## |
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 |
|
D |
207 |
57 |
16920 |
◊ |
C |
x,y,z |
1_555 |
228 |
63 |
16781 |
2137.2 |
-26.5 |
0.409 |
14 |
6 |
0 |
0.910 |
2 |
|
B |
203 |
57 |
16844 |
◊ |
A |
x,y,z |
1_555 |
213 |
62 |
16884 |
2113.2 |
-28.6 |
0.278 |
13 |
2 |
0 |
0.910 |
3 |
|
C |
205 |
57 |
16781 |
◊ |
B |
x,y,z |
1_555 |
216 |
63 |
16844 |
2100.9 |
-28.0 |
0.307 |
12 |
0 |
0 |
0.910 |
4 |
|
E |
217 |
62 |
16815 |
◊ |
A |
x,y,z |
1_555 |
205 |
57 |
16884 |
2100.5 |
-27.3 |
0.330 |
14 |
6 |
0 |
0.910 |
5 |
|
E |
205 |
56 |
16815 |
◊ |
D |
x,y,z |
1_555 |
214 |
62 |
16920 |
2093.5 |
-29.3 |
0.248 |
13 |
2 |
0 |
0.910 |
Average: |
2109.1 |
-27.9 |
0.314 |
13 |
3 |
0 |
0.910 |
2 |
6 |
|
B |
62 |
17 |
16844 |
◊ |
B |
-x,y,-z |
2_555 |
63 |
17 |
16844 |
496.4 |
-5.8 |
0.630 |
6 |
6 |
0 |
0.000 |
3 |
7 |
|
D |
52 |
18 |
16920 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
57 |
19 |
16884 |
434.5 |
-2.7 |
0.792 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
41 |
14 |
16781 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
39 |
14 |
16815 |
391.4 |
1.6 |
0.937 |
6 |
8 |
0 |
0.000 |
5 |
9 |
|
[PLC]D:318 |
29 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
45 |
13 |
16920 |
368.1 |
-1.6 |
0.304 |
1 |
0 |
0 |
0.057 |
10 |
|
[PLC]C:318 |
29 |
1 |
817 |
f |
C |
x,y,z |
1_555 |
46 |
13 |
16781 |
367.9 |
-1.3 |
0.306 |
2 |
0 |
0 |
0.057 |
11 |
|
[PLC]B:318 |
29 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
45 |
13 |
16844 |
367.6 |
-1.9 |
0.264 |
1 |
0 |
0 |
0.057 |
12 |
|
[PLC]A:318 |
29 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
43 |
13 |
16884 |
366.4 |
-1.6 |
0.280 |
0 |
0 |
0 |
0.057 |
13 |
|
[PLC]E:318 |
29 |
1 |
819 |
f |
E |
x,y,z |
1_555 |
44 |
13 |
16815 |
365.8 |
-2.1 |
0.257 |
1 |
0 |
0 |
0.057 |
Average: |
367.2 |
-1.7 |
0.282 |
1 |
0 |
0 |
0.057 |
6 |
14 |
|
[PLC]D:320 |
16 |
1 |
641 |
f |
E |
x,y,z |
1_555 |
23 |
8 |
16815 |
216.8 |
-1.2 |
0.281 |
0 |
0 |
0 |
0.015 |
15 |
|
[PLC]C:320 |
17 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
16920 |
193.6 |
-0.5 |
0.234 |
0 |
0 |
0 |
0.015 |
16 |
|
[PLC]A:320 |
18 |
1 |
611 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
16884 |
188.5 |
-1.1 |
0.231 |
0 |
0 |
0 |
0.015 |
Average: |
199.6 |
-0.9 |
0.249 |
0 |
0 |
0 |
0.015 |
7 |
17 |
|
A |
16 |
4 |
16884 |
◊ |
A |
-x,y,-z |
2_555 |
16 |
4 |
16884 |
170.9 |
2.7 |
0.960 |
4 |
0 |
0 |
0.000 |
8 |
18 |
|
[LMT]D:322 |
12 |
1 |
446 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
16920 |
159.5 |
1.3 |
0.072 |
0 |
0 |
0 |
0.000 |
19 |
|
[LMT]B:321 |
12 |
1 |
446 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
16844 |
152.4 |
0.9 |
0.087 |
0 |
0 |
0 |
0.000 |
Average: |
155.9 |
1.1 |
0.080 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
[LMT]C:322 |
12 |
1 |
447 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
16781 |
158.2 |
1.5 |
0.108 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
[LMT]A:323 |
12 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
16884 |
154.1 |
1.1 |
0.078 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[LMT]E:321 |
12 |
1 |
451 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
16815 |
152.0 |
1.0 |
0.073 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[PLC]D:320 |
10 |
1 |
641 |
◊ |
D |
x,y,z |
1_555 |
23 |
5 |
16920 |
140.4 |
1.1 |
0.572 |
0 |
0 |
0 |
0.000 |
24 |
|
[PLC]A:320 |
10 |
1 |
611 |
◊ |
E |
x,y,z |
1_555 |
23 |
5 |
16815 |
129.6 |
1.3 |
0.573 |
0 |
0 |
0 |
0.000 |
25 |
|
[PLC]C:320 |
8 |
1 |
605 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
16781 |
98.2 |
1.0 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
122.8 |
1.1 |
0.583 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
[PLC]A:321 |
7 |
1 |
299 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
16844 |
125.2 |
0.8 |
0.303 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
A |
15 |
5 |
16884 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
15 |
5 |
16884 |
111.4 |
-2.7 |
0.360 |
0 |
0 |
0 |
0.000 |
28 |
|
E |
14 |
4 |
16815 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
16844 |
109.8 |
-2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
14 |
4 |
16920 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
14 |
4 |
16781 |
109.4 |
-2.5 |
0.354 |
0 |
0 |
0 |
0.000 |
Average: |
110.2 |
-2.6 |
0.355 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[PLC]E:319 |
9 |
1 |
358 |
f |
[PLC]E:318 |
x,y,z |
1_555 |
17 |
1 |
819 |
107.4 |
4.0 |
0.151 |
0 |
0 |
0 |
0.000 |
16 |
31 |
|
[PLC]B:319 |
9 |
1 |
358 |
f |
[PLC]B:318 |
x,y,z |
1_555 |
18 |
1 |
820 |
106.1 |
3.8 |
0.144 |
0 |
0 |
0 |
0.000 |
32 |
|
[PLC]A:319 |
9 |
1 |
359 |
f |
[PLC]A:318 |
x,y,z |
1_555 |
17 |
1 |
819 |
103.5 |
3.2 |
0.151 |
0 |
0 |
0 |
0.000 |
33 |
|
[PLC]C:319 |
9 |
1 |
359 |
f |
[PLC]C:318 |
x,y,z |
1_555 |
17 |
1 |
817 |
102.0 |
3.3 |
0.135 |
0 |
0 |
0 |
0.000 |
34 |
|
[PLC]D:319 |
9 |
1 |
359 |
f |
[PLC]D:318 |
x,y,z |
1_555 |
17 |
1 |
822 |
100.8 |
3.5 |
0.140 |
0 |
0 |
0 |
0.000 |
Average: |
103.1 |
3.5 |
0.142 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
[LMT]B:322 |
10 |
1 |
437 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
12 |
1 |
439 |
84.8 |
4.0 |
0.018 |
0 |
0 |
0 |
0.000 |
18 |
36 |
|
[LMT]E:321 |
7 |
1 |
451 |
◊ |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
437 |
84.7 |
4.5 |
0.060 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
[LMT]B:322 |
12 |
1 |
437 |
◊ |
[LMT]B:321 |
x,y,z |
1_555 |
10 |
1 |
446 |
82.8 |
3.8 |
0.022 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
[PLC]A:321 |
6 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
16884 |
79.6 |
0.3 |
0.328 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
[LMT]C:322 |
9 |
1 |
447 |
f |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
437 |
77.9 |
3.5 |
0.030 |
0 |
0 |
0 |
0.000 |
22 |
40 |
|
[CL]A:322 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16884 |
74.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.317 |
41 |
|
[CL]B:320 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16844 |
73.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.317 |
42 |
|
[CL]C:321 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16781 |
73.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.317 |
43 |
|
[CL]E:320 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
16815 |
73.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.317 |
44 |
|
[CL]D:321 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16920 |
72.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.317 |
Average: |
73.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.317 |
23 |
45 |
|
[LMT]D:322 |
9 |
1 |
446 |
◊ |
[LMT]B:322 |
x,y,z |
1_555 |
10 |
1 |
437 |
70.5 |
3.5 |
0.026 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
[LMT]B:321 |
7 |
1 |
446 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
8 |
1 |
439 |
63.7 |
2.4 |
0.038 |
0 |
0 |
0 |
0.000 |
25 |
47 |
|
[LMT]E:321 |
11 |
1 |
451 |
◊ |
[LMT]D:322 |
x,y,z |
1_555 |
10 |
1 |
446 |
61.5 |
2.8 |
0.010 |
0 |
0 |
0 |
0.000 |
26 |
48 |
|
[LMT]E:321 |
11 |
1 |
451 |
◊ |
[LMT]A:323 |
x,y,z |
1_555 |
8 |
1 |
439 |
60.8 |
3.2 |
0.019 |
0 |
0 |
0 |
0.000 |
27 |
49 |
|
[LMT]D:322 |
8 |
1 |
446 |
◊ |
[LMT]C:322 |
x,y,z |
1_555 |
9 |
1 |
447 |
58.0 |
2.8 |
0.028 |
0 |
0 |
0 |
0.000 |
28 |
50 |
|
[LMT]C:322 |
11 |
1 |
447 |
◊ |
[LMT]B:321 |
x,y,z |
1_555 |
11 |
1 |
446 |
57.9 |
2.8 |
0.013 |
0 |
0 |
0 |
0.000 |
29 |
51 |
|
[LMT]D:322 |
7 |
1 |
446 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
16815 |
49.9 |
0.1 |
0.034 |
0 |
0 |
0 |
0.000 |
52 |
|
[LMT]B:321 |
8 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16781 |
48.1 |
-0.0 |
0.035 |
0 |
0 |
0 |
0.000 |
Average: |
49.0 |
0.0 |
0.034 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[LMT]E:321 |
7 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16884 |
44.8 |
-0.0 |
0.028 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
[LMT]C:322 |
6 |
1 |
447 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16920 |
44.7 |
0.0 |
0.028 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[LMT]A:323 |
4 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16844 |
43.7 |
-0.0 |
0.040 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
[LMT]E:321 |
3 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
16920 |
35.7 |
-0.9 |
0.102 |
0 |
0 |
0 |
0.008 |
34 |
57 |
|
[LMT]B:321 |
3 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16884 |
35.5 |
-0.9 |
0.091 |
0 |
0 |
0 |
0.009 |
58 |
|
[LMT]D:322 |
2 |
1 |
446 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
16781 |
34.8 |
-0.8 |
0.096 |
0 |
0 |
0 |
0.009 |
Average: |
35.1 |
-0.9 |
0.093 |
0 |
0 |
0 |
0.009 |
35 |
59 |
|
[LMT]C:322 |
3 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16844 |
32.1 |
-0.8 |
0.112 |
0 |
0 |
0 |
0.010 |
36 |
60 |
|
[LMT]A:323 |
3 |
1 |
439 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
16815 |
28.5 |
-0.5 |
0.108 |
0 |
0 |
0 |
0.004 |
37 |
61 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16781 |
20.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.043 |
62 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
16920 |
20.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.043 |
63 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16844 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.043 |
64 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
16815 |
16.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.043 |
65 |
|
[NA]A:324 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16884 |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
17.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.043 |
38 |
66 |
|
[LMT]B:322 |
2 |
1 |
437 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
16815 |
13.6 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
39 |
67 |
|
C |
2 |
1 |
16781 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16884 |
7.7 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
68 |
|
D |
2 |
1 |
16920 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16815 |
4.4 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
Average: |
6.0 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
40 |
69 |
|
[LMT]B:322 |
1 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16884 |
7.1 |
0.1 |
0.222 |
0 |
0 |
0 |
0.000 |
41 |
70 |
|
[LMT]B:322 |
1 |
1 |
437 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16920 |
6.6 |
0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
42 |
71 |
|
[CL]A:322 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
16815 |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
72 |
|
[CL]C:321 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16844 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
73 |
|
[CL]E:320 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16920 |
4.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
74 |
|
[CL]D:321 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16781 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
75 |
|
[CL]B:320 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16884 |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
4.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
76 |
|
[LMT]B:322 |
2 |
1 |
437 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
16781 |
2.3 |
0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
44 |
77 |
|
[LMT]B:322 |
1 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16844 |
1.6 |
0.0 |
0.290 |
0 |
0 |
0 |
0.000 |
|