## |
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 |
|
B |
208 |
58 |
16794 |
◊ |
A |
x,y,z |
1_555 |
210 |
60 |
16797 |
2076.8 |
-30.9 |
0.227 |
10 |
2 |
0 |
0.942 |
2 |
|
E |
215 |
61 |
16718 |
◊ |
A |
x,y,z |
1_555 |
204 |
57 |
16797 |
2065.7 |
-30.4 |
0.238 |
13 |
6 |
0 |
0.942 |
3 |
|
D |
203 |
56 |
16846 |
◊ |
C |
x,y,z |
1_555 |
218 |
61 |
16689 |
2060.7 |
-29.2 |
0.301 |
9 |
5 |
0 |
0.942 |
4 |
|
E |
212 |
57 |
16718 |
◊ |
D |
x,y,z |
1_555 |
205 |
60 |
16846 |
2045.8 |
-30.2 |
0.233 |
9 |
2 |
0 |
0.942 |
5 |
|
C |
206 |
58 |
16689 |
◊ |
B |
x,y,z |
1_555 |
208 |
61 |
16794 |
2039.8 |
-29.5 |
0.263 |
9 |
0 |
0 |
0.942 |
Average: |
2057.8 |
-30.1 |
0.252 |
10 |
3 |
0 |
0.942 |
2 |
6 |
|
B |
64 |
17 |
16794 |
◊ |
B |
-x,y,-z |
2_555 |
63 |
17 |
16794 |
499.0 |
-5.6 |
0.663 |
4 |
6 |
0 |
0.000 |
3 |
7 |
|
C |
39 |
13 |
16689 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
38 |
14 |
16718 |
374.1 |
1.6 |
0.938 |
5 |
7 |
0 |
0.000 |
4 |
8 |
|
[PLC]D:318 |
29 |
1 |
824 |
f |
D |
x,y,z |
1_555 |
45 |
14 |
16846 |
370.3 |
-1.7 |
0.289 |
0 |
0 |
0 |
0.067 |
9 |
|
[PLC]C:318 |
29 |
1 |
828 |
f |
C |
x,y,z |
1_555 |
44 |
13 |
16689 |
370.0 |
-1.5 |
0.298 |
1 |
0 |
0 |
0.067 |
10 |
|
[PLC]B:318 |
29 |
1 |
827 |
f |
B |
x,y,z |
1_555 |
45 |
13 |
16794 |
367.9 |
-2.8 |
0.229 |
1 |
0 |
0 |
0.067 |
11 |
|
[PLC]A:318 |
29 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
43 |
13 |
16797 |
366.2 |
-2.4 |
0.259 |
1 |
0 |
0 |
0.067 |
12 |
|
[PLC]E:318 |
29 |
1 |
826 |
f |
E |
x,y,z |
1_555 |
42 |
13 |
16718 |
364.1 |
-2.2 |
0.250 |
1 |
0 |
0 |
0.067 |
Average: |
367.7 |
-2.1 |
0.265 |
1 |
0 |
0 |
0.067 |
5 |
13 |
|
D |
42 |
16 |
16846 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
42 |
15 |
16797 |
333.5 |
-2.2 |
0.762 |
2 |
0 |
0 |
0.000 |
6 |
14 |
|
[PLC]D:320 |
17 |
1 |
646 |
f |
E |
x,y,z |
1_555 |
23 |
8 |
16718 |
220.4 |
-1.3 |
0.270 |
0 |
0 |
0 |
0.017 |
15 |
|
[PLC]C:320 |
17 |
1 |
587 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
16846 |
199.6 |
-0.7 |
0.219 |
0 |
0 |
0 |
0.017 |
16 |
|
[PLC]A:320 |
17 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
16797 |
193.5 |
-1.0 |
0.204 |
0 |
0 |
0 |
0.017 |
Average: |
204.5 |
-1.0 |
0.231 |
0 |
0 |
0 |
0.017 |
7 |
17 |
|
A |
20 |
5 |
16797 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
5 |
16797 |
186.1 |
2.8 |
0.964 |
4 |
0 |
0 |
0.000 |
8 |
18 |
|
[PLC]C:321 |
14 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
16794 |
158.1 |
0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
[LMT]D:322 |
12 |
1 |
448 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
16846 |
155.2 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
20 |
|
[LMT]B:321 |
12 |
1 |
447 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
16794 |
150.8 |
1.5 |
0.113 |
0 |
0 |
0 |
0.000 |
Average: |
153.0 |
1.7 |
0.105 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
[LMT]C:323 |
12 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
16689 |
153.9 |
1.9 |
0.117 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[LMT]A:323 |
12 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
16797 |
153.3 |
1.8 |
0.111 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[LMT]E:321 |
12 |
1 |
448 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
16718 |
148.1 |
1.5 |
0.080 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[PLC]C:321 |
10 |
1 |
610 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
16689 |
142.0 |
0.5 |
0.370 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[PLC]D:320 |
10 |
1 |
646 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
16846 |
138.8 |
1.0 |
0.590 |
0 |
0 |
0 |
0.000 |
26 |
|
[PLC]A:320 |
11 |
1 |
606 |
◊ |
E |
x,y,z |
1_555 |
22 |
4 |
16718 |
130.9 |
1.5 |
0.556 |
0 |
0 |
0 |
0.000 |
27 |
|
[PLC]C:320 |
9 |
1 |
587 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
16689 |
106.0 |
0.8 |
0.561 |
0 |
0 |
0 |
0.000 |
Average: |
125.2 |
1.1 |
0.569 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[PLC]A:321 |
7 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
16794 |
124.8 |
0.7 |
0.277 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
D |
14 |
4 |
16846 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
16689 |
110.7 |
-2.5 |
0.358 |
0 |
0 |
0 |
0.000 |
30 |
|
E |
14 |
4 |
16718 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
16794 |
108.4 |
-2.4 |
0.370 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
14 |
4 |
16797 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
16797 |
108.0 |
-2.5 |
0.365 |
0 |
0 |
0 |
0.000 |
Average: |
109.0 |
-2.5 |
0.364 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[PLC]C:319 |
9 |
1 |
358 |
f |
[PLC]C:318 |
x,y,z |
1_555 |
17 |
1 |
828 |
104.5 |
3.3 |
0.163 |
0 |
0 |
0 |
0.000 |
33 |
|
[PLC]E:319 |
9 |
1 |
360 |
f |
[PLC]E:318 |
x,y,z |
1_555 |
18 |
1 |
826 |
104.3 |
3.9 |
0.121 |
0 |
0 |
0 |
0.000 |
34 |
|
[PLC]D:319 |
9 |
1 |
357 |
f |
[PLC]D:318 |
x,y,z |
1_555 |
17 |
1 |
824 |
103.3 |
3.2 |
0.129 |
0 |
0 |
0 |
0.000 |
35 |
|
[PLC]A:319 |
9 |
1 |
359 |
f |
[PLC]A:318 |
x,y,z |
1_555 |
16 |
1 |
821 |
101.0 |
3.5 |
0.153 |
0 |
0 |
0 |
0.000 |
36 |
|
[PLC]B:319 |
9 |
1 |
357 |
f |
[PLC]B:318 |
x,y,z |
1_555 |
16 |
1 |
827 |
97.0 |
4.0 |
0.115 |
0 |
0 |
0 |
0.000 |
Average: |
102.0 |
3.6 |
0.136 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
[LMT]B:322 |
10 |
1 |
436 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
12 |
1 |
439 |
86.7 |
4.1 |
0.016 |
0 |
0 |
0 |
0.000 |
19 |
38 |
|
[LMT]E:321 |
7 |
1 |
448 |
◊ |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
436 |
86.2 |
4.5 |
0.050 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
[LMT]B:322 |
12 |
1 |
436 |
◊ |
[LMT]B:321 |
x,y,z |
1_555 |
10 |
1 |
447 |
85.6 |
4.0 |
0.020 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[PLC]A:321 |
5 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
16797 |
82.0 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
[LMT]C:323 |
10 |
1 |
446 |
◊ |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
436 |
79.6 |
3.6 |
0.021 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[CL]D:321 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
16846 |
74.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.303 |
43 |
|
[CL]C:322 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
16689 |
74.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.303 |
44 |
|
[CL]B:320 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
16794 |
73.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.303 |
45 |
|
[CL]A:322 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16797 |
72.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.303 |
46 |
|
[CL]E:320 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
16718 |
71.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.303 |
Average: |
73.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.303 |
24 |
47 |
|
[LMT]D:322 |
9 |
1 |
448 |
f |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
436 |
72.4 |
3.7 |
0.025 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[LMT]B:321 |
7 |
1 |
447 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
8 |
1 |
439 |
65.0 |
2.5 |
0.037 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
[LMT]E:321 |
11 |
1 |
448 |
◊ |
[LMT]D:322 |
x,y,z |
1_555 |
10 |
1 |
448 |
62.5 |
2.7 |
0.009 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
[LMT]E:321 |
11 |
1 |
448 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
8 |
1 |
439 |
62.3 |
3.3 |
0.019 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[LMT]D:322 |
8 |
1 |
448 |
◊ |
[LMT]C:323 |
x,y,z |
1_555 |
9 |
1 |
446 |
59.5 |
2.9 |
0.027 |
0 |
0 |
0 |
0.000 |
29 |
52 |
|
[LMT]C:323 |
11 |
1 |
446 |
◊ |
[LMT]B:321 |
x,y,z |
1_555 |
11 |
1 |
447 |
58.8 |
2.8 |
0.012 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[LMT]D:322 |
6 |
1 |
448 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16718 |
51.6 |
0.8 |
0.093 |
0 |
0 |
0 |
0.000 |
54 |
|
[LMT]B:321 |
7 |
1 |
447 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16689 |
46.8 |
0.7 |
0.108 |
0 |
0 |
0 |
0.000 |
Average: |
49.2 |
0.8 |
0.100 |
0 |
0 |
0 |
0.000 |
31 |
55 |
|
[LMT]E:321 |
7 |
1 |
448 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16797 |
45.8 |
0.6 |
0.075 |
0 |
0 |
0 |
0.000 |
32 |
56 |
|
[LMT]C:323 |
7 |
1 |
446 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16846 |
44.8 |
0.8 |
0.090 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[LMT]A:323 |
4 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16794 |
44.0 |
0.7 |
0.154 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[LMT]E:321 |
3 |
1 |
448 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16846 |
32.5 |
-0.8 |
0.112 |
0 |
0 |
0 |
0.007 |
35 |
59 |
|
[LMT]D:322 |
2 |
1 |
448 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16689 |
32.4 |
-0.7 |
0.184 |
0 |
0 |
0 |
0.010 |
60 |
|
[LMT]B:321 |
3 |
1 |
447 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16797 |
32.0 |
-0.8 |
0.099 |
0 |
0 |
0 |
0.010 |
Average: |
32.2 |
-0.8 |
0.142 |
0 |
0 |
0 |
0.010 |
36 |
61 |
|
[LMT]C:323 |
3 |
1 |
446 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16794 |
26.9 |
-0.7 |
0.108 |
0 |
0 |
0 |
0.006 |
37 |
62 |
|
[LMT]A:323 |
2 |
1 |
439 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
16718 |
23.8 |
-0.4 |
0.148 |
0 |
0 |
0 |
0.004 |
38 |
63 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16689 |
21.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.049 |
64 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16846 |
20.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.049 |
65 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16718 |
19.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.049 |
66 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16794 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.049 |
67 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16797 |
17.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
19.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.049 |
39 |
68 |
|
[CL]E:320 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
16846 |
16.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.027 |
69 |
|
[CL]D:321 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16689 |
15.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
70 |
|
[CL]B:320 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16797 |
9.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.027 |
71 |
|
[CL]C:322 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16794 |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.027 |
72 |
|
[CL]A:322 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16718 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
11.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
40 |
73 |
|
[LMT]B:322 |
2 |
1 |
436 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
16718 |
9.2 |
0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
41 |
74 |
|
C |
2 |
1 |
16689 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16797 |
6.8 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
75 |
|
D |
2 |
1 |
16846 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16718 |
4.8 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
5.8 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
42 |
76 |
|
[LMT]B:322 |
1 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16846 |
4.6 |
0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
43 |
77 |
|
[LMT]B:322 |
1 |
1 |
436 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16797 |
4.5 |
0.1 |
0.246 |
0 |
0 |
0 |
0.000 |
44 |
78 |
|
[LMT]B:322 |
1 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16689 |
0.8 |
0.0 |
0.314 |
0 |
0 |
0 |
0.000 |
|