==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-APR-10 3MOD . COMPND 2 MOLECULE: GP41 MPER-DERIVED PEPTIDE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.I.NICELY,S.M.DENNISON,G.KELSOE,H.-X.LIAO,S.M.ALAM,B.F.HAYN . 462 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 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 RESIDUES PER ALPHA HELIX . 0 1 0 1 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 . 4 6 6 2 4 9 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 5 0 2 1 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 1 660 P L 0 0 226 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.8 27.9 31.9 17.0 2 661 P L - 0 0 45 1,-0.1 2,-0.2 103,-0.0 0, 0.0 -0.418 360.0-112.0 -73.6 146.6 27.5 28.4 15.6 3 662 P E E -A 106 0A 91 103,-0.5 103,-2.3 -2,-0.1 2,-0.2 -0.505 31.8-118.7 -76.8 141.7 29.0 27.5 12.4 4 663 P L E -A 105 0A 75 101,-0.2 101,-0.3 -2,-0.2 100,-0.1 -0.559 28.0-103.0 -84.0 147.0 26.7 26.7 9.5 5 664 P D > - 0 0 6 99,-2.9 3,-1.3 -2,-0.2 4,-0.3 -0.128 36.3-103.0 -56.7 156.3 26.6 23.4 7.7 6 665 P K T 3 S+ 0 0 54 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.838 122.4 33.1 -48.2 -40.8 28.1 23.0 4.4 7 666 P W T > S+ 0 0 23 96,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.272 82.4 108.7-106.8 10.3 24.7 23.2 2.7 8 667 P A T < S+ 0 0 16 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.720 83.5 47.8 -61.8 -21.6 22.9 25.6 5.0 9 668 P S T 3 S+ 0 0 113 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.396 88.8 98.9-101.7 -0.5 23.0 28.4 2.4 10 669 P L < 0 0 47 -3,-1.6 330,-0.1 1,-0.1 328,-0.1 -0.728 360.0 360.0 -87.6 136.9 21.8 26.3 -0.5 11 670 P W 0 0 225 -2,-0.4 329,-1.8 326,-0.1 330,-0.1 -0.362 360.0 360.0 -53.6 360.0 18.2 26.6 -1.5 12 !* 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 13 1 L A 0 0 104 0, 0.0 2,-0.5 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 135.5 25.4 25.5 21.7 14 2 L L - 0 0 19 93,-0.1 2,-0.4 23,-0.0 23,-0.0 -0.629 360.0-169.3 -91.1 127.1 22.6 23.5 20.2 15 3 L Q - 0 0 129 -2,-0.5 23,-2.0 94,-0.0 2,-0.5 -0.912 6.6-163.7-110.6 134.4 20.4 21.3 22.2 16 4 L L E -B 37 0B 17 -2,-0.4 2,-0.6 94,-0.3 96,-0.4 -0.972 9.2-164.4-113.5 122.5 17.9 18.9 20.8 17 5 L T E -B 36 0B 80 19,-2.4 19,-1.8 -2,-0.5 2,-0.3 -0.919 2.4-160.4-113.6 116.0 15.4 17.6 23.2 18 6 L Q E -B 35 0B 17 -2,-0.6 17,-0.2 17,-0.2 -2,-0.0 -0.715 18.2-124.6 -95.2 141.3 13.3 14.6 22.4 19 7 L S E S+B 34 0B 46 15,-2.3 15,-2.6 -2,-0.3 2,-0.2 -0.995 79.5 17.9-147.6 140.1 10.1 13.7 24.1 20 8 L P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.681 65.0-157.4 -78.2 170.6 9.0 11.6 25.5 21 9 L S S S+ 0 0 90 1,-0.2 94,-2.1 -2,-0.2 2,-0.3 0.694 83.7 17.4 -81.5 -15.7 12.2 9.8 26.4 22 10 L S E +e 115 0C 36 92,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.993 68.1 167.9-151.1 144.5 10.2 6.7 26.8 23 11 L L E -e 116 0C 32 92,-2.2 94,-2.2 -2,-0.3 2,-0.3 -0.987 19.3-144.7-152.9 150.7 6.7 5.5 25.7 24 12 L S E +e 117 0C 39 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.906 27.9 152.5-115.4 151.6 4.7 2.3 25.5 25 13 L A E -e 118 0C 2 92,-2.2 94,-2.4 -2,-0.3 2,-0.3 -0.926 33.0-112.9-161.8 180.0 2.2 1.3 23.0 26 14 L S > - 0 0 42 -2,-0.3 3,-2.6 92,-0.2 64,-0.3 -0.903 44.8 -79.5-128.0 152.7 0.6 -1.6 21.2 27 15 L V T 3 S+ 0 0 75 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.202 120.5 27.9 -45.9 136.5 0.7 -3.0 17.7 28 16 L G T 3 S+ 0 0 42 62,-2.8 -1,-0.3 1,-0.3 63,-0.1 0.250 93.9 130.7 90.1 -13.0 -1.7 -0.9 15.6 29 17 L D < - 0 0 53 -3,-2.6 61,-3.2 60,-0.2 2,-0.5 -0.309 55.8-130.7 -68.0 156.1 -1.2 2.2 17.7 30 18 L R - 0 0 165 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.926 31.2-176.2-105.5 129.1 -0.5 5.6 16.4 31 19 L I E - C 0 87B 12 56,-2.1 56,-2.4 -2,-0.5 2,-0.4 -0.930 15.3-158.4-129.1 155.3 2.4 7.3 18.1 32 20 L T E - C 0 86B 45 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.993 4.3-171.3-132.3 132.8 4.1 10.7 17.9 33 21 L I E - C 0 85B 2 52,-2.4 52,-2.8 -2,-0.4 2,-0.3 -0.976 12.8-154.6-122.3 140.5 7.6 11.7 19.0 34 22 L T E -BC 19 84B 24 -15,-2.6 -15,-2.3 -2,-0.4 2,-0.4 -0.856 9.4-163.9-119.0 153.1 8.8 15.3 19.1 35 23 L a E -BC 18 83B 0 48,-2.4 48,-2.5 -2,-0.3 2,-0.4 -0.999 7.4-164.6-130.8 130.8 12.1 17.0 18.9 36 24 L R E -BC 17 82B 128 -19,-1.8 -19,-2.4 -2,-0.4 2,-0.4 -0.980 7.5-150.9-118.5 132.9 12.7 20.7 19.9 37 25 L A E -B 16 0B 9 44,-2.6 -21,-0.2 -2,-0.4 4,-0.1 -0.832 16.8-137.8-102.8 138.1 15.8 22.6 18.9 38 26 L S S S+ 0 0 68 -23,-2.0 2,-0.3 -2,-0.4 -1,-0.1 0.646 95.3 25.1 -66.0 -15.9 17.2 25.4 21.1 39 27 L Q S S- 0 0 76 -24,-0.2 2,-0.1 41,-0.1 -1,-0.1 -0.978 103.5 -83.7-142.4 155.3 17.7 27.4 17.8 40 28 L G - 0 0 36 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.338 35.8-179.9 -60.7 129.9 16.0 27.2 14.4 41 29 L V > - 0 0 0 39,-2.3 3,-2.3 1,-0.4 62,-0.2 0.044 30.4-140.3-118.5 25.5 17.5 24.5 12.2 42 30 L T T 3 - 0 0 54 1,-0.3 38,-2.8 37,-0.1 -1,-0.4 -0.309 67.2 -36.0 50.6-120.1 15.2 25.3 9.3 43 31 L S T 3 S+ 0 0 31 36,-0.2 2,-2.2 -3,-0.1 -1,-0.3 0.241 103.0 120.0-112.0 10.6 14.2 21.9 7.8 44 32 L A < + 0 0 0 -3,-2.3 59,-2.5 18,-0.2 60,-0.4 -0.367 41.3 118.9 -81.8 63.5 17.6 20.2 8.4 45 33 L L E -F 102 0C 0 -2,-2.2 18,-3.5 57,-0.2 2,-0.3 -0.993 40.2-169.4-135.5 125.2 16.3 17.4 10.7 46 34 L A E -F 101 0C 0 55,-2.6 55,-1.8 -2,-0.4 2,-0.4 -0.886 10.0-146.7-114.9 149.4 16.5 13.7 10.1 47 35 L W E -FG 100 60C 0 13,-2.5 12,-3.1 -2,-0.3 13,-1.4 -0.948 16.3-173.9-117.1 138.6 14.8 10.8 12.0 48 36 L Y E -FG 99 58C 0 51,-2.7 51,-1.9 -2,-0.4 2,-0.4 -0.938 16.6-148.0-129.0 148.4 16.3 7.3 12.6 49 37 L R E -FG 98 57C 19 8,-2.6 8,-1.9 -2,-0.3 2,-0.4 -0.961 16.9-170.4-112.1 133.4 15.1 4.0 14.1 50 38 L Q E -F 97 0C 18 47,-3.0 47,-2.3 -2,-0.4 3,-0.1 -0.985 5.9-162.5-127.4 124.9 17.7 1.8 15.8 51 39 L K > - 0 0 65 -2,-0.4 3,-2.1 4,-0.4 45,-0.1 -0.724 44.7 -79.7 -96.3 153.1 17.1 -1.8 16.9 52 40 L P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.223 117.4 12.9 -56.1 136.5 19.4 -3.5 19.5 53 41 L G T 3 S+ 0 0 91 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.466 114.2 96.8 76.0 2.5 22.6 -4.7 18.0 54 42 L S S < S- 0 0 57 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.847 76.2-106.6-123.9 158.7 22.0 -2.8 14.8 55 43 L P - 0 0 38 0, 0.0 -4,-0.4 0, 0.0 -6,-0.1 -0.439 50.4 -86.5 -74.3 156.9 23.0 0.6 13.3 56 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 293,-0.3 -0.225 41.7-146.6 -53.0 150.8 20.4 3.4 13.0 57 45 L Q E -G 49 0C 87 -8,-1.9 -8,-2.6 -3,-0.1 2,-0.2 -0.996 17.5-116.4-128.4 130.2 18.3 3.3 9.9 58 46 L L E +G 48 0C 7 -2,-0.4 -10,-0.2 289,-0.4 3,-0.1 -0.490 38.0 164.4 -71.9 130.5 17.1 6.5 8.2 59 47 L L E + 0 0 0 -12,-3.1 8,-2.1 1,-0.4 2,-0.4 0.767 66.0 13.2-104.6 -50.6 13.3 7.1 8.2 60 48 L I E -GH 47 66C 0 -13,-1.4 -13,-2.5 6,-0.2 -1,-0.4 -0.995 62.2-167.6-136.8 132.5 12.8 10.7 7.3 61 49 L Y E >> S+ H 0 65C 49 4,-2.5 4,-2.4 -2,-0.4 3,-0.7 -0.850 70.6 20.9-116.8 160.5 15.2 13.3 5.9 62 50 L D T 34 S- 0 0 32 282,-1.8 2,-1.5 -2,-0.3 -16,-0.2 0.882 123.8 -74.0 53.7 39.5 14.9 17.1 5.6 63 51 L A T 34 S+ 0 0 2 -18,-3.5 -1,-0.3 281,-0.3 21,-0.2 -0.047 128.1 23.8 74.2 -37.3 12.2 17.1 8.3 64 52 L S T <4 S+ 0 0 76 -2,-1.5 2,-0.5 -3,-0.7 12,-0.4 0.427 86.2 113.5-140.8 -0.6 9.4 15.6 6.2 65 53 L S E < -H 61 0C 36 -4,-2.4 -4,-2.5 10,-0.1 2,-0.5 -0.669 60.8-132.1 -86.9 126.8 10.8 13.7 3.3 66 54 L L E -H 60 0C 74 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.622 23.7-123.8 -78.8 122.1 10.2 9.9 3.3 67 55 L E > - 0 0 27 -8,-2.1 3,-2.2 -2,-0.5 -1,-0.1 -0.395 36.3 -94.2 -65.5 138.6 13.4 8.0 2.6 68 56 L S T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.275 111.4 20.2 -56.0 131.3 13.1 5.6 -0.3 69 57 L G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.300 92.3 127.4 90.8 -10.2 12.2 2.1 0.8 70 58 L V < - 0 0 11 -3,-2.2 -1,-0.3 -11,-0.1 -11,-0.1 -0.696 69.4-102.0 -82.3 132.2 10.8 3.3 4.1 71 59 L P > - 0 0 46 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.082 26.3-119.7 -52.9 146.4 7.2 2.1 4.8 72 60 L S T 3 S+ 0 0 114 1,-0.3 16,-0.1 -3,-0.1 -2,-0.0 0.651 102.2 80.9 -69.4 -14.4 4.5 4.6 4.3 73 61 L R T 3 S+ 0 0 35 16,-0.1 15,-2.1 14,-0.1 2,-0.4 0.721 79.1 85.0 -64.7 -18.0 3.4 4.5 7.9 74 62 L F E < +D 87 0B 4 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.684 54.3 163.8 -87.8 136.8 6.2 6.9 8.8 75 63 L S E -D 86 0B 59 11,-2.2 11,-3.5 -2,-0.4 2,-0.3 -0.996 19.0-156.3-149.0 151.0 5.8 10.6 8.4 76 64 L G E +D 85 0B 12 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.916 12.4 179.5-126.4 154.6 7.6 13.7 9.6 77 65 L S E +D 84 0B 66 7,-2.3 7,-2.7 -2,-0.3 2,-0.1 -0.978 28.3 59.6-150.7 155.6 6.5 17.3 10.1 78 66 L G E -D 83 0B 33 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.295 41.0-143.0 114.9 169.8 7.8 20.7 11.3 79 67 L S E > +D 82 0B 86 3,-0.8 3,-0.8 -2,-0.1 2,-0.8 -0.958 65.8 16.0-166.3 149.4 10.3 23.4 10.5 80 68 L G T 3 S- 0 0 23 -38,-2.8 -39,-2.3 -2,-0.3 -41,-0.1 -0.724 128.0 -13.8 86.3-111.7 12.4 25.7 12.6 81 69 L T T 3 S+ 0 0 67 -2,-0.8 -44,-2.6 -41,-0.2 2,-0.5 0.544 122.1 65.6-106.2 -9.2 12.6 24.6 16.3 82 70 L E E < +CD 36 79B 80 -3,-0.8 -3,-0.8 -46,-0.2 2,-0.3 -0.958 55.9 168.9-130.1 126.1 9.8 22.1 16.5 83 71 L F E -CD 35 78B 1 -48,-2.5 -48,-2.4 -2,-0.5 2,-0.4 -0.954 12.6-161.6-139.4 148.0 9.5 18.7 14.8 84 72 L T E -CD 34 77B 33 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -0.990 8.4-159.2-135.6 139.5 7.5 15.5 14.9 85 73 L L E -CD 33 76B 1 -52,-2.8 -52,-2.4 -2,-0.4 2,-0.4 -0.961 19.3-166.4-108.3 132.7 7.8 11.9 13.8 86 74 L T E -CD 32 75B 28 -11,-3.5 -11,-2.2 -2,-0.4 2,-0.6 -0.970 16.5-167.2-124.0 131.3 4.5 10.0 13.4 87 75 L I E -CD 31 74B 1 -56,-2.4 -56,-2.1 -2,-0.4 3,-0.3 -0.979 9.6-163.3-110.6 117.0 4.0 6.3 13.0 88 76 L S S S+ 0 0 60 -15,-2.1 2,-0.4 -2,-0.6 -1,-0.1 0.896 78.7 15.5 -69.1 -41.9 0.4 5.8 11.9 89 77 L T S S- 0 0 68 -59,-0.1 -1,-0.3 -16,-0.1 -59,-0.2 -0.862 83.5-132.1-139.8 100.3 0.1 2.1 12.7 90 78 L L - 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