## |
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 |
462 |
106 |
24675 |
◊ |
A |
x,y,z |
1_555 |
455 |
105 |
24720 |
4209.9 |
-29.6 |
0.322 |
58 |
49 |
0 |
0.607 |
2 |
|
F |
462 |
105 |
24665 |
◊ |
E |
x,y,z |
1_555 |
453 |
105 |
24716 |
4200.5 |
-29.2 |
0.330 |
56 |
50 |
0 |
0.607 |
3 |
|
D |
458 |
106 |
24684 |
◊ |
C |
x,y,z |
1_555 |
459 |
105 |
24736 |
4187.4 |
-29.8 |
0.300 |
56 |
48 |
0 |
0.607 |
4 |
|
H |
455 |
104 |
24748 |
◊ |
G |
x,y,z |
1_555 |
457 |
105 |
24747 |
4179.8 |
-30.3 |
0.278 |
60 |
49 |
0 |
0.607 |
Average: |
4194.4 |
-29.7 |
0.307 |
58 |
49 |
0 |
0.607 |
2 |
5 |
|
C |
426 |
104 |
24736 |
◊ |
A |
x,y,z |
1_555 |
430 |
103 |
24720 |
3922.5 |
-42.9 |
0.054 |
53 |
2 |
0 |
0.630 |
6 |
|
H |
421 |
103 |
24748 |
◊ |
F |
x,y,z |
1_555 |
430 |
105 |
24665 |
3919.5 |
-43.4 |
0.044 |
51 |
2 |
0 |
0.630 |
7 |
|
D |
423 |
102 |
24684 |
◊ |
B |
x,y,z |
1_555 |
418 |
103 |
24675 |
3909.5 |
-43.8 |
0.038 |
52 |
2 |
0 |
0.630 |
8 |
|
G |
422 |
103 |
24747 |
◊ |
E |
x,y,z |
1_555 |
421 |
103 |
24716 |
3906.2 |
-42.0 |
0.056 |
49 |
2 |
0 |
0.630 |
Average: |
3914.4 |
-43.0 |
0.048 |
51 |
2 |
0 |
0.630 |
3 |
9 |
|
H |
200 |
59 |
24748 |
◊ |
E |
x,y,z |
1_555 |
202 |
60 |
24716 |
1718.3 |
-14.1 |
0.323 |
27 |
6 |
0 |
0.434 |
10 |
|
G |
200 |
61 |
24747 |
◊ |
F |
x,y,z |
1_555 |
198 |
61 |
24665 |
1714.1 |
-14.8 |
0.291 |
29 |
6 |
0 |
0.434 |
11 |
|
D |
201 |
61 |
24684 |
◊ |
A |
x,y,z |
1_555 |
201 |
59 |
24720 |
1713.1 |
-13.3 |
0.360 |
28 |
6 |
0 |
0.434 |
12 |
|
C |
198 |
60 |
24736 |
◊ |
B |
x,y,z |
1_555 |
199 |
60 |
24675 |
1708.5 |
-13.8 |
0.337 |
26 |
6 |
0 |
0.434 |
Average: |
1713.5 |
-14.0 |
0.328 |
28 |
6 |
0 |
0.434 |
4 |
13 |
|
[HEM]G:485 |
43 |
1 |
827 |
f |
G |
x,y,z |
1_555 |
97 |
30 |
24747 |
599.5 |
-14.8 |
0.727 |
5 |
0 |
0 |
0.551 |
14 |
|
[HEM]H:485 |
43 |
1 |
825 |
cf |
H |
x,y,z |
1_555 |
96 |
30 |
24748 |
599.4 |
-14.9 |
0.714 |
5 |
0 |
0 |
0.551 |
15 |
|
[HEM]A:486 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
97 |
30 |
24720 |
599.3 |
-14.8 |
0.731 |
5 |
0 |
0 |
0.551 |
16 |
|
[HEM]D:485 |
43 |
1 |
827 |
f |
D |
x,y,z |
1_555 |
97 |
29 |
24684 |
599.0 |
-15.8 |
0.716 |
5 |
0 |
0 |
0.551 |
17 |
|
[HEM]C:485 |
43 |
1 |
823 |
cf |
C |
x,y,z |
1_555 |
99 |
30 |
24736 |
598.1 |
-16.3 |
0.712 |
5 |
0 |
0 |
0.551 |
18 |
|
[HEM]F:486 |
43 |
1 |
824 |
cf |
F |
x,y,z |
1_555 |
94 |
30 |
24665 |
597.3 |
-14.7 |
0.730 |
5 |
0 |
0 |
0.551 |
19 |
|
[HEM]E:486 |
43 |
1 |
821 |
cf |
E |
x,y,z |
1_555 |
100 |
30 |
24716 |
595.7 |
-14.9 |
0.721 |
5 |
0 |
0 |
0.551 |
20 |
|
[HEM]B:486 |
43 |
1 |
821 |
cf |
B |
x,y,z |
1_555 |
96 |
30 |
24675 |
594.2 |
-14.7 |
0.726 |
5 |
0 |
0 |
0.551 |
Average: |
597.8 |
-15.1 |
0.722 |
5 |
0 |
0 |
0.551 |
5 |
21 |
|
E |
72 |
21 |
24716 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
52 |
15 |
24736 |
532.5 |
-1.4 |
0.669 |
2 |
4 |
0 |
0.000 |
22 |
|
G |
54 |
15 |
24747 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
72 |
21 |
24720 |
529.6 |
-1.2 |
0.700 |
2 |
4 |
0 |
0.000 |
Average: |
531.0 |
-1.3 |
0.684 |
2 |
4 |
0 |
0.000 |
6 |
23 |
|
G |
55 |
22 |
24747 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
58 |
21 |
24736 |
497.7 |
-0.1 |
0.743 |
6 |
1 |
0 |
0.000 |
7 |
24 |
|
F |
57 |
19 |
24665 |
◊ |
B |
x-1,y,z-1 |
1_454 |
45 |
16 |
24675 |
454.2 |
-2.6 |
0.534 |
2 |
0 |
0 |
0.000 |
8 |
25 |
|
H |
63 |
22 |
24748 |
◊ |
B |
x,y,z |
1_555 |
50 |
18 |
24675 |
437.8 |
1.7 |
0.748 |
3 |
0 |
0 |
0.000 |
9 |
26 |
|
H |
48 |
17 |
24748 |
◊ |
D |
x,y,z |
1_555 |
57 |
18 |
24684 |
407.8 |
-1.5 |
0.616 |
1 |
1 |
0 |
0.000 |
10 |
27 |
|
C |
39 |
11 |
24736 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
11 |
24720 |
322.9 |
-4.6 |
0.260 |
4 |
0 |
0 |
0.000 |
11 |
28 |
|
D |
23 |
8 |
24684 |
◊ |
B |
x-1,y,z-1 |
1_454 |
20 |
7 |
24675 |
203.3 |
-1.8 |
0.423 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
G |
16 |
4 |
24747 |
◊ |
C |
x,y,z |
1_555 |
26 |
6 |
24736 |
176.0 |
-0.5 |
0.610 |
2 |
1 |
0 |
0.000 |
13 |
30 |
|
F |
20 |
10 |
24665 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
24720 |
139.3 |
0.8 |
0.782 |
2 |
0 |
0 |
0.000 |
14 |
31 |
|
F |
12 |
5 |
24665 |
◊ |
H |
x-1,y,z-1 |
1_454 |
14 |
5 |
24748 |
124.6 |
-0.6 |
0.551 |
2 |
0 |
0 |
0.000 |
15 |
32 |
|
[GOL]H:5492 |
6 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
12 |
7 |
24748 |
99.2 |
0.6 |
0.698 |
4 |
0 |
0 |
0.021 |
33 |
|
[GOL]B:5490 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
24675 |
99.1 |
0.8 |
0.698 |
4 |
0 |
0 |
0.021 |
34 |
|
[GOL]A:5489 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
24720 |
98.1 |
0.3 |
0.696 |
3 |
0 |
0 |
0.021 |
35 |
|
[GOL]G:5491 |
6 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
11 |
7 |
24747 |
97.2 |
0.3 |
0.696 |
3 |
0 |
0 |
0.021 |
36 |
|
[GOL]F:5494 |
6 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
11 |
7 |
24665 |
96.8 |
0.4 |
0.695 |
3 |
0 |
0 |
0.021 |
37 |
|
[GOL]C:5487 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
24736 |
96.6 |
0.2 |
0.609 |
3 |
0 |
0 |
0.021 |
38 |
|
[GOL]E:5493 |
6 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
10 |
7 |
24716 |
95.6 |
0.2 |
0.610 |
3 |
0 |
0 |
0.021 |
Average: |
97.5 |
0.4 |
0.672 |
3 |
0 |
0 |
0.021 |
16 |
39 |
|
[GOL]D:5488 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
24684 |
98.5 |
0.9 |
0.716 |
4 |
0 |
0 |
0.009 |
17 |
40 |
|
[GOL]B:5490 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
24684 |
78.1 |
-1.2 |
0.347 |
0 |
0 |
0 |
0.050 |
41 |
|
[GOL]F:5494 |
5 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
14 |
4 |
24748 |
77.8 |
-1.1 |
0.377 |
1 |
0 |
0 |
0.050 |
42 |
|
[GOL]H:5492 |
5 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
16 |
4 |
24665 |
77.7 |
-1.1 |
0.409 |
1 |
0 |
0 |
0.050 |
43 |
|
[GOL]C:5487 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
24720 |
77.1 |
-0.9 |
0.409 |
2 |
0 |
0 |
0.050 |
44 |
|
[GOL]G:5491 |
5 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
24716 |
76.9 |
-1.0 |
0.388 |
1 |
0 |
0 |
0.050 |
45 |
|
[GOL]A:5489 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
24736 |
76.9 |
-0.9 |
0.400 |
1 |
0 |
0 |
0.050 |
46 |
|
[GOL]E:5493 |
5 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
14 |
4 |
24747 |
75.8 |
-0.9 |
0.402 |
2 |
0 |
0 |
0.050 |
Average: |
77.2 |
-1.0 |
0.390 |
1 |
0 |
0 |
0.050 |
18 |
47 |
|
[GOL]D:5488 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
24675 |
77.7 |
-1.3 |
0.350 |
0 |
0 |
0 |
0.020 |
19 |
48 |
|
[HEM]G:485 |
6 |
1 |
827 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
24748 |
73.4 |
-2.0 |
0.435 |
0 |
0 |
0 |
0.039 |
49 |
|
[HEM]F:486 |
6 |
1 |
824 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
24716 |
73.0 |
-2.0 |
0.445 |
0 |
0 |
0 |
0.039 |
50 |
|
[HEM]E:486 |
7 |
1 |
821 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
24665 |
72.6 |
-2.0 |
0.477 |
0 |
0 |
0 |
0.039 |
51 |
|
[HEM]A:486 |
7 |
1 |
823 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
24675 |
72.3 |
-2.0 |
0.460 |
0 |
0 |
0 |
0.039 |
52 |
|
[HEM]C:485 |
7 |
1 |
823 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
24684 |
72.1 |
-2.0 |
0.489 |
0 |
0 |
0 |
0.039 |
53 |
|
[HEM]B:486 |
7 |
1 |
821 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
24720 |
71.4 |
-2.0 |
0.510 |
0 |
0 |
0 |
0.039 |
54 |
|
[HEM]D:485 |
8 |
1 |
827 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
24736 |
71.1 |
-1.9 |
0.517 |
0 |
0 |
0 |
0.039 |
55 |
|
[HEM]H:485 |
6 |
1 |
825 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
24747 |
70.8 |
-2.0 |
0.461 |
0 |
0 |
0 |
0.039 |
Average: |
72.1 |
-2.0 |
0.474 |
0 |
0 |
0 |
0.039 |
20 |
56 |
|
E |
5 |
1 |
24716 |
◊ |
H |
x,y,z-1 |
1_554 |
6 |
2 |
24748 |
37.9 |
0.7 |
0.693 |
0 |
0 |
0 |
0.000 |
21 |
57 |
|
F |
5 |
3 |
24665 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
24684 |
36.6 |
0.9 |
0.857 |
0 |
0 |
0 |
0.000 |
22 |
58 |
|
D |
2 |
2 |
24684 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
2 |
24736 |
34.3 |
-0.9 |
0.183 |
0 |
0 |
0 |
0.000 |
23 |
59 |
|
[CL]D:5485 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
24675 |
32.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.105 |
60 |
|
[CL]B:6485 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
24720 |
32.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.105 |
61 |
|
[CL]F:8485 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
24748 |
32.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.105 |
62 |
|
[CL]H:7485 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
24665 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.105 |
63 |
|
[CL]H:7485 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
24747 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.105 |
64 |
|
[CL]F:8485 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
24716 |
31.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.105 |
65 |
|
[CL]D:5485 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
24736 |
31.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.105 |
66 |
|
[CL]B:6485 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
24684 |
31.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.105 |
24 |
67 |
|
[CL]D:5485 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
24684 |
27.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.066 |
68 |
|
[CL]B:6485 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
24736 |
27.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.066 |
69 |
|
[CL]F:8485 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
24747 |
26.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.066 |
70 |
|
[CL]F:8485 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
24665 |
26.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.066 |
71 |
|
[CL]H:7485 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
24716 |
26.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.066 |
72 |
|
[CL]H:7485 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
24748 |
26.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.066 |
73 |
|
[CL]B:6485 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
24675 |
26.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.066 |
74 |
|
[CL]D:5485 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
24720 |
26.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
26.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.066 |
25 |
75 |
|
G |
5 |
2 |
24747 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
3 |
24748 |
26.3 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
26 |
76 |
|
E |
4 |
2 |
24716 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
24684 |
23.2 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
27 |
77 |
|
F |
2 |
1 |
24665 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
2 |
24747 |
13.2 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
28 |
78 |
|
C |
2 |
2 |
24736 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
24675 |
11.5 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
79 |
|
D |
1 |
1 |
24684 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
24720 |
7.1 |
0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
29 |
80 |
|
E |
2 |
1 |
24716 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
24736 |
11.1 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
30 |
81 |
|
[GOL]F:5494 |
2 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
24747 |
4.8 |
-0.1 |
0.502 |
0 |
0 |
0 |
0.002 |
82 |
|
[GOL]A:5489 |
2 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24684 |
3.3 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.002 |
83 |
|
[GOL]E:5493 |
2 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
24748 |
3.0 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.002 |
84 |
|
[GOL]G:5491 |
2 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
24665 |
2.9 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.002 |
85 |
|
[GOL]C:5487 |
1 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24675 |
2.0 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.002 |
Average: |
3.2 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.002 |
31 |
86 |
|
[GOL]D:5488 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
24720 |
3.5 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.001 |
87 |
|
[GOL]H:5492 |
2 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
24716 |
2.7 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.001 |
Average: |
3.1 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.001 |
32 |
88 |
|
E |
1 |
1 |
24716 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
24720 |
2.6 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
33 |
89 |
|
[GOL]B:5490 |
2 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
24736 |
1.9 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
34 |
90 |
|
G |
1 |
1 |
24747 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
24684 |
1.1 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
|