## |
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 |
|
C |
167 |
47 |
12906 |
◊ |
B |
x,y,z |
1_555 |
156 |
43 |
12954 |
1649.4 |
-22.6 |
0.088 |
21 |
10 |
0 |
0.551 |
2 |
|
C |
156 |
42 |
12906 |
◊ |
A |
x,y,z |
1_555 |
172 |
46 |
12946 |
1648.5 |
-22.7 |
0.083 |
18 |
10 |
0 |
0.551 |
3 |
|
F |
174 |
47 |
13077 |
◊ |
E |
x,y,z |
1_555 |
161 |
44 |
12921 |
1625.7 |
-20.6 |
0.148 |
20 |
10 |
0 |
0.551 |
4 |
|
B |
175 |
45 |
12954 |
◊ |
A |
x,y,z |
1_555 |
155 |
43 |
12946 |
1623.0 |
-23.2 |
0.076 |
18 |
9 |
0 |
0.551 |
5 |
|
F |
155 |
42 |
13077 |
◊ |
D |
x,y,z |
1_555 |
177 |
46 |
12830 |
1621.1 |
-22.0 |
0.107 |
19 |
9 |
0 |
0.551 |
6 |
|
E |
169 |
44 |
12921 |
◊ |
D |
x,y,z |
1_555 |
159 |
43 |
12830 |
1615.8 |
-22.6 |
0.092 |
19 |
9 |
0 |
0.551 |
Average: |
1630.6 |
-22.3 |
0.099 |
19 |
10 |
0 |
0.551 |
2 |
7 |
|
F |
131 |
32 |
13077 |
◊ |
A |
x,y,z |
1_555 |
121 |
30 |
12946 |
1208.6 |
-2.6 |
0.832 |
20 |
8 |
0 |
0.252 |
8 |
|
E |
120 |
30 |
12921 |
◊ |
B |
x,y,z |
1_555 |
125 |
31 |
12954 |
1145.2 |
-5.9 |
0.692 |
19 |
9 |
0 |
0.252 |
9 |
|
D |
119 |
29 |
12830 |
◊ |
C |
x,y,z |
1_555 |
115 |
29 |
12906 |
1062.9 |
-9.1 |
0.495 |
14 |
2 |
0 |
0.252 |
Average: |
1138.9 |
-5.9 |
0.673 |
18 |
6 |
0 |
0.252 |
3 |
10 |
|
[KGP]C:302 |
49 |
1 |
982 |
f |
C |
x,y,z |
1_555 |
75 |
28 |
12906 |
468.7 |
-2.7 |
0.784 |
7 |
0 |
0 |
0.094 |
4 |
11 |
|
[KGP]F:302 |
48 |
1 |
971 |
f |
F |
x,y,z |
1_555 |
68 |
26 |
13077 |
467.1 |
-6.6 |
0.512 |
6 |
0 |
0 |
0.151 |
12 |
|
[KGP]E:303 |
48 |
1 |
973 |
f |
E |
x,y,z |
1_555 |
77 |
27 |
12921 |
460.7 |
-5.9 |
0.630 |
6 |
0 |
0 |
0.151 |
13 |
|
[KGP]D:302 |
47 |
1 |
983 |
f |
D |
x,y,z |
1_555 |
69 |
25 |
12830 |
450.0 |
-5.5 |
0.589 |
7 |
0 |
0 |
0.151 |
14 |
|
[KGP]A:302 |
47 |
1 |
968 |
f |
A |
x,y,z |
1_555 |
77 |
27 |
12946 |
436.8 |
-5.9 |
0.613 |
7 |
0 |
0 |
0.151 |
Average: |
453.7 |
-6.0 |
0.586 |
7 |
0 |
0 |
0.151 |
5 |
15 |
|
[KGP]B:302 |
46 |
1 |
983 |
f |
B |
x,y,z |
1_555 |
74 |
27 |
12954 |
464.8 |
-5.1 |
0.577 |
6 |
0 |
0 |
0.113 |
6 |
16 |
|
[YZS]C:301 |
49 |
1 |
977 |
f |
C |
x,y,z |
1_555 |
74 |
28 |
12906 |
463.5 |
-2.7 |
0.783 |
7 |
0 |
0 |
0.094 |
7 |
17 |
|
[YZS]B:301 |
46 |
1 |
980 |
f |
B |
x,y,z |
1_555 |
75 |
27 |
12954 |
454.9 |
-5.3 |
0.576 |
6 |
0 |
0 |
0.224 |
18 |
|
[YZS]F:301 |
49 |
1 |
965 |
f |
F |
x,y,z |
1_555 |
67 |
26 |
13077 |
446.6 |
-6.4 |
0.518 |
7 |
0 |
0 |
0.224 |
19 |
|
[YZS]D:301 |
47 |
1 |
979 |
f |
D |
x,y,z |
1_555 |
69 |
25 |
12830 |
442.1 |
-5.0 |
0.596 |
7 |
0 |
0 |
0.224 |
20 |
|
[YZS]E:302 |
48 |
1 |
973 |
f |
E |
x,y,z |
1_555 |
77 |
27 |
12921 |
437.1 |
-4.9 |
0.641 |
6 |
0 |
0 |
0.224 |
21 |
|
[YZS]A:301 |
47 |
1 |
965 |
f |
A |
x,y,z |
1_555 |
77 |
27 |
12946 |
423.1 |
-5.7 |
0.614 |
7 |
0 |
0 |
0.224 |
Average: |
440.8 |
-5.4 |
0.589 |
7 |
0 |
0 |
0.224 |
8 |
22 |
|
[KGP]A:302 |
51 |
1 |
968 |
f |
[YZS]A:301 |
x,y,z |
1_555 |
50 |
1 |
965 |
443.6 |
-10.1 |
0.763 |
2 |
0 |
0 |
0.298 |
23 |
|
[KGP]D:302 |
52 |
1 |
983 |
f |
[YZS]D:301 |
x,y,z |
1_555 |
49 |
1 |
979 |
436.6 |
-8.6 |
0.851 |
2 |
0 |
0 |
0.298 |
24 |
|
[KGP]B:302 |
52 |
1 |
983 |
f |
[YZS]B:301 |
x,y,z |
1_555 |
49 |
1 |
980 |
434.6 |
-9.6 |
0.776 |
2 |
0 |
0 |
0.298 |
25 |
|
[KGP]F:302 |
51 |
1 |
971 |
f |
[YZS]F:301 |
x,y,z |
1_555 |
55 |
1 |
965 |
404.7 |
-9.0 |
0.892 |
2 |
0 |
0 |
0.298 |
26 |
|
[KGP]E:303 |
52 |
1 |
973 |
f |
[YZS]E:302 |
x,y,z |
1_555 |
52 |
1 |
973 |
403.3 |
-8.4 |
0.839 |
2 |
0 |
0 |
0.298 |
27 |
|
[KGP]C:302 |
50 |
1 |
982 |
f |
[YZS]C:301 |
x,y,z |
1_555 |
51 |
1 |
977 |
398.9 |
-8.0 |
0.838 |
2 |
0 |
0 |
0.298 |
Average: |
420.3 |
-9.0 |
0.827 |
2 |
0 |
0 |
0.298 |
9 |
28 |
|
C |
43 |
12 |
12906 |
◊ |
D |
x-1,y,z |
1_455 |
42 |
10 |
12830 |
378.4 |
-3.6 |
0.461 |
1 |
1 |
0 |
0.000 |
10 |
29 |
|
B |
31 |
9 |
12954 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
32 |
10 |
12946 |
280.5 |
-2.2 |
0.528 |
3 |
2 |
0 |
0.000 |
11 |
30 |
|
A |
31 |
13 |
12946 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
35 |
9 |
12921 |
271.3 |
-0.3 |
0.753 |
3 |
1 |
0 |
0.000 |
12 |
31 |
|
C |
26 |
8 |
12906 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
30 |
8 |
13077 |
238.6 |
1.9 |
0.895 |
5 |
6 |
0 |
0.000 |
13 |
32 |
|
F |
27 |
6 |
13077 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
32 |
9 |
12830 |
237.6 |
-2.4 |
0.495 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
[YZS]C:303 |
22 |
1 |
623 |
◊ |
C |
x,y,z |
1_555 |
28 |
12 |
12906 |
222.3 |
1.5 |
0.553 |
5 |
0 |
0 |
0.000 |
34 |
|
[YZS]F:303 |
23 |
1 |
603 |
◊ |
F |
x,y,z |
1_555 |
28 |
13 |
13077 |
211.6 |
0.9 |
0.628 |
2 |
0 |
0 |
0.000 |
35 |
|
[YZS]E:304 |
20 |
1 |
607 |
◊ |
E |
x,y,z |
1_555 |
27 |
12 |
12921 |
204.8 |
1.5 |
0.590 |
4 |
0 |
0 |
0.000 |
Average: |
212.9 |
1.3 |
0.591 |
4 |
0 |
0 |
0.000 |
15 |
36 |
|
F |
21 |
6 |
13077 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
22 |
6 |
12921 |
178.6 |
2.5 |
0.913 |
4 |
2 |
0 |
0.000 |
16 |
37 |
|
C |
21 |
6 |
12906 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
12830 |
167.9 |
-0.7 |
0.606 |
3 |
0 |
0 |
0.000 |
17 |
38 |
|
D |
14 |
4 |
12830 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
21 |
8 |
12830 |
138.7 |
-1.8 |
0.443 |
1 |
0 |
0 |
0.000 |
18 |
39 |
|
[IMD]D:303 |
5 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
12830 |
112.1 |
2.8 |
0.260 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
C |
9 |
2 |
12906 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
12946 |
74.3 |
0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
3 |
3 |
12906 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
12921 |
24.0 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
Average: |
49.2 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
F |
6 |
3 |
13077 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12906 |
60.2 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.004 |
43 |
|
E |
6 |
3 |
12921 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12946 |
59.4 |
-0.6 |
0.437 |
0 |
0 |
0 |
0.004 |
44 |
|
D |
6 |
3 |
12830 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12954 |
58.2 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.004 |
Average: |
59.3 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.004 |
21 |
45 |
|
[YZS]E:304 |
7 |
1 |
607 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
12830 |
52.6 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
46 |
|
[YZS]C:303 |
6 |
1 |
623 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12954 |
46.8 |
-0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
47 |
|
[YZS]F:303 |
6 |
1 |
603 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
12921 |
43.4 |
-0.4 |
0.559 |
0 |
0 |
0 |
0.000 |
Average: |
47.6 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
22 |
48 |
|
C |
8 |
2 |
12906 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
12954 |
41.6 |
1.2 |
0.771 |
1 |
0 |
0 |
0.000 |
49 |
|
A |
2 |
1 |
12946 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12921 |
2.3 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
Average: |
22.0 |
0.6 |
0.640 |
1 |
0 |
0 |
0.000 |
23 |
50 |
|
A |
4 |
1 |
12946 |
f |
[YZS]E:304 |
x-1,y,z |
1_455 |
3 |
1 |
607 |
41.0 |
-2.8 |
0.168 |
0 |
0 |
0 |
0.016 |
24 |
51 |
|
C |
4 |
2 |
12906 |
f |
[IMD]D:303 |
x-1,y,z |
1_455 |
3 |
1 |
197 |
34.9 |
0.4 |
0.118 |
0 |
0 |
0 |
0.000 |
25 |
52 |
|
[NI]E:301 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
13077 |
34.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.056 |
53 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12954 |
34.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
54 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12946 |
34.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
55 |
|
[NI]E:301 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12921 |
33.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.056 |
56 |
|
[NI]E:301 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
12830 |
33.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.056 |
57 |
|
[NI]A:303 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12906 |
33.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
33.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
58 |
|
[KGP]C:302 |
5 |
1 |
982 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
12954 |
32.0 |
-1.3 |
0.479 |
0 |
0 |
0 |
0.000 |
27 |
59 |
|
[YZS]C:301 |
5 |
1 |
977 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
12954 |
31.7 |
-1.3 |
0.474 |
0 |
0 |
0 |
0.000 |
28 |
60 |
|
[YZS]C:303 |
3 |
1 |
623 |
f |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
12954 |
26.8 |
-2.0 |
0.245 |
0 |
0 |
0 |
0.029 |
29 |
61 |
|
F |
4 |
3 |
13077 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12954 |
26.0 |
0.7 |
0.857 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
2 |
2 |
12830 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12946 |
9.9 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
63 |
|
E |
2 |
2 |
12921 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12906 |
8.0 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.4 |
0.817 |
0 |
0 |
0 |
0.000 |
30 |
64 |
|
[KGP]A:302 |
3 |
1 |
968 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12921 |
25.9 |
-0.8 |
0.450 |
0 |
0 |
0 |
0.000 |
31 |
65 |
|
[YZS]A:301 |
3 |
1 |
965 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
12921 |
25.4 |
-0.7 |
0.451 |
0 |
0 |
0 |
0.000 |
32 |
66 |
|
A |
5 |
3 |
12946 |
◊ |
[KGP]E:303 |
x-1,y,z |
1_455 |
2 |
1 |
973 |
21.3 |
-0.8 |
0.427 |
0 |
0 |
0 |
0.000 |
33 |
67 |
|
A |
5 |
3 |
12946 |
◊ |
[YZS]E:302 |
x-1,y,z |
1_455 |
2 |
1 |
973 |
20.5 |
-0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
34 |
68 |
|
[YZS]F:303 |
6 |
1 |
603 |
◊ |
[KGP]F:302 |
x,y,z |
1_555 |
2 |
1 |
971 |
15.3 |
-0.5 |
0.449 |
0 |
0 |
0 |
0.000 |
69 |
|
[YZS]C:303 |
1 |
1 |
623 |
◊ |
[KGP]C:302 |
x,y,z |
1_555 |
1 |
1 |
982 |
0.5 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
7.9 |
-0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
35 |
70 |
|
F |
3 |
2 |
13077 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
12954 |
15.0 |
-0.3 |
0.303 |
0 |
0 |
0 |
0.000 |
36 |
71 |
|
[YZS]F:303 |
7 |
1 |
603 |
◊ |
[YZS]F:301 |
x,y,z |
1_555 |
2 |
1 |
965 |
11.9 |
-0.6 |
0.461 |
0 |
0 |
0 |
0.000 |
72 |
|
[YZS]C:303 |
1 |
1 |
623 |
◊ |
[YZS]C:301 |
x,y,z |
1_555 |
1 |
1 |
977 |
0.6 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
6.2 |
-0.3 |
0.415 |
0 |
0 |
0 |
0.000 |
37 |
73 |
|
[YZS]E:304 |
4 |
1 |
607 |
◊ |
[KGP]E:303 |
x,y,z |
1_555 |
2 |
1 |
973 |
9.7 |
-0.7 |
0.432 |
0 |
0 |
0 |
0.000 |
38 |
74 |
|
[YZS]E:304 |
4 |
1 |
607 |
◊ |
[YZS]E:302 |
x,y,z |
1_555 |
2 |
1 |
973 |
9.4 |
-0.6 |
0.425 |
0 |
0 |
0 |
0.000 |
39 |
75 |
|
[KGP]A:302 |
2 |
1 |
968 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
13077 |
4.4 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
40 |
76 |
|
[YZS]A:301 |
2 |
1 |
965 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
13077 |
4.3 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
41 |
77 |
|
A |
1 |
1 |
12946 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
13077 |
3.7 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
42 |
78 |
|
[KGP]A:302 |
1 |
1 |
968 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12921 |
1.8 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
43 |
79 |
|
[YZS]C:303 |
2 |
1 |
623 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
12946 |
1.8 |
0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
44 |
80 |
|
[YZS]A:301 |
1 |
1 |
965 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12921 |
1.8 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
|