==== 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 3MOB . 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 . 457 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 40.0 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 . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 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 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 8 2 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 0 213 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.8 -1.2 -30.1 -18.4 2 661 P L - 0 0 48 1,-0.1 2,-0.2 104,-0.0 0, 0.0 -0.382 360.0-112.7 -67.3 142.1 -1.6 -26.8 -16.6 3 662 P E E -A 105 0A 84 102,-0.5 102,-2.4 -2,-0.1 2,-0.2 -0.517 34.4-118.5 -70.3 139.8 -0.2 -26.5 -13.2 4 663 P L E -A 104 0A 74 100,-0.2 100,-0.3 -2,-0.2 -1,-0.1 -0.538 31.9 -99.6 -78.1 154.9 -2.8 -26.1 -10.5 5 664 P D > - 0 0 7 98,-2.9 3,-0.9 -2,-0.2 4,-0.2 -0.060 37.1-100.8 -68.7 170.1 -3.0 -23.0 -8.4 6 665 P K T 3 S+ 0 0 54 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.827 121.0 31.6 -63.4 -36.1 -1.5 -22.9 -4.9 7 666 P W T > S+ 0 0 24 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.185 82.4 111.6-110.5 15.9 -4.7 -23.4 -3.2 8 667 P A T < S+ 0 0 14 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.711 81.1 49.8 -63.9 -19.4 -6.5 -25.5 -5.7 9 668 P S T 3 S+ 0 0 116 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.075 91.3 96.2-111.4 23.5 -6.4 -28.4 -3.4 10 669 P L < 0 0 43 -3,-1.6 327,-0.1 1,-0.0 -3,-0.0 -0.857 360.0 360.0-113.2 147.6 -7.8 -26.7 -0.4 11 670 P W 0 0 229 -2,-0.3 328,-2.0 328,-0.1 329,-0.1 -0.443 360.0 360.0 -75.2 360.0 -11.4 -26.8 0.6 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 2 L L 0 0 49 0, 0.0 2,-0.3 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 158.8 -7.2 -22.7 -21.2 14 3 L Q - 0 0 127 94,-0.1 23,-1.6 2,-0.0 2,-0.5 -0.983 360.0-139.1-136.9 151.9 -8.9 -19.5 -22.3 15 4 L L E -B 36 0B 16 94,-0.4 2,-0.5 -2,-0.3 96,-0.3 -0.935 17.5-164.7-111.6 124.5 -11.5 -17.3 -20.9 16 5 L T E -B 35 0B 71 19,-2.6 19,-2.6 -2,-0.5 2,-0.4 -0.958 5.1-159.9-115.3 127.4 -14.0 -16.0 -23.3 17 6 L Q E -B 34 0B 11 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.882 14.3-124.9-113.6 132.9 -16.1 -13.1 -22.3 18 7 L S E S+B 33 0B 47 15,-2.1 15,-2.4 -2,-0.4 2,-0.1 -0.994 79.7 20.7-130.7 141.3 -19.4 -12.1 -23.8 19 8 L P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.691 60.6-158.0 -81.4 167.0 -20.3 -9.7 -25.0 20 9 L S S S+ 0 0 88 1,-0.2 94,-2.8 93,-0.2 2,-0.3 0.813 85.0 6.8 -64.9 -35.4 -17.3 -7.7 -26.0 21 10 L S E +e 114 0C 32 92,-0.3 2,-0.3 75,-0.0 -1,-0.2 -0.990 68.2 177.7-147.8 145.4 -19.3 -4.6 -25.9 22 11 L L E -e 115 0C 31 92,-2.1 94,-1.7 -2,-0.3 2,-0.3 -0.994 20.7-133.0-148.3 152.9 -22.8 -3.7 -24.8 23 12 L S E +e 116 0C 33 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.789 32.5 157.3-106.9 144.9 -25.0 -0.6 -24.6 24 13 L A E -e 117 0C 1 92,-2.0 94,-1.9 -2,-0.3 2,-0.3 -0.977 27.9-136.3-155.8 163.9 -27.1 0.3 -21.6 25 14 L S > - 0 0 49 -2,-0.3 3,-1.9 92,-0.2 64,-0.3 -0.869 46.5 -71.3-123.4 165.6 -28.7 3.2 -19.9 26 15 L V T 3 S+ 0 0 80 -2,-0.3 64,-0.2 1,-0.3 -1,-0.1 -0.100 119.3 25.3 -52.2 148.4 -28.9 4.2 -16.2 27 16 L G T 3 S+ 0 0 44 62,-3.4 -1,-0.3 1,-0.3 63,-0.1 0.462 93.3 136.4 72.9 0.6 -31.2 1.9 -14.1 28 17 L D < - 0 0 56 -3,-1.9 61,-2.8 61,-0.1 2,-0.5 -0.399 53.3-133.9 -73.1 156.4 -30.6 -0.9 -16.6 29 18 L R - 0 0 169 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.959 31.4-177.1-108.6 122.2 -30.0 -4.5 -15.5 30 19 L I E - C 0 86B 10 56,-2.0 56,-1.8 -2,-0.5 2,-0.4 -0.810 16.2-155.1-121.0 161.4 -27.1 -6.0 -17.5 31 20 L T E - C 0 85B 42 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.951 7.2-175.5-143.8 120.0 -25.4 -9.4 -17.6 32 21 L I E - C 0 84B 1 52,-2.1 52,-2.6 -2,-0.4 2,-0.3 -0.832 14.5-160.9-108.0 146.8 -21.9 -10.2 -18.7 33 22 L T E -BC 18 83B 29 -15,-2.4 -15,-2.1 -2,-0.3 2,-0.4 -0.896 9.6-157.0-132.6 162.6 -20.8 -13.8 -18.9 34 23 L a E -BC 17 82B 1 48,-2.6 48,-2.3 -2,-0.3 2,-0.4 -0.998 5.1-164.6-142.2 128.0 -17.5 -15.7 -18.9 35 24 L R E -BC 16 81B 118 -19,-2.6 -19,-2.6 -2,-0.4 2,-0.4 -0.954 9.6-149.6-117.3 139.1 -16.8 -19.2 -20.3 36 25 L A E -B 15 0B 13 44,-1.6 -21,-0.2 -2,-0.4 4,-0.0 -0.832 20.5-131.0-109.1 145.9 -13.7 -21.2 -19.6 37 26 L S S S+ 0 0 72 -23,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.827 95.8 11.5 -55.4 -36.9 -12.0 -23.8 -21.8 38 27 L Q S S- 0 0 81 -24,-0.1 2,-0.2 41,-0.1 -2,-0.0 -0.866 101.9 -71.5-135.8 170.8 -11.9 -26.2 -18.8 39 28 L G + 0 0 38 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.450 38.5 177.2 -65.5 130.5 -13.5 -26.4 -15.4 40 29 L V > - 0 0 0 39,-2.7 3,-2.1 1,-0.3 2,-0.2 0.054 31.1-139.7-119.8 26.2 -12.0 -23.9 -12.9 41 30 L T T 3 - 0 0 55 1,-0.3 38,-1.8 38,-0.1 -1,-0.3 -0.362 67.0 -38.5 52.5-114.1 -14.3 -24.7 -9.9 42 31 L S T 3 S+ 0 0 30 -2,-0.2 2,-2.4 36,-0.2 -1,-0.3 0.244 100.2 120.8-121.6 11.0 -15.2 -21.4 -8.3 43 32 L A < + 0 0 0 -3,-2.1 59,-2.6 18,-0.2 60,-0.5 -0.389 43.6 120.7 -81.6 66.6 -11.8 -19.6 -8.7 44 33 L L E -F 101 0C 0 -2,-2.4 18,-3.0 57,-0.2 2,-0.3 -0.994 39.0-171.9-136.6 130.9 -13.2 -16.8 -10.8 45 34 L A E -F 100 0C 0 55,-2.5 55,-2.1 -2,-0.4 2,-0.4 -0.894 11.3-145.2-123.6 158.6 -13.1 -13.1 -10.0 46 35 L W E -FG 99 59C 0 13,-2.3 12,-3.0 -2,-0.3 13,-1.3 -0.983 15.1-171.1-125.4 136.1 -14.7 -10.0 -11.6 47 36 L Y E -FG 98 57C 0 51,-3.3 51,-2.3 -2,-0.4 2,-0.5 -0.918 14.5-146.3-125.4 146.8 -13.2 -6.5 -11.9 48 37 L R E -FG 97 56C 25 8,-2.5 8,-2.0 -2,-0.3 2,-0.5 -0.946 14.8-167.0-110.2 130.6 -14.4 -3.1 -13.0 49 38 L Q E -F 96 0C 17 47,-3.4 47,-2.1 -2,-0.5 3,-0.1 -0.941 5.1-162.5-122.1 114.2 -12.0 -0.7 -14.7 50 39 L K > - 0 0 65 -2,-0.5 3,-2.8 4,-0.4 45,-0.1 -0.709 46.5 -84.8 -85.3 140.3 -12.8 3.0 -15.3 51 40 L P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.115 116.4 12.5 -49.3 134.7 -10.6 4.7 -17.9 52 41 L G T 3 S+ 0 0 89 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.351 112.9 100.0 80.3 -7.8 -7.3 5.9 -16.4 53 42 L S S < S- 0 0 54 -3,-2.8 -1,-0.3 1,-0.0 3,-0.1 -0.659 77.3-107.0-107.7 161.8 -7.9 3.9 -13.3 54 43 L P - 0 0 41 0, 0.0 -4,-0.4 0, 0.0 -6,-0.1 -0.608 50.9 -87.4 -78.9 151.5 -6.7 0.5 -12.0 55 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.136 42.9-146.7 -51.7 150.3 -9.1 -2.4 -12.0 56 45 L Q E -G 48 0C 90 -8,-2.0 -8,-2.5 291,-0.1 2,-0.2 -0.989 16.8-111.9-128.8 134.4 -11.2 -2.7 -8.9 57 46 L L E +G 47 0C 5 289,-0.7 -10,-0.2 -2,-0.4 3,-0.1 -0.421 39.9 161.0 -67.1 128.3 -12.5 -6.0 -7.3 58 47 L L E + 0 0 2 -12,-3.0 8,-2.4 1,-0.4 2,-0.4 0.770 65.9 12.4-102.4 -56.2 -16.2 -6.7 -7.5 59 48 L I E -GH 46 65C 1 -13,-1.3 -13,-2.3 6,-0.2 -1,-0.4 -0.981 60.8-171.9-133.3 134.9 -16.7 -10.4 -6.9 60 49 L Y E >> S+ H 0 64C 48 4,-2.5 4,-2.8 -2,-0.4 3,-0.6 -0.848 70.3 24.0-123.0 162.6 -14.3 -13.1 -5.8 61 50 L D T 34 S- 0 0 34 282,-1.5 2,-1.1 -2,-0.3 -16,-0.2 0.821 123.4 -76.9 52.4 31.4 -14.6 -16.9 -5.6 62 51 L A T 34 S+ 0 0 1 -18,-3.0 -1,-0.3 281,-0.3 21,-0.2 -0.072 127.8 27.8 77.7 -35.4 -17.3 -16.6 -8.4 63 52 L S T <4 S+ 0 0 76 -2,-1.1 2,-0.6 -3,-0.6 12,-0.4 0.413 86.4 111.1-136.9 3.8 -20.1 -15.4 -6.1 64 53 L S E < -H 60 0C 35 -4,-2.8 -4,-2.5 276,-0.1 2,-0.3 -0.736 60.2-132.4 -97.0 122.4 -18.7 -13.5 -3.1 65 54 L L E -H 59 0C 71 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.2 -0.488 24.3-119.9 -69.0 123.1 -19.3 -9.8 -2.9 66 55 L E > - 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