## |
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 |
|
H |
156 |
37 |
12529 |
◊ |
F |
x,y,z |
1_555 |
156 |
37 |
12850 |
1477.5 |
-19.5 |
0.112 |
18 |
2 |
0 |
0.363 |
2 |
|
G |
158 |
38 |
12583 |
◊ |
E |
x,y,z |
1_555 |
155 |
37 |
12632 |
1474.7 |
-19.4 |
0.115 |
18 |
2 |
0 |
0.363 |
3 |
|
B |
159 |
37 |
12822 |
◊ |
A |
x,y,z |
1_555 |
158 |
37 |
12634 |
1472.9 |
-19.2 |
0.132 |
18 |
2 |
0 |
0.363 |
4 |
|
D |
160 |
38 |
12822 |
◊ |
C |
x,y,z |
1_555 |
160 |
38 |
12540 |
1472.1 |
-19.5 |
0.117 |
17 |
2 |
0 |
0.363 |
Average: |
1474.3 |
-19.4 |
0.119 |
18 |
2 |
0 |
0.363 |
2 |
5 |
|
E |
153 |
42 |
12632 |
◊ |
B |
x,y,z |
1_555 |
151 |
42 |
12822 |
1469.5 |
-20.2 |
0.103 |
20 |
4 |
0 |
0.381 |
6 |
|
F |
150 |
42 |
12850 |
◊ |
D |
x,y,z |
1_555 |
149 |
41 |
12822 |
1453.3 |
-20.3 |
0.091 |
20 |
4 |
0 |
0.381 |
7 |
|
G |
148 |
41 |
12583 |
◊ |
A |
x,y,z |
1_555 |
152 |
41 |
12634 |
1442.2 |
-19.1 |
0.124 |
20 |
4 |
0 |
0.381 |
8 |
|
H |
148 |
42 |
12529 |
◊ |
C |
x,y,z |
1_555 |
150 |
41 |
12540 |
1440.4 |
-19.0 |
0.120 |
20 |
4 |
0 |
0.381 |
Average: |
1451.4 |
-19.7 |
0.109 |
20 |
4 |
0 |
0.381 |
3 |
9 |
|
F |
109 |
34 |
12850 |
◊ |
A |
x,y,z |
1_555 |
121 |
35 |
12634 |
1116.3 |
-1.4 |
0.819 |
12 |
12 |
0 |
0.000 |
10 |
|
E |
100 |
31 |
12632 |
◊ |
C |
x,y-1,z |
1_545 |
114 |
34 |
12540 |
1074.3 |
-0.6 |
0.844 |
11 |
11 |
0 |
0.000 |
Average: |
1095.3 |
-1.0 |
0.832 |
12 |
12 |
0 |
0.000 |
4 |
11 |
|
D |
80 |
24 |
12822 |
◊ |
D |
-x+1,y,-z |
2_655 |
80 |
24 |
12822 |
881.0 |
1.2 |
0.878 |
14 |
6 |
0 |
0.000 |
12 |
|
B |
78 |
24 |
12822 |
◊ |
B |
-x,y,-z+1 |
2_556 |
79 |
24 |
12822 |
813.0 |
-2.6 |
0.710 |
8 |
6 |
0 |
0.000 |
Average: |
847.0 |
-0.7 |
0.794 |
11 |
6 |
0 |
0.000 |
5 |
13 |
|
H |
66 |
16 |
12529 |
◊ |
D |
x,y,z |
1_555 |
66 |
16 |
12822 |
688.4 |
-4.4 |
0.519 |
9 |
0 |
0 |
0.079 |
14 |
|
G |
66 |
16 |
12583 |
◊ |
B |
x,y,z |
1_555 |
64 |
16 |
12822 |
686.5 |
-5.8 |
0.412 |
9 |
0 |
0 |
0.079 |
15 |
|
F |
65 |
16 |
12850 |
◊ |
C |
x,y,z |
1_555 |
68 |
16 |
12540 |
685.0 |
-5.6 |
0.420 |
9 |
0 |
0 |
0.079 |
16 |
|
E |
65 |
16 |
12632 |
◊ |
A |
x,y,z |
1_555 |
60 |
16 |
12634 |
650.1 |
-4.4 |
0.491 |
9 |
0 |
0 |
0.079 |
Average: |
677.5 |
-5.1 |
0.461 |
9 |
0 |
0 |
0.079 |
6 |
17 |
|
[NAD]G:301 |
43 |
1 |
826 |
f |
G |
x,y,z |
1_555 |
94 |
34 |
12583 |
554.4 |
-8.5 |
0.494 |
14 |
0 |
0 |
0.372 |
18 |
|
[NAD]H:301 |
44 |
1 |
822 |
f |
H |
x,y,z |
1_555 |
95 |
35 |
12529 |
553.5 |
-8.4 |
0.492 |
13 |
0 |
0 |
0.372 |
19 |
|
[NAD]B:301 |
43 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
94 |
33 |
12822 |
552.1 |
-8.0 |
0.522 |
14 |
0 |
0 |
0.372 |
20 |
|
[NAD]D:301 |
44 |
1 |
821 |
f |
D |
x,y,z |
1_555 |
92 |
33 |
12822 |
552.1 |
-8.0 |
0.505 |
14 |
0 |
0 |
0.372 |
21 |
|
[NAD]C:301 |
43 |
1 |
812 |
f |
C |
x,y,z |
1_555 |
93 |
34 |
12540 |
549.9 |
-7.8 |
0.511 |
14 |
0 |
0 |
0.372 |
22 |
|
[NAD]F:301 |
43 |
1 |
818 |
f |
F |
x,y,z |
1_555 |
95 |
34 |
12850 |
549.1 |
-8.0 |
0.510 |
13 |
0 |
0 |
0.372 |
23 |
|
[NAD]A:301 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
94 |
34 |
12634 |
547.2 |
-8.0 |
0.510 |
13 |
0 |
0 |
0.372 |
24 |
|
[NAD]E:301 |
43 |
1 |
816 |
f |
E |
x,y,z |
1_555 |
95 |
35 |
12632 |
546.6 |
-7.8 |
0.498 |
13 |
0 |
0 |
0.372 |
Average: |
550.6 |
-8.1 |
0.505 |
14 |
0 |
0 |
0.372 |
7 |
25 |
|
[XT3]F:302 |
28 |
1 |
615 |
f |
F |
x,y,z |
1_555 |
67 |
25 |
12850 |
374.1 |
-7.6 |
0.387 |
2 |
0 |
0 |
0.222 |
26 |
|
[XT3]H:302 |
27 |
1 |
608 |
f |
H |
x,y,z |
1_555 |
68 |
25 |
12529 |
372.2 |
-7.7 |
0.360 |
2 |
0 |
0 |
0.222 |
27 |
|
[XT3]G:302 |
27 |
1 |
610 |
f |
G |
x,y,z |
1_555 |
67 |
25 |
12583 |
372.2 |
-7.4 |
0.363 |
2 |
0 |
0 |
0.222 |
28 |
|
[XT3]B:302 |
27 |
1 |
611 |
f |
B |
x,y,z |
1_555 |
66 |
25 |
12822 |
371.6 |
-7.7 |
0.362 |
2 |
0 |
0 |
0.222 |
29 |
|
[XT3]D:302 |
27 |
1 |
609 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
12822 |
370.3 |
-7.5 |
0.356 |
2 |
0 |
0 |
0.222 |
30 |
|
[XT3]A:302 |
28 |
1 |
609 |
f |
A |
x,y,z |
1_555 |
64 |
24 |
12634 |
368.0 |
-7.7 |
0.338 |
1 |
0 |
0 |
0.222 |
31 |
|
[XT3]C:302 |
28 |
1 |
608 |
f |
C |
x,y,z |
1_555 |
68 |
24 |
12540 |
360.5 |
-7.3 |
0.374 |
2 |
0 |
0 |
0.222 |
32 |
|
[XT3]E:302 |
26 |
1 |
613 |
f |
E |
x,y,z |
1_555 |
71 |
26 |
12632 |
359.1 |
-7.2 |
0.382 |
2 |
0 |
0 |
0.222 |
Average: |
368.5 |
-7.5 |
0.365 |
2 |
0 |
0 |
0.222 |
8 |
33 |
|
A |
31 |
13 |
12634 |
◊ |
H |
x-1,y,z |
1_455 |
25 |
10 |
12529 |
293.4 |
-0.8 |
0.585 |
3 |
1 |
0 |
0.000 |
34 |
|
G |
24 |
13 |
12583 |
◊ |
C |
x-1,y-1,z |
1_445 |
27 |
11 |
12540 |
278.3 |
-1.1 |
0.589 |
1 |
0 |
0 |
0.000 |
Average: |
285.9 |
-1.0 |
0.587 |
2 |
1 |
0 |
0.000 |
9 |
35 |
|
[XT3]F:302 |
12 |
1 |
615 |
f |
[NAD]F:301 |
x,y,z |
1_555 |
20 |
1 |
818 |
118.1 |
-1.4 |
0.777 |
1 |
0 |
0 |
0.052 |
36 |
|
[XT3]G:302 |
13 |
1 |
610 |
f |
[NAD]G:301 |
x,y,z |
1_555 |
20 |
1 |
826 |
117.1 |
-1.5 |
0.776 |
1 |
0 |
0 |
0.052 |
37 |
|
[XT3]B:302 |
13 |
1 |
611 |
f |
[NAD]B:301 |
x,y,z |
1_555 |
20 |
1 |
819 |
115.9 |
-1.4 |
0.786 |
1 |
0 |
0 |
0.052 |
38 |
|
[XT3]H:302 |
13 |
1 |
608 |
f |
[NAD]H:301 |
x,y,z |
1_555 |
20 |
1 |
822 |
115.7 |
-1.5 |
0.777 |
1 |
0 |
0 |
0.052 |
39 |
|
[XT3]D:302 |
12 |
1 |
609 |
f |
[NAD]D:301 |
x,y,z |
1_555 |
19 |
1 |
821 |
115.3 |
-1.5 |
0.757 |
1 |
0 |
0 |
0.052 |
40 |
|
[XT3]A:302 |
12 |
1 |
609 |
f |
[NAD]A:301 |
x,y,z |
1_555 |
20 |
1 |
818 |
115.3 |
-1.4 |
0.779 |
1 |
0 |
0 |
0.052 |
41 |
|
[XT3]E:302 |
12 |
1 |
613 |
f |
[NAD]E:301 |
x,y,z |
1_555 |
20 |
1 |
816 |
115.0 |
-1.5 |
0.762 |
1 |
0 |
0 |
0.052 |
42 |
|
[XT3]C:302 |
13 |
1 |
608 |
f |
[NAD]C:301 |
x,y,z |
1_555 |
19 |
1 |
812 |
113.9 |
-1.5 |
0.767 |
1 |
0 |
0 |
0.052 |
Average: |
115.8 |
-1.5 |
0.773 |
1 |
0 |
0 |
0.052 |
10 |
43 |
|
E |
8 |
2 |
12632 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
4 |
12634 |
102.9 |
2.5 |
0.883 |
0 |
0 |
0 |
0.000 |
44 |
|
F |
8 |
2 |
12850 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
4 |
12540 |
92.0 |
1.5 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
97.5 |
2.0 |
0.772 |
0 |
0 |
0 |
0.000 |
11 |
45 |
|
C |
6 |
2 |
12540 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12634 |
38.6 |
1.2 |
0.881 |
1 |
1 |
0 |
0.000 |
46 |
|
A |
1 |
1 |
12634 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
12540 |
6.8 |
0.3 |
0.869 |
0 |
0 |
0 |
0.000 |
Average: |
22.7 |
0.8 |
0.875 |
1 |
1 |
0 |
0.000 |
12 |
47 |
|
E |
8 |
3 |
12632 |
◊ |
H |
x-1,y-1,z |
1_445 |
5 |
2 |
12529 |
28.2 |
-0.5 |
0.512 |
0 |
0 |
0 |
0.000 |
13 |
48 |
|
[XT3]G:302 |
2 |
1 |
610 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12822 |
26.4 |
-0.8 |
0.266 |
0 |
0 |
0 |
0.013 |
49 |
|
[XT3]D:302 |
2 |
1 |
609 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
12529 |
25.7 |
-0.8 |
0.273 |
0 |
0 |
0 |
0.013 |
50 |
|
[XT3]B:302 |
3 |
1 |
611 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
12583 |
24.8 |
-0.8 |
0.315 |
0 |
0 |
0 |
0.013 |
51 |
|
[XT3]H:302 |
3 |
1 |
608 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12822 |
24.8 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.013 |
52 |
|
[XT3]A:302 |
3 |
1 |
609 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
12632 |
24.1 |
-0.8 |
0.321 |
0 |
0 |
0 |
0.013 |
53 |
|
[XT3]F:302 |
3 |
1 |
615 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12540 |
23.5 |
-0.8 |
0.320 |
0 |
0 |
0 |
0.013 |
54 |
|
[XT3]E:302 |
3 |
1 |
613 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12634 |
21.2 |
-0.7 |
0.346 |
0 |
0 |
0 |
0.013 |
55 |
|
[XT3]C:302 |
2 |
1 |
608 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
12850 |
20.4 |
-0.5 |
0.382 |
0 |
0 |
0 |
0.013 |
Average: |
23.9 |
-0.7 |
0.317 |
0 |
0 |
0 |
0.013 |
|