## |
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 |
146 |
42 |
22249 |
◊ |
A |
x,y,z |
1_555 |
143 |
42 |
22560 |
1347.4 |
2.6 |
0.942 |
21 |
23 |
0 |
0.069 |
2 |
2 |
|
D |
106 |
11 |
3298 |
◊ |
A |
x,y,z |
1_555 |
106 |
34 |
22560 |
978.4 |
-14.8 |
0.510 |
16 |
0 |
0 |
0.333 |
3 |
|
T |
99 |
11 |
3278 |
◊ |
B |
x,y,z |
1_555 |
100 |
32 |
22249 |
946.2 |
-14.6 |
0.489 |
17 |
0 |
0 |
0.333 |
Average: |
962.3 |
-14.7 |
0.500 |
17 |
0 |
0 |
0.333 |
3 |
4 |
|
C |
69 |
9 |
2234 |
◊ |
A |
x,y,z |
1_555 |
77 |
30 |
22560 |
642.1 |
-15.6 |
0.235 |
14 |
0 |
0 |
0.380 |
5 |
|
P |
65 |
9 |
2245 |
◊ |
B |
x,y,z |
1_555 |
77 |
30 |
22249 |
617.0 |
-14.4 |
0.253 |
17 |
0 |
0 |
0.380 |
Average: |
629.5 |
-15.0 |
0.244 |
16 |
0 |
0 |
0.380 |
4 |
6 |
|
T |
41 |
10 |
3278 |
◊ |
P |
x,y,z |
1_555 |
39 |
9 |
2245 |
422.3 |
-1.7 |
0.703 |
18 |
0 |
0 |
0.464 |
7 |
|
D |
43 |
10 |
3298 |
◊ |
C |
x,y,z |
1_555 |
40 |
9 |
2234 |
415.7 |
-1.8 |
0.713 |
19 |
0 |
0 |
0.464 |
Average: |
419.0 |
-1.7 |
0.708 |
19 |
0 |
0 |
0.464 |
5 |
8 |
|
[DZ4]A:609 |
28 |
1 |
571 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
22560 |
291.5 |
0.4 |
0.553 |
8 |
0 |
0 |
0.061 |
9 |
|
[DZ4]B:607 |
28 |
1 |
580 |
f |
B |
x,y,z |
1_555 |
46 |
18 |
22249 |
288.8 |
0.5 |
0.580 |
9 |
0 |
0 |
0.061 |
Average: |
290.2 |
0.4 |
0.566 |
9 |
0 |
0 |
0.061 |
6 |
10 |
|
A |
28 |
10 |
22560 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
30 |
8 |
22249 |
271.6 |
-2.3 |
0.480 |
4 |
3 |
0 |
0.000 |
7 |
11 |
|
D |
23 |
2 |
3298 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
22249 |
197.1 |
-1.3 |
0.678 |
3 |
0 |
0 |
0.037 |
12 |
|
T |
22 |
2 |
3278 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22560 |
194.3 |
-1.4 |
0.639 |
3 |
0 |
0 |
0.037 |
Average: |
195.7 |
-1.4 |
0.658 |
3 |
0 |
0 |
0.037 |
8 |
13 |
|
A |
14 |
7 |
22560 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
24 |
7 |
22560 |
139.8 |
-1.6 |
0.387 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[DZ4]B:607 |
17 |
1 |
580 |
◊ |
P |
x,y,z |
1_555 |
13 |
1 |
2245 |
110.7 |
1.2 |
0.548 |
0 |
0 |
0 |
0.000 |
15 |
|
[DZ4]A:609 |
17 |
1 |
571 |
◊ |
C |
x,y,z |
1_555 |
13 |
1 |
2234 |
105.5 |
1.0 |
0.535 |
0 |
0 |
0 |
0.000 |
Average: |
108.1 |
1.1 |
0.542 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
P |
16 |
1 |
2245 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
1 |
3298 |
108.0 |
0.6 |
0.671 |
0 |
0 |
0 |
0.000 |
17 |
|
T |
13 |
1 |
3278 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
1 |
2234 |
100.8 |
0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
Average: |
104.4 |
0.4 |
0.656 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[IOD]A:605 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22560 |
96.9 |
-0.4 |
0.715 |
0 |
0 |
0 |
0.007 |
19 |
|
[IOD]B:603 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
22249 |
95.1 |
0.0 |
0.813 |
0 |
0 |
0 |
0.007 |
Average: |
96.0 |
-0.2 |
0.764 |
0 |
0 |
0 |
0.007 |
12 |
20 |
|
[CPT]D:101 |
3 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
3298 |
87.8 |
-11.6 |
0.630 |
0 |
0 |
0 |
0.565 |
21 |
|
[CPT]T:101 |
3 |
1 |
189 |
f |
T |
x,y,z |
1_555 |
15 |
4 |
3278 |
85.8 |
-11.6 |
0.635 |
1 |
0 |
0 |
0.565 |
Average: |
86.8 |
-11.6 |
0.633 |
1 |
0 |
0 |
0.565 |
13 |
22 |
|
[IOD]B:606 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
22249 |
84.6 |
-0.6 |
0.634 |
0 |
0 |
0 |
0.011 |
23 |
|
[IOD]A:604 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22560 |
82.2 |
-0.5 |
0.654 |
0 |
0 |
0 |
0.011 |
Average: |
83.4 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.011 |
14 |
24 |
|
[IOD]B:604 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
22249 |
78.4 |
-0.5 |
0.674 |
0 |
0 |
0 |
0.009 |
25 |
|
[IOD]A:608 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22560 |
77.4 |
-0.4 |
0.629 |
0 |
0 |
0 |
0.009 |
Average: |
77.9 |
-0.5 |
0.651 |
0 |
0 |
0 |
0.009 |
15 |
26 |
|
[IOD]B:605 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
22249 |
75.7 |
0.2 |
0.834 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
P |
13 |
2 |
2245 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
2 |
2234 |
73.2 |
3.3 |
0.830 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[DZ4]B:607 |
7 |
1 |
580 |
◊ |
T |
x,y,z |
1_555 |
10 |
2 |
3278 |
65.7 |
0.7 |
0.618 |
2 |
0 |
0 |
0.013 |
29 |
|
[DZ4]A:609 |
7 |
1 |
571 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
3298 |
62.7 |
0.0 |
0.552 |
2 |
0 |
0 |
0.013 |
Average: |
64.2 |
0.4 |
0.585 |
2 |
0 |
0 |
0.013 |
18 |
30 |
|
[IOD]A:606 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
22560 |
63.2 |
-0.2 |
0.713 |
0 |
0 |
0 |
0.003 |
19 |
31 |
|
[IOD]A:607 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
22560 |
61.3 |
0.1 |
0.793 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[IOD]A:607 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
22249 |
57.0 |
-0.5 |
0.566 |
0 |
0 |
0 |
0.009 |
21 |
33 |
|
A |
7 |
3 |
22560 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
4 |
22249 |
49.3 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
22249 |
44.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.121 |
35 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
22560 |
43.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
44.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.121 |
23 |
36 |
|
B |
8 |
5 |
22249 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
4 |
22560 |
34.8 |
0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[CPT]D:101 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
2234 |
32.1 |
-0.2 |
0.829 |
0 |
0 |
0 |
0.009 |
38 |
|
[CPT]T:101 |
2 |
1 |
189 |
◊ |
P |
x,y,z |
1_555 |
2 |
2 |
2245 |
27.7 |
0.4 |
0.852 |
0 |
0 |
0 |
0.009 |
Average: |
29.9 |
0.1 |
0.841 |
0 |
0 |
0 |
0.009 |
25 |
39 |
|
[DZ4]B:607 |
5 |
1 |
580 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
40 |
|
[DZ4]A:609 |
6 |
1 |
571 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
26 |
41 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
22560 |
30.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.074 |
42 |
|
[MG]B:608 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
22249 |
27.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
29.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.074 |
27 |
43 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22560 |
30.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.073 |
44 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
22249 |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.073 |
28 |
45 |
|
[MG]A:602 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2234 |
27.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.071 |
46 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2245 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
26.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.071 |
29 |
47 |
|
B |
4 |
2 |
22249 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
22560 |
26.4 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[DZ4]A:609 |
5 |
1 |
571 |
f |
[MG]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
49 |
|
[DZ4]B:607 |
5 |
1 |
580 |
f |
[MG]B:608 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
25.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.060 |
31 |
50 |
|
[MG]A:603 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2234 |
25.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.050 |
51 |
|
[MG]B:608 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
4 |
1 |
2245 |
24.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
24.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.050 |
32 |
52 |
|
[CPT]T:101 |
2 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
22249 |
18.9 |
-1.7 |
0.714 |
0 |
0 |
0 |
0.025 |
53 |
|
[CPT]D:101 |
3 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
22560 |
16.5 |
-1.4 |
0.945 |
0 |
0 |
0 |
0.025 |
Average: |
17.7 |
-1.5 |
0.829 |
0 |
0 |
0 |
0.025 |
33 |
54 |
|
A |
2 |
1 |
22560 |
◊ |
[IOD]A:606 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
144 |
16.7 |
0.2 |
0.902 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
T |
1 |
1 |
3278 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
22560 |
13.4 |
-0.3 |
0.358 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
57 |
|
[MG]B:608 |
1 |
1 |
98 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
58 |
|
B |
2 |
2 |
22249 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
3298 |
10.8 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2234 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
60 |
|
[MG]B:602 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
2245 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
61 |
|
T |
1 |
1 |
3278 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3298 |
0.9 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.000 |
|