==== 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 1TJH . 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, . 462 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 64.5 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 39.2 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 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 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 84 0, 0.0 2,-0.2 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 152.9 26.5 -22.9 69.1 2 2 L L - 0 0 3 93,-0.3 2,-0.4 92,-0.1 88,-0.1 -0.477 360.0-136.0 -67.1 129.0 22.9 -23.0 70.2 3 3 L Q - 0 0 143 -2,-0.2 23,-2.5 94,-0.0 2,-0.5 -0.745 16.2-165.2 -95.6 132.6 20.7 -21.1 67.8 4 4 L L E -A 25 0A 18 -2,-0.4 2,-0.6 94,-0.4 96,-0.3 -0.956 2.9-162.3-114.7 129.3 18.0 -18.6 68.8 5 5 L T E -A 24 0A 88 19,-2.8 19,-2.3 -2,-0.5 2,-0.3 -0.934 6.3-162.5-117.2 111.1 15.4 -17.5 66.3 6 6 L Q E -A 23 0A 13 -2,-0.6 17,-0.2 17,-0.2 3,-0.1 -0.645 17.5-126.6 -90.2 148.1 13.5 -14.3 67.2 7 7 L S E S+A 22 0A 40 15,-2.1 15,-2.6 -2,-0.3 2,-0.2 -0.966 77.1 22.4-159.5 140.0 10.2 -13.4 65.4 8 8 L P - 0 0 52 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.607 65.1-156.5 -76.6 167.6 9.0 -11.2 64.0 9 9 L S S S+ 0 0 93 1,-0.2 94,-2.0 -2,-0.2 2,-0.3 0.833 83.8 19.9 -74.1 -33.2 12.2 -9.5 63.0 10 10 L S E -d 103 0B 35 92,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.994 69.3-179.9-139.5 145.0 10.3 -6.3 62.7 11 11 L L E -d 104 0B 45 92,-2.5 94,-2.0 -2,-0.3 2,-0.4 -0.998 13.9-153.6-147.8 139.2 7.0 -5.1 64.1 12 12 L S E +d 105 0B 36 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.940 28.9 153.7-114.4 135.4 4.9 -2.0 63.9 13 13 L A E -d 106 0B 3 92,-2.1 94,-2.4 -2,-0.4 2,-0.3 -0.914 33.2-118.2-150.6 175.7 2.5 -1.0 66.7 14 14 L S > - 0 0 44 -2,-0.3 3,-2.4 92,-0.2 64,-0.3 -0.864 43.0 -82.7-122.2 155.9 0.8 1.9 68.4 15 15 L V T 3 S+ 0 0 76 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.258 119.0 27.4 -53.4 138.1 0.8 3.2 71.9 16 16 L G T 3 S+ 0 0 42 62,-3.4 -1,-0.3 1,-0.3 63,-0.1 0.340 95.1 132.5 88.8 -7.8 -1.5 1.2 74.1 17 17 L D < - 0 0 61 -3,-2.4 61,-3.4 60,-0.2 2,-0.5 -0.240 55.4-128.8 -74.9 166.9 -1.1 -1.9 71.9 18 18 L R + 0 0 167 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.977 32.0 179.3-118.0 117.7 -0.4 -5.4 73.1 19 19 L I E - B 0 75A 11 56,-1.4 56,-2.2 -2,-0.5 2,-0.4 -0.887 15.0-161.5-123.1 154.2 2.5 -7.1 71.4 20 20 L T E - B 0 74A 38 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.992 3.4-168.5-137.8 127.5 4.1 -10.5 71.7 21 21 L I E - B 0 73A 2 52,-2.5 52,-2.6 -2,-0.4 2,-0.3 -0.918 10.9-154.5-114.2 139.2 7.6 -11.6 70.5 22 22 L T E -AB 7 72A 29 -15,-2.6 -15,-2.1 -2,-0.4 2,-0.4 -0.826 8.4-163.6-117.1 157.4 8.8 -15.2 70.4 23 23 L a E -AB 6 71A 0 48,-2.4 48,-1.8 -2,-0.3 2,-0.5 -0.991 7.5-162.7-138.7 122.3 12.2 -16.8 70.6 24 24 L R E -AB 5 70A 121 -19,-2.3 -19,-2.8 -2,-0.4 2,-0.3 -0.936 9.0-148.1-111.0 132.1 12.8 -20.4 69.5 25 25 L A E -A 4 0A 11 44,-2.3 -21,-0.2 -2,-0.5 4,-0.0 -0.766 22.0-125.8-100.7 143.8 15.9 -22.3 70.5 26 26 L S S S- 0 0 68 -23,-2.5 2,-0.3 -2,-0.3 -22,-0.1 0.681 95.6 -6.7 -57.9 -17.9 17.5 -25.0 68.4 27 27 L Q S S- 0 0 94 -24,-0.2 -1,-0.1 41,-0.2 41,-0.1 -0.970 101.5 -52.3-167.1 168.9 17.2 -27.2 71.5 28 28 L G + 0 0 33 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.217 37.1 171.1 -55.9 132.9 16.1 -27.1 75.1 29 29 L V > - 0 0 0 39,-2.2 3,-2.3 1,-0.4 62,-0.2 -0.038 38.2-137.8-128.3 25.6 17.7 -24.4 77.4 30 30 L T T 3 - 0 0 54 1,-0.3 38,-2.7 38,-0.1 -1,-0.4 -0.291 67.1 -35.4 50.6-122.6 15.4 -25.1 80.3 31 31 L S T 3 S+ 0 0 29 36,-0.2 2,-2.3 -3,-0.1 -1,-0.3 0.246 102.5 119.5-111.5 11.2 14.4 -21.7 81.7 32 32 L A < + 0 0 0 -3,-2.3 59,-1.9 18,-0.2 60,-0.5 -0.423 43.1 118.8 -78.8 70.1 17.8 -20.0 81.1 33 33 L L E -E 90 0B 0 -2,-2.3 18,-3.7 57,-0.2 2,-0.3 -0.999 40.2-169.9-138.9 132.6 16.4 -17.3 78.8 34 34 L A E -E 89 0B 0 55,-2.9 55,-1.7 -2,-0.4 2,-0.4 -0.902 9.9-147.2-123.4 153.7 16.5 -13.5 79.3 35 35 L W E -EF 88 48B 0 13,-2.3 12,-3.0 -2,-0.3 13,-1.1 -0.956 15.5-173.5-120.9 138.5 14.8 -10.6 77.5 36 36 L Y E -EF 87 46B 0 51,-2.5 51,-1.7 -2,-0.4 2,-0.4 -0.925 16.6-145.2-130.4 155.4 16.3 -7.1 77.0 37 37 L R E -EF 86 45B 22 8,-2.3 8,-1.6 -2,-0.3 2,-0.5 -0.968 16.4-167.2-117.4 130.8 15.1 -3.8 75.6 38 38 L Q E -E 85 0B 16 47,-3.1 47,-2.2 -2,-0.4 3,-0.1 -0.947 4.9-159.0-127.4 116.8 17.5 -1.6 73.8 39 39 L K > - 0 0 64 -2,-0.5 3,-1.9 4,-0.5 45,-0.1 -0.571 44.7 -80.1 -85.1 151.9 16.9 2.1 72.9 40 40 L P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 -0.237 117.1 8.9 -53.8 132.9 18.9 3.7 70.0 41 41 L G T 3 S+ 0 0 91 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.673 114.6 98.4 69.4 17.3 22.3 4.8 71.2 42 42 L S S < S- 0 0 52 -3,-1.9 -1,-0.2 3,-0.0 3,-0.1 -0.901 75.4-102.9-132.9 161.9 21.9 3.0 74.6 43 43 L P - 0 0 40 0, 0.0 -4,-0.5 0, 0.0 296,-0.1 -0.348 51.2 -82.7 -79.7 164.1 22.9 -0.3 76.1 44 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 293,-0.3 -0.269 41.5-147.9 -62.7 153.8 20.5 -3.3 76.5 45 45 L Q E -F 37 0B 81 -8,-1.6 -8,-2.3 291,-0.1 2,-0.2 -0.996 17.3-117.6-127.2 130.7 18.3 -3.2 79.6 46 46 L L E +F 36 0B 6 289,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.475 40.0 159.7 -70.9 132.4 17.2 -6.4 81.4 47 47 L L E + 0 0 0 -12,-3.0 8,-2.5 1,-0.4 2,-0.4 0.730 65.8 18.0-112.3 -61.0 13.4 -7.0 81.4 48 48 L I E -FG 35 54B 0 -13,-1.1 -13,-2.3 6,-0.2 -1,-0.4 -0.945 62.7-170.7-120.3 137.4 12.9 -10.7 82.1 49 49 L Y E >> S+ G 0 53B 51 4,-2.3 4,-2.1 -2,-0.4 3,-0.6 -0.905 70.3 17.3-123.9 154.0 15.4 -13.2 83.6 50 50 L D T 34 S- 0 0 29 282,-2.0 2,-1.7 -2,-0.3 -16,-0.2 0.889 124.2 -72.7 53.3 42.2 15.1 -17.0 83.9 51 51 L A T 34 S+ 0 0 2 -18,-3.7 -1,-0.3 281,-0.3 21,-0.2 -0.124 127.0 21.2 71.0 -40.3 12.3 -17.0 81.2 52 52 L S T <4 S+ 0 0 75 -2,-1.7 12,-0.4 -3,-0.6 2,-0.4 0.432 86.7 114.1-139.0 1.4 9.5 -15.5 83.3 53 53 L S E < -G 49 0B 35 -4,-2.1 -4,-2.3 10,-0.1 2,-0.5 -0.638 61.3-130.9 -82.3 131.8 10.9 -13.6 86.2 54 54 L L E -G 48 0B 69 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.694 23.6-121.2 -83.4 121.1 10.3 -9.9 86.2 55 55 L E > - 0 0 29 -8,-2.5 3,-2.3 -2,-0.5 -1,-0.1 -0.369 38.3 -96.8 -62.5 134.4 13.4 -7.9 86.9 56 56 L S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.237 111.0 22.6 -52.3 133.5 13.1 -5.7 90.0 57 57 L G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.389 92.0 124.5 89.1 -5.6 12.1 -2.2 88.9 58 58 L V S < S- 0 0 12 -3,-2.3 -1,-0.3 -11,-0.1 -11,-0.1 -0.758 70.8 -98.8 -92.0 134.8 10.7 -3.2 85.5 59 59 L P > - 0 0 49 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.106 25.7-121.5 -50.2 143.4 7.1 -2.1 84.8 60 60 L S T 3 S+ 0 0 111 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.646 103.4 80.6 -62.1 -17.3 4.4 -4.7 85.3 61 61 L R T 3 S+ 0 0 43 14,-0.1 15,-2.4 16,-0.1 2,-0.4 0.726 80.7 79.4 -65.8 -17.9 3.4 -4.4 81.7 62 62 L F E < +C 75 0A 3 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.755 57.3 159.6 -93.4 135.9 6.3 -6.7 80.8 63 63 L S E -C 74 0A 62 11,-1.9 11,-3.0 -2,-0.4 2,-0.3 -0.982 19.2-156.2-149.3 155.4 5.9 -10.4 81.2 64 64 L G E -C 73 0A 10 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.956 9.4-178.7-135.6 156.3 7.7 -13.5 79.9 65 65 L S E +C 72 0A 68 7,-2.3 7,-2.4 -2,-0.3 2,-0.1 -0.977 27.5 74.1-150.5 160.7 6.8 -17.2 79.4 66 66 L G E -C 71 0A 28 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.416 34.9-153.1 121.3 163.7 8.2 -20.5 78.2 67 67 L S + 0 0 89 3,-0.8 2,-0.7 -2,-0.1 3,-0.3 -0.771 69.3 15.1-174.0 125.5 10.6 -23.3 79.1 68 68 L G S S- 0 0 21 -38,-2.7 -39,-2.2 -2,-0.2 -41,-0.2 -0.844 128.7 -19.0 112.4 -96.5 12.5 -25.6 76.8 69 69 L T S S+ 0 0 60 -2,-0.7 -44,-2.3 -41,-0.2 2,-0.4 0.487 119.0 67.5-128.0 -10.0 12.6 -24.4 73.2 70 70 L E E +B 24 0A 80 -3,-0.3 -3,-0.8 -46,-0.2 2,-0.3 -0.967 55.5 168.8-120.5 129.2 9.7 -21.8 72.9 71 71 L F E -BC 23 66A 1 -48,-1.8 -48,-2.4 -2,-0.4 2,-0.4 -0.985 12.1-165.5-139.5 148.8 9.6 -18.5 74.6 72 72 L T E -BC 22 65A 42 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.979 9.3-157.2-136.0 149.0 7.5 -15.3 74.5 73 73 L L E -BC 21 64A 2 -52,-2.6 -52,-2.5 -2,-0.4 2,-0.4 -0.979 19.1-166.4-119.6 131.8 7.8 -11.8 75.7 74 74 L T E -BC 20 63A 29 -11,-3.0 -11,-1.9 -2,-0.4 2,-0.6 -0.977 17.3-164.3-128.3 137.0 4.6 -9.8 76.1 75 75 L I E -BC 19 62A 2 -56,-2.2 -56,-1.4 -2,-0.4 3,-0.3 -0.932 9.1-162.7-116.0 103.0 4.0 -6.1 76.6 76 76 L S S S+ 0 0 61 -15,-2.4 2,-0.5 -2,-0.6 -1,-0.2 0.925 81.3 17.2 -50.5 -54.1 0.4 -5.7 77.8 77 77 L T S S- 0 0 67 -59,-0.1 -1,-0.2 -16,-0.1 -59,-0.2 -0.922 84.0-132.1-129.1 107.5 0.2 -2.0 77.0 78 78 L L - 0 0 0 -61,-3.4 -62,-3.4 -2,-0.5 -61,-0.1 -0.306 23.8-162.2 -59.6 129.9 2.8 -0.4 74.7 79 79 L R > - 0 0 104 -64,-0.2 3,-2.5 -63,-0.1 4,-0.2 -0.792 31.3-108.9-111.4 156.0 4.3 2.8 76.0 80 80 L P G > S+ 0 0 65 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.862 119.4 55.2 -52.7 -39.9 6.2 5.4 74.0 81 81 L E G 3 S+ 0 0 88 1,-0.2 -3,-0.0 -42,-0.0 0, 0.0 0.481 95.5 73.1 -74.5 2.1 9.5 4.5 75.6 82 82 L D G < + 0 0 0 -3,-2.5 2,-1.0 2,-0.1 -1,-0.2 0.497 62.8 103.3 -94.1 -5.3 8.9 0.9 74.4 83 83 L F < + 0 0 28 -3,-1.3 2,-0.3 -4,-0.2 22,-0.1 -0.699 62.3 93.0 -79.0 108.4 9.5 1.5 70.7 84 84 L A S S- 0 0 8 -2,-1.0 20,-2.6 18,-0.1 2,-0.4 -0.877 80.2 -64.2-169.0-162.9 13.0 -0.1 70.5 85 85 L T E -EH 38 103B 38 -47,-2.2 -47,-3.1 -2,-0.3 2,-0.4 -0.902 41.1-158.2-111.1 137.5 14.7 -3.3 69.7 86 86 L Y E -EH 37 102B 0 16,-2.1 16,-1.9 -2,-0.4 2,-0.3 -0.903 7.4-170.8-116.5 144.0 14.3 -6.4 71.9 87 87 L Y E -E 36 0B 14 -51,-1.7 -51,-2.5 -2,-0.4 2,-0.3 -0.972 12.2-148.7-133.2 148.0 16.7 -9.4 72.2 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.4 -53,-0.2 2,-0.3 -0.774 15.7-169.5-108.1 156.7 16.5 -12.8 73.8 89 89 L Q E -EI 34 98B 0 -55,-1.7 -55,-2.9 -2,-0.3 2,-0.4 -0.983 11.5-148.4-147.7 136.4 19.6 -14.5 75.2 90 90 L Q E +EI 33 97B 0 7,-2.1 7,-1.1 -2,-0.3 -57,-0.2 -0.890 12.9 179.7-107.5 137.7 20.1 -18.1 76.5 91 91 L L + 0 0 0 -59,-1.9 369,-0.3 -2,-0.4 -58,-0.1 -0.058 60.7 92.8-123.7 30.1 22.5 -18.8 79.2 92 92 L H S S+ 0 0 18 -60,-0.5 366,-2.9 1,-0.2 2,-0.3 0.799 90.9 31.4 -91.3 -34.2 22.1 -22.6 79.5 93 93 L F E S-J 457 0C 18 364,-0.3 364,-0.2 -61,-0.2 -1,-0.2 -0.889 94.2 -85.8-122.5 154.5 24.9 -23.5 77.1 94 94 L Y E S+J 456 0C 12 362,-2.9 362,-0.6 -2,-0.3 2,-0.1 -0.805 106.7 47.6 -96.6 141.3 28.2 -21.9 76.2 95 95 L P S S- 0 0 14 0, 0.0 -93,-0.3 0, 0.0 -2,-0.2 0.626 90.8-135.1 -80.0 151.1 28.7 -19.8 74.3 96 96 L H - 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