| ## |
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 |
81 |
23 |
13735 |
◊ |
C |
y-1,x,-z |
4_455 |
78 |
23 |
13752 |
861.8 |
-13.9 |
0.033 |
10 |
10 |
0 |
0.194 |
2 |
|
A |
80 |
23 |
13752 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
81 |
23 |
13625 |
849.5 |
-12.5 |
0.064 |
11 |
10 |
0 |
0.194 |
| Average: |
855.6 |
-13.2 |
0.048 |
11 |
10 |
0 |
0.194 |
| 2 |
3 |
|
A |
65 |
21 |
13752 |
◊ |
C |
-x+1,-x+y,-z+1/3 |
6_655 |
64 |
21 |
13752 |
631.6 |
0.8 |
0.837 |
9 |
10 |
0 |
0.022 |
| 3 |
4 |
|
A |
52 |
18 |
13752 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
51 |
18 |
13752 |
431.6 |
-0.3 |
0.754 |
10 |
0 |
0 |
0.000 |
| 4 |
5 |
|
C |
49 |
17 |
13752 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
44 |
15 |
13625 |
381.6 |
-3.1 |
0.451 |
0 |
1 |
0 |
0.016 |
| 5 |
6 |
|
B |
43 |
11 |
13625 |
◊ |
D |
y-1,x,-z |
4_455 |
49 |
13 |
13735 |
371.3 |
-1.7 |
0.624 |
5 |
1 |
0 |
0.000 |
| 6 |
7 |
|
B |
35 |
12 |
13625 |
◊ |
C |
y-1,x,-z |
4_455 |
34 |
11 |
13752 |
326.4 |
-3.4 |
0.331 |
1 |
0 |
0 |
0.030 |
8 |
|
A |
32 |
9 |
13752 |
◊ |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
39 |
12 |
13735 |
300.7 |
-2.6 |
0.442 |
0 |
0 |
0 |
0.030 |
| Average: |
313.6 |
-3.0 |
0.386 |
1 |
0 |
0 |
0.030 |
| 7 |
9 |
|
[JF1]A:405 |
14 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
50 |
18 |
13752 |
265.0 |
-6.6 |
0.560 |
0 |
0 |
0 |
0.136 |
10 |
|
[JF1]B:405 |
14 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
45 |
18 |
13625 |
264.4 |
-6.6 |
0.572 |
0 |
0 |
0 |
0.136 |
11 |
|
[JF1]C:405 |
14 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
50 |
19 |
13752 |
263.4 |
-6.7 |
0.529 |
0 |
0 |
0 |
0.136 |
12 |
|
[JF1]D:405 |
14 |
1 |
400 |
f |
D |
x,y,z |
1_555 |
50 |
18 |
13735 |
261.3 |
-6.6 |
0.564 |
0 |
0 |
0 |
0.136 |
| Average: |
263.6 |
-6.6 |
0.556 |
0 |
0 |
0 |
0.136 |
| 8 |
13 |
|
B |
34 |
9 |
13625 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
13752 |
260.3 |
-1.3 |
0.591 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
17 |
7 |
13735 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13625 |
140.2 |
0.1 |
0.714 |
1 |
1 |
0 |
0.002 |
| 10 |
15 |
|
[POP]D:401 |
9 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
27 |
14 |
13735 |
126.5 |
-0.4 |
0.597 |
10 |
0 |
0 |
0.048 |
| 11 |
16 |
|
[POP]B:401 |
9 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
13625 |
123.7 |
0.0 |
0.629 |
8 |
0 |
0 |
0.036 |
| 12 |
17 |
|
[POP]A:401 |
9 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
13752 |
122.2 |
0.3 |
0.616 |
8 |
0 |
0 |
0.034 |
| 13 |
18 |
|
[POP]C:401 |
9 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
13752 |
122.2 |
-0.1 |
0.605 |
9 |
0 |
0 |
0.040 |
| 14 |
19 |
|
A |
19 |
9 |
13752 |
f |
[GOL]C:406 |
-x+1,-x+y,-z+1/3 |
6_655 |
5 |
1 |
217 |
109.5 |
-1.0 |
0.477 |
1 |
0 |
0 |
0.014 |
| 15 |
20 |
|
[GOL]C:407 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
13752 |
95.7 |
-0.2 |
0.542 |
1 |
0 |
0 |
0.006 |
| 16 |
21 |
|
[GOL]A:406 |
5 |
1 |
219 |
f |
C |
-x+1,-x+y,-z+1/3 |
6_655 |
12 |
5 |
13752 |
92.8 |
-0.5 |
0.495 |
3 |
0 |
0 |
0.018 |
| 17 |
22 |
|
[GOL]A:406 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13752 |
69.3 |
0.3 |
0.607 |
2 |
0 |
0 |
0.003 |
| 18 |
23 |
|
[GOL]C:407 |
6 |
1 |
221 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
13 |
4 |
13625 |
66.4 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[GOL]C:406 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13752 |
64.3 |
0.6 |
0.747 |
3 |
0 |
0 |
0.003 |
| 20 |
25 |
|
C |
5 |
2 |
13752 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13625 |
59.5 |
2.2 |
0.933 |
2 |
2 |
0 |
0.000 |
| 21 |
26 |
|
A |
10 |
4 |
13752 |
◊ |
D |
y-1,x,-z |
4_455 |
9 |
4 |
13735 |
51.8 |
0.6 |
0.768 |
2 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[JF1]D:405 |
5 |
1 |
400 |
f |
[POP]D:401 |
x,y,z |
1_555 |
6 |
1 |
265 |
45.4 |
-1.0 |
0.725 |
0 |
0 |
0 |
0.010 |
| 23 |
28 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
13735 |
44.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.091 |
29 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13625 |
43.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.091 |
30 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
13752 |
43.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.091 |
31 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13752 |
43.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
43.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.091 |
| 24 |
32 |
|
[JF1]C:405 |
5 |
1 |
397 |
f |
[POP]C:401 |
x,y,z |
1_555 |
7 |
1 |
260 |
43.7 |
-0.8 |
0.778 |
0 |
0 |
0 |
0.008 |
| 25 |
33 |
|
[JF1]B:405 |
5 |
1 |
401 |
f |
[POP]B:401 |
x,y,z |
1_555 |
6 |
1 |
260 |
42.4 |
-0.6 |
0.758 |
0 |
0 |
0 |
0.007 |
| 26 |
34 |
|
[JF1]A:405 |
6 |
1 |
400 |
f |
[POP]A:401 |
x,y,z |
1_555 |
6 |
1 |
260 |
42.4 |
-0.4 |
0.807 |
0 |
0 |
0 |
0.004 |
| 27 |
35 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13625 |
37.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.132 |
36 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
13752 |
37.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.132 |
37 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
13735 |
37.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.132 |
38 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13752 |
36.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.132 |
39 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
13735 |
34.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
36.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.132 |
| 28 |
40 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
13752 |
34.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.114 |
41 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
13625 |
34.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.114 |
42 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
13752 |
33.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.114 |
| Average: |
34.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.114 |
| 29 |
43 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[POP]A:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
28.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.079 |
44 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[POP]B:401 |
x,y,z |
1_555 |
5 |
1 |
260 |
28.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
45 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[POP]C:401 |
x,y,z |
1_555 |
5 |
1 |
260 |
27.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
27.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.079 |
| 30 |
46 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[POP]D:401 |
x,y,z |
1_555 |
6 |
1 |
265 |
27.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[POP]A:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
27.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.063 |
48 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[POP]B:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.063 |
49 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[POP]C:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
26.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
27.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 31 |
50 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[POP]D:401 |
x,y,z |
1_555 |
4 |
1 |
265 |
26.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 32 |
51 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[POP]B:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
23.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.047 |
52 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[POP]A:401 |
x,y,z |
1_555 |
3 |
1 |
260 |
23.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.047 |
53 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[POP]C:401 |
x,y,z |
1_555 |
4 |
1 |
260 |
22.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
22.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.047 |
| 33 |
54 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
[POP]D:401 |
x,y,z |
1_555 |
4 |
1 |
265 |
22.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 34 |
55 |
|
D |
1 |
1 |
13735 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
13752 |
17.3 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
| 35 |
56 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 36 |
57 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 37 |
58 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.028 |
| 38 |
59 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 39 |
60 |
|
[JF1]C:405 |
2 |
1 |
397 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.018 |
61 |
|
[JF1]A:405 |
2 |
1 |
400 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.018 |
62 |
|
[JF1]B:405 |
2 |
1 |
401 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.018 |
63 |
|
[JF1]D:405 |
2 |
1 |
400 |
f |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
8.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 40 |
64 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 41 |
65 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[MG]D:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 42 |
66 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 43 |
67 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 44 |
68 |
|
[JF1]C:405 |
2 |
1 |
397 |
f |
[MG]C:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
69 |
|
[JF1]D:405 |
2 |
1 |
400 |
f |
[MG]D:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
70 |
|
[JF1]A:405 |
2 |
1 |
400 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
71 |
|
[JF1]B:405 |
2 |
1 |
401 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 45 |
72 |
|
[JF1]D:405 |
1 |
1 |
400 |
f |
[MG]D:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
73 |
|
[JF1]C:405 |
1 |
1 |
397 |
f |
[MG]C:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|