3DBH
structural dissection of a gating mechanism preventing misactivation of ubiquitin by nedd8's e1 (appbp1- uba3arg190ala-nedd8ala72arg)
Total interactions analyzed 66
Total true interactions 20
Strongest Interaction Chains F-K
Int. Res. 118
Norm. En. per Res. -4.3888
Hub Node C(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 -120.9106 -158.6317 -1009.43 -1288.9722 318 62 16 41277 16 79 73
A-I -6.4189 -12.7759 -92.8674 -112.0621 59 1 0 3409 2 28 32
A-E -5.1018 -25.6137 -38.1019 -68.8174 31 7 0 1852 1 30 15
B-I -88.7888 -50.8809 -398.853 -538.5227 124 31 6 15159 4 26 22
B-D -33.1466 -63.9046 -163.969 -261.0202 101 6 3 6804 2 37 41
B-E -25.907 -18.9671 -105.553 -150.4271 74 8 0 4871 4 17 14
B-F 0.0 2.6517 -28.6862 -26.0344 25 1 0 1138 0 11 8
C-D -114.5434 -134.2658 -1000.27 -1249.0792 319 63 15 41186 16 81 76
C-J -31.1467 -17.9977 -105.233 -154.3774 58 12 0 3894 3 29 30
C-G 0.0 -2.1395 -22.0209 -24.1604 23 0 0 1004 1 25 13
C-H -2.2893 19.7794 -58.6205 -41.1304 63 8 0 3558 0 15 12
D-J -49.2112 -48.5444 -377.418 -475.1736 121 30 6 14690 2 28 24
D-H 0.0 3.2697 -18.9264 -15.6567 25 0 0 969 0 11 8
E-F -134.9685 -91.183 -1028.32 -1254.4715 322 88 16 41815 12 82 75
E-K -5.2436 -0.9615 -93.1481 -99.3532 57 5 0 3211 0 28 30
F-K -67.2112 -50.462 -400.2 -517.8732 118 28 6 14811 4 28 24
F-H -24.2923 -93.108 -147.677 -265.0773 102 6 3 6277 8 35 37
G-H -121.5854 -102.1352 -1007.41 -1231.1306 318 77 18 41125 12 79 75
G-L -17.3025 -14.7872 -88.0262 -120.116 61 6 0 3531 2 28 28
H-L -62.3145 -34.3045 -353.774 -450.3929 120 29 6 14682 2 28 23