==== 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 18-APR-10 3MLU . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 255 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 452 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 56 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.7 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+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 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 . 1 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 0 PARALLEL BRIDGES PER LADDER . 8 3 7 2 4 7 1 0 2 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 1 4 3 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 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 2 L Y 0 0 64 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0-167.1 -3.6 19.9 -15.7 2 3 L L - 0 0 137 103,-0.1 2,-0.5 20,-0.1 22,-0.5 -0.968 360.0-118.3-143.1 155.6 -4.0 16.4 -14.2 3 4 L L - 0 0 5 103,-0.4 105,-0.4 -2,-0.3 2,-0.4 -0.846 27.6-156.9 -97.8 127.9 -4.4 12.8 -15.4 4 5 L T B +A 22 0A 82 18,-2.6 18,-1.9 -2,-0.5 103,-0.1 -0.837 14.4 174.6-107.3 141.4 -7.6 10.9 -14.4 5 6 L Q - 0 0 7 -2,-0.4 16,-0.1 16,-0.2 103,-0.1 -0.998 41.8 -95.8-143.8 149.3 -7.9 7.2 -14.2 6 7 L P - 0 0 35 0, 0.0 105,-0.1 0, 0.0 3,-0.0 -0.490 35.5-133.4 -61.7 121.9 -10.6 4.7 -13.2 7 8 L P S S+ 0 0 110 0, 0.0 104,-1.8 0, 0.0 2,-0.3 0.722 84.8 4.2 -50.4 -21.7 -9.7 3.9 -9.6 8 9 L S E -d 111 0B 70 102,-0.3 2,-0.3 75,-0.0 104,-0.2 -0.990 62.5-161.8-164.3 155.3 -10.2 0.2 -10.5 9 11 L V E -d 112 0B 23 102,-2.5 104,-3.8 -2,-0.3 2,-0.4 -0.992 6.7-154.6-145.6 144.5 -11.0 -2.1 -13.4 10 12 L S E +d 113 0B 67 -2,-0.3 2,-0.4 102,-0.2 104,-0.2 -0.982 14.5 169.5-127.0 132.0 -12.2 -5.6 -13.7 11 13 L V E -d 114 0B 7 102,-2.1 104,-1.6 -2,-0.4 6,-0.1 -0.998 34.2-120.3-135.9 138.0 -11.8 -8.1 -16.5 12 14 L S > - 0 0 47 -2,-0.4 3,-1.8 102,-0.2 64,-0.2 -0.541 53.2 -79.2 -71.9 145.1 -12.6 -11.8 -16.5 13 15 L P T 3 S+ 0 0 65 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 0.096 117.0 18.4 -42.4 156.4 -9.5 -14.0 -17.2 14 16 L G T 3 S+ 0 0 58 62,-2.9 61,-0.5 1,-0.2 2,-0.1 0.485 108.0 110.7 58.8 2.1 -8.4 -14.4 -20.8 15 17 L Q S < S- 0 0 99 -3,-1.8 61,-1.8 60,-0.2 2,-0.6 -0.413 74.1 -91.1-106.3-179.3 -10.4 -11.2 -21.7 16 18 L T - 0 0 87 59,-0.1 2,-0.4 58,-0.1 58,-0.2 -0.807 31.6-167.4 -99.0 116.6 -9.7 -7.7 -22.7 17 19 L A E - B 0 73A 3 56,-2.0 56,-2.5 -2,-0.6 2,-0.4 -0.868 4.5-160.2 -95.1 135.2 -9.3 -4.9 -20.1 18 20 L S E - B 0 72A 76 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.961 4.6-168.9-107.5 131.7 -9.2 -1.3 -21.3 19 21 L I E - B 0 71A 0 52,-3.3 52,-3.3 -2,-0.4 2,-0.1 -0.986 11.5-155.7-121.0 122.6 -7.8 1.3 -18.9 20 22 L S E - B 0 70A 42 -2,-0.5 2,-0.3 50,-0.2 50,-0.2 -0.378 10.5-163.7 -93.7 169.4 -8.3 4.9 -19.8 21 23 L a E - B 0 69A 0 48,-1.1 48,-2.9 -16,-0.1 2,-0.5 -0.856 7.2-165.6-155.3 116.9 -6.5 8.1 -19.0 22 24 L S E +AB 4 68A 49 -18,-1.9 -18,-2.6 -2,-0.3 2,-0.3 -0.901 15.4 159.3-112.7 127.6 -7.9 11.6 -19.3 23 25 L G - 0 0 7 44,-2.4 3,-0.4 -2,-0.5 4,-0.2 -0.991 45.1-123.9-142.8 152.4 -6.0 14.9 -19.3 24 26 L D S S+ 0 0 122 -22,-0.5 3,-0.2 -2,-0.3 -1,-0.1 0.770 113.8 32.8 -70.0 -24.6 -6.7 18.4 -20.5 25 27 L K S > S+ 0 0 85 1,-0.1 3,-2.3 -23,-0.1 -1,-0.2 0.492 84.2 103.1-103.1 -4.5 -3.5 18.4 -22.7 26 28 L L T 3 + 0 0 0 -3,-0.4 3,-0.4 41,-0.3 -1,-0.1 0.549 62.3 84.3 -63.3 -1.8 -3.2 14.7 -23.7 27 29 L D T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -4,-0.2 39,-0.2 0.584 111.8 15.8 -69.8 -7.5 -4.5 15.7 -27.1 28 30 L D S < S+ 0 0 55 -3,-2.3 2,-0.4 1,-0.1 -1,-0.2 0.125 107.6 93.4-157.6 25.6 -0.9 16.6 -27.8 29 31 L K S S- 0 0 11 -3,-0.4 420,-0.2 420,-0.2 -1,-0.1 -0.979 72.9-115.3-133.5 126.7 1.3 14.9 -25.2 30 32 L Y - 0 0 30 418,-0.8 2,-0.3 -2,-0.4 59,-0.2 -0.297 33.7-150.0 -52.3 123.9 3.0 11.6 -25.4 31 33 L V - 0 0 0 57,-0.1 18,-1.8 -5,-0.1 2,-0.3 -0.692 9.8-164.0 -98.8 155.4 1.6 9.3 -22.7 32 34 L S E -F 87 0C 3 55,-1.6 55,-1.8 -2,-0.3 2,-0.4 -0.974 8.5-145.0-133.9 146.6 3.6 6.5 -20.9 33 35 L W E -FG 86 46C 0 13,-1.8 12,-2.9 -2,-0.3 13,-1.1 -0.911 12.4-163.3-119.3 141.7 2.1 3.6 -18.9 34 36 L Y E -FG 85 44C 0 51,-1.5 51,-1.1 -2,-0.4 2,-0.4 -0.900 8.4-146.4-126.3 152.6 3.6 1.9 -15.8 35 37 L Y E +FG 84 43C 30 8,-2.7 8,-2.8 -2,-0.3 2,-0.3 -0.892 16.3 177.8-110.6 145.4 3.1 -1.4 -13.9 36 38 L Q E -F 83 0C 6 47,-1.5 47,-2.1 -2,-0.4 5,-0.1 -0.828 14.2-161.1-150.4 118.7 3.4 -1.9 -10.2 37 39 L R > - 0 0 87 4,-0.3 3,-1.9 -2,-0.3 45,-0.1 -0.736 49.9 -85.0 -84.6 139.0 2.8 -4.9 -8.0 38 40 L P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.194 117.4 8.5 -36.6 122.8 2.3 -4.3 -4.3 39 41 L G T 3 S+ 0 0 53 1,-0.3 2,-0.0 -3,-0.1 -2,-0.0 -0.098 114.9 96.1 91.8 -32.8 5.7 -4.0 -2.7 40 42 L Q S < S- 0 0 129 -3,-1.9 -1,-0.3 1,-0.1 295,-0.0 -0.165 77.9 -93.3 -87.1 179.1 7.5 -4.0 -6.0 41 43 L S - 0 0 30 1,-0.1 -4,-0.3 -3,-0.1 -1,-0.1 -0.655 44.0 -89.6-100.3 150.9 8.8 -1.2 -8.2 42 44 L P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.184 38.7-151.9 -56.9 140.1 7.1 0.6 -11.2 43 45 L V E -G 35 0C 65 -8,-2.8 -8,-2.7 289,-0.0 2,-0.2 -0.970 14.8-123.8-120.9 128.7 7.6 -0.9 -14.6 44 46 L L E +G 34 0C 8 -2,-0.5 -10,-0.2 287,-0.2 3,-0.1 -0.490 36.5 164.0 -62.9 136.1 7.6 0.9 -17.9 45 47 L L E + 0 0 12 -12,-2.9 2,-0.3 1,-0.5 -11,-0.2 0.567 62.2 6.8-121.9 -27.2 5.0 -0.6 -20.2 46 48 L M E -G 33 0C 0 -13,-1.1 -13,-1.8 6,-0.2 -1,-0.5 -0.977 57.7-179.6-168.7 141.0 4.4 1.9 -22.9 47 49 L Y B > +I 51 0D 23 4,-1.3 4,-1.7 -2,-0.3 3,-0.5 -0.981 65.3 29.5-155.8 151.5 5.9 5.2 -24.0 48 50 L Q T >4 S- 0 0 9 280,-0.3 2,-3.7 -2,-0.3 3,-0.9 0.989 124.6 -67.8 55.0 60.4 5.2 7.8 -26.7 49 51 L D T 34 S+ 0 0 32 -18,-1.8 -1,-0.2 1,-0.3 21,-0.1 -0.126 129.3 11.3 64.0 -49.7 1.5 6.8 -26.8 50 52 L F T 34 S+ 0 0 127 -2,-3.7 2,-0.6 -3,-0.5 12,-0.3 0.503 85.8 124.4-135.5 -12.0 2.0 3.3 -28.2 51 53 L K B << -I 47 0D 36 -4,-1.7 -4,-1.3 -3,-0.9 -2,-0.1 -0.426 46.8-149.0 -74.1 111.2 5.7 2.3 -28.1 52 54 L R - 0 0 101 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.628 15.7-133.6 -72.3 124.1 6.2 -1.0 -26.3 53 55 L P > - 0 0 14 0, 0.0 3,-1.2 0, 0.0 -1,-0.0 -0.494 45.2 -75.3 -69.8 155.3 9.7 -1.0 -24.6 54 56 L S T 3 S+ 0 0 123 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.167 117.7 29.8 -59.6 142.6 11.5 -4.2 -25.2 55 57 L G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.388 88.9 117.3 91.1 -1.0 10.5 -7.3 -23.2 56 58 L I S < S- 0 0 27 -3,-1.2 -1,-0.3 1,-0.1 -4,-0.1 -0.920 70.0-111.8-108.0 123.0 6.9 -6.1 -23.0 57 59 L P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.039 12.1-122.8 -61.4 148.8 4.4 -8.5 -24.8 58 60 L E T 3 S+ 0 0 158 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.758 104.8 76.3 -62.5 -23.1 2.5 -7.7 -27.9 59 61 L R T 3 S+ 0 0 69 14,-0.1 15,-2.5 16,-0.1 2,-0.5 0.765 83.2 75.2 -63.8 -23.3 -0.8 -8.5 -26.0 60 62 L L E < +C 73 0A 12 -3,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.766 69.3 179.9 -85.2 130.4 -0.4 -5.1 -24.3 61 63 L S E -C 72 0A 55 11,-3.5 11,-3.2 -2,-0.5 2,-0.4 -0.962 15.8-151.1-136.7 154.8 -1.3 -2.2 -26.6 62 64 L G E +C 71 0A 12 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.980 20.2 160.0-134.1 129.6 -1.4 1.6 -26.3 63 65 L S E -C 70 0A 59 7,-2.6 7,-3.2 -2,-0.4 2,-0.3 -0.892 18.7-158.2-140.7 167.0 -3.6 4.2 -28.0 64 66 L K E -C 69 0A 44 5,-0.3 2,-0.5 -2,-0.3 5,-0.3 -0.796 7.5-179.5-155.6 110.4 -4.7 7.7 -27.5 65 67 L S E > -C 68 0A 100 3,-1.3 3,-1.5 -2,-0.3 2,-0.2 -0.944 64.4 -35.9-110.0 124.5 -7.7 9.5 -29.0 66 68 L G T 3 S- 0 0 46 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.485 124.0 -24.3 70.6-136.0 -8.4 13.1 -28.2 67 69 L K T 3 S+ 0 0 91 -2,-0.2 -44,-2.4 -40,-0.1 2,-0.4 0.186 125.3 89.0 -94.7 17.0 -7.4 14.0 -24.6 68 70 L T E < -BC 22 65A 57 -3,-1.5 -3,-1.3 -46,-0.2 2,-0.4 -0.954 56.4-169.5-119.9 128.4 -7.9 10.4 -23.7 69 71 L A E -BC 21 64A 0 -48,-2.9 -48,-1.1 -2,-0.4 2,-0.4 -0.924 11.1-151.6-116.0 145.7 -5.2 7.7 -23.8 70 72 L T E -BC 20 63A 35 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.5 -0.955 12.6-156.8-125.1 133.9 -5.9 4.0 -23.4 71 73 L L E -BC 19 62A 0 -52,-3.3 -52,-3.3 -2,-0.4 2,-0.4 -0.910 22.0-168.1 -93.9 127.2 -4.0 1.1 -22.2 72 74 L T E -BC 18 61A 26 -11,-3.2 -11,-3.5 -2,-0.5 2,-0.5 -0.979 9.2-174.0-118.1 135.2 -5.4 -2.1 -23.6 73 75 L I E -BC 17 60A 5 -56,-2.5 -56,-2.0 -2,-0.4 3,-0.3 -0.970 4.6-170.7-124.7 114.4 -4.4 -5.6 -22.4 74 76 L S + 0 0 52 -15,-2.5 -59,-0.2 -2,-0.5 -58,-0.1 -0.536 68.7 31.4 -90.0 171.0 -5.7 -8.6 -24.3 75 77 L G S S- 0 0 34 -61,-0.5 -1,-0.2 -2,-0.2 -60,-0.2 0.882 87.0-157.3 52.5 49.1 -5.4 -12.2 -23.0 76 78 L T + 0 0 2 -61,-1.8 -62,-2.9 -3,-0.3 2,-0.3 -0.149 16.2 178.3 -66.4 151.7 -5.6 -11.1 -19.4 77 79 L Q > - 0 0 105 -64,-0.2 3,-3.2 -63,-0.1 4,-0.3 -0.974 47.8 -99.9-149.8 154.4 -4.2 -13.2 -16.6 78 80 L S G > S+ 0 0 70 1,-0.3 3,-1.8 -2,-0.3 36,-0.1 0.827 119.2 69.4 -42.0 -36.5 -3.7 -13.3 -12.8 79 81 L L G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.479 91.2 61.1 -64.5 -2.2 -0.1 -12.2 -13.6 80 82 L D G < S+ 0 0 13 -3,-3.2 -1,-0.3 2,-0.0 2,-0.2 0.512 73.9 118.5-103.8 -8.3 -1.6 -8.8 -14.8 81 83 L E < + 0 0 31 -3,-1.8 2,-0.3 -4,-0.3 32,-0.1 -0.421 45.2 75.3 -66.9 128.5 -3.1 -7.7 -11.4 82 84 L G B S-E 112 0B 1 30,-0.5 30,-3.0 -2,-0.2 2,-0.3 -0.965 82.5 -51.1 163.8-161.9 -1.6 -4.6 -10.0 83 85 L D E -F 36 0C 22 -47,-2.1 -47,-1.5 -2,-0.3 2,-0.4 -0.693 39.3-158.9-104.1 155.6 -1.8 -0.8 -10.6 84 86 L Y E -F 35 0C 8 26,-0.4 26,-0.9 -2,-0.3 2,-0.4 -0.997 7.5-166.0-139.2 129.4 -1.3 1.0 -13.9 85 87 L Y E -F 34 0C 6 -51,-1.1 -51,-1.5 -2,-0.4 2,-0.3 -0.951 11.4-149.5-124.9 129.6 -0.3 4.7 -14.2 86 88 L a E -F 33 0C 0 -2,-0.4 21,-3.3 -53,-0.2 2,-0.3 -0.725 22.0-175.6 -89.8 145.4 -0.4 7.1 -17.1 87 89 L Q E +FH 32 106C 0 -55,-1.8 -55,-1.6 -2,-0.3 2,-0.3 -0.921 12.0 155.6-134.9 163.4 2.2 9.8 -17.1 88 90 L A E - 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