3QJN
structural flexibility of shank pdz domain is important for its binding to different ligands
Total interactions analyzed 120
Total true interactions 21
Strongest Interaction Chains H-P
Int. Res. 38
Norm. En. per Res. -5.476
Hub Node E(4)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -36.47 -4.6309 -98.1757 -139.2766 55 7 5 5024 0 14 11
A-C 0.0 0.0 -52.0665 -52.0665 34 10 1 2725 0 8 6
A-I -62.8434 1.937 -113.198 -174.1044 38 11 4 4237 0 6 5
B-C 0.0 0.0 -0.0098 -0.0098 2 0 0 2 0 0 1
B-D 0.0 36.5442 -42.1486 -5.6044 49 3 0 1951 0 17 12
B-J -67.3889 -3.0858 -120.479 -190.9537 36 9 4 4262 1 6 4
C-D -43.9221 -4.5339 -110.168 -158.624 51 6 5 4953 0 14 10
C-K -77.4878 -1.4585 -122.491 -201.4373 38 7 4 4301 0 7 3
D-E 0.0 0.0 -52.8015 -52.8015 38 5 0 2735 0 0 1
D-F 0.0 0.0 -0.041 -0.041 3 0 0 16 0 0 0
D-L -63.3178 -12.891 -124.626 -200.8347 38 13 5 4263 1 6 4
E-F -43.1813 -9.8801 -92.9096 -145.971 55 12 4 5321 1 15 10
E-G 0.0 35.7481 -41.5741 -5.826 45 2 0 1831 0 12 13
E-H 0.0 0.0 -0.0078 -0.0078 2 0 0 1 0 0 1
E-M -65.6173 -0.314 -121.585 -187.5163 38 11 4 4338 2 7 4
F-G 0.0 0.0 -0.003 -0.003 2 0 0 3 0 0 0
F-H 0.0 0.0 -46.3672 -46.3672 32 1 0 2456 0 7 6
F-N -69.1979 11.5217 -121.238 -178.9142 38 13 5 4295 0 7 5
G-H -38.1065 -12.1441 -116.49 -166.7406 57 6 4 5589 0 15 8
G-O -79.8606 -9.302 -116.6 -205.7626 38 15 5 4344 1 7 4
H-P -67.5793 -9.1174 -131.391 -208.0877 38 8 5 4406 2 7 4