| ## |
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 |
|
K |
93 |
24 |
7025 |
◊ |
E |
x,y,z |
1_555 |
95 |
25 |
7114 |
975.6 |
-5.5 |
0.378 |
13 |
0 |
0 |
0.791 |
2 |
|
F |
101 |
24 |
6910 |
◊ |
B |
x,y,z |
1_555 |
97 |
24 |
7100 |
969.1 |
-6.1 |
0.332 |
12 |
0 |
0 |
0.791 |
3 |
|
U |
98 |
23 |
7111 |
◊ |
P |
x,y,z |
1_555 |
95 |
23 |
7066 |
968.6 |
-5.5 |
0.392 |
11 |
0 |
0 |
0.791 |
4 |
|
X |
94 |
24 |
6962 |
◊ |
V |
x,y,z |
1_555 |
96 |
25 |
7127 |
966.4 |
-5.6 |
0.372 |
12 |
0 |
0 |
0.791 |
5 |
|
G |
102 |
26 |
7074 |
◊ |
A |
x,y,z |
1_555 |
96 |
24 |
7041 |
962.7 |
-5.3 |
0.379 |
13 |
0 |
0 |
0.791 |
6 |
|
H |
103 |
24 |
7067 |
◊ |
C |
x,y,z |
1_555 |
98 |
22 |
7020 |
957.6 |
-5.9 |
0.348 |
10 |
0 |
0 |
0.791 |
7 |
|
L |
95 |
24 |
6926 |
◊ |
J |
x,y,z |
1_555 |
97 |
24 |
7044 |
956.4 |
-5.6 |
0.340 |
12 |
0 |
0 |
0.791 |
8 |
|
I |
99 |
23 |
6997 |
◊ |
D |
x,y,z |
1_555 |
98 |
24 |
6933 |
954.7 |
-6.4 |
0.259 |
10 |
0 |
0 |
0.791 |
9 |
|
T |
98 |
23 |
7032 |
◊ |
O |
x,y,z |
1_555 |
92 |
23 |
7072 |
954.5 |
-7.0 |
0.284 |
12 |
0 |
0 |
0.791 |
10 |
|
S |
101 |
24 |
6990 |
◊ |
M |
x,y,z |
1_555 |
99 |
23 |
7090 |
953.8 |
-6.8 |
0.290 |
13 |
0 |
0 |
0.791 |
11 |
|
R |
101 |
25 |
6807 |
◊ |
N |
x,y,z |
1_555 |
98 |
24 |
7026 |
951.5 |
-6.1 |
0.320 |
12 |
0 |
0 |
0.791 |
12 |
|
W |
99 |
25 |
6906 |
◊ |
Q |
x,y,z |
1_555 |
95 |
24 |
7130 |
948.2 |
-5.5 |
0.397 |
15 |
0 |
0 |
0.791 |
| Average: |
959.9 |
-5.9 |
0.341 |
12 |
0 |
0 |
0.791 |
| 2 |
13 |
|
J |
60 |
17 |
7044 |
◊ |
I |
x,y,z |
1_555 |
69 |
19 |
6997 |
629.6 |
-1.0 |
0.573 |
10 |
14 |
0 |
0.514 |
14 |
|
X |
65 |
19 |
6962 |
◊ |
M |
x,y,z |
1_555 |
60 |
17 |
7090 |
622.3 |
0.0 |
0.671 |
11 |
14 |
0 |
0.514 |
15 |
|
G |
60 |
18 |
7074 |
◊ |
F |
x,y,z |
1_555 |
71 |
19 |
6910 |
616.2 |
-0.7 |
0.594 |
10 |
13 |
0 |
0.514 |
16 |
|
Q |
68 |
19 |
7130 |
◊ |
N |
x,y,z |
1_555 |
59 |
17 |
7026 |
614.3 |
-0.2 |
0.651 |
11 |
13 |
0 |
0.514 |
17 |
|
V |
63 |
16 |
7127 |
◊ |
U |
x,y,z |
1_555 |
68 |
19 |
7111 |
613.3 |
-0.1 |
0.672 |
10 |
14 |
0 |
0.514 |
18 |
|
U |
61 |
17 |
7111 |
◊ |
T |
x,y,z |
1_555 |
69 |
20 |
7032 |
611.9 |
-0.1 |
0.648 |
10 |
15 |
0 |
0.514 |
19 |
|
S |
63 |
18 |
6990 |
◊ |
R |
x,y,z |
1_555 |
68 |
18 |
6807 |
610.0 |
-0.8 |
0.631 |
9 |
13 |
0 |
0.514 |
20 |
|
V |
65 |
18 |
7127 |
◊ |
T |
x,y,z |
1_555 |
59 |
18 |
7032 |
609.6 |
-0.1 |
0.654 |
10 |
10 |
0 |
0.514 |
21 |
|
E |
67 |
18 |
7114 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
7100 |
605.0 |
0.5 |
0.702 |
12 |
15 |
0 |
0.514 |
22 |
|
I |
60 |
18 |
6997 |
◊ |
H |
x,y,z |
1_555 |
63 |
19 |
7067 |
597.4 |
-0.1 |
0.641 |
11 |
13 |
0 |
0.514 |
23 |
|
E |
57 |
17 |
7114 |
◊ |
C |
x,y,z |
1_555 |
68 |
19 |
7020 |
594.6 |
-0.7 |
0.601 |
11 |
12 |
0 |
0.514 |
24 |
|
L |
57 |
17 |
6926 |
◊ |
K |
x,y,z |
1_555 |
68 |
17 |
7025 |
594.0 |
0.6 |
0.743 |
11 |
18 |
0 |
0.514 |
25 |
|
O |
59 |
18 |
7072 |
◊ |
N |
x,y,z |
1_555 |
66 |
18 |
7026 |
594.0 |
-0.1 |
0.670 |
13 |
18 |
0 |
0.514 |
26 |
|
G |
63 |
17 |
7074 |
◊ |
D |
x,y,z |
1_555 |
57 |
17 |
6933 |
576.7 |
-1.8 |
0.485 |
9 |
14 |
0 |
0.514 |
27 |
|
S |
62 |
17 |
6990 |
◊ |
P |
x,y,z |
1_555 |
57 |
16 |
7066 |
573.5 |
-2.0 |
0.528 |
14 |
19 |
0 |
0.514 |
28 |
|
K |
54 |
17 |
7025 |
◊ |
A |
x,y,z |
1_555 |
60 |
16 |
7041 |
571.7 |
0.0 |
0.712 |
10 |
16 |
0 |
0.514 |
29 |
|
X |
58 |
16 |
6962 |
◊ |
W |
x,y,z |
1_555 |
61 |
16 |
6906 |
567.3 |
-1.1 |
0.636 |
9 |
15 |
0 |
0.514 |
30 |
|
W |
52 |
18 |
6906 |
◊ |
M |
x,y,z |
1_555 |
65 |
18 |
7090 |
564.3 |
-0.7 |
0.619 |
10 |
12 |
0 |
0.514 |
31 |
|
J |
59 |
16 |
7044 |
◊ |
H |
x,y,z |
1_555 |
60 |
16 |
7067 |
562.3 |
-1.4 |
0.571 |
11 |
17 |
0 |
0.514 |
32 |
|
Q |
53 |
17 |
7130 |
◊ |
O |
x,y,z |
1_555 |
59 |
16 |
7072 |
557.7 |
-0.3 |
0.650 |
12 |
15 |
0 |
0.514 |
33 |
|
C |
56 |
16 |
7020 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
7100 |
548.0 |
-1.1 |
0.576 |
10 |
14 |
0 |
0.514 |
34 |
|
L |
56 |
17 |
6926 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
7041 |
547.7 |
-1.0 |
0.615 |
9 |
13 |
0 |
0.514 |
35 |
|
R |
51 |
16 |
6807 |
◊ |
P |
x,y,z |
1_555 |
56 |
16 |
7066 |
545.8 |
0.7 |
0.735 |
10 |
14 |
0 |
0.514 |
36 |
|
F |
54 |
16 |
6910 |
◊ |
D |
x,y,z |
1_555 |
56 |
16 |
6933 |
543.4 |
-1.1 |
0.567 |
10 |
14 |
0 |
0.514 |
| Average: |
586.3 |
-0.5 |
0.631 |
11 |
14 |
0 |
0.514 |
| 3 |
37 |
|
[N87]M:147 |
25 |
1 |
546 |
f |
M |
x,y,z |
1_555 |
56 |
20 |
7090 |
348.8 |
2.0 |
0.450 |
8 |
0 |
0 |
0.214 |
38 |
|
[N87]S:147 |
25 |
1 |
547 |
f |
S |
x,y,z |
1_555 |
55 |
19 |
6990 |
346.6 |
1.8 |
0.453 |
8 |
0 |
0 |
0.214 |
39 |
|
[N87]I:147 |
25 |
1 |
547 |
f |
I |
x,y,z |
1_555 |
57 |
20 |
6997 |
346.1 |
1.6 |
0.407 |
8 |
0 |
0 |
0.214 |
40 |
|
[N87]W:147 |
25 |
1 |
551 |
f |
W |
x,y,z |
1_555 |
54 |
20 |
6906 |
345.0 |
2.2 |
0.489 |
8 |
0 |
0 |
0.214 |
41 |
|
[N87]V:147 |
25 |
1 |
546 |
f |
V |
x,y,z |
1_555 |
53 |
19 |
7127 |
344.7 |
1.3 |
0.389 |
9 |
0 |
0 |
0.214 |
42 |
|
[N87]N:147 |
26 |
1 |
553 |
f |
N |
x,y,z |
1_555 |
49 |
18 |
7026 |
344.7 |
2.2 |
0.464 |
8 |
0 |
0 |
0.214 |
43 |
|
[N87]L:147 |
25 |
1 |
548 |
f |
L |
x,y,z |
1_555 |
51 |
17 |
6926 |
343.3 |
2.0 |
0.441 |
8 |
0 |
0 |
0.214 |
44 |
|
[N87]A:147 |
25 |
1 |
548 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
7041 |
343.3 |
1.8 |
0.449 |
7 |
0 |
0 |
0.214 |
45 |
|
[N87]K:147 |
25 |
1 |
551 |
f |
K |
x,y,z |
1_555 |
47 |
19 |
7025 |
341.9 |
1.0 |
0.393 |
10 |
0 |
0 |
0.214 |
46 |
|
[N87]O:147 |
25 |
1 |
552 |
f |
O |
x,y,z |
1_555 |
46 |
17 |
7072 |
338.9 |
1.7 |
0.425 |
8 |
0 |
0 |
0.214 |
47 |
|
[N87]B:147 |
25 |
1 |
545 |
f |
B |
x,y,z |
1_555 |
55 |
18 |
7100 |
337.7 |
2.0 |
0.454 |
8 |
0 |
0 |
0.214 |
48 |
|
[N87]Q:147 |
25 |
1 |
546 |
f |
Q |
x,y,z |
1_555 |
51 |
20 |
7130 |
336.8 |
1.7 |
0.415 |
8 |
0 |
0 |
0.214 |
49 |
|
[N87]D:147 |
25 |
1 |
553 |
f |
D |
x,y,z |
1_555 |
50 |
19 |
6933 |
334.7 |
2.1 |
0.450 |
8 |
0 |
0 |
0.214 |
50 |
|
[N87]J:147 |
24 |
1 |
550 |
f |
J |
x,y,z |
1_555 |
53 |
20 |
7044 |
334.5 |
1.9 |
0.436 |
9 |
0 |
0 |
0.214 |
51 |
|
[N87]R:147 |
25 |
1 |
545 |
f |
R |
x,y,z |
1_555 |
50 |
19 |
6807 |
334.2 |
1.4 |
0.393 |
7 |
0 |
0 |
0.214 |
52 |
|
[N87]P:147 |
25 |
1 |
549 |
f |
P |
x,y,z |
1_555 |
53 |
16 |
7066 |
332.6 |
1.6 |
0.433 |
8 |
0 |
0 |
0.214 |
53 |
|
[N87]F:147 |
25 |
1 |
550 |
f |
F |
x,y,z |
1_555 |
47 |
19 |
6910 |
332.5 |
1.7 |
0.414 |
8 |
0 |
0 |
0.214 |
54 |
|
[N87]H:147 |
24 |
1 |
549 |
f |
H |
x,y,z |
1_555 |
49 |
16 |
7067 |
328.8 |
1.6 |
0.419 |
8 |
0 |
0 |
0.214 |
55 |
|
[N87]T:147 |
25 |
1 |
548 |
f |
T |
x,y,z |
1_555 |
50 |
18 |
7032 |
328.4 |
1.6 |
0.430 |
7 |
0 |
0 |
0.214 |
56 |
|
[N87]X:147 |
24 |
1 |
551 |
f |
X |
x,y,z |
1_555 |
48 |
18 |
6962 |
325.7 |
1.8 |
0.436 |
8 |
0 |
0 |
0.214 |
| Average: |
338.5 |
1.7 |
0.432 |
8 |
0 |
0 |
0.214 |
| 4 |
57 |
|
[N87]G:147 |
26 |
1 |
545 |
f |
G |
x,y,z |
1_555 |
56 |
20 |
7074 |
348.2 |
1.7 |
0.414 |
8 |
0 |
0 |
0.100 |
58 |
|
[N87]C:147 |
25 |
1 |
547 |
f |
C |
x,y,z |
1_555 |
57 |
19 |
7020 |
344.7 |
1.5 |
0.409 |
9 |
0 |
0 |
0.100 |
59 |
|
[N87]U:147 |
26 |
1 |
548 |
f |
U |
x,y,z |
1_555 |
52 |
19 |
7111 |
342.8 |
2.0 |
0.465 |
9 |
0 |
0 |
0.100 |
| Average: |
345.3 |
1.7 |
0.429 |
9 |
0 |
0 |
0.100 |
| 5 |
60 |
|
[N87]E:147 |
24 |
1 |
543 |
f |
E |
x,y,z |
1_555 |
57 |
20 |
7114 |
345.1 |
1.0 |
0.381 |
10 |
0 |
0 |
0.100 |
| 6 |
61 |
|
P |
24 |
8 |
7066 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
10 |
7100 |
259.2 |
1.0 |
0.609 |
3 |
4 |
0 |
0.000 |
62 |
|
T |
31 |
10 |
7032 |
◊ |
H |
x,y-1,z |
1_545 |
23 |
8 |
7067 |
248.2 |
0.5 |
0.546 |
5 |
4 |
0 |
0.000 |
| Average: |
253.7 |
0.7 |
0.578 |
4 |
4 |
0 |
0.000 |
| 7 |
63 |
|
S |
22 |
7 |
6990 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
7 |
7100 |
188.4 |
-0.6 |
0.536 |
2 |
1 |
0 |
0.000 |
64 |
|
T |
24 |
6 |
7032 |
◊ |
J |
x,y-1,z |
1_545 |
18 |
6 |
7044 |
173.4 |
-0.7 |
0.506 |
2 |
1 |
0 |
0.000 |
| Average: |
180.9 |
-0.6 |
0.521 |
2 |
1 |
0 |
0.000 |
| 8 |
65 |
|
Q |
15 |
5 |
7130 |
◊ |
I |
x-1,y-1,z |
1_445 |
21 |
8 |
6997 |
155.8 |
1.1 |
0.743 |
1 |
0 |
0 |
0.000 |
66 |
|
R |
17 |
6 |
6807 |
◊ |
G |
x-1,y,z-1 |
1_454 |
10 |
4 |
7074 |
132.2 |
-0.8 |
0.441 |
0 |
0 |
0 |
0.000 |
| Average: |
144.0 |
0.2 |
0.592 |
1 |
0 |
0 |
0.000 |
| 9 |
67 |
|
[N87]D:147 |
15 |
1 |
553 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
7074 |
121.7 |
1.2 |
0.455 |
0 |
0 |
0 |
0.000 |
68 |
|
[N87]T:147 |
14 |
1 |
548 |
◊ |
V |
x,y,z |
1_555 |
16 |
4 |
7127 |
117.3 |
1.1 |
0.457 |
0 |
0 |
0 |
0.000 |
69 |
|
[N87]F:147 |
15 |
1 |
550 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
6933 |
115.8 |
0.9 |
0.413 |
0 |
0 |
0 |
0.000 |
70 |
|
[N87]W:147 |
17 |
1 |
551 |
◊ |
M |
x,y,z |
1_555 |
16 |
4 |
7090 |
114.6 |
0.7 |
0.371 |
0 |
0 |
0 |
0.000 |
71 |
|
[N87]J:147 |
14 |
1 |
550 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
6997 |
113.3 |
0.6 |
0.368 |
0 |
0 |
0 |
0.000 |
72 |
|
[N87]K:147 |
16 |
1 |
551 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
7041 |
112.5 |
0.5 |
0.365 |
0 |
0 |
0 |
0.000 |
73 |
|
[N87]H:147 |
16 |
1 |
549 |
◊ |
J |
x,y,z |
1_555 |
15 |
4 |
7044 |
112.4 |
0.8 |
0.368 |
0 |
0 |
0 |
0.000 |
74 |
|
[N87]A:147 |
17 |
1 |
548 |
◊ |
L |
x,y,z |
1_555 |
16 |
4 |
6926 |
111.4 |
0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
75 |
|
[N87]B:147 |
17 |
1 |
545 |
◊ |
E |
x,y,z |
1_555 |
16 |
4 |
7114 |
111.4 |
0.6 |
0.357 |
0 |
0 |
0 |
0.000 |
76 |
|
[N87]X:147 |
17 |
1 |
551 |
◊ |
W |
x,y,z |
1_555 |
17 |
6 |
6906 |
111.3 |
0.5 |
0.325 |
0 |
0 |
0 |
0.000 |
77 |
|
[N87]O:147 |
15 |
1 |
552 |
◊ |
N |
x,y,z |
1_555 |
16 |
4 |
7026 |
111.3 |
0.5 |
0.364 |
0 |
0 |
0 |
0.000 |
78 |
|
[N87]N:147 |
15 |
1 |
553 |
◊ |
Q |
x,y,z |
1_555 |
17 |
5 |
7130 |
110.9 |
0.7 |
0.407 |
0 |
0 |
0 |
0.000 |
79 |
|
[N87]R:147 |
16 |
1 |
545 |
◊ |
P |
x,y,z |
1_555 |
17 |
4 |
7066 |
110.6 |
0.6 |
0.385 |
0 |
0 |
0 |
0.000 |
80 |
|
[N87]P:147 |
15 |
1 |
549 |
◊ |
S |
x,y,z |
1_555 |
15 |
4 |
6990 |
110.5 |
0.6 |
0.375 |
0 |
0 |
0 |
0.000 |
81 |
|
[N87]L:147 |
17 |
1 |
548 |
◊ |
K |
x,y,z |
1_555 |
18 |
5 |
7025 |
109.9 |
0.3 |
0.332 |
0 |
0 |
0 |
0.000 |
82 |
|
[N87]M:147 |
14 |
1 |
546 |
◊ |
X |
x,y,z |
1_555 |
19 |
5 |
6962 |
109.5 |
0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
83 |
|
[N87]I:147 |
15 |
1 |
547 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
7067 |
107.1 |
0.6 |
0.401 |
0 |
0 |
0 |
0.000 |
84 |
|
[N87]U:147 |
15 |
1 |
548 |
◊ |
T |
x,y,z |
1_555 |
17 |
6 |
7032 |
106.7 |
0.5 |
0.381 |
0 |
0 |
0 |
0.000 |
85 |
|
[N87]Q:147 |
13 |
1 |
546 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
7072 |
105.6 |
0.2 |
0.355 |
0 |
0 |
0 |
0.000 |
86 |
|
[N87]S:147 |
15 |
1 |
547 |
◊ |
R |
x,y,z |
1_555 |
17 |
4 |
6807 |
104.5 |
0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
87 |
|
[N87]E:147 |
12 |
1 |
543 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
7020 |
102.1 |
0.6 |
0.414 |
0 |
0 |
0 |
0.000 |
88 |
|
[N87]C:147 |
14 |
1 |
547 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
7100 |
102.0 |
0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
| Average: |
110.6 |
0.6 |
0.377 |
0 |
0 |
0 |
0.000 |
| 10 |
89 |
|
Q |
15 |
8 |
7130 |
◊ |
J |
x-1,y-1,z |
1_445 |
15 |
6 |
7044 |
117.3 |
3.4 |
0.928 |
4 |
6 |
0 |
0.000 |
90 |
|
S |
11 |
5 |
6990 |
◊ |
G |
x-1,y,z-1 |
1_454 |
15 |
8 |
7074 |
109.4 |
2.6 |
0.884 |
4 |
6 |
0 |
0.000 |
| Average: |
113.3 |
3.0 |
0.906 |
4 |
6 |
0 |
0.000 |
| 11 |
91 |
|
[N87]V:147 |
14 |
1 |
546 |
◊ |
U |
x,y,z |
1_555 |
19 |
6 |
7111 |
110.3 |
0.5 |
0.386 |
0 |
0 |
0 |
0.000 |
92 |
|
[N87]G:147 |
15 |
1 |
545 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
6910 |
98.2 |
0.3 |
0.352 |
0 |
0 |
0 |
0.000 |
| Average: |
104.2 |
0.4 |
0.369 |
0 |
0 |
0 |
0.000 |
| 12 |
93 |
|
M |
6 |
2 |
7090 |
◊ |
L |
x-1,y,z |
1_455 |
5 |
2 |
6926 |
26.4 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
| 13 |
94 |
|
U |
2 |
1 |
7111 |
◊ |
G |
x,y,z-1 |
1_554 |
4 |
2 |
7074 |
26.1 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
95 |
|
Q |
2 |
1 |
7130 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
7020 |
9.7 |
-0.3 |
0.262 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
| 14 |
96 |
|
P |
1 |
1 |
7066 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
7114 |
10.4 |
0.0 |
0.422 |
0 |
0 |
0 |
0.000 |
97 |
|
V |
1 |
1 |
7127 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
7067 |
9.5 |
0.0 |
0.418 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
0.0 |
0.420 |
0 |
0 |
0 |
0.000 |
| 15 |
98 |
|
X |
2 |
1 |
6962 |
◊ |
K |
x,y,z |
1_555 |
2 |
2 |
7025 |
6.2 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 16 |
99 |
|
N |
1 |
1 |
7026 |
◊ |
M |
x,y-1,z |
1_545 |
1 |
1 |
7090 |
3.0 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
|