## |
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 |
|
D |
485 |
116 |
26223 |
◊ |
B |
x,y,z |
1_555 |
475 |
113 |
26193 |
4386.9 |
-37.7 |
0.061 |
50 |
4 |
0 |
0.381 |
2 |
|
C |
477 |
114 |
26085 |
◊ |
A |
x,y,z |
1_555 |
481 |
113 |
26197 |
4358.4 |
-39.4 |
0.047 |
51 |
4 |
0 |
0.381 |
Average: |
4372.7 |
-38.5 |
0.054 |
51 |
4 |
0 |
0.381 |
2 |
3 |
|
D |
468 |
110 |
26223 |
◊ |
A |
x,y,z |
1_555 |
469 |
108 |
26197 |
4237.2 |
-31.5 |
0.087 |
64 |
31 |
0 |
0.412 |
4 |
|
C |
471 |
108 |
26085 |
◊ |
B |
x,y,z |
1_555 |
470 |
109 |
26193 |
4231.5 |
-32.1 |
0.097 |
69 |
36 |
0 |
0.412 |
Average: |
4234.4 |
-31.8 |
0.092 |
67 |
34 |
0 |
0.412 |
3 |
5 |
|
D |
233 |
64 |
26223 |
◊ |
C |
x,y,z |
1_555 |
236 |
64 |
26085 |
2264.3 |
-6.9 |
0.541 |
43 |
19 |
0 |
0.258 |
6 |
|
B |
235 |
64 |
26193 |
◊ |
A |
x,y,z |
1_555 |
234 |
64 |
26197 |
2244.0 |
-6.6 |
0.555 |
46 |
19 |
0 |
0.258 |
Average: |
2254.1 |
-6.7 |
0.548 |
45 |
19 |
0 |
0.258 |
4 |
7 |
|
C |
56 |
22 |
26085 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
15 |
26197 |
402.6 |
4.6 |
0.928 |
7 |
9 |
0 |
0.000 |
8 |
|
B |
39 |
14 |
26193 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
35 |
15 |
26223 |
316.1 |
3.0 |
0.846 |
6 |
10 |
0 |
0.000 |
Average: |
359.3 |
3.8 |
0.887 |
7 |
10 |
0 |
0.000 |
5 |
9 |
|
[HEM]C:501 |
43 |
1 |
800 |
f |
C |
x,y,z |
1_555 |
93 |
30 |
26085 |
385.2 |
-11.9 |
0.647 |
5 |
0 |
0 |
0.250 |
10 |
|
[HEM]B:501 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
92 |
30 |
26193 |
384.1 |
-13.1 |
0.585 |
6 |
0 |
0 |
0.250 |
11 |
|
[HEM]A:501 |
43 |
1 |
799 |
cf |
A |
x,y,z |
1_555 |
94 |
30 |
26197 |
380.3 |
-11.5 |
0.637 |
5 |
0 |
0 |
0.250 |
12 |
|
[HEM]D:501 |
43 |
1 |
805 |
f |
D |
x,y,z |
1_555 |
94 |
30 |
26223 |
377.5 |
-11.5 |
0.630 |
5 |
0 |
0 |
0.250 |
Average: |
381.8 |
-12.0 |
0.625 |
5 |
0 |
0 |
0.250 |
6 |
13 |
|
A |
44 |
11 |
26197 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
12 |
26223 |
384.9 |
-1.1 |
0.574 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
42 |
12 |
26193 |
◊ |
C |
x-1,y,z |
1_455 |
40 |
11 |
26085 |
332.7 |
-0.5 |
0.632 |
3 |
1 |
0 |
0.000 |
Average: |
358.8 |
-0.8 |
0.603 |
2 |
1 |
0 |
0.000 |
7 |
15 |
|
[HEM]D:502 |
42 |
1 |
810 |
cf |
D |
x,y,z |
1_555 |
96 |
30 |
26223 |
383.7 |
-11.8 |
0.609 |
5 |
0 |
0 |
0.246 |
16 |
|
[HEM]A:502 |
43 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
96 |
30 |
26197 |
381.1 |
-11.7 |
0.638 |
5 |
0 |
0 |
0.246 |
17 |
|
[HEM]B:502 |
43 |
1 |
808 |
cf |
B |
x,y,z |
1_555 |
95 |
30 |
26193 |
380.6 |
-11.5 |
0.654 |
5 |
0 |
0 |
0.246 |
18 |
|
[HEM]C:502 |
43 |
1 |
802 |
cf |
C |
x,y,z |
1_555 |
95 |
30 |
26085 |
371.0 |
-11.2 |
0.649 |
5 |
0 |
0 |
0.246 |
Average: |
379.1 |
-11.5 |
0.637 |
5 |
0 |
0 |
0.246 |
8 |
19 |
|
B |
33 |
12 |
26193 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
14 |
26197 |
264.3 |
-0.9 |
0.568 |
1 |
1 |
0 |
0.000 |
20 |
|
B |
27 |
10 |
26193 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
34 |
13 |
26197 |
221.3 |
0.6 |
0.719 |
2 |
4 |
0 |
0.000 |
Average: |
242.8 |
-0.1 |
0.644 |
2 |
3 |
0 |
0.000 |
9 |
21 |
|
C |
33 |
7 |
26085 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
26 |
7 |
26085 |
248.9 |
1.8 |
0.818 |
2 |
1 |
0 |
0.000 |
10 |
22 |
|
[HEM]D:502 |
43 |
1 |
810 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
41 |
1 |
805 |
247.5 |
-11.6 |
0.998 |
0 |
0 |
0 |
0.207 |
23 |
|
[HEM]B:502 |
43 |
1 |
808 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
42 |
1 |
812 |
246.8 |
-11.6 |
1.000 |
0 |
0 |
0 |
0.207 |
24 |
|
[HEM]A:502 |
41 |
1 |
811 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
43 |
1 |
799 |
245.9 |
-11.8 |
0.997 |
0 |
0 |
0 |
0.207 |
25 |
|
[HEM]C:502 |
43 |
1 |
802 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
40 |
1 |
800 |
244.9 |
-11.4 |
0.999 |
0 |
0 |
0 |
0.207 |
Average: |
246.3 |
-11.6 |
0.998 |
0 |
0 |
0 |
0.207 |
11 |
26 |
|
[HQE]D:503 |
8 |
1 |
246 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
26223 |
174.1 |
5.7 |
0.458 |
4 |
0 |
0 |
0.000 |
12 |
27 |
|
[HQE]A:503 |
8 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
26197 |
172.1 |
5.6 |
0.436 |
2 |
0 |
0 |
0.000 |
28 |
|
[HQE]B:503 |
8 |
1 |
246 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
26193 |
170.9 |
5.5 |
0.480 |
1 |
0 |
0 |
0.000 |
Average: |
171.5 |
5.6 |
0.458 |
2 |
0 |
0 |
0.000 |
13 |
29 |
|
[HQE]C:503 |
8 |
1 |
245 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
26085 |
171.3 |
5.5 |
0.533 |
1 |
0 |
0 |
0.000 |
14 |
30 |
|
D |
20 |
7 |
26223 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
26197 |
120.3 |
-0.5 |
0.468 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
14 |
5 |
26193 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
26085 |
89.9 |
-0.4 |
0.341 |
1 |
0 |
0 |
0.000 |
Average: |
105.1 |
-0.4 |
0.405 |
1 |
0 |
0 |
0.000 |
15 |
32 |
|
D |
8 |
3 |
26223 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
11 |
5 |
26223 |
83.8 |
0.6 |
0.636 |
2 |
0 |
0 |
0.000 |
16 |
33 |
|
[HEM]A:502 |
8 |
1 |
811 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26223 |
58.5 |
-1.5 |
0.401 |
0 |
0 |
0 |
0.019 |
34 |
|
[HEM]B:502 |
8 |
1 |
808 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
26085 |
55.9 |
-1.5 |
0.425 |
0 |
0 |
0 |
0.019 |
35 |
|
[HEM]D:502 |
7 |
1 |
810 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
26197 |
55.6 |
-1.5 |
0.429 |
0 |
0 |
0 |
0.019 |
36 |
|
[HEM]C:502 |
8 |
1 |
802 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26193 |
54.4 |
-1.4 |
0.449 |
0 |
0 |
0 |
0.019 |
Average: |
56.1 |
-1.5 |
0.426 |
0 |
0 |
0 |
0.019 |
17 |
37 |
|
[NA]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
26197 |
57.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.116 |
38 |
|
[NA]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
26193 |
57.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
57.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.116 |
18 |
39 |
|
B |
6 |
3 |
26193 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
26223 |
55.5 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
26085 |
54.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.119 |
41 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
26197 |
53.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.119 |
42 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
26223 |
53.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.119 |
43 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
26193 |
52.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
53.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.119 |
20 |
44 |
|
D |
6 |
2 |
26223 |
x |
D |
x-1,y,z |
1_455 |
6 |
2 |
26223 |
54.1 |
-0.1 |
0.579 |
0 |
1 |
0 |
0.000 |
45 |
|
B |
4 |
1 |
26193 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
26193 |
43.6 |
-0.2 |
0.499 |
1 |
1 |
0 |
0.000 |
Average: |
48.9 |
-0.2 |
0.539 |
1 |
1 |
0 |
0.000 |
21 |
46 |
|
[HEM]B:501 |
6 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
26085 |
50.7 |
-1.3 |
0.472 |
0 |
0 |
0 |
0.016 |
47 |
|
[HEM]C:501 |
6 |
1 |
800 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26193 |
49.7 |
-1.3 |
0.465 |
0 |
0 |
0 |
0.016 |
48 |
|
[HEM]D:501 |
6 |
1 |
805 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
26197 |
48.4 |
-1.2 |
0.470 |
0 |
0 |
0 |
0.016 |
49 |
|
[HEM]A:501 |
6 |
1 |
799 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26223 |
48.1 |
-1.3 |
0.461 |
0 |
0 |
0 |
0.016 |
Average: |
49.2 |
-1.3 |
0.467 |
0 |
0 |
0 |
0.016 |
22 |
50 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
26085 |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.074 |
51 |
|
[CL]D:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
26223 |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.074 |
52 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26193 |
47.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.074 |
53 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
26197 |
45.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
47.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.074 |
23 |
54 |
|
C |
6 |
3 |
26085 |
◊ |
[NA]A:506 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
39.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[NA]B:505 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
26223 |
39.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
39.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
56 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
26197 |
33.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.061 |
57 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
26223 |
32.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
58 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
26085 |
31.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.061 |
59 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26193 |
30.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
32.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.061 |
25 |
60 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
26085 |
27.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
61 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
26197 |
27.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.039 |
62 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
26193 |
26.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
63 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
26223 |
26.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
27.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
26 |
64 |
|
A |
3 |
2 |
26197 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
26085 |
9.1 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
27 |
65 |
|
[CL]A:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
26193 |
8.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
66 |
|
[CL]D:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
26085 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
67 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
26223 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
68 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
26197 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
|