| ## |
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 |
|
F |
93 |
26 |
8066 |
◊ |
E |
x,y,z |
1_555 |
98 |
25 |
7769 |
931.6 |
-9.8 |
0.436 |
9 |
0 |
0 |
0.288 |
2 |
|
D |
94 |
24 |
8147 |
◊ |
C |
x,y,z |
1_555 |
101 |
27 |
7861 |
929.0 |
-10.4 |
0.415 |
9 |
1 |
0 |
0.288 |
3 |
|
H |
92 |
27 |
8105 |
◊ |
G |
x,y,z |
1_555 |
98 |
25 |
7866 |
927.1 |
-9.6 |
0.435 |
7 |
0 |
0 |
0.288 |
4 |
|
B |
90 |
23 |
8029 |
◊ |
A |
x,y,z |
1_555 |
93 |
24 |
7955 |
902.4 |
-10.4 |
0.336 |
9 |
0 |
0 |
0.288 |
5 |
|
J |
93 |
25 |
8096 |
◊ |
I |
x,y,z |
1_555 |
93 |
25 |
7630 |
901.2 |
-9.7 |
0.401 |
9 |
0 |
0 |
0.288 |
6 |
|
L |
87 |
25 |
8150 |
◊ |
K |
x,y,z |
1_555 |
87 |
22 |
7825 |
860.5 |
-11.0 |
0.293 |
9 |
0 |
0 |
0.288 |
| Average: |
908.6 |
-10.1 |
0.386 |
9 |
0 |
0 |
0.288 |
| 2 |
7 |
|
L |
81 |
17 |
8150 |
◊ |
I |
x,y,z |
1_555 |
82 |
19 |
7630 |
735.0 |
-4.7 |
0.654 |
6 |
1 |
0 |
0.123 |
8 |
|
J |
85 |
18 |
8096 |
◊ |
K |
x,y,z |
1_555 |
68 |
19 |
7825 |
691.8 |
-7.0 |
0.476 |
3 |
0 |
0 |
0.123 |
| Average: |
713.4 |
-5.9 |
0.565 |
5 |
1 |
0 |
0.123 |
| 3 |
9 |
|
D |
73 |
17 |
8147 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
7955 |
602.7 |
-3.1 |
0.673 |
5 |
1 |
0 |
0.113 |
10 |
|
F |
66 |
16 |
8066 |
◊ |
G |
x,y,z |
1_555 |
61 |
14 |
7866 |
569.4 |
-4.1 |
0.579 |
3 |
2 |
0 |
0.113 |
11 |
|
B |
67 |
16 |
8029 |
◊ |
C |
x,y,z |
1_555 |
58 |
16 |
7861 |
516.1 |
-5.2 |
0.528 |
3 |
0 |
0 |
0.113 |
12 |
|
H |
62 |
16 |
8105 |
◊ |
E |
x,y,z |
1_555 |
57 |
14 |
7769 |
502.7 |
-6.3 |
0.437 |
2 |
0 |
0 |
0.113 |
| Average: |
547.7 |
-4.7 |
0.554 |
3 |
1 |
0 |
0.113 |
| 4 |
13 |
|
[HNI]I:201 |
43 |
1 |
826 |
f |
I |
x,y,z |
1_555 |
77 |
29 |
7630 |
602.6 |
-19.1 |
0.417 |
1 |
0 |
0 |
0.394 |
14 |
|
[HNI]E:201 |
42 |
1 |
816 |
f |
E |
x,y,z |
1_555 |
71 |
28 |
7769 |
589.2 |
-21.0 |
0.168 |
1 |
0 |
0 |
0.394 |
15 |
|
[HNI]A:201 |
43 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
74 |
27 |
7955 |
570.9 |
-17.3 |
0.419 |
1 |
0 |
0 |
0.394 |
| Average: |
587.6 |
-19.1 |
0.335 |
1 |
0 |
0 |
0.394 |
| 5 |
16 |
|
[HEM]G:201 |
42 |
1 |
838 |
f |
G |
x,y,z |
1_555 |
70 |
26 |
7866 |
592.3 |
-19.7 |
0.445 |
1 |
0 |
0 |
0.402 |
17 |
|
[HEM]C:201 |
43 |
1 |
804 |
f |
C |
x,y,z |
1_555 |
69 |
28 |
7861 |
590.3 |
-20.7 |
0.341 |
0 |
0 |
0 |
0.402 |
| Average: |
591.3 |
-20.2 |
0.393 |
1 |
0 |
0 |
0.402 |
| 6 |
18 |
|
[HEM]K:201 |
43 |
1 |
830 |
f |
K |
x,y,z |
1_555 |
72 |
27 |
7825 |
581.2 |
-20.6 |
0.321 |
1 |
0 |
0 |
0.405 |
| 7 |
19 |
|
[HEM]B:201 |
42 |
1 |
787 |
f |
B |
x,y,z |
1_555 |
63 |
25 |
8029 |
558.4 |
-17.8 |
0.393 |
1 |
0 |
0 |
0.362 |
20 |
|
[HEM]J:201 |
43 |
1 |
815 |
f |
J |
x,y,z |
1_555 |
63 |
26 |
8096 |
558.4 |
-19.1 |
0.309 |
0 |
0 |
0 |
0.362 |
21 |
|
[HEM]F:201 |
43 |
1 |
812 |
f |
F |
x,y,z |
1_555 |
63 |
25 |
8066 |
556.4 |
-19.2 |
0.292 |
0 |
0 |
0 |
0.362 |
| Average: |
557.7 |
-18.7 |
0.331 |
0 |
0 |
0 |
0.362 |
| 8 |
22 |
|
[HNI]H:201 |
43 |
1 |
795 |
f |
H |
x,y,z |
1_555 |
63 |
25 |
8105 |
546.9 |
-17.3 |
0.245 |
0 |
0 |
0 |
0.345 |
23 |
|
[HNI]D:201 |
42 |
1 |
818 |
f |
D |
x,y,z |
1_555 |
54 |
23 |
8147 |
537.2 |
-16.9 |
0.214 |
0 |
0 |
0 |
0.345 |
| Average: |
542.0 |
-17.1 |
0.230 |
0 |
0 |
0 |
0.345 |
| 9 |
24 |
|
[HNI]L:201 |
42 |
1 |
804 |
f |
L |
x,y,z |
1_555 |
63 |
25 |
8150 |
540.1 |
-16.0 |
0.342 |
0 |
0 |
0 |
0.307 |
| 10 |
25 |
|
G |
39 |
12 |
7866 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
8 |
7861 |
284.4 |
-0.9 |
0.697 |
2 |
0 |
0 |
0.000 |
| 11 |
26 |
|
F |
29 |
8 |
8066 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
8029 |
283.3 |
1.1 |
0.825 |
12 |
4 |
0 |
0.000 |
| 12 |
27 |
|
C |
29 |
12 |
7861 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
7955 |
276.5 |
1.7 |
0.879 |
3 |
0 |
0 |
0.000 |
| 13 |
28 |
|
G |
26 |
7 |
7866 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
8 |
8029 |
252.6 |
-0.1 |
0.708 |
3 |
0 |
0 |
0.000 |
| 14 |
29 |
|
J |
19 |
6 |
8096 |
◊ |
F |
x,y,z |
1_555 |
37 |
10 |
8066 |
241.7 |
-2.7 |
0.297 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
J |
29 |
8 |
8096 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
9 |
7630 |
238.9 |
-0.6 |
0.711 |
3 |
0 |
0 |
0.000 |
| 16 |
31 |
|
H |
25 |
8 |
8105 |
◊ |
F |
x,y,z |
1_555 |
24 |
8 |
8066 |
215.8 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
18 |
4 |
8147 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
8029 |
166.3 |
0.8 |
0.789 |
0 |
0 |
0 |
0.000 |
| Average: |
191.1 |
0.5 |
0.764 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
B |
24 |
8 |
8029 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
29 |
10 |
7825 |
208.8 |
-2.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
H |
18 |
5 |
8105 |
◊ |
D |
-x,y,-z |
2_555 |
24 |
7 |
8147 |
202.8 |
1.4 |
0.812 |
3 |
0 |
0 |
0.000 |
| 19 |
35 |
|
D |
24 |
7 |
8147 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
27 |
9 |
7955 |
196.9 |
-0.7 |
0.687 |
3 |
3 |
0 |
0.000 |
| 20 |
36 |
|
[PEM]I:202 |
16 |
1 |
593 |
◊ |
I |
x,y,z |
1_555 |
25 |
9 |
7630 |
191.8 |
-2.5 |
0.536 |
0 |
0 |
0 |
0.042 |
| 21 |
37 |
|
E |
26 |
8 |
7769 |
◊ |
L |
-x,y-1,-z+1 |
2_546 |
23 |
7 |
8150 |
191.4 |
-0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
G |
16 |
5 |
7866 |
◊ |
L |
-x,y-1,-z+1 |
2_546 |
28 |
9 |
8150 |
168.6 |
-0.7 |
0.616 |
1 |
0 |
0 |
0.000 |
| 23 |
39 |
|
J |
17 |
6 |
8096 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
10 |
7955 |
165.6 |
1.1 |
0.745 |
1 |
0 |
0 |
0.000 |
| 24 |
40 |
|
L |
23 |
6 |
8150 |
◊ |
H |
-x,y,-z+1 |
2_556 |
23 |
6 |
8105 |
162.5 |
-1.0 |
0.627 |
1 |
1 |
0 |
0.000 |
| 25 |
41 |
|
G |
14 |
4 |
7866 |
◊ |
C |
-x,y-1,-z |
2_545 |
20 |
6 |
7861 |
149.0 |
0.7 |
0.753 |
1 |
0 |
0 |
0.000 |
| 26 |
42 |
|
H |
29 |
10 |
8105 |
◊ |
C |
-x,y-1,-z |
2_545 |
14 |
6 |
7861 |
143.3 |
-0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
F |
20 |
7 |
8066 |
◊ |
B |
x,y-1,z |
1_545 |
17 |
7 |
8029 |
141.0 |
-2.4 |
0.329 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
A |
19 |
5 |
7955 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
14 |
6 |
7955 |
138.6 |
1.3 |
0.846 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[PEM]I:202 |
16 |
1 |
593 |
◊ |
K |
x,y,z |
1_555 |
15 |
7 |
7825 |
133.8 |
0.3 |
0.580 |
1 |
0 |
0 |
0.000 |
| 30 |
46 |
|
D |
13 |
4 |
8147 |
◊ |
K |
x,y,z-1 |
1_554 |
16 |
6 |
7825 |
128.7 |
-1.0 |
0.514 |
1 |
1 |
0 |
0.000 |
| 31 |
47 |
|
F |
11 |
4 |
8066 |
◊ |
I |
x,y-1,z |
1_545 |
14 |
5 |
7630 |
120.8 |
-2.0 |
0.364 |
0 |
1 |
0 |
0.000 |
| 32 |
48 |
|
E |
14 |
6 |
7769 |
◊ |
I |
x,y-1,z |
1_545 |
14 |
4 |
7630 |
117.7 |
-1.3 |
0.481 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
J |
10 |
4 |
8096 |
◊ |
I |
x,y-1,z |
1_545 |
14 |
4 |
7630 |
114.7 |
-0.2 |
0.665 |
2 |
0 |
0 |
0.000 |
| 34 |
50 |
|
L |
12 |
5 |
8150 |
◊ |
J |
x,y,z |
1_555 |
14 |
5 |
8096 |
114.3 |
-0.7 |
0.605 |
0 |
0 |
0 |
0.005 |
| 35 |
51 |
|
J |
16 |
6 |
8096 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
7 |
8029 |
113.6 |
-0.4 |
0.560 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
G |
16 |
8 |
7866 |
◊ |
H |
x,y-1,z |
1_545 |
14 |
6 |
8105 |
112.6 |
-0.5 |
0.567 |
1 |
1 |
0 |
0.000 |
| 37 |
53 |
|
K |
15 |
4 |
7825 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
5 |
7955 |
111.6 |
-1.4 |
0.512 |
0 |
0 |
0 |
0.000 |
| 38 |
54 |
|
F |
11 |
4 |
8066 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
7630 |
110.8 |
0.1 |
0.678 |
2 |
0 |
0 |
0.000 |
| 39 |
55 |
|
L |
18 |
9 |
8150 |
◊ |
E |
-x,y,-z+1 |
2_556 |
15 |
4 |
7769 |
109.4 |
-2.2 |
0.411 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
C |
11 |
5 |
7861 |
◊ |
K |
x,y,z-1 |
1_554 |
8 |
4 |
7825 |
109.4 |
-0.7 |
0.564 |
1 |
1 |
0 |
0.000 |
| 41 |
57 |
|
G |
9 |
6 |
7866 |
◊ |
E |
x,y,z |
1_555 |
12 |
7 |
7769 |
95.7 |
2.8 |
0.948 |
1 |
0 |
0 |
0.000 |
| 42 |
58 |
|
G |
13 |
6 |
7866 |
◊ |
D |
-x,y-1,-z |
2_545 |
7 |
3 |
8147 |
89.4 |
-0.8 |
0.265 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
E |
10 |
4 |
7769 |
◊ |
L |
x,y-1,z |
1_545 |
8 |
3 |
8150 |
86.0 |
-0.6 |
0.429 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
A |
13 |
5 |
7955 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
7861 |
84.6 |
-1.1 |
0.339 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
G |
10 |
3 |
7866 |
◊ |
K |
-x,y-1,-z+1 |
2_546 |
8 |
2 |
7825 |
84.3 |
-2.3 |
0.220 |
0 |
0 |
0 |
0.000 |
| 46 |
62 |
|
[PEM]I:202 |
4 |
1 |
593 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
8096 |
67.9 |
-5.4 |
0.250 |
0 |
0 |
0 |
0.090 |
| 47 |
63 |
|
D |
10 |
5 |
8147 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
5 |
7861 |
63.0 |
-0.9 |
0.423 |
0 |
0 |
0 |
0.000 |
| 48 |
64 |
|
G |
9 |
3 |
7866 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
2 |
8066 |
57.0 |
-0.7 |
0.361 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
A |
5 |
3 |
7955 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
7825 |
48.0 |
0.7 |
0.806 |
1 |
0 |
0 |
0.000 |
| 50 |
66 |
|
K |
8 |
5 |
7825 |
◊ |
I |
x,y,z |
1_555 |
9 |
5 |
7630 |
46.4 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| 51 |
67 |
|
J |
5 |
3 |
8096 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7769 |
42.6 |
-1.3 |
0.204 |
0 |
0 |
0 |
0.000 |
| 52 |
68 |
|
G |
5 |
1 |
7866 |
◊ |
[HEM]B:201 |
x,y-1,z |
1_545 |
3 |
1 |
787 |
33.5 |
-0.7 |
0.675 |
0 |
0 |
0 |
0.000 |
| 53 |
69 |
|
L |
3 |
2 |
8150 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
7769 |
30.7 |
1.1 |
0.710 |
1 |
0 |
0 |
0.000 |
| 54 |
70 |
|
H |
3 |
1 |
8105 |
◊ |
K |
-x,y-1,-z+1 |
2_546 |
2 |
1 |
7825 |
25.9 |
0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
| 55 |
71 |
|
[HEM]G:201 |
3 |
1 |
838 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
8029 |
25.6 |
-1.4 |
0.537 |
0 |
0 |
0 |
0.000 |
| 56 |
72 |
|
L |
3 |
1 |
8150 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8066 |
25.6 |
0.7 |
0.679 |
0 |
0 |
0 |
0.000 |
| 57 |
73 |
|
H |
2 |
1 |
8105 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8147 |
24.0 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
| 58 |
74 |
|
[PEM]I:202 |
4 |
1 |
593 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
8150 |
21.3 |
-0.4 |
0.384 |
0 |
0 |
0 |
0.003 |
| 59 |
75 |
|
J |
3 |
2 |
8096 |
◊ |
K |
x,y-1,z |
1_545 |
4 |
2 |
7825 |
20.0 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
| 60 |
76 |
|
H |
4 |
3 |
8105 |
◊ |
H |
-x,y,-z |
2_555 |
4 |
3 |
8105 |
12.9 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.000 |
| 61 |
77 |
|
[HEM]F:201 |
1 |
1 |
812 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
8029 |
12.2 |
-0.8 |
0.329 |
0 |
0 |
0 |
0.000 |
| 62 |
78 |
|
[HNI]E:201 |
2 |
1 |
816 |
◊ |
L |
-x,y,-z+1 |
2_556 |
2 |
2 |
8150 |
10.0 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.000 |
| 63 |
79 |
|
[HNI]D:201 |
3 |
1 |
818 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
7861 |
6.2 |
-0.1 |
0.828 |
0 |
0 |
0 |
0.000 |
| 64 |
80 |
|
D |
1 |
1 |
8147 |
◊ |
[HEM]C:201 |
x,y-1,z |
1_545 |
1 |
1 |
804 |
4.7 |
-0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
|