## |
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 |
|
W |
123 |
35 |
6987 |
◊ |
U |
x,y,z |
1_555 |
131 |
38 |
16195 |
1208.0 |
-8.8 |
0.324 |
5 |
3 |
0 |
1.000 |
2 |
|
K |
125 |
34 |
6812 |
◊ |
I |
x,y,z |
1_555 |
129 |
38 |
16155 |
1162.6 |
-11.7 |
0.210 |
3 |
3 |
0 |
1.000 |
3 |
|
S |
112 |
30 |
6933 |
◊ |
Q |
x,y,z |
1_555 |
131 |
42 |
16612 |
1134.0 |
-11.1 |
0.177 |
2 |
2 |
0 |
1.000 |
4 |
|
G |
120 |
33 |
6803 |
◊ |
E |
x,y,z |
1_555 |
115 |
36 |
16785 |
1117.9 |
-9.8 |
0.259 |
6 |
7 |
0 |
1.000 |
5 |
|
O |
121 |
34 |
6948 |
◊ |
M |
x,y,z |
1_555 |
123 |
37 |
16615 |
1115.5 |
-10.3 |
0.239 |
5 |
4 |
0 |
1.000 |
6 |
|
C |
111 |
31 |
6788 |
◊ |
A |
x,y,z |
1_555 |
115 |
37 |
16789 |
1085.0 |
-8.2 |
0.238 |
3 |
5 |
0 |
1.000 |
Average: |
1137.2 |
-10.0 |
0.241 |
4 |
4 |
0 |
1.000 |
2 |
7 |
|
N |
65 |
9 |
1431 |
◊ |
M |
x,y,z |
1_555 |
111 |
32 |
16615 |
886.4 |
-13.7 |
0.587 |
3 |
1 |
0 |
1.000 |
8 |
|
F |
64 |
9 |
1421 |
◊ |
E |
x,y,z |
1_555 |
111 |
33 |
16785 |
863.1 |
-13.5 |
0.492 |
3 |
1 |
0 |
1.000 |
9 |
|
R |
65 |
9 |
1380 |
◊ |
Q |
x,y,z |
1_555 |
107 |
31 |
16612 |
861.1 |
-11.2 |
0.645 |
4 |
1 |
0 |
1.000 |
10 |
|
V |
62 |
9 |
1409 |
◊ |
U |
x,y,z |
1_555 |
112 |
31 |
16195 |
853.1 |
-14.6 |
0.416 |
3 |
0 |
0 |
1.000 |
11 |
|
B |
60 |
9 |
1359 |
◊ |
A |
x,y,z |
1_555 |
113 |
34 |
16789 |
838.6 |
-11.6 |
0.553 |
3 |
1 |
0 |
1.000 |
12 |
|
J |
62 |
9 |
1411 |
◊ |
I |
x,y,z |
1_555 |
116 |
35 |
16155 |
835.2 |
-13.4 |
0.537 |
4 |
1 |
0 |
1.000 |
Average: |
856.2 |
-13.0 |
0.538 |
3 |
1 |
0 |
1.000 |
3 |
13 |
|
L |
80 |
22 |
7130 |
◊ |
I |
x,y,z |
1_555 |
85 |
25 |
16155 |
761.8 |
-3.9 |
0.617 |
3 |
0 |
0 |
0.030 |
14 |
|
D |
86 |
23 |
6899 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
16789 |
758.9 |
-3.3 |
0.564 |
6 |
1 |
0 |
0.030 |
15 |
|
X |
81 |
23 |
6834 |
◊ |
U |
x,y,z |
1_555 |
82 |
24 |
16195 |
724.9 |
-1.6 |
0.668 |
7 |
2 |
0 |
0.030 |
16 |
|
H |
77 |
22 |
7020 |
◊ |
E |
x,y,z |
1_555 |
80 |
23 |
16785 |
717.0 |
-3.2 |
0.595 |
6 |
2 |
0 |
0.030 |
17 |
|
T |
78 |
22 |
7205 |
◊ |
Q |
x,y,z |
1_555 |
79 |
24 |
16612 |
673.9 |
-5.1 |
0.516 |
4 |
0 |
0 |
0.030 |
18 |
|
P |
79 |
23 |
6983 |
◊ |
M |
x,y,z |
1_555 |
75 |
25 |
16615 |
660.9 |
-3.8 |
0.603 |
5 |
0 |
0 |
0.030 |
Average: |
716.2 |
-3.5 |
0.594 |
5 |
1 |
0 |
0.030 |
4 |
19 |
|
P |
69 |
17 |
6983 |
◊ |
L |
x,y,z |
1_555 |
65 |
17 |
7130 |
585.6 |
-3.7 |
0.647 |
4 |
0 |
0 |
0.000 |
20 |
|
H |
60 |
18 |
7020 |
◊ |
D |
-y,x-y,z |
2_555 |
58 |
14 |
6899 |
547.8 |
-3.4 |
0.584 |
5 |
0 |
0 |
0.000 |
21 |
|
T |
64 |
17 |
7205 |
◊ |
X |
-y,x-y-1,z |
2_545 |
62 |
15 |
6834 |
546.9 |
-4.7 |
0.566 |
4 |
0 |
0 |
0.000 |
Average: |
560.1 |
-3.9 |
0.599 |
4 |
0 |
0 |
0.000 |
5 |
22 |
|
H |
44 |
15 |
7020 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
16789 |
460.9 |
-3.4 |
0.421 |
1 |
1 |
0 |
0.000 |
23 |
|
T |
44 |
14 |
7205 |
◊ |
U |
x,y,z |
1_555 |
50 |
13 |
16195 |
422.6 |
-3.8 |
0.430 |
4 |
2 |
0 |
0.000 |
24 |
|
X |
44 |
15 |
6834 |
◊ |
Q |
x,y,z |
1_555 |
48 |
13 |
16612 |
407.8 |
-6.4 |
0.205 |
0 |
0 |
0 |
0.000 |
25 |
|
P |
41 |
14 |
6983 |
◊ |
I |
-y+1,x-y,z |
2_655 |
49 |
13 |
16155 |
405.4 |
-3.5 |
0.432 |
2 |
2 |
0 |
0.000 |
26 |
|
M |
42 |
12 |
16615 |
◊ |
L |
-y+1,x-y,z |
2_655 |
42 |
15 |
7130 |
370.9 |
-6.3 |
0.181 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
38 |
14 |
6899 |
◊ |
E |
x,y,z |
1_555 |
35 |
9 |
16785 |
343.9 |
-3.9 |
0.271 |
1 |
0 |
0 |
0.000 |
Average: |
401.9 |
-4.6 |
0.324 |
1 |
1 |
0 |
0.000 |
6 |
28 |
|
L |
44 |
13 |
7130 |
◊ |
H |
x,y,z |
1_555 |
45 |
11 |
7020 |
430.5 |
-6.1 |
0.286 |
1 |
0 |
0 |
0.000 |
7 |
29 |
|
Q |
45 |
12 |
16612 |
x |
Q |
-y,x-y-1,z |
2_545 |
49 |
16 |
16612 |
420.8 |
3.1 |
0.867 |
3 |
4 |
0 |
0.000 |
30 |
|
E |
47 |
13 |
16785 |
x |
E |
-y,x-y,z |
2_555 |
45 |
14 |
16785 |
366.6 |
0.3 |
0.699 |
5 |
7 |
0 |
0.000 |
31 |
|
M |
42 |
13 |
16615 |
x |
M |
-y+1,x-y,z |
2_655 |
38 |
12 |
16615 |
345.7 |
-1.1 |
0.618 |
1 |
2 |
0 |
0.000 |
32 |
|
U |
38 |
13 |
16195 |
x |
U |
-y,x-y-1,z |
2_545 |
35 |
9 |
16195 |
311.6 |
0.4 |
0.701 |
1 |
3 |
0 |
0.000 |
33 |
|
I |
35 |
11 |
16155 |
x |
I |
-y+1,x-y,z |
2_655 |
38 |
14 |
16155 |
278.3 |
-2.4 |
0.476 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
32 |
13 |
16789 |
x |
A |
-y,x-y,z |
2_555 |
31 |
10 |
16789 |
237.8 |
-1.0 |
0.529 |
1 |
2 |
0 |
0.000 |
Average: |
326.8 |
-0.1 |
0.648 |
2 |
3 |
0 |
0.000 |
8 |
35 |
|
H |
33 |
8 |
7020 |
◊ |
G |
x,y,z |
1_555 |
41 |
11 |
6803 |
338.9 |
-3.8 |
0.236 |
1 |
0 |
0 |
0.021 |
36 |
|
L |
33 |
8 |
7130 |
◊ |
K |
x,y,z |
1_555 |
39 |
10 |
6812 |
322.0 |
-2.9 |
0.256 |
1 |
0 |
0 |
0.021 |
37 |
|
X |
31 |
8 |
6834 |
◊ |
W |
x,y,z |
1_555 |
42 |
11 |
6987 |
318.9 |
-3.2 |
0.273 |
0 |
0 |
0 |
0.021 |
38 |
|
T |
34 |
10 |
7205 |
◊ |
S |
x,y,z |
1_555 |
39 |
10 |
6933 |
317.3 |
-3.6 |
0.229 |
0 |
0 |
0 |
0.021 |
39 |
|
D |
32 |
8 |
6899 |
◊ |
C |
x,y,z |
1_555 |
40 |
10 |
6788 |
297.2 |
-3.2 |
0.261 |
1 |
0 |
0 |
0.021 |
40 |
|
P |
31 |
8 |
6983 |
◊ |
O |
x,y,z |
1_555 |
38 |
10 |
6948 |
296.7 |
-3.8 |
0.267 |
3 |
0 |
0 |
0.021 |
Average: |
315.2 |
-3.4 |
0.254 |
1 |
0 |
0 |
0.021 |
9 |
41 |
|
I |
29 |
4 |
16155 |
◊ |
M |
x,y,z-1 |
1_554 |
28 |
6 |
16615 |
284.6 |
0.9 |
0.689 |
0 |
0 |
0 |
0.000 |
42 |
|
E |
29 |
7 |
16785 |
◊ |
A |
-y,x-y,z-1 |
2_554 |
31 |
6 |
16789 |
256.6 |
0.6 |
0.653 |
0 |
0 |
0 |
0.000 |
43 |
|
Q |
23 |
5 |
16612 |
◊ |
U |
-y,x-y-1,z-1 |
2_544 |
23 |
4 |
16195 |
191.8 |
-0.7 |
0.530 |
1 |
0 |
0 |
0.000 |
Average: |
244.3 |
0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
10 |
44 |
|
D |
27 |
10 |
6899 |
◊ |
M |
-y,x-y-1,z |
2_545 |
25 |
7 |
16615 |
249.1 |
-2.3 |
0.438 |
1 |
0 |
0 |
0.000 |
11 |
45 |
|
W |
30 |
10 |
6987 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
16789 |
242.1 |
1.4 |
0.754 |
4 |
1 |
0 |
0.000 |
46 |
|
G |
27 |
12 |
6803 |
◊ |
Q |
x,y,z |
1_555 |
25 |
8 |
16612 |
216.7 |
0.8 |
0.730 |
3 |
3 |
0 |
0.000 |
Average: |
229.4 |
1.1 |
0.742 |
4 |
2 |
0 |
0.000 |
12 |
47 |
|
U |
29 |
8 |
16195 |
◊ |
X |
-y,x-y-1,z |
2_545 |
29 |
9 |
6834 |
240.8 |
0.8 |
0.756 |
2 |
0 |
0 |
0.000 |
48 |
|
H |
20 |
8 |
7020 |
◊ |
E |
-y,x-y,z |
2_555 |
31 |
10 |
16785 |
222.7 |
1.6 |
0.740 |
4 |
1 |
0 |
0.000 |
49 |
|
T |
18 |
8 |
7205 |
◊ |
Q |
-y,x-y-1,z |
2_545 |
35 |
9 |
16612 |
212.4 |
1.1 |
0.710 |
2 |
0 |
0 |
0.000 |
50 |
|
L |
21 |
9 |
7130 |
◊ |
I |
-y+1,x-y,z |
2_655 |
33 |
8 |
16155 |
200.9 |
1.3 |
0.766 |
3 |
1 |
0 |
0.000 |
51 |
|
M |
22 |
6 |
16615 |
◊ |
P |
-y+1,x-y,z |
2_655 |
22 |
6 |
6983 |
197.5 |
-0.4 |
0.616 |
3 |
0 |
0 |
0.000 |
52 |
|
A |
27 |
9 |
16789 |
◊ |
D |
-y,x-y,z |
2_555 |
19 |
6 |
6899 |
190.2 |
-1.2 |
0.330 |
2 |
1 |
0 |
0.000 |
Average: |
210.7 |
0.5 |
0.653 |
3 |
1 |
0 |
0.000 |
13 |
53 |
|
I |
20 |
6 |
16155 |
◊ |
T |
-y,x-y,z |
2_555 |
27 |
9 |
7205 |
203.5 |
-2.2 |
0.434 |
1 |
0 |
0 |
0.000 |
14 |
54 |
|
X |
25 |
9 |
6834 |
◊ |
P |
x,y,z |
1_555 |
23 |
10 |
6983 |
185.8 |
-2.0 |
0.470 |
0 |
0 |
0 |
0.000 |
15 |
55 |
|
L |
16 |
6 |
7130 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
6803 |
163.3 |
-0.4 |
0.573 |
1 |
1 |
0 |
0.000 |
16 |
56 |
|
S |
21 |
8 |
6933 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
7 |
6788 |
156.9 |
2.0 |
0.805 |
3 |
0 |
0 |
0.000 |
17 |
57 |
|
W |
19 |
5 |
6987 |
◊ |
O |
x,y,z |
1_555 |
15 |
5 |
6948 |
149.9 |
1.9 |
0.765 |
1 |
2 |
0 |
0.000 |
18 |
58 |
|
P |
14 |
5 |
6983 |
◊ |
W |
x,y,z |
1_555 |
18 |
8 |
6987 |
141.6 |
-2.3 |
0.283 |
0 |
0 |
0 |
0.000 |
19 |
59 |
|
T |
10 |
5 |
7205 |
◊ |
V |
x,y,z |
1_555 |
11 |
4 |
1409 |
99.9 |
-1.6 |
0.507 |
0 |
0 |
0 |
0.000 |
60 |
|
H |
13 |
6 |
7020 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
1359 |
91.4 |
-1.9 |
0.477 |
0 |
0 |
0 |
0.000 |
61 |
|
N |
10 |
3 |
1431 |
◊ |
L |
-y+1,x-y,z |
2_655 |
9 |
6 |
7130 |
88.2 |
-1.7 |
0.487 |
0 |
0 |
0 |
0.000 |
62 |
|
P |
11 |
6 |
6983 |
◊ |
J |
-y+1,x-y,z |
2_655 |
10 |
3 |
1411 |
83.7 |
-1.3 |
0.590 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
14 |
6 |
6899 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
1421 |
82.5 |
-1.0 |
0.689 |
0 |
0 |
0 |
0.000 |
64 |
|
X |
11 |
5 |
6834 |
◊ |
R |
x,y,z |
1_555 |
9 |
2 |
1380 |
78.1 |
-1.1 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
87.3 |
-1.4 |
0.559 |
0 |
0 |
0 |
0.000 |
20 |
65 |
|
S |
15 |
4 |
6933 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
6803 |
89.5 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
66 |
|
W |
6 |
3 |
6987 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
6788 |
61.4 |
0.4 |
0.674 |
1 |
0 |
0 |
0.000 |
Average: |
75.5 |
0.4 |
0.678 |
1 |
0 |
0 |
0.000 |
21 |
67 |
|
X |
7 |
3 |
6834 |
◊ |
I |
-y+1,x-y,z |
2_655 |
6 |
3 |
16155 |
60.7 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
22 |
68 |
|
U |
8 |
3 |
16195 |
◊ |
Q |
x,y,z |
1_555 |
6 |
2 |
16612 |
50.9 |
1.1 |
0.824 |
0 |
0 |
0 |
0.000 |
69 |
|
M |
6 |
2 |
16615 |
◊ |
I |
-y+1,x-y,z |
2_655 |
5 |
1 |
16155 |
37.8 |
1.1 |
0.859 |
0 |
0 |
0 |
0.000 |
70 |
|
E |
6 |
2 |
16785 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
16789 |
37.5 |
0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
42.0 |
0.8 |
0.793 |
0 |
0 |
0 |
0.000 |
23 |
71 |
|
U |
4 |
1 |
16195 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
16789 |
35.7 |
1.3 |
0.865 |
0 |
0 |
0 |
0.000 |
24 |
72 |
|
E |
7 |
4 |
16785 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
16789 |
34.4 |
-0.2 |
0.575 |
0 |
0 |
0 |
0.000 |
73 |
|
Q |
6 |
3 |
16612 |
◊ |
U |
x,y,z-1 |
1_554 |
3 |
3 |
16195 |
17.5 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
74 |
|
M |
1 |
1 |
16615 |
◊ |
I |
-y+1,x-y,z+1 |
2_656 |
1 |
1 |
16155 |
1.2 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
17.7 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
25 |
75 |
|
H |
2 |
1 |
7020 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
6987 |
14.9 |
0.5 |
0.858 |
0 |
0 |
0 |
0.000 |
26 |
76 |
|
X |
2 |
1 |
6834 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6948 |
10.7 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
27 |
77 |
|
D |
1 |
1 |
6899 |
◊ |
U |
x,y,z |
1_555 |
1 |
1 |
16195 |
7.8 |
0.2 |
0.831 |
0 |
0 |
0 |
0.000 |
78 |
|
T |
1 |
1 |
7205 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16785 |
7.8 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
Average: |
7.8 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
28 |
79 |
|
K |
2 |
1 |
6812 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6803 |
6.5 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
29 |
80 |
|
M |
1 |
1 |
16615 |
◊ |
J |
-y+1,x-y,z |
2_655 |
1 |
1 |
1411 |
3.0 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
81 |
|
B |
1 |
1 |
1359 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
16785 |
2.9 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
82 |
|
V |
1 |
1 |
1409 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
16612 |
0.7 |
0.0 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
2.2 |
0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
30 |
83 |
|
L |
2 |
1 |
7130 |
◊ |
D |
-y,x-y,z |
2_555 |
2 |
2 |
6899 |
2.2 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
|