## |
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 |
|
F |
152 |
40 |
11228 |
◊ |
E |
x,y,z |
1_555 |
161 |
44 |
11183 |
1555.9 |
-20.0 |
0.151 |
23 |
8 |
0 |
0.457 |
2 |
|
D |
152 |
40 |
11195 |
◊ |
C |
x,y,z |
1_555 |
157 |
41 |
11843 |
1554.7 |
-20.9 |
0.151 |
24 |
8 |
0 |
0.457 |
3 |
|
B |
154 |
40 |
11288 |
◊ |
A |
x,y,z |
1_555 |
156 |
43 |
11196 |
1552.4 |
-20.7 |
0.112 |
23 |
8 |
0 |
0.457 |
4 |
|
H |
153 |
40 |
11244 |
◊ |
G |
x,y,z |
1_555 |
157 |
40 |
11314 |
1538.3 |
-20.5 |
0.182 |
23 |
8 |
0 |
0.457 |
Average: |
1550.3 |
-20.5 |
0.149 |
23 |
8 |
0 |
0.457 |
2 |
5 |
|
C |
47 |
12 |
11843 |
◊ |
H |
-y,x+1,z-1/4 |
3_564 |
54 |
15 |
11244 |
494.0 |
-4.8 |
0.324 |
5 |
3 |
0 |
0.000 |
3 |
6 |
|
F |
51 |
12 |
11228 |
◊ |
B |
x,y,z |
1_555 |
48 |
10 |
11288 |
436.1 |
-0.2 |
0.768 |
10 |
3 |
0 |
0.000 |
7 |
|
D |
46 |
12 |
11195 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
46 |
10 |
11314 |
411.8 |
-3.8 |
0.475 |
7 |
0 |
0 |
0.000 |
Average: |
424.0 |
-2.0 |
0.622 |
9 |
2 |
0 |
0.000 |
4 |
8 |
|
F |
54 |
16 |
11228 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
11843 |
408.9 |
-0.8 |
0.755 |
2 |
1 |
0 |
0.000 |
9 |
|
A |
43 |
16 |
11196 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
42 |
14 |
11314 |
369.6 |
-3.1 |
0.446 |
1 |
0 |
0 |
0.000 |
Average: |
389.2 |
-1.9 |
0.601 |
2 |
1 |
0 |
0.000 |
5 |
10 |
|
E |
41 |
15 |
11183 |
◊ |
B |
-y,x,z-1/4 |
3_554 |
42 |
16 |
11288 |
356.8 |
1.6 |
0.857 |
5 |
5 |
0 |
0.000 |
11 |
|
F |
34 |
13 |
11228 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
43 |
17 |
11196 |
331.2 |
1.5 |
0.852 |
5 |
5 |
0 |
0.000 |
12 |
|
H |
38 |
16 |
11244 |
◊ |
D |
x,y,z |
1_555 |
32 |
12 |
11195 |
314.1 |
0.2 |
0.829 |
5 |
4 |
0 |
0.000 |
13 |
|
G |
31 |
12 |
11314 |
◊ |
C |
x,y,z |
1_555 |
35 |
14 |
11843 |
290.6 |
-0.6 |
0.676 |
5 |
4 |
0 |
0.000 |
Average: |
323.2 |
0.7 |
0.804 |
5 |
5 |
0 |
0.000 |
6 |
14 |
|
E |
27 |
8 |
11183 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
38 |
13 |
11195 |
258.6 |
-0.9 |
0.709 |
2 |
0 |
0 |
0.000 |
15 |
|
H |
25 |
7 |
11244 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
11288 |
249.7 |
-2.0 |
0.533 |
3 |
0 |
0 |
0.000 |
Average: |
254.2 |
-1.5 |
0.621 |
3 |
0 |
0 |
0.000 |
7 |
16 |
|
E |
24 |
9 |
11183 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
9 |
11196 |
254.2 |
-1.3 |
0.617 |
2 |
0 |
0 |
0.000 |
8 |
17 |
|
[PGA]G:301 |
9 |
1 |
286 |
f |
G |
x,y,z |
1_555 |
29 |
14 |
11314 |
191.0 |
-5.3 |
0.634 |
8 |
0 |
0 |
0.126 |
9 |
18 |
|
[PGA]D:301 |
9 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
27 |
14 |
11195 |
190.7 |
-5.2 |
0.600 |
7 |
0 |
0 |
0.090 |
10 |
19 |
|
[PGA]F:301 |
9 |
1 |
287 |
f |
F |
x,y,z |
1_555 |
26 |
14 |
11228 |
190.0 |
-5.2 |
0.592 |
7 |
0 |
0 |
0.221 |
20 |
|
[PGA]E:301 |
9 |
1 |
287 |
f |
E |
x,y,z |
1_555 |
27 |
14 |
11183 |
189.9 |
-5.5 |
0.600 |
7 |
0 |
0 |
0.221 |
21 |
|
[PGA]H:302 |
9 |
1 |
287 |
f |
H |
x,y,z |
1_555 |
29 |
14 |
11244 |
189.7 |
-5.3 |
0.666 |
7 |
0 |
0 |
0.221 |
Average: |
189.9 |
-5.3 |
0.619 |
7 |
0 |
0 |
0.221 |
11 |
22 |
|
[PGA]A:301 |
9 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
11196 |
188.2 |
-5.8 |
0.557 |
6 |
0 |
0 |
0.085 |
12 |
23 |
|
[PGA]B:301 |
9 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
11288 |
188.1 |
-5.4 |
0.590 |
8 |
0 |
0 |
0.090 |
13 |
24 |
|
[PGA]C:302 |
9 |
1 |
283 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
11843 |
186.1 |
-5.4 |
0.603 |
7 |
0 |
0 |
0.092 |
14 |
25 |
|
C |
16 |
8 |
11843 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
11288 |
174.7 |
-0.5 |
0.558 |
1 |
1 |
0 |
0.000 |
26 |
|
D |
15 |
6 |
11195 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
11196 |
131.4 |
-1.6 |
0.433 |
1 |
0 |
0 |
0.000 |
Average: |
153.1 |
-1.0 |
0.496 |
1 |
1 |
0 |
0.000 |
15 |
27 |
|
D |
18 |
8 |
11195 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
11288 |
150.1 |
-0.1 |
0.691 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
F |
12 |
4 |
11228 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11196 |
126.7 |
-0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
11 |
5 |
11195 |
◊ |
H |
-y+1,x+1,z-1/4 |
3_664 |
16 |
5 |
11244 |
112.3 |
-1.7 |
0.402 |
0 |
0 |
0 |
0.000 |
Average: |
119.5 |
-1.3 |
0.459 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
E |
22 |
11 |
11183 |
◊ |
A |
-y,x,z-1/4 |
3_554 |
11 |
6 |
11196 |
121.0 |
0.6 |
0.793 |
1 |
0 |
0 |
0.000 |
31 |
|
H |
11 |
6 |
11244 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
11843 |
106.4 |
0.6 |
0.770 |
1 |
0 |
0 |
0.000 |
Average: |
113.7 |
0.6 |
0.781 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
A |
12 |
5 |
11196 |
◊ |
H |
-x,-y+1,z-1/2 |
2_564 |
9 |
2 |
11244 |
100.1 |
-1.0 |
0.485 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
11195 |
73.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.257 |
34 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
11196 |
71.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.257 |
35 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
11843 |
70.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.257 |
36 |
|
[CL]G:302 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
11314 |
69.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.257 |
37 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11288 |
69.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.257 |
38 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
11228 |
67.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
70.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.257 |
20 |
39 |
|
[NA]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11196 |
69.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.181 |
40 |
|
[NA]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11288 |
65.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
67.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.181 |
21 |
41 |
|
[NA]C:305 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11843 |
65.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.111 |
42 |
|
[NA]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
11183 |
61.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
63.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.111 |
22 |
43 |
|
[GOL]H:301 |
5 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
11244 |
63.2 |
-0.3 |
0.553 |
1 |
0 |
0 |
0.011 |
23 |
44 |
|
[NA]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11843 |
60.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.116 |
45 |
|
[NA]H:303 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11244 |
60.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.116 |
46 |
|
[NA]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
11183 |
60.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.116 |
47 |
|
[NA]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11196 |
59.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
60.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.116 |
24 |
48 |
|
[GOL]C:301 |
5 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11195 |
59.0 |
0.4 |
0.704 |
2 |
0 |
0 |
0.005 |
25 |
49 |
|
[GOL]C:301 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11843 |
55.5 |
-0.1 |
0.598 |
1 |
0 |
0 |
0.006 |
26 |
50 |
|
[GOL]H:301 |
4 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
11314 |
45.4 |
0.2 |
0.672 |
1 |
0 |
0 |
0.004 |
27 |
51 |
|
G |
8 |
2 |
11314 |
◊ |
H |
-y,x+1,z-1/4 |
3_564 |
7 |
2 |
11244 |
43.8 |
-0.4 |
0.579 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
C |
5 |
3 |
11843 |
◊ |
E |
-y,x+1,z-1/4 |
3_564 |
5 |
2 |
11183 |
40.5 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
A |
7 |
2 |
11196 |
◊ |
H |
-y+1,x+1,z-1/4 |
3_664 |
8 |
4 |
11244 |
39.0 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
54 |
|
E |
3 |
2 |
11183 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
11843 |
27.3 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
33.1 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
30 |
55 |
|
[GOL]C:301 |
2 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
11244 |
21.3 |
0.8 |
0.754 |
1 |
0 |
0 |
0.000 |
31 |
56 |
|
[CL]F:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11288 |
15.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11228 |
14.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
D |
2 |
1 |
11195 |
◊ |
[CL]G:302 |
-y+1,x+1,z-1/4 |
3_664 |
1 |
1 |
125 |
12.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
1 |
1 |
11314 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
60 |
|
[GOL]H:301 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11843 |
13.3 |
0.5 |
0.674 |
0 |
0 |
0 |
0.000 |
33 |
61 |
|
F |
3 |
1 |
11228 |
◊ |
E |
-y,x+1,z-1/4 |
3_564 |
4 |
2 |
11183 |
11.2 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
34 |
62 |
|
E |
2 |
2 |
11183 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11288 |
11.0 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
2 |
2 |
11843 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
2 |
2 |
11314 |
9.0 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
Average: |
10.0 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
35 |
64 |
|
E |
1 |
1 |
11183 |
◊ |
[NA]A:303 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
8.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
65 |
|
[GOL]C:301 |
2 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11288 |
7.8 |
0.3 |
0.729 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
F |
3 |
1 |
11228 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
2 |
1 |
11314 |
7.6 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
[NA]B:303 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11244 |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
68 |
|
C |
1 |
1 |
11843 |
◊ |
B |
-y,x+1,z-1/4 |
3_564 |
1 |
1 |
11288 |
5.7 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
40 |
69 |
|
[PGA]G:301 |
1 |
1 |
286 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11244 |
5.0 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
41 |
70 |
|
[PGA]C:302 |
1 |
1 |
283 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11195 |
4.8 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
42 |
71 |
|
[PGA]B:301 |
1 |
1 |
284 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11196 |
4.4 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
43 |
72 |
|
[PGA]D:301 |
1 |
1 |
286 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11843 |
3.8 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
44 |
73 |
|
[PGA]H:302 |
1 |
1 |
287 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11314 |
3.8 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
74 |
|
[PGA]F:301 |
1 |
1 |
287 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11183 |
2.1 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
Average: |
2.9 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
45 |
75 |
|
[PGA]A:301 |
1 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11288 |
3.6 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
46 |
76 |
|
G |
1 |
1 |
11314 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11195 |
2.0 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
77 |
|
F |
1 |
1 |
11228 |
◊ |
B |
-y,x,z-1/4 |
3_554 |
1 |
1 |
11288 |
1.1 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
1.6 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
|