==== 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 3MLT . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTI-HIV-1 GP120 V3 ANTIBODY 255 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.-P.KONG . 1757 19 16 15 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1144 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 688 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 211 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 2 5 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 . 2 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 . 23 13 25 14 17 27 9 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 13 9 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 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,-0.0 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 -27.3 15.6 12.5 26.8 2 2 L Y - 0 0 23 1,-0.1 2,-0.3 102,-0.0 22,-0.0 0.598 360.0-112.0 -34.6 166.4 13.0 11.1 24.4 3 3 L D - 0 0 131 101,-0.1 2,-0.5 103,-0.0 22,-0.4 -0.704 11.3-134.6-108.7 144.2 13.5 8.9 21.4 4 4 L L B -a 106 0A 5 101,-0.6 103,-0.6 -2,-0.3 2,-0.5 -0.825 21.8-156.4 -93.0 131.4 13.0 9.5 17.6 5 5 L T B +B 23 0B 84 18,-2.1 18,-2.3 -2,-0.5 101,-0.1 -0.941 18.0 167.5-108.6 124.4 11.2 6.6 15.8 6 6 L Q - 0 0 9 -2,-0.5 16,-0.1 16,-0.2 101,-0.1 -0.951 44.0-100.8-122.2 156.7 11.6 6.0 12.1 7 7 L P - 0 0 44 0, 0.0 103,-0.1 0, 0.0 3,-0.0 -0.469 31.2-130.8 -66.7 142.0 10.5 2.9 10.1 8 8 L P S S+ 0 0 102 0, 0.0 102,-2.9 0, 0.0 2,-0.3 0.799 80.5 23.2 -69.6 -27.7 13.5 0.7 9.5 9 9 L S E +e 110 0C 86 100,-0.2 2,-0.3 2,-0.0 102,-0.2 -0.988 52.7 179.5-140.2 151.6 12.8 0.1 5.8 10 11 L V E -e 111 0C 31 100,-2.5 102,-2.5 -2,-0.3 2,-0.4 -0.980 9.5-166.2-143.1 144.7 11.1 1.7 2.8 11 12 L S E +e 112 0C 65 -2,-0.3 2,-0.3 100,-0.2 102,-0.2 -0.991 13.4 164.7-135.0 136.8 11.0 0.4 -0.8 12 13 L V E -e 113 0C 6 100,-2.4 102,-2.4 -2,-0.4 6,-0.1 -0.921 33.2-114.4-147.8 160.4 9.8 2.2 -3.9 13 14 L S > - 0 0 45 -2,-0.3 3,-2.6 100,-0.2 64,-0.2 -0.737 54.2 -78.1 -99.3 155.4 10.1 1.9 -7.7 14 15 L P T 3 S+ 0 0 73 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.185 122.8 19.5 -54.2 136.7 12.0 4.4 -9.8 15 16 L G T 3 S+ 0 0 50 62,-2.8 61,-0.8 1,-0.3 62,-0.1 -0.037 94.5 116.3 96.5 -37.3 9.8 7.5 -10.1 16 17 L Q S < S- 0 0 103 -3,-2.6 61,-1.2 61,-0.2 2,-0.4 -0.313 73.3-111.4 -63.3 154.8 7.5 6.7 -7.1 17 18 L T - 0 0 77 58,-0.1 2,-0.4 59,-0.1 58,-0.3 -0.759 30.2-143.9 -88.4 133.4 7.7 9.3 -4.3 18 19 L A E - C 0 74B 1 56,-3.4 56,-3.6 -2,-0.4 2,-0.4 -0.793 11.9-162.0-101.7 144.3 9.4 7.9 -1.2 19 20 L S E - C 0 73B 69 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.993 7.0-173.2-129.4 126.5 8.2 9.0 2.3 20 21 L I E - C 0 72B 0 52,-2.7 52,-2.8 -2,-0.4 2,-0.2 -0.973 12.1-155.0-124.3 116.3 10.1 8.6 5.6 21 22 L S E - C 0 71B 44 -2,-0.5 2,-0.3 50,-0.2 50,-0.2 -0.578 7.8-168.9 -90.6 153.0 8.4 9.5 8.9 22 23 L a E - C 0 70B 0 48,-2.4 48,-3.1 -2,-0.2 2,-0.3 -0.923 9.7-173.1-142.3 113.7 10.1 10.5 12.2 23 24 L S E +BC 5 69B 34 -18,-2.3 -18,-2.1 -2,-0.3 2,-0.3 -0.809 10.9 153.8-107.9 148.7 8.1 10.7 15.6 24 25 L G > - 0 0 5 44,-1.2 3,-2.5 -2,-0.3 4,-0.3 -0.904 49.4-100.1-176.6 156.4 9.0 11.9 19.0 25 26 L D T 3 S+ 0 0 94 -22,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.755 117.0 17.0 -44.0 -51.5 7.8 13.3 22.3 26 27 L K T > S+ 0 0 75 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.289 84.9 123.3-108.9 22.3 8.5 17.0 21.8 27 28 L L G X + 0 0 0 -3,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.720 64.2 66.2 -54.6 -30.5 9.0 17.1 18.0 28 29 L D G 3 S+ 0 0 82 -4,-0.3 -1,-0.3 1,-0.3 39,-0.1 0.771 108.8 36.1 -68.8 -31.4 6.3 19.8 17.4 29 30 L D G < S+ 0 0 100 -3,-1.6 2,-0.4 415,-0.1 -1,-0.3 0.054 110.5 89.0 -99.2 22.8 8.2 22.5 19.2 30 31 L K S < S- 0 0 12 -3,-1.6 414,-0.3 414,-0.1 2,-0.2 -0.966 76.6-125.4-129.1 131.7 11.5 21.2 17.9 31 32 L Y - 0 0 14 412,-3.2 2,-0.4 -2,-0.4 59,-0.3 -0.513 29.6-152.2 -66.0 130.1 13.4 21.8 14.7 32 33 L V - 0 0 0 -2,-0.2 18,-2.6 57,-0.1 2,-0.3 -0.890 8.9-165.4-106.3 136.2 14.1 18.6 12.8 33 34 L S E -F 88 0C 4 55,-2.9 55,-1.8 -2,-0.4 2,-0.4 -0.887 8.1-149.1-113.7 154.9 17.1 18.0 10.5 34 35 L W E -FG 87 47C 0 13,-2.0 12,-2.6 -2,-0.3 13,-1.1 -0.968 10.5-165.5-128.8 140.5 17.4 15.1 8.0 35 36 L Y E -FG 86 45C 0 51,-2.5 51,-2.4 -2,-0.4 2,-0.4 -0.965 9.8-148.9-130.4 141.8 20.6 13.4 6.9 36 37 L Y E -FG 85 44C 23 8,-3.0 8,-2.7 -2,-0.4 2,-0.4 -0.883 13.8-177.8-103.8 137.5 21.5 11.0 4.1 37 38 L Q E -F 84 0C 2 47,-3.1 47,-2.7 -2,-0.4 5,-0.1 -0.940 14.4-158.2-134.2 119.3 24.2 8.4 4.3 38 39 L R > - 0 0 91 4,-0.4 3,-2.8 -2,-0.4 45,-0.1 -0.830 48.5 -93.5 -83.1 130.5 25.3 6.1 1.5 39 40 L P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.052 112.8 19.7 -51.9 142.4 27.0 3.1 3.2 40 41 L G T 3 S+ 0 0 58 1,-0.3 2,-0.1 -3,-0.0 -2,-0.0 0.149 114.4 89.2 80.6 -20.4 30.8 3.5 3.4 41 42 L Q S < S- 0 0 112 -3,-2.8 -1,-0.3 1,-0.1 293,-0.0 -0.466 83.4 -90.4-101.7 177.8 30.4 7.3 3.0 42 43 L S - 0 0 30 -2,-0.1 -4,-0.4 1,-0.1 -1,-0.1 -0.530 49.0 -94.7 -81.3 148.3 29.9 10.3 5.3 43 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.232 37.2-149.3 -60.0 156.4 26.4 11.6 6.3 44 45 L V E -G 36 0C 66 -8,-2.7 -8,-3.0 287,-0.1 2,-0.5 -0.999 14.0-123.1-129.8 132.7 25.0 14.5 4.1 45 46 L L E +G 35 0C 6 285,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.598 34.7 166.2 -77.4 121.7 22.7 17.2 5.4 46 47 L L E + 0 0 10 -12,-2.6 2,-0.3 -2,-0.5 -11,-0.2 0.648 62.3 12.3-105.6 -16.9 19.5 17.3 3.3 47 48 L M E -G 34 0C 0 -13,-1.1 -13,-2.0 6,-0.2 -1,-0.3 -0.937 55.3-175.5-167.6 129.4 17.2 19.4 5.4 48 49 L Y B >> S+J 52 0D 35 4,-3.0 4,-2.1 -2,-0.3 3,-0.5 -0.921 70.4 25.0-132.9 162.9 17.3 21.8 8.4 49 50 L Q T 34 S- 0 0 3 278,-0.3 2,-2.1 -2,-0.3 -16,-0.2 0.906 123.2 -73.3 48.4 48.6 14.6 23.6 10.4 50 51 L D T 34 S+ 0 0 26 -18,-2.6 -1,-0.2 1,-0.2 21,-0.2 -0.202 127.4 21.0 72.1 -46.2 11.9 21.0 9.3 51 52 L F T <4 S+ 0 0 115 -2,-2.1 2,-0.4 -3,-0.5 12,-0.4 0.402 89.6 106.9-141.8 -6.7 11.6 22.2 5.7 52 53 L K B < -J 48 0D 61 -4,-2.1 -4,-3.0 10,-0.1 -2,-0.1 -0.780 53.7-142.8 -95.7 132.1 14.7 24.3 4.5 53 54 L R - 0 0 103 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.760 17.1-121.6 -95.7 127.0 17.2 22.8 2.1 54 55 L P > - 0 0 20 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.266 51.3 -78.6 -54.0 153.3 20.9 23.5 2.3 55 56 L S T 3 S+ 0 0 133 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.359 121.5 27.1 -59.1 132.7 22.3 25.1 -0.8 56 57 L G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.158 87.0 118.7 100.8 -19.6 22.9 22.3 -3.5 57 58 L I S < S- 0 0 25 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.1 -0.655 70.3-111.5 -81.9 131.7 20.2 19.9 -2.2 58 59 L P > - 0 0 59 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.318 11.9-121.5 -78.8 151.5 17.6 19.4 -5.0 59 60 L E T 3 S+ 0 0 164 1,-0.3 -2,-0.0 -6,-0.0 -6,-0.0 0.653 103.1 76.0 -52.7 -25.6 14.0 20.6 -4.9 60 61 L R T 3 S+ 0 0 65 15,-0.1 15,-2.6 16,-0.1 2,-0.6 0.527 85.3 75.3 -71.5 -2.4 12.6 17.1 -5.3 61 62 L L E < +D 74 0B 10 -3,-1.7 2,-0.4 13,-0.2 13,-0.2 -0.954 68.2 175.3-106.6 124.6 13.5 16.5 -1.7 62 63 L S E -D 73 0B 57 11,-2.2 11,-2.4 -2,-0.6 2,-0.4 -0.986 20.9-147.2-136.7 143.1 11.1 18.2 0.7 63 64 L G E +D 72 0B 9 -12,-0.4 2,-0.3 -2,-0.4 9,-0.2 -0.826 22.8 166.6-106.5 139.1 10.6 18.4 4.5 64 65 L S E -D 71 0B 61 7,-2.3 7,-2.2 -2,-0.4 2,-0.3 -0.869 16.4-150.4-142.7 178.1 7.3 18.7 6.4 65 66 L K E +D 70 0B 55 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.996 13.6 172.3-154.9 148.1 5.8 18.4 9.8 66 67 L S E > -D 69 0B 90 3,-1.9 3,-1.9 -2,-0.3 2,-0.1 -0.802 67.5 -39.6-163.6 114.3 2.5 17.6 11.5 67 68 L G T 3 S- 0 0 53 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.445 124.4 -23.5 62.9-135.8 2.0 17.2 15.3 68 69 L K T 3 S+ 0 0 97 -41,-0.1 -44,-1.2 -2,-0.1 2,-0.6 0.317 120.4 98.4 -81.8 4.4 5.0 15.3 16.7 69 70 L T E < -CD 23 66B 47 -3,-1.9 -3,-1.9 -46,-0.2 2,-0.3 -0.859 51.4-168.7-105.8 118.7 5.7 13.7 13.3 70 71 L A E -CD 22 65B 1 -48,-3.1 -48,-2.4 -2,-0.6 2,-0.4 -0.758 12.8-161.7 -91.9 148.5 8.4 15.0 10.8 71 72 L T E -CD 21 64B 27 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.5 -0.995 12.7-156.1-133.6 139.4 8.4 13.6 7.2 72 73 L L E -CD 20 63B 0 -52,-2.8 -52,-2.7 -2,-0.4 2,-0.4 -0.955 14.9-163.3-110.8 132.0 10.9 13.5 4.5 73 74 L T E -CD 19 62B 37 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.5 -0.941 6.9-170.3-118.9 132.0 9.6 13.2 1.0 74 75 L I E -CD 18 61B 0 -56,-3.6 -56,-3.4 -2,-0.4 3,-0.3 -0.988 10.0-172.6-121.1 117.8 11.7 12.2 -1.9 75 76 L S + 0 0 42 -15,-2.6 3,-0.2 -2,-0.5 -58,-0.1 -0.810 67.5 29.4-110.7 162.7 10.2 12.5 -5.3 76 77 L G S S- 0 0 41 -61,-0.8 -1,-0.2 -2,-0.3 2,-0.2 0.935 88.9-159.9 58.5 46.6 11.5 11.3 -8.6 77 78 L T + 0 0 1 -61,-1.2 -62,-2.8 -3,-0.3 2,-0.3 -0.423 16.7 175.2 -70.5 128.3 13.2 8.7 -6.6 78 79 L Q > - 0 0 96 -64,-0.2 3,-2.9 -2,-0.2 4,-0.3 -0.881 45.7 -95.0-128.0 160.4 16.1 7.1 -8.4 79 80 L S G > S+ 0 0 63 1,-0.3 3,-2.5 -2,-0.3 34,-0.1 0.771 116.8 68.0 -45.8 -44.9 18.8 4.5 -7.4 80 81 L L G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -42,-0.0 -3,-0.0 0.705 94.2 63.4 -45.6 -23.9 21.4 7.1 -6.4 81 82 L D G < S+ 0 0 14 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.608 76.3 116.3 -80.4 -18.0 18.9 7.9 -3.5 82 83 L E < + 0 0 50 -3,-2.5 2,-0.3 -4,-0.3 30,-0.2 -0.222 48.3 68.2 -50.9 137.0 19.4 4.4 -2.1 83 84 L G E S- H 0 111C 2 28,-1.4 28,-2.9 -45,-0.1 2,-0.4 -0.973 85.1 -37.6 147.2-159.8 20.9 4.4 1.4 84 85 L D E -FH 37 110C 23 -47,-2.7 -47,-3.1 -2,-0.3 2,-0.4 -0.844 40.4-160.9-108.7 138.3 20.1 5.4 5.0 85 86 L Y E -FH 36 109C 4 24,-1.8 24,-1.7 -2,-0.4 2,-0.4 -0.963 8.0-170.3-117.3 135.1 18.2 8.5 6.2 86 87 L Y E -F 35 0C 5 -51,-2.4 -51,-2.5 -2,-0.4 2,-0.2 -0.980 9.6-154.1-127.3 132.8 18.4 9.9 9.7 87 88 L a E -F 34 0C 0 -2,-0.4 19,-2.0 -53,-0.2 2,-0.3 -0.623 18.5-174.2 -93.4 164.0 16.3 12.5 11.4 88 89 L Q E +FI 33 105C 0 -55,-1.8 -55,-2.9 -2,-0.2 2,-0.2 -0.936 12.8 159.5-157.7 142.1 17.7 14.5 14.3 89 90 L A E - 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