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_1Q622.PDB -34.98994777 -266.05000000 -154.61250000 -456.80200515 -41.45859760 580.22497711 -562.34631351 36.61453935 258.29772832 546.50695743 0.00000000 0.00000000 0.00000000 32.90918882 48.14372597 -0.09610953 -2.01092743 0.00000000 -6.16688559 0.00000000 0.00000000 358.00000000 2_1Q622.PDB -42.74801397 -267.78750000 -157.32500000 -457.55323102 -42.31710599 582.62546881 -563.32792023 32.41336399 260.64495704 546.23094521 0.00000000 0.00000000 0.00000000 32.73390249 47.83438741 -0.15813134 -2.19610553 0.00000000 -6.73165739 0.00000000 0.00000000 358.00000000 3_1Q622.PDB -45.43736369 -266.90000000 -158.32500000 -457.32990961 -43.02726101 581.49981647 -562.65378074 30.50543480 261.74410687 545.63268466 0.00000000 0.00000000 0.00000000 32.90657722 48.22823469 -0.18687565 -2.40218966 0.00000000 -6.90096704 0.00000000 0.00000000 358.00000000 4_1Q622.PDB -40.66010377 -265.35000000 -157.00000000 -456.44146612 -43.82588816 579.79571081 -561.86192896 36.81489026 259.69444899 544.46466790 0.00000000 0.00000000 0.00000000 32.81310294 47.54001323 -0.71390142 -2.16792075 0.00000000 -6.88181926 0.00000000 0.00000000 358.00000000 5_1Q622.PDB -40.34400514 -265.35000000 -154.91250000 -455.49058668 -41.43831497 578.19100922 -560.66202553 33.27556876 258.32848525 544.29129803 0.00000000 0.00000000 0.00000000 32.25157807 47.71283593 -0.70957407 -1.88972672 0.00000000 -6.22921650 0.00000000 0.00000000 358.00000000 6_1Q622.PDB -42.82335843 -263.86250000 -157.25000000 -456.12127105 -43.57891381 579.65353627 -561.53817526 31.92749054 259.45910404 544.73000302 0.00000000 0.00000000 0.00000000 33.81322471 47.64612683 -0.92889415 -2.29479328 0.00000000 -6.83216946 0.00000000 0.00000000 358.00000000 7_1Q622.PDB -37.74406621 -268.26250000 -153.11250000 -456.43128913 -40.46781721 581.59105332 -560.86539172 30.42356491 258.79816371 546.30944911 0.00000000 0.00000000 0.00000000 32.95139614 48.73694867 -0.73041292 -1.99468431 0.00000000 -5.95309811 0.00000000 0.00000000 358.00000000 8_1Q622.PDB -45.90877831 -264.75000000 -155.02500000 -455.67963874 -43.80821355 579.48703057 -560.08866332 24.56558461 259.06852008 544.60387110 0.00000000 0.00000000 0.00000000 35.27859522 48.02497912 -0.72839588 -1.92804224 0.00000000 -6.90442615 0.00000000 0.00000000 358.00000000 9_1Q622.PDB -37.99218005 -263.61250000 -150.53750000 -456.15771818 -43.25013490 579.00045097 -561.62602897 32.18213145 257.84555508 544.20873559 0.00000000 0.00000000 0.00000000 33.87671101 47.82125192 -0.80475868 -2.36787015 0.00000000 -6.74925327 0.00000000 0.00000000 358.00000000 10_1Q622.PDB -39.96118253 -266.90000000 -159.65000000 -457.74137509 -42.00150723 583.21889861 -562.66783003 32.93207765 260.91504498 546.05808279 0.00000000 0.00000000 0.00000000 34.50412406 47.66106506 -0.16024663 -2.29208953 0.00000000 -6.17636211 0.00000000 0.00000000 358.00000000 11_1Q622.PDB -45.85282543 -267.78750000 -160.36250000 -458.92368495 -43.18898930 584.67865750 -564.21588072 32.30048830 262.01925349 546.49762447 0.00000000 0.00000000 0.00000000 32.75509779 47.99052962 -0.22044692 -2.78161644 0.00000000 -6.62332866 0.00000000 0.00000000 358.00000000 12_1Q622.PDB -36.63893006 -268.67500000 -152.85000000 -458.17363379 -39.10356348 582.99349202 -563.87006996 30.03132571 260.86353280 546.90639861 0.00000000 0.00000000 0.00000000 32.96121099 48.44177798 -0.19925478 -1.92712322 0.00000000 -5.59624497 0.00000000 0.00000000 358.00000000 13_1Q622.PDB -30.76209946 -266.16250000 -150.71250000 -457.41457267 -42.82248255 582.74812827 -562.45788222 38.38697946 259.45842531 544.87971138 0.00000000 0.00000000 0.00000000 32.78901491 47.63917034 -0.75478981 -2.26432573 0.00000000 -6.43530581 0.00000000 0.00000000 358.00000000 14_1Q622.PDB -41.46235290 -265.80000000 -154.96250000 -457.26701993 -42.43826934 579.87100039 -563.16159994 33.74789980 258.76387716 545.62698065 0.00000000 0.00000000 0.00000000 32.72188365 47.71994554 -0.10221963 -2.13324975 0.00000000 -6.32913596 0.00000000 0.00000000 358.00000000 15_1Q622.PDB -44.52016387 -268.01250000 -157.95000000 -458.00634532 -43.91214724 583.31290933 -562.75276195 31.84242423 260.81982716 546.07338821 0.00000000 0.00000000 0.00000000 33.43576919 48.23990365 -0.78867648 -2.22299075 0.00000000 -6.35906026 0.00000000 0.00000000 358.00000000 16_1Q622.PDB -39.27027439 -266.05000000 -155.31250000 -456.89716257 -42.05826396 581.94478515 -562.44197160 32.68498421 259.04270360 545.64906334 0.00000000 0.00000000 0.00000000 32.99895721 47.88479197 -0.08869341 -2.24281211 0.00000000 -6.49936424 0.00000000 0.00000000 358.00000000 17_1Q622.PDB -36.93536175 -267.33750000 -153.27500000 -457.91134218 -41.96169627 582.79571280 -562.83400961 32.99320500 259.75464554 546.33089872 0.00000000 0.00000000 0.00000000 33.95948981 47.87358582 -0.98968127 -2.37905159 0.00000000 -6.08103269 0.00000000 0.00000000 358.00000000 18_1Q622.PDB -35.75150898 -266.48750000 -153.78750000 -457.77723718 -42.80975615 582.44726135 -562.20373227 34.75602709 260.33663496 545.96979391 0.00000000 0.00000000 0.00000000 33.16823545 48.03996701 -0.73938226 -2.38055523 0.00000000 -6.24379866 0.00000000 0.00000000 358.00000000 19_1Q622.PDB -37.34342303 -267.12500000 -156.80000000 -458.02024578 -43.22383578 584.87623686 -562.51874454 33.90054535 259.80416044 545.98378370 0.00000000 0.00000000 0.00000000 35.43063677 48.10222891 -0.80942809 -2.67025239 0.00000000 -6.17127956 0.00000000 0.00000000 358.00000000 20_1Q622.PDB -43.15787641 -267.97500000 -157.85000000 -458.29314425 -43.87333905 585.74838951 -563.11339656 31.51315859 260.70037446 546.23943672 0.00000000 0.00000000 0.00000000 34.07151622 47.96632174 -0.89412923 -2.72299282 0.00000000 -6.70875000 0.00000000 0.00000000 358.00000000 21_1Q622.PDB -47.84646938 -264.31250000 -153.06250000 -455.31072449 -41.45070602 578.62163811 -559.78558809 20.82425789 257.36380134 545.22649719 0.00000000 0.00000000 0.00000000 32.56089204 47.62616985 -0.20952252 -2.04634752 0.00000000 -6.26566731 0.00000000 0.00000000 358.00000000 22_1Q622.PDB -35.96639169 -264.27500000 -152.28750000 -458.55354852 -45.06711676 583.18758357 -564.14502933 37.80930150 260.82555271 544.26753509 0.00000000 0.00000000 0.00000000 32.92332959 47.59494337 -0.12457453 -2.41374144 0.00000000 -8.11318358 0.00000000 0.00000000 358.00000000 23_1Q622.PDB -47.39488497 -263.42500000 -158.18750000 -457.63694719 -45.12277548 580.60064085 -563.34265450 32.83287557 259.70070417 544.44730047 0.00000000 0.00000000 0.00000000 33.56534487 47.43935597 -0.11581531 -2.58970795 0.00000000 -8.12135047 0.00000000 0.00000000 358.00000000 24_1Q622.PDB -39.11785188 -263.67500000 -153.72500000 -458.40011102 -45.14031779 582.94129235 -563.40973935 35.33000775 259.32908274 545.11907923 0.00000000 0.00000000 0.00000000 32.97287838 47.77483791 -0.09665850 -2.22436549 0.00000000 -8.13900019 0.00000000 0.00000000 358.00000000 25_1Q622.PDB -39.98205151 -268.57500000 -158.16250000 -456.10713414 -39.05483071 580.70516062 -560.98726926 31.90500005 260.47968076 545.75603909 0.00000000 0.00000000 0.00000000 32.31394009 48.14594637 -0.71602082 -2.25784515 0.00000000 -5.28127204 0.00000000 0.00000000 358.00000000 26_1Q622.PDB -37.94700200 -266.23750000 -155.42500000 -456.49855357 -42.59784271 581.29922573 -561.41318185 35.17132060 258.88080820 545.06596834 0.00000000 0.00000000 0.00000000 33.36091465 47.92395031 -0.64907679 -2.86408852 0.00000000 -6.03999607 0.00000000 0.00000000 358.00000000 27_1Q622.PDB -37.90913850 -270.35000000 -157.01250000 -457.30971867 -40.31792080 586.23875739 -561.63296384 30.93708705 259.79295784 546.62522180 0.00000000 0.00000000 0.00000000 34.05272663 48.20024919 -0.74535944 -2.47474559 0.00000000 -5.71268086 0.00000000 0.00000000 358.00000000 28_1Q622.PDB -34.05544606 -264.50000000 -151.72500000 -456.01660025 -41.40307377 579.02811733 -561.13174961 35.03112436 257.47152968 544.63677443 0.00000000 0.00000000 0.00000000 33.74823579 48.07092312 -0.92468040 -2.25349874 0.00000000 -6.01662488 0.00000000 0.00000000 358.00000000 29_1Q622.PDB -46.12058812 -265.60000000 -156.50000000 -456.39644568 -43.22101592 583.59849781 -560.44696999 24.67173724 257.60592259 544.71981707 0.00000000 0.00000000 0.00000000 34.82041184 47.52110220 -0.64827888 -2.41102503 0.00000000 -6.31323918 0.00000000 0.00000000 358.00000000 30_1Q622.PDB -36.93054240 -263.61250000 -153.51250000 -455.92609104 -43.93210530 578.37554447 -561.15730672 37.02254912 257.67281497 544.07106085 0.00000000 0.00000000 0.00000000 33.28218396 47.62242523 -0.70273162 -2.04055920 0.00000000 -6.47090189 0.00000000 0.00000000 358.00000000