==== 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 3MLS . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 255 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 1858 12 20 20 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1222 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 725 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 210 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 3 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 . 4 0 4 4 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 . 25 14 23 13 20 27 7 5 4 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 . 5 2 14 5 7 0 0 4 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 89 0, 0.0 2,-0.1 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 10.0 104.9 8.1 93.2 2 2 L Y - 0 0 24 1,-0.1 2,-0.1 104,-0.0 22,-0.0 -0.391 360.0 -98.6 -82.0 161.8 103.0 5.7 95.5 3 3 L D - 0 0 127 -2,-0.1 2,-0.5 103,-0.1 22,-0.4 -0.467 19.2-149.3 -84.8 152.8 104.8 3.7 98.3 4 4 L L - 0 0 9 103,-0.4 105,-0.6 20,-0.2 2,-0.5 -0.984 18.9-162.1-120.5 116.1 105.9 0.1 98.3 5 5 L T B +A 23 0A 84 18,-3.5 18,-1.9 -2,-0.5 103,-0.1 -0.880 18.6 158.1-107.6 127.8 105.8 -1.5 101.7 6 6 L Q - 0 0 7 -2,-0.5 16,-0.1 16,-0.2 103,-0.1 -0.997 49.4 -92.5-144.7 142.0 107.6 -4.7 102.8 7 7 L P - 0 0 44 0, 0.0 105,-0.2 0, 0.0 3,-0.0 -0.316 26.7-141.4 -55.2 122.4 108.6 -6.0 106.2 8 8 L P S S+ 0 0 103 0, 0.0 104,-2.2 0, 0.0 2,-0.4 0.759 86.6 35.1 -58.5 -19.1 112.1 -4.8 107.0 9 9 L S E +d 112 0B 78 102,-0.2 2,-0.3 75,-0.0 104,-0.2 -0.994 54.9 168.7-144.9 139.9 112.6 -8.3 108.5 10 11 L V E -d 113 0B 25 102,-1.8 104,-2.5 -2,-0.4 2,-0.4 -0.987 16.1-164.9-143.0 131.7 111.6 -11.9 108.0 11 12 L S E +d 114 0B 67 -2,-0.3 2,-0.3 102,-0.2 104,-0.2 -0.935 14.0 161.5-123.1 146.0 113.2 -14.8 109.8 12 13 L V E -d 115 0B 10 102,-2.7 104,-1.7 -2,-0.4 6,-0.1 -0.991 34.0-112.5-159.2 156.4 113.0 -18.5 109.0 13 14 L S > - 0 0 44 -2,-0.3 3,-2.0 102,-0.2 64,-0.2 -0.629 51.4 -82.7 -92.2 152.2 114.7 -21.8 109.7 14 15 L P T 3 S+ 0 0 72 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.276 118.0 19.0 -54.1 130.9 116.6 -23.8 107.0 15 16 L G T 3 S+ 0 0 52 62,-2.9 61,-0.7 1,-0.4 63,-0.1 -0.017 100.0 114.1 97.5 -30.0 114.1 -25.9 104.9 16 17 L Q S < S- 0 0 101 -3,-2.0 61,-2.6 61,-0.2 2,-0.6 -0.169 75.0-103.4 -69.7 166.4 111.1 -23.8 106.0 17 18 L T - 0 0 88 59,-0.2 2,-0.3 58,-0.2 58,-0.2 -0.837 35.2-157.8 -96.1 124.7 109.1 -21.7 103.5 18 19 L A E - B 0 74A 3 56,-2.8 56,-2.9 -2,-0.6 2,-0.4 -0.786 2.2-156.5-101.8 146.5 109.8 -18.0 103.8 19 20 L S E - B 0 73A 67 -2,-0.3 2,-0.6 54,-0.2 54,-0.2 -0.981 8.4-171.1-129.3 126.2 107.4 -15.3 102.6 20 21 L I E - B 0 72A 0 52,-2.3 52,-2.5 -2,-0.4 2,-0.2 -0.945 12.8-164.9-118.0 112.4 108.2 -11.7 101.6 21 22 L S E - B 0 71A 48 -2,-0.6 2,-0.3 50,-0.2 50,-0.2 -0.493 8.6-177.8 -91.1 164.1 105.2 -9.4 101.0 22 23 L a E + B 0 70A 0 48,-1.4 48,-3.5 -2,-0.2 2,-0.3 -0.884 5.5 179.7-162.8 125.1 105.2 -6.1 99.2 23 24 L S E +AB 5 69A 43 -18,-1.9 -18,-3.5 -2,-0.3 2,-0.3 -0.969 8.8 162.7-135.7 151.1 102.2 -3.8 98.8 24 25 L G > - 0 0 9 44,-1.4 3,-0.6 -2,-0.3 4,-0.2 -0.943 47.7-104.9-156.8 159.7 101.5 -0.5 97.2 25 26 L D T 3 S+ 0 0 117 -22,-0.4 3,-0.3 -2,-0.3 -21,-0.1 0.779 116.4 39.0 -66.4 -28.7 98.4 1.3 96.1 26 27 L K T > S+ 0 0 71 -23,-0.2 3,-2.7 1,-0.2 -1,-0.2 0.487 79.8 105.6-101.4 0.3 98.8 0.8 92.4 27 28 L L G X + 0 0 0 -3,-0.6 3,-0.9 1,-0.3 -1,-0.2 0.642 65.5 77.3 -53.9 -13.2 100.2 -2.8 92.4 28 29 L D G 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 39,-0.1 0.762 111.7 21.7 -69.1 -23.8 96.8 -4.0 91.2 29 30 L D G < S+ 0 0 56 -3,-2.7 2,-0.4 2,-0.1 -1,-0.2 -0.115 111.8 85.4-134.2 38.1 97.7 -2.8 87.7 30 31 L K S < S- 0 0 12 -3,-0.9 434,-0.3 434,-0.1 2,-0.1 -1.000 73.4-119.8-141.0 137.7 101.5 -2.7 87.8 31 32 L Y - 0 0 24 432,-2.8 2,-0.4 -2,-0.4 59,-0.3 -0.454 28.4-148.7 -73.2 149.5 104.1 -5.4 87.2 32 33 L V - 0 0 0 57,-0.1 18,-2.5 -2,-0.1 2,-0.3 -0.952 10.0-166.0-122.3 140.2 106.4 -6.1 90.1 33 34 L S E -E 88 0B 3 55,-2.3 55,-1.6 -2,-0.4 2,-0.4 -0.912 9.1-146.0-121.6 151.6 110.0 -7.3 90.0 34 35 L W E -EF 87 47B 0 13,-2.1 12,-3.1 -2,-0.3 13,-1.7 -0.969 12.5-170.6-122.7 137.3 112.1 -8.7 92.8 35 36 L Y E -EF 86 45B 0 51,-2.4 51,-1.8 -2,-0.4 2,-0.4 -0.896 10.1-146.1-123.7 152.6 115.9 -8.3 93.4 36 37 L Y E -EF 85 44B 19 8,-2.7 8,-2.1 -2,-0.3 2,-0.3 -0.918 13.4-175.5-118.4 145.0 118.3 -10.0 95.8 37 38 L Q E -E 84 0B 4 47,-2.0 47,-2.4 -2,-0.4 3,-0.1 -0.887 15.4-155.6-149.1 116.2 121.3 -8.4 97.4 38 39 L R > - 0 0 97 4,-0.3 3,-2.5 -2,-0.3 45,-0.1 -0.728 53.0 -84.6 -84.2 128.9 124.0 -9.9 99.6 39 40 L P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.002 116.6 12.1 -36.6 124.6 125.6 -7.2 101.8 40 41 L G T 3 S+ 0 0 56 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.496 112.4 99.2 82.1 3.1 128.3 -5.4 99.9 41 42 L Q S < S- 0 0 106 -3,-2.5 -1,-0.3 1,-0.0 295,-0.0 -0.437 77.6 -92.2-110.2-173.7 127.3 -6.9 96.6 42 43 L S - 0 0 31 -2,-0.1 -4,-0.3 1,-0.1 294,-0.1 -0.742 49.2 -91.5-101.0 149.1 125.3 -5.8 93.6 43 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.157 36.2-149.0 -56.6 152.2 121.6 -6.5 93.2 44 45 L V E -F 36 0B 67 -8,-2.1 -8,-2.7 289,-0.1 2,-0.3 -0.995 15.0-123.9-128.6 128.5 120.5 -9.6 91.4 45 46 L L E +F 35 0B 11 -2,-0.4 -10,-0.2 287,-0.4 3,-0.1 -0.560 38.3 161.3 -72.0 128.8 117.3 -9.9 89.3 46 47 L L E + 0 0 10 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.672 60.8 11.3-117.6 -34.7 115.1 -12.8 90.6 47 48 L M E -F 34 0B 1 -13,-1.7 -13,-2.1 6,-0.2 -1,-0.4 -0.995 58.0-178.8-150.2 146.5 111.6 -12.1 89.3 48 49 L Y B > +I 52 0C 33 4,-2.5 4,-2.1 -2,-0.3 3,-0.4 -0.990 66.9 23.9-148.1 152.9 110.0 -9.9 86.8 49 50 L Q T 4 S- 0 0 5 -2,-0.3 2,-2.3 280,-0.3 -1,-0.2 0.951 125.4 -70.2 54.2 50.0 106.4 -9.2 85.5 50 51 L D T 4 S+ 0 0 25 -18,-2.5 -1,-0.2 1,-0.2 21,-0.1 -0.276 126.8 17.1 68.9 -51.0 105.2 -10.6 88.8 51 52 L F T 4 S+ 0 0 121 -2,-2.3 2,-0.7 -3,-0.4 12,-0.4 0.340 88.7 109.3-135.9 7.0 106.1 -14.3 88.4 52 53 L K B < -I 48 0C 50 -4,-2.1 -4,-2.5 -3,-0.1 -2,-0.1 -0.800 50.8-156.5 -92.0 119.2 108.6 -14.8 85.6 53 54 L R - 0 0 99 -2,-0.7 -6,-0.2 -6,-0.2 4,-0.1 -0.829 20.3-114.5-100.0 129.1 112.0 -15.8 86.9 54 55 L P > - 0 0 21 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.092 47.0 -82.3 -53.0 153.0 115.1 -15.1 84.8 55 56 L S T 3 S+ 0 0 126 1,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.380 120.3 37.2 -59.6 131.5 117.0 -18.1 83.5 56 57 L G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 -10,-0.0 0.350 86.3 120.8 106.1 -4.5 119.3 -19.3 86.3 57 58 L I < - 0 0 24 -3,-1.8 -1,-0.3 -4,-0.1 -4,-0.1 -0.830 69.8-105.4 -99.8 127.4 116.9 -18.6 89.2 58 59 L P > - 0 0 56 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.074 16.1-132.1 -47.3 138.9 115.8 -21.5 91.4 59 60 L E T 3 S+ 0 0 159 1,-0.3 16,-0.1 3,-0.0 -2,-0.0 0.728 102.8 77.8 -66.5 -19.2 112.3 -22.8 90.9 60 61 L R T 3 S+ 0 0 49 14,-0.1 15,-2.0 16,-0.1 2,-0.7 0.641 80.0 80.1 -64.7 -15.6 112.0 -22.6 94.8 61 62 L L E < -C 74 0A 9 -3,-1.8 2,-0.4 13,-0.2 13,-0.2 -0.876 66.4-178.9 -97.0 117.4 111.5 -18.9 94.2 62 63 L S E -C 73 0A 66 11,-2.5 11,-2.7 -2,-0.7 2,-0.5 -0.965 16.1-149.3-120.6 133.1 108.0 -18.3 93.2 63 64 L G E +C 72 0A 7 -2,-0.4 2,-0.3 -12,-0.4 9,-0.2 -0.884 23.3 173.5-104.2 128.7 106.5 -14.8 92.4 64 65 L S E -C 71 0A 46 7,-3.3 7,-2.8 -2,-0.5 2,-0.3 -0.848 14.9-162.4-130.7 167.2 102.9 -14.2 93.1 65 66 L K E +C 70 0A 60 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.980 12.1 166.3-146.9 153.0 100.3 -11.3 93.1 66 67 L S E > -C 69 0A 96 3,-2.4 3,-1.4 -2,-0.3 -38,-0.1 -0.711 63.7 -44.1-171.5 115.1 96.9 -10.6 94.6 67 68 L G T 3 S- 0 0 54 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.332 123.8 -15.8 59.7-134.3 95.2 -7.3 94.8 68 69 L K T 3 S+ 0 0 95 -3,-0.1 -44,-1.4 -40,-0.1 2,-0.4 0.011 123.0 88.6 -90.4 27.7 97.5 -4.5 95.9 69 70 L T E < -BC 23 66A 51 -3,-1.4 -3,-2.4 -46,-0.2 2,-0.4 -0.962 53.8-166.2-130.0 145.8 100.1 -7.1 97.1 70 71 L A E -BC 22 65A 0 -48,-3.5 -48,-1.4 -2,-0.4 2,-0.4 -0.956 14.8-159.8-124.4 145.4 102.9 -8.9 95.5 71 72 L T E -BC 21 64A 30 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.6 -0.992 16.1-160.8-136.5 137.3 104.6 -11.9 97.2 72 73 L L E -BC 20 63A 0 -52,-2.5 -52,-2.3 -2,-0.4 2,-0.5 -0.953 19.0-166.3-113.1 110.2 107.9 -13.7 96.9 73 74 L T E -BC 19 62A 42 -11,-2.7 -11,-2.5 -2,-0.6 2,-0.7 -0.880 6.4-166.2-104.6 126.2 107.7 -17.2 98.3 74 75 L I E -BC 18 61A 0 -56,-2.9 -56,-2.8 -2,-0.5 3,-0.5 -0.906 8.4-164.2-112.4 104.3 110.8 -19.1 99.0 75 76 L S S S+ 0 0 54 -15,-2.0 3,-0.2 -2,-0.7 -58,-0.2 -0.600 72.8 13.4 -86.4 150.2 110.2 -22.8 99.6 76 77 L G S S- 0 0 29 -61,-0.7 -1,-0.2 -2,-0.2 2,-0.2 0.937 88.2-147.2 51.5 54.1 112.9 -24.9 101.2 77 78 L T - 0 0 1 -61,-2.6 -62,-2.9 -3,-0.5 -61,-0.2 -0.339 17.4-170.7 -58.3 117.9 114.9 -21.9 102.2 78 79 L Q - 0 0 106 -2,-0.2 -63,-0.1 -64,-0.2 -62,-0.1 0.423 35.0-101.7 -82.2-137.0 118.6 -22.8 102.1 79 80 L S S > S+ 0 0 64 2,-0.1 3,-1.0 -65,-0.1 36,-0.2 0.506 111.3 70.7-132.5 -11.4 121.1 -20.4 103.5 80 81 L L T 3 S+ 0 0 123 1,-0.2 -3,-0.0 -42,-0.0 -42,-0.0 0.486 88.7 74.9 -80.3 -3.3 122.6 -18.6 100.4 81 82 L D T 3 + 0 0 15 2,-0.0 -1,-0.2 -45,-0.0 32,-0.2 0.649 69.6 112.4 -79.5 -18.7 119.1 -17.1 100.5 82 83 L E < + 0 0 47 -3,-1.0 2,-0.3 30,-0.1 32,-0.2 -0.310 52.2 69.7 -57.7 135.0 120.1 -15.0 103.4 83 84 L G E S- G 0 113B 2 30,-1.4 30,-3.3 -45,-0.1 2,-0.3 -0.968 83.4 -41.0 151.5-166.7 120.2 -11.3 102.4 84 85 L D E -EG 37 112B 19 -47,-2.4 -47,-2.0 -2,-0.3 2,-0.4 -0.682 43.0-159.7 -96.8 150.4 118.1 -8.3 101.4 85 86 L Y E -EG 36 111B 5 26,-1.7 26,-2.1 -2,-0.3 2,-0.4 -0.985 6.2-172.1-135.0 126.6 115.1 -8.4 99.1 86 87 L Y E -E 35 0B 7 -51,-1.8 -51,-2.4 -2,-0.4 2,-0.3 -0.930 8.6-157.2-119.2 138.9 113.6 -5.5 97.2 87 88 L a E -E 34 0B 0 -2,-0.4 21,-2.4 -53,-0.2 2,-0.3 -0.754 18.1-172.8-104.9 158.6 110.4 -5.3 95.2 88 89 L Q E +EH 33 107B 0 -55,-1.6 -55,-2.3 -2,-0.3 2,-0.2 -0.994 13.3 160.7-154.6 148.9 109.9 -2.7 92.5 89 90 L A E - H 0 106B 0 17,-1.1 17,-2.7 -2,-0.3 2,-0.2 -0.771 26.1-115.8-147.7-169.1 107.3 -1.3 90.2 90 91 L W E - H 0 105B 6 -59,-0.3 2,-0.3 373,-0.3 15,-0.2 -0.744 10.9-159.5-131.9 179.4 106.6 1.8 88.1 91 92 L D E - H 0 104B 13 13,-0.9 13,-1.8 -2,-0.2 2,-0.4 -0.960 8.2-155.2-158.5 148.3 104.1 4.7 87.7 92 93 L A E - H 0 103B 31 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.974 6.3-172.3-130.9 145.4 103.4 7.0 84.8 93 94 L S E - H 0 102B 52 9,-1.8 9,-1.0 -2,-0.4 2,-0.5 -0.638 13.5-153.1-143.4 84.8 101.9 10.5 84.8 94 95 L T E - H 0 101B 99 7,-0.2 7,-0.3 -2,-0.2 4,-0.1 -0.387 32.6-123.1 -56.7 106.9 101.0 12.0 81.5 95 95AL G - 0 0 29 5,-2.1 3,-0.2 -2,-0.5 -1,-0.1 -0.180 3.8-131.3 -54.8 147.0 101.4 15.7 82.2 96 95BL V S S+ 0 0 151 1,-0.2 2,-0.7 -3,-0.1 -1,-0.1 0.547 90.0 96.4 -76.2 -8.4 98.3 17.8 81.6 97 95CL S S S- 0 0 104 2,-0.2 2,-1.7 1,-0.1 -1,-0.2 0.057 107.9-103.6 -71.4 29.0 100.6 20.2 79.7 98 95DL G S S+ 0 0 68 -2,-0.7 2,-0.2 -3,-0.2 -1,-0.1 -0.593 96.5 29.8 85.3 -79.8 99.5 18.5 76.5 99 95EL G S S+ 0 0 52 -2,-1.7 -2,-0.2 -5,-0.0 0, 0.0 -0.689 81.6 76.0-112.0 165.9 102.6 16.4 75.9 100 95FL G - 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