Hemochromatosis gromacs energy table pictures

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Tables

<figtable id="charmm27-table">

Mutation Step Bond Potential
charmm27foldX_A162S.pdb.tpr.edr.xvg 416.000000 911.913208 -38642.117188
charmm27foldX_A162S_WT.pdb.tpr.edr.xvg 414.000000 912.089478 -38686.621094
charmm27foldX_C282S.pdb.tpr.edr.xvg 434.000000 913.239929 -38589.964844
charmm27foldX_C282S_WT.pdb.tpr.edr.xvg 500.000000 924.356506 -38874.335938
charmm27foldX_E277K.pdb.tpr.edr.xvg 430.000000 911.529053 -38557.769531
charmm27foldX_E277K_WT.pdb.tpr.edr.xvg 459.000000 915.498230 -38748.359375
charmm27foldX_G93R.pdb.tpr.edr.xvg 399.000000 918.111633 -39702.589844
charmm27foldX_G93R_WT.pdb.tpr.edr.xvg 384.000000 909.011108 -38604.292969
charmm27foldX_L183P.pdb.tpr.edr.xvg 414.000000 915.552612 -38457.714844
charmm27foldX_L183P_WT.pdb.tpr.edr.xvg 392.000000 911.028076 -38654.937500
charmm27foldX_M35T.pdb.tpr.edr.xvg 409.000000 914.066162 -38787.164062
charmm27foldX_M35T_WT.pdb.tpr.edr.xvg 483.000000 918.399475 -38843.636719
charmm27foldX_Q127H.pdb.tpr.edr.xvg 500.000000 922.999756 -38733.972656
charmm27foldX_Q127H_WT.pdb.tpr.edr.xvg 498.000000 923.042114 -38891.468750
charmm27foldX_R224W.pdb.tpr.edr.xvg 499.000000 918.184448 -37634.843750
charmm27foldX_R224W_WT.pdb.tpr.edr.xvg 423.000000 912.450745 -38684.457031
charmm27foldX_T217I.pdb.tpr.edr.xvg 500.000000 923.034302 -38771.113281
charmm27foldX_T217I_WT.pdb.tpr.edr.xvg 500.000000 920.963379 -38851.589844
charmm27foldX_V53M.pdb.tpr.edr.xvg 500.000000 919.746765 -38904.714844
charmm27foldX_V53M_WT.pdb.tpr.edr.xvg 427.000000 912.595825 -38751.250000
charmm27scwrl_A162S.pdb.tpr.edr.xvg 493.000000 928.129150 -38806.101562
charmm27scwrl_C282S.pdb.tpr.edr.xvg 500.000000 926.424072 -38715.519531
charmm27scwrl_E277K.pdb.tpr.edr.xvg 500.000000 922.746704 -38652.375000
charmm27scwrl_G93R.pdb.tpr.edr.xvg 500.000000 937.159790 -39957.160156
charmm27scwrl_L183P.pdb.tpr.edr.xvg 500.000000 933.260010 -38573.492188
charmm27scwrl_M35T.pdb.tpr.edr.xvg 432.000000 919.643250 -38756.308594
charmm27scwrl_Q127H.pdb.tpr.edr.xvg 488.000000 926.190369 -38716.339844
charmm27scwrl_R224W.pdb.tpr.edr.xvg 500.000000 924.948364 -37588.648438
charmm27scwrl_T217I.pdb.tpr.edr.xvg 500.000000 929.191162 -38751.257812
charmm27scwrl_V53M.pdb.tpr.edr.xvg 500.000000 925.480591 -38804.257812
charmm27scwrl_WT.pdb.tpr.edr.xvg 500.000000 926.869995 -38812.652344
Table TODO: TODO

</figtable>




<figtable id="amber03-table">

Mutation Step Bond Angle Potential
amber03foldX_A162S.pdb.tpr.edr.xvg 500.000000 491.628113 2726.369141 -35122.839844
amber99sb-ildnfoldX_A162S.pdb.tpr.edr.xvg 411.000000 548.428772 2829.568848 -42459.734375
amber03foldX_A162S_WT.pdb.tpr.edr.xvg 465.000000 488.298706 2727.959473 -35008.968750
amber99sb-ildnfoldX_A162S_WT.pdb.tpr.edr.xvg 411.000000 549.143311 2825.947021 -42442.929688
amber03foldX_C282S.pdb.tpr.edr.xvg 461.000000 487.568878 2732.329102 -34902.957031
amber99sb-ildnfoldX_C282S.pdb.tpr.edr.xvg 411.000000 549.390625 2828.051758 -42387.605469
amber03foldX_C282S_WT.pdb.tpr.edr.xvg 436.000000 485.605164 2733.264404 -34935.320312
amber99sb-ildnfoldX_C282S_WT.pdb.tpr.edr.xvg 430.000000 549.207642 2828.042480 -42433.660156
amber03foldX_E277K.pdb.tpr.edr.xvg 411.000000 483.082153 2733.909424 -34586.335938
amber99sb-ildnfoldX_E277K.pdb.tpr.edr.xvg 450.000000 549.789795 2826.137451 -42290.179688
amber03foldX_E277K_WT.pdb.tpr.edr.xvg 500.000000 491.365387 2725.939453 -35042.156250
amber99sb-ildnfoldX_E277K_WT.pdb.tpr.edr.xvg 410.000000 549.350708 2826.068848 -42442.281250
amber03foldX_G93R.pdb.tpr.edr.xvg 412.000000 488.639648 2738.803955 -35611.089844
amber99sb-ildnfoldX_G93R.pdb.tpr.edr.xvg 403.000000 557.051208 2834.081543 -43169.542969
amber03foldX_G93R_WT.pdb.tpr.edr.xvg 437.000000 485.531738 2731.121826 -35081.218750
amber99sb-ildnfoldX_G93R_WT.pdb.tpr.edr.xvg 408.000000 549.187622 2825.667236 -42462.242188
amber03foldX_L183P.pdb.tpr.edr.xvg 377.000000 483.799500 2766.614014 -34694.523438
amber99sb-ildnfoldX_L183P.pdb.tpr.edr.xvg 431.000000 551.478882 2860.221436 -42201.164062
amber03foldX_L183P_WT.pdb.tpr.edr.xvg 463.000000 488.210205 2726.013428 -35005.070312
amber99sb-ildnfoldX_L183P_WT.pdb.tpr.edr.xvg 405.000000 547.895203 2824.677490 -42419.527344
amber03foldX_M35T.pdb.tpr.edr.xvg 499.000000 490.753815 2731.586182 -35207.015625
amber99sb-ildnfoldX_M35T.pdb.tpr.edr.xvg 398.000000 548.453735 2834.165283 -42549.324219
amber03foldX_M35T_WT.pdb.tpr.edr.xvg 500.000000 490.350128 2731.472900 -35056.296875
amber99sb-ildnfoldX_M35T_WT.pdb.tpr.edr.xvg 431.000000 551.399170 2830.634766 -42482.703125
amber03foldX_Q127H.pdb.tpr.edr.xvg 443.000000 487.118530 2811.132080 -34757.441406
amber99sb-ildnfoldX_Q127H.pdb.tpr.edr.xvg 437.000000 551.995483 2902.304688 -42259.121094
amber03foldX_Q127H_WT.pdb.tpr.edr.xvg 279.000000 468.112152 2735.121094 -34561.304688
amber99sb-ildnfoldX_Q127H_WT.pdb.tpr.edr.xvg 410.000000 548.062073 2830.985596 -42440.109375
amber03foldX_R224W.pdb.tpr.edr.xvg 484.000000 486.756226 2730.202148 -34353.531250
amber99sb-ildnfoldX_R224W.pdb.tpr.edr.xvg 413.000000 539.858215 2828.609131 -41523.914062
amber03foldX_R224W_WT.pdb.tpr.edr.xvg 449.000000 489.200500 2730.227539 -34956.691406
amber99sb-ildnfoldX_R224W_WT.pdb.tpr.edr.xvg 359.000000 544.189209 2828.104736 -42281.617188
amber03foldX_T217I.pdb.tpr.edr.xvg 454.000000 490.702209 2736.986572 -34824.484375
amber99sb-ildnfoldX_T217I.pdb.tpr.edr.xvg 469.000000 554.951294 2827.989258 -42393.929688
amber03foldX_T217I_WT.pdb.tpr.edr.xvg 469.000000 487.084595 2728.806641 -34984.101562
amber99sb-ildnfoldX_T217I_WT.pdb.tpr.edr.xvg 278.000000 535.512634 2823.761475 -42123.968750
amber03foldX_V53M.pdb.tpr.edr.xvg 468.000000 484.353394 2717.921631 -35002.503906
amber99sb-ildnfoldX_V53M.pdb.tpr.edr.xvg 321.000000 537.884521 2815.856934 -42196.277344
amber03foldX_V53M_WT.pdb.tpr.edr.xvg 499.000000 489.776550 2712.700928 -35080.843750
amber99sb-ildnfoldX_V53M_WT.pdb.tpr.edr.xvg 378.000000 544.699585 2814.333008 -42392.343750
amber03scwrl_A162S.pdb.tpr.edr.xvg 446.000000 489.782104 2719.646729 -34788.820312
amber99sb-ildnscwrl_A162S.pdb.tpr.edr.xvg 477.000000 553.757019 2813.325928 -42418.507812
amber03scwrl_C282S.pdb.tpr.edr.xvg 472.000000 488.935638 2708.616699 -34695.152344
amber99sb-ildnscwrl_C282S.pdb.tpr.edr.xvg 407.000000 548.147949 2805.448975 -42232.640625
amber03scwrl_E277K.pdb.tpr.edr.xvg 479.000000 487.748413 2715.674072 -34448.855469
amber99sb-ildnscwrl_E277K.pdb.tpr.edr.xvg 402.000000 544.935852 2814.166016 -42060.632812
amber03scwrl_G93R.pdb.tpr.edr.xvg 453.000000 493.024719 2714.307373 -35355.242188
amber99sb-ildnscwrl_G93R.pdb.tpr.edr.xvg 468.000000 562.177612 2810.380371 -43178.710938
amber03scwrl_L183P.pdb.tpr.edr.xvg 325.000000 480.905640 2740.796875 -34343.757812
amber99sb-ildnscwrl_L183P.pdb.tpr.edr.xvg 344.000000 544.525330 2831.428955 -41881.765625
amber03scwrl_M35T.pdb.tpr.edr.xvg 397.000000 483.174225 2714.149170 -34749.484375
amber99sb-ildnscwrl_M35T.pdb.tpr.edr.xvg 458.000000 551.421387 2804.754639 -42476.714844
amber03scwrl_Q127H.pdb.tpr.edr.xvg 384.000000 483.427490 2787.176758 -34257.574219
amber99sb-ildnscwrl_Q127H.pdb.tpr.edr.xvg 423.000000 550.531982 2878.031738 -42057.433594
amber03scwrl_R224W.pdb.tpr.edr.xvg 500.000000 489.265625 2709.783447 -34167.886719
amber99sb-ildnscwrl_R224W.pdb.tpr.edr.xvg 499.000000 550.281860 2805.838867 -41575.382812
amber03scwrl_T217I.pdb.tpr.edr.xvg 469.000000 493.073303 2714.950439 -34627.269531
amber99sb-ildnscwrl_T217I.pdb.tpr.edr.xvg 444.000000 551.933533 2810.318848 -42198.093750
amber03scwrl_V53M.pdb.tpr.edr.xvg 374.000000 482.391785 2717.136719 -34590.843750
amber99sb-ildnscwrl_V53M.pdb.tpr.edr.xvg 386.000000 548.273010 2810.422363 -42180.039062
amber03scwrl_WT.pdb.tpr.edr.xvg 400.000000 485.167786 2712.698242 -34643.476562
amber99sb-ildnscwrl_WT.pdb.tpr.edr.xvg 424.000000 548.481323 2805.496094 -42275.007812
Table TODO:TODO.

</figtable>

Pictures