==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O3K . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 1.3 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 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 . 3 2 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.5 52.7 -3.6 25.5 2 17 A V B +A 171 0A 11 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.896 360.0 7.2-108.1 133.5 52.7 -7.3 24.5 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.683 102.2 120.9 70.8 20.2 54.9 -8.4 21.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.129 55.9-118.8 -99.4-162.8 56.5 -5.0 21.2 5 20 A Y E -B 137 0B 90 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.875 34.6 -83.3-135.3 168.5 60.2 -4.0 21.4 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.592 36.6-148.5 -72.9 123.4 62.4 -1.7 23.6 7 22 A a - 0 0 18 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.927 35.5-113.5 -61.6 -45.8 61.9 1.8 22.2 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.011 49.5 -58.0 116.4 138.5 65.4 3.1 23.1 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.192 118.1 -9.6 -52.9 128.9 65.9 5.9 25.7 10 25 A N T 3 S+ 0 0 38 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.665 90.1 126.3 55.6 26.5 64.1 9.1 24.9 11 26 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.568 76.7 48.7 -85.5 -7.0 63.1 8.0 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.700 73.6 173.9-127.9 74.4 59.4 8.9 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.651 72.2 56.8 -65.8 -16.4 59.9 12.3 23.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.471 81.4 109.3 -93.6 -3.5 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.553 47.0-176.4 -75.0 131.4 55.5 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.878 20.4-138.3-125.3 161.7 54.8 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.6 -2,-0.3 2,-0.6 -0.965 14.7-141.8-116.4 132.2 54.1 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.2 -2,-0.4 7,-1.0 -0.874 29.2-169.0 -97.6 127.3 51.3 9.3 35.3 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.959 35.2 167.4-125.4 138.4 52.6 8.4 38.8 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.369 97.1 -47.7-137.4 47.1 51.0 8.2 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.433 139.9 32.4 98.5 -1.5 53.9 6.3 44.1 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.923 101.4 -86.1-172.3 161.4 54.0 3.8 41.1 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.672 49.7 159.5 -79.4 128.1 53.3 4.1 37.3 24 41 A F E + 0 0 30 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.577 60.6 3.5-125.9 -21.1 49.5 3.6 36.6 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.983 61.2-127.1-158.2 165.4 48.9 5.2 33.1 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.420 24.7 179.3-105.8-177.1 50.6 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.1 2,-0.4 -0.968 24.5-114.5-171.2 173.4 49.9 10.2 28.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.988 19.6-131.3-127.2 134.2 51.1 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.1 -2,-0.4 6,-0.2 -0.716 27.5 173.9 -81.1 121.4 52.6 16.0 26.1 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.594 69.4 -8.3-107.2 -12.6 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.931 92.5 -78.3-163.3 176.5 52.4 21.7 24.7 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.646 126.6 30.0 -67.4 -10.4 54.7 22.7 27.7 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.407 110.1 69.1-125.1 3.3 51.9 22.8 30.3 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.1 -0.975 48.0-173.7-132.5 142.0 49.3 20.2 29.1 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.7 -2,-0.4 2,-0.4 -0.926 15.4-145.7-123.3 145.8 49.1 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.937 34.0 147.3-113.4 136.1 46.3 14.4 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.4 -0.718 49.8 -68.1-146.0-163.4 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.780 31.5-130.1-102.5 143.1 42.4 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.830 107.3 62.4 -59.5 -32.8 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.566 93.1 64.3 -74.2 -2.4 39.6 6.3 33.2 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.408 78.3 128.2 -94.8 0.0 43.1 7.1 34.4 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.256 20.5 131.7 -59.4 138.7 41.7 9.9 36.5 43 60 A K - 0 0 57 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.937 54.3-102.3-171.1 166.7 42.6 10.0 40.3 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.622 96.3 49.8 -98.7 165.0 43.9 12.8 42.5 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.882 72.5 166.4 80.3 38.5 47.6 13.0 43.5 46 63 A I - 0 0 11 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.731 20.2-170.3 -93.8 134.7 49.0 12.7 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.1 -28,-2.7 -2,-0.4 2,-0.5 -0.979 18.4-141.4-116.6 130.1 52.6 13.6 39.4 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.823 12.2-157.0 -95.9 130.1 53.5 13.7 35.6 49 65AA R E -KN 17 64C 49 -32,-2.6 -32,-2.1 -2,-0.5 3,-0.3 -0.947 12.8-175.6-116.2 114.8 56.9 12.2 34.9 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.652 60.3 30.1-104.2 159.7 58.5 13.4 31.6 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.719 83.6 151.9 63.3 28.0 61.8 12.3 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.531 23.1 152.4 -90.3 153.3 61.6 8.8 31.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.200 83.1 32.7-137.1 -82.5 63.0 5.6 29.9 54 72 A N S > S- 0 0 23 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.688 73.5-163.3 -77.9 112.0 63.6 3.3 33.0 55 73 A I T 3 S+ 0 0 26 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.543 86.5 53.0 -75.5 -3.7 60.7 4.4 35.4 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.448 106.3 56.1-107.7 -3.5 62.5 2.8 38.4 57 75 A V S < S- 0 0 72 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.997 75.6-134.4-128.7 133.2 65.9 4.6 38.0 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.760 37.4 164.0 -85.2 109.6 66.6 8.4 37.8 59 77 A E - 0 0 104 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.521 55.0 -89.2-105.0 -11.1 69.0 8.3 34.8 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.147 103.7 67.6 110.2 153.7 68.9 12.0 33.9 61 79 A N + 0 0 68 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.162 69.8 131.6 87.2 -11.1 66.4 13.9 31.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.411 36.3-171.7 -72.1 147.7 63.5 13.3 33.9 63 81 A Q E -N 50 0C 36 -13,-1.8 -13,-3.0 -3,-0.1 2,-0.6 -0.983 6.3-162.3-137.2 122.0 61.2 16.2 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 17.5 171.6-109.3 117.0 58.6 15.4 37.7 65 83 A I E -N 48 0C 21 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.990 29.9-124.4-130.3 134.6 55.8 18.0 37.7 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.432 30.0-110.7 -74.9 153.2 52.6 17.8 39.8 67 85 A A E -O 90 0C 21 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.654 21.3-162.3 -79.6 138.6 49.3 18.1 37.9 68 86 A S E S- 0 0 78 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.842 74.6 -12.7 -91.2 -42.0 47.6 21.4 38.8 69 87 A K E -O 89 0C 88 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.986 57.3-146.7-154.7 154.5 44.1 20.1 37.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.986 13.0-158.0-123.4 133.4 42.8 17.1 35.5 71 89 A I E -O 87 0C 33 16,-3.1 16,-2.0 -2,-0.4 2,-0.3 -0.915 4.3-160.5-118.4 102.2 39.7 17.7 33.2 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.597 40.4 -93.4 -78.7 141.3 37.8 14.6 32.4 73 91 A H > - 0 0 23 12,-2.0 3,-1.8 10,-0.3 -1,-0.1 -0.320 34.3-128.8 -54.5 133.2 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.805 107.3 48.4 -58.3 -30.5 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 78 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.122 77.7 139.3 -98.2 20.4 30.3 13.3 28.6 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.483 38.3-158.6 -65.1 132.7 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 64 5,-1.9 4,-2.4 -2,-0.2 5,-0.5 -0.953 6.5-161.8-114.1 109.9 30.7 7.3 30.3 78 96 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.651 88.3 55.2 -70.5 -10.4 32.6 4.9 32.6 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.868 123.8 21.2 -89.3 -38.6 30.4 2.0 31.5 80 98 A T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.629 94.6-133.3-100.5 -15.2 31.0 2.3 27.7 81 99 A L T ><5 + 0 0 31 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.685 48.6 159.3 66.8 25.6 34.2 4.3 27.9 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-1.9 1,-0.2 -1,-0.3 -0.571 66.6 18.8 -74.3 143.1 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 -2,-0.2 -10,-0.3 0.908 80.3 173.8 61.8 46.1 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.494 32.9 113.8 -83.8 75.8 37.6 8.4 27.3 85 103 A I - 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