==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAR-99 3BTK . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.HELLAND,J.OTLEWSKI,O.SUNDHEIM,M.DADLEZ,A.O.SMALAS . 277 4 9 7 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 60.6 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 28.5 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 . 24 8.7 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 . 21 7.6 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 0.000 360.0 360.0 360.0 114.7 19.7 65.1 13.5 2 17 E V B +A 171 0A 10 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.837 360.0 6.7 -95.3 130.4 23.5 65.7 13.2 3 18 E G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.702 101.0 122.0 74.7 23.1 25.7 62.6 13.3 4 19 E G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.162 54.6-116.0-101.3-162.9 22.9 60.1 13.3 5 20 E Y E -B 137 0B 117 132,-2.5 132,-3.5 -3,-0.1 2,-0.5 -0.892 35.7 -85.7-133.9 163.9 22.0 57.2 11.0 6 21 E T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.591 35.9-151.8 -72.0 117.7 19.1 56.3 8.7 7 22 E a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.891 36.5-115.2 -57.7 -44.0 16.5 54.7 11.0 8 23 E G > - 0 0 24 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 -0.060 49.2 -48.7 111.8 141.5 15.0 52.5 8.3 9 24 E A T 3 S- 0 0 62 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.162 118.5 -18.7 -48.8 119.1 11.5 52.7 6.9 10 25 E N T 3 S+ 0 0 59 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.770 89.7 130.0 53.7 35.8 8.9 52.9 9.7 11 26 E T S < S+ 0 0 85 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.483 75.2 51.6 -91.7 -6.8 11.2 51.5 12.4 12 27 E V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.673 74.1 174.6-127.3 74.3 10.1 54.4 14.6 13 28 E P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.625 73.0 56.7 -56.9 -23.6 6.3 54.0 14.2 14 29 E Y T 3 S+ 0 0 23 86,-0.2 15,-2.0 88,-0.1 2,-0.4 0.456 80.2 108.9 -92.3 -4.5 5.4 56.7 16.7 15 30 E Q E < -K 28 0C 4 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.612 48.1-176.7 -75.4 128.4 7.3 59.4 14.9 16 31 E V E -K 27 0C 1 11,-2.5 11,-1.0 -2,-0.4 2,-0.4 -0.884 20.6-135.8-124.1 159.3 5.1 62.0 13.2 17 32 E S E -KL 26 49C 1 32,-2.3 32,-3.0 -2,-0.3 2,-0.6 -0.944 12.1-143.6-112.9 133.1 5.8 65.0 11.0 18 33 E L E -KL 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.1 -0.905 24.9-166.2 -96.7 121.9 3.9 68.3 11.6 19 34 E N E +KL 23 47C 17 28,-3.2 28,-2.5 -2,-0.6 4,-0.2 -0.920 30.0 167.5-117.5 131.4 3.3 69.8 8.2 20 37 E S S S- 0 0 40 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.266 96.5 -47.9-129.7 42.3 2.2 73.4 7.4 21 38 E G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.267 140.0 23.6 105.5 -10.2 2.9 73.2 3.7 22 39 E Y S S- 0 0 57 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.903 105.5 -74.7-172.3 161.0 6.3 71.7 4.5 23 40 E H E +K 19 0C 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.512 52.9 156.8 -68.9 127.3 7.8 69.8 7.5 24 41 E F E + 0 0 0 -6,-2.4 215,-2.5 1,-0.4 2,-0.3 0.554 61.3 2.6-127.3 -16.2 8.4 72.2 10.3 25 42 E b E -K 18 0C 0 -7,-1.1 -7,-3.3 213,-0.2 -1,-0.4 -0.977 60.8-127.7-163.3 163.5 8.5 70.0 13.5 26 43 E G E -K 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.402 24.1-180.0-105.7-173.2 8.2 66.4 14.7 27 44 E G E -K 16 0C 0 -11,-1.0 -11,-2.5 -2,-0.2 2,-0.4 -0.949 24.0-111.9-175.8 169.8 5.9 64.9 17.3 28 45 E S E -KM 15 36C 2 8,-2.7 8,-2.9 -2,-0.3 2,-0.7 -0.971 20.2-130.5-123.6 136.1 5.1 61.6 19.0 29 46 E L E + M 0 35C 0 -15,-2.0 74,-2.3 -2,-0.4 6,-0.2 -0.737 27.9 172.1 -83.7 113.8 1.9 59.6 18.7 30 47 E I E - 0 0 19 4,-1.7 2,-0.3 -2,-0.7 -1,-0.2 0.702 69.1 -6.7 -95.8 -23.4 0.7 58.7 22.3 31 48 E N E > S- M 0 34C 52 3,-1.4 3,-1.0 70,-0.1 -1,-0.3 -0.933 90.8 -78.9-157.3 172.4 -2.7 57.2 21.3 32 49 E S T 3 S+ 0 0 42 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.630 127.9 26.0 -55.8 -15.0 -4.8 56.9 18.1 33 50 E Q T 3 S+ 0 0 61 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.422 110.1 74.4-130.2 1.4 -6.0 60.5 18.3 34 51 E W E < -MN 31 89C 9 -3,-1.0 -4,-1.7 55,-0.2 -3,-1.4 -0.952 48.1-173.3-126.7 143.0 -3.3 62.4 20.3 35 52 E V E -MN 29 88C 0 53,-2.3 53,-2.6 -2,-0.4 2,-0.4 -0.965 13.1-147.8-128.7 138.6 0.1 63.7 19.5 36 53 E V E +MN 28 87C 1 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.2 -0.916 33.0 143.4-108.5 136.6 2.7 65.3 21.8 37 54 E S E - N 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.738 50.5 -63.3-147.8-165.7 5.1 67.9 20.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.734 33.1-128.4 -95.9 149.8 6.7 71.2 21.7 39 56 E A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.832 108.7 60.0 -62.1 -35.2 4.9 74.3 22.6 40 57 E H G 3 S+ 0 0 10 1,-0.3 -1,-0.3 41,-0.1 198,-0.1 0.575 93.5 68.1 -73.3 -6.1 7.1 76.4 20.2 41 58 E b G < S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.296 71.0 129.8 -88.9 4.6 5.8 74.3 17.4 42 59 E Y < + 0 0 131 -3,-1.6 2,-0.3 217,-0.1 -3,-0.0 -0.481 26.3 150.0 -63.7 130.4 2.4 75.8 17.7 43 60 E K - 0 0 41 -2,-0.2 3,-0.4 0, 0.0 2,-0.2 -0.962 45.5-110.4-155.4 153.4 1.1 76.9 14.4 44 61 E S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.600 97.2 31.4 -88.5 155.0 -2.4 77.2 12.9 45 62 E G S S+ 0 0 70 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.840 79.2 175.9 71.3 35.2 -3.4 74.9 10.1 46 63 E I - 0 0 6 -3,-0.4 21,-2.2 -26,-0.1 2,-0.5 -0.546 16.3-164.6 -77.0 133.7 -1.3 71.9 11.2 47 64 E Q E -LO 19 66C 49 -28,-2.5 -28,-3.2 -2,-0.3 2,-0.5 -0.979 13.2-144.0-115.4 127.0 -1.5 68.7 9.2 48 65 E V E -LO 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.6 -0.790 9.6-156.7 -93.5 131.2 -0.1 65.6 11.0 49 66 E R E -LO 17 64C 49 -32,-3.0 -32,-2.3 -2,-0.5 3,-0.3 -0.950 13.4-175.5-114.2 117.8 1.7 63.1 8.8 50 67 E L E + O 0 63C 2 13,-2.9 13,-1.6 -2,-0.6 -34,-0.1 -0.704 61.5 28.6-107.7 158.8 1.9 59.5 10.2 51 69 E G S S+ 0 0 7 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.735 85.4 155.1 64.2 25.3 3.7 56.5 8.8 52 70 E E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.548 21.0 151.0 -85.9 145.7 6.2 58.7 7.0 53 71 E D S S+ 0 0 15 1,-0.4 2,-0.9 4,-0.2 -1,-0.2 0.360 78.9 34.4-129.0 -73.9 9.7 57.7 6.0 54 72 E N S > S- 0 0 26 80,-0.2 3,-0.8 3,-0.2 -1,-0.4 -0.773 73.3-162.5 -85.3 108.4 10.6 59.8 2.9 55 73 E I T 3 S+ 0 0 25 78,-2.7 -1,-0.1 -2,-0.9 79,-0.1 0.512 82.4 56.1 -72.2 -4.2 8.8 63.1 3.7 56 74 E N T 3 S+ 0 0 107 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.614 104.7 47.2-101.6 -18.3 9.0 64.2 0.1 57 75 E V S < S- 0 0 76 -3,-0.8 2,-0.7 76,-0.2 -4,-0.2 -0.976 81.1-117.5-128.1 144.6 7.4 61.3 -1.8 58 76 E V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.672 33.9 173.0 -79.0 113.6 4.2 59.4 -1.2 59 77 E E - 0 0 104 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.462 48.3-107.9 -99.3 -8.4 5.2 55.9 -0.5 60 78 E G S S+ 0 0 64 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.072 100.2 83.8 107.8 -28.5 1.8 54.4 0.5 61 79 E N S S+ 0 0 47 -10,-0.2 -9,-0.1 2,-0.0 38,-0.1 0.508 70.2 115.5 -88.3 -1.3 2.0 53.8 4.3 62 80 E E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.206 43.8-170.4 -72.8 158.2 1.1 57.4 5.1 63 81 E Q E -O 50 0C 46 -13,-1.6 -13,-2.9 2,-0.0 2,-0.6 -0.968 8.7-161.8-144.6 116.8 -1.9 58.9 6.8 64 82 E F E +O 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 17.2 172.9-104.8 122.1 -2.3 62.7 6.7 65 83 E I E -O 48 0C 15 -17,-2.8 -17,-3.0 -2,-0.6 -2,-0.0 -0.994 26.5-129.6-134.9 127.5 -4.7 64.0 9.4 66 84 E S E -O 47 0C 58 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.339 28.4-110.6 -71.3 156.2 -5.5 67.6 10.2 67 85 E A E -P 90 0C 24 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.678 24.8-172.0 -86.0 140.5 -5.3 68.7 13.8 68 86 E S E S+ 0 0 61 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.724 75.1 17.6 -99.3 -30.9 -8.6 69.6 15.4 69 87 E K E -P 89 0C 82 20,-1.3 20,-2.9 2,-0.0 2,-0.5 -1.000 57.3-165.6-142.6 143.2 -7.2 71.0 18.6 70 88 E S E -P 88 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.968 12.0-170.0-130.8 110.2 -3.7 72.3 19.7 71 89 E I E -P 87 0C 39 16,-3.8 16,-3.1 -2,-0.5 2,-0.3 -0.904 3.6-163.0-109.4 110.7 -3.2 72.7 23.4 72 90 E V E -P 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.653 42.1 -88.5 -85.9 142.6 -0.0 74.4 24.6 73 91 E H > - 0 0 20 12,-2.6 3,-2.3 10,-0.3 -1,-0.1 -0.272 35.6-128.4 -52.9 130.1 0.9 73.9 28.2 74 92 E P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.779 107.7 45.7 -53.4 -27.1 -0.8 76.7 30.2 75 93 E S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.173 78.0 139.2-104.0 17.8 2.4 77.7 31.9 76 94 E Y < - 0 0 51 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.429 38.7-156.3 -62.5 133.5 4.6 77.6 28.7 77 95 E N > - 0 0 69 5,-2.0 4,-2.2 1,-0.1 5,-0.4 -0.965 8.5-161.2-117.1 113.9 7.0 80.6 28.8 78 96 E S T 4 S+ 0 0 71 -2,-0.6 183,-0.4 1,-0.2 -1,-0.1 0.677 90.7 49.0 -69.0 -17.9 8.2 81.7 25.4 79 97 E N T 4 S+ 0 0 81 1,-0.1 -1,-0.2 181,-0.1 -3,-0.0 0.914 123.2 26.6 -87.2 -46.5 11.1 83.5 26.9 80 98 E T T 4 S- 0 0 62 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.603 95.4-134.1 -90.7 -14.2 12.5 80.9 29.3 81 99 E L >< + 0 0 2 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.630 50.0 155.7 69.0 15.8 11.2 78.0 27.2 82 100 E N T 3 + 0 0 35 -5,-0.4 -5,-2.0 1,-0.2 -1,-0.2 -0.513 62.8 17.4 -74.2 141.2 9.9 76.4 30.5 83 101 E N T 3 S+ 0 0 18 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.875 77.4 176.8 64.5 42.1 7.0 73.9 30.0 84 102 E D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.494 33.5 117.9 -79.5 73.7 7.7 73.6 26.3 85 103 E I - 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