| ## |
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 |
470 |
115 |
23656 |
◊ |
A |
x,y,z |
1_555 |
459 |
127 |
19308 |
4404.5 |
-55.5 |
0.028 |
50 |
18 |
0 |
0.452 |
2 |
|
D |
460 |
114 |
23669 |
◊ |
C |
x,y,z |
1_555 |
455 |
128 |
19311 |
4368.3 |
-57.3 |
0.024 |
51 |
15 |
0 |
0.452 |
| Average: |
4386.4 |
-56.4 |
0.026 |
51 |
17 |
0 |
0.452 |
| 2 |
3 |
|
D |
307 |
75 |
23669 |
◊ |
B |
x,y,z |
1_555 |
304 |
74 |
23656 |
2830.4 |
-24.9 |
0.388 |
48 |
27 |
0 |
0.778 |
| 3 |
4 |
|
D |
142 |
35 |
23669 |
◊ |
A |
x,y,z |
1_555 |
144 |
38 |
19308 |
1251.2 |
-14.3 |
0.302 |
14 |
7 |
0 |
0.218 |
5 |
|
B |
139 |
35 |
23656 |
◊ |
C |
x,y,z |
1_555 |
145 |
38 |
19311 |
1244.2 |
-16.5 |
0.194 |
13 |
6 |
0 |
0.218 |
| Average: |
1247.7 |
-15.4 |
0.248 |
14 |
7 |
0 |
0.218 |
| 4 |
6 |
|
A |
35 |
12 |
19308 |
◊ |
A |
-x,y,-z+1 |
2_556 |
34 |
12 |
19308 |
331.3 |
-4.4 |
0.311 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[ICS]C:602 |
17 |
1 |
486 |
f |
C |
x,y,z |
1_555 |
48 |
18 |
19311 |
314.2 |
-18.3 |
0.780 |
6 |
0 |
0 |
0.197 |
8 |
|
[ICS]A:602 |
17 |
1 |
486 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
19308 |
311.1 |
-18.1 |
0.795 |
5 |
0 |
0 |
0.197 |
| Average: |
312.6 |
-18.2 |
0.788 |
6 |
0 |
0 |
0.197 |
| 6 |
9 |
|
A |
22 |
7 |
19308 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
28 |
11 |
19311 |
211.2 |
0.3 |
0.765 |
3 |
0 |
0 |
0.000 |
10 |
|
A |
27 |
10 |
19308 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
21 |
6 |
19311 |
202.9 |
-0.4 |
0.668 |
3 |
0 |
0 |
0.000 |
| Average: |
207.0 |
-0.0 |
0.717 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[HCA]C:601 |
12 |
1 |
341 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19311 |
201.5 |
2.0 |
0.551 |
4 |
0 |
0 |
0.003 |
12 |
|
[HCA]A:601 |
12 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19308 |
200.0 |
1.5 |
0.515 |
4 |
0 |
0 |
0.003 |
| Average: |
200.7 |
1.7 |
0.533 |
4 |
0 |
0 |
0.003 |
| 8 |
13 |
|
[CLF]A:608 |
12 |
1 |
455 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
23656 |
182.7 |
-17.4 |
0.117 |
0 |
0 |
0 |
0.098 |
14 |
|
[CLF]C:607 |
12 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
26 |
11 |
23669 |
181.6 |
-17.4 |
0.140 |
0 |
0 |
0 |
0.098 |
| Average: |
182.1 |
-17.4 |
0.128 |
0 |
0 |
0 |
0.098 |
| 9 |
15 |
|
[CLF]A:608 |
12 |
1 |
455 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19308 |
181.1 |
-17.9 |
0.111 |
1 |
0 |
0 |
0.177 |
16 |
|
[CLF]C:607 |
12 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19311 |
180.7 |
-17.8 |
0.121 |
0 |
0 |
0 |
0.177 |
| Average: |
180.9 |
-17.9 |
0.116 |
1 |
0 |
0 |
0.177 |
| 10 |
17 |
|
B |
15 |
5 |
23656 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
19311 |
171.9 |
-3.2 |
0.188 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
15 |
4 |
19308 |
◊ |
D |
-x-1/2,y-1/2,-z+1 |
4_446 |
16 |
5 |
23669 |
153.2 |
-2.7 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
162.5 |
-3.0 |
0.208 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[GOL]B:602 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
23656 |
148.1 |
-0.8 |
0.628 |
6 |
0 |
0 |
0.098 |
20 |
|
[GOL]D:603 |
6 |
1 |
212 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
23669 |
147.3 |
-0.7 |
0.629 |
5 |
0 |
0 |
0.098 |
| Average: |
147.7 |
-0.7 |
0.629 |
6 |
0 |
0 |
0.098 |
| 12 |
21 |
|
[GOL]D:602 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
23669 |
135.4 |
-0.0 |
0.646 |
3 |
0 |
0 |
0.021 |
| 13 |
22 |
|
C |
11 |
4 |
19311 |
◊ |
C |
-x,y,-z+1 |
2_556 |
11 |
4 |
19311 |
131.1 |
-1.3 |
0.424 |
2 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[GOL]B:604 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
23656 |
126.4 |
-0.3 |
0.598 |
5 |
0 |
0 |
0.043 |
| 15 |
24 |
|
[GOL]D:604 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
19308 |
92.6 |
0.0 |
0.641 |
2 |
0 |
0 |
0.008 |
| 16 |
25 |
|
[GOL]B:603 |
5 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
19311 |
90.2 |
-0.6 |
0.544 |
2 |
0 |
0 |
0.014 |
| 17 |
26 |
|
[MO]A:606 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19308 |
86.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
|
[MO]C:605 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
19311 |
85.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
86.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
28 |
|
[GOL]B:605 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
23669 |
86.2 |
-1.4 |
0.345 |
0 |
0 |
0 |
0.022 |
| 19 |
29 |
|
[MO]A:603 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19308 |
83.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.054 |
30 |
|
[MO]C:603 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
19311 |
82.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
82.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 20 |
31 |
|
[GOL]B:603 |
6 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
23656 |
80.3 |
-0.6 |
0.574 |
1 |
0 |
0 |
0.010 |
| 21 |
32 |
|
[GOL]D:604 |
5 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
23669 |
79.4 |
-0.6 |
0.491 |
2 |
0 |
0 |
0.023 |
| 22 |
33 |
|
[MO]A:604 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
19308 |
73.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.046 |
34 |
|
[MO]C:604 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
19311 |
72.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
72.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.046 |
| 23 |
35 |
|
[MO]C:606 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
19311 |
71.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
|
[MO]A:607 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
19308 |
71.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
71.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
| 24 |
37 |
|
[ICS]A:602 |
7 |
1 |
486 |
f |
[HCA]A:601 |
x,y,z |
1_555 |
7 |
1 |
342 |
66.7 |
-2.1 |
0.682 |
0 |
0 |
0 |
0.033 |
38 |
|
[ICS]C:602 |
7 |
1 |
486 |
f |
[HCA]C:601 |
x,y,z |
1_555 |
7 |
1 |
341 |
66.4 |
-3.5 |
0.435 |
0 |
0 |
0 |
0.033 |
| Average: |
66.6 |
-2.8 |
0.559 |
0 |
0 |
0 |
0.033 |
| 25 |
39 |
|
[GOL]B:605 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
23656 |
61.9 |
-0.2 |
0.639 |
2 |
0 |
0 |
0.017 |
| 26 |
40 |
|
[H2S]A:605 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19308 |
53.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.028 |
41 |
|
[H2S]D:601 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
19311 |
52.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
52.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 27 |
42 |
|
[H2S]A:605 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
23656 |
52.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
|
[H2S]D:601 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
23669 |
51.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
51.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 28 |
44 |
|
B |
7 |
3 |
23656 |
◊ |
[MO]C:605 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
163 |
45.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[MO]A:606 |
1 |
1 |
163 |
◊ |
D |
-x-1/2,y-1/2,-z+1 |
4_446 |
6 |
3 |
23669 |
44.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[FE]B:601 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
19311 |
45.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.046 |
47 |
|
[FE]B:606 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
19308 |
43.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
44.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 30 |
48 |
|
[HCA]A:601 |
7 |
1 |
342 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23656 |
44.8 |
1.1 |
0.532 |
0 |
0 |
0 |
0.000 |
49 |
|
[HCA]C:601 |
7 |
1 |
341 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
23669 |
42.7 |
1.3 |
0.561 |
0 |
0 |
0 |
0.000 |
| Average: |
43.8 |
1.2 |
0.547 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[FE]B:606 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
23669 |
40.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
51 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
23656 |
39.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 32 |
52 |
|
[GOL]B:605 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19311 |
40.1 |
-0.9 |
0.246 |
0 |
0 |
0 |
0.005 |
| 33 |
53 |
|
[FE]B:601 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
23669 |
35.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
54 |
|
[FE]B:606 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
23656 |
35.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
35.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
| 34 |
55 |
|
[GOL]B:604 |
3 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19308 |
34.7 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
| 35 |
56 |
|
[GOL]D:604 |
1 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23656 |
22.4 |
-0.1 |
0.214 |
0 |
0 |
0 |
0.001 |
| 36 |
57 |
|
[GOL]B:603 |
2 |
1 |
214 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23669 |
18.1 |
-0.2 |
0.284 |
0 |
0 |
0 |
0.000 |
|