## |
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 |
206 |
58 |
16973 |
◊ |
D |
x,y,z |
1_555 |
227 |
64 |
16979 |
2139.1 |
-29.5 |
0.313 |
14 |
2 |
0 |
0.890 |
2 |
|
B |
208 |
61 |
17012 |
◊ |
A |
x,y,z |
1_555 |
226 |
65 |
16965 |
2133.0 |
-29.8 |
0.312 |
12 |
3 |
0 |
0.890 |
3 |
|
C |
210 |
60 |
16972 |
◊ |
B |
x,y,z |
1_555 |
222 |
65 |
17012 |
2125.7 |
-29.2 |
0.316 |
14 |
1 |
0 |
0.890 |
4 |
|
D |
206 |
58 |
16979 |
◊ |
C |
x,y,z |
1_555 |
219 |
65 |
16972 |
2124.8 |
-28.2 |
0.340 |
13 |
1 |
0 |
0.890 |
5 |
|
E |
225 |
64 |
16973 |
◊ |
A |
x,y,z |
1_555 |
202 |
57 |
16965 |
2123.0 |
-28.8 |
0.337 |
13 |
1 |
0 |
0.890 |
Average: |
2129.1 |
-29.1 |
0.323 |
13 |
2 |
0 |
0.890 |
2 |
6 |
|
B |
79 |
19 |
17012 |
◊ |
B |
-x,y,-z |
2_555 |
79 |
19 |
17012 |
701.3 |
-6.8 |
0.692 |
2 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
61 |
20 |
16979 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
58 |
20 |
16965 |
540.8 |
-4.8 |
0.693 |
8 |
2 |
0 |
0.164 |
4 |
8 |
|
C |
46 |
14 |
16972 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
46 |
14 |
16973 |
439.9 |
3.1 |
0.975 |
3 |
2 |
0 |
0.000 |
5 |
9 |
|
[PLC]C:404 |
28 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
42 |
13 |
16972 |
383.5 |
0.5 |
0.372 |
1 |
0 |
0 |
0.000 |
10 |
|
[PLC]D:402 |
28 |
1 |
828 |
f |
D |
x,y,z |
1_555 |
42 |
13 |
16979 |
381.3 |
0.5 |
0.365 |
1 |
0 |
0 |
0.000 |
11 |
|
[PLC]A:402 |
29 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
42 |
13 |
16965 |
381.2 |
0.5 |
0.364 |
1 |
0 |
0 |
0.000 |
12 |
|
[PLC]B:402 |
28 |
1 |
828 |
f |
B |
x,y,z |
1_555 |
42 |
13 |
17012 |
380.5 |
0.5 |
0.369 |
1 |
0 |
0 |
0.000 |
13 |
|
[PLC]E:402 |
29 |
1 |
829 |
f |
E |
x,y,z |
1_555 |
42 |
13 |
16973 |
380.0 |
0.5 |
0.363 |
1 |
0 |
0 |
0.000 |
Average: |
381.3 |
0.5 |
0.367 |
1 |
0 |
0 |
0.000 |
6 |
14 |
|
A |
14 |
4 |
16965 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
4 |
16965 |
152.2 |
3.7 |
0.982 |
8 |
0 |
0 |
0.000 |
7 |
15 |
|
[LMT]B:405 |
12 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
17012 |
145.1 |
1.4 |
0.109 |
0 |
0 |
0 |
0.000 |
16 |
|
[LMT]E:404 |
12 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
16973 |
144.8 |
1.4 |
0.113 |
0 |
0 |
0 |
0.000 |
17 |
|
[LMT]C:406 |
12 |
1 |
438 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
16972 |
144.7 |
1.5 |
0.116 |
0 |
0 |
0 |
0.000 |
18 |
|
[LMT]D:404 |
12 |
1 |
434 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16979 |
143.9 |
1.4 |
0.110 |
0 |
0 |
0 |
0.000 |
Average: |
144.6 |
1.4 |
0.112 |
0 |
0 |
0 |
0.000 |
8 |
19 |
|
[LMT]A:407 |
12 |
1 |
438 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16965 |
143.3 |
1.5 |
0.119 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
D |
13 |
4 |
16979 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
16972 |
121.2 |
-2.7 |
0.293 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
13 |
4 |
16965 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
16965 |
121.1 |
-2.8 |
0.291 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
13 |
4 |
16973 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
17012 |
119.9 |
-2.7 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
120.7 |
-2.7 |
0.295 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[ACT]E:403 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
16973 |
94.1 |
0.0 |
0.787 |
3 |
0 |
0 |
0.161 |
24 |
|
[ACT]C:405 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16972 |
93.3 |
0.1 |
0.793 |
3 |
0 |
0 |
0.161 |
25 |
|
[ACT]D:403 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
16979 |
92.9 |
0.1 |
0.791 |
3 |
0 |
0 |
0.161 |
26 |
|
[ACT]B:404 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17012 |
92.2 |
0.1 |
0.786 |
3 |
0 |
0 |
0.161 |
Average: |
93.1 |
0.1 |
0.789 |
3 |
0 |
0 |
0.161 |
11 |
27 |
|
[ACT]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
16965 |
91.3 |
0.0 |
0.785 |
3 |
0 |
0 |
0.025 |
12 |
28 |
|
[ACT]E:401 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
16973 |
84.9 |
-0.6 |
0.696 |
2 |
0 |
0 |
0.191 |
29 |
|
[ACT]A:401 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16965 |
84.3 |
-0.6 |
0.747 |
2 |
0 |
0 |
0.191 |
30 |
|
[ACT]D:401 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16979 |
83.8 |
-0.6 |
0.731 |
2 |
0 |
0 |
0.191 |
31 |
|
[ACT]C:403 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
16972 |
83.6 |
-0.6 |
0.697 |
2 |
0 |
0 |
0.191 |
Average: |
84.1 |
-0.6 |
0.718 |
2 |
0 |
0 |
0.191 |
13 |
32 |
|
[ACT]B:401 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
17012 |
83.6 |
-0.6 |
0.735 |
2 |
0 |
0 |
0.010 |
14 |
33 |
|
[LMT]C:402 |
9 |
1 |
434 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
8 |
1 |
436 |
76.4 |
3.7 |
0.055 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
[LMT]C:406 |
9 |
1 |
438 |
◊ |
[LMT]C:402 |
x,y,z |
1_555 |
12 |
1 |
434 |
74.9 |
3.4 |
0.022 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17012 |
71.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.221 |
36 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16965 |
68.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.221 |
Average: |
69.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.221 |
17 |
37 |
|
[LMT]C:402 |
11 |
1 |
434 |
◊ |
[LMT]A:407 |
x,y,z |
1_555 |
10 |
1 |
438 |
70.8 |
3.6 |
0.025 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
[LMT]E:404 |
7 |
1 |
434 |
◊ |
[LMT]C:402 |
x,y,z |
1_555 |
6 |
1 |
434 |
70.4 |
3.8 |
0.112 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
[LMT]D:404 |
8 |
1 |
434 |
f |
[LMT]C:402 |
x,y,z |
1_555 |
11 |
1 |
434 |
67.8 |
3.4 |
0.034 |
0 |
0 |
0 |
0.000 |
20 |
40 |
|
[ACT]D:401 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
16972 |
67.2 |
-0.3 |
0.725 |
1 |
0 |
0 |
0.016 |
41 |
|
[ACT]E:401 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
16979 |
65.7 |
-0.3 |
0.720 |
1 |
0 |
0 |
0.016 |
42 |
|
[ACT]C:403 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17012 |
64.9 |
-0.3 |
0.712 |
1 |
0 |
0 |
0.016 |
43 |
|
[ACT]A:401 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
16973 |
64.5 |
-0.4 |
0.705 |
1 |
0 |
0 |
0.016 |
Average: |
65.6 |
-0.3 |
0.716 |
1 |
0 |
0 |
0.016 |
21 |
44 |
|
[ACT]B:401 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
16965 |
65.5 |
-0.3 |
0.726 |
1 |
0 |
0 |
0.004 |
22 |
45 |
|
[LMT]E:404 |
12 |
1 |
434 |
◊ |
[LMT]D:404 |
x,y,z |
1_555 |
9 |
1 |
434 |
60.8 |
2.9 |
0.017 |
0 |
0 |
0 |
0.000 |
46 |
|
[LMT]C:406 |
11 |
1 |
438 |
◊ |
[LMT]B:405 |
x,y,z |
1_555 |
8 |
1 |
436 |
57.2 |
2.7 |
0.022 |
0 |
0 |
0 |
0.000 |
47 |
|
[LMT]D:404 |
11 |
1 |
434 |
◊ |
[LMT]C:406 |
x,y,z |
1_555 |
10 |
1 |
438 |
56.3 |
2.7 |
0.017 |
0 |
0 |
0 |
0.000 |
Average: |
58.1 |
2.8 |
0.019 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
D |
10 |
7 |
16979 |
f |
[CL]A:405 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
60.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.306 |
49 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16965 |
57.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.306 |
Average: |
58.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.306 |
24 |
50 |
|
[LMT]B:405 |
11 |
1 |
436 |
◊ |
[LMT]A:407 |
x,y,z |
1_555 |
6 |
1 |
438 |
59.7 |
2.9 |
0.036 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
[LMT]E:404 |
11 |
1 |
434 |
◊ |
[LMT]A:407 |
x,y,z |
1_555 |
12 |
1 |
438 |
59.0 |
2.8 |
0.012 |
0 |
0 |
0 |
0.000 |
26 |
52 |
|
[LMT]D:404 |
7 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16973 |
49.5 |
0.7 |
0.082 |
0 |
0 |
0 |
0.000 |
53 |
|
[LMT]B:405 |
7 |
1 |
436 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16972 |
48.7 |
0.7 |
0.082 |
0 |
0 |
0 |
0.000 |
54 |
|
[LMT]C:406 |
7 |
1 |
438 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16979 |
48.0 |
0.7 |
0.085 |
0 |
0 |
0 |
0.000 |
55 |
|
[LMT]E:404 |
7 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16965 |
46.5 |
0.7 |
0.089 |
0 |
0 |
0 |
0.000 |
Average: |
48.2 |
0.7 |
0.085 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[LMT]A:407 |
7 |
1 |
438 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17012 |
48.6 |
0.7 |
0.084 |
0 |
0 |
0 |
0.000 |
28 |
57 |
|
D |
5 |
2 |
16979 |
◊ |
[CL]A:404 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
41.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.177 |
58 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
16965 |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
38.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.177 |
29 |
59 |
|
[LMT]E:404 |
4 |
1 |
434 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16979 |
40.6 |
-0.8 |
0.084 |
0 |
0 |
0 |
0.099 |
60 |
|
[LMT]C:406 |
3 |
1 |
438 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
17012 |
39.6 |
-0.8 |
0.126 |
0 |
0 |
0 |
0.099 |
61 |
|
[LMT]D:404 |
3 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16972 |
39.2 |
-0.8 |
0.107 |
0 |
0 |
0 |
0.099 |
62 |
|
[LMT]B:405 |
4 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
16965 |
39.0 |
-0.8 |
0.098 |
0 |
0 |
0 |
0.099 |
Average: |
39.6 |
-0.8 |
0.104 |
0 |
0 |
0 |
0.099 |
30 |
63 |
|
[LMT]A:407 |
3 |
1 |
438 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
16973 |
39.0 |
-0.8 |
0.125 |
0 |
0 |
0 |
0.022 |
31 |
64 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16972 |
24.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.047 |
65 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17012 |
22.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.047 |
66 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16965 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.047 |
67 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16979 |
17.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.047 |
68 |
|
[NA]C:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16973 |
15.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.047 |
32 |
69 |
|
[LMT]C:402 |
2 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16972 |
21.3 |
-0.7 |
0.096 |
0 |
0 |
0 |
0.088 |
33 |
70 |
|
[LMT]C:402 |
2 |
1 |
434 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17012 |
18.8 |
-0.6 |
0.107 |
0 |
0 |
0 |
0.003 |
34 |
71 |
|
[LMT]C:402 |
2 |
1 |
434 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16979 |
17.2 |
-0.4 |
0.145 |
0 |
0 |
0 |
0.002 |
35 |
72 |
|
[LMT]C:402 |
2 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16973 |
14.1 |
-0.2 |
0.166 |
0 |
0 |
0 |
0.001 |
36 |
73 |
|
[LMT]C:402 |
3 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16965 |
13.4 |
-0.4 |
0.111 |
0 |
0 |
0 |
0.002 |
37 |
74 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16973 |
9.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
75 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16965 |
7.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
38 |
76 |
|
C |
1 |
1 |
16972 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16965 |
6.7 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|