## |
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 |
177 |
47 |
12700 |
◊ |
A |
x,y,z |
1_555 |
179 |
48 |
14160 |
1706.3 |
-10.6 |
0.356 |
25 |
7 |
0 |
0.304 |
2 |
|
D |
176 |
46 |
12765 |
◊ |
C |
x,y,z |
1_555 |
168 |
43 |
14115 |
1633.3 |
-13.0 |
0.273 |
21 |
6 |
0 |
0.304 |
Average: |
1669.8 |
-11.8 |
0.315 |
23 |
7 |
0 |
0.304 |
2 |
3 |
|
M |
67 |
10 |
1606 |
◊ |
D |
x,y,z |
1_555 |
89 |
23 |
12765 |
704.2 |
-6.4 |
0.543 |
8 |
3 |
0 |
0.619 |
4 |
|
L |
64 |
10 |
1615 |
◊ |
B |
x,y,z |
1_555 |
90 |
24 |
12700 |
681.1 |
-4.2 |
0.664 |
7 |
4 |
0 |
0.619 |
Average: |
692.7 |
-5.3 |
0.603 |
8 |
4 |
0 |
0.619 |
3 |
5 |
|
J |
38 |
7 |
1668 |
◊ |
C |
x,y,z |
1_555 |
70 |
21 |
14115 |
485.1 |
-2.8 |
0.633 |
8 |
0 |
0 |
0.116 |
6 |
|
K |
40 |
7 |
1653 |
◊ |
A |
x,y,z |
1_555 |
67 |
19 |
14160 |
462.5 |
-4.1 |
0.535 |
6 |
0 |
0 |
0.116 |
Average: |
473.8 |
-3.5 |
0.584 |
7 |
0 |
0 |
0.116 |
4 |
7 |
|
B |
47 |
13 |
12700 |
◊ |
C |
x,y,z |
1_555 |
50 |
13 |
14115 |
459.1 |
-3.7 |
0.408 |
4 |
1 |
0 |
0.057 |
8 |
|
D |
45 |
13 |
12765 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
14160 |
432.9 |
-3.6 |
0.384 |
3 |
1 |
0 |
0.057 |
Average: |
446.0 |
-3.7 |
0.396 |
4 |
1 |
0 |
0.057 |
5 |
9 |
|
[ADP]A:297 |
27 |
1 |
539 |
f |
A |
x,y,z |
1_555 |
60 |
24 |
14160 |
358.5 |
-6.1 |
0.529 |
6 |
0 |
0 |
0.150 |
10 |
|
[ADP]C:297 |
27 |
1 |
537 |
f |
C |
x,y,z |
1_555 |
59 |
25 |
14115 |
356.7 |
-6.0 |
0.535 |
7 |
0 |
0 |
0.150 |
Average: |
357.6 |
-6.1 |
0.532 |
7 |
0 |
0 |
0.150 |
6 |
11 |
|
A |
38 |
11 |
14160 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
37 |
9 |
12765 |
306.2 |
-1.4 |
0.558 |
6 |
5 |
0 |
0.000 |
12 |
|
B |
37 |
9 |
12700 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
39 |
11 |
14115 |
303.2 |
-1.4 |
0.558 |
5 |
4 |
0 |
0.000 |
Average: |
304.7 |
-1.4 |
0.558 |
6 |
5 |
0 |
0.000 |
7 |
13 |
|
L |
24 |
6 |
1615 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
29 |
10 |
14115 |
268.2 |
-0.7 |
0.625 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
24 |
8 |
14160 |
◊ |
M |
-x,y-1/2,-z-1 |
2_544 |
23 |
6 |
1606 |
240.9 |
0.2 |
0.678 |
2 |
0 |
0 |
0.000 |
Average: |
254.6 |
-0.2 |
0.651 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
D |
25 |
12 |
12765 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
9 |
14115 |
221.7 |
-2.7 |
0.353 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
23 |
8 |
14160 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
10 |
12700 |
199.2 |
-2.6 |
0.332 |
0 |
0 |
0 |
0.000 |
Average: |
210.4 |
-2.7 |
0.342 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
23 |
8 |
12700 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
12765 |
185.5 |
-0.2 |
0.667 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
J |
17 |
4 |
1668 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
12765 |
152.1 |
-0.7 |
0.511 |
3 |
0 |
0 |
0.024 |
19 |
|
K |
14 |
4 |
1653 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12700 |
145.3 |
-1.0 |
0.483 |
2 |
0 |
0 |
0.024 |
Average: |
148.7 |
-0.8 |
0.497 |
3 |
0 |
0 |
0.024 |
11 |
20 |
|
A |
17 |
7 |
14160 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
11 |
3 |
1668 |
147.9 |
1.2 |
0.781 |
0 |
0 |
0 |
0.000 |
21 |
|
K |
8 |
2 |
1653 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
5 |
14115 |
130.6 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
139.3 |
0.8 |
0.741 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[GOL]B:1 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
12700 |
133.2 |
-0.6 |
0.570 |
6 |
0 |
0 |
0.045 |
13 |
23 |
|
[GOL]C:302 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
14115 |
133.1 |
-0.0 |
0.586 |
4 |
0 |
0 |
0.024 |
14 |
24 |
|
[GOL]D:5 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
12765 |
132.7 |
-0.9 |
0.478 |
4 |
0 |
0 |
0.158 |
15 |
25 |
|
[GOL]B:3 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
12700 |
126.2 |
0.2 |
0.650 |
3 |
0 |
0 |
0.016 |
16 |
26 |
|
[GOL]D:15 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
12765 |
125.3 |
-0.0 |
0.564 |
2 |
0 |
0 |
0.054 |
17 |
27 |
|
[GOL]B:6 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
12700 |
123.3 |
-0.4 |
0.538 |
2 |
0 |
0 |
0.018 |
18 |
28 |
|
[GOL]C:303 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
14115 |
116.9 |
-1.1 |
0.433 |
0 |
0 |
0 |
0.014 |
19 |
29 |
|
[GOL]A:304 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
14160 |
114.3 |
0.1 |
0.627 |
5 |
0 |
0 |
0.036 |
20 |
30 |
|
[GOL]A:302 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
14160 |
112.7 |
-0.1 |
0.552 |
5 |
0 |
0 |
0.039 |
21 |
31 |
|
[GOL]D:7 |
6 |
1 |
224 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
12765 |
112.1 |
-0.6 |
0.518 |
3 |
0 |
0 |
0.114 |
22 |
32 |
|
[GOL]K:12 |
6 |
1 |
216 |
f |
C |
-x,y-1/2,-z |
2_545 |
13 |
5 |
14115 |
111.1 |
-0.7 |
0.467 |
0 |
0 |
0 |
0.009 |
23 |
33 |
|
[GOL]D:2 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
12765 |
108.9 |
0.0 |
0.647 |
1 |
0 |
0 |
0.024 |
24 |
34 |
|
B |
16 |
5 |
12700 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
14115 |
108.8 |
-2.6 |
0.217 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[GOL]B:8 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
12700 |
107.7 |
0.4 |
0.676 |
3 |
0 |
0 |
0.013 |
26 |
36 |
|
[GOL]B:16 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12700 |
99.5 |
0.4 |
0.709 |
2 |
0 |
0 |
0.007 |
27 |
37 |
|
[GOL]D:13 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
12765 |
98.6 |
0.1 |
0.552 |
2 |
0 |
0 |
0.047 |
28 |
38 |
|
[GOL]A:303 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14160 |
89.9 |
-0.6 |
0.482 |
3 |
0 |
0 |
0.033 |
29 |
39 |
|
[GOL]A:305 |
6 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
12765 |
88.3 |
-1.0 |
0.408 |
0 |
0 |
0 |
0.005 |
30 |
40 |
|
[MGF]A:300 |
4 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
14160 |
87.0 |
2.1 |
0.883 |
4 |
0 |
0 |
0.000 |
41 |
|
[MGF]C:300 |
4 |
1 |
196 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
14115 |
86.1 |
2.0 |
0.880 |
4 |
0 |
0 |
0.000 |
Average: |
86.5 |
2.1 |
0.882 |
4 |
0 |
0 |
0.000 |
31 |
42 |
|
L |
8 |
2 |
1615 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
1653 |
78.9 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
43 |
|
M |
7 |
2 |
1606 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1668 |
65.0 |
1.0 |
0.739 |
1 |
0 |
0 |
0.000 |
Average: |
72.0 |
0.5 |
0.679 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
14115 |
70.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.197 |
45 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14160 |
69.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
70.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.197 |
33 |
46 |
|
A |
9 |
2 |
14160 |
◊ |
L |
x,y,z-1 |
1_554 |
7 |
3 |
1615 |
65.9 |
-1.7 |
0.318 |
0 |
0 |
0 |
0.000 |
47 |
|
M |
9 |
4 |
1606 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
2 |
14115 |
61.3 |
-0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
Average: |
63.6 |
-1.0 |
0.368 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[GOL]A:303 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12700 |
63.0 |
-0.2 |
0.408 |
1 |
0 |
0 |
0.008 |
35 |
49 |
|
[GOL]A:305 |
4 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14160 |
59.6 |
0.3 |
0.696 |
3 |
0 |
0 |
0.018 |
36 |
50 |
|
[MGF]C:300 |
4 |
1 |
196 |
◊ |
J |
x,y,z |
1_555 |
9 |
2 |
1668 |
42.1 |
0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
51 |
|
[MGF]A:300 |
4 |
1 |
195 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
1653 |
41.5 |
0.3 |
0.482 |
0 |
0 |
0 |
0.000 |
Average: |
41.8 |
0.4 |
0.497 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[GOL]A:302 |
3 |
1 |
218 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
12700 |
38.5 |
0.0 |
0.572 |
1 |
0 |
0 |
0.000 |
38 |
53 |
|
[GOL]A:305 |
2 |
1 |
216 |
f |
[GOL]A:304 |
x,y,z |
1_555 |
4 |
1 |
221 |
36.4 |
-0.5 |
0.476 |
1 |
0 |
0 |
0.016 |
39 |
54 |
|
[MGF]C:300 |
4 |
1 |
196 |
f |
[ADP]C:297 |
x,y,z |
1_555 |
5 |
1 |
537 |
35.7 |
-1.7 |
0.324 |
1 |
0 |
0 |
0.035 |
55 |
|
[MGF]A:300 |
4 |
1 |
195 |
f |
[ADP]A:297 |
x,y,z |
1_555 |
5 |
1 |
539 |
34.2 |
-1.6 |
0.339 |
1 |
0 |
0 |
0.035 |
Average: |
35.0 |
-1.7 |
0.332 |
1 |
0 |
0 |
0.035 |
40 |
56 |
|
[MG]A:298 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14160 |
35.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.078 |
57 |
|
[MG]C:298 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
14115 |
34.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
35.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.078 |
41 |
58 |
|
[MG]C:299 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
14115 |
31.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.064 |
59 |
|
[MG]A:299 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14160 |
30.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.064 |
42 |
60 |
|
[GOL]K:12 |
2 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
1653 |
28.7 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
[MG]A:299 |
1 |
1 |
98 |
f |
[ADP]A:297 |
x,y,z |
1_555 |
6 |
1 |
539 |
27.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.071 |
62 |
|
[MG]C:299 |
1 |
1 |
98 |
f |
[ADP]C:297 |
x,y,z |
1_555 |
5 |
1 |
537 |
26.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
27.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.071 |
44 |
63 |
|
[GOL]A:304 |
5 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12765 |
27.6 |
-0.7 |
0.270 |
0 |
0 |
0 |
0.004 |
45 |
64 |
|
C |
6 |
2 |
14115 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14160 |
27.5 |
0.6 |
0.781 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[GOL]A:303 |
2 |
1 |
218 |
◊ |
K |
x,y,z |
1_555 |
7 |
2 |
1653 |
27.1 |
-0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[GOL]B:16 |
3 |
1 |
217 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
1615 |
24.1 |
0.7 |
0.772 |
1 |
0 |
0 |
0.000 |
48 |
67 |
|
[MG]C:298 |
1 |
1 |
98 |
f |
[ADP]C:297 |
x,y,z |
1_555 |
5 |
1 |
537 |
22.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
68 |
|
[MG]A:298 |
1 |
1 |
98 |
f |
[ADP]A:297 |
x,y,z |
1_555 |
5 |
1 |
539 |
22.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
22.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
49 |
69 |
|
[GOL]D:13 |
1 |
1 |
218 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
1606 |
20.1 |
0.7 |
0.635 |
1 |
0 |
0 |
0.000 |
50 |
70 |
|
[MGF]C:300 |
4 |
1 |
196 |
f |
[MG]C:299 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
71 |
|
[MGF]A:300 |
4 |
1 |
195 |
f |
[MG]A:299 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
18.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.032 |
51 |
72 |
|
[MGF]C:300 |
3 |
1 |
196 |
f |
[MG]C:298 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
73 |
|
[MGF]A:300 |
3 |
1 |
195 |
f |
[MG]A:298 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
18.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
52 |
74 |
|
[GOL]C:303 |
2 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12765 |
17.0 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
53 |
75 |
|
[MG]C:299 |
1 |
1 |
98 |
f |
[MG]C:298 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.021 |
54 |
76 |
|
[MG]A:299 |
1 |
1 |
98 |
f |
[MG]A:298 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.025 |
55 |
77 |
|
[MG]A:298 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
1653 |
7.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
78 |
|
[MG]C:298 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1668 |
6.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
6.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
79 |
|
[MG]C:299 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
1668 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
80 |
|
[MG]A:299 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
1653 |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
57 |
81 |
|
[ADP]C:297 |
1 |
1 |
537 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
1668 |
3.1 |
-0.1 |
0.481 |
0 |
0 |
0 |
0.003 |
82 |
|
[ADP]A:297 |
1 |
1 |
539 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
1653 |
3.1 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.003 |
Average: |
3.1 |
-0.2 |
0.486 |
0 |
0 |
0 |
0.003 |
58 |
83 |
|
[GOL]B:3 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14115 |
1.8 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
59 |
84 |
|
[GOL]D:13 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14160 |
0.7 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
60 |
85 |
|
M |
1 |
1 |
1606 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14115 |
0.3 |
-0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
61 |
86 |
|
[GOL]D:15 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14160 |
0.2 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
|