==== 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 3MLR . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 255 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 459 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 65.6 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 . 181 39.4 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 . 2 0.4 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 . 51 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.6 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+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 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 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 . 4 2 7 3 4 6 4 1 1 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 . 1 1 3 2 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 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 1 L S 0 0 80 0, 0.0 90,-0.1 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 -53.0 -0.4 20.6 -15.2 2 2 L Y - 0 0 21 1,-0.1 2,-0.2 104,-0.0 22,-0.0 -0.125 360.0-106.0 -50.3 141.9 -3.7 19.2 -16.5 3 3 L D - 0 0 132 103,-0.1 2,-0.6 1,-0.0 22,-0.4 -0.461 22.3-142.2 -74.9 144.2 -5.1 16.4 -14.5 4 4 L L - 0 0 5 103,-0.5 105,-0.7 -2,-0.2 2,-0.5 -0.942 17.8-154.9-108.5 118.0 -5.1 12.8 -15.8 5 5 L T B +A 23 0A 86 18,-3.0 18,-2.3 -2,-0.6 103,-0.1 -0.823 16.9 172.5-100.6 128.7 -8.2 10.9 -14.9 6 6 L Q - 0 0 11 -2,-0.5 16,-0.2 16,-0.2 103,-0.1 -0.937 41.1-102.3-129.1 151.9 -8.3 7.1 -14.7 7 7 L P - 0 0 37 0, 0.0 105,-0.1 0, 0.0 3,-0.1 -0.568 29.5-136.7 -71.1 132.7 -11.1 4.7 -13.5 8 8 L P S S+ 0 0 106 0, 0.0 104,-2.6 0, 0.0 2,-0.3 0.832 82.8 22.3 -62.9 -25.6 -10.1 3.7 -9.9 9 9 L S E -d 112 0B 83 102,-0.2 2,-0.4 2,-0.0 104,-0.2 -0.997 55.5-176.4-146.7 146.3 -11.1 0.1 -10.7 10 11 L V E -d 113 0B 25 102,-2.1 104,-2.7 -2,-0.3 2,-0.3 -0.995 12.1-161.5-139.2 130.1 -11.6 -2.3 -13.6 11 12 L S E +d 114 0B 74 -2,-0.4 2,-0.3 102,-0.2 104,-0.2 -0.871 14.1 171.2-112.6 146.9 -12.8 -5.9 -13.3 12 13 L V E -d 115 0B 11 102,-1.9 104,-2.4 -2,-0.3 6,-0.1 -0.993 31.6-118.4-152.5 152.6 -12.4 -8.6 -16.0 13 14 L S > - 0 0 46 -2,-0.3 3,-2.1 102,-0.2 64,-0.2 -0.756 50.4 -88.5 -92.9 142.5 -13.0 -12.3 -16.4 14 15 L P T 3 S+ 0 0 65 0, 0.0 64,-0.2 0, 0.0 3,-0.1 -0.165 113.1 18.8 -49.5 133.2 -9.9 -14.5 -17.1 15 16 L G T 3 S+ 0 0 53 62,-2.8 61,-0.7 1,-0.4 63,-0.1 0.116 104.8 103.4 91.5 -23.2 -9.2 -14.8 -20.8 16 17 L Q S < S- 0 0 117 -3,-2.1 61,-1.8 60,-0.2 2,-0.4 -0.355 78.1 -97.2 -87.2 172.1 -11.3 -11.8 -21.7 17 18 L T - 0 0 82 58,-0.2 2,-0.4 59,-0.2 58,-0.2 -0.740 30.5-160.6 -95.7 138.1 -10.0 -8.3 -22.6 18 19 L A E - B 0 74A 4 56,-2.6 56,-3.0 -2,-0.4 2,-0.4 -0.930 3.4-159.7-115.6 141.1 -9.7 -5.5 -20.2 19 20 L S E - B 0 73A 64 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.975 2.1-164.7-123.1 134.0 -9.5 -1.8 -21.2 20 21 L I E - B 0 72A 0 52,-2.7 52,-2.7 -2,-0.4 2,-0.2 -0.977 12.0-151.4-121.9 123.1 -8.2 1.0 -18.9 21 22 L S E - B 0 71A 39 -2,-0.5 2,-0.3 50,-0.2 50,-0.2 -0.492 12.5-172.7 -92.8 161.5 -8.8 4.6 -19.8 22 23 L a E - B 0 70A 0 48,-1.5 48,-3.1 -2,-0.2 2,-0.4 -0.901 10.5-170.6-153.3 116.4 -6.8 7.8 -19.1 23 24 L S E +AB 5 69A 43 -18,-2.3 -18,-3.0 -2,-0.3 2,-0.3 -0.925 13.2 156.1-118.9 142.1 -8.2 11.2 -20.0 24 25 L G > - 0 0 8 44,-1.8 3,-1.2 -2,-0.4 4,-0.4 -0.968 47.6-115.0-160.7 144.3 -6.6 14.6 -19.9 25 26 L D T 3 S+ 0 0 118 -22,-0.4 3,-0.2 -2,-0.3 -1,-0.1 0.785 115.5 32.3 -52.6 -34.1 -7.1 18.0 -21.6 26 27 L K T > S+ 0 0 81 1,-0.1 3,-2.1 2,-0.1 4,-0.3 0.413 85.9 104.7-106.6 4.2 -3.8 17.9 -23.6 27 28 L L G X + 0 0 0 -3,-1.2 3,-1.3 1,-0.3 -1,-0.1 0.782 66.0 73.2 -55.5 -29.8 -3.5 14.2 -24.1 28 29 L D G 3 S+ 0 0 86 -4,-0.4 -1,-0.3 1,-0.3 39,-0.1 0.718 113.9 25.1 -59.7 -19.4 -4.5 14.5 -27.8 29 30 L D G < S+ 0 0 68 -3,-2.1 2,-0.4 426,-0.1 -1,-0.3 0.171 109.9 85.7-129.4 17.6 -1.1 16.0 -28.5 30 31 L K S < S- 0 0 10 -3,-1.3 425,-0.3 -4,-0.3 2,-0.1 -0.977 78.9-117.2-123.5 131.0 0.9 14.5 -25.7 31 32 L Y - 0 0 27 423,-2.5 2,-0.4 -2,-0.4 59,-0.3 -0.424 31.0-147.8 -65.9 136.9 2.7 11.1 -25.7 32 33 L V - 0 0 0 -2,-0.1 18,-2.8 57,-0.1 2,-0.3 -0.858 13.0-169.9-110.9 142.2 1.3 8.8 -23.1 33 34 L S E -E 88 0B 2 55,-2.5 55,-2.3 -2,-0.4 2,-0.4 -0.892 9.9-146.8-124.1 155.6 3.2 6.1 -21.2 34 35 L W E -EF 87 47B 0 13,-2.2 12,-2.9 -2,-0.3 13,-1.4 -0.964 9.4-166.3-127.7 145.2 1.8 3.3 -19.0 35 36 L Y E -EF 86 45B 0 51,-2.5 51,-2.7 -2,-0.4 2,-0.4 -0.969 8.6-148.6-132.0 146.5 3.3 1.7 -15.9 36 37 L Y E -EF 85 44B 39 8,-2.7 8,-2.2 -2,-0.3 2,-0.4 -0.879 13.7-175.1-111.7 142.6 2.4 -1.5 -13.9 37 38 L Q E -E 84 0B 8 47,-2.4 47,-2.6 -2,-0.4 3,-0.1 -0.929 12.0-156.5-144.6 119.6 2.9 -1.9 -10.2 38 39 L R > - 0 0 96 4,-0.4 3,-2.8 -2,-0.4 45,-0.1 -0.687 50.6 -78.0 -88.6 143.6 2.3 -4.9 -8.1 39 40 L P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.111 117.2 5.0 -43.6 126.5 1.7 -4.3 -4.3 40 41 L G T 3 S+ 0 0 59 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.348 113.0 102.0 79.8 -7.0 4.9 -3.5 -2.5 41 42 L Q S < S- 0 0 122 -3,-2.8 -1,-0.3 1,-0.1 295,-0.0 -0.511 76.7 -94.8-104.7 174.1 7.0 -3.6 -5.7 42 43 L S - 0 0 28 -2,-0.2 -4,-0.4 1,-0.1 -1,-0.1 -0.544 48.0 -93.8 -86.5 153.4 8.5 -0.9 -8.0 43 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.229 36.1-150.3 -62.9 155.6 6.7 0.4 -11.1 44 45 L V E -F 36 0B 72 -8,-2.2 -8,-2.7 289,-0.1 2,-0.3 -0.998 17.7-117.3-132.6 131.7 7.4 -1.3 -14.5 45 46 L L E +F 35 0B 8 -2,-0.4 -10,-0.2 287,-0.3 3,-0.1 -0.524 37.3 165.7 -70.0 127.2 7.3 0.5 -17.9 46 47 L L E + 0 0 15 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.684 61.0 3.4-111.3 -29.6 4.6 -1.2 -20.1 47 48 L M E -F 34 0B 0 -13,-1.4 -13,-2.2 6,-0.2 -1,-0.4 -0.992 55.9-177.7-160.7 148.7 4.1 1.3 -22.9 48 49 L Y B > +I 52 0C 27 4,-2.3 4,-2.6 -2,-0.3 3,-0.3 -0.950 66.4 32.1-147.7 165.0 5.4 4.6 -24.3 49 50 L Q T 4 S- 0 0 7 280,-0.4 2,-2.0 -2,-0.3 -16,-0.2 0.886 123.8 -73.8 51.7 40.6 4.7 7.1 -27.1 50 51 L D T 4 S+ 0 0 28 -18,-2.8 -1,-0.3 1,-0.2 21,-0.1 -0.283 127.6 22.3 74.0 -52.6 1.1 5.9 -26.8 51 52 L F T 4 S+ 0 0 121 -2,-2.0 2,-0.5 -3,-0.3 12,-0.3 0.364 88.6 113.5-129.8 4.9 1.4 2.5 -28.4 52 53 L K B < -I 48 0C 42 -4,-2.6 -4,-2.3 10,-0.1 -2,-0.1 -0.711 48.5-150.3 -92.2 128.6 5.0 1.3 -28.2 53 54 L R - 0 0 97 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.778 14.0-133.7 -93.8 130.1 6.0 -1.7 -26.1 54 55 L P > - 0 0 18 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.355 51.3 -66.7 -73.6 165.8 9.5 -1.8 -24.6 55 56 L S T 3 S+ 0 0 123 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.185 121.2 23.7 -55.1 141.4 11.4 -5.1 -25.0 56 57 L G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.161 85.3 123.3 91.8 -20.4 9.9 -8.0 -23.1 57 58 L I < - 0 0 26 -3,-1.7 -1,-0.3 1,-0.1 -4,-0.1 -0.668 67.3-113.7 -78.9 125.2 6.4 -6.7 -22.8 58 59 L P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.188 12.1-121.9 -60.7 147.0 3.9 -9.2 -24.4 59 60 L E T 3 S+ 0 0 167 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.675 104.6 76.3 -63.0 -18.9 2.0 -8.5 -27.6 60 61 L R T 3 S+ 0 0 67 14,-0.1 15,-2.9 16,-0.1 2,-0.5 0.611 85.1 75.0 -70.6 -9.1 -1.3 -9.1 -25.7 61 62 L L E < +C 74 0A 13 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.904 66.2 172.3-103.9 127.1 -0.8 -5.7 -24.2 62 63 L S E -C 73 0A 59 11,-2.7 11,-3.2 -2,-0.5 2,-0.4 -0.956 19.2-151.2-134.9 156.3 -1.6 -2.8 -26.5 63 64 L G E +C 72 0A 9 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.962 21.1 160.4-127.6 144.0 -1.8 1.0 -26.1 64 65 L S E -C 71 0A 61 7,-2.3 7,-2.9 -2,-0.4 2,-0.3 -0.910 20.8-147.7-149.8 176.7 -3.9 3.5 -28.1 65 66 L K E -C 70 0A 50 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.963 9.4-179.1-156.8 135.9 -5.3 7.0 -28.1 66 67 L S E > -C 69 0A 99 3,-2.9 3,-1.9 -2,-0.3 2,-0.1 -0.976 66.8 -40.1-137.3 119.9 -8.4 8.6 -29.4 67 68 L G T 3 S- 0 0 52 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.401 125.5 -20.0 62.8-135.9 -9.1 12.3 -28.9 68 69 L K T 3 S+ 0 0 99 -41,-0.1 -44,-1.8 -40,-0.1 2,-0.5 0.226 121.6 92.4 -89.3 14.9 -8.1 13.3 -25.3 69 70 L T E < -BC 23 66A 47 -3,-1.9 -3,-2.9 -46,-0.2 2,-0.3 -0.940 54.7-165.0-119.5 124.6 -8.3 9.7 -24.1 70 71 L A E -BC 22 65A 1 -48,-3.1 -48,-1.5 -2,-0.5 2,-0.4 -0.777 13.4-159.4 -99.4 145.5 -5.5 7.1 -24.0 71 72 L T E -BC 21 64A 28 -7,-2.9 -7,-2.3 -2,-0.3 2,-0.6 -0.989 13.2-158.8-133.7 132.6 -6.3 3.5 -23.5 72 73 L L E -BC 20 63A 0 -52,-2.7 -52,-2.7 -2,-0.4 2,-0.5 -0.937 18.1-163.5-106.7 123.4 -4.3 0.5 -22.3 73 74 L T E -BC 19 62A 32 -11,-3.2 -11,-2.7 -2,-0.6 2,-0.6 -0.940 9.1-168.8-116.5 125.0 -5.8 -2.8 -23.5 74 75 L I E -BC 18 61A 5 -56,-3.0 -56,-2.6 -2,-0.5 3,-0.4 -0.927 10.2-169.7-111.9 108.9 -4.9 -6.2 -22.0 75 76 L S + 0 0 44 -15,-2.9 -58,-0.2 -2,-0.6 -59,-0.1 -0.577 68.7 24.2 -94.6 162.4 -6.1 -9.2 -23.9 76 77 L G S S- 0 0 37 -61,-0.7 -1,-0.2 -2,-0.2 -60,-0.2 0.875 89.1-157.7 53.5 41.3 -6.1 -12.8 -22.6 77 78 L T - 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