name Intraclash total energy Backbone Hbond Sidechain Hbond Van der Waals Electrostatics Solvation Polar Solvation Hydrophobic Van de Waals clashes entropy side chain entropy main chain sloop_entropy mloop_entropy cis_bond torsional clash backbone clash helix dipole water bridge disulfide electrostatic Kon partial covalent bonds 1_1SHC2.PDB 13.56290000 -16.29492640 -8.36250000 -8.90000000 -15.14713517 -0.18221822 16.63845034 -21.30273625 3.36329733 5.80359489 9.64073267 0.00000000 0.00000000 0.00000000 2.00584139 2.10293073 0.00446736 0.02832057 0.00000000 0.11495869 0.00000000 2.38400000 207.00000000 2_1SHC2.PDB 13.24860000 -14.25319038 -8.36250000 -9.20000000 -15.53620642 -0.24946526 17.28849555 -21.71918308 5.17953522 5.46974367 10.50892729 0.00000000 0.00000000 0.00000000 2.25854763 2.10180656 0.00446736 -0.00260712 0.00000000 0.10705480 0.00000000 2.38400000 207.00000000 3_1SHC2.PDB 12.94150000 -13.99159119 -8.36250000 -7.42500000 -14.21329034 0.04270198 16.45914681 -19.54144579 2.42385274 4.78972553 9.60722795 0.00000000 0.00000000 0.00000000 2.04700112 2.09323667 0.00446736 0.06168446 0.00000000 0.11483699 0.00000000 2.38400000 207.00000000 4_1SHC2.PDB 14.75490000 -16.25267742 -8.36250000 -7.42500000 -15.55893152 -0.01778890 16.88731279 -22.42419101 3.36527217 5.49435290 9.64618981 0.00000000 0.00000000 0.00000000 2.07765641 2.11152535 0.00446736 -0.02700243 0.00000000 0.08748501 0.00000000 2.38400000 207.00000000 5_1SHC2.PDB 15.63190000 -14.67479084 -8.40000000 -8.90000000 -15.23949046 -0.21961874 17.35809609 -21.39190822 2.96829995 5.23574415 12.04302499 0.00000000 0.00000000 0.00000000 1.91228602 2.09556745 0.00446736 -0.16336100 0.00000000 0.11766903 0.00000000 2.38400000 207.00000000 6_1SHC2.PDB 12.91600000 -15.07890305 -7.91250000 -8.75000000 -14.17508726 -0.20362079 15.04869726 -19.99482884 3.00461831 5.60418336 10.24398932 0.00000000 0.00000000 0.00000000 1.85269041 2.09720026 0.00446736 0.08558648 0.00000000 0.11290134 0.00000000 2.38400000 207.00000000 7_1SHC2.PDB 12.79900000 -15.14808263 -7.47500000 -8.35000000 -14.48910853 -0.16569653 16.11732714 -20.28774156 2.41098343 5.48719786 9.57713344 0.00000000 0.00000000 0.00000000 1.88254660 2.07716098 0.00446736 0.03426257 0.00000000 0.10554557 0.00000000 2.38400000 207.00000000 8_1SHC2.PDB 12.57200000 -14.90502571 -8.36250000 -9.20000000 -13.95202676 0.03143258 16.20976255 -19.19422265 2.46600669 5.47324430 9.58976651 0.00000000 0.00000000 0.00000000 1.97000055 2.11737650 0.00446736 -0.03475987 0.00000000 0.09380303 0.00000000 2.38400000 207.00000000 9_1SHC2.PDB 12.76490000 -14.91127009 -8.36250000 -7.42500000 -14.82367917 0.02049663 16.60296496 -21.07137416 2.94000722 4.98914557 10.18104444 0.00000000 0.00000000 0.00000000 1.88876555 2.09222273 0.00446736 0.05921528 0.00000000 0.08517623 0.00000000 2.38400000 207.00000000 10_1SHC2.PDB 13.02960000 -15.32942404 -8.36250000 -9.20000000 -14.62022059 -0.22834371 16.75647290 -20.22024881 2.73720487 5.41734603 10.29294126 0.00000000 0.00000000 0.00000000 1.90221793 2.10071173 0.00446736 0.06738409 0.00000000 0.12385463 0.00000000 2.38400000 207.00000000 11_1SHC2.PDB 15.41340000 -14.65233044 -7.51250000 -8.05000000 -15.02092061 -0.20392202 17.05432573 -21.11184386 2.39748858 5.22772195 10.81702887 0.00000000 0.00000000 0.00000000 1.82258792 2.06915642 0.00446736 -0.17728107 0.00000000 0.10051671 0.00000000 2.38400000 207.00000000 12_1SHC2.PDB 12.74610000 -15.15485960 -7.91250000 -8.75000000 -13.94326509 -0.19246636 14.86946451 -19.60586512 2.81596234 5.60172413 9.97352018 0.00000000 0.00000000 0.00000000 1.83720938 2.07143452 0.00502014 0.02074239 0.00000000 0.12559391 0.00000000 2.38400000 207.00000000 13_1SHC2.PDB 12.85200000 -14.85536071 -8.36250000 -9.20000000 -14.34729822 -0.18463807 16.66049709 -19.55354098 2.74203999 5.34206324 9.96866395 0.00000000 0.00000000 0.00000000 1.94106557 2.10532079 0.00446736 0.03310270 0.00000000 0.10071665 0.00000000 2.38400000 207.00000000 14_1SHC2.PDB 12.86260000 -15.64685889 -8.36250000 -9.20000000 -14.24120889 -0.15343902 15.97765118 -19.76780895 2.69068653 5.45995762 9.98017579 0.00000000 0.00000000 0.00000000 1.85832450 2.10157392 0.00504653 -0.00577788 0.00000000 0.11203369 0.00000000 2.38400000 207.00000000 15_1SHC2.PDB 14.42180000 -14.57143459 -8.40000000 -7.12500000 -15.54279414 0.01336759 17.24283073 -22.50019184 3.01927404 4.83334052 11.98097886 0.00000000 0.00000000 0.00000000 1.97755987 2.07691733 0.00446736 -0.16951072 0.00000000 0.09424314 0.00000000 2.38400000 207.00000000 16_1SHC2.PDB 12.83730000 -15.31020262 -7.91250000 -6.97500000 -14.76095749 0.00145441 15.21014404 -21.62989561 2.97705656 5.31218816 10.41083907 0.00000000 0.00000000 0.00000000 1.96038724 2.07585782 0.00446736 0.00766570 0.00000000 0.08394796 0.00000000 2.38400000 207.00000000 17_1SHC2.PDB 13.00540000 -15.00748288 -8.40000000 -8.90000000 -15.04600804 0.01858777 17.30234146 -21.07504757 2.56906240 5.43613226 11.07878113 0.00000000 0.00000000 0.00000000 2.15127306 2.09969277 0.00446736 -0.25332310 0.00000000 0.10625039 0.00000000 2.38400000 207.00000000 18_1SHC2.PDB 14.61820000 -16.51891579 -7.91250000 -8.75000000 -14.44162352 -0.00439023 15.04921675 -20.68678524 2.81152044 6.27811813 9.04082632 0.00000000 0.00000000 0.00000000 1.97100300 2.08833331 0.00446736 0.01947792 0.00000000 0.10175328 0.00000000 2.38400000 207.00000000 19_1SHC2.PDB 15.42940000 -16.96729442 -8.40000000 -10.60000000 -14.83517192 -1.26740468 18.31766891 -20.19776127 2.74029618 5.20005750 11.35240347 0.00000000 0.00000000 0.00000000 1.91668921 2.08796639 0.00446736 -0.60668816 0.00000000 -0.59185101 0.00000000 2.38400000 207.00000000 20_1SHC2.PDB 12.74330000 -14.10051287 -7.06250000 -5.82500000 -14.56434539 -0.12588349 14.64206580 -20.96626707 2.57225471 4.89077282 10.50440554 0.00000000 0.00000000 0.00000000 1.80951677 2.06532015 0.00446736 -0.09362427 0.00000000 0.11362436 0.00000000 2.38400000 207.00000000 21_1SHC2.PDB 13.27350000 -18.00986761 -8.36250000 -7.42500000 -15.69730034 0.06979152 16.21837120 -23.13936030 3.23557313 5.76783482 9.21391570 0.00000000 0.00000000 0.00000000 2.00464628 2.09412920 0.00446736 0.00573775 0.00000000 0.09395527 0.00000000 2.38400000 207.00000000 22_1SHC2.PDB 13.01780000 -17.79857680 -8.36250000 -7.42500000 -14.83560883 0.08062712 16.07819133 -21.06009965 1.86705611 5.44506708 8.26264038 0.00000000 0.00000000 0.00000000 2.07201458 2.11349514 0.00446736 -0.04686552 0.00000000 0.12143324 0.00000000 2.38400000 207.00000000 23_1SHC2.PDB 12.69390000 -14.91605710 -8.36250000 -9.20000000 -14.31888495 -0.19872293 16.66925599 -19.56674960 2.75944472 5.37094649 10.04116979 0.00000000 0.00000000 0.00000000 1.82166838 2.10851458 0.00446736 -0.03222643 0.00000000 0.09607409 0.00000000 2.38400000 207.00000000 24_1SHC2.PDB 12.81260000 -14.79842971 -6.62500000 -7.20000000 -14.72558074 -0.17293159 15.60324268 -20.96640385 2.40946272 5.30746144 9.73798386 0.00000000 0.00000000 0.00000000 1.79029343 2.08876512 0.00446736 -0.08404772 0.00000000 0.12262271 0.00000000 2.38400000 207.00000000 25_1SHC2.PDB 14.36380000 -14.85111048 -7.47500000 -6.57500000 -14.90977318 -0.00027224 16.64075481 -21.32816804 2.63881773 5.02507600 9.14206874 0.00000000 0.00000000 0.00000000 1.89741658 2.09026996 0.00446736 0.01175722 0.00000000 0.07674454 0.00000000 2.38400000 207.00000000 26_1SHC2.PDB 14.84430000 -14.36209985 -7.51250000 -6.27500000 -15.45417765 0.00453550 16.62746820 -22.35377408 3.20962274 4.85121461 10.80642593 0.00000000 0.00000000 0.00000000 1.75149913 2.10316474 0.00446736 -0.11242729 0.00000000 0.09054570 0.00000000 2.38400000 207.00000000 27_1SHC2.PDB 12.60010000 -16.30674166 -8.36250000 -10.13750000 -14.94253697 0.02601860 17.30152709 -20.86053086 3.11113190 6.55523437 8.99405832 0.00000000 0.00000000 0.00000000 1.93841714 2.10533566 0.00446736 -0.04104716 0.00000000 0.10651856 0.00000000 2.38400000 207.00000000 28_1SHC2.PDB 13.11390000 -13.24913230 -7.91250000 -8.75000000 -14.29353796 -0.21416573 14.79947162 -20.43571442 5.05457137 5.71653157 10.80077289 0.00000000 0.00000000 0.00000000 1.79485054 2.09605470 0.00446736 0.06650491 0.00000000 0.11961555 0.00000000 2.38400000 207.00000000 29_1SHC2.PDB 12.72680000 -14.85005760 -7.51250000 -8.05000000 -15.12110925 -0.22957752 16.62984027 -21.11626572 2.66612950 5.22152437 10.86225455 0.00000000 0.00000000 0.00000000 1.68878555 2.08116266 0.00446736 -0.00250737 0.00000000 0.10890065 0.00000000 2.38400000 207.00000000 30_1SHC2.PDB 12.87920000 -14.96967810 -7.91250000 -6.97500000 -14.38164556 0.02578189 15.08675761 -20.74400417 2.90253582 5.17063560 10.00032730 0.00000000 0.00000000 0.00000000 1.71732523 2.09118271 0.00446736 0.04862685 0.00000000 0.08701398 0.00000000 2.38400000 207.00000000