## |
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 |
197 |
46 |
12226 |
◊ |
C |
x,y,z |
1_555 |
192 |
46 |
12233 |
1719.5 |
-13.7 |
0.106 |
31 |
20 |
0 |
0.738 |
2 |
|
H |
192 |
47 |
12480 |
◊ |
G |
x,y,z |
1_555 |
185 |
45 |
12328 |
1711.5 |
-13.7 |
0.092 |
32 |
19 |
0 |
0.738 |
3 |
|
B |
189 |
44 |
12291 |
◊ |
A |
x,y,z |
1_555 |
190 |
44 |
12199 |
1711.0 |
-14.0 |
0.109 |
33 |
20 |
0 |
0.738 |
4 |
|
F |
187 |
44 |
12197 |
◊ |
E |
x,y,z |
1_555 |
190 |
45 |
12223 |
1709.6 |
-14.0 |
0.120 |
31 |
20 |
0 |
0.738 |
Average: |
1712.9 |
-13.8 |
0.107 |
32 |
20 |
0 |
0.738 |
2 |
5 |
|
H |
148 |
41 |
12480 |
◊ |
E |
x,y,z |
1_555 |
147 |
41 |
12223 |
1356.5 |
-9.8 |
0.165 |
25 |
9 |
0 |
0.686 |
6 |
|
D |
139 |
40 |
12226 |
◊ |
A |
x,y,z |
1_555 |
145 |
40 |
12199 |
1326.4 |
-10.0 |
0.150 |
24 |
7 |
0 |
0.686 |
7 |
|
G |
144 |
39 |
12328 |
◊ |
F |
x,y,z |
1_555 |
146 |
41 |
12197 |
1325.6 |
-11.3 |
0.122 |
25 |
7 |
0 |
0.686 |
8 |
|
C |
146 |
40 |
12233 |
◊ |
B |
x,y,z |
1_555 |
142 |
41 |
12291 |
1324.7 |
-12.1 |
0.096 |
26 |
6 |
0 |
0.686 |
Average: |
1333.3 |
-10.8 |
0.133 |
25 |
7 |
0 |
0.686 |
3 |
9 |
|
F |
97 |
28 |
12197 |
◊ |
C |
x,y,z-1 |
1_554 |
98 |
26 |
12233 |
990.3 |
-5.7 |
0.259 |
13 |
8 |
0 |
0.180 |
10 |
|
B |
95 |
27 |
12291 |
◊ |
G |
x,y-1,z |
1_545 |
101 |
27 |
12328 |
988.3 |
-3.8 |
0.377 |
13 |
8 |
0 |
0.180 |
11 |
|
E |
98 |
26 |
12223 |
◊ |
A |
x,y,z |
1_555 |
91 |
25 |
12199 |
967.4 |
-4.0 |
0.382 |
16 |
8 |
0 |
0.180 |
Average: |
982.0 |
-4.5 |
0.339 |
14 |
8 |
0 |
0.180 |
4 |
12 |
|
[NAP]H:400 |
47 |
1 |
875 |
f |
H |
x,y,z |
1_555 |
92 |
36 |
12480 |
587.4 |
-3.4 |
0.424 |
19 |
0 |
0 |
0.771 |
13 |
|
[NAP]A:400 |
46 |
1 |
878 |
f |
A |
x,y,z |
1_555 |
92 |
34 |
12199 |
585.7 |
-4.1 |
0.425 |
20 |
0 |
0 |
0.771 |
14 |
|
[NAP]E:400 |
48 |
1 |
879 |
f |
E |
x,y,z |
1_555 |
92 |
35 |
12223 |
584.8 |
-3.9 |
0.458 |
20 |
0 |
0 |
0.771 |
15 |
|
[NAP]F:400 |
48 |
1 |
874 |
f |
F |
x,y,z |
1_555 |
90 |
34 |
12197 |
583.5 |
-4.0 |
0.447 |
19 |
0 |
0 |
0.771 |
16 |
|
[NAP]D:400 |
46 |
1 |
871 |
f |
D |
x,y,z |
1_555 |
89 |
35 |
12226 |
583.4 |
-3.7 |
0.422 |
19 |
0 |
0 |
0.771 |
17 |
|
[NAP]B:400 |
48 |
1 |
874 |
f |
B |
x,y,z |
1_555 |
93 |
35 |
12291 |
582.6 |
-3.4 |
0.486 |
21 |
0 |
0 |
0.771 |
18 |
|
[NAP]C:400 |
48 |
1 |
878 |
f |
C |
x,y,z |
1_555 |
87 |
34 |
12233 |
578.5 |
-3.9 |
0.412 |
20 |
0 |
0 |
0.771 |
19 |
|
[NAP]G:400 |
47 |
1 |
880 |
f |
G |
x,y,z |
1_555 |
88 |
35 |
12328 |
575.4 |
-3.8 |
0.409 |
20 |
0 |
0 |
0.771 |
Average: |
582.7 |
-3.8 |
0.435 |
20 |
0 |
0 |
0.771 |
5 |
20 |
|
D |
55 |
13 |
12226 |
◊ |
B |
x,y,z |
1_555 |
55 |
13 |
12291 |
546.7 |
0.5 |
0.633 |
8 |
4 |
0 |
0.063 |
21 |
|
G |
55 |
13 |
12328 |
◊ |
E |
x,y,z |
1_555 |
54 |
13 |
12223 |
531.6 |
-0.5 |
0.545 |
9 |
4 |
0 |
0.063 |
22 |
|
C |
54 |
13 |
12233 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
12199 |
529.0 |
-0.4 |
0.539 |
7 |
3 |
0 |
0.063 |
23 |
|
H |
53 |
13 |
12480 |
◊ |
F |
x,y,z |
1_555 |
51 |
13 |
12197 |
525.9 |
0.4 |
0.620 |
8 |
3 |
0 |
0.063 |
Average: |
533.3 |
-0.0 |
0.584 |
8 |
4 |
0 |
0.063 |
6 |
24 |
|
H |
29 |
11 |
12480 |
◊ |
D |
x-1,y,z-1 |
1_454 |
35 |
13 |
12226 |
286.5 |
6.1 |
0.934 |
9 |
8 |
0 |
0.000 |
7 |
25 |
|
[JA3]B:1257 |
17 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
46 |
18 |
12291 |
251.5 |
3.1 |
0.286 |
2 |
0 |
0 |
0.000 |
26 |
|
[JA3]E:1258 |
17 |
1 |
423 |
f |
F |
x,y,z |
1_555 |
45 |
18 |
12197 |
250.0 |
3.0 |
0.297 |
2 |
0 |
0 |
0.000 |
27 |
|
[JA3]G:1257 |
18 |
1 |
424 |
f |
G |
x,y,z |
1_555 |
43 |
17 |
12328 |
247.0 |
3.0 |
0.248 |
2 |
0 |
0 |
0.000 |
28 |
|
[JA3]C:1257 |
17 |
1 |
423 |
f |
C |
x,y,z |
1_555 |
43 |
17 |
12233 |
245.5 |
3.1 |
0.277 |
2 |
0 |
0 |
0.000 |
29 |
|
[JA3]C:1258 |
17 |
1 |
422 |
f |
D |
x,y,z |
1_555 |
42 |
17 |
12226 |
245.1 |
3.0 |
0.276 |
2 |
0 |
0 |
0.000 |
30 |
|
[JA3]A:1259 |
17 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
42 |
17 |
12199 |
245.1 |
3.1 |
0.283 |
2 |
0 |
0 |
0.000 |
31 |
|
[JA3]G:1258 |
17 |
1 |
421 |
f |
H |
x,y,z |
1_555 |
42 |
17 |
12480 |
245.0 |
3.0 |
0.271 |
2 |
0 |
0 |
0.000 |
32 |
|
[JA3]E:1257 |
17 |
1 |
422 |
f |
E |
x,y,z |
1_555 |
42 |
17 |
12223 |
244.8 |
3.0 |
0.288 |
2 |
0 |
0 |
0.000 |
Average: |
246.7 |
3.0 |
0.278 |
2 |
0 |
0 |
0.000 |
8 |
33 |
|
[MRD]F:1258 |
7 |
1 |
281 |
f |
F |
x,y,z |
1_555 |
31 |
13 |
12197 |
185.1 |
7.0 |
0.656 |
4 |
0 |
0 |
0.000 |
34 |
|
[MRD]B:1259 |
7 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
12291 |
183.9 |
4.4 |
0.567 |
4 |
0 |
0 |
0.000 |
35 |
|
[MRD]A:1257 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
12199 |
183.3 |
6.8 |
0.653 |
4 |
0 |
0 |
0.000 |
36 |
|
[MRD]G:1259 |
7 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
30 |
12 |
12226 |
183.2 |
6.7 |
0.621 |
4 |
0 |
0 |
0.000 |
37 |
|
[MRD]H:1257 |
7 |
1 |
282 |
f |
H |
x,y,z |
1_555 |
29 |
12 |
12480 |
183.1 |
6.7 |
0.620 |
4 |
0 |
0 |
0.000 |
38 |
|
[MRD]G:1261 |
7 |
1 |
280 |
f |
G |
x,y,z |
1_555 |
31 |
12 |
12328 |
181.6 |
6.7 |
0.621 |
4 |
0 |
0 |
0.000 |
39 |
|
[MRD]C:1260 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
12233 |
180.3 |
6.6 |
0.651 |
4 |
0 |
0 |
0.000 |
40 |
|
[MRD]E:1260 |
7 |
1 |
281 |
f |
E |
x,y,z |
1_555 |
32 |
12 |
12223 |
180.2 |
6.0 |
0.617 |
4 |
0 |
0 |
0.000 |
Average: |
182.6 |
6.3 |
0.626 |
4 |
0 |
0 |
0.000 |
9 |
41 |
|
H |
19 |
8 |
12480 |
◊ |
F |
x-1,y,z |
1_455 |
24 |
8 |
12197 |
168.2 |
3.9 |
0.913 |
6 |
2 |
0 |
0.000 |
10 |
42 |
|
H |
9 |
1 |
12480 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
12199 |
123.2 |
1.5 |
0.797 |
6 |
0 |
0 |
0.000 |
11 |
43 |
|
C |
13 |
3 |
12233 |
◊ |
G |
x,y-1,z+1 |
1_546 |
14 |
3 |
12328 |
118.1 |
-0.7 |
0.457 |
0 |
0 |
0 |
0.003 |
12 |
44 |
|
[JA3]C:1258 |
12 |
1 |
422 |
f |
[NAP]D:400 |
x,y,z |
1_555 |
17 |
1 |
871 |
104.9 |
0.7 |
0.230 |
2 |
0 |
0 |
0.012 |
45 |
|
[JA3]A:1259 |
13 |
1 |
420 |
f |
[NAP]A:400 |
x,y,z |
1_555 |
17 |
1 |
878 |
104.5 |
0.7 |
0.212 |
1 |
0 |
0 |
0.012 |
46 |
|
[JA3]E:1257 |
12 |
1 |
422 |
f |
[NAP]E:400 |
x,y,z |
1_555 |
18 |
1 |
879 |
104.1 |
0.7 |
0.234 |
1 |
0 |
0 |
0.012 |
47 |
|
[JA3]E:1258 |
12 |
1 |
423 |
f |
[NAP]F:400 |
x,y,z |
1_555 |
17 |
1 |
874 |
103.4 |
0.7 |
0.224 |
1 |
0 |
0 |
0.012 |
48 |
|
[JA3]G:1258 |
12 |
1 |
421 |
f |
[NAP]H:400 |
x,y,z |
1_555 |
17 |
1 |
875 |
103.3 |
0.6 |
0.224 |
2 |
0 |
0 |
0.012 |
49 |
|
[JA3]B:1257 |
12 |
1 |
423 |
f |
[NAP]B:400 |
x,y,z |
1_555 |
17 |
1 |
874 |
103.2 |
0.6 |
0.214 |
1 |
0 |
0 |
0.012 |
50 |
|
[JA3]C:1257 |
12 |
1 |
423 |
f |
[NAP]C:400 |
x,y,z |
1_555 |
17 |
1 |
878 |
103.2 |
0.7 |
0.225 |
1 |
0 |
0 |
0.012 |
51 |
|
[JA3]G:1257 |
12 |
1 |
424 |
f |
[NAP]G:400 |
x,y,z |
1_555 |
17 |
1 |
880 |
102.3 |
0.6 |
0.215 |
2 |
0 |
0 |
0.012 |
Average: |
103.6 |
0.7 |
0.222 |
1 |
0 |
0 |
0.012 |
13 |
52 |
|
E |
10 |
5 |
12223 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
12291 |
89.8 |
2.0 |
0.810 |
1 |
1 |
0 |
0.000 |
53 |
|
F |
9 |
6 |
12197 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
12199 |
86.1 |
1.9 |
0.796 |
0 |
1 |
0 |
0.000 |
54 |
|
A |
13 |
6 |
12199 |
◊ |
G |
x,y-1,z |
1_545 |
9 |
4 |
12328 |
85.7 |
1.1 |
0.751 |
1 |
1 |
0 |
0.000 |
55 |
|
E |
9 |
5 |
12223 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
4 |
12233 |
81.0 |
1.1 |
0.745 |
0 |
1 |
0 |
0.000 |
56 |
|
F |
6 |
3 |
12197 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
6 |
12226 |
66.8 |
0.8 |
0.695 |
0 |
1 |
0 |
0.000 |
57 |
|
B |
5 |
2 |
12291 |
◊ |
H |
x,y-1,z |
1_545 |
9 |
5 |
12480 |
47.9 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
76.2 |
1.2 |
0.740 |
0 |
1 |
0 |
0.000 |
14 |
58 |
|
B |
3 |
1 |
12291 |
◊ |
[NAP]G:400 |
x,y-1,z |
1_545 |
4 |
1 |
880 |
32.6 |
0.6 |
0.738 |
0 |
0 |
0 |
0.000 |
59 |
|
F |
4 |
1 |
12197 |
◊ |
[NAP]C:400 |
x,y,z-1 |
1_554 |
3 |
1 |
878 |
28.4 |
0.7 |
0.747 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAP]E:400 |
1 |
1 |
879 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12199 |
11.4 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
61 |
|
[NAP]F:400 |
1 |
1 |
874 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
12233 |
10.3 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAP]B:400 |
1 |
1 |
874 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
12328 |
9.6 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAP]A:400 |
1 |
1 |
878 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12223 |
9.3 |
0.3 |
0.728 |
0 |
0 |
0 |
0.000 |
Average: |
16.9 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
|