| ## |
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 |
519 |
124 |
26371 |
◊ |
A |
x,y,z |
1_555 |
513 |
124 |
26428 |
4994.1 |
-45.5 |
0.022 |
66 |
15 |
0 |
0.604 |
2 |
|
D |
512 |
122 |
26174 |
◊ |
C |
x,y,z |
1_555 |
509 |
125 |
26223 |
4977.1 |
-46.7 |
0.016 |
66 |
17 |
0 |
0.604 |
| Average: |
4985.6 |
-46.1 |
0.019 |
66 |
16 |
0 |
0.604 |
| 2 |
3 |
|
D |
439 |
107 |
26174 |
◊ |
B |
x,y,z |
1_555 |
435 |
108 |
26371 |
3896.2 |
-39.7 |
0.024 |
59 |
23 |
0 |
0.560 |
4 |
|
C |
428 |
105 |
26223 |
◊ |
A |
x,y,z |
1_555 |
429 |
104 |
26428 |
3827.8 |
-38.6 |
0.027 |
56 |
22 |
0 |
0.560 |
| Average: |
3862.0 |
-39.2 |
0.025 |
58 |
23 |
0 |
0.560 |
| 3 |
5 |
|
C |
315 |
88 |
26223 |
◊ |
B |
x,y,z |
1_555 |
322 |
87 |
26371 |
2873.1 |
-14.5 |
0.394 |
59 |
14 |
0 |
0.444 |
6 |
|
D |
321 |
90 |
26174 |
◊ |
A |
x,y,z |
1_555 |
318 |
88 |
26428 |
2869.2 |
-15.3 |
0.375 |
56 |
13 |
0 |
0.444 |
| Average: |
2871.1 |
-14.9 |
0.385 |
58 |
14 |
0 |
0.444 |
| 4 |
7 |
|
[HEM]B:3001 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
93 |
28 |
26371 |
557.3 |
-19.2 |
0.467 |
5 |
0 |
0 |
0.449 |
8 |
|
[HEM]C:3002 |
43 |
1 |
817 |
f |
C |
x,y,z |
1_555 |
94 |
29 |
26223 |
553.7 |
-17.5 |
0.579 |
5 |
0 |
0 |
0.449 |
9 |
|
[HEM]D:3003 |
43 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
98 |
29 |
26174 |
553.7 |
-19.2 |
0.472 |
5 |
0 |
0 |
0.449 |
10 |
|
[HEM]A:3000 |
43 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
95 |
27 |
26428 |
551.9 |
-19.0 |
0.477 |
5 |
0 |
0 |
0.449 |
| Average: |
554.1 |
-18.7 |
0.499 |
5 |
0 |
0 |
0.449 |
| 5 |
11 |
|
[NDP]B:1517 |
44 |
1 |
787 |
f |
B |
x,y,z |
1_555 |
69 |
24 |
26371 |
550.7 |
-1.9 |
0.580 |
10 |
0 |
0 |
0.138 |
12 |
|
[NDP]A:1518 |
46 |
1 |
787 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
26428 |
550.3 |
-2.0 |
0.593 |
7 |
0 |
0 |
0.138 |
13 |
|
[NDP]D:1518 |
45 |
1 |
791 |
f |
D |
x,y,z |
1_555 |
75 |
24 |
26174 |
550.0 |
-2.3 |
0.552 |
6 |
0 |
0 |
0.138 |
14 |
|
[NDP]C:1517 |
44 |
1 |
784 |
f |
C |
x,y,z |
1_555 |
71 |
24 |
26223 |
546.2 |
-2.9 |
0.512 |
10 |
0 |
0 |
0.138 |
| Average: |
549.3 |
-2.3 |
0.559 |
8 |
0 |
0 |
0.138 |
| 6 |
15 |
|
C |
40 |
13 |
26223 |
◊ |
D |
-y-1,x-y,z |
2_455 |
41 |
12 |
26174 |
395.9 |
3.9 |
0.919 |
8 |
9 |
0 |
0.000 |
| 7 |
16 |
|
D |
21 |
6 |
26174 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
21 |
8 |
26371 |
167.1 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[BTB]D:1517 |
9 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
26174 |
123.4 |
2.3 |
0.136 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[BTB]D:1517 |
11 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
26223 |
122.5 |
3.1 |
0.067 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
A |
18 |
7 |
26428 |
◊ |
B |
-x-1,-y,z-1/2 |
4_454 |
18 |
6 |
26371 |
117.9 |
-1.7 |
0.356 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
C |
18 |
9 |
26223 |
x |
C |
-y,x-y+1,z |
2_565 |
14 |
4 |
26223 |
114.7 |
1.0 |
0.768 |
1 |
2 |
0 |
0.000 |
| 12 |
21 |
|
D |
12 |
7 |
26174 |
x |
D |
-y,x-y,z |
2_555 |
15 |
7 |
26174 |
110.0 |
0.2 |
0.660 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[EDO]B:1522 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
26371 |
101.9 |
2.1 |
0.443 |
2 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EDO]D:1521 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
26174 |
101.9 |
2.0 |
0.444 |
3 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[EDO]C:1518 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
26223 |
85.7 |
2.2 |
0.478 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:1519 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
26371 |
83.2 |
2.1 |
0.470 |
1 |
0 |
0 |
0.000 |
| Average: |
84.5 |
2.2 |
0.474 |
1 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[EDO]D:1519 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
26174 |
85.3 |
2.2 |
0.465 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:1520 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
26428 |
85.2 |
2.2 |
0.477 |
1 |
0 |
0 |
0.000 |
| Average: |
85.2 |
2.2 |
0.471 |
1 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EDO]D:1521 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
26223 |
74.5 |
2.7 |
0.558 |
1 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[EDO]B:1522 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
26428 |
74.3 |
2.8 |
0.326 |
1 |
0 |
0 |
0.000 |
| 19 |
30 |
|
B |
9 |
5 |
26371 |
◊ |
A |
x-y,x,z+1/2 |
6_555 |
8 |
4 |
26428 |
73.2 |
1.8 |
0.833 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[HEM]A:3000 |
6 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
26223 |
66.5 |
-1.5 |
0.556 |
0 |
0 |
0 |
0.024 |
32 |
|
[HEM]C:3002 |
6 |
1 |
817 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
26428 |
66.1 |
-1.5 |
0.564 |
0 |
0 |
0 |
0.024 |
33 |
|
[HEM]B:3001 |
6 |
1 |
820 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
26174 |
65.5 |
-1.5 |
0.559 |
0 |
0 |
0 |
0.024 |
34 |
|
[HEM]D:3003 |
8 |
1 |
819 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26371 |
65.2 |
-1.5 |
0.602 |
0 |
0 |
0 |
0.024 |
| Average: |
65.9 |
-1.5 |
0.570 |
0 |
0 |
0 |
0.024 |
| 21 |
35 |
|
[NO]D:1520 |
2 |
1 |
128 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
26174 |
61.8 |
-1.7 |
0.691 |
0 |
0 |
0 |
0.018 |
| 22 |
36 |
|
[NO]A:1519 |
2 |
1 |
127 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
26428 |
61.3 |
-1.6 |
0.701 |
0 |
0 |
0 |
0.017 |
| 23 |
37 |
|
[NO]B:1520 |
2 |
1 |
128 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
26371 |
60.8 |
-2.2 |
0.566 |
0 |
0 |
0 |
0.022 |
| 24 |
38 |
|
[NO]C:1519 |
2 |
1 |
127 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
26223 |
60.7 |
-1.6 |
0.698 |
0 |
0 |
0 |
0.016 |
| 25 |
39 |
|
[EDO]B:1519 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
26428 |
58.5 |
1.6 |
0.242 |
1 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[EDO]A:1520 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26371 |
58.4 |
1.6 |
0.240 |
1 |
0 |
0 |
0.000 |
41 |
|
[EDO]D:1519 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
26223 |
57.9 |
1.6 |
0.246 |
1 |
0 |
0 |
0.000 |
| Average: |
58.2 |
1.6 |
0.243 |
1 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[EDO]C:1518 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
26174 |
58.2 |
1.5 |
0.466 |
1 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[EDO]B:1521 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
26428 |
53.0 |
0.9 |
0.213 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[EDO]B:1521 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
26174 |
51.9 |
0.9 |
0.223 |
0 |
0 |
0 |
0.000 |
| 30 |
45 |
|
C |
5 |
1 |
26223 |
◊ |
A |
-y-1,x-y,z |
2_455 |
4 |
1 |
26428 |
45.7 |
-0.5 |
0.370 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
4 |
1 |
26371 |
◊ |
D |
-y-1,x-y,z |
2_455 |
5 |
1 |
26174 |
43.5 |
-0.6 |
0.344 |
0 |
0 |
0 |
0.000 |
| Average: |
44.6 |
-0.6 |
0.357 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
B |
6 |
3 |
26371 |
◊ |
D |
x-y,x,z+1/2 |
6_555 |
4 |
1 |
26174 |
43.1 |
-0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
[HEM]B:3001 |
15 |
1 |
820 |
cf |
[NO]B:1520 |
x,y,z |
1_555 |
2 |
1 |
128 |
40.3 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.015 |
| 33 |
49 |
|
[HEM]D:3003 |
15 |
1 |
819 |
cf |
[NO]D:1520 |
x,y,z |
1_555 |
2 |
1 |
128 |
40.1 |
-1.6 |
0.866 |
0 |
0 |
0 |
0.016 |
| 34 |
50 |
|
[HEM]C:3002 |
15 |
1 |
817 |
cf |
[NO]C:1519 |
x,y,z |
1_555 |
2 |
1 |
127 |
40.0 |
-1.6 |
0.866 |
0 |
0 |
0 |
0.016 |
| 35 |
51 |
|
[HEM]A:3000 |
15 |
1 |
812 |
cf |
[NO]A:1519 |
x,y,z |
1_555 |
2 |
1 |
127 |
39.6 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.016 |
| 36 |
52 |
|
[EDO]B:1521 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
26371 |
37.4 |
0.4 |
0.634 |
1 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[EDO]B:1521 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
26223 |
37.2 |
0.4 |
0.643 |
1 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[CL]A:1517 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26371 |
34.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.076 |
55 |
|
[CL]A:1517 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
26223 |
34.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
56 |
|
[CL]B:1518 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26174 |
34.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.076 |
57 |
|
[CL]B:1518 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
26428 |
34.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
34.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
| 39 |
58 |
|
[CL]A:1517 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
26174 |
26.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
59 |
|
[CL]B:1518 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
26223 |
25.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
60 |
|
[CL]B:1518 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
26371 |
25.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
61 |
|
[CL]A:1517 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
26428 |
25.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
25.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
| 40 |
62 |
|
[EDO]A:1520 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
26223 |
18.8 |
0.8 |
0.977 |
0 |
0 |
0 |
0.000 |
63 |
|
[EDO]D:1519 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
26371 |
18.1 |
0.8 |
0.974 |
0 |
0 |
0 |
0.000 |
| Average: |
18.5 |
0.8 |
0.975 |
0 |
0 |
0 |
0.000 |
| 41 |
64 |
|
[EDO]B:1519 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
26174 |
18.1 |
0.8 |
0.975 |
0 |
0 |
0 |
0.000 |
| 42 |
65 |
|
[EDO]C:1518 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
26428 |
17.7 |
0.8 |
0.975 |
0 |
0 |
0 |
0.000 |
| 43 |
66 |
|
C |
1 |
1 |
26223 |
◊ |
B |
-x-1,-y,z-1/2 |
4_454 |
3 |
1 |
26371 |
8.4 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
D |
1 |
1 |
26174 |
◊ |
C |
-y,x-y,z |
2_555 |
1 |
1 |
26223 |
7.7 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
B |
1 |
1 |
26371 |
◊ |
C |
x-y,x,z+1/2 |
6_555 |
1 |
1 |
26223 |
5.9 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
A |
1 |
1 |
26428 |
◊ |
C |
-x-1,-y,z-1/2 |
4_454 |
1 |
1 |
26223 |
0.9 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 47 |
70 |
|
A |
1 |
1 |
26428 |
◊ |
B |
-y-1,x-y,z |
2_455 |
1 |
1 |
26371 |
0.7 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
|