==== 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 3MLY . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 307 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 912 6 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 358 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 89 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 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 RESIDUES PER ALPHA HELIX . 1 2 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 0 PARALLEL BRIDGES PER LADDER . 9 4 16 4 8 16 2 4 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 . 2 1 7 4 2 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 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 Q 0 0 221 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.8 8.4 14.4 13.9 2 2 L S - 0 0 67 2,-0.1 99,-0.1 1,-0.1 100,-0.1 -0.095 360.0-105.3 -63.8 166.9 10.6 11.7 12.3 3 3 L V S S+ 0 0 56 97,-0.1 2,-0.4 1,-0.1 98,-0.1 0.917 109.0 41.6 -63.1 -48.6 13.2 12.6 9.7 4 4 L L S S- 0 0 0 96,-0.5 98,-0.5 85,-0.1 2,-0.4 -0.886 79.5-157.1-101.6 136.4 11.2 11.2 6.7 5 5 L T B +A 23 0A 51 18,-2.6 18,-3.4 -2,-0.4 96,-0.1 -0.940 14.1 174.1-119.5 132.7 7.4 12.0 6.7 6 6 L Q - 0 0 17 -2,-0.4 16,-0.1 16,-0.2 96,-0.1 -0.952 41.6 -97.2-127.3 152.3 4.6 10.0 4.9 7 7 L P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 98,-0.1 -0.455 35.9-127.3 -64.2 140.1 0.8 10.4 4.9 8 8 L P S S+ 0 0 78 0, 0.0 97,-2.7 0, 0.0 2,-0.3 0.792 82.3 9.1 -63.6 -27.5 -0.5 7.8 7.4 9 9 L S E -d 105 0B 37 95,-0.3 2,-0.3 137,-0.1 97,-0.2 -0.999 52.6-177.3-156.4 151.1 -2.9 6.3 4.8 10 11 L V E -d 106 0B 31 95,-2.3 97,-2.2 -2,-0.3 2,-0.3 -0.972 14.5-178.1-141.0 150.5 -4.0 6.3 1.2 11 12 L S E +d 107 0B 26 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.997 10.2 160.1-151.5 154.0 -6.8 4.4 -0.4 12 13 L A E -d 108 0B 15 95,-1.6 97,-2.1 -2,-0.3 3,-0.1 -0.963 41.9 -88.9-162.8 165.0 -8.5 3.8 -3.8 13 14 L A > - 0 0 42 -2,-0.3 3,-2.2 95,-0.2 66,-0.2 -0.384 59.4 -79.5 -77.1 158.1 -10.8 1.3 -5.5 14 15 L P T 3 S+ 0 0 74 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 -0.275 120.2 26.6 -57.7 142.3 -9.4 -1.8 -7.2 15 16 L G T 3 S+ 0 0 53 64,-2.3 63,-0.4 1,-0.3 65,-0.1 0.256 101.6 108.8 88.0 -12.5 -8.1 -1.0 -10.7 16 17 L Q < - 0 0 116 -3,-2.2 63,-2.5 63,-0.1 -1,-0.3 -0.319 64.9-120.9 -89.0 175.4 -7.4 2.6 -9.7 17 18 L K - 0 0 153 60,-0.2 2,-0.3 61,-0.2 60,-0.2 -0.864 25.0-174.6-118.3 154.1 -4.0 4.2 -9.2 18 19 L V E - B 0 76A 16 58,-2.7 58,-2.5 -2,-0.3 2,-0.3 -0.940 13.0-147.5-138.4 162.7 -2.4 5.9 -6.2 19 20 L T E - B 0 75A 91 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.967 6.7-156.1-126.8 151.9 0.6 7.8 -5.1 20 21 L I E - B 0 74A 1 54,-2.4 54,-2.5 -2,-0.3 2,-0.2 -0.991 14.9-141.4-128.3 123.8 2.4 7.9 -1.8 21 22 L S E - B 0 73A 67 -2,-0.4 2,-0.4 52,-0.2 52,-0.2 -0.525 9.6-164.2 -84.8 149.8 4.6 10.9 -0.8 22 23 L a E - B 0 72A 0 50,-2.1 50,-2.1 -2,-0.2 2,-0.6 -0.954 12.1-159.3-132.5 108.7 7.9 10.8 1.1 23 24 L S E +AB 5 71A 67 -18,-3.4 -18,-2.6 -2,-0.4 48,-0.2 -0.824 25.9 148.1 -99.4 121.7 8.9 14.2 2.5 24 25 L G - 0 0 16 46,-2.1 2,-0.3 -2,-0.6 46,-0.1 -0.225 30.2-125.9-125.5-147.8 12.5 14.6 3.4 25 26 L S > > - 0 0 43 -2,-0.1 5,-2.2 44,-0.1 3,-1.8 -0.928 41.4 -76.1-160.1-180.0 15.2 17.3 3.5 26 27 L S T 3 5S+ 0 0 86 -2,-0.3 5,-0.0 1,-0.3 43,-0.0 0.781 122.4 61.5 -59.6 -26.0 18.6 18.4 2.3 27 27AL S T 3 5S+ 0 0 42 3,-0.1 67,-2.0 4,-0.1 -1,-0.3 0.609 123.2 8.6 -80.1 -11.4 20.2 16.0 4.9 28 27BL N T X>5S+ 0 0 0 -3,-1.8 4,-2.4 65,-0.2 3,-2.2 0.432 134.9 23.8-127.7 -89.1 18.6 12.9 3.4 29 28 L I T 345S+ 0 0 0 1,-0.3 -3,-0.2 41,-0.2 42,-0.1 0.833 116.8 65.0 -57.5 -33.6 16.7 12.8 0.1 30 29 L G T 34 - 0 0 70 -2,-0.5 3,-2.0 4,-0.4 45,-0.1 -0.811 46.9 -95.9 -86.5 131.5 2.2 -7.2 5.0 41 40 L P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.147 110.8 27.6 -52.8 139.3 1.7 -7.4 8.8 42 41 L G T 3 S+ 0 0 69 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.291 112.4 77.4 91.8 -9.7 3.4 -10.4 10.3 43 42 L T S < S- 0 0 73 -3,-2.0 -1,-0.3 1,-0.0 3,-0.1 -0.868 86.9 -86.9-130.4 166.2 6.1 -10.6 7.7 44 43 L A - 0 0 24 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.300 50.6 -95.3 -69.6 149.9 9.4 -8.8 6.8 45 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.338 39.5-142.0 -56.2 148.2 9.4 -5.6 4.6 46 45 L K E -F 38 0B 102 -8,-2.4 -8,-2.2 -3,-0.1 2,-0.3 -0.965 17.7-113.1-117.3 132.5 10.1 -6.4 1.0 47 46 L L E +F 37 0B 11 -2,-0.4 -10,-0.2 283,-0.4 3,-0.1 -0.491 41.1 164.9 -64.6 123.5 12.2 -4.2 -1.3 48 47 L L E + 0 0 1 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.745 64.1 12.4-104.4 -42.6 10.0 -2.6 -4.0 49 48 L I E -F 36 0B 0 -13,-1.3 -13,-2.6 6,-0.2 -1,-0.4 -0.995 60.7-178.3-142.1 140.4 12.1 0.3 -5.3 50 49 L Y B >> +I 54 0C 42 4,-2.4 4,-2.5 -2,-0.3 3,-0.6 -0.940 67.1 24.9-136.7 163.7 15.8 1.2 -5.0 51 50 L E T 34 S- 0 0 4 -2,-0.3 2,-2.1 1,-0.3 -16,-0.2 0.907 124.4 -72.2 46.0 48.3 17.9 4.1 -6.3 52 51 L N T 34 S+ 0 0 27 -18,-2.5 -1,-0.3 1,-0.2 21,-0.2 -0.195 127.8 21.4 74.1 -45.6 14.7 6.2 -6.5 53 52 L S T <4 S+ 0 0 74 -2,-2.1 12,-0.4 -3,-0.6 2,-0.3 0.404 90.1 110.1-139.0 -2.7 13.2 4.5 -9.5 54 53 L K B < -I 50 0C 84 -4,-2.5 -4,-2.4 10,-0.1 -2,-0.1 -0.646 49.5-146.3 -93.3 142.7 14.5 1.0 -10.0 55 54 L R - 0 0 112 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.879 13.0-131.5-105.7 131.8 12.6 -2.2 -9.5 56 55 L P > - 0 0 29 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.322 47.1 -79.5 -64.5 161.6 14.2 -5.5 -8.2 57 56 L S T 3 S+ 0 0 130 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.427 119.9 34.5 -60.3 139.3 13.3 -8.6 -10.2 58 57 L G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.108 87.7 111.5 102.6 -21.2 9.9 -9.9 -9.2 59 58 L I S < S- 0 0 7 -3,-1.5 -1,-0.3 -11,-0.1 -4,-0.1 -0.777 70.2-123.6 -89.0 121.5 8.4 -6.5 -8.6 60 59 L P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.235 18.4-113.8 -68.2 155.9 5.7 -5.8 -11.3 61 60 L D T 3 S+ 0 0 121 1,-0.3 -2,-0.0 -6,-0.0 -6,-0.0 0.503 105.3 80.3 -69.2 -5.8 6.0 -2.7 -13.5 62 61 L R T 3 S+ 0 0 39 15,-0.1 15,-2.2 16,-0.1 2,-0.5 0.562 81.4 77.6 -80.4 -5.4 2.8 -1.2 -12.0 63 62 L F E < +C 76 0A 6 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.882 66.3 168.1 -95.0 133.3 5.0 -0.1 -9.0 64 63 L S E -C 75 0A 59 11,-2.5 11,-2.9 -2,-0.5 2,-0.3 -0.970 19.0-157.2-142.1 160.9 7.1 2.9 -9.7 65 64 L G E +C 74 0A 11 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.987 10.2 174.1-138.0 150.3 9.3 5.5 -7.9 66 65 L S E -C 73 0A 61 7,-2.1 7,-2.6 -2,-0.3 2,-0.4 -0.959 13.1-153.2-145.5 165.4 10.5 9.0 -8.5 67 66 L R E +C 72 0A 99 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.997 13.2 172.8-140.6 140.0 12.5 11.6 -6.6 68 67 L S E > -C 71 0A 88 3,-2.4 3,-2.0 -2,-0.4 2,-0.4 -0.940 61.8 -36.6-149.6 127.4 12.5 15.4 -7.0 69 68 L G T 3 S- 0 0 46 -2,-0.3 -44,-0.1 1,-0.3 -2,-0.0 -0.465 124.8 -25.1 66.4-117.6 14.2 18.0 -4.8 70 69 L T T 3 S+ 0 0 59 -2,-0.4 -46,-2.1 -46,-0.1 2,-0.3 -0.120 125.5 79.2-118.4 30.9 14.0 16.6 -1.2 71 70 L S E < -BC 23 68A 50 -3,-2.0 -3,-2.4 -48,-0.2 2,-0.3 -0.902 56.3-161.3-133.8 163.3 10.9 14.5 -1.8 72 71 L A E -BC 22 67A 1 -50,-2.1 -50,-2.1 -2,-0.3 2,-0.4 -0.951 5.5-150.1-141.5 162.7 10.1 11.1 -3.3 73 72 L T E -BC 21 66A 42 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.996 5.2-156.3-140.9 132.4 7.0 9.4 -4.6 74 73 L L E -BC 20 65A 0 -54,-2.5 -54,-2.4 -2,-0.4 2,-0.4 -0.929 18.0-162.2-100.7 129.5 5.8 5.8 -4.9 75 74 L G E -BC 19 64A 10 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.4 -0.918 8.1-173.1-111.9 138.7 3.2 5.1 -7.6 76 75 L I E -BC 18 63A 1 -58,-2.5 -58,-2.7 -2,-0.4 2,-0.3 -0.982 5.8-174.1-131.2 122.1 1.0 2.1 -7.8 77 76 L I + 0 0 94 -15,-2.2 -60,-0.2 -2,-0.4 -61,-0.1 -0.773 63.3 26.2-109.5 156.2 -1.2 1.4 -10.8 78 77 L G S S- 0 0 24 -63,-0.4 -1,-0.2 -2,-0.3 -61,-0.2 0.928 84.6-142.6 62.6 50.3 -3.9 -1.3 -11.2 79 78 L L - 0 0 4 -63,-2.5 -64,-2.3 -66,-0.2 2,-0.3 -0.137 20.6-172.2 -52.3 132.0 -4.6 -1.7 -7.5 80 79 L Q > - 0 0 104 -66,-0.2 3,-2.4 -3,-0.1 4,-0.3 -0.882 37.8-111.6-120.9 154.6 -5.3 -5.3 -6.5 81 80 L T G > S+ 0 0 95 -2,-0.3 3,-2.0 1,-0.3 27,-0.2 0.872 116.4 63.9 -53.4 -36.8 -6.6 -6.5 -3.1 82 81 L G G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.607 87.0 71.4 -63.9 -13.0 -3.1 -8.1 -2.5 83 82 L D G < + 0 0 7 -3,-2.4 -1,-0.3 2,-0.0 2,-0.2 0.613 67.4 116.4 -79.4 -13.3 -1.5 -4.7 -2.6 84 83 L E < + 0 0 58 -3,-2.0 2,-0.3 -4,-0.3 23,-0.2 -0.434 46.1 105.3 -60.2 127.1 -3.0 -3.8 0.8 85 84 L A E S- G 0 106B 10 21,-0.8 21,-2.8 -2,-0.2 2,-0.5 -0.956 75.0 -75.5 178.2 175.5 0.0 -3.4 3.1 86 85 L E E -EG 39 105B 47 -47,-2.6 -47,-2.7 -2,-0.3 2,-0.4 -0.878 43.9-155.2 -98.1 132.5 2.1 -0.8 4.9 87 86 L Y E -EG 38 104B 0 17,-2.7 17,-2.3 -2,-0.5 2,-0.4 -0.929 10.5-171.6-114.2 135.2 4.5 1.1 2.6 88 87 L Y E -E 37 0B 8 -51,-2.1 -51,-2.6 -2,-0.4 2,-0.3 -0.969 12.4-154.2-126.2 140.1 7.8 2.7 3.8 89 88 L a E +E 36 0B 0 -2,-0.4 12,-2.8 -53,-0.2 2,-0.3 -0.743 22.4 175.4-100.6 157.7 10.4 5.0 2.2 90 89 L A E +EH 35 100B 0 -55,-1.9 -55,-2.8 -2,-0.3 2,-0.3 -0.990 11.6 149.9-156.7 151.2 14.0 5.1 3.4 91 90 L T E - H 0 99B 0 8,-1.8 8,-3.1 -2,-0.3 2,-0.3 -0.952 49.0 -72.6-163.7-177.2 17.4 6.6 2.7 92 91 L W E - H 0 98B 9 -59,-0.3 2,-0.3 -2,-0.3 6,-0.2 -0.655 42.2-155.7 -83.1 140.1 20.6 7.6 4.5 93 92 L D E >> - H 0 97B 8 4,-2.7 3,-2.1 -2,-0.3 4,-1.2 -0.886 26.1-120.0-116.5 150.5 20.5 10.8 6.6 94 93 L G T 34 S+ 0 0 49 -67,-2.0 -66,-0.1 -2,-0.3 -1,-0.1 0.585 106.7 79.6 -67.4 -7.4 23.5 13.0 7.4 95 94 L S T 34 S- 0 0 39 2,-0.2 -1,-0.3 -68,-0.1 3,-0.1 0.426 120.4-104.8 -74.4 1.4 22.9 12.3 11.1 96 95 L L T <4 S+ 0 0 103 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.933 85.3 85.7 78.3 55.5 24.7 9.1 10.1 97 95AL R E < S-H 93 0B 60 -4,-1.2 -4,-2.7 178,-0.1 2,-0.4 -0.967 79.8 -97.6-167.5 157.5 22.0 6.5 9.9 98 96 L T E -H 92 0B 2 -2,-0.3 164,-0.5 -6,-0.2 2,-0.4 -0.698 43.3-159.2 -79.8 137.5 19.4 5.0 7.6 99 97 L V E -H 91 0B 14 -8,-3.1 -8,-1.8 -2,-0.4 2,-0.4 -0.948 5.3-154.5-120.7 144.2 16.0 6.6 8.3 100 98 L F E -H 90 0B 16 -2,-0.4 -96,-0.5 160,-0.4 -10,-0.2 -0.904 21.5-115.9-110.3 144.1 12.5 5.3 7.4 101 99 L G - 0 0 1 -12,-2.8 159,-0.4 -2,-0.4 -96,-0.2 -0.268 39.3-104.1 -60.7 163.6 9.3 7.2 6.9 102 100 L G - 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