## |
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 |
|
L |
330 |
81 |
14949 |
◊ |
K |
x,y,z |
1_555 |
333 |
84 |
17589 |
3066.9 |
-16.3 |
0.280 |
50 |
13 |
0 |
0.538 |
2 |
|
D |
326 |
80 |
14727 |
◊ |
C |
x,y,z |
1_555 |
337 |
81 |
17359 |
3029.3 |
-15.6 |
0.424 |
55 |
12 |
0 |
0.538 |
3 |
|
J |
324 |
79 |
14760 |
◊ |
I |
x,y,z |
1_555 |
334 |
80 |
17472 |
3027.8 |
-18.4 |
0.309 |
50 |
14 |
0 |
0.538 |
4 |
|
F |
325 |
80 |
14837 |
◊ |
E |
x,y,z |
1_555 |
329 |
78 |
17327 |
3019.1 |
-17.9 |
0.285 |
53 |
11 |
0 |
0.538 |
5 |
|
H |
324 |
80 |
14701 |
◊ |
G |
x,y,z |
1_555 |
336 |
82 |
17436 |
3012.8 |
-17.8 |
0.366 |
51 |
13 |
0 |
0.538 |
6 |
|
B |
320 |
76 |
14704 |
◊ |
A |
x,y,z |
1_555 |
325 |
78 |
17178 |
3000.6 |
-16.4 |
0.427 |
53 |
14 |
0 |
0.538 |
Average: |
3026.1 |
-17.1 |
0.348 |
52 |
13 |
0 |
0.538 |
2 |
7 |
|
C |
64 |
17 |
17359 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
59 |
15 |
17178 |
574.9 |
-3.6 |
0.258 |
10 |
3 |
0 |
0.000 |
8 |
|
E |
63 |
15 |
17327 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
62 |
16 |
17436 |
562.3 |
-4.6 |
0.214 |
9 |
4 |
0 |
0.000 |
Average: |
568.6 |
-4.1 |
0.236 |
10 |
4 |
0 |
0.000 |
3 |
9 |
|
I |
58 |
16 |
17472 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
61 |
17 |
17327 |
551.0 |
-2.6 |
0.318 |
8 |
3 |
0 |
0.000 |
4 |
10 |
|
I |
60 |
16 |
17472 |
◊ |
C |
x,y,z |
1_555 |
58 |
15 |
17359 |
540.3 |
-2.5 |
0.314 |
8 |
4 |
0 |
0.000 |
11 |
|
K |
57 |
13 |
17589 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
17178 |
538.6 |
-2.8 |
0.302 |
9 |
3 |
0 |
0.000 |
12 |
|
K |
58 |
16 |
17589 |
◊ |
G |
-x,y,-z |
2_555 |
61 |
14 |
17436 |
530.9 |
-2.8 |
0.262 |
8 |
4 |
0 |
0.000 |
Average: |
536.6 |
-2.7 |
0.292 |
8 |
4 |
0 |
0.000 |
5 |
13 |
|
L |
63 |
14 |
14949 |
◊ |
F |
-x,y,-z+1 |
2_556 |
68 |
19 |
14837 |
539.3 |
1.0 |
0.700 |
11 |
5 |
0 |
0.000 |
14 |
|
J |
59 |
12 |
14760 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
14704 |
529.1 |
0.5 |
0.758 |
11 |
2 |
0 |
0.000 |
Average: |
534.2 |
0.7 |
0.729 |
11 |
4 |
0 |
0.000 |
6 |
15 |
|
K |
48 |
15 |
17589 |
◊ |
K |
-x,y,-z |
2_555 |
47 |
15 |
17589 |
429.9 |
4.0 |
0.886 |
8 |
2 |
0 |
0.000 |
16 |
|
E |
41 |
12 |
17327 |
◊ |
C |
x,y,z |
1_555 |
42 |
12 |
17359 |
359.4 |
1.0 |
0.729 |
6 |
2 |
0 |
0.000 |
17 |
|
G |
37 |
13 |
17436 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
17178 |
346.7 |
1.3 |
0.773 |
5 |
2 |
0 |
0.000 |
Average: |
378.7 |
2.1 |
0.796 |
6 |
2 |
0 |
0.000 |
7 |
18 |
|
I |
44 |
11 |
17472 |
◊ |
I |
-x+1,y,-z+2 |
2_657 |
44 |
11 |
17472 |
404.8 |
2.0 |
0.814 |
8 |
4 |
0 |
0.000 |
8 |
19 |
|
D |
48 |
11 |
14727 |
◊ |
K |
x,y,z |
1_555 |
34 |
9 |
17589 |
385.2 |
3.6 |
0.830 |
9 |
2 |
0 |
0.000 |
20 |
|
H |
37 |
11 |
14701 |
◊ |
I |
-x+1,y,-z+1 |
2_656 |
27 |
6 |
17472 |
271.0 |
2.9 |
0.877 |
5 |
2 |
0 |
0.000 |
Average: |
328.1 |
3.3 |
0.853 |
7 |
2 |
0 |
0.000 |
9 |
21 |
|
[MGM]L:379 |
24 |
1 |
733 |
f |
L |
x,y,z |
1_555 |
48 |
24 |
14949 |
377.7 |
-4.9 |
0.328 |
5 |
0 |
0 |
0.129 |
22 |
|
[MGM]H:380 |
24 |
1 |
735 |
f |
H |
x,y,z |
1_555 |
48 |
24 |
14701 |
376.5 |
-5.0 |
0.331 |
5 |
0 |
0 |
0.129 |
23 |
|
[MGM]J:379 |
24 |
1 |
732 |
f |
J |
x,y,z |
1_555 |
49 |
24 |
14760 |
376.2 |
-5.1 |
0.314 |
5 |
0 |
0 |
0.129 |
24 |
|
[MGM]F:380 |
26 |
1 |
737 |
f |
F |
x,y,z |
1_555 |
49 |
24 |
14837 |
375.7 |
-4.9 |
0.328 |
5 |
0 |
0 |
0.129 |
25 |
|
[MGM]D:380 |
25 |
1 |
735 |
f |
D |
x,y,z |
1_555 |
48 |
24 |
14727 |
374.5 |
-4.9 |
0.336 |
5 |
0 |
0 |
0.129 |
26 |
|
[MGM]B:379 |
25 |
1 |
734 |
f |
B |
x,y,z |
1_555 |
49 |
24 |
14704 |
373.8 |
-4.9 |
0.331 |
5 |
0 |
0 |
0.129 |
Average: |
375.7 |
-4.9 |
0.328 |
5 |
0 |
0 |
0.129 |
10 |
27 |
|
N |
29 |
6 |
955 |
◊ |
D |
x,y,z |
1_555 |
47 |
22 |
14727 |
348.4 |
-6.1 |
0.384 |
3 |
0 |
0 |
0.138 |
28 |
|
Q |
29 |
6 |
950 |
◊ |
J |
x,y,z |
1_555 |
47 |
22 |
14760 |
348.3 |
-6.3 |
0.353 |
3 |
0 |
0 |
0.138 |
29 |
|
R |
29 |
6 |
952 |
◊ |
L |
x,y,z |
1_555 |
45 |
21 |
14949 |
347.2 |
-6.1 |
0.349 |
3 |
0 |
0 |
0.138 |
30 |
|
P |
29 |
6 |
953 |
◊ |
H |
x,y,z |
1_555 |
46 |
21 |
14701 |
345.9 |
-6.1 |
0.387 |
4 |
0 |
0 |
0.138 |
31 |
|
M |
29 |
6 |
955 |
◊ |
B |
x,y,z |
1_555 |
45 |
22 |
14704 |
344.7 |
-6.2 |
0.366 |
4 |
0 |
0 |
0.138 |
32 |
|
O |
29 |
6 |
952 |
◊ |
F |
x,y,z |
1_555 |
45 |
21 |
14837 |
343.9 |
-6.2 |
0.339 |
4 |
0 |
0 |
0.138 |
Average: |
346.4 |
-6.2 |
0.363 |
4 |
0 |
0 |
0.138 |
11 |
33 |
|
[MES]F:381 |
10 |
1 |
342 |
◊ |
F |
x,y,z |
1_555 |
20 |
6 |
14837 |
139.0 |
3.3 |
0.148 |
0 |
0 |
0 |
0.000 |
12 |
34 |
|
[MGM]D:380 |
15 |
1 |
735 |
◊ |
N |
x,y,z |
1_555 |
16 |
4 |
955 |
133.2 |
-1.6 |
0.566 |
0 |
0 |
0 |
0.026 |
35 |
|
[MGM]J:379 |
16 |
1 |
732 |
◊ |
Q |
x,y,z |
1_555 |
14 |
4 |
950 |
132.8 |
-1.5 |
0.549 |
0 |
0 |
0 |
0.026 |
36 |
|
[MGM]B:379 |
16 |
1 |
734 |
◊ |
M |
x,y,z |
1_555 |
16 |
4 |
955 |
132.8 |
-1.4 |
0.578 |
0 |
0 |
0 |
0.026 |
37 |
|
[MGM]F:380 |
15 |
1 |
737 |
◊ |
O |
x,y,z |
1_555 |
14 |
4 |
952 |
132.8 |
-1.5 |
0.543 |
0 |
0 |
0 |
0.026 |
38 |
|
[MGM]L:379 |
15 |
1 |
733 |
◊ |
R |
x,y,z |
1_555 |
15 |
4 |
952 |
132.4 |
-1.4 |
0.572 |
0 |
0 |
0 |
0.026 |
39 |
|
[MGM]H:380 |
16 |
1 |
735 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
953 |
131.6 |
-1.4 |
0.568 |
0 |
0 |
0 |
0.026 |
Average: |
132.6 |
-1.5 |
0.563 |
0 |
0 |
0 |
0.026 |
13 |
40 |
|
[MGM]D:380 |
12 |
1 |
735 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
17359 |
122.7 |
-0.7 |
0.556 |
2 |
0 |
0 |
0.020 |
41 |
|
[MGM]F:380 |
12 |
1 |
737 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
17327 |
122.4 |
-0.7 |
0.557 |
2 |
0 |
0 |
0.020 |
42 |
|
[MGM]B:379 |
12 |
1 |
734 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
17178 |
122.3 |
-0.6 |
0.567 |
2 |
0 |
0 |
0.020 |
43 |
|
[MGM]H:380 |
12 |
1 |
735 |
◊ |
G |
x,y,z |
1_555 |
19 |
7 |
17436 |
121.5 |
-0.7 |
0.557 |
2 |
0 |
0 |
0.020 |
44 |
|
[MGM]L:379 |
12 |
1 |
733 |
◊ |
K |
x,y,z |
1_555 |
19 |
7 |
17589 |
121.2 |
-0.5 |
0.561 |
2 |
0 |
0 |
0.020 |
45 |
|
[MGM]J:379 |
12 |
1 |
732 |
◊ |
I |
x,y,z |
1_555 |
19 |
7 |
17472 |
120.7 |
-0.7 |
0.557 |
2 |
0 |
0 |
0.020 |
Average: |
121.8 |
-0.7 |
0.559 |
2 |
0 |
0 |
0.020 |
14 |
46 |
|
O |
13 |
3 |
952 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
17327 |
121.4 |
-0.4 |
0.571 |
1 |
0 |
0 |
0.010 |
47 |
|
N |
13 |
3 |
955 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
17359 |
121.3 |
-0.3 |
0.577 |
1 |
0 |
0 |
0.010 |
48 |
|
M |
13 |
3 |
955 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
17178 |
120.8 |
-0.3 |
0.602 |
1 |
0 |
0 |
0.010 |
49 |
|
P |
13 |
3 |
953 |
◊ |
G |
x,y,z |
1_555 |
18 |
7 |
17436 |
116.3 |
-0.4 |
0.592 |
1 |
0 |
0 |
0.010 |
50 |
|
R |
12 |
3 |
952 |
◊ |
K |
x,y,z |
1_555 |
18 |
7 |
17589 |
114.4 |
-0.4 |
0.571 |
1 |
0 |
0 |
0.010 |
51 |
|
Q |
12 |
3 |
950 |
◊ |
I |
x,y,z |
1_555 |
17 |
7 |
17472 |
110.9 |
-0.5 |
0.580 |
1 |
0 |
0 |
0.010 |
Average: |
117.5 |
-0.4 |
0.582 |
1 |
0 |
0 |
0.010 |
15 |
52 |
|
I |
10 |
3 |
17472 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
9 |
3 |
17436 |
92.1 |
2.0 |
0.882 |
2 |
3 |
0 |
0.000 |
53 |
|
K |
13 |
4 |
17589 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
17359 |
91.6 |
0.3 |
0.648 |
1 |
2 |
0 |
0.000 |
Average: |
91.9 |
1.1 |
0.765 |
2 |
3 |
0 |
0.000 |
16 |
54 |
|
[MES]F:381 |
10 |
1 |
342 |
f |
L |
-x,y,-z+1 |
2_556 |
12 |
3 |
14949 |
90.8 |
1.9 |
0.052 |
0 |
0 |
0 |
0.000 |
17 |
55 |
|
[CL]H:379 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
4 |
14701 |
71.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.164 |
56 |
|
[CL]F:379 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
18 |
4 |
14837 |
71.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.164 |
57 |
|
[CL]D:379 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
14727 |
70.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
71.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.164 |
18 |
58 |
|
H |
12 |
5 |
14701 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14704 |
60.9 |
2.3 |
0.917 |
2 |
2 |
0 |
0.000 |
59 |
|
L |
6 |
3 |
14949 |
◊ |
L |
-x,y,-z |
2_555 |
6 |
3 |
14949 |
48.5 |
-0.5 |
0.474 |
0 |
0 |
0 |
0.000 |
60 |
|
F |
3 |
2 |
14837 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14727 |
28.9 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
46.1 |
0.6 |
0.692 |
1 |
1 |
0 |
0.000 |
19 |
61 |
|
D |
6 |
3 |
14727 |
◊ |
D |
-x,y,-z+1 |
2_556 |
6 |
3 |
14727 |
56.0 |
-1.8 |
0.130 |
0 |
0 |
0 |
0.000 |
20 |
62 |
|
J |
4 |
2 |
14760 |
◊ |
J |
-x+1,y,-z+2 |
2_657 |
4 |
2 |
14760 |
51.7 |
1.0 |
0.877 |
0 |
0 |
0 |
0.000 |
21 |
63 |
|
[ZN]D:378 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
14727 |
37.9 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.509 |
64 |
|
[ZN]H:378 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
5 |
14701 |
37.9 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.509 |
65 |
|
[ZN]J:378 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
5 |
14760 |
37.9 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.509 |
66 |
|
[ZN]L:378 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
6 |
5 |
14949 |
37.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.509 |
67 |
|
[ZN]B:378 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
14704 |
37.7 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.509 |
68 |
|
[ZN]F:378 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
14837 |
37.6 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.509 |
Average: |
37.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.509 |
22 |
69 |
|
[ZN]F:378 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
952 |
27.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.235 |
70 |
|
[ZN]B:378 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
955 |
27.3 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.235 |
71 |
|
[ZN]L:378 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
952 |
27.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.235 |
72 |
|
[ZN]H:378 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
953 |
27.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.235 |
73 |
|
[ZN]D:378 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
955 |
26.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.235 |
74 |
|
[ZN]J:378 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
950 |
26.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.235 |
Average: |
27.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.235 |
23 |
75 |
|
L |
4 |
3 |
14949 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14727 |
21.2 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
76 |
|
J |
2 |
2 |
14760 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
14701 |
18.3 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
Average: |
19.7 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
24 |
77 |
|
H |
2 |
1 |
14701 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
14704 |
13.3 |
-0.4 |
0.216 |
0 |
0 |
0 |
0.000 |
|