==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 07-NOV-11 3UJI . COMPND 2 MOLECULE: LIGHT CHAIN OF ANTI-HIV-1 V3 MONOCLONAL ANTIBODY . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.P.KONG . 444 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 39.9 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 . 5 1.1 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-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 . 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 . 47 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.9 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+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 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 RESIDUES PER ALPHA HELIX . 3 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 . 5 3 6 4 5 6 2 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 0 3 3 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 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 0 152 0, 0.0 96,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.6 -13.0 7.9 5.1 2 3 L E - 0 0 101 94,-0.1 96,-0.3 253,-0.1 2,-0.2 -0.946 360.0-118.9-134.3 147.6 -14.6 9.7 8.1 3 4 L L B -a 98 0A 6 94,-1.9 96,-1.4 -2,-0.3 2,-0.6 -0.525 45.4-103.2 -75.5 158.2 -16.6 12.8 8.7 4 5 L T B +B 22 0B 92 18,-3.1 18,-2.0 94,-0.2 94,-0.1 -0.782 47.5 162.3 -98.5 118.7 -14.9 15.2 11.0 5 6 L Q - 0 0 19 -2,-0.6 16,-0.2 16,-0.2 14,-0.0 -0.935 46.6 -98.6-123.4 158.2 -16.1 15.6 14.6 6 7 L P - 0 0 37 0, 0.0 96,-0.1 0, 0.0 3,-0.1 -0.464 33.4-130.5 -69.2 142.0 -14.4 17.0 17.7 7 8 L P S S+ 0 0 107 0, 0.0 95,-2.8 0, 0.0 2,-0.3 0.847 81.9 16.7 -64.8 -31.2 -12.9 14.1 19.7 8 9 L S E -e 102 0C 59 93,-0.2 2,-0.4 75,-0.1 95,-0.2 -0.995 51.0-177.7-148.7 140.5 -14.3 15.3 23.1 9 11 L V E -e 103 0C 25 93,-2.6 95,-2.3 -2,-0.3 2,-0.4 -0.981 12.3-170.5-132.0 135.0 -17.0 17.6 24.5 10 12 L S E +e 104 0C 29 -2,-0.4 2,-0.3 93,-0.2 95,-0.2 -0.994 12.5 164.9-127.6 131.2 -17.4 17.9 28.3 11 13 L V E -e 105 0C 11 93,-2.3 95,-2.9 -2,-0.4 6,-0.1 -0.971 34.7-116.6-141.2 154.3 -20.3 19.8 29.9 12 14 L S > - 0 0 49 -2,-0.3 3,-2.4 93,-0.2 64,-0.2 -0.595 55.2 -78.4 -81.9 157.1 -21.8 20.0 33.5 13 15 L P T 3 S+ 0 0 82 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.309 121.1 27.7 -56.3 137.6 -25.4 18.7 33.9 14 16 L G T 3 S+ 0 0 53 62,-2.7 61,-0.5 1,-0.4 2,-0.1 0.108 97.0 109.2 96.5 -20.8 -27.8 21.3 32.6 15 17 L Q S < S- 0 0 102 -3,-2.4 61,-2.0 61,-0.2 2,-0.4 -0.400 75.0-102.3 -87.0 163.1 -25.5 22.9 30.1 16 18 L T - 0 0 74 58,-0.2 2,-0.5 59,-0.2 58,-0.2 -0.768 26.4-155.6 -87.5 131.9 -25.8 22.5 26.3 17 19 L A E - C 0 73B 0 56,-2.4 56,-3.1 -2,-0.4 2,-0.5 -0.928 9.7-166.6-103.4 131.9 -23.5 20.1 24.5 18 20 L S E - C 0 72B 66 -2,-0.5 2,-0.5 54,-0.2 54,-0.2 -0.976 4.0-173.2-122.6 122.6 -22.9 21.0 20.9 19 21 L I E - C 0 71B 0 52,-3.0 52,-2.8 -2,-0.5 2,-0.2 -0.966 7.8-157.8-119.1 121.9 -21.3 18.4 18.7 20 22 L T E - C 0 70B 62 -2,-0.5 2,-0.3 50,-0.2 50,-0.2 -0.507 8.7-172.5 -99.7 160.7 -20.3 19.3 15.0 21 23 L a E + C 0 69B 0 48,-1.6 48,-3.1 -2,-0.2 2,-0.4 -0.902 12.1 179.3-149.9 121.1 -19.8 16.9 12.0 22 24 L S E +BC 4 68B 40 -18,-2.0 -18,-3.1 -2,-0.3 2,-0.3 -0.958 12.3 145.5-131.0 149.4 -18.4 18.2 8.8 23 25 L G > - 0 0 16 44,-1.8 3,-1.9 -2,-0.4 4,-0.3 -0.921 54.9-109.1-172.7 155.0 -17.5 16.7 5.4 24 26 L D G > S+ 0 0 149 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.761 116.0 55.4 -65.2 -22.9 -17.7 17.8 1.8 25 27 L I G > S+ 0 0 23 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.589 86.6 81.7 -79.5 -6.8 -20.6 15.3 1.1 26 28 L L G X + 0 0 0 -3,-1.9 3,-0.9 41,-0.2 -1,-0.2 0.765 67.6 78.5 -77.1 -18.8 -22.9 16.7 3.8 27 29 L G G < S+ 0 0 40 -3,-0.5 -1,-0.2 -4,-0.3 39,-0.1 0.850 113.6 19.7 -60.0 -32.7 -24.4 19.7 2.0 28 30 L D G < S+ 0 0 93 -3,-0.8 2,-0.4 2,-0.1 -1,-0.3 0.238 111.1 86.6-123.7 24.4 -26.8 17.5 0.0 29 31 L K S < S- 0 0 7 -3,-0.9 410,-0.3 -4,-0.4 2,-0.2 -0.920 79.3-109.7-127.0 138.8 -26.9 14.3 2.1 30 32 L Y - 0 0 23 408,-2.2 2,-0.4 -2,-0.4 59,-0.3 -0.458 31.7-143.8 -61.2 133.7 -29.0 13.4 5.1 31 33 L V - 0 0 0 -2,-0.2 18,-2.7 57,-0.1 2,-0.3 -0.815 13.7-168.3-105.3 134.7 -27.1 13.2 8.4 32 34 L S E -F 87 0C 0 55,-2.8 55,-1.6 -2,-0.4 2,-0.4 -0.907 6.3-152.7-112.1 155.2 -28.0 10.7 11.0 33 35 L W E -FG 86 46C 1 13,-2.8 12,-3.0 -2,-0.3 13,-1.4 -0.985 7.4-165.9-130.3 135.5 -26.6 10.7 14.7 34 36 L Y E -FG 85 44C 0 51,-2.6 51,-2.4 -2,-0.4 2,-0.5 -0.968 11.3-146.1-120.8 144.1 -26.2 7.7 17.0 35 37 L Q E -FG 84 43C 16 8,-2.7 8,-1.6 -2,-0.4 2,-0.5 -0.906 14.2-173.0-103.4 128.3 -25.6 7.6 20.7 36 38 L Q E -F 83 0C 10 47,-3.4 47,-2.7 -2,-0.5 3,-0.1 -0.890 7.0-160.6-126.7 106.4 -23.3 4.8 22.0 37 39 L K > - 0 0 40 -2,-0.5 3,-2.3 4,-0.5 45,-0.1 -0.383 46.3 -69.4 -77.1 159.7 -23.1 4.4 25.8 38 40 L S T 3 S- 0 0 121 1,-0.3 -1,-0.2 43,-0.2 3,-0.1 -0.225 119.1 -0.6 -56.0 126.2 -20.2 2.6 27.2 39 41 L G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.621 113.6 104.0 72.8 8.6 -20.4 -1.1 26.5 40 42 L Q S < S- 0 0 113 -3,-2.3 -1,-0.2 1,-0.0 3,-0.1 -0.739 74.6 -98.1-120.8 169.5 -23.7 -0.8 24.6 41 43 L S - 0 0 28 -2,-0.2 -4,-0.5 1,-0.1 283,-0.1 -0.481 50.5 -88.9 -79.5 159.4 -24.8 -0.8 20.9 42 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.320 39.7-156.3 -63.8 149.1 -25.4 2.5 18.9 43 45 L L E -G 35 0C 83 -8,-1.6 -8,-2.7 278,-0.1 2,-0.3 -0.997 19.3-117.7-131.2 131.6 -28.9 4.0 19.1 44 46 L L E +G 34 0C 9 -2,-0.4 -10,-0.3 276,-0.3 3,-0.1 -0.474 37.9 164.6 -69.7 126.2 -30.3 6.4 16.5 45 47 L V E + 0 0 0 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.655 65.4 16.2-116.8 -14.9 -31.1 9.7 17.9 46 48 L I E +G 33 0C 0 -13,-1.4 -13,-2.8 6,-0.2 -1,-0.4 -0.989 63.1 179.6-151.1 142.1 -31.6 12.0 14.8 47 49 L Y B >> +J 51 0D 55 4,-2.9 4,-2.5 -2,-0.3 3,-0.7 -0.948 64.4 26.0-139.3 165.2 -32.1 11.1 11.2 48 50 L E T 34 S- 0 0 16 -2,-0.3 2,-2.0 1,-0.3 -1,-0.2 0.917 124.0 -73.4 46.4 47.8 -32.6 13.2 8.0 49 51 L D T 34 S+ 0 0 28 -18,-2.7 -1,-0.3 1,-0.2 21,-0.2 -0.152 127.7 22.3 73.4 -48.3 -30.7 16.0 9.7 50 52 L T T <4 S+ 0 0 85 -2,-2.0 12,-0.4 -3,-0.7 2,-0.3 0.440 90.0 109.7-135.1 -4.3 -33.4 17.2 12.1 51 53 L K B < -J 47 0D 89 -4,-2.5 -4,-2.9 10,-0.1 -2,-0.1 -0.581 49.6-150.0 -91.7 140.6 -35.9 14.3 12.8 52 54 L R - 0 0 116 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.906 15.5-127.4-105.8 128.3 -36.1 12.5 16.1 53 55 L P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.273 44.7 -82.2 -59.8 154.6 -37.3 8.8 16.4 54 56 L S T 3 S+ 0 0 128 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.420 117.5 30.2 -54.2 136.3 -40.0 8.1 18.8 55 57 L G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.208 87.6 118.1 95.1 -12.2 -38.8 7.7 22.3 56 58 L I S < S- 0 0 20 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.0 -0.755 70.1-114.6 -86.5 126.0 -35.9 10.1 21.9 57 59 L P > - 0 0 47 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.145 18.2-121.1 -55.6 140.9 -36.3 13.2 24.3 58 60 L D T 3 S+ 0 0 127 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.609 102.7 82.9 -61.5 -5.1 -36.7 16.6 22.7 59 61 L R T 3 S+ 0 0 46 14,-0.1 15,-2.7 16,-0.1 2,-0.5 0.692 79.4 77.7 -71.5 -14.7 -33.6 17.9 24.4 60 62 L F E < +D 73 0B 4 -3,-2.2 2,-0.4 13,-0.2 13,-0.2 -0.855 64.1 168.1 -91.6 120.7 -31.7 16.3 21.4 61 63 L S E -D 72 0B 52 11,-2.6 11,-3.1 -2,-0.5 2,-0.4 -0.989 20.3-152.8-133.9 146.5 -31.9 18.3 18.3 62 64 L G E +D 71 0B 10 -12,-0.4 2,-0.3 -2,-0.4 9,-0.2 -0.911 16.2 167.7-115.9 152.8 -30.2 18.3 15.0 63 65 L S E -D 70 0B 58 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.939 15.4-152.3-146.1 168.6 -29.4 21.0 12.5 64 66 L K E -D 69 0B 53 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.992 9.7-176.3-151.1 137.0 -27.3 21.5 9.5 65 67 L S E > -D 68 0B 101 3,-2.9 3,-1.8 -2,-0.4 2,-0.1 -0.934 67.1 -56.7-132.5 108.8 -25.7 24.5 7.8 66 68 L G T 3 S- 0 0 52 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.393 122.8 -8.3 57.9-122.5 -23.9 23.8 4.5 67 69 L N T 3 S+ 0 0 69 -2,-0.1 -44,-1.8 -3,-0.1 2,-0.5 0.264 122.4 81.3 -92.9 12.4 -21.3 21.0 5.1 68 70 L T E < -CD 22 65B 52 -3,-1.8 -3,-2.9 -46,-0.2 2,-0.3 -0.950 56.0-169.7-130.0 118.9 -21.6 21.0 8.9 69 71 L A E -CD 21 64B 1 -48,-3.1 -48,-1.6 -2,-0.5 2,-0.4 -0.781 10.6-157.3 -99.2 147.7 -24.3 19.2 10.9 70 72 L T E -CD 20 63B 29 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.5 -0.987 11.1-156.8-132.0 131.2 -24.6 19.8 14.6 71 73 L L E -CD 19 62B 0 -52,-2.8 -52,-3.0 -2,-0.4 2,-0.5 -0.907 19.1-166.5 -98.8 125.2 -26.2 17.7 17.3 72 74 L T E -CD 18 61B 29 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.6 -0.955 9.9-167.2-116.8 127.6 -27.3 19.9 20.2 73 75 L I E -CD 17 60B 0 -56,-3.1 -56,-2.4 -2,-0.5 3,-0.5 -0.940 12.5-163.4-111.0 116.5 -28.2 18.4 23.6 74 76 L S S S+ 0 0 54 -15,-2.7 -58,-0.2 -2,-0.6 -59,-0.1 -0.741 72.0 15.0 -99.3 146.3 -29.9 21.0 25.7 75 77 L G S S- 0 0 37 -61,-0.5 -1,-0.2 -2,-0.3 -60,-0.2 0.942 92.4-148.0 64.1 42.6 -30.2 20.5 29.5 76 78 L T - 0 0 1 -61,-2.0 -62,-2.7 -3,-0.5 2,-0.3 -0.121 13.1-157.3 -54.3 138.3 -27.7 17.7 29.3 77 79 L Q > - 0 0 87 -64,-0.2 3,-2.3 -3,-0.1 4,-0.3 -0.771 29.7-108.4-110.4 161.9 -28.3 15.0 31.8 78 80 L A G > S+ 0 0 72 -2,-0.3 3,-1.9 1,-0.3 27,-0.2 0.864 118.3 61.0 -52.7 -37.8 -25.8 12.5 33.3 79 81 L M G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -42,-0.0 -3,-0.0 0.659 91.1 68.5 -69.5 -6.6 -27.5 9.7 31.3 80 82 L D G < + 0 0 1 -3,-2.3 2,-0.3 2,-0.0 -1,-0.3 0.513 68.1 119.1 -87.8 -1.3 -26.6 11.5 28.1 81 83 L E < + 0 0 55 -3,-1.9 2,-0.3 -4,-0.3 -43,-0.2 -0.453 43.7 110.3 -68.4 126.7 -22.9 10.7 28.6 82 84 L A E S- H 0 103C 7 21,-1.2 21,-2.7 -2,-0.3 2,-0.4 -0.965 74.3 -84.4-173.6 174.7 -21.9 8.6 25.6 83 85 L D E -FH 36 102C 39 -47,-2.7 -47,-3.4 -2,-0.3 2,-0.4 -0.793 45.2-155.8 -96.6 137.7 -19.9 8.6 22.4 84 86 L Y E -FH 35 101C 0 17,-2.5 17,-2.1 -2,-0.4 2,-0.4 -0.955 8.5-168.2-119.9 133.6 -22.0 10.2 19.5 85 87 L Y E -F 34 0C 8 -51,-2.4 -51,-2.6 -2,-0.4 2,-0.2 -0.988 8.8-151.2-121.1 134.6 -21.4 9.5 15.8 86 88 L a E -F 33 0C 0 -2,-0.4 12,-2.8 -53,-0.2 2,-0.3 -0.511 19.1-173.2 -91.0 165.5 -22.7 11.3 12.8 87 89 L Q E +FI 32 97C 0 -55,-1.6 -55,-2.8 10,-0.3 2,-0.2 -0.961 14.6 159.5-157.4 152.4 -23.2 9.4 9.6 88 90 L A E - I 0 96C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.809 37.1 -98.4-159.9-179.9 -24.2 10.1 5.9 89 91 L W E - I 0 95C 0 349,-0.3 2,-0.4 -59,-0.3 6,-0.2 -0.985 14.0-147.0-114.9 128.7 -23.8 8.3 2.6 90 92 L D E > - I 0 94C 22 4,-3.1 4,-1.8 -2,-0.5 -64,-0.0 -0.711 31.6-122.8 -79.2 141.2 -21.3 8.9 -0.2 91 93 L S T 4 S+ 0 0 45 -2,-0.4 355,-2.4 1,-0.2 -1,-0.1 0.779 103.6 12.9 -62.8 -30.5 -23.1 8.2 -3.5 92 94 L T T 4 S+ 0 0 94 353,-0.2 -1,-0.2 2,-0.1 353,-0.0 0.661 127.3 53.2-116.4 -28.1 -20.7 5.6 -4.6 93 95 L L T 4 S- 0 0 102 1,-0.3 2,-0.2 177,-0.1 -2,-0.2 0.516 93.9-144.0 -92.0 -9.1 -18.5 4.7 -1.4 94 95AL G E < +I 90 0C 0 -4,-1.8 -4,-3.1 176,-0.1 2,-0.4 -0.500 54.8 16.9 96.1-147.5 -21.5 4.0 1.0 95 96 L V E -I 89 0C 10 -6,-0.2 2,-0.5 -2,-0.2 161,-0.4 -0.496 59.6-170.8 -82.3 121.8 -21.9 4.7 4.6 96 97 L V E -I 88 0C 4 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.3 -0.955 4.9-163.7-110.4 124.6 -19.5 7.2 6.1 97 98 L F E -I 87 0C 4 -2,-0.5 -94,-1.9 -96,-0.4 -10,-0.3 -0.738 21.8-115.0 -99.5 155.1 -19.3 7.7 9.9 98 99 L G B -a 3 0A 0 -12,-2.8 156,-0.4 -2,-0.3 -94,-0.2 -0.417 35.6-106.0 -67.7 167.2 -17.8 10.6 11.8 99 100 L G - 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