==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 30-JAN-10 3LMJ . COMPND 2 MOLECULE: HEAVY CHAIN OF ANTI HIV FAB FROM HUMAN 21C ANTIBO . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.DISKIN,P.M.MARCOVECCHIO,P.J.BJORKMAN . 440 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 38.0 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 . 4 0.9 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-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 . 41 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 4 8 3 4 6 1 1 0 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 . 0 0 4 1 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 H Q 0 0 120 0, 0.0 2,-0.6 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 68.6 9.9 -13.6 -1.9 2 2 H V + 0 0 44 24,-0.2 2,-0.3 22,-0.1 24,-0.2 -0.468 360.0 166.9 -78.0 112.1 9.9 -16.7 -4.2 3 3 H Q E -A 25 0A 122 22,-0.8 22,-2.6 -2,-0.6 2,-0.4 -0.885 17.1-165.5-117.8 153.3 8.6 -20.0 -2.7 4 4 H V E -A 24 0A 16 -2,-0.3 2,-0.5 111,-0.3 113,-0.4 -0.991 9.1-172.1-138.8 120.1 7.6 -23.3 -4.4 5 5 H V E -A 23 0A 68 18,-3.2 18,-3.2 -2,-0.4 2,-0.2 -0.960 2.8-164.0-128.5 122.3 5.6 -26.0 -2.5 6 6 H Q E -A 22 0A 7 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.608 27.2 -96.7-100.4 164.1 4.8 -29.5 -3.7 7 7 H S - 0 0 31 14,-1.6 -1,-0.1 -2,-0.2 3,-0.1 -0.189 52.6 -83.5 -74.0 168.5 2.2 -32.1 -2.6 8 8 H G - 0 0 46 1,-0.2 -1,-0.1 111,-0.1 13,-0.1 -0.162 51.9 -72.3 -79.4 168.5 3.1 -34.9 -0.2 9 9 H A - 0 0 20 109,-0.1 2,-0.3 112,-0.1 112,-0.2 -0.187 52.3-166.1 -56.4 143.1 4.7 -38.4 -0.6 10 10 H E E -d 121 0B 60 110,-2.0 112,-2.7 -3,-0.1 2,-0.4 -0.963 18.0-149.1-136.7 144.7 2.6 -41.0 -2.3 11 11 H V E +d 122 0B 26 -2,-0.3 2,-0.3 110,-0.2 112,-0.2 -0.956 23.5 177.1-107.3 138.2 2.6 -44.8 -2.7 12 12 H R E -d 123 0B 71 110,-2.5 112,-2.2 -2,-0.4 114,-0.1 -0.991 27.7-113.9-138.7 150.9 1.0 -46.2 -5.9 13 13 H K > - 0 0 110 -2,-0.3 3,-2.1 110,-0.2 73,-0.2 -0.362 46.2 -86.1 -79.6 151.6 0.6 -49.7 -7.3 14 14 H P T 3 S+ 0 0 75 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.388 118.6 26.5 -57.0 139.2 2.3 -50.8 -10.5 15 15 H G T 3 S+ 0 0 58 71,-3.0 70,-0.5 1,-0.3 72,-0.1 0.193 102.3 106.5 88.9 -10.6 0.1 -49.9 -13.5 16 16 H A < - 0 0 39 -3,-2.1 70,-2.4 70,-0.2 2,-0.3 -0.074 65.2-117.7 -89.7-171.4 -1.6 -47.0 -11.6 17 17 H S - 0 0 46 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.873 15.9-157.3-123.3 154.8 -1.1 -43.2 -12.1 18 18 H V E - B 0 83A 1 65,-2.0 65,-2.5 -2,-0.3 2,-0.4 -0.978 1.6-159.3-126.7 151.5 0.1 -40.4 -9.8 19 19 H K E - B 0 82A 105 -2,-0.3 2,-0.4 63,-0.2 63,-0.2 -0.959 9.4-165.6-130.7 111.0 -0.6 -36.6 -10.0 20 20 H V E - B 0 81A 0 61,-2.6 61,-2.5 -2,-0.4 2,-0.3 -0.782 6.8-151.0 -97.6 135.9 1.9 -34.2 -8.2 21 21 H S E - B 0 80A 20 -2,-0.4 -14,-1.6 59,-0.2 2,-0.3 -0.736 7.0-164.9-102.8 163.5 1.0 -30.6 -7.6 22 22 H a E -AB 6 79A 0 57,-1.6 57,-2.6 -2,-0.3 2,-0.5 -0.909 4.5-164.0-150.6 102.7 3.3 -27.6 -7.3 23 23 H K E -AB 5 78A 111 -18,-3.2 -18,-3.2 -2,-0.3 2,-0.4 -0.865 9.9-164.3 -98.1 130.3 2.1 -24.2 -5.8 24 24 H V E -A 4 0A 8 53,-2.3 2,-0.3 -2,-0.5 -20,-0.2 -0.907 8.4-178.8-116.1 135.8 4.2 -21.1 -6.5 25 25 H S E +A 3 0A 58 -22,-2.6 -22,-0.8 -2,-0.4 3,-0.0 -0.871 61.9 40.7-122.5 165.1 4.2 -17.8 -4.7 26 26 H G S S+ 0 0 50 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 0.599 112.6 54.6 81.4 13.2 6.1 -14.5 -5.2 27 27 H F S S- 0 0 38 -3,-0.1 2,-0.5 -26,-0.1 -3,-0.1 -0.868 83.7-117.7-176.6 136.8 5.9 -14.9 -9.0 28 28 H T - 0 0 105 -2,-0.3 2,-0.1 -3,-0.0 -3,-0.1 -0.734 26.6-127.1 -93.9 124.1 3.0 -15.3 -11.5 29 29 H L - 0 0 3 -2,-0.5 48,-0.1 45,-0.2 49,-0.1 -0.411 12.8-158.0 -66.7 140.6 2.9 -18.5 -13.6 30 30 H T - 0 0 89 -2,-0.1 -1,-0.1 47,-0.0 44,-0.1 0.654 44.0-105.6 -90.6 -16.2 2.6 -17.8 -17.3 31 31 H G S S+ 0 0 29 42,-0.1 41,-0.1 40,-0.1 -2,-0.1 0.037 120.3 57.9 100.3 -22.5 1.1 -21.1 -18.4 32 32 H L S S+ 0 0 82 1,-0.1 19,-0.4 25,-0.0 -3,-0.0 0.233 80.6 94.0-116.1 5.6 4.6 -22.0 -19.8 33 33 H S + 0 0 9 17,-0.1 66,-0.5 65,-0.1 2,-0.4 0.794 60.2 82.9 -78.7 -33.9 6.7 -21.6 -16.6 34 34 H I - 0 0 7 64,-0.1 2,-0.3 65,-0.1 17,-0.2 -0.619 46.4-174.9 -94.3 129.5 7.0 -25.0 -15.0 35 35 H H E -E 97 0B 6 62,-2.5 62,-1.8 -2,-0.4 2,-0.4 -0.853 16.1-142.6-105.2 151.7 9.5 -27.8 -15.8 36 36 H W E +EF 96 49B 2 13,-2.3 12,-3.2 -2,-0.3 13,-1.5 -0.973 20.6 174.1-117.1 137.3 9.5 -31.2 -14.1 37 37 H V E -EF 95 47B 0 58,-2.7 58,-3.3 -2,-0.4 2,-0.3 -0.990 9.9-161.6-136.7 137.9 12.6 -33.2 -13.2 38 38 H R E -EF 94 46B 9 8,-2.7 8,-2.9 -2,-0.3 2,-0.3 -0.803 7.7-159.0-121.9 168.6 12.8 -36.4 -11.3 39 39 H Q E -EF 93 45B 21 54,-2.0 54,-2.9 -2,-0.3 6,-0.1 -0.907 11.1-147.6-148.9 109.9 15.5 -38.3 -9.4 40 40 H A > - 0 0 24 4,-0.5 3,-2.7 -2,-0.3 52,-0.2 -0.449 52.5 -71.7 -73.4 154.1 15.4 -42.1 -8.7 41 41 H P T 3 S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.227 118.7 -2.3 -57.6 128.1 17.1 -43.1 -5.4 42 42 H G T 3 S+ 0 0 93 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.541 115.0 104.4 71.0 12.2 20.8 -42.7 -5.7 43 43 H K S < S- 0 0 143 -3,-2.7 -1,-0.2 1,-0.1 2,-0.1 -0.479 71.5 -87.5-120.6 178.5 20.7 -41.6 -9.4 44 44 H G - 0 0 24 -2,-0.1 -4,-0.5 1,-0.1 2,-0.2 -0.292 50.6 -79.6 -83.8 175.5 21.1 -38.4 -11.3 45 45 H L E -F 39 0B 11 284,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.508 42.6-164.8 -74.2 141.1 18.5 -35.7 -12.3 46 46 H E E -F 38 0B 58 -8,-2.9 -8,-2.7 -2,-0.2 2,-0.2 -0.977 15.5-134.4-131.1 113.6 16.3 -36.6 -15.3 47 47 H W E -F 37 0B 14 -2,-0.4 -10,-0.3 279,-0.3 3,-0.1 -0.495 20.4-177.3 -67.4 138.9 14.3 -33.9 -17.0 48 48 H M E - 0 0 0 -12,-3.2 13,-2.4 1,-0.3 2,-0.3 0.772 52.7 -47.4-103.1 -38.7 10.7 -35.0 -17.8 49 49 H G E +FG 36 60B 0 -13,-1.5 -13,-2.3 11,-0.2 -1,-0.3 -0.933 58.0 134.3 174.0 163.4 9.3 -32.0 -19.7 50 50 H G E - G 0 59B 0 9,-2.0 9,-2.4 -2,-0.3 2,-0.4 -0.949 56.1 -48.0 163.5-172.7 8.7 -28.3 -20.1 51 51 H F E - G 0 58B 43 -19,-0.4 7,-0.2 -2,-0.3 3,-0.1 -0.708 51.5-164.3 -89.3 128.0 8.7 -25.4 -22.5 52 52 H G > - 0 0 3 5,-0.6 4,-0.6 -2,-0.4 5,-0.1 -0.690 31.6-101.9-105.5 165.4 11.8 -25.0 -24.7 53 53 H P T >4 S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.926 107.8 34.2 -43.0 -72.7 13.1 -22.1 -26.8 54 54 H E T 34 S+ 0 0 169 1,-0.2 -3,-0.0 2,-0.1 266,-0.0 0.777 106.2 54.3 -58.1 -53.9 12.0 -23.2 -30.3 55 55 H E T 34 S- 0 0 77 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.453 78.2-138.3 -91.3 -2.7 8.8 -25.1 -30.4 56 56 H N S << S+ 0 0 135 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.1 0.533 75.2 78.4 69.7 3.0 6.2 -22.9 -28.7 57 57 H E S S- 0 0 117 -5,-0.1 -5,-0.6 -7,-0.1 -2,-0.2 -0.987 93.6 -80.7-140.5 154.1 4.7 -25.9 -26.9 58 58 H I E -G 51 0B 73 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.246 46.6-155.7 -42.3 129.8 5.3 -28.1 -24.0 59 59 H I E -G 50 0B 22 -9,-2.4 -9,-2.0 0, 0.0 2,-0.4 -0.878 3.1-155.2-119.7 140.9 7.9 -30.8 -24.8 60 60 H Y E -G 49 0B 46 -2,-0.3 -11,-0.2 -11,-0.2 5,-0.1 -0.976 25.8-107.4-121.9 140.9 8.3 -34.3 -23.1 61 61 H A >> - 0 0 25 -13,-2.4 3,-2.4 -2,-0.4 4,-0.7 -0.357 36.7-113.6 -63.9 146.5 11.4 -36.5 -22.9 62 62 H Q T 34 S+ 0 0 124 1,-0.3 3,-0.3 2,-0.2 4,-0.3 0.726 112.4 62.3 -64.8 -23.3 11.0 -39.5 -25.1 63 63 H K T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.623 113.6 34.0 -69.0 -21.8 10.9 -41.9 -22.2 64 64 H F T X4 S+ 0 0 1 -3,-2.4 3,-2.2 -16,-0.2 4,-0.3 0.451 86.1 111.2-111.2 -1.6 7.7 -40.4 -20.9 65 65 H Q G >< S+ 0 0 104 -4,-0.7 3,-0.8 -3,-0.3 -2,-0.1 0.862 78.0 41.0 -51.7 -58.4 6.0 -39.4 -24.1 66 66 H G G 3 S+ 0 0 88 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.456 125.3 35.9 -71.8 6.6 3.0 -41.8 -24.3 67 67 H R G < S+ 0 0 32 -3,-2.2 17,-2.3 17,-0.0 2,-0.3 0.160 92.6 83.7-152.4 27.3 2.2 -41.5 -20.6 68 68 H V E < -C 83 0A 17 -3,-0.8 2,-0.4 -4,-0.3 15,-0.2 -0.977 42.9-169.0-133.7 151.6 2.8 -38.0 -19.0 69 69 H S E -C 82 0A 55 13,-2.0 13,-2.8 -2,-0.3 2,-0.5 -0.966 1.1-169.2-142.6 130.0 0.8 -34.9 -18.8 70 70 H M E +C 81 0A 17 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.959 13.6 171.8-123.5 117.4 1.9 -31.5 -17.6 71 71 H T E -C 80 0A 69 9,-2.1 9,-2.7 -2,-0.5 2,-0.4 -0.842 17.8-157.0-125.1 163.5 -0.6 -28.7 -16.9 72 72 H E E -C 79 0A 41 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.980 6.0-155.0-150.3 120.6 -0.4 -25.2 -15.4 73 73 H D E >>> -C 78 0A 62 5,-2.9 5,-1.3 -2,-0.4 3,-1.1 -0.838 5.6-170.2-112.2 93.6 -3.3 -23.4 -13.9 74 74 H T T 345S+ 0 0 84 -2,-0.8 3,-0.2 1,-0.3 -45,-0.2 0.774 83.9 54.3 -62.1 -32.2 -2.8 -19.6 -14.0 75 75 H S T 345S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.803 118.4 36.3 -71.0 -23.6 -5.8 -18.6 -11.8 76 76 H T T <45S- 0 0 70 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.488 99.0-133.8-104.6 -3.2 -4.5 -21.0 -9.0 77 77 H N T <5 + 0 0 31 -4,-0.9 -53,-2.3 1,-0.2 2,-0.4 0.776 66.3 127.6 42.1 40.6 -0.8 -20.4 -9.5 78 78 H T E < -BC 23 73A 2 -5,-1.3 -5,-2.9 -55,-0.2 2,-0.3 -0.925 46.1-157.2-127.1 143.2 -0.5 -24.2 -9.3 79 79 H A E -BC 22 72A 0 -57,-2.6 -57,-1.6 -2,-0.4 2,-0.4 -0.882 8.3-158.7-120.2 149.4 1.2 -26.7 -11.7 80 80 H Y E -BC 21 71A 65 -9,-2.7 -9,-2.1 -2,-0.3 2,-0.4 -0.967 10.5-166.4-133.7 144.3 0.5 -30.4 -12.1 81 81 H M E -BC 20 70A 0 -61,-2.5 -61,-2.6 -2,-0.4 2,-0.5 -0.983 8.5-168.6-127.1 125.0 2.3 -33.4 -13.4 82 82 H E E -BC 19 69A 67 -13,-2.8 -13,-2.0 -2,-0.4 2,-0.5 -0.944 3.3-175.6-115.1 123.3 0.5 -36.7 -14.1 83 83 H L E -BC 18 68A 0 -65,-2.5 -65,-2.0 -2,-0.5 3,-0.2 -0.972 9.9-175.1-118.2 124.4 2.5 -39.9 -14.8 84 84 H S + 0 0 43 -17,-2.3 -67,-0.2 -2,-0.5 -68,-0.1 -0.507 57.7 42.2-117.8 179.6 0.6 -43.1 -15.7 85 85 H S S S- 0 0 75 -70,-0.5 -1,-0.2 -2,-0.2 -68,-0.2 0.890 83.6-160.0 46.5 48.3 1.4 -46.8 -16.3 86 86 H L - 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