==== 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 1O3H . 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) . 9163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 17 7.6 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 . 16 7.2 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 0 1 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 0.000 360.0 360.0 360.0 127.7 52.8 -3.5 25.3 2 17 A V B +A 171 0A 10 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.904 360.0 9.1-108.5 134.7 52.8 -7.2 24.2 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.679 102.2 122.9 71.2 20.1 54.9 -8.3 21.2 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.151 54.9-121.8 -98.8-165.7 56.6 -4.9 21.1 5 20 A Y E -B 137 0B 91 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.883 34.6 -83.2-135.1 167.5 60.3 -3.9 21.3 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.579 35.8-148.6 -71.7 125.2 62.4 -1.6 23.4 7 22 A a - 0 0 17 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.904 35.7-114.3 -64.7 -41.5 62.0 1.9 22.1 8 23 A G > - 0 0 29 127,-0.5 3,-1.7 -3,-0.0 4,-0.3 0.045 50.3 -56.8 113.3 137.6 65.5 3.1 23.0 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.196 118.2 -9.9 -53.3 128.5 66.0 5.9 25.7 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.667 89.6 126.8 56.9 26.8 64.1 9.1 24.9 11 26 A T S < S+ 0 0 81 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.581 76.5 48.8 -84.8 -8.2 63.2 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.719 73.4 173.5-126.7 76.3 59.5 8.9 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.611 72.0 57.1 -67.9 -13.6 60.0 12.4 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.496 81.4 108.8 -95.1 -5.4 56.2 13.2 24.2 15 30 A Q E < -J 28 0C 6 -3,-1.5 36,-0.4 13,-0.2 37,-0.4 -0.523 47.5-175.6 -72.4 130.6 55.5 10.1 26.3 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.862 19.7-139.4-123.8 162.1 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.967 15.5-141.4-116.0 133.7 54.2 8.3 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.878 28.3-166.7 -99.7 128.3 51.4 9.2 35.4 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.1 -2,-0.6 4,-0.2 -0.966 35.4 166.7-124.5 134.9 52.7 8.3 38.8 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.392 96.5 -49.3-133.0 47.2 51.1 7.9 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.420 139.5 32.8 97.7 -2.8 54.0 6.0 44.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.938 101.9 -86.2-170.4 163.0 54.0 3.6 41.0 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.703 49.5 159.8 -81.6 126.1 53.3 3.9 37.2 24 41 A F E + 0 0 30 -6,-2.1 151,-0.3 -2,-0.4 2,-0.3 0.608 59.8 2.5-122.5 -23.2 49.6 3.5 36.6 25 42 A b E -J 18 0C 9 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.981 61.3-125.1-156.3 168.2 49.0 5.1 33.1 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.420 24.8 179.2-106.3-176.4 50.7 6.8 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.969 23.6-115.5-172.6 172.8 50.0 10.2 28.6 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.4 -2,-0.3 2,-0.5 -0.986 19.4-130.1-127.8 135.4 51.2 12.5 25.9 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.1 -2,-0.4 6,-0.2 -0.702 28.3 172.2 -81.3 120.9 52.7 16.0 26.2 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.605 69.7 -8.5-108.0 -12.8 50.9 18.4 23.8 31 48 A N E > S- L 0 34C 47 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.932 91.3 -78.9-163.3 177.2 52.4 21.7 24.9 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.665 126.9 29.9 -67.3 -12.5 54.7 22.7 27.9 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.382 110.9 68.8-124.6 6.1 52.0 22.8 30.5 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.988 47.7-174.1-136.0 141.7 49.4 20.2 29.3 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.4 -0.911 15.8-145.3-121.8 146.8 49.2 16.4 28.9 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.2 -0.938 34.1 147.0-113.4 136.1 46.4 14.4 27.3 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.724 49.8 -68.0-146.5-162.7 45.6 10.9 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.778 31.0-130.2-102.7 144.9 42.5 8.8 29.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.834 106.9 62.5 -60.4 -34.4 39.6 9.7 31.6 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.566 93.5 63.3 -73.2 -2.5 39.7 6.2 33.1 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.457 79.0 128.8 -94.4 -3.6 43.2 6.9 34.4 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.196 20.2 130.7 -56.1 140.1 41.8 9.8 36.6 43 60 A K - 0 0 57 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.931 54.1-101.0-172.9 168.1 42.7 9.9 40.3 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.604 95.9 49.0-100.0 166.9 44.0 12.6 42.6 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.930 72.4 165.8 76.4 43.9 47.7 12.8 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.790 20.7-168.9 -98.1 134.3 49.1 12.5 40.1 47 64 A Q E -KN 19 66C 52 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.5 -0.977 18.2-140.9-116.1 130.7 52.8 13.4 39.5 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.6 -2,-0.5 2,-0.6 -0.820 12.5-157.4 -95.2 128.6 53.6 13.6 35.8 49 65AA R E -KN 17 64C 49 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.941 12.6-175.6-115.9 114.0 57.1 12.1 34.9 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.630 60.6 30.3-101.9 158.3 58.6 13.4 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.721 83.9 152.9 63.8 26.9 61.9 12.2 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.520 23.0 151.9 -89.1 153.0 61.7 8.8 31.3 53 71 A D S S+ 0 0 16 1,-0.5 2,-0.7 4,-0.3 -1,-0.2 0.228 82.5 31.7-138.2 -81.4 63.1 5.5 29.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.9 1,-0.2 -1,-0.5 -0.730 74.2-162.4 -79.9 116.8 63.7 3.2 32.9 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.570 86.5 53.1 -78.9 -6.1 60.8 4.3 35.4 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.447 106.3 56.2-105.0 -2.8 62.5 2.7 38.4 57 75 A V S < S- 0 0 71 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.996 75.5-135.1-127.8 132.9 66.0 4.4 37.9 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.780 36.7 164.9 -85.3 114.4 66.7 8.3 37.8 59 77 A E - 0 0 105 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.480 55.0 -88.0-108.2 -9.7 69.1 8.2 34.7 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.164 104.4 67.4 110.7 151.8 69.0 11.9 33.9 61 79 A N + 0 0 68 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.159 69.6 131.0 88.2 -12.6 66.5 13.8 31.7 62 80 A E - 0 0 31 -13,-0.1 2,-0.4 -11,-0.0 -1,-0.3 -0.411 36.4-171.8 -72.4 147.5 63.6 13.2 34.0 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-2.8 -3,-0.1 2,-0.6 -0.986 7.1-161.6-136.5 122.6 61.3 16.1 35.0 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 18.2 171.8-108.8 116.1 58.8 15.2 37.8 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-3.1 -2,-0.6 2,-0.1 -0.989 29.7-123.8-129.9 137.0 56.0 17.8 37.9 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.458 29.8-111.1 -77.3 150.1 52.7 17.6 39.9 67 85 A A E -O 90 0C 21 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.626 21.2-162.7 -76.8 137.8 49.4 17.9 38.1 68 86 A S E S- 0 0 76 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.864 74.1 -12.6 -90.4 -45.2 47.6 21.2 38.9 69 87 A K E -O 89 0C 86 20,-1.0 20,-2.8 2,-0.0 2,-0.4 -0.986 56.8-146.6-151.4 156.1 44.2 20.0 37.7 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.985 13.0-158.1-122.9 134.2 42.8 17.0 35.6 71 89 A I E -O 87 0C 31 16,-3.1 16,-2.0 -2,-0.4 2,-0.2 -0.926 5.4-160.8-118.5 103.1 39.8 17.7 33.4 72 90 A V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.621 40.3 -93.0 -80.2 143.3 37.9 14.5 32.5 73 91 A H > - 0 0 22 12,-1.9 3,-1.8 10,-0.3 -1,-0.1 -0.360 33.8-128.6 -56.0 133.3 35.6 15.0 29.4 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.791 107.4 47.8 -56.6 -31.4 32.1 16.1 30.8 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.109 77.6 138.7 -99.1 21.3 30.4 13.3 28.7 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.494 38.3-158.9 -65.6 134.9 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 64 5,-2.0 4,-2.6 -2,-0.2 5,-0.6 -0.959 6.7-161.5-116.5 110.8 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.700 88.3 55.8 -69.4 -15.3 32.7 4.8 32.6 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.854 123.9 21.0 -86.0 -33.8 30.5 2.0 31.5 80 98 A T T 45S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.656 94.4-133.4-103.9 -18.4 31.0 2.3 27.7 81 99 A L T ><5 + 0 0 31 -4,-2.6 3,-0.8 1,-0.3 2,-0.3 0.686 48.5 159.2 69.9 27.0 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.628 66.2 19.3 -77.6 141.2 32.9 6.6 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.891 80.0 174.0 64.9 47.0 34.7 10.0 25.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.464 33.1 113.5 -82.9 74.6 37.7 8.4 27.3 85 103 A I - 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