## |
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]A:150 |
43 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
71 |
21 |
6364 |
565.8 |
-19.6 |
0.389 |
0 |
0 |
0 |
0.244 |
2 |
|
[HEM]B:150 |
43 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
76 |
21 |
6387 |
564.4 |
-19.2 |
0.399 |
0 |
0 |
0 |
0.244 |
3 |
|
[HEM]D:150 |
43 |
1 |
825 |
cf |
D |
x,y,z |
1_555 |
72 |
21 |
6236 |
560.5 |
-19.4 |
0.365 |
0 |
0 |
0 |
0.244 |
4 |
|
[HEM]C:150 |
43 |
1 |
821 |
cf |
C |
x,y,z |
1_555 |
69 |
20 |
6422 |
542.8 |
-19.6 |
0.321 |
0 |
0 |
0 |
0.244 |
Average: |
558.4 |
-19.5 |
0.368 |
0 |
0 |
0 |
0.244 |
2 |
5 |
|
B |
51 |
13 |
6387 |
◊ |
B |
-x-4/3,-x+y-2/3,-z+1/3 |
12_345 |
50 |
12 |
6387 |
429.3 |
3.1 |
0.867 |
8 |
4 |
0 |
0.000 |
3 |
6 |
|
B |
45 |
14 |
6387 |
x |
C |
-y,x-y+1,z |
2_565 |
49 |
11 |
6422 |
375.1 |
-6.4 |
0.126 |
2 |
2 |
0 |
0.062 |
7 |
|
D |
50 |
12 |
6236 |
x |
C |
x,y,z |
1_555 |
43 |
15 |
6422 |
354.5 |
-5.3 |
0.220 |
2 |
3 |
0 |
0.062 |
8 |
|
A |
43 |
11 |
6364 |
x |
A |
-y,x-y+1,z |
2_565 |
39 |
13 |
6364 |
339.7 |
-5.4 |
0.177 |
2 |
2 |
0 |
0.062 |
9 |
|
B |
34 |
11 |
6387 |
x |
D |
-y,x-y+1,z |
2_565 |
32 |
12 |
6236 |
296.3 |
-3.6 |
0.274 |
1 |
2 |
0 |
0.062 |
Average: |
341.4 |
-5.2 |
0.199 |
2 |
2 |
0 |
0.062 |
4 |
10 |
|
[HEM]E:150 |
34 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
6387 |
297.3 |
-9.7 |
0.444 |
1 |
0 |
0 |
0.123 |
5 |
11 |
|
A |
32 |
12 |
6364 |
◊ |
C |
-y,x-y+1,z |
2_565 |
30 |
11 |
6422 |
270.8 |
4.5 |
0.934 |
3 |
8 |
0 |
0.000 |
12 |
|
D |
31 |
11 |
6236 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
6387 |
261.3 |
4.8 |
0.943 |
5 |
8 |
0 |
0.000 |
Average: |
266.1 |
4.7 |
0.938 |
4 |
8 |
0 |
0.000 |
6 |
13 |
|
E |
18 |
4 |
1042 |
◊ |
D |
-y,x-y+1,z |
2_565 |
21 |
9 |
6236 |
202.9 |
-4.5 |
0.202 |
1 |
0 |
0 |
0.014 |
7 |
14 |
|
[HEM]E:150 |
29 |
1 |
818 |
cf |
E |
x,y,z |
1_555 |
16 |
5 |
1042 |
183.3 |
-8.0 |
0.398 |
0 |
0 |
0 |
0.100 |
8 |
15 |
|
A |
26 |
7 |
6364 |
◊ |
A |
-x-2/3,-x+y-1/3,-z-1/3 |
18_444 |
25 |
7 |
6364 |
176.0 |
-3.0 |
0.329 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
20 |
7 |
6364 |
◊ |
C |
-x-1,-x+y-1,-z |
6_445 |
22 |
7 |
6422 |
156.6 |
3.5 |
0.910 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
[HEM]E:150 |
16 |
1 |
818 |
◊ |
C |
-y,x-y+1,z |
2_565 |
21 |
6 |
6422 |
154.2 |
-4.3 |
0.515 |
0 |
0 |
0 |
0.054 |
11 |
18 |
|
C |
18 |
8 |
6422 |
◊ |
C |
y-1,x+1,-z |
4_465 |
18 |
8 |
6422 |
147.4 |
5.7 |
0.977 |
4 |
2 |
0 |
0.000 |
12 |
19 |
|
D |
18 |
5 |
6236 |
◊ |
D |
-x-4/3,-x+y-2/3,-z+1/3 |
12_345 |
18 |
5 |
6236 |
138.2 |
-0.4 |
0.594 |
2 |
2 |
0 |
0.000 |
13 |
20 |
|
E |
14 |
4 |
1042 |
◊ |
C |
-y,x-y+1,z |
2_565 |
15 |
6 |
6422 |
116.4 |
-3.7 |
0.233 |
0 |
0 |
0 |
0.047 |
14 |
21 |
|
D |
12 |
4 |
6236 |
x |
D |
-y,x-y+1,z |
2_565 |
12 |
3 |
6236 |
116.1 |
-0.1 |
0.594 |
1 |
2 |
0 |
0.005 |
22 |
|
B |
12 |
3 |
6387 |
x |
A |
x,y,z |
1_555 |
15 |
4 |
6364 |
114.1 |
-0.1 |
0.612 |
1 |
2 |
0 |
0.005 |
23 |
|
C |
12 |
3 |
6422 |
x |
B |
x,y,z |
1_555 |
14 |
4 |
6387 |
114.1 |
-0.2 |
0.596 |
0 |
2 |
0 |
0.005 |
24 |
|
C |
11 |
4 |
6422 |
x |
A |
x,y,z |
1_555 |
12 |
3 |
6364 |
108.6 |
-0.2 |
0.592 |
0 |
1 |
0 |
0.005 |
Average: |
113.2 |
-0.2 |
0.599 |
1 |
2 |
0 |
0.005 |
15 |
25 |
|
E |
11 |
5 |
1042 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
6387 |
115.5 |
-1.4 |
0.503 |
0 |
0 |
0 |
0.017 |
16 |
26 |
|
B |
11 |
2 |
6387 |
◊ |
C |
y-4/3,x+1/3,-z+1/3 |
10_355 |
15 |
7 |
6422 |
100.7 |
-0.4 |
0.557 |
1 |
0 |
0 |
0.000 |
17 |
27 |
|
[ACT]B:151 |
4 |
1 |
183 |
◊ |
C |
-y,x-y+1,z |
2_565 |
13 |
4 |
6422 |
71.7 |
-0.1 |
0.680 |
1 |
0 |
0 |
0.002 |
18 |
28 |
|
[ACT]D:151 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
6236 |
70.5 |
-0.8 |
0.560 |
1 |
0 |
0 |
0.009 |
29 |
|
B |
11 |
4 |
6387 |
◊ |
[ACT]D:107 |
-y,x-y+1,z |
2_565 |
4 |
1 |
182 |
69.4 |
-0.8 |
0.531 |
2 |
0 |
0 |
0.009 |
Average: |
69.9 |
-0.8 |
0.545 |
2 |
0 |
0 |
0.009 |
19 |
30 |
|
A |
12 |
4 |
6364 |
◊ |
[ACT]A:151 |
-y,x-y+1,z |
2_565 |
4 |
1 |
182 |
69.4 |
0.9 |
0.833 |
2 |
0 |
0 |
0.000 |
20 |
31 |
|
[ACT]A:151 |
4 |
1 |
182 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
6364 |
65.1 |
-1.9 |
0.166 |
0 |
0 |
0 |
0.018 |
21 |
32 |
|
[ACT]D:107 |
4 |
1 |
182 |
cf |
D |
x,y,z |
1_555 |
8 |
3 |
6236 |
63.9 |
-1.8 |
0.128 |
1 |
0 |
0 |
0.023 |
33 |
|
[ACT]D:151 |
4 |
1 |
183 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
6422 |
62.4 |
-1.9 |
0.131 |
0 |
0 |
0 |
0.023 |
Average: |
63.1 |
-1.8 |
0.130 |
1 |
0 |
0 |
0.023 |
22 |
34 |
|
[HEM]A:150 |
5 |
1 |
830 |
◊ |
C |
-x-1,-x+y-1,-z |
6_445 |
6 |
2 |
6422 |
63.7 |
-1.6 |
0.659 |
2 |
0 |
0 |
0.000 |
23 |
35 |
|
[ACT]B:151 |
4 |
1 |
183 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
6387 |
62.0 |
-1.8 |
0.120 |
1 |
0 |
0 |
0.028 |
24 |
36 |
|
[ZN]D:109 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
6236 |
42.3 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.322 |
37 |
|
[ZN]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
6387 |
42.0 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.322 |
38 |
|
[ZN]B:111 |
1 |
1 |
98 |
f |
C |
-y,x-y+1,z |
2_565 |
5 |
2 |
6422 |
41.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.322 |
39 |
|
[ZN]A:107 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6364 |
41.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.322 |
Average: |
41.9 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.322 |
25 |
40 |
|
[HEM]C:150 |
5 |
1 |
821 |
◊ |
C |
y-1,x+1,-z |
4_465 |
3 |
1 |
6422 |
40.8 |
-0.5 |
0.841 |
1 |
0 |
0 |
0.000 |
26 |
41 |
|
[ZN]B:108 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6387 |
36.3 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.238 |
42 |
|
[ZN]A:108 |
1 |
1 |
98 |
◊ |
C |
-y,x-y+1,z |
2_565 |
5 |
2 |
6422 |
36.1 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.238 |
43 |
|
[ZN]B:108 |
1 |
1 |
98 |
c |
D |
x,y,z |
1_555 |
5 |
2 |
6236 |
36.0 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.238 |
44 |
|
[ZN]A:108 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6364 |
36.0 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
36.1 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.238 |
27 |
45 |
|
[ZN]D:108 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6236 |
32.8 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.210 |
46 |
|
[ZN]B:110 |
1 |
1 |
98 |
cf |
C |
-y,x-y+1,z |
2_565 |
5 |
3 |
6422 |
32.7 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.210 |
47 |
|
[ZN]A:109 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6364 |
32.7 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.210 |
48 |
|
[ZN]B:109 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6387 |
32.6 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.210 |
Average: |
32.7 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.210 |
28 |
49 |
|
[ZN]B:107 |
1 |
1 |
98 |
◊ |
D |
-y,x-y+1,z |
2_565 |
3 |
1 |
6236 |
32.1 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.123 |
50 |
|
[ZN]D:109 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6422 |
31.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.123 |
51 |
|
[ZN]B:111 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6387 |
31.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.123 |
52 |
|
[ZN]A:107 |
1 |
1 |
98 |
◊ |
A |
-y,x-y+1,z |
2_565 |
3 |
1 |
6364 |
30.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
31.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.123 |
29 |
53 |
|
[ZN]A:109 |
1 |
1 |
98 |
◊ |
A |
-y,x-y+1,z |
2_565 |
4 |
2 |
6364 |
31.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.129 |
54 |
|
[ZN]B:109 |
1 |
1 |
98 |
◊ |
D |
-y,x-y+1,z |
2_565 |
5 |
2 |
6236 |
30.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.129 |
55 |
|
[ZN]B:110 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6387 |
29.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.129 |
56 |
|
[ZN]D:108 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6422 |
29.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
30.2 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.129 |
30 |
57 |
|
[ZN]A:109 |
1 |
1 |
98 |
◊ |
[ACT]A:151 |
-y,x-y+1,z |
2_565 |
3 |
1 |
182 |
26.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.107 |
58 |
|
[ZN]B:109 |
1 |
1 |
98 |
◊ |
[ACT]D:107 |
-y,x-y+1,z |
2_565 |
3 |
1 |
182 |
24.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.107 |
59 |
|
[ZN]D:108 |
1 |
1 |
98 |
◊ |
[ACT]D:151 |
x,y,z |
1_555 |
3 |
1 |
183 |
24.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.107 |
60 |
|
[ZN]B:110 |
1 |
1 |
98 |
◊ |
[ACT]B:151 |
x,y,z |
1_555 |
3 |
1 |
183 |
24.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
25.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.107 |
31 |
61 |
|
[HEM]C:150 |
3 |
1 |
821 |
◊ |
[HEM]C:150 |
y-1,x+1,-z |
4_465 |
3 |
1 |
821 |
25.0 |
-1.6 |
0.622 |
0 |
0 |
0 |
0.000 |
32 |
62 |
|
D |
1 |
1 |
6236 |
◊ |
D |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
1 |
1 |
6236 |
16.5 |
-0.5 |
0.153 |
0 |
0 |
0 |
0.000 |
|