## |
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 |
99 |
23 |
4246 |
◊ |
E |
x,y,z |
1_555 |
97 |
22 |
4393 |
967.0 |
-23.0 |
0.034 |
5 |
8 |
0 |
1.000 |
2 |
|
L |
91 |
23 |
4363 |
◊ |
K |
x,y,z |
1_555 |
105 |
23 |
4268 |
951.8 |
-22.2 |
0.040 |
4 |
7 |
0 |
1.000 |
Average: |
959.4 |
-22.6 |
0.037 |
5 |
8 |
0 |
1.000 |
2 |
3 |
|
L |
65 |
13 |
4363 |
◊ |
H |
x,y,z |
1_555 |
90 |
26 |
6272 |
659.7 |
-5.7 |
0.429 |
12 |
0 |
0 |
1.000 |
4 |
|
K |
69 |
13 |
4268 |
◊ |
G |
x,y,z |
1_555 |
86 |
26 |
6593 |
655.9 |
-5.4 |
0.431 |
10 |
0 |
0 |
1.000 |
5 |
|
F |
69 |
13 |
4246 |
◊ |
B |
x,y,z |
1_555 |
86 |
26 |
6376 |
647.7 |
-6.1 |
0.403 |
12 |
0 |
0 |
1.000 |
6 |
|
E |
67 |
14 |
4393 |
◊ |
A |
x,y,z |
1_555 |
82 |
25 |
6422 |
641.7 |
-5.1 |
0.402 |
11 |
0 |
0 |
1.000 |
Average: |
651.3 |
-5.6 |
0.416 |
11 |
0 |
0 |
1.000 |
3 |
7 |
|
K |
61 |
14 |
4268 |
◊ |
J |
x,y,z |
1_555 |
68 |
19 |
5580 |
539.3 |
-1.4 |
0.748 |
8 |
2 |
0 |
0.126 |
8 |
|
F |
56 |
13 |
4246 |
◊ |
C |
x,y,z |
1_555 |
67 |
18 |
5573 |
533.7 |
-1.3 |
0.677 |
6 |
1 |
0 |
0.126 |
9 |
|
L |
56 |
13 |
4363 |
◊ |
I |
x,y,z |
1_555 |
75 |
20 |
5673 |
531.8 |
-1.4 |
0.741 |
7 |
2 |
0 |
0.126 |
10 |
|
E |
60 |
14 |
4393 |
◊ |
D |
x,y,z |
1_555 |
68 |
19 |
5660 |
528.7 |
-1.8 |
0.684 |
7 |
1 |
0 |
0.126 |
Average: |
533.4 |
-1.5 |
0.713 |
7 |
2 |
0 |
0.126 |
4 |
11 |
|
D |
44 |
14 |
5660 |
◊ |
I |
-x+3/2,-y,z-1/2 |
2_654 |
43 |
15 |
5673 |
416.5 |
-2.8 |
0.505 |
7 |
0 |
0 |
0.045 |
5 |
12 |
|
H |
40 |
10 |
6272 |
◊ |
G |
x,y,z |
1_555 |
40 |
10 |
6593 |
383.6 |
-5.0 |
0.206 |
3 |
0 |
0 |
0.114 |
13 |
|
B |
34 |
10 |
6376 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
6422 |
306.9 |
-4.2 |
0.233 |
2 |
0 |
0 |
0.114 |
Average: |
345.2 |
-4.6 |
0.219 |
3 |
0 |
0 |
0.114 |
6 |
14 |
|
J |
44 |
15 |
5580 |
◊ |
I |
x,y,z |
1_555 |
47 |
17 |
5673 |
372.6 |
-1.5 |
0.662 |
2 |
0 |
0 |
0.034 |
15 |
|
D |
43 |
16 |
5660 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
5573 |
361.1 |
-1.0 |
0.641 |
2 |
1 |
0 |
0.034 |
Average: |
366.8 |
-1.3 |
0.651 |
2 |
1 |
0 |
0.034 |
7 |
16 |
|
G |
31 |
13 |
6593 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
6422 |
302.6 |
-4.2 |
0.209 |
1 |
0 |
0 |
0.040 |
8 |
17 |
|
H |
36 |
10 |
6272 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
42 |
14 |
6422 |
295.6 |
1.3 |
0.805 |
10 |
0 |
0 |
0.000 |
18 |
|
G |
34 |
10 |
6593 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
35 |
12 |
6376 |
294.5 |
2.0 |
0.817 |
6 |
0 |
0 |
0.000 |
Average: |
295.0 |
1.7 |
0.811 |
8 |
0 |
0 |
0.000 |
9 |
19 |
|
K |
26 |
6 |
4268 |
◊ |
I |
x,y,z |
1_555 |
30 |
9 |
5673 |
245.7 |
0.6 |
0.546 |
3 |
4 |
0 |
0.058 |
20 |
|
E |
22 |
6 |
4393 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
5573 |
245.2 |
-0.8 |
0.357 |
2 |
4 |
0 |
0.058 |
21 |
|
F |
23 |
6 |
4246 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
5660 |
243.3 |
-0.9 |
0.384 |
3 |
3 |
0 |
0.058 |
22 |
|
L |
24 |
6 |
4363 |
◊ |
J |
x,y,z |
1_555 |
28 |
7 |
5580 |
237.5 |
-0.7 |
0.435 |
3 |
3 |
0 |
0.058 |
Average: |
242.9 |
-0.5 |
0.430 |
3 |
4 |
0 |
0.058 |
10 |
23 |
|
H |
21 |
6 |
6272 |
x |
H |
x-1/2,-y+1/2,-z |
4_455 |
25 |
10 |
6272 |
235.0 |
-0.4 |
0.541 |
1 |
0 |
0 |
0.000 |
11 |
24 |
|
E |
17 |
4 |
4393 |
◊ |
G |
x,y,z |
1_555 |
23 |
9 |
6593 |
179.7 |
-1.4 |
0.472 |
2 |
0 |
0 |
0.019 |
12 |
25 |
|
C |
16 |
6 |
5573 |
◊ |
J |
-x+3/2,-y,z-1/2 |
2_654 |
18 |
6 |
5580 |
176.1 |
0.1 |
0.709 |
4 |
0 |
0 |
0.013 |
13 |
26 |
|
C |
21 |
8 |
5573 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
4 |
4246 |
139.9 |
-1.6 |
0.452 |
1 |
0 |
0 |
0.016 |
14 |
27 |
|
[ACT]G:201 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
24 |
10 |
6593 |
124.4 |
-0.3 |
0.660 |
2 |
0 |
0 |
0.100 |
15 |
28 |
|
E |
14 |
5 |
4393 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
6376 |
120.7 |
-0.8 |
0.540 |
2 |
0 |
0 |
0.060 |
29 |
|
L |
15 |
5 |
4363 |
◊ |
G |
x,y,z |
1_555 |
12 |
3 |
6593 |
120.3 |
-0.8 |
0.551 |
2 |
0 |
0 |
0.060 |
30 |
|
F |
14 |
5 |
4246 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
6422 |
119.8 |
-0.7 |
0.559 |
2 |
0 |
0 |
0.060 |
31 |
|
K |
15 |
5 |
4268 |
◊ |
H |
x,y,z |
1_555 |
13 |
3 |
6272 |
117.0 |
-0.7 |
0.560 |
2 |
0 |
0 |
0.060 |
Average: |
119.5 |
-0.8 |
0.553 |
2 |
0 |
0 |
0.060 |
16 |
32 |
|
D |
13 |
4 |
5660 |
◊ |
J |
-x+5/2,-y,z-1/2 |
2_754 |
15 |
5 |
5580 |
116.9 |
-1.9 |
0.348 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
[EDO]B:201 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
6376 |
95.2 |
2.3 |
0.253 |
2 |
0 |
0 |
0.000 |
18 |
34 |
|
[EDO]A:201 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6422 |
92.4 |
2.1 |
0.257 |
3 |
0 |
0 |
0.000 |
19 |
35 |
|
[EDO]H:201 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
6272 |
92.0 |
2.2 |
0.260 |
1 |
0 |
0 |
0.000 |
20 |
36 |
|
G |
10 |
3 |
6593 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
6422 |
82.5 |
-1.7 |
0.192 |
1 |
0 |
0 |
0.000 |
21 |
37 |
|
[ACE]E:0 |
3 |
1 |
172 |
cf |
E |
x,y,z |
1_555 |
10 |
3 |
4393 |
78.5 |
-0.4 |
0.788 |
1 |
0 |
0 |
0.211 |
22 |
38 |
|
[GOL]D:201 |
5 |
1 |
217 |
f |
I |
-x+3/2,-y,z-1/2 |
2_654 |
13 |
4 |
5673 |
75.1 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.100 |
23 |
39 |
|
I |
7 |
2 |
5673 |
◊ |
L |
x-1,y,z |
1_455 |
6 |
2 |
4363 |
73.0 |
-1.8 |
0.229 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[ACE]F:0 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
11 |
4 |
4246 |
72.0 |
-0.3 |
0.793 |
2 |
0 |
0 |
0.106 |
25 |
41 |
|
[GOL]D:201 |
3 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
5660 |
50.3 |
0.3 |
0.619 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[NH2]E:41 |
1 |
1 |
117 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
6593 |
44.1 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[NH2]E:41 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
8 |
4 |
4393 |
43.5 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
K |
6 |
2 |
4268 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
6 |
6422 |
36.9 |
-0.6 |
0.507 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
B |
3 |
3 |
6376 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
6376 |
34.7 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
I |
6 |
3 |
5673 |
◊ |
K |
x-1,y,z |
1_455 |
3 |
2 |
4268 |
31.0 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
C |
7 |
3 |
5573 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
4393 |
30.8 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.003 |
32 |
48 |
|
[ACE]E:0 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5660 |
28.1 |
-0.8 |
0.238 |
0 |
0 |
0 |
0.005 |
33 |
49 |
|
[ACT]G:201 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
6272 |
25.3 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.005 |
34 |
50 |
|
D |
1 |
1 |
5660 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6422 |
8.5 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
51 |
|
C |
4 |
2 |
5573 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6376 |
6.5 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
52 |
|
I |
1 |
1 |
5673 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6272 |
0.3 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
5.1 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
35 |
53 |
|
[ACE]F:0 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5573 |
7.3 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.001 |
36 |
54 |
|
D |
1 |
1 |
5660 |
◊ |
K |
-x+5/2,-y,z-1/2 |
2_754 |
2 |
1 |
4268 |
2.7 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
|