## |
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 |
|
[HEM]F:500 |
43 |
1 |
825 |
f |
F |
x,y,z |
1_555 |
79 |
33 |
20199 |
620.5 |
-24.4 |
0.218 |
9 |
0 |
0 |
0.568 |
2 |
|
[HEM]E:500 |
43 |
1 |
823 |
f |
E |
x,y,z |
1_555 |
82 |
33 |
20294 |
592.4 |
-20.3 |
0.448 |
7 |
0 |
0 |
0.568 |
3 |
|
[HEM]B:500 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
82 |
34 |
20337 |
591.3 |
-21.3 |
0.351 |
7 |
0 |
0 |
0.568 |
4 |
|
[HEM]D:500 |
43 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
81 |
33 |
20097 |
590.6 |
-21.2 |
0.358 |
7 |
0 |
0 |
0.568 |
5 |
|
[HEM]A:500 |
43 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
79 |
33 |
20099 |
588.4 |
-21.3 |
0.376 |
8 |
0 |
0 |
0.568 |
6 |
|
[HEM]C:500 |
43 |
1 |
800 |
f |
C |
x,y,z |
1_555 |
79 |
33 |
20470 |
581.7 |
-21.1 |
0.341 |
8 |
0 |
0 |
0.568 |
Average: |
594.1 |
-21.6 |
0.349 |
8 |
0 |
0 |
0.568 |
2 |
7 |
|
E |
54 |
17 |
20294 |
◊ |
C |
x,y,z |
1_555 |
62 |
21 |
20470 |
544.7 |
-0.8 |
0.627 |
4 |
1 |
0 |
0.000 |
8 |
|
A |
62 |
19 |
20099 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
14 |
20097 |
537.8 |
-1.1 |
0.608 |
4 |
0 |
0 |
0.000 |
9 |
|
B |
61 |
18 |
20337 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
20099 |
512.4 |
-0.9 |
0.613 |
3 |
0 |
0 |
0.000 |
10 |
|
E |
58 |
19 |
20294 |
◊ |
F |
x-1,y,z |
1_455 |
48 |
15 |
20199 |
499.5 |
-0.7 |
0.622 |
3 |
0 |
0 |
0.000 |
11 |
|
B |
43 |
14 |
20337 |
◊ |
D |
x-1,y,z |
1_455 |
57 |
19 |
20097 |
497.7 |
-1.8 |
0.447 |
3 |
0 |
0 |
0.000 |
12 |
|
C |
45 |
15 |
20470 |
◊ |
F |
x-1,y,z |
1_455 |
55 |
19 |
20199 |
494.4 |
0.0 |
0.680 |
3 |
0 |
0 |
0.000 |
Average: |
514.5 |
-0.9 |
0.599 |
3 |
0 |
0 |
0.000 |
3 |
13 |
|
A |
35 |
12 |
20099 |
◊ |
B |
x,y-1,z |
1_545 |
42 |
13 |
20337 |
331.8 |
0.9 |
0.700 |
2 |
1 |
0 |
0.000 |
14 |
|
D |
29 |
11 |
20097 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
8 |
20337 |
257.2 |
2.5 |
0.845 |
0 |
2 |
0 |
0.000 |
Average: |
294.5 |
1.7 |
0.773 |
1 |
2 |
0 |
0.000 |
4 |
15 |
|
C |
30 |
10 |
20470 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
20099 |
325.4 |
-9.6 |
0.003 |
0 |
0 |
0 |
0.111 |
16 |
|
E |
31 |
9 |
20294 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
20337 |
317.8 |
-9.5 |
0.004 |
0 |
0 |
0 |
0.111 |
17 |
|
F |
32 |
10 |
20199 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
20097 |
304.2 |
-9.1 |
0.005 |
0 |
0 |
0 |
0.111 |
Average: |
315.8 |
-9.4 |
0.004 |
0 |
0 |
0 |
0.111 |
5 |
18 |
|
C |
26 |
9 |
20470 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
31 |
12 |
20337 |
310.6 |
-1.7 |
0.404 |
1 |
0 |
0 |
0.000 |
6 |
19 |
|
[CM5]B:608 |
28 |
1 |
665 |
f |
B |
x,y,z |
1_555 |
36 |
10 |
20337 |
310.5 |
-0.5 |
0.221 |
1 |
0 |
0 |
0.002 |
7 |
20 |
|
[CM5]D:607 |
24 |
1 |
732 |
◊ |
D |
x,y,z |
1_555 |
37 |
9 |
20097 |
278.9 |
1.8 |
0.476 |
0 |
0 |
0 |
0.000 |
8 |
21 |
|
[3QU]B:501 |
16 |
1 |
392 |
f |
B |
x,y,z |
1_555 |
38 |
17 |
20337 |
262.1 |
-6.1 |
0.159 |
0 |
0 |
0 |
0.020 |
22 |
|
[3QU]D:501 |
13 |
1 |
355 |
f |
D |
x,y,z |
1_555 |
37 |
16 |
20097 |
240.0 |
-7.3 |
0.189 |
0 |
0 |
0 |
0.020 |
Average: |
251.1 |
-6.7 |
0.174 |
0 |
0 |
0 |
0.020 |
9 |
23 |
|
[3QU]E:501 |
13 |
1 |
359 |
f |
E |
x,y,z |
1_555 |
40 |
18 |
20294 |
245.2 |
-7.5 |
0.193 |
0 |
0 |
0 |
0.020 |
10 |
24 |
|
[CM5]B:602 |
20 |
1 |
693 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20337 |
203.7 |
3.8 |
0.623 |
1 |
0 |
0 |
0.000 |
11 |
25 |
|
E |
21 |
5 |
20294 |
◊ |
D |
-y-1,x-y,z-1/3 |
2_454 |
27 |
8 |
20097 |
196.1 |
0.5 |
0.680 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
[CM5]F:606 |
22 |
1 |
731 |
f |
F |
x,y,z |
1_555 |
24 |
6 |
20199 |
193.8 |
-2.0 |
0.447 |
2 |
0 |
0 |
0.009 |
13 |
27 |
|
[CM5]D:604 |
19 |
1 |
680 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
20097 |
189.3 |
-0.7 |
0.481 |
3 |
0 |
0 |
0.006 |
14 |
28 |
|
[CM5]E:605 |
19 |
1 |
721 |
f |
E |
x,y,z |
1_555 |
23 |
6 |
20294 |
184.8 |
-3.1 |
0.342 |
2 |
0 |
0 |
0.030 |
29 |
|
[CM5]C:603 |
18 |
1 |
702 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
20470 |
176.9 |
-1.7 |
0.430 |
2 |
0 |
0 |
0.030 |
Average: |
180.9 |
-2.4 |
0.386 |
2 |
0 |
0 |
0.030 |
15 |
30 |
|
[CM5]A:601 |
18 |
1 |
700 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
20099 |
183.5 |
-1.5 |
0.383 |
3 |
0 |
0 |
0.032 |
16 |
31 |
|
E |
22 |
6 |
20294 |
◊ |
F |
x-1,y+1,z |
1_465 |
15 |
5 |
20199 |
148.6 |
-1.6 |
0.274 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
[3QU]A:501 |
7 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
20099 |
146.6 |
-4.4 |
0.254 |
0 |
0 |
0 |
0.051 |
18 |
33 |
|
[3QU]C:501 |
7 |
1 |
249 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
20470 |
144.2 |
-4.3 |
0.240 |
0 |
0 |
0 |
0.049 |
19 |
34 |
|
[CM5]C:603 |
19 |
1 |
702 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
20099 |
141.2 |
-2.7 |
0.215 |
0 |
0 |
0 |
0.031 |
35 |
|
[CM5]E:605 |
15 |
1 |
721 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
20337 |
113.2 |
-1.3 |
0.110 |
0 |
0 |
0 |
0.031 |
Average: |
127.2 |
-2.0 |
0.163 |
0 |
0 |
0 |
0.031 |
20 |
36 |
|
[CM5]F:606 |
15 |
1 |
731 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
20097 |
122.5 |
-0.9 |
0.122 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[CM5]D:604 |
16 |
1 |
680 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
20199 |
121.0 |
-1.6 |
0.139 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
[CM5]A:601 |
15 |
1 |
700 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
20470 |
117.3 |
-0.3 |
0.139 |
0 |
0 |
0 |
0.003 |
23 |
39 |
|
[CM5]B:602 |
17 |
1 |
693 |
◊ |
E |
x,y,z |
1_555 |
13 |
4 |
20294 |
113.7 |
-1.6 |
0.212 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[CM5]C:603 |
9 |
1 |
702 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
20294 |
108.0 |
-2.1 |
0.213 |
1 |
0 |
0 |
0.000 |
41 |
|
[CM5]E:605 |
10 |
1 |
721 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
3 |
20199 |
94.5 |
-1.0 |
0.268 |
0 |
0 |
0 |
0.000 |
Average: |
101.3 |
-1.5 |
0.241 |
1 |
0 |
0 |
0.000 |
25 |
42 |
|
C |
15 |
7 |
20470 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
11 |
4 |
20099 |
98.2 |
-0.9 |
0.443 |
0 |
1 |
0 |
0.000 |
26 |
43 |
|
D |
16 |
4 |
20097 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20099 |
96.9 |
-1.2 |
0.381 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
E |
11 |
4 |
20294 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
18 |
6 |
20337 |
95.8 |
2.4 |
0.864 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[CM5]A:601 |
13 |
1 |
700 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
20097 |
88.6 |
-1.2 |
0.293 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
B |
8 |
3 |
20337 |
◊ |
[CM5]D:604 |
x-1,y,z |
1_455 |
9 |
1 |
680 |
78.2 |
-0.9 |
0.258 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
C |
9 |
3 |
20470 |
◊ |
[CM5]F:606 |
x-1,y,z |
1_455 |
8 |
1 |
731 |
77.7 |
-0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[CM5]B:608 |
10 |
1 |
665 |
f |
[CM5]D:607 |
x-1,y,z |
1_455 |
7 |
1 |
732 |
73.2 |
-6.0 |
0.163 |
0 |
0 |
0 |
0.015 |
32 |
49 |
|
[CM5]B:602 |
10 |
1 |
693 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20099 |
72.3 |
-3.4 |
0.151 |
0 |
0 |
0 |
0.039 |
33 |
50 |
|
[3QU]D:501 |
5 |
1 |
355 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
24 |
1 |
826 |
66.4 |
-2.2 |
0.967 |
0 |
0 |
0 |
0.006 |
51 |
|
[3QU]B:501 |
3 |
1 |
392 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
23 |
1 |
825 |
65.3 |
-2.3 |
0.564 |
0 |
0 |
0 |
0.006 |
Average: |
65.9 |
-2.3 |
0.766 |
0 |
0 |
0 |
0.006 |
34 |
52 |
|
[3QU]E:501 |
4 |
1 |
359 |
f |
[HEM]E:500 |
x,y,z |
1_555 |
22 |
1 |
823 |
66.2 |
-2.2 |
0.924 |
0 |
0 |
0 |
0.006 |
35 |
53 |
|
[3QU]A:501 |
3 |
1 |
249 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
23 |
1 |
825 |
65.6 |
-2.2 |
0.900 |
0 |
0 |
0 |
0.025 |
36 |
54 |
|
[3QU]C:501 |
3 |
1 |
249 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
24 |
1 |
800 |
64.9 |
-2.2 |
0.900 |
0 |
0 |
0 |
0.025 |
37 |
55 |
|
[CM5]D:607 |
6 |
1 |
732 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
20199 |
41.0 |
0.4 |
0.283 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[CM5]E:605 |
6 |
1 |
721 |
◊ |
[CM5]D:604 |
x-1,y,z |
1_455 |
6 |
1 |
680 |
39.5 |
1.8 |
0.666 |
0 |
0 |
0 |
0.000 |
39 |
57 |
|
[CM5]C:603 |
3 |
1 |
702 |
◊ |
[CM5]B:602 |
x,y,z |
1_555 |
6 |
1 |
693 |
37.2 |
-2.7 |
0.265 |
1 |
0 |
0 |
0.037 |
40 |
58 |
|
C |
7 |
3 |
20470 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
7 |
3 |
20097 |
37.0 |
1.3 |
0.787 |
0 |
0 |
0 |
0.000 |
41 |
59 |
|
[CM5]D:607 |
5 |
1 |
732 |
◊ |
[CM5]D:604 |
x,y,z |
1_555 |
4 |
1 |
680 |
32.7 |
-0.6 |
0.382 |
0 |
0 |
0 |
0.000 |
42 |
60 |
|
[CM5]B:608 |
5 |
1 |
665 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
20294 |
30.7 |
0.5 |
0.345 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
[CM5]B:608 |
5 |
1 |
665 |
◊ |
[CM5]B:602 |
x,y,z |
1_555 |
3 |
1 |
693 |
30.6 |
1.1 |
0.663 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
[CM5]A:601 |
5 |
1 |
700 |
◊ |
[CM5]F:606 |
x-1,y,z |
1_455 |
4 |
1 |
731 |
29.6 |
1.7 |
0.667 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
E |
1 |
1 |
20294 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20099 |
21.0 |
-0.7 |
0.132 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
3 |
1 |
20470 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
20097 |
20.2 |
-0.6 |
0.220 |
0 |
0 |
0 |
0.000 |
65 |
|
B |
2 |
1 |
20337 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
20199 |
18.5 |
-0.6 |
0.203 |
0 |
0 |
0 |
0.000 |
Average: |
19.9 |
-0.6 |
0.185 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
F |
6 |
3 |
20199 |
◊ |
E |
x,y-1,z |
1_545 |
4 |
2 |
20294 |
16.6 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
47 |
67 |
|
F |
2 |
1 |
20199 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
1 |
20337 |
14.9 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
48 |
68 |
|
F |
2 |
2 |
20199 |
◊ |
D |
-y,x-y-1,z-1/3 |
2_544 |
3 |
2 |
20097 |
13.9 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
F |
1 |
1 |
20199 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
20470 |
8.5 |
-0.0 |
0.417 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
B |
2 |
2 |
20337 |
f |
[CM5]D:607 |
x-1,y,z |
1_455 |
2 |
1 |
732 |
3.2 |
-0.2 |
0.474 |
0 |
0 |
0 |
0.000 |
51 |
71 |
|
[CM5]F:606 |
1 |
1 |
731 |
◊ |
[CM5]D:607 |
x,y,z |
1_555 |
1 |
1 |
732 |
0.2 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
|