## |
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 |
197 |
53 |
17207 |
◊ |
A |
x,y,z |
1_555 |
224 |
54 |
42728 |
1988.8 |
-19.2 |
0.370 |
28 |
5 |
0 |
0.094 |
2 |
|
D |
197 |
53 |
16917 |
◊ |
C |
x,y,z |
1_555 |
223 |
54 |
42698 |
1977.1 |
-19.1 |
0.354 |
28 |
4 |
0 |
0.094 |
Average: |
1982.9 |
-19.1 |
0.362 |
28 |
5 |
0 |
0.094 |
2 |
3 |
|
E |
71 |
16 |
3309 |
◊ |
C |
x,y,z |
1_555 |
85 |
20 |
42698 |
733.2 |
-14.7 |
0.188 |
5 |
0 |
0 |
0.051 |
4 |
|
G |
72 |
17 |
3311 |
◊ |
A |
x,y,z |
1_555 |
86 |
21 |
42728 |
732.6 |
-14.6 |
0.196 |
5 |
0 |
0 |
0.051 |
Average: |
732.9 |
-14.7 |
0.192 |
5 |
0 |
0 |
0.051 |
3 |
5 |
|
C |
58 |
16 |
42698 |
◊ |
D |
x,y,z-1 |
1_554 |
62 |
18 |
16917 |
573.7 |
-3.0 |
0.629 |
8 |
2 |
0 |
0.000 |
6 |
|
B |
61 |
18 |
17207 |
◊ |
A |
x-1,y,z-1 |
1_454 |
59 |
16 |
42728 |
562.6 |
-3.0 |
0.644 |
8 |
2 |
0 |
0.000 |
Average: |
568.2 |
-3.0 |
0.636 |
8 |
2 |
0 |
0.000 |
4 |
7 |
|
[BUF]A:2001 |
25 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
42728 |
408.0 |
2.0 |
0.468 |
1 |
0 |
0 |
0.000 |
8 |
|
[BUF]C:1102 |
25 |
1 |
540 |
f |
C |
x,y,z |
1_555 |
52 |
22 |
42698 |
407.5 |
2.0 |
0.465 |
1 |
0 |
0 |
0.000 |
Average: |
407.8 |
2.0 |
0.466 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
32 |
10 |
42698 |
◊ |
A |
x,y,z-1 |
1_554 |
39 |
14 |
42728 |
314.9 |
1.8 |
0.882 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
38 |
13 |
42698 |
◊ |
A |
x-1,y,z-1 |
1_454 |
31 |
9 |
42728 |
308.2 |
1.8 |
0.888 |
2 |
0 |
0 |
0.000 |
Average: |
311.6 |
1.8 |
0.885 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
E |
27 |
5 |
3309 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
16917 |
275.2 |
-3.6 |
0.671 |
0 |
0 |
0 |
0.011 |
12 |
|
G |
25 |
5 |
3311 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
17207 |
271.2 |
-3.6 |
0.653 |
1 |
0 |
0 |
0.011 |
Average: |
273.2 |
-3.6 |
0.662 |
1 |
0 |
0 |
0.011 |
7 |
13 |
|
[CLR]E:101 |
21 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
39 |
9 |
42698 |
254.8 |
-1.0 |
0.184 |
0 |
0 |
0 |
0.003 |
14 |
|
[CLR]A:2002 |
21 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
39 |
9 |
42728 |
253.1 |
-1.0 |
0.186 |
0 |
0 |
0 |
0.003 |
Average: |
254.0 |
-1.0 |
0.185 |
0 |
0 |
0 |
0.003 |
8 |
15 |
|
B |
21 |
6 |
17207 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
22 |
6 |
16917 |
179.9 |
1.1 |
0.796 |
3 |
7 |
0 |
0.000 |
9 |
16 |
|
G |
13 |
6 |
3311 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
3309 |
166.4 |
-4.1 |
0.427 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[SUC]C:1101 |
16 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
42698 |
157.9 |
0.6 |
0.384 |
2 |
0 |
0 |
0.000 |
18 |
|
[SUC]C:1103 |
14 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
42728 |
154.6 |
0.8 |
0.455 |
1 |
0 |
0 |
0.000 |
Average: |
156.2 |
0.7 |
0.420 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
C |
14 |
4 |
42698 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
42728 |
155.4 |
-4.2 |
0.068 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[SUC]C:1103 |
14 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
42698 |
129.1 |
0.4 |
0.321 |
3 |
0 |
0 |
0.003 |
21 |
|
[SUC]C:1101 |
13 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
42728 |
126.7 |
0.3 |
0.330 |
3 |
0 |
0 |
0.003 |
Average: |
127.9 |
0.3 |
0.326 |
3 |
0 |
0 |
0.003 |
13 |
22 |
|
[NAG]D:1001 |
10 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
18 |
7 |
16917 |
128.2 |
3.6 |
0.519 |
2 |
0 |
0 |
0.000 |
23 |
|
[NAG]B:1001 |
10 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
17207 |
125.9 |
3.7 |
0.454 |
2 |
0 |
0 |
0.000 |
Average: |
127.0 |
3.7 |
0.486 |
2 |
0 |
0 |
0.000 |
14 |
24 |
|
[CLR]E:101 |
14 |
1 |
622 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
3309 |
124.6 |
0.4 |
0.519 |
0 |
0 |
0 |
0.000 |
25 |
|
[CLR]A:2002 |
14 |
1 |
622 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
3311 |
122.4 |
0.5 |
0.515 |
0 |
0 |
0 |
0.000 |
Average: |
123.5 |
0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[17F]G:1001 |
12 |
1 |
495 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
42698 |
120.5 |
1.2 |
0.274 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[K]C:1106 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
42698 |
120.1 |
-97.9 |
0.000 |
0 |
0 |
0 |
0.296 |
28 |
|
[K]A:2005 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
42728 |
118.4 |
-98.6 |
0.000 |
0 |
0 |
0 |
0.296 |
Average: |
119.2 |
-98.3 |
0.000 |
0 |
0 |
0 |
0.296 |
17 |
29 |
|
[17F]G:1001 |
12 |
1 |
495 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
3311 |
103.6 |
0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[K]A:2003 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
42728 |
95.4 |
-90.3 |
0.000 |
0 |
0 |
0 |
0.273 |
31 |
|
[K]C:1104 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
42698 |
94.8 |
-90.2 |
0.000 |
0 |
0 |
0 |
0.273 |
Average: |
95.1 |
-90.2 |
0.000 |
0 |
0 |
0 |
0.273 |
19 |
32 |
|
[K]C:1105 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
42698 |
90.3 |
-77.5 |
0.000 |
0 |
0 |
0 |
0.234 |
33 |
|
[K]A:2004 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
42728 |
89.8 |
-77.1 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
90.0 |
-77.3 |
0.000 |
0 |
0 |
0 |
0.234 |
20 |
34 |
|
B |
7 |
3 |
17207 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
42698 |
83.7 |
-1.9 |
0.241 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
7 |
3 |
16917 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
42728 |
77.6 |
-1.8 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
80.7 |
-1.8 |
0.241 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[NAG]D:1002 |
8 |
1 |
364 |
cf |
[NAG]D:1001 |
x,y,z |
1_555 |
7 |
1 |
363 |
81.4 |
1.9 |
0.125 |
1 |
0 |
0 |
0.000 |
22 |
37 |
|
[17F]G:1001 |
5 |
1 |
495 |
◊ |
[CLR]A:2002 |
x,y,z |
1_555 |
10 |
1 |
622 |
56.1 |
2.4 |
0.357 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[SUC]C:1101 |
6 |
1 |
452 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
3311 |
50.4 |
0.6 |
0.597 |
2 |
0 |
0 |
0.000 |
39 |
|
[SUC]C:1103 |
6 |
1 |
451 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
3309 |
49.0 |
0.8 |
0.626 |
2 |
0 |
0 |
0.000 |
Average: |
49.7 |
0.7 |
0.611 |
2 |
0 |
0 |
0.001 |
24 |
40 |
|
[17F]G:1001 |
10 |
1 |
495 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
3309 |
41.9 |
0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[K]A:2004 |
1 |
1 |
216 |
f |
[BUF]A:2001 |
x,y,z |
1_555 |
5 |
1 |
541 |
40.6 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.051 |
42 |
|
[K]C:1105 |
1 |
1 |
216 |
f |
[BUF]C:1102 |
x,y,z |
1_555 |
5 |
1 |
540 |
39.5 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
40.0 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.051 |
26 |
43 |
|
[SUC]C:1103 |
3 |
1 |
451 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16917 |
35.0 |
0.9 |
0.667 |
1 |
0 |
0 |
0.000 |
44 |
|
[SUC]C:1101 |
2 |
1 |
452 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17207 |
33.8 |
0.9 |
0.760 |
0 |
0 |
0 |
0.000 |
Average: |
34.4 |
0.9 |
0.713 |
1 |
0 |
0 |
0.000 |
27 |
45 |
|
[K]C:1105 |
1 |
1 |
216 |
f |
[K]C:1104 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.0 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.103 |
28 |
46 |
|
[K]A:2004 |
1 |
1 |
216 |
f |
[K]A:2003 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.9 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.102 |
29 |
47 |
|
[SUC]C:1101 |
5 |
1 |
452 |
f |
[CLR]A:2002 |
x,y,z |
1_555 |
4 |
1 |
622 |
33.1 |
1.3 |
0.413 |
0 |
0 |
0 |
0.000 |
48 |
|
[SUC]C:1103 |
5 |
1 |
451 |
f |
[CLR]E:101 |
x,y,z |
1_555 |
3 |
1 |
622 |
32.1 |
1.2 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
32.6 |
1.3 |
0.428 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
[SUC]C:1101 |
2 |
1 |
452 |
◊ |
[17F]G:1001 |
x,y,z |
1_555 |
3 |
1 |
495 |
27.3 |
0.1 |
0.280 |
0 |
0 |
0 |
0.000 |
31 |
50 |
|
A |
6 |
2 |
42728 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
42698 |
20.7 |
0.5 |
0.743 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
C |
2 |
2 |
42698 |
x |
C |
x-1,y,z |
1_455 |
2 |
2 |
42698 |
7.5 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
2 |
2 |
42728 |
x |
A |
x-1,y,z |
1_455 |
2 |
2 |
42728 |
6.4 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[NAG]D:1002 |
1 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16917 |
6.9 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
B |
1 |
1 |
17207 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
42728 |
0.6 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
|