==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/INHIBITOR 19-JUN-12 3VU6 . COMPND 2 MOLECULE: TRANSMEMBRANE PROTEIN GP41; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR X.YAO,H.H.CHONG,S.WALTERSPERGER,M.T.WANG,Y.X.HE,S.CUI . 62 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 87.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 85.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 553 A N > 0 0 140 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -70.5 -15.2 11.1 -44.8 2 554 A N H > + 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 360.0 59.2 -63.7 -30.7 -13.9 13.7 -42.5 3 555 A L H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 103.8 47.3 -61.8 -41.9 -17.5 13.7 -41.5 4 556 A L H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.857 109.9 53.7 -68.4 -34.2 -17.2 10.0 -40.5 5 557 A R H X S+ 0 0 137 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.871 106.8 52.3 -69.5 -39.2 -14.0 10.8 -38.6 6 558 A A H X S+ 0 0 49 -4,-2.3 4,-2.6 2,-0.2 3,-0.3 0.970 109.0 49.3 -54.4 -57.4 -15.9 13.5 -36.7 7 559 A I H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.3 -2,-0.2 0.863 110.8 50.7 -56.0 -38.0 -18.6 11.1 -35.7 8 560 A E H X S+ 0 0 64 -4,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.872 111.2 47.2 -66.2 -40.1 -16.0 8.5 -34.6 9 561 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.860 111.0 52.3 -72.6 -31.9 -14.3 11.1 -32.4 10 562 A Q H X S+ 0 0 124 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.896 106.9 53.5 -67.2 -38.9 -17.7 12.1 -31.0 11 563 A Q H X S+ 0 0 19 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.901 108.0 49.3 -61.9 -40.5 -18.4 8.5 -30.2 12 564 A H H X S+ 0 0 136 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.916 110.3 52.1 -63.5 -40.3 -15.1 8.3 -28.3 13 565 A L H X S+ 0 0 114 -4,-2.1 4,-1.4 1,-0.2 3,-0.2 0.948 109.4 49.3 -58.2 -49.7 -16.1 11.5 -26.5 14 566 A L H X S+ 0 0 89 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.871 106.6 54.3 -56.3 -44.7 -19.4 10.0 -25.5 15 567 A Q H X S+ 0 0 66 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.858 106.7 53.4 -64.4 -34.9 -17.9 6.8 -24.2 16 568 A L H X S+ 0 0 114 -4,-1.7 4,-2.0 -3,-0.2 -1,-0.3 0.812 108.4 48.9 -62.0 -35.6 -15.7 9.0 -21.9 17 569 A T H X S+ 0 0 74 -4,-1.4 4,-2.7 -3,-0.3 -2,-0.2 0.907 109.5 52.4 -75.6 -39.5 -18.8 10.8 -20.6 18 570 A V H X S+ 0 0 15 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.923 108.5 51.5 -54.6 -47.6 -20.5 7.4 -19.9 19 571 A W H X S+ 0 0 158 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.953 112.4 45.5 -54.1 -51.0 -17.4 6.3 -18.0 20 572 A G H X S+ 0 0 18 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 110.6 53.0 -62.3 -43.1 -17.5 9.5 -15.8 21 573 A I H X S+ 0 0 72 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.900 109.5 48.2 -61.9 -42.7 -21.2 9.2 -15.2 22 574 A K H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.858 111.1 51.8 -65.4 -37.6 -20.9 5.6 -14.0 23 575 A Q H X S+ 0 0 82 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.904 112.5 45.9 -60.2 -41.8 -18.0 6.6 -11.7 24 576 A L H X S+ 0 0 103 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.919 110.3 52.0 -74.9 -38.9 -20.1 9.4 -10.2 25 577 A Q H X S+ 0 0 53 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.927 110.9 47.4 -65.3 -40.2 -23.2 7.3 -9.7 26 578 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.889 114.8 48.0 -65.8 -35.7 -21.2 4.6 -7.8 27 579 A R H X S+ 0 0 163 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.894 111.8 46.4 -74.9 -40.2 -19.6 7.2 -5.7 28 580 A I H X S+ 0 0 86 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.906 112.3 53.1 -67.9 -36.3 -22.7 9.1 -4.9 29 581 A L H X S+ 0 0 49 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.916 106.6 51.8 -63.3 -42.8 -24.4 5.8 -4.1 30 582 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.854 111.0 48.6 -63.5 -36.0 -21.6 4.9 -1.7 31 583 A V H X S+ 0 0 78 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.913 109.5 50.7 -68.4 -44.7 -22.0 8.2 0.1 32 584 A E H X S+ 0 0 106 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 113.3 47.4 -58.3 -43.4 -25.8 7.8 0.4 33 585 A R H X S+ 0 0 149 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.889 109.3 53.0 -66.2 -43.4 -25.3 4.4 1.9 34 586 A Y H X S+ 0 0 139 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.948 111.3 46.0 -56.0 -47.6 -22.6 5.6 4.3 35 587 A L H < S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.4 49.7 -66.2 -37.9 -25.0 8.4 5.6 36 588 A K H < S+ 0 0 184 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.4 49.0 -65.1 -42.0 -27.8 5.8 5.9 37 589 A D H < 0 0 134 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 360.0 360.0 -68.6 -30.3 -25.6 3.4 7.8 38 590 A Q < 0 0 168 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 360.0 360.0 -70.9 360.0 -24.4 6.2 10.2 39 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 626 B M 0 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 -36.0 4.3 -15.7 41 627 B T > - 0 0 64 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.505 360.0-108.8-100.4 174.5 -33.4 2.5 -13.5 42 628 B W H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.667 120.8 55.7 -75.8 -15.3 -29.6 2.5 -13.7 43 629 B E H > S+ 0 0 162 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.885 110.2 43.3 -81.5 -41.3 -29.9 -1.1 -14.8 44 630 B E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.808 114.3 52.8 -67.3 -36.3 -32.1 -0.2 -17.8 45 631 B W H X S+ 0 0 55 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.958 106.2 51.9 -62.0 -51.9 -29.9 2.8 -18.4 46 632 B D H X S+ 0 0 66 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.844 113.4 45.7 -53.5 -35.6 -26.7 0.6 -18.5 47 633 B K H X S+ 0 0 126 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.928 110.1 50.5 -80.7 -44.4 -28.5 -1.6 -21.1 48 634 B K H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.912 109.4 54.4 -57.8 -43.4 -29.8 1.1 -23.3 49 635 B I H X S+ 0 0 38 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.894 111.1 44.3 -52.9 -44.9 -26.3 2.6 -23.4 50 636 B E H X S+ 0 0 117 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.3 54.4 -73.2 -41.3 -24.9 -0.7 -24.6 51 637 B E H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.890 114.6 40.3 -52.7 -46.8 -27.6 -1.2 -27.1 52 638 B Y H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.781 110.5 57.0 -82.4 -27.1 -27.0 2.1 -28.7 53 639 B T H X S+ 0 0 23 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.910 110.2 46.7 -65.7 -38.3 -23.2 1.9 -28.5 54 640 B K H X S+ 0 0 128 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.939 111.6 49.6 -68.6 -48.5 -23.5 -1.4 -30.5 55 641 B K H >X S+ 0 0 98 -4,-2.0 4,-2.2 1,-0.2 3,-0.6 0.942 111.5 49.7 -53.1 -52.0 -25.8 0.1 -33.1 56 642 B I H 3X S+ 0 0 51 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.881 107.4 54.1 -57.5 -40.8 -23.5 3.1 -33.5 57 643 B E H 3X S+ 0 0 106 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.818 110.6 46.1 -69.0 -26.4 -20.4 0.9 -33.9 58 644 B E H