==== 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 3MOA . COMPND 2 MOLECULE: GP41 MPER-DERIVED PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.I.NICELY,S.M.DENNISON,G.KELSOE,H.-X.LIAO,S.M.ALAM,B.F.HAYN . 461 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 65.1 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 . 182 39.5 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 0.7 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 . 47 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 1 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 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 . 3 7 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 1 659 P E 0 0 141 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.1 4.6 30.2 -20.6 2 660 P L + 0 0 179 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.429 360.0 160.8 -84.8 67.4 1.6 30.7 -18.3 3 661 P L - 0 0 34 -2,-1.7 2,-0.3 1,-0.1 0, 0.0 -0.574 39.4-119.1 -90.1 146.3 2.1 27.6 -16.2 4 662 P E E -A 106 0A 98 102,-0.7 102,-2.2 -2,-0.2 2,-0.2 -0.621 30.5-118.8 -81.2 142.3 0.6 27.0 -12.8 5 663 P L E -A 105 0A 85 -2,-0.3 100,-0.3 100,-0.2 99,-0.1 -0.517 30.3-103.1 -80.3 149.2 2.9 26.4 -9.9 6 664 P D > - 0 0 7 98,-2.4 3,-1.3 -2,-0.2 4,-0.3 -0.192 35.7-100.8 -64.1 157.8 2.9 23.3 -8.0 7 665 P K T 3 S+ 0 0 51 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.834 123.1 31.6 -43.9 -42.0 1.4 23.0 -4.5 8 666 P W T > S+ 0 0 26 95,-0.3 3,-2.1 1,-0.2 -1,-0.3 0.340 84.0 110.2-108.8 3.8 4.8 23.3 -2.9 9 667 P A T < S+ 0 0 15 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.690 82.7 46.1 -54.8 -23.9 6.6 25.5 -5.4 10 668 P S T 3 S+ 0 0 118 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.3 0.300 90.3 100.0-108.3 10.6 6.7 28.4 -3.0 11 669 P L < 0 0 46 -3,-2.1 327,-0.1 1,-0.1 -3,-0.0 -0.736 360.0 360.0 -92.4 149.2 7.9 26.5 0.1 12 670 P W 0 0 224 -2,-0.3 328,-2.5 328,-0.1 329,-0.1 -0.410 360.0 360.0 -71.4 360.0 11.5 26.6 1.1 13 !* 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 14 2 L L 0 0 35 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 138.2 6.9 22.9 -20.6 15 3 L Q - 0 0 134 94,-0.1 23,-1.7 2,-0.0 2,-0.5 -0.978 360.0-159.8-121.2 133.6 9.0 20.3 -22.3 16 4 L L E -B 37 0B 17 -2,-0.4 2,-0.5 94,-0.3 96,-0.3 -0.962 13.5-164.1-107.7 124.0 11.4 18.0 -20.7 17 5 L T E -B 36 0B 82 19,-2.6 19,-2.4 -2,-0.5 2,-0.4 -0.934 2.0-164.7-116.0 120.6 14.0 16.6 -23.0 18 6 L Q E -B 35 0B 13 -2,-0.5 17,-0.2 17,-0.2 94,-0.0 -0.819 17.3-129.4-102.7 141.3 16.1 13.6 -22.2 19 7 L S E S+B 34 0B 43 15,-2.0 15,-2.4 -2,-0.4 2,-0.1 -0.992 76.1 23.6-150.5 140.8 19.3 12.7 -24.0 20 8 L P - 0 0 51 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.657 62.9-156.5 -79.3 169.5 20.3 10.4 -25.2 21 9 L S S S+ 0 0 91 1,-0.2 94,-3.0 93,-0.2 2,-0.3 0.792 83.0 11.7 -68.2 -32.4 17.2 8.4 -26.0 22 10 L S E -e 115 0C 27 92,-0.3 2,-0.3 75,-0.1 -1,-0.2 -0.991 67.5-179.7-146.3 147.0 19.3 5.3 -26.1 23 11 L L E -e 116 0C 31 92,-2.1 94,-1.8 -2,-0.3 2,-0.3 -0.978 20.3-134.4-153.5 145.7 22.7 4.3 -25.0 24 12 L S E +e 117 0C 29 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.709 34.7 159.1 -94.8 145.0 24.9 1.2 -25.0 25 13 L A E -e 118 0C 1 92,-1.9 94,-2.1 -2,-0.3 2,-0.3 -0.990 28.8-132.4-160.1 164.7 26.9 0.2 -22.0 26 14 L S > - 0 0 46 -2,-0.3 3,-2.2 92,-0.2 64,-0.3 -0.862 41.9 -84.3-122.7 156.2 28.7 -2.5 -20.2 27 15 L V T 3 S+ 0 0 78 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.305 118.6 28.1 -55.3 139.1 28.7 -3.7 -16.6 28 16 L G T 3 S+ 0 0 42 62,-2.8 -1,-0.3 1,-0.3 63,-0.1 0.296 94.5 130.0 88.6 -9.5 31.2 -1.6 -14.6 29 17 L D < - 0 0 58 -3,-2.2 61,-3.7 61,-0.2 2,-0.5 -0.309 56.4-131.3 -73.4 161.9 30.7 1.4 -16.9 30 18 L R - 0 0 167 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.966 30.1-171.9-114.0 125.4 29.9 4.9 -15.7 31 19 L I E - C 0 87B 10 56,-2.1 56,-2.3 -2,-0.5 2,-0.4 -0.886 15.1-157.8-126.5 154.7 27.0 6.5 -17.5 32 20 L T E - C 0 86B 54 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.989 5.8-169.9-134.4 125.1 25.5 9.9 -17.6 33 21 L I E - C 0 85B 1 52,-2.4 52,-2.8 -2,-0.4 2,-0.3 -0.920 13.1-148.4-117.2 139.7 21.9 10.8 -18.6 34 22 L T E -BC 19 84B 21 -15,-2.4 -15,-2.0 -2,-0.4 2,-0.4 -0.843 13.4-173.7-115.9 145.5 20.7 14.4 -19.2 35 23 L a E -BC 18 83B 0 48,-2.9 48,-2.4 -2,-0.3 2,-0.4 -0.988 7.2-172.4-135.3 122.9 17.4 16.1 -18.7 36 24 L R E -BC 17 82B 108 -19,-2.4 -19,-2.6 -2,-0.4 2,-0.4 -0.954 11.9-146.4-116.0 140.6 16.8 19.7 -19.8 37 25 L A E -B 16 0B 9 44,-1.9 -21,-0.2 -2,-0.4 4,-0.1 -0.815 18.5-131.3-104.2 144.1 13.7 21.8 -19.0 38 26 L S S S+ 0 0 69 -23,-1.7 2,-0.3 -2,-0.4 -1,-0.1 0.768 96.5 12.1 -64.9 -25.8 12.3 24.4 -21.5 39 27 L Q S S- 0 0 56 -24,-0.2 -1,-0.1 41,-0.1 41,-0.0 -0.971 106.2 -67.4-146.4 162.8 12.1 26.7 -18.5 40 28 L G + 0 0 35 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.177 37.7 175.3 -57.2 131.7 13.5 26.7 -14.9 41 29 L V > - 0 0 0 39,-2.8 3,-2.3 1,-0.4 62,-0.2 0.006 33.2-140.5-119.8 26.8 12.0 24.2 -12.5 42 30 L T T 3 - 0 0 52 1,-0.3 38,-2.6 37,-0.1 -1,-0.4 -0.244 66.8 -36.2 45.2-122.6 14.3 25.0 -9.6 43 31 L S T 3 S+ 0 0 28 36,-0.2 2,-2.2 -3,-0.1 -1,-0.3 0.268 102.4 120.2-107.6 10.0 15.3 21.7 -8.0 44 32 L A < + 0 0 0 -3,-2.3 59,-2.3 18,-0.2 60,-0.6 -0.431 42.8 119.7 -81.0 71.4 11.9 20.0 -8.5 45 33 L L E -F 102 0C 0 -2,-2.2 18,-3.4 57,-0.2 2,-0.3 -0.999 39.5-169.4-142.4 129.0 13.2 17.1 -10.6 46 34 L A E -F 101 0C 0 55,-2.6 55,-1.8 -2,-0.4 2,-0.4 -0.904 8.7-150.8-120.3 154.0 13.0 13.3 -10.0 47 35 L W E -FG 100 60C 0 13,-2.0 12,-3.3 -2,-0.3 13,-1.3 -0.970 15.2-175.1-121.9 138.8 14.7 10.3 -11.7 48 36 L Y E -FG 99 58C 0 51,-2.5 51,-1.8 -2,-0.4 2,-0.4 -0.946 17.7-143.1-130.6 151.3 13.2 6.8 -11.9 49 37 L R E -FG 98 57C 6 8,-2.7 8,-2.3 -2,-0.3 2,-0.5 -0.947 17.3-168.2-109.5 134.8 14.4 3.5 -13.2 50 38 L Q E -F 97 0C 19 47,-3.1 47,-2.2 -2,-0.4 3,-0.1 -0.954 4.7-161.2-125.5 118.7 11.9 1.2 -14.9 51 39 L K > - 0 0 67 -2,-0.5 3,-2.1 4,-0.4 45,-0.1 -0.663 44.3 -81.6 -89.8 154.6 12.6 -2.4 -15.8 52 40 L P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.265 116.5 11.5 -58.0 134.7 10.4 -4.2 -18.4 53 41 L G T 3 S+ 0 0 92 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.427 113.3 92.9 77.3 0.4 7.1 -5.3 -16.9 54 42 L S S < S- 0 0 52 -3,-2.1 -1,-0.2 1,-0.0 3,-0.1 -0.841 78.9-101.5-121.2 160.2 7.5 -3.3 -13.6 55 43 L P - 0 0 39 0, 0.0 -4,-0.4 0, 0.0 296,-0.1 -0.386 52.4 -85.0 -69.7 157.3 6.5 0.1 -12.3 56 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.264 42.4-146.1 -53.2 147.0 9.0 3.0 -12.3 57 45 L Q E -G 49 0C 84 -8,-2.3 -8,-2.7 -3,-0.1 2,-0.2 -0.987 17.2-115.7-122.4 133.7 11.2 3.1 -9.2 58 46 L L E +G 48 0C 5 289,-0.4 -10,-0.3 -2,-0.4 3,-0.1 -0.467 37.3 164.9 -70.3 130.3 12.4 6.3 -7.6 59 47 L L E + 0 0 1 -12,-3.3 8,-2.1 1,-0.4 2,-0.4 0.781 66.7 13.2-103.0 -53.4 16.2 6.9 -7.6 60 48 L I E -GH 47 66C 0 -13,-1.3 -13,-2.0 6,-0.2 -1,-0.4 -0.979 61.1-168.4-133.4 136.1 16.6 10.6 -6.9 61 49 L Y E >> S+ H 0 65C 49 4,-2.2 4,-2.1 -2,-0.4 3,-0.5 -0.875 71.5 20.8-121.1 159.7 14.2 13.3 -5.6 62 50 L D T 34 S- 0 0 30 282,-1.9 2,-2.1 -2,-0.3 -1,-0.2 0.895 123.0 -74.6 51.0 43.0 14.6 17.1 -5.5 63 51 L A T 34 S+ 0 0 2 -18,-3.4 -1,-0.3 281,-0.3 21,-0.2 -0.115 127.4 23.0 74.7 -43.9 17.3 16.9 -8.2 64 52 L S T <4 S+ 0 0 76 -2,-2.1 12,-0.4 -3,-0.5 2,-0.4 0.465 86.6 114.9-135.2 -5.8 20.1 15.6 -6.1 65 53 L S E < -H 61 0C 32 -4,-2.1 -4,-2.2 10,-0.1 2,-0.6 -0.591 60.4-131.0 -84.3 129.5 18.7 13.8 -3.0 66 54 L L E -H 60 0C 78 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.661 23.8-124.2 -81.3 117.7 19.3 10.1 -2.9 67 55 L E > - 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