## |
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 |
195 |
55 |
18025 |
◊ |
A |
x,y,z |
1_555 |
215 |
52 |
43158 |
1983.1 |
-18.2 |
0.352 |
27 |
6 |
0 |
0.676 |
2 |
|
D |
198 |
55 |
17730 |
◊ |
C |
x,y,z |
1_555 |
210 |
51 |
43279 |
1962.1 |
-18.8 |
0.329 |
23 |
6 |
0 |
0.676 |
Average: |
1972.6 |
-18.5 |
0.341 |
25 |
6 |
0 |
0.676 |
2 |
3 |
|
E |
71 |
17 |
3370 |
◊ |
C |
x,y,z |
1_555 |
88 |
20 |
43279 |
737.7 |
-15.9 |
0.138 |
2 |
0 |
0 |
0.417 |
4 |
|
G |
67 |
17 |
3365 |
◊ |
A |
x,y,z |
1_555 |
91 |
22 |
43158 |
734.3 |
-15.8 |
0.146 |
2 |
0 |
0 |
0.417 |
Average: |
736.0 |
-15.8 |
0.142 |
2 |
0 |
0 |
0.417 |
3 |
5 |
|
[DGX]C:2005 |
41 |
1 |
1029 |
f |
C |
x,y,z |
1_555 |
77 |
31 |
43279 |
601.1 |
-2.2 |
0.640 |
2 |
0 |
0 |
0.076 |
6 |
|
[DGX]A:1107 |
41 |
1 |
1028 |
f |
A |
x,y,z |
1_555 |
74 |
30 |
43158 |
584.9 |
-1.9 |
0.632 |
2 |
0 |
0 |
0.076 |
Average: |
593.0 |
-2.0 |
0.636 |
2 |
0 |
0 |
0.076 |
4 |
7 |
|
D |
36 |
15 |
17730 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
10 |
43158 |
301.6 |
2.3 |
0.874 |
7 |
3 |
0 |
0.000 |
5 |
8 |
|
E |
27 |
5 |
3370 |
◊ |
D |
x,y,z |
1_555 |
38 |
11 |
17730 |
275.6 |
-4.2 |
0.613 |
2 |
0 |
0 |
0.077 |
9 |
|
G |
27 |
5 |
3365 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
18025 |
273.2 |
-4.1 |
0.618 |
2 |
0 |
0 |
0.077 |
Average: |
274.4 |
-4.1 |
0.615 |
2 |
0 |
0 |
0.077 |
6 |
10 |
|
A |
28 |
7 |
43158 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
30 |
10 |
43158 |
262.0 |
-0.7 |
0.716 |
0 |
4 |
0 |
0.000 |
7 |
11 |
|
C |
24 |
9 |
43279 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
29 |
11 |
43279 |
241.0 |
1.7 |
0.823 |
4 |
1 |
0 |
0.000 |
8 |
12 |
|
[CLR]G:1001 |
20 |
1 |
609 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
43158 |
238.8 |
0.4 |
0.189 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[CLR]C:2006 |
19 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
32 |
8 |
43279 |
229.6 |
-0.8 |
0.175 |
0 |
0 |
0 |
0.021 |
10 |
14 |
|
[CLR]C:2004 |
21 |
1 |
627 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
43279 |
225.8 |
0.2 |
0.244 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[17F]B:1004 |
19 |
1 |
590 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
18025 |
213.6 |
1.0 |
0.524 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[CLR]A:1104 |
19 |
1 |
614 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
43158 |
211.1 |
0.6 |
0.209 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[17F]A:1108 |
14 |
1 |
429 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
43158 |
193.3 |
0.5 |
0.356 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
G |
14 |
6 |
3365 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
3370 |
179.9 |
-5.1 |
0.377 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[17F]B:1004 |
17 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
43158 |
176.1 |
-1.2 |
0.408 |
2 |
0 |
0 |
0.052 |
16 |
20 |
|
[SUC]A:1106 |
13 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
43158 |
162.0 |
-0.5 |
0.266 |
1 |
0 |
0 |
0.025 |
17 |
21 |
|
C |
21 |
8 |
43279 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
7 |
18025 |
160.0 |
-1.8 |
0.491 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[CLR]C:2004 |
11 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
17730 |
155.6 |
-0.3 |
0.292 |
0 |
0 |
0 |
0.006 |
19 |
23 |
|
[SUC]A:1105 |
14 |
1 |
459 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
43279 |
147.2 |
-0.6 |
0.272 |
2 |
0 |
0 |
0.036 |
20 |
24 |
|
C |
16 |
5 |
43279 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
43158 |
145.7 |
-3.8 |
0.102 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SUC]A:1105 |
15 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
43158 |
145.6 |
1.3 |
0.399 |
3 |
0 |
0 |
0.000 |
22 |
26 |
|
[17F]A:1109 |
11 |
1 |
420 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
43158 |
141.0 |
-0.0 |
0.326 |
1 |
0 |
0 |
0.012 |
23 |
27 |
|
C |
18 |
5 |
43279 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
5 |
18025 |
139.4 |
-1.7 |
0.452 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[NAG]D:2001 |
10 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
17730 |
136.3 |
4.1 |
0.537 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CLR]G:1001 |
14 |
1 |
609 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
3365 |
128.9 |
0.9 |
0.539 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[CLR]C:2006 |
16 |
1 |
615 |
◊ |
E |
x,y,z |
1_555 |
16 |
4 |
3370 |
127.0 |
0.6 |
0.471 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[CLR]A:1104 |
7 |
1 |
614 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
18025 |
125.7 |
0.9 |
0.414 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[NAG]B:1001 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
18025 |
125.0 |
3.3 |
0.451 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
[NAG]D:2002 |
10 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
15 |
4 |
17730 |
114.3 |
2.7 |
0.364 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[SUC]A:1106 |
12 |
1 |
464 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
43279 |
109.1 |
1.9 |
0.513 |
4 |
0 |
0 |
0.000 |
31 |
35 |
|
[CLR]A:1104 |
14 |
1 |
614 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
43279 |
103.9 |
-0.8 |
0.146 |
0 |
0 |
0 |
0.020 |
32 |
36 |
|
[17F]A:1109 |
12 |
1 |
420 |
f |
[17F]A:1108 |
x,y,z |
1_555 |
8 |
1 |
429 |
93.6 |
1.9 |
0.249 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[NAG]D:2003 |
8 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
9 |
3 |
17730 |
91.9 |
2.4 |
0.367 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[NAG]B:1002 |
10 |
1 |
363 |
cf |
[NAG]B:1001 |
x,y,z |
1_555 |
7 |
1 |
364 |
81.1 |
1.8 |
0.090 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
B |
6 |
3 |
18025 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
43279 |
77.5 |
-1.8 |
0.178 |
0 |
0 |
0 |
0.000 |
40 |
|
D |
5 |
3 |
17730 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
43158 |
71.9 |
-1.7 |
0.168 |
0 |
0 |
0 |
0.000 |
Average: |
74.7 |
-1.7 |
0.173 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[NAG]B:1003 |
9 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
18025 |
73.3 |
2.0 |
0.289 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
D |
9 |
5 |
17730 |
◊ |
A |
x-1/2,-y-3/2,-z |
4_435 |
5 |
2 |
43158 |
67.5 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[17F]A:1108 |
7 |
1 |
429 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
18025 |
63.1 |
1.5 |
0.526 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[CLR]C:2004 |
10 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
43158 |
62.5 |
0.2 |
0.278 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[MG]A:1102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
43158 |
61.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.222 |
46 |
|
[MG]C:2002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
43279 |
60.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
60.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.222 |
41 |
47 |
|
[MG]C:2003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
43279 |
52.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.241 |
48 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
43158 |
51.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
52.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.241 |
42 |
49 |
|
[SUC]A:1106 |
6 |
1 |
464 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
3370 |
43.1 |
0.5 |
0.541 |
2 |
0 |
0 |
0.000 |
43 |
50 |
|
[CLR]G:1001 |
3 |
1 |
609 |
f |
[CLR]C:2006 |
x,y,z |
1_555 |
4 |
1 |
615 |
40.1 |
-1.0 |
0.150 |
0 |
0 |
0 |
0.025 |
44 |
51 |
|
[17F]A:1109 |
4 |
1 |
420 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18025 |
39.2 |
-0.2 |
0.276 |
0 |
0 |
0 |
0.003 |
45 |
52 |
|
[SUC]A:1105 |
5 |
1 |
459 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
18025 |
38.1 |
0.8 |
0.567 |
1 |
0 |
0 |
0.000 |
46 |
53 |
|
[SUC]A:1105 |
6 |
1 |
459 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
3365 |
36.3 |
0.5 |
0.541 |
1 |
0 |
0 |
0.000 |
47 |
54 |
|
[SUC]A:1106 |
4 |
1 |
464 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17730 |
34.1 |
1.0 |
0.658 |
1 |
0 |
0 |
0.000 |
48 |
55 |
|
B |
3 |
1 |
18025 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
43158 |
33.0 |
1.3 |
0.854 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[SUC]A:1105 |
2 |
1 |
459 |
f |
[CLR]G:1001 |
x,y,z |
1_555 |
3 |
1 |
609 |
22.1 |
1.1 |
0.508 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
[DGX]C:2005 |
3 |
1 |
1029 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17730 |
21.9 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
58 |
|
[DGX]A:1107 |
3 |
1 |
1028 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18025 |
18.5 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[17F]B:1004 |
3 |
1 |
590 |
f |
[17F]A:1108 |
x,y,z |
1_555 |
3 |
1 |
429 |
15.1 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.009 |
52 |
60 |
|
[SUC]A:1106 |
2 |
1 |
464 |
◊ |
[CLR]C:2006 |
x,y,z |
1_555 |
2 |
1 |
615 |
12.8 |
0.8 |
0.473 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[SUC]A:1105 |
2 |
1 |
459 |
f |
[CLR]A:1104 |
x,y,z |
1_555 |
1 |
1 |
614 |
9.5 |
0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[NAG]B:1002 |
3 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
18025 |
8.7 |
0.2 |
0.373 |
0 |
0 |
0 |
0.000 |
|