==== 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 3VU5 . 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 . 60 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 86.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 86.7 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 1 0 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 0 132 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -48.2 -15.3 11.2 -44.9 2 554 A N H > + 0 0 127 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.751 360.0 58.7 -68.4 -24.8 -14.1 14.0 -42.5 3 555 A L H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 105.5 45.6 -70.1 -41.6 -17.7 13.9 -41.6 4 556 A L H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 110.9 52.8 -66.8 -42.0 -17.4 10.2 -40.6 5 557 A R H X S+ 0 0 134 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.844 107.1 53.8 -61.6 -36.8 -14.2 10.9 -38.7 6 558 A A H X S+ 0 0 48 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.937 109.2 47.7 -57.8 -50.5 -16.0 13.7 -36.8 7 559 A I H X S+ 0 0 76 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.839 109.9 52.5 -63.7 -37.9 -18.7 11.3 -35.8 8 560 A E H X S+ 0 0 70 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.889 111.3 46.7 -63.8 -39.2 -16.2 8.7 -34.7 9 561 A A H X S+ 0 0 56 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.871 110.6 52.3 -71.8 -39.4 -14.4 11.3 -32.5 10 562 A Q H X S+ 0 0 116 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.864 106.0 55.1 -59.7 -39.2 -17.8 12.4 -31.1 11 563 A Q H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.885 106.3 50.4 -63.9 -39.9 -18.5 8.7 -30.3 12 564 A H H X S+ 0 0 139 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.895 109.7 51.9 -62.1 -40.1 -15.2 8.5 -28.3 13 565 A L H X S+ 0 0 112 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.927 108.4 50.8 -60.4 -46.7 -16.3 11.7 -26.4 14 566 A L H X S+ 0 0 91 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.881 107.1 52.3 -59.0 -42.7 -19.6 10.1 -25.6 15 567 A Q H X S+ 0 0 71 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.865 107.5 54.2 -64.5 -32.8 -18.0 7.0 -24.2 16 568 A L H X S+ 0 0 117 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.856 108.0 48.9 -65.0 -37.1 -15.8 9.2 -22.0 17 569 A T H X S+ 0 0 76 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.915 109.4 52.1 -70.7 -38.4 -19.0 10.9 -20.6 18 570 A V H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.913 108.3 51.3 -57.7 -49.2 -20.6 7.5 -19.9 19 571 A W H X S+ 0 0 165 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.907 112.1 48.3 -52.4 -43.8 -17.5 6.4 -18.0 20 572 A G H X S+ 0 0 18 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.952 110.5 48.8 -66.6 -49.6 -17.7 9.6 -16.0 21 573 A I H X S+ 0 0 73 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.887 110.9 50.0 -60.1 -43.0 -21.4 9.3 -15.2 22 574 A K H X S+ 0 0 92 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.851 110.1 51.0 -65.0 -36.8 -21.0 5.7 -14.0 23 575 A Q H X S+ 0 0 86 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.907 112.8 46.7 -62.8 -46.1 -18.1 6.6 -11.8 24 576 A L H X S+ 0 0 102 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.905 109.2 53.1 -63.6 -44.0 -20.2 9.5 -10.2 25 577 A Q H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.914 110.0 48.2 -62.1 -40.8 -23.3 7.3 -9.7 26 578 A A H X S+ 0 0 55 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.889 113.9 47.7 -64.3 -40.2 -21.3 4.7 -7.8 27 579 A R H X S+ 0 0 169 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.893 111.0 48.5 -71.7 -40.1 -19.7 7.3 -5.7 28 580 A I H X S+ 0 0 86 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.903 111.8 50.9 -65.4 -40.7 -22.9 9.2 -4.8 29 581 A L H X S+ 0 0 47 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.909 107.3 53.3 -63.0 -40.7 -24.6 5.9 -3.9 30 582 A A H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.887 111.1 46.5 -60.7 -42.2 -21.7 5.0 -1.6 31 583 A V H X S+ 0 0 79 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.931 111.6 50.6 -64.9 -45.2 -22.1 8.3 0.2 32 584 A E H X S+ 0 0 109 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 113.1 47.6 -58.6 -42.0 -26.0 7.9 0.4 33 585 A R H X S+ 0 0 147 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.890 109.4 51.9 -68.3 -41.8 -25.4 4.4 1.9 34 586 A Y H X S+ 0 0 150 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.926 111.5 47.6 -56.2 -45.5 -22.7 5.7 4.3 35 587 A L H < S+ 0 0 101 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.934 112.3 49.6 -66.6 -40.6 -25.2 8.4 5.6 36 588 A K H < S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 110.6 49.8 -62.5 -43.9 -28.0 5.8 5.9 37 589 A D H < 0 0 130 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.722 360.0 360.0 -69.3 -25.3 -25.7 3.4 7.9 38 590 A Q < 0 0 161 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.839 360.0 360.0 -68.5 360.0 -24.6 6.2 10.3 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 40 628 B W > 0 0 157 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.9 -29.9 2.5 -13.7 41 629 B E H > + 0 0 144 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.865 360.0 46.3 -78.0 -39.9 -30.0 -1.1 -14.8 42 630 B E H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.859 113.0 50.7 -63.3 -39.5 -32.4 -0.1 -17.6 43 631 B W H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.964 105.8 54.8 -61.6 -54.0 -30.0 2.9 -18.3 44 632 B D H X S+ 0 0 71 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.863 111.8 46.2 -47.0 -39.2 -27.0 0.6 -18.5 45 633 B K H X S+ 0 0 89 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.849 109.3 50.4 -79.2 -38.6 -28.8 -1.5 -21.1 46 634 B K H X S+ 0 0 99 -4,-2.0 4,-2.5 -3,-0.2 5,-0.3 0.894 110.5 53.0 -63.1 -39.3 -30.1 1.3 -23.3 47 635 B I H X S+ 0 0 38 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.910 110.8 45.4 -59.6 -45.2 -26.5 2.7 -23.3 48 636 B E H X S+ 0 0 95 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.898 113.1 51.7 -68.7 -40.5 -25.1 -0.7 -24.5 49 637 B E H X S+ 0 0 98 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.884 113.7 41.1 -62.3 -48.9 -27.8 -1.1 -27.1 50 638 B Y H X S+ 0 0 130 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.842 113.4 55.3 -73.8 -27.6 -27.3 2.3 -28.7 51 639 B T H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.914 110.9 44.2 -67.9 -41.7 -23.5 1.9 -28.5 52 640 B K H X S+ 0 0 130 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.938 113.4 50.9 -69.7 -42.8 -23.6 -1.3 -30.4 53 641 B K H X S+ 0 0 101 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.890 111.4 49.0 -58.3 -43.0 -26.0 0.1 -32.9 54 642 B I H X S+ 0 0 52 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.877 108.1 52.7 -62.9 -42.7 -23.8 3.1 -33.5 55 643 B E H X S+ 0 0 98 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.746 109.5 48.8 -68.9 -25.8 -20.6 1.1 -34.0 56 644 B E H X S+ 0 0 97 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.825 111.6 49.8 -82.0 -33.9 -22.2 -1.1 -36.7 57 645 B L H X S+ 0 0 85 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.892 108.2 51.9 -69.1 -44.6 -23.5 2.0 -38.5 58 646 B I H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.9 50.1 -56.4 -40.2 -20.1 3.6 -38.4 59 647 B K H < S+ 0 0 186 -4,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.880 110.0 48.8 -63.5 -42.1 -18.8 0.3 -39.9 60 648 B K H < 0 0 162 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.908 360.0 360.0 -69.1 -45.1 -21.4 0.3 -42.7 61 649 B S < 0 0 105 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.492 360.0 360.0 -55.4 360.0 -20.6 3.9 -43.5