==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 01-SEP-11 3TNM . COMPND 2 MOLECULE: FAB HEAVY CHAIN OF HUMAN ANTI-HIV-1 ENV ANTIBODY . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.WU,M.PAZGIER . 859 6 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 350 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 89 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 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 . 3 2 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 0 PARALLEL BRIDGES PER LADDER . 9 8 12 7 8 11 4 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 6 3 6 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 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 H Q 0 0 179 0, 0.0 2,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0-165.0 -9.3 73.0 42.2 2 2 H V - 0 0 11 26,-0.1 2,-0.4 25,-0.1 24,-0.2 -0.511 360.0-167.9 -72.2 138.7 -12.0 71.4 44.4 3 3 H Q E -A 25 0A 121 22,-2.9 22,-2.9 -2,-0.2 2,-0.4 -0.983 12.1-147.8-130.9 146.0 -11.2 67.9 45.5 4 4 H L E -A 24 0A 7 109,-0.6 2,-0.4 -2,-0.4 111,-0.4 -0.927 13.8-170.0-113.7 135.1 -13.5 65.3 47.1 5 5 H Q E -A 23 0A 96 18,-2.1 18,-2.9 -2,-0.4 2,-0.2 -0.976 8.5-148.9-132.5 120.2 -12.1 62.8 49.6 6 6 H E E -A 22 0A 28 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.621 8.0-168.0 -88.2 147.2 -14.0 59.7 51.0 7 7 H S E +A 21 0A 70 14,-2.4 14,-2.4 -2,-0.2 110,-0.1 -0.977 18.0 160.8-126.6 144.9 -13.6 58.1 54.4 8 8 H G - 0 0 38 -2,-0.3 12,-0.1 12,-0.2 110,-0.1 -0.924 48.5-107.1-156.8 173.3 -15.1 54.7 55.3 9 9 H P - 0 0 73 0, 0.0 2,-1.2 0, 0.0 110,-0.1 0.603 39.4-141.4 -81.1 -24.7 -14.9 51.7 57.7 10 10 H G S S+ 0 0 38 108,-0.2 110,-2.6 107,-0.0 2,-0.4 -0.421 79.9 32.1 88.6 -53.1 -13.3 49.2 55.3 11 11 H L E +d 120 0B 74 -2,-1.2 2,-0.3 108,-0.2 110,-0.2 -0.987 64.5 178.1-135.4 140.4 -15.4 46.2 56.5 12 12 H V E -d 121 0B 15 108,-2.2 110,-1.9 -2,-0.4 6,-0.1 -0.990 25.8-122.5-138.8 149.9 -18.9 46.1 58.0 13 13 H K > - 0 0 99 -2,-0.3 3,-2.0 108,-0.2 74,-0.3 -0.659 39.6 -92.8 -91.9 146.3 -21.0 43.1 59.1 14 14 H P T 3 S+ 0 0 39 0, 0.0 74,-0.2 0, 0.0 -1,-0.1 -0.204 112.1 29.8 -52.8 145.1 -24.4 42.3 57.7 15 15 H S T 3 S+ 0 0 90 72,-2.2 71,-0.4 1,-0.3 2,-0.1 0.166 102.1 106.2 82.5 -15.0 -27.4 43.9 59.5 16 16 H Q S < S- 0 0 110 -3,-2.0 71,-1.9 71,-0.2 2,-0.4 -0.368 76.6 -99.7 -86.7 172.0 -25.2 46.8 60.5 17 17 H T - 0 0 66 68,-0.2 2,-0.7 69,-0.2 68,-0.2 -0.773 23.9-143.8 -92.9 134.1 -25.2 50.4 59.2 18 18 H L E - B 0 84A 0 66,-3.0 66,-2.5 -2,-0.4 2,-0.6 -0.857 17.6-169.6 -94.3 118.8 -22.6 51.5 56.7 19 19 H S E + B 0 83A 56 -2,-0.7 2,-0.3 64,-0.2 64,-0.2 -0.919 7.0 178.3-112.6 116.1 -21.5 55.1 57.3 20 20 H L E - B 0 82A 0 62,-2.9 62,-2.3 -2,-0.6 2,-0.4 -0.913 10.0-156.9-115.6 149.8 -19.4 56.9 54.7 21 21 H S E -AB 7 81A 26 -14,-2.4 -14,-2.4 -2,-0.3 2,-0.5 -0.963 6.1-163.2-130.1 139.3 -18.1 60.5 54.6 22 22 H a E -AB 6 80A 0 58,-3.1 58,-2.0 -2,-0.4 2,-0.5 -0.969 9.8-159.7-121.9 116.5 -17.0 62.8 51.8 23 23 H T E -AB 5 79A 42 -18,-2.9 -18,-2.1 -2,-0.5 2,-0.5 -0.874 9.2-146.3 -98.7 132.3 -14.9 65.9 52.7 24 24 H V E +A 4 0A 13 54,-3.2 2,-0.3 -2,-0.5 -20,-0.2 -0.831 24.2 176.3 -99.9 128.5 -14.9 68.7 50.2 25 25 H S E +A 3 0A 38 -22,-2.9 -22,-2.9 -2,-0.5 3,-0.2 -0.912 41.4 52.5-132.3 155.8 -11.6 70.6 49.9 26 26 H G S S- 0 0 50 -2,-0.3 -1,-0.1 -24,-0.2 -22,-0.0 0.886 118.3 -42.7 86.2 43.3 -10.1 73.4 47.8 27 27 H G - 0 0 62 -3,-0.1 2,-0.2 -25,-0.1 -1,-0.1 -0.033 67.1-178.0 108.0 -32.4 -12.5 76.4 47.9 28 28 H S - 0 0 37 -3,-0.2 -26,-0.1 1,-0.1 -3,-0.1 -0.109 9.3-162.5 51.0 -97.0 -16.0 74.8 47.5 29 29 H S - 0 0 95 -2,-0.2 -1,-0.1 1,-0.0 2,-0.0 0.929 28.1-112.5 72.5 94.0 -18.5 77.8 47.4 30 30 H S + 0 0 113 2,-0.1 2,-0.3 3,-0.0 -1,-0.0 -0.270 47.4 167.6 -61.2 132.4 -22.0 76.5 48.1 31 31 H S > - 0 0 39 3,-0.1 3,-1.7 -2,-0.0 24,-0.4 -0.998 47.6-129.3-151.9 138.4 -24.3 76.8 45.1 32 32 H G T 3 S+ 0 0 34 -2,-0.3 -2,-0.1 1,-0.3 24,-0.0 0.460 106.6 70.1 -68.2 -1.4 -27.7 75.5 44.0 33 33 H A T 3 S+ 0 0 17 68,-0.1 69,-2.0 69,-0.0 2,-0.4 0.471 89.1 78.1 -91.8 -6.2 -26.0 74.4 40.8 34 34 H H E < -E 101 0C 17 -3,-1.7 21,-0.8 67,-0.2 2,-0.5 -0.889 58.4-169.7-109.2 140.0 -24.2 71.6 42.7 35 35 H Y E -EF 100 54C 33 65,-2.2 65,-3.2 -2,-0.4 2,-0.7 -0.990 18.8-139.0-125.4 122.9 -25.6 68.3 43.9 36 35AH W E -EF 99 53C 32 17,-2.7 17,-1.7 -2,-0.5 2,-0.3 -0.769 34.4-175.7 -90.4 118.9 -23.6 66.2 46.3 37 35BH S E -EF 98 52C 1 61,-3.1 61,-2.2 -2,-0.7 2,-0.4 -0.722 27.1-148.0-119.1 157.6 -23.9 62.5 45.2 38 36 H W E +EF 97 51C 0 13,-2.0 12,-2.7 -2,-0.3 13,-1.3 -0.965 19.7 174.3-119.3 141.6 -23.0 59.0 46.0 39 37 H I E -EF 96 49C 0 57,-2.2 57,-3.3 -2,-0.4 2,-0.3 -0.987 13.1-154.0-141.7 136.3 -22.4 56.3 43.4 40 38 H R E -EF 95 48C 11 8,-2.8 8,-2.6 -2,-0.3 2,-0.5 -0.880 2.2-153.2-117.7 154.9 -21.2 52.7 44.0 41 39 H Q E -EF 94 47C 26 53,-2.6 53,-2.5 -2,-0.3 6,-0.2 -0.974 17.6-136.2-130.1 124.6 -19.4 50.3 41.7 42 40 H Y > - 0 0 44 4,-1.8 3,-1.7 -2,-0.5 2,-0.6 -0.277 41.1 -74.9 -81.9 159.4 -19.7 46.6 42.1 43 41 H P T 3 S- 0 0 84 0, 0.0 -1,-0.2 0, 0.0 343,-0.2 -0.325 116.3 -27.6 -49.9 101.0 -17.0 43.9 42.0 44 42 H G T 3 S+ 0 0 59 -2,-0.6 2,-0.1 1,-0.2 -2,-0.1 0.588 125.4 114.1 61.4 9.5 -16.4 43.9 38.3 45 43 H K < - 0 0 122 -3,-1.7 -1,-0.2 1,-0.2 0, 0.0 -0.245 69.3 -79.4-100.3-170.6 -20.0 45.0 37.9 46 44 H G - 0 0 11 1,-0.1 -4,-1.8 -5,-0.1 2,-0.3 -0.040 48.0 -86.8 -82.6-174.0 -21.7 48.2 36.7 47 45 H L E -F 41 0C 28 276,-0.5 2,-0.4 -6,-0.2 275,-0.3 -0.728 31.5-164.5 -96.5 143.3 -22.3 51.6 38.4 48 46 H E E -F 40 0C 35 -8,-2.6 -8,-2.8 -2,-0.3 2,-0.4 -0.969 15.4-140.4-129.8 123.3 -25.3 52.5 40.5 49 47 H W E -F 39 0C 5 -2,-0.4 -10,-0.3 271,-0.4 3,-0.1 -0.651 17.6-172.1 -73.5 124.5 -26.3 56.0 41.4 50 48 H I E - 0 0 3 -12,-2.7 12,-2.6 -2,-0.4 2,-0.3 0.874 44.0 -80.6 -91.6 -42.4 -27.3 56.0 45.1 51 49 H G E -FG 38 61C 0 -13,-1.3 -13,-2.0 10,-0.3 -1,-0.3 -0.947 37.1-122.4 163.3 179.0 -28.8 59.6 45.6 52 50 H Y E -FG 37 60C 27 8,-2.5 8,-2.3 -2,-0.3 2,-0.4 -0.932 3.0-142.5-142.7 173.8 -27.9 63.2 46.3 53 51 H I E -FG 36 59C 5 -17,-1.7 -17,-2.7 -2,-0.3 2,-0.4 -0.988 26.5-168.1-133.5 136.5 -28.4 66.1 48.6 54 52 H H E >> -FG 35 58C 40 4,-3.0 3,-1.9 -2,-0.4 4,-1.0 -0.975 38.8 -45.2-135.3 143.8 -28.7 69.6 47.1 55 53 H Y T 34 S+ 0 0 146 -21,-0.8 -23,-0.0 -24,-0.4 -22,-0.0 -0.069 126.3 22.3 49.6-108.1 -28.6 73.1 48.4 56 54 H S T 34 S- 0 0 103 1,-0.1 -1,-0.3 -2,-0.0 -24,-0.0 0.501 127.2 -82.2 -77.2 0.4 -30.7 73.8 51.4 57 55 H G T <4 S+ 0 0 29 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.468 77.2 152.2 112.1 9.2 -30.4 70.1 52.2 58 56 H N E < -G 54 0C 90 -4,-1.0 -4,-3.0 -5,-0.1 -1,-0.3 -0.393 29.3-154.1 -64.4 141.8 -33.2 68.5 50.1 59 57 H T E -G 53 0C 58 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.785 17.7-166.3-117.9 160.6 -32.4 64.9 49.1 60 58 H Y E -G 52 0C 71 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.3 -0.946 14.7-165.0-146.6 127.0 -33.3 62.6 46.3 61 59 H Y E -G 51 0C 40 -2,-0.3 -10,-0.3 -10,-0.2 5,-0.1 -0.865 31.8-100.2-115.3 145.5 -32.7 58.9 46.6 62 60 H N >> - 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