70 |
|
[MN]F:402 |
1 |
1 |
123 |
f |
[MN]F:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.057 |
39 |
71 |
|
[MN]G:402 |
1 |
1 |
123 |
f |
[MN]G:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.057 |
40 |
72 |
|
[MN]C:402 |
1 |
1 |
123 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.054 |
41 |
73 |
|
[MN]D:402 |
1 |
1 |
123 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.052 |
42 |
74 |
|
[MN]B:402 |
1 |
1 |
123 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.053 |
43 |
75 |
|
[GOL]B:403 |
4 |
1 |
218 |
f |
[MN]B:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
76 |
|
[GOL]A:403 |
4 |
1 |
219 |
f |
[MN]A:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.047 |
77 |
|
[GOL]D:403 |
4 |
1 |
218 |
f |
[MN]D:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
15.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.047 |
78 |
|
[GOL]C:403 |
3 |
1 |
221 |
f |
[MN]C:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.047 |
79 |
|
[GOL]D:403 |
2 |
1 |
218 |
f |
[MN]D:402 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
12.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.047 |
45 |
80 |
|
B |
4 |
4 |
16163 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
16033 |
14.7 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
J |
1 |
1 |
16220 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16040 |
10.7 |
-0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
[GOL]G:403 |
2 |
1 |
220 |
f |
[MN]G:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
3.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
48 |
83 |
|
[GOL]C:403 |
1 |
1 |
221 |
f |
[MN]C:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
84 |
|
[GOL]B:403 |
2 |
1 |
218 |
f |
[MN]B:401 |
x,y,z |
1_555 |
1 |
1 |
123 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
50 |
85 |
|
I |
1 |
1 |
16543 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
16033 |
0.4 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
|