==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 04-JUN-04 1TJI . COMPND 2 MOLECULE: ANTI-HIV-1 ANTIBODY 2F5 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.OFEK,M.TANG,A.SAMBOR,H.KATINGER,J.R.MASCOLA,R.WYATT, . 465 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 38.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.6 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-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 . 43 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 7 6 2 5 8 1 0 1 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 0 5 0 2 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 A 0 0 53 0, 0.0 2,-0.4 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0-177.1 26.3 -23.1 68.6 2 2 L L - 0 0 3 93,-0.3 2,-0.4 92,-0.1 88,-0.1 -0.481 360.0-142.5 -65.7 119.5 22.7 -22.9 69.9 3 3 L Q - 0 0 142 -2,-0.4 23,-2.3 94,-0.0 2,-0.5 -0.702 11.3-160.5 -90.3 135.0 20.7 -20.8 67.4 4 4 L L E -A 25 0A 19 -2,-0.4 2,-0.7 94,-0.3 96,-0.4 -0.959 2.2-160.6-115.0 122.0 18.0 -18.4 68.5 5 5 L T E -A 24 0A 86 19,-3.2 19,-2.6 -2,-0.5 2,-0.4 -0.900 7.0-165.7-107.8 113.9 15.4 -17.2 66.0 6 6 L Q E -A 23 0A 13 -2,-0.7 17,-0.2 17,-0.2 94,-0.1 -0.808 19.0-129.3 -97.9 135.3 13.6 -14.1 67.0 7 7 L S E S+A 22 0A 39 15,-2.3 15,-2.7 -2,-0.4 2,-0.2 -0.997 73.4 23.6-149.6 144.0 10.5 -13.1 65.2 8 8 L P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.621 63.2-156.2 -78.5 172.0 9.3 -10.9 63.8 9 9 L S S S+ 0 0 91 1,-0.2 94,-2.4 -2,-0.2 2,-0.3 0.808 83.1 20.9 -77.9 -31.9 12.4 -9.0 62.8 10 10 L S E -d 103 0B 31 92,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.994 69.3-174.4-139.4 146.1 10.3 -5.8 62.6 11 11 L L E -d 104 0B 41 92,-2.2 94,-2.6 -2,-0.3 2,-0.4 -0.998 14.0-148.8-146.2 137.8 7.0 -4.8 64.1 12 12 L S E +d 105 0B 25 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.872 31.6 153.4-105.1 136.1 4.7 -1.8 63.8 13 13 L A E -d 106 0B 1 92,-2.2 94,-2.5 -2,-0.4 2,-0.3 -0.956 32.6-127.0-154.6 170.5 2.5 -0.7 66.7 14 14 L S > - 0 0 44 -2,-0.3 3,-2.7 92,-0.2 64,-0.3 -0.888 44.3 -82.0-123.7 155.3 0.8 2.1 68.4 15 15 L V T 3 S+ 0 0 82 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.301 120.4 26.6 -53.7 130.5 0.9 3.5 72.0 16 16 L G T 3 S+ 0 0 40 62,-3.0 -1,-0.3 1,-0.3 63,-0.1 0.287 93.4 131.4 97.5 -10.8 -1.4 1.3 74.0 17 17 L D < - 0 0 62 -3,-2.7 61,-3.5 60,-0.2 2,-0.5 -0.249 55.9-128.4 -72.8 165.2 -1.1 -1.7 71.8 18 18 L R - 0 0 168 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.971 32.0-177.1-115.8 117.8 -0.3 -5.2 73.1 19 19 L I E - B 0 75A 11 56,-1.7 56,-2.2 -2,-0.5 2,-0.4 -0.887 15.0-161.0-121.6 153.7 2.6 -6.9 71.4 20 20 L T E - B 0 74A 51 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.998 4.3-165.7-133.2 129.2 4.2 -10.3 71.6 21 21 L I E - B 0 73A 1 52,-2.6 52,-2.5 -2,-0.4 2,-0.3 -0.948 11.9-150.5-116.3 135.9 7.7 -11.2 70.4 22 22 L T E -AB 7 72A 25 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.4 -0.728 11.4-169.9-109.0 156.5 8.9 -14.8 70.0 23 23 L a E -AB 6 71A 0 48,-2.1 48,-2.0 -2,-0.3 2,-0.5 -0.975 7.0-164.2-144.0 123.0 12.2 -16.5 70.3 24 24 L R E -AB 5 70A 105 -19,-2.6 -19,-3.2 -2,-0.4 2,-0.4 -0.948 7.8-149.8-114.4 131.6 12.9 -20.1 69.2 25 25 L A E -A 4 0A 10 44,-2.2 -21,-0.2 -2,-0.5 3,-0.1 -0.797 20.1-131.0-100.1 139.9 15.9 -22.1 70.2 26 26 L S S S+ 0 0 65 -23,-2.3 2,-0.3 -2,-0.4 429,-0.1 0.621 94.8 5.5 -62.6 -11.7 17.4 -24.8 68.0 27 27 L Q S S- 0 0 19 -24,-0.2 -1,-0.1 41,-0.1 41,-0.1 -0.958 102.6 -62.7-167.8 154.0 17.4 -27.0 71.2 28 28 L G + 0 0 35 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.088 36.4 172.5 -46.4 127.4 16.2 -26.8 74.8 29 29 L V > - 0 0 0 39,-2.5 3,-2.3 1,-0.4 62,-0.2 -0.005 36.1-140.8-122.0 23.5 17.7 -24.2 77.0 30 30 L T T 3 - 0 0 52 1,-0.3 38,-2.9 38,-0.1 -1,-0.4 -0.314 67.3 -33.8 50.7-114.3 15.4 -25.0 79.9 31 31 L S T 3 S+ 0 0 30 36,-0.2 2,-2.4 -2,-0.2 -1,-0.3 0.279 102.1 118.6-118.4 9.4 14.5 -21.6 81.4 32 32 L A < + 0 0 0 -3,-2.3 59,-2.1 18,-0.2 60,-0.4 -0.395 42.9 121.5 -77.6 66.2 17.8 -19.8 80.8 33 33 L L E -E 90 0B 0 -2,-2.4 18,-3.4 57,-0.2 2,-0.3 -0.995 39.1-170.6-134.3 127.5 16.4 -17.1 78.5 34 34 L A E -E 89 0B 0 55,-2.7 55,-1.6 -2,-0.4 2,-0.4 -0.892 9.7-148.3-118.7 150.3 16.6 -13.4 79.1 35 35 L W E -EF 88 48B 0 13,-2.4 12,-3.0 -2,-0.3 13,-1.0 -0.951 15.5-173.2-118.5 138.0 15.0 -10.4 77.3 36 36 L Y E -EF 87 46B 0 51,-2.7 51,-1.8 -2,-0.4 2,-0.4 -0.917 16.9-144.3-129.6 154.6 16.4 -6.9 76.8 37 37 L R E -EF 86 45B 23 8,-2.8 8,-2.1 -2,-0.3 2,-0.5 -0.963 16.6-168.9-116.4 131.7 15.3 -3.6 75.5 38 38 L Q E -E 85 0B 17 47,-3.3 47,-2.5 -2,-0.4 3,-0.1 -0.970 2.6-163.5-126.9 121.6 17.8 -1.4 73.6 39 39 L K > - 0 0 70 -2,-0.5 3,-2.5 4,-0.4 45,-0.1 -0.721 43.7 -76.7 -98.8 151.7 17.1 2.2 72.7 40 40 L P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.130 117.5 6.3 -46.5 131.7 19.1 4.1 70.1 41 41 L G T 3 S+ 0 0 91 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.428 114.2 99.1 73.4 -1.4 22.5 5.1 71.4 42 42 L S S < S- 0 0 56 -3,-2.5 -1,-0.2 1,-0.0 3,-0.1 -0.728 74.8-106.0-116.9 165.2 22.0 3.2 74.6 43 43 L P - 0 0 39 0, 0.0 -4,-0.4 0, 0.0 -6,-0.1 -0.477 51.9 -81.2 -83.9 159.6 23.1 -0.1 76.1 44 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 293,-0.3 -0.228 42.7-149.2 -58.3 150.2 20.7 -3.1 76.4 45 45 L Q E -F 37 0B 85 -8,-2.1 -8,-2.8 291,-0.1 2,-0.2 -0.990 17.6-116.8-125.6 131.5 18.5 -3.0 79.5 46 46 L L E +F 36 0B 6 289,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.466 38.7 161.4 -71.5 134.5 17.3 -6.2 81.2 47 47 L L E + 0 0 0 -12,-3.0 8,-2.4 1,-0.4 2,-0.4 0.732 66.0 17.5-112.9 -61.8 13.5 -6.9 81.2 48 48 L I E -FG 35 54B 0 -13,-1.0 -13,-2.4 6,-0.2 -1,-0.4 -0.960 62.9-170.1-121.7 132.1 13.0 -10.6 81.9 49 49 L Y E >> S+ G 0 53B 48 4,-2.5 4,-1.9 -2,-0.4 3,-0.6 -0.832 70.2 18.5-117.4 157.8 15.4 -13.0 83.4 50 50 L D T 34 S- 0 0 30 282,-2.0 2,-1.2 -2,-0.3 -16,-0.2 0.852 125.0 -71.3 52.3 39.3 15.2 -16.8 83.7 51 51 L A T 34 S+ 0 0 2 -18,-3.4 -1,-0.3 281,-0.3 21,-0.2 -0.110 127.0 16.9 74.7 -38.3 12.4 -16.9 81.0 52 52 L S T <4 S+ 0 0 72 -2,-1.2 12,-0.5 -3,-0.6 2,-0.4 0.452 86.7 115.5-143.7 -2.5 9.6 -15.3 83.0 53 53 L S E < -G 49 0B 37 -4,-1.9 -4,-2.5 10,-0.1 2,-0.5 -0.610 62.8-128.4 -77.9 127.6 10.9 -13.6 86.1 54 54 L L E -G 48 0B 72 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.629 23.9-121.2 -78.5 121.4 10.4 -9.8 86.1 55 55 L E > - 0 0 25 -8,-2.4 3,-2.2 -2,-0.5 -1,-0.1 -0.358 37.8 -95.2 -63.5 137.5 13.6 -7.9 86.7 56 56 L S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.267 110.5 20.0 -54.9 131.8 13.3 -5.6 89.8 57 57 L G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.374 91.9 125.8 89.8 -5.7 12.4 -2.1 88.8 58 58 L V S < S- 0 0 12 -3,-2.2 -1,-0.3 -11,-0.1 -11,-0.1 -0.739 70.9-100.0 -90.1 133.1 11.0 -3.1 85.4 59 59 L P > - 0 0 50 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.084 27.2-121.7 -48.1 146.6 7.4 -1.9 84.7 60 60 L S T 3 S+ 0 0 112 1,-0.3 16,-0.1 -3,-0.1 -2,-0.0 0.599 101.6 83.0 -69.6 -10.6 4.7 -4.6 85.2 61 61 L R T 3 S+ 0 0 45 14,-0.1 15,-2.2 16,-0.1 2,-0.4 0.729 78.9 81.2 -67.1 -18.2 3.6 -4.2 81.6 62 62 L F E < +C 75 0A 4 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.743 56.9 162.4 -91.3 134.3 6.5 -6.6 80.7 63 63 L S E -C 74 0A 60 11,-2.2 11,-3.1 -2,-0.4 2,-0.3 -0.975 18.1-156.3-145.7 155.0 6.0 -10.3 81.1 64 64 L G E +C 73 0A 10 -12,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.967 10.6 179.9-135.7 152.9 7.8 -13.4 79.7 65 65 L S E +C 72 0A 67 7,-2.3 7,-2.3 -2,-0.3 2,-0.2 -0.977 26.8 68.8-149.8 161.1 6.8 -17.0 79.1 66 66 L G E -C 71 0A 31 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.543 37.5-147.9 121.8 173.0 8.1 -20.3 77.9 67 67 L S + 0 0 88 3,-1.0 2,-0.9 -2,-0.2 3,-0.4 -0.737 69.0 15.2-179.6 129.3 10.5 -23.1 78.7 68 68 L G S S- 0 0 21 -38,-2.9 -39,-2.5 -2,-0.2 -41,-0.1 -0.801 129.4 -18.4 105.8 -93.7 12.5 -25.4 76.5 69 69 L T S S+ 0 0 58 -2,-0.9 -44,-2.2 -41,-0.2 2,-0.5 0.534 119.3 67.5-128.3 -14.5 12.6 -24.0 73.0 70 70 L E E +B 24 0A 86 -3,-0.4 -3,-1.0 -46,-0.2 2,-0.3 -0.951 55.0 165.1-117.1 127.4 9.7 -21.5 72.6 71 71 L F E -BC 23 66A 0 -48,-2.0 -48,-2.1 -2,-0.5 2,-0.3 -0.958 13.6-165.6-137.3 154.1 9.6 -18.2 74.5 72 72 L T E -BC 22 65A 39 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -1.000 10.2-153.6-144.0 142.3 7.7 -15.0 74.2 73 73 L L E -BC 21 64A 1 -52,-2.5 -52,-2.6 -2,-0.3 2,-0.4 -0.935 20.7-165.1-110.8 134.1 8.0 -11.5 75.6 74 74 L T E -BC 20 63A 13 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.6 -0.973 18.9-166.4-128.5 139.8 4.8 -9.6 76.0 75 75 L I E -BC 19 62A 1 -56,-2.2 -56,-1.7 -2,-0.4 3,-0.3 -0.955 9.9-163.8-120.6 104.2 4.2 -5.9 76.6 76 76 L S S S+ 0 0 58 -15,-2.2 2,-0.4 -2,-0.6 -1,-0.2 0.903 80.9 20.0 -56.5 -47.0 0.5 -5.5 77.6 77 77 L T S S- 0 0 68 -59,-0.1 -1,-0.3 -16,-0.1 -59,-0.2 -0.898 84.6-134.4-131.8 104.1 0.3 -1.8 76.9 78 78 L L - 0 0 0 -61,-3.5 -62,-3.0 -2,-0.4 -61,-0.2 -0.307 21.7-162.5 -60.3 127.8 2.9 -0.3 74.6 79 79 L R > - 0 0 110 -64,-0.2 3,-2.6 -63,-0.1 4,-0.3 -0.767 32.4-107.4-109.0 156.5 4.4 3.0 75.9 80 80 L P G > S+ 0 0 60 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.843 119.7 56.4 -51.8 -37.3 6.3 5.6 73.9 81 81 L E G 3 S+ 0 0 76 1,-0.2 -3,-0.0 -42,-0.0 0, 0.0 0.526 94.3 71.7 -75.0 -1.8 9.6 4.6 75.4 82 82 L D G < + 0 0 0 -3,-2.6 2,-1.2 2,-0.1 -1,-0.2 0.485 64.1 103.9 -91.5 -4.5 9.0 1.0 74.3 83 83 L F < + 0 0 35 -3,-1.3 2,-0.2 -4,-0.3 22,-0.1 -0.693 63.4 93.7 -78.6 102.4 9.6 1.7 70.6 84 84 L A S S- 0 0 8 -2,-1.2 20,-2.5 18,-0.1 2,-0.4 -0.849 80.3 -66.6-164.7-163.0 13.0 0.2 70.4 85 85 L T E -EH 38 103B 39 -47,-2.5 -47,-3.3 -2,-0.2 2,-0.4 -0.907 41.6-157.7-111.4 137.8 14.9 -3.0 69.6 86 86 L Y E -EH 37 102B 0 16,-2.1 16,-1.6 -2,-0.4 2,-0.3 -0.899 6.9-169.9-118.0 145.7 14.5 -6.1 71.7 87 87 L Y E -E 36 0B 14 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.3 -0.972 11.3-151.5-134.1 147.1 16.8 -9.1 72.1 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.3 -53,-0.2 2,-0.3 -0.773 15.2-168.6-108.9 157.8 16.7 -12.6 73.7 89 89 L Q E -EI 34 98B 0 -55,-1.6 -55,-2.7 -2,-0.3 2,-0.4 -0.985 12.0-145.7-148.0 137.9 19.7 -14.3 75.0 90 90 L Q E +EI 33 97B 0 7,-2.5 7,-1.3 -2,-0.3 -57,-0.2 -0.902 14.7 178.4-108.3 136.2 20.2 -17.9 76.2 91 91 L L + 0 0 0 -59,-2.1 372,-0.3 -2,-0.4 -58,-0.1 -0.042 60.7 91.4-123.0 28.2 22.6 -18.7 79.0 92 92 L H S S+ 0 0 18 -60,-0.4 369,-2.8 1,-0.1 2,-0.3 0.792 91.7 31.5 -91.3 -32.7 22.1 -22.5 79.2 93 93 L F E S-J 460 0C 20 367,-0.3 367,-0.2 2,-0.2 -1,-0.1 -0.894 93.7 -85.5-124.5 154.7 25.0 -23.4 76.8 94 94 L Y E S+J 459 0C 13 365,-3.0 365,-0.7 -2,-0.3 2,-0.1 -0.838 107.5 46.8 -98.4 138.1 28.3 -21.8 76.0 95 95 L P S S- 0 0 16 0, 0.0 -93,-0.3 0, 0.0 -2,-0.2 0.582 91.9-135.0 -78.9 150.5 28.7 -19.6 74.1 96 96 L H - 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