Hemochromatosis gromacs energy table pictures
From Bioinformatikpedia
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 |
</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 |
</figtable>
