name total energy Backbone Hbon 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_2AFF2.PDB 44.66807195 -82.87500000 -49.47500000 -125.13720723 -10.08818932 175.21858782 -141.17735366 18.74214937 77.62010765 171.56845408 0.00000000 0.00000000 0.00000000 13.26102447 33.36469572 0.24052135 -0.33422693 0.00000000 -2.89579564 0.00000000 0.00000000 118.00000000 2_2AFF2.PDB 48.50530480 -82.95000000 -49.75000000 -122.53521137 -7.59716225 172.51981006 -138.21984302 16.85216186 76.28339072 171.78386991 0.00000000 0.00000000 0.00000000 14.84180996 32.91085556 0.20307663 -0.42968669 0.00000000 -2.49691101 0.00000000 0.00000000 118.00000000 3_2AFF2.PDB 46.59635475 -81.73750000 -49.06250000 -124.16698468 -8.86654259 174.82652303 -140.99948906 16.82729807 76.09665217 171.66538661 0.00000000 0.00000000 0.00000000 15.69704094 31.76996115 -0.18850328 -0.53124322 0.00000000 -2.96378325 0.00000000 0.00000000 118.00000000 4_2AFF2.PDB 43.92395356 -82.83750000 -51.52500000 -124.79310642 -8.17728501 176.41150499 -140.98390432 18.04332519 76.44179054 171.65376054 0.00000000 0.00000000 0.00000000 13.07916384 32.05084544 -0.25195257 -0.70448010 0.00000000 -2.43236310 0.00000000 0.00000000 118.00000000 5_2AFF2.PDB 44.39401859 -83.76250000 -50.67500000 -124.08071219 -8.43863350 174.15186277 -141.21912600 19.74331177 76.26649658 172.40373849 0.00000000 0.00000000 0.00000000 13.60714812 32.57285660 0.25519541 -0.75379562 0.00000000 -3.10396724 0.00000000 0.00000000 118.00000000 6_2AFF2.PDB 46.56552169 -81.63750000 -48.56250000 -124.35746740 -8.62378208 174.16425860 -141.25430152 18.79716707 75.81057667 171.82001636 0.00000000 0.00000000 0.00000000 13.42991053 32.09124276 0.24927290 -0.46870734 0.00000000 -2.80142211 0.00000000 0.00000000 118.00000000 7_2AFF2.PDB 45.62570433 -80.53750000 -47.03750000 -123.59471181 -7.57731294 172.00314422 -140.59890390 16.32834813 74.62535358 171.05556843 0.00000000 0.00000000 0.00000000 13.60975204 32.13709325 0.22591475 -0.57439652 0.00000000 -2.30205163 0.00000000 0.00000000 118.00000000 8_2AFF2.PDB 43.71687927 -80.50000000 -48.81250000 -124.57717122 -8.55854694 172.92566583 -141.48527753 19.05395767 74.31030844 170.97514190 0.00000000 0.00000000 0.00000000 13.42432297 32.36066977 0.27382542 -0.50873303 0.00000000 -2.80411424 0.00000000 0.00000000 118.00000000 9_2AFF2.PDB 46.17007799 -80.78750000 -47.71250000 -124.54286746 -8.59595120 173.12640982 -141.61407971 18.99629451 75.23642121 171.11194352 0.00000000 0.00000000 0.00000000 13.52798796 32.09320101 -0.15013471 -0.35237433 0.00000000 -2.07357163 0.00000000 0.00000000 118.00000000 10_2AFF2.PDB 43.93694437 -81.13750000 -50.16250000 -123.69104086 -8.60558024 173.41718928 -140.56100652 16.65213682 75.43885530 171.64800228 0.00000000 0.00000000 0.00000000 13.93449533 31.22504932 -0.16139755 -0.57802009 0.00000000 -2.25668938 0.00000000 0.00000000 118.00000000 11_2AFF2.PDB 49.49305236 -79.01250000 -47.40000000 -123.92985468 -8.12429815 172.13519136 -141.24568968 18.34561023 75.53036193 171.52360165 0.00000000 0.00000000 0.00000000 15.08875375 31.51852327 0.19025866 -0.54475771 0.00000000 -3.06362499 0.00000000 0.00000000 118.00000000 12_2AFF2.PDB 47.29231083 -82.58750000 -48.92500000 -123.22659383 -7.67163340 172.01195404 -139.63748676 18.04793876 76.84721951 172.38092897 0.00000000 0.00000000 0.00000000 13.02932195 31.13710176 0.21225852 -0.75711038 0.00000000 -2.43198656 0.00000000 0.00000000 118.00000000 13_2AFF2.PDB 45.07963908 -82.31250000 -48.55000000 -123.85238816 -7.71969116 173.34741141 -140.85905200 17.53295234 75.96761124 171.18344175 0.00000000 0.00000000 0.00000000 13.42176507 31.94464138 -0.28951141 -0.52680920 0.00000000 -2.26359080 0.00000000 0.00000000 118.00000000 14_2AFF2.PDB 43.86834050 -80.50000000 -49.86250000 -123.71511659 -8.27516920 172.17549224 -140.70944037 18.75460027 75.17284140 170.24160166 0.00000000 0.00000000 0.00000000 13.09124467 31.88744737 0.28396556 -0.50133820 0.00000000 -2.28784093 0.00000000 0.00000000 118.00000000 15_2AFF2.PDB 47.24091474 -80.25000000 -51.01250000 -123.56746068 -7.74933254 172.38365560 -140.76446002 19.42457504 75.17176037 171.66529788 0.00000000 0.00000000 0.00000000 15.16049798 31.44046616 0.16203832 -0.71009127 0.00000000 -2.67306594 0.00000000 0.00000000 118.00000000 16_2AFF2.PDB 42.07636626 -83.76250000 -51.72500000 -125.10468198 -9.86140385 176.92859997 -141.72732439 18.89042822 77.61400209 171.37153915 0.00000000 0.00000000 0.00000000 13.04558164 32.64588240 -0.16530964 -0.54813943 0.00000000 -2.87942551 0.00000000 0.00000000 118.00000000 17_2AFF2.PDB 47.76382319 -82.45000000 -48.03750000 -123.80930221 -8.70269723 173.55697735 -140.35843317 19.55017768 74.82812140 172.44211211 0.00000000 0.00000000 0.00000000 13.44331168 32.85421044 0.23714649 -0.46658241 0.00000000 -2.46950849 0.00000000 0.00000000 118.00000000 18_2AFF2.PDB 46.47172346 -79.86250000 -47.48750000 -122.79318895 -7.77075302 170.18617265 -139.80944213 19.27990113 73.20148626 171.36515723 0.00000000 0.00000000 0.00000000 12.65202835 32.25047350 0.23834624 -0.48091272 0.00000000 -2.24707158 0.00000000 0.00000000 118.00000000 19_2AFF2.PDB 45.27124142 -81.98750000 -50.71250000 -123.55293385 -8.64290140 174.72158498 -139.97346967 17.97220664 75.82082082 172.25436692 0.00000000 0.00000000 0.00000000 12.71061320 32.01908498 0.22392006 -0.50663547 0.00000000 -3.05633079 0.00000000 0.00000000 118.00000000 20_2AFF2.PDB 48.17949431 -81.56250000 -50.25000000 -123.06104571 -7.66090513 172.68493270 -139.44530823 19.81505771 74.70996783 172.03220171 0.00000000 0.00000000 0.00000000 13.19931924 32.31752017 0.28160172 -0.53117174 0.00000000 -2.03265580 0.00000000 0.00000000 118.00000000 21_2AFF2.PDB 45.83324680 -81.98750000 -51.12500000 -123.68945585 -7.63211853 173.98329240 -140.52072712 16.78818717 75.32716665 172.07914323 0.00000000 0.00000000 0.00000000 15.50793575 32.27727870 0.25622106 -0.48153231 0.00000000 -2.67236566 0.00000000 0.00000000 118.00000000 22_2AFF2.PDB 45.10804636 -81.56250000 -48.46250000 -125.26857710 -8.26494495 174.83052745 -142.47336978 19.32753800 75.15984349 171.45015852 0.00000000 0.00000000 0.00000000 13.06109611 32.26231786 -0.18045964 -0.47996673 0.00000000 -2.02879899 0.00000000 0.00000000 118.00000000 23_2AFF2.PDB 45.85796020 -82.20000000 -49.90000000 -123.07747460 -8.73619439 173.20616269 -139.34680805 19.82354361 74.94307503 171.25417042 0.00000000 0.00000000 0.00000000 12.58414337 31.52742225 -0.14288654 -0.39157685 0.00000000 -2.15819449 0.00000000 0.00000000 118.00000000 24_2AFF2.PDB 41.79095460 -83.68750000 -51.42500000 -125.09132703 -8.20049572 176.00411987 -141.89883029 18.72509041 76.57296546 170.64023822 0.00000000 0.00000000 0.00000000 12.97934607 31.79538604 -0.19274977 -0.49785915 0.00000000 -2.13704347 0.00000000 0.00000000 118.00000000 25_2AFF2.PDB 44.07689148 -82.83750000 -51.82500000 -124.93923787 -8.44430440 176.40345049 -141.75163020 17.85140349 75.96729624 172.29402876 0.00000000 0.00000000 0.00000000 14.77868898 31.82110400 -0.17551100 -0.69676116 0.00000000 -2.54803184 0.00000000 0.00000000 118.00000000 26_2AFF2.PDB 48.92467080 -81.85000000 -45.90000000 -123.80782378 -8.24887632 173.25810992 -140.36155406 19.09937133 74.25381596 172.57011794 0.00000000 0.00000000 0.00000000 13.24699502 32.84413179 0.21809808 -0.72009767 0.00000000 -2.83348561 0.00000000 0.00000000 118.00000000 27_2AFF2.PDB 46.61452484 -82.23750000 -49.18750000 -123.56913919 -7.45429247 173.24096546 -140.11172679 18.95216892 74.99721156 171.98024352 0.00000000 0.00000000 0.00000000 12.87826293 32.24686048 0.16194572 -0.56484694 0.00000000 -2.47126787 0.00000000 0.00000000 118.00000000 28_2AFF2.PDB 43.97244487 -83.08750000 -50.85000000 -124.30478950 -6.37173021 173.02089542 -141.48779392 18.28219603 76.19087522 171.46091404 0.00000000 0.00000000 0.00000000 13.32962904 32.11095006 -0.23042351 -0.37793757 0.00000000 -1.60189017 0.00000000 0.00000000 118.00000000 29_2AFF2.PDB 46.74845088 -82.87500000 -49.06250000 -124.08683691 -9.14309914 174.96916110 -140.30727635 19.63559454 76.52343399 171.92135379 0.00000000 0.00000000 0.00000000 12.57585240 33.36779756 0.21269682 -0.50571683 0.00000000 -3.10921253 0.00000000 0.00000000 118.00000000 30_2AFF2.PDB 46.12601014 -81.35000000 -48.33750000 -123.12080068 -6.16914671 171.09622334 -140.53218337 17.45047699 75.54467734 170.97599915 0.00000000 0.00000000 0.00000000 12.79223460 30.91349753 0.16744993 -0.52902421 0.00000000 -1.86239624 0.00000000 0.00000000 118.00000000