==== 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 HYDROLASE/HYDROLASE INHIBITOR 11-MAR-99 3BTD . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 278 3 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 1 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 0 0 1 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 16 E I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.2 19.8 65.2 13.5 2 17 E V B +A 171 0A 13 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.842 360.0 8.1 -99.1 133.9 23.6 65.8 13.2 3 18 E G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.661 101.7 121.8 73.5 18.9 25.9 62.8 13.4 4 19 E G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.101 54.6-117.3 -97.7-160.9 23.1 60.2 13.3 5 20 E Y E -B 137 0B 107 132,-2.4 132,-3.7 -3,-0.1 2,-0.4 -0.922 35.4 -86.1-138.5 159.2 22.1 57.3 11.0 6 21 E T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.545 36.0-150.2 -67.7 122.4 19.1 56.4 8.8 7 22 E a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.888 36.7-111.7 -62.1 -46.1 16.5 54.8 11.0 8 23 E G > - 0 0 25 127,-0.5 3,-1.8 4,-0.1 4,-0.3 0.010 49.4 -53.5 115.3 136.4 15.0 52.5 8.4 9 24 E A T 3 S- 0 0 62 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.147 119.0 -15.5 -46.8 118.5 11.5 52.8 7.0 10 25 E N T 3 S+ 0 0 51 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.769 90.8 128.6 55.6 35.6 8.9 52.9 9.8 11 26 E T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.521 76.3 49.0 -91.0 -10.4 11.2 51.6 12.5 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.638 74.1 171.8-126.3 75.2 10.1 54.6 14.7 13 28 E P T 3 S+ 0 0 32 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.535 71.3 58.9 -64.5 -14.4 6.3 54.2 14.2 14 29 E Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.462 81.5 107.1 -94.0 -4.4 5.4 56.9 16.8 15 30 E Q E < -K 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.586 48.1-177.9 -77.1 131.5 7.3 59.6 15.0 16 31 E V E -K 27 0C 1 11,-2.3 11,-1.0 -2,-0.3 2,-0.4 -0.876 21.2-134.6-126.7 161.1 5.1 62.2 13.2 17 32 E S E -KL 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.949 13.1-142.3-114.2 135.0 5.9 65.2 11.0 18 33 E L E -KL 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.1 -0.904 25.5-166.5 -98.2 122.3 4.0 68.5 11.6 19 34 E N E +KL 23 47C 18 28,-3.0 28,-2.4 -2,-0.6 4,-0.2 -0.934 30.0 165.8-118.4 130.8 3.3 70.0 8.2 20 37 E S S S- 0 0 37 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.304 96.5 -46.8-131.1 44.8 2.2 73.6 7.4 21 38 E G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.319 140.0 22.4 103.8 -7.8 3.0 73.4 3.6 22 39 E Y S S- 0 0 53 -4,-0.0 -2,-2.5 0, 0.0 2,-0.4 -0.900 104.4 -75.2-176.3 160.1 6.3 71.9 4.6 23 40 E H E +K 19 0C 10 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.547 52.6 156.7 -69.4 123.4 7.8 70.0 7.5 24 41 E F E + 0 0 0 -6,-2.4 215,-2.3 1,-0.4 2,-0.3 0.606 61.2 2.8-122.4 -18.2 8.5 72.4 10.4 25 42 E b E -K 18 0C 0 -7,-1.1 -7,-3.3 213,-0.2 -1,-0.4 -0.970 61.0-126.2-160.8 165.6 8.5 70.2 13.5 26 43 E G E +K 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.402 24.3 179.9-106.5-174.7 8.3 66.6 14.7 27 44 E G E -K 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.2 2,-0.4 -0.957 23.7-113.8-175.6 168.9 6.0 65.0 17.3 28 45 E S E -KM 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.7 -0.979 19.3-131.6-124.3 136.6 5.1 61.7 19.0 29 46 E L E + M 0 35C 0 -15,-2.4 74,-2.3 -2,-0.4 6,-0.2 -0.761 33.9 162.6 -85.0 116.2 1.9 59.8 18.7 30 47 E I E + 0 0 22 4,-1.7 2,-0.3 -2,-0.7 5,-0.2 0.426 69.3 18.0-113.2 1.0 0.9 58.8 22.3 31 48 E N E > S- M 0 34C 59 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.958 86.5-103.3-164.4 152.8 -2.8 58.0 21.5 32 49 E S T 3 S+ 0 0 42 -2,-0.3 62,-3.3 1,-0.3 60,-0.1 0.683 125.9 27.4 -60.4 -14.9 -4.6 57.1 18.3 33 50 E Q T 3 S+ 0 0 61 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.395 114.0 72.5-126.2 1.7 -6.0 60.6 18.4 34 51 E W E < -MN 31 89C 7 -3,-0.8 -4,-1.7 55,-0.2 -3,-1.3 -0.957 48.7-173.8-129.2 143.4 -3.3 62.6 20.3 35 52 E V E -MN 29 88C 0 53,-2.2 53,-3.0 -2,-0.4 2,-0.4 -0.968 12.9-148.7-129.2 140.6 0.2 63.8 19.5 36 53 E V E +MN 28 87C 1 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.909 32.1 143.0-111.6 138.9 2.7 65.5 21.8 37 54 E S E - N 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.786 50.7 -59.0-150.9-165.9 5.2 68.1 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.2 47,-0.2 -0.660 33.5-131.1 -91.9 147.4 6.8 71.4 21.6 39 56 E A G > S+ 0 0 4 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.836 108.1 60.5 -63.4 -33.3 4.9 74.5 22.5 40 57 E H G 3 S+ 0 0 11 1,-0.3 -1,-0.3 41,-0.1 198,-0.1 0.612 93.7 67.0 -72.7 -6.7 7.2 76.6 20.2 41 58 E b G < S+ 0 0 0 -3,-1.5 2,-0.3 2,-0.0 -1,-0.3 0.273 72.3 132.1 -90.0 6.1 6.0 74.4 17.3 42 59 E Y < + 0 0 124 -3,-1.6 2,-0.3 217,-0.1 -3,-0.0 -0.494 25.5 150.1 -63.8 129.4 2.5 76.0 17.8 43 60 E K - 0 0 48 -2,-0.3 3,-0.5 0, 0.0 2,-0.2 -0.973 44.7-112.6-155.1 152.6 1.1 77.1 14.4 44 61 E S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.538 96.7 31.2 -88.1 157.9 -2.4 77.4 12.9 45 62 E G S S+ 0 0 68 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.841 79.6 174.9 66.2 37.6 -3.3 75.1 10.1 46 63 E I - 0 0 6 -3,-0.5 21,-2.1 -26,-0.1 2,-0.5 -0.562 16.7-164.0 -79.2 134.7 -1.2 72.1 11.2 47 64 E Q E -LO 19 66C 54 -28,-2.4 -28,-3.0 -2,-0.3 2,-0.5 -0.981 12.5-144.3-116.6 127.7 -1.5 68.8 9.3 48 65 E V E -LO 18 65C 0 17,-3.0 17,-2.9 -2,-0.5 2,-0.6 -0.798 9.8-158.3 -94.9 131.1 -0.0 65.8 11.0 49 66 E R E -LO 17 64C 49 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.952 12.4-175.9-115.6 119.0 1.7 63.2 8.8 50 67 E L E + O 0 63C 1 13,-2.9 13,-1.5 -2,-0.6 -34,-0.1 -0.678 61.2 30.8-108.1 162.3 2.0 59.7 10.2 51 69 E G S S+ 0 0 5 -36,-0.4 10,-0.2 48,-0.3 2,-0.2 0.706 84.7 155.5 63.5 23.0 3.7 56.6 8.8 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.508 21.4 150.7 -84.9 146.7 6.3 58.8 7.1 53 71 E D S S+ 0 0 19 1,-0.3 2,-0.9 4,-0.2 -1,-0.2 0.352 79.7 33.7-130.2 -72.8 9.8 57.8 6.0 54 72 E N S > S- 0 0 25 80,-0.2 3,-0.9 3,-0.2 -1,-0.3 -0.781 72.7-162.6 -87.3 107.6 10.7 59.9 3.0 55 73 E I T 3 S+ 0 0 27 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.536 83.0 57.9 -68.9 -7.2 8.8 63.2 3.7 56 74 E N T 3 S+ 0 0 106 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.629 103.5 45.4 -98.3 -17.4 9.2 64.2 0.1 57 75 E V S < S- 0 0 73 -3,-0.9 2,-0.5 76,-0.2 -4,-0.2 -0.979 80.8-115.8-131.0 143.5 7.5 61.4 -1.8 58 76 E V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.620 34.5 172.1 -75.5 123.4 4.2 59.5 -1.2 59 77 E E - 0 0 104 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.349 48.7-108.8-113.0 -1.2 5.1 55.9 -0.5 60 78 E G S S+ 0 0 69 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.325 100.2 84.8 93.9 -11.2 1.7 54.6 0.5 61 79 E N + 0 0 51 -10,-0.2 -9,-0.1 38,-0.0 2,-0.1 0.424 69.1 114.7-102.4 3.2 2.0 54.0 4.3 62 80 E E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.288 43.8-170.5 -77.0 155.8 1.1 57.6 5.1 63 81 E Q E -O 50 0C 50 -13,-1.5 -13,-2.9 -2,-0.1 2,-0.6 -0.976 8.7-162.5-141.8 117.9 -1.9 59.1 6.9 64 82 E F E +O 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.970 17.4 170.0-106.0 121.3 -2.3 62.8 6.7 65 83 E I E -O 48 0C 14 -17,-2.9 -17,-3.0 -2,-0.6 2,-0.1 -0.997 26.3-133.0-134.7 127.5 -4.7 64.1 9.4 66 84 E S E -O 47 0C 57 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.383 28.0-105.9 -78.3 158.2 -5.2 67.7 10.3 67 85 E A E -P 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.628 24.4-171.8 -81.2 139.6 -5.3 68.9 13.9 68 86 E S E S+ 0 0 60 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.673 76.7 17.3-100.0 -25.6 -8.6 69.8 15.4 69 87 E K E -P 89 0C 83 20,-1.3 20,-3.0 2,-0.0 2,-0.4 -0.998 57.1-164.7-147.0 144.8 -7.1 71.3 18.6 70 88 E S E -P 88 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.972 11.6-170.4-132.7 111.5 -3.7 72.5 19.7 71 89 E I E -P 87 0C 41 16,-3.6 16,-2.8 -2,-0.4 2,-0.2 -0.906 3.6-163.6-111.1 108.1 -3.2 72.9 23.5 72 90 E V E -P 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.600 42.2 -87.7 -83.3 145.4 0.0 74.6 24.6 73 91 E H > - 0 0 21 12,-2.5 3,-2.4 10,-0.3 -1,-0.1 -0.339 35.5-127.6 -55.4 129.9 0.9 74.1 28.3 74 92 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.751 108.0 45.0 -52.4 -25.2 -0.8 76.9 30.3 75 93 E S T 3 S+ 0 0 70 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.174 77.4 139.5-107.5 17.3 2.5 77.9 31.8 76 94 E Y < - 0 0 54 -3,-2.4 2,-0.5 9,-0.1 7,-0.2 -0.397 38.8-155.3 -60.7 135.2 4.7 77.8 28.7 77 95 E N > - 0 0 67 5,-2.1 4,-2.1 1,-0.1 5,-0.3 -0.969 9.0-162.3-118.5 114.0 7.1 80.8 28.8 78 96 E S T 4 S+ 0 0 74 -2,-0.5 183,-0.4 2,-0.2 -1,-0.1 0.676 90.3 49.3 -69.5 -18.9 8.3 81.9 25.4 79 97 E N T 4 S+ 0 0 82 1,-0.1 -1,-0.2 181,-0.1 -2,-0.0 0.931 123.4 26.4 -85.2 -50.2 11.2 83.8 26.9 80 98 E T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.592 95.7-132.6 -87.9 -15.3 12.7 81.1 29.3 81 99 E L >< + 0 0 2 -4,-2.1 3,-0.8 1,-0.3 2,-0.2 0.594 51.5 154.6 71.7 14.7 11.4 78.1 27.2 82 100 E N T 3 + 0 0 34 -5,-0.3 -5,-2.1 1,-0.2 -1,-0.3 -0.504 62.4 17.7 -75.8 138.5 10.1 76.6 30.5 83 101 E N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.871 76.3 176.7 67.6 42.2 7.1 74.1 30.0 84 102 E D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.502 34.0 117.8 -79.1 73.7 7.8 73.7 26.3 85 103 E I + 0 0 0 -2,-2.2 -12,-2.5 -47,-0.2 2,-0.3 -0.995 35.7 177.5-144.1 145.1 5.1 71.2 25.7 86 104 E M E -NP 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.995 17.9-144.2-149.2 146.1 2.0 71.0 23.6 87 105 E L E -NP 36 71C 0 -16,-2.8 -16,-3.6 -2,-0.3 2,-0.5 -0.928 12.5-161.1-114.3 133.9 -0.8 68.5 22.8 88 106 E I E -NP 35 70C 0 -53,-3.0 -53,-2.2 -2,-0.4 2,-0.4 -0.975 7.4-149.4-118.7 122.6 -2.4 68.2 19.4 89 107 E K E -NP 34 69C 38 -20,-3.0 -21,-2.8 -2,-0.5 -20,-1.3 -0.781 19.0-129.7 -91.9 131.9 -5.7 66.5 18.9 90 108 E L E - 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