==== 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 1O2V . 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) . 9121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 16 7.2 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 0.000 360.0 360.0 360.0 131.4 52.7 -3.6 25.4 2 17 A V B +A 171 0A 10 169,-3.0 169,-2.1 1,-0.2 123,-0.1 -0.918 360.0 7.2-110.9 132.2 52.7 -7.2 24.3 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.721 102.6 119.8 70.7 25.3 54.8 -8.3 21.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.164 55.7-118.4-103.2-161.5 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 87 132,-2.6 132,-2.9 -3,-0.1 2,-0.5 -0.900 34.1 -83.2-138.4 166.1 60.2 -3.9 21.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.601 36.4-149.7 -72.3 120.3 62.3 -1.6 23.5 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.882 35.5-115.0 -58.6 -44.7 61.9 1.8 22.1 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.1 4,-0.2 0.037 49.0 -56.1 112.2 140.0 65.4 3.1 23.1 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.188 116.8 -10.6 -54.4 133.8 65.8 5.9 25.6 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.631 90.2 125.1 49.8 29.2 64.1 9.1 24.9 11 26 A T S < S+ 0 0 81 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.495 76.4 49.1 -88.0 -4.4 63.1 8.2 21.3 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.6 87,-0.1 -1,-0.2 -0.681 72.9 173.4-129.5 73.3 59.4 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 0.594 71.4 56.4 -68.1 -12.7 59.8 12.4 23.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.476 81.0 107.6 -95.4 -6.1 56.1 13.1 24.2 15 30 A Q E < -J 28 0C 8 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.536 49.1-175.5 -72.7 131.2 55.4 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.871 20.1-135.6-126.3 163.6 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.976 13.9-142.2-117.7 130.8 54.2 8.3 32.9 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.5 -2,-0.4 7,-1.0 -0.839 28.6-168.2 -97.0 125.6 51.3 9.2 35.4 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.0 -2,-0.6 4,-0.2 -0.961 35.0 165.3-124.9 132.9 52.6 8.3 38.8 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.326 97.2 -47.5-132.8 45.6 51.0 8.0 42.3 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.437 139.8 30.5 101.7 -0.8 53.8 6.1 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.901 102.3 -83.2-175.1 160.8 54.0 3.7 41.0 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.642 50.5 159.6 -76.9 126.4 53.3 4.0 37.3 24 41 A F E + 0 0 31 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.623 59.7 1.9-123.2 -22.5 49.6 3.6 36.7 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.970 61.1-125.2-158.1 167.2 48.9 5.1 33.2 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.433 25.2 176.9-107.0 179.5 50.6 6.9 30.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.955 24.6-114.1-169.6 177.0 49.9 10.2 28.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.5 -2,-0.3 2,-0.5 -0.993 18.8-130.2-132.5 138.3 51.1 12.5 25.9 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.2 -2,-0.4 6,-0.2 -0.742 27.2 173.2 -84.3 123.0 52.6 16.0 26.2 30 47 A I E S- 0 0 18 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.594 70.3 -8.8-109.3 -13.4 50.8 18.3 23.7 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.904 92.8 -78.5-164.1 175.5 52.4 21.7 24.8 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.618 126.8 32.0 -66.2 -9.5 54.7 22.6 27.8 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.444 109.6 67.1-124.5 -0.5 51.9 22.7 30.4 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.2 -0.980 48.2-173.4-134.5 145.0 49.3 20.1 29.2 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.7 -2,-0.4 2,-0.4 -0.932 14.7-145.9-125.6 144.8 49.1 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.2 -0.921 33.2 146.1-113.4 136.2 46.3 14.3 27.3 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.3 -0.738 50.6 -66.3-147.9-164.7 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 4,-0.3 -0.754 32.1-129.9-100.4 143.2 42.4 8.7 29.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.858 106.8 62.2 -57.5 -38.0 39.4 9.6 31.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.475 94.5 62.7 -71.0 0.7 39.5 6.2 33.1 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.486 78.1 127.3 -97.9 -7.9 43.0 6.9 34.4 42 59 A Y < + 0 0 125 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.0 -0.140 22.1 133.1 -51.6 139.8 41.8 9.9 36.5 43 60 A K - 0 0 55 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.935 52.4-100.3-171.9 169.4 42.7 9.9 40.3 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.574 95.6 47.3-100.0 167.9 44.0 12.6 42.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.929 73.7 166.9 70.9 44.5 47.6 12.9 43.7 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.782 20.8-168.8 -96.6 134.0 49.0 12.5 40.1 47 64 A Q E -KN 19 66C 50 -28,-2.0 -28,-2.7 -2,-0.4 2,-0.5 -0.982 17.8-141.4-117.0 128.8 52.7 13.4 39.5 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.7 -2,-0.5 2,-0.6 -0.809 11.7-155.5 -95.5 133.3 53.5 13.5 35.8 49 65AA R E -KN 17 64C 49 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.941 13.8-177.0-118.2 112.8 56.9 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 -0.610 60.5 30.2-102.3 161.8 58.5 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 0.696 84.6 152.0 58.2 30.9 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 -0.560 23.3 151.6 -92.1 152.5 61.6 8.8 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 82,-0.2 0.269 82.1 32.1-135.7 -79.8 62.9 5.6 29.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.751 73.9-161.8 -82.5 111.2 63.6 3.2 32.9 55 73 A I T 3 S+ 0 0 27 78,-2.6 -1,-0.1 -2,-0.8 79,-0.1 0.533 85.7 53.3 -74.9 -3.0 60.8 4.3 35.4 56 74 A N T 3 S+ 0 0 115 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.423 105.9 56.1-108.9 -0.9 62.5 2.7 38.4 57 75 A V S < S- 0 0 73 -3,-1.1 2,-1.0 76,-0.2 -4,-0.3 -1.000 76.4-133.1-132.2 132.2 65.9 4.5 38.0 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.758 37.0 165.2 -84.5 107.5 66.6 8.2 37.8 59 77 A E - 0 0 104 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.545 54.8 -91.2 -99.4 -14.4 68.9 8.1 34.7 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.145 102.9 69.6 111.0 153.1 68.8 11.9 34.0 61 79 A N + 0 0 69 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.188 69.1 131.7 90.7 -8.4 66.4 13.8 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.454 36.2-171.6 -76.2 145.0 63.5 13.2 34.0 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-2.8 -2,-0.2 2,-0.6 -0.985 6.9-161.7-136.4 120.4 61.2 16.1 35.1 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.958 18.3 170.8-108.5 118.6 58.7 15.3 37.8 65 83 A I E -N 48 0C 21 -17,-2.7 -17,-3.3 -2,-0.6 2,-0.1 -0.996 29.8-124.3-133.7 135.1 55.9 17.8 37.9 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.403 29.4-111.9 -74.8 153.0 52.6 17.6 39.9 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.691 20.7-162.9 -82.3 135.7 49.3 18.0 38.0 68 86 A S E S- 0 0 78 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.861 74.9 -9.4 -88.2 -41.5 47.5 21.3 38.9 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.986 56.6-147.7-152.9 154.0 44.2 20.0 37.6 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.982 13.7-159.8-123.3 132.6 42.8 17.0 35.6 71 89 A I E -O 87 0C 31 16,-3.4 16,-2.1 -2,-0.4 2,-0.3 -0.932 4.7-161.2-121.8 103.7 39.8 17.7 33.3 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.649 39.4 -92.8 -82.3 140.2 37.8 14.6 32.4 73 91 A H > - 0 0 24 12,-2.1 3,-2.1 10,-0.3 -1,-0.1 -0.304 34.4-129.7 -54.4 130.5 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.778 107.2 48.4 -56.4 -29.3 32.1 16.0 30.7 75 93 A S T 3 S+ 0 0 74 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.157 77.7 139.1 -98.8 16.6 30.4 13.3 28.7 76 94 A Y < - 0 0 56 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.461 37.9-159.3 -63.5 135.3 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 65 5,-1.8 4,-2.4 -2,-0.1 5,-0.6 -0.968 7.0-161.8-118.3 109.9 30.7 7.3 30.3 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.638 88.1 56.3 -70.0 -10.2 32.6 4.9 32.5 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.882 123.3 20.6 -89.2 -39.0 30.5 2.0 31.5 80 98 A T T 45S- 0 0 68 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.609 94.6-132.8-101.5 -11.1 31.0 2.3 27.7 81 99 A L T ><5 + 0 0 30 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.699 49.0 159.8 63.9 26.4 34.3 4.2 27.9 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.583 66.3 18.2 -74.3 142.5 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.913 79.7 174.1 61.0 46.3 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 -0.525 32.2 116.0 -84.5 76.8 37.6 8.4 27.3 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.994 36.7 179.7-145.2 147.1 39.9 11.5 27.2 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.8 -2,-0.3 2,-0.4 -0.987 16.2-146.7-147.4 147.0 41.3 13.7 29.9 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.4 -2,-0.3 2,-0.4 -0.917 11.1-161.7-116.3 142.6 43.5 16.7 30.0 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.2 -2,-0.4 2,-0.4 -0.991 7.3-150.4-124.0 131.3 46.0 17.4 32.8 89 107 A K E -MO 34 69C 48 -20,-2.9 -21,-3.2 -2,-0.4 -20,-1.2 -0.863 20.9-128.9-101.5 138.3 47.4 20.8 33.4 90 108 A L E - 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