## |
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 |
|
H |
368 |
91 |
19944 |
◊ |
A |
x,y,z |
1_555 |
345 |
90 |
12551 |
3495.7 |
-40.3 |
0.030 |
56 |
10 |
0 |
0.391 |
2 |
|
I |
364 |
90 |
19970 |
◊ |
B |
x,y,z |
1_555 |
339 |
89 |
12582 |
3408.1 |
-37.2 |
0.038 |
53 |
12 |
0 |
0.391 |
Average: |
3451.9 |
-38.7 |
0.034 |
55 |
11 |
0 |
0.391 |
2 |
3 |
|
I |
50 |
19 |
19970 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
12551 |
364.4 |
1.7 |
0.859 |
6 |
4 |
0 |
0.000 |
3 |
4 |
|
B |
37 |
12 |
12582 |
◊ |
A |
x-1,y,z-1 |
1_454 |
42 |
12 |
12551 |
340.0 |
-0.9 |
0.737 |
6 |
7 |
0 |
0.000 |
4 |
5 |
|
[SF4]B:265 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
12582 |
187.6 |
-20.6 |
0.596 |
0 |
0 |
0 |
0.124 |
6 |
|
[SF4]A:265 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
12551 |
187.3 |
-20.4 |
0.464 |
0 |
0 |
0 |
0.124 |
Average: |
187.5 |
-20.5 |
0.530 |
0 |
0 |
0 |
0.124 |
5 |
7 |
|
H |
20 |
6 |
19944 |
x |
H |
x,y,z-1 |
1_554 |
26 |
9 |
19944 |
178.2 |
1.3 |
0.780 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[SF4]B:267 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
12582 |
174.5 |
-18.9 |
0.184 |
1 |
0 |
0 |
0.117 |
9 |
|
[SF4]A:267 |
8 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
30 |
15 |
12551 |
171.5 |
-18.7 |
0.214 |
1 |
0 |
0 |
0.117 |
Average: |
173.0 |
-18.8 |
0.199 |
1 |
0 |
0 |
0.117 |
7 |
10 |
|
B |
19 |
8 |
12582 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
12551 |
174.4 |
0.3 |
0.774 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[F3S]B:266 |
7 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
12582 |
170.3 |
-16.7 |
0.341 |
1 |
0 |
0 |
0.104 |
12 |
|
[F3S]A:266 |
7 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
12551 |
169.2 |
-16.6 |
0.347 |
1 |
0 |
0 |
0.104 |
Average: |
169.8 |
-16.6 |
0.344 |
1 |
0 |
0 |
0.104 |
9 |
13 |
|
[FCO]I:537 |
7 |
1 |
261 |
f |
I |
x,y,z |
1_555 |
16 |
9 |
19970 |
115.2 |
-1.9 |
0.270 |
0 |
0 |
0 |
0.011 |
14 |
|
[FCO]H:537 |
7 |
1 |
264 |
f |
H |
x,y,z |
1_555 |
15 |
10 |
19944 |
114.7 |
-1.7 |
0.276 |
0 |
0 |
0 |
0.011 |
Average: |
114.9 |
-1.8 |
0.273 |
0 |
0 |
0 |
0.011 |
10 |
15 |
|
B |
19 |
8 |
12582 |
f |
[GOL]A:1273 |
x-1,y,z-1 |
1_454 |
6 |
1 |
221 |
114.4 |
-0.1 |
0.627 |
2 |
0 |
0 |
0.006 |
11 |
16 |
|
[GOL]A:1272 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
12551 |
109.9 |
-0.3 |
0.644 |
3 |
0 |
0 |
0.009 |
12 |
17 |
|
[GOL]H:1544 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
19944 |
108.2 |
-0.1 |
0.555 |
2 |
0 |
0 |
0.006 |
13 |
18 |
|
[GOL]A:1271 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
12551 |
100.1 |
-0.1 |
0.626 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
I |
12 |
8 |
19970 |
◊ |
H |
x,y-1,z |
1_545 |
20 |
10 |
19944 |
99.7 |
2.4 |
0.883 |
1 |
2 |
0 |
0.000 |
15 |
20 |
|
B |
14 |
6 |
12582 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
19970 |
89.7 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
B |
10 |
4 |
12582 |
◊ |
H |
x-1,y,z-1 |
1_454 |
10 |
5 |
19944 |
88.2 |
0.9 |
0.808 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[H2S]B:2268 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12582 |
78.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.032 |
23 |
|
[H2S]A:1268 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12551 |
77.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
78.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.032 |
18 |
24 |
|
[GOL]A:1542 |
5 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
19944 |
77.1 |
-0.7 |
0.417 |
0 |
0 |
0 |
0.004 |
19 |
25 |
|
[GOL]H:1543 |
6 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
19944 |
76.6 |
-0.6 |
0.501 |
2 |
0 |
0 |
0.008 |
20 |
26 |
|
B |
11 |
4 |
12582 |
f |
[GOL]A:1271 |
x-1,y,z-1 |
1_454 |
5 |
1 |
221 |
75.1 |
-1.4 |
0.324 |
0 |
0 |
0 |
0.008 |
21 |
27 |
|
[GOL]B:2542 |
5 |
1 |
220 |
◊ |
I |
x,y,z |
1_555 |
11 |
3 |
19970 |
74.4 |
-0.9 |
0.406 |
0 |
0 |
0 |
0.006 |
22 |
28 |
|
I |
6 |
1 |
19970 |
◊ |
H |
x-1,y-1,z |
1_445 |
7 |
3 |
19944 |
72.8 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[GOL]A:1273 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12551 |
70.5 |
-0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[GOL]B:2542 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12582 |
67.5 |
-0.2 |
0.547 |
2 |
0 |
0 |
0.007 |
25 |
31 |
|
[H2S]I:2541 |
1 |
1 |
133 |
f |
I |
x,y,z |
1_555 |
16 |
6 |
19970 |
67.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.024 |
32 |
|
[H2S]H:1541 |
1 |
1 |
133 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
19944 |
65.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
66.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.024 |
26 |
33 |
|
[GOL]A:1542 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12551 |
64.8 |
-0.6 |
0.475 |
2 |
0 |
0 |
0.009 |
27 |
34 |
|
A |
8 |
3 |
12551 |
◊ |
H |
x,y,z-1 |
1_554 |
5 |
2 |
19944 |
63.2 |
0.9 |
0.715 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
B |
12 |
6 |
12582 |
◊ |
[GOL]H:1543 |
x-1,y,z-1 |
1_454 |
4 |
1 |
217 |
59.5 |
0.1 |
0.665 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
[SF4]B:267 |
4 |
1 |
309 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
19970 |
59.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
|
[SF4]A:267 |
4 |
1 |
308 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
19944 |
57.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
58.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.028 |
30 |
38 |
|
[MG]I:540 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
19970 |
53.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.057 |
39 |
|
[MG]H:540 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
19944 |
52.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
52.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.057 |
31 |
40 |
|
[F3S]B:266 |
4 |
1 |
301 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
19970 |
53.1 |
-2.3 |
0.000 |
1 |
0 |
0 |
0.017 |
41 |
|
[F3S]A:266 |
4 |
1 |
299 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
19944 |
52.2 |
-2.3 |
0.000 |
1 |
0 |
0 |
0.017 |
Average: |
52.7 |
-2.3 |
0.000 |
1 |
0 |
0 |
0.017 |
32 |
42 |
|
B |
8 |
3 |
12582 |
◊ |
[GOL]A:1272 |
x-1,y,z-1 |
1_454 |
5 |
1 |
217 |
52.6 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[GOL]H:1543 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12551 |
44.3 |
-0.4 |
0.469 |
1 |
0 |
0 |
0.005 |
34 |
44 |
|
[GOL]H:1544 |
5 |
1 |
217 |
◊ |
H |
x,y,z-1 |
1_554 |
5 |
2 |
19944 |
38.8 |
0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
35 |
45 |
|
I |
7 |
4 |
19970 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
12551 |
38.1 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[PER]I:539 |
2 |
1 |
124 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
19970 |
36.7 |
0.7 |
0.743 |
3 |
0 |
0 |
0.004 |
37 |
47 |
|
I |
5 |
3 |
19970 |
◊ |
H |
x,y-1,z-1 |
1_544 |
7 |
3 |
19944 |
36.6 |
0.8 |
0.799 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[PER]H:539 |
2 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
4 |
19944 |
36.5 |
0.7 |
0.737 |
3 |
0 |
0 |
0.004 |
39 |
49 |
|
I |
3 |
1 |
19970 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
2 |
1 |
19944 |
35.8 |
0.1 |
0.461 |
0 |
2 |
0 |
0.000 |
40 |
50 |
|
[H2S]H:1541 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
12551 |
34.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
51 |
|
[H2S]I:2541 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
12582 |
34.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
34.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
52 |
|
I |
2 |
1 |
19970 |
x |
I |
x,y,z-1 |
1_554 |
3 |
1 |
19970 |
33.7 |
-0.1 |
0.259 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[PER]H:539 |
2 |
1 |
125 |
cf |
[NI]H:538 |
x,y,z |
1_555 |
1 |
1 |
115 |
33.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.025 |
43 |
54 |
|
[PER]I:539 |
2 |
1 |
124 |
cf |
[NI]I:538 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.025 |
44 |
55 |
|
[FCO]H:537 |
3 |
1 |
264 |
f |
[NI]H:538 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
|
[FCO]I:537 |
3 |
1 |
261 |
f |
[NI]I:538 |
x,y,z |
1_555 |
1 |
1 |
115 |
31.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
32.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.036 |
45 |
57 |
|
B |
9 |
4 |
12582 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
12551 |
29.4 |
-0.7 |
0.349 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[PER]H:539 |
2 |
1 |
125 |
cf |
[FCO]H:537 |
x,y,z |
1_555 |
4 |
1 |
264 |
28.6 |
-0.6 |
0.677 |
0 |
0 |
0 |
0.003 |
47 |
59 |
|
[PER]I:539 |
2 |
1 |
124 |
cf |
[FCO]I:537 |
x,y,z |
1_555 |
4 |
1 |
261 |
28.2 |
-0.6 |
0.677 |
0 |
0 |
0 |
0.003 |
48 |
60 |
|
[GOL]A:1272 |
2 |
1 |
217 |
◊ |
[GOL]A:1271 |
x,y,z |
1_555 |
2 |
1 |
221 |
22.3 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
I |
3 |
1 |
19970 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
2 |
12582 |
17.7 |
0.2 |
0.744 |
1 |
0 |
0 |
0.000 |
50 |
62 |
|
[GOL]A:1271 |
2 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
19944 |
11.3 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[GOL]B:2542 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12551 |
0.3 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|