==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-99 1C5U . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI,P.A.SPRENGELE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9299.0 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 . 70 31.4 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 . 1 0.4 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 . 14 6.3 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 . 14 6.3 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 1 3 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 0.000 360.0 360.0 360.0 128.1 51.9 14.4 49.1 2 17 A V B +A 171 0A 6 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.933 360.0 7.9-111.1 130.3 54.2 14.3 52.2 3 18 A G S S+ 0 0 50 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.729 103.2 119.2 72.6 28.1 55.9 11.0 53.2 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.174 56.3-117.0-106.4-162.7 54.7 9.2 50.1 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.8 -2,-0.1 2,-0.5 -0.901 33.2 -85.4-137.4 167.6 56.5 7.6 47.2 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.621 36.8-151.1 -75.1 121.2 56.8 7.9 43.5 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.5 2,-0.1 0.928 35.3-114.2 -58.2 -51.4 53.9 6.0 42.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.131 47.6 -55.1 119.0 144.8 55.5 5.0 38.8 9 24 A A T 3 S- 0 0 51 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.289 118.4 -11.8 -58.0 127.3 54.4 6.3 35.4 10 25 A N T 3 S+ 0 0 23 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.726 89.7 127.0 52.3 36.9 50.8 5.7 34.6 11 26 A T S < S+ 0 0 81 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.553 78.7 47.8 -90.2 -11.4 50.2 3.3 37.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.684 74.8 172.5-123.9 70.9 47.2 5.6 38.6 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.634 71.6 57.3 -66.3 -13.9 45.6 5.8 35.1 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.477 81.3 110.9 -93.4 -5.3 42.4 7.7 36.3 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.4 13,-0.2 37,-0.3 -0.539 48.6-170.5 -73.8 135.4 44.5 10.6 37.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.2 2,-0.4 -0.871 18.0-144.5-125.3 156.5 44.1 13.9 36.0 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.5 -0.978 15.6-145.0-117.9 132.1 46.0 17.3 36.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-0.9 -0.856 23.5-168.5 -99.9 129.9 43.8 20.5 35.8 19 34 A N E +JK 23 47C 21 28,-3.0 28,-2.0 -2,-0.5 4,-0.2 -0.972 31.7 171.4-125.9 134.5 45.9 23.1 34.1 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.322 97.4 -46.2-132.1 46.0 45.3 26.8 33.5 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.208 141.2 29.7 107.1 -11.4 48.8 27.5 32.2 22 39 A Y S S- 0 0 136 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.924 102.3 -84.2-166.1 160.4 50.3 25.5 35.2 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.567 50.5 158.7 -75.3 132.9 49.0 22.5 37.2 24 41 A F E + 0 0 31 -6,-2.2 2,-0.3 1,-0.5 151,-0.2 0.495 59.6 6.1-134.7 -11.1 46.8 23.8 40.1 25 42 A b E -J 18 0C 6 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.5 -0.975 60.8-127.1-166.5 162.2 44.6 20.7 41.1 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.443 26.0 175.7-105.7-180.0 44.1 17.1 40.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.947 25.9-110.9-170.3 177.3 40.9 15.2 39.6 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.984 20.2-129.5-128.1 139.2 39.7 11.7 38.6 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.766 25.8 176.3 -86.8 121.4 38.4 10.5 35.3 30 47 A I E - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.630 68.7 -16.2-101.8 -16.6 35.0 8.7 35.8 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.8 70,-0.1 -1,-0.4 -0.924 89.0 -75.2-169.7 173.5 34.2 8.0 32.2 32 49 A S T 3 S+ 0 0 40 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.673 128.1 33.2 -58.1 -20.8 35.5 9.2 28.8 33 50 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.523 110.6 66.6-112.4 -7.2 33.7 12.6 28.9 34 51 A W E < -LM 31 89C 3 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.950 46.4-175.0-129.5 145.2 33.7 13.5 32.7 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.945 13.8-150.1-126.5 143.2 36.1 14.3 35.5 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.947 30.2 149.3-116.4 137.5 35.3 14.9 39.2 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.0 -2,-0.4 2,-0.4 -0.723 50.8 -66.6-144.7-165.2 37.4 17.3 41.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.754 33.3-132.3 -97.2 142.3 36.9 19.6 44.2 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.828 106.5 64.1 -61.3 -31.5 34.7 22.7 43.9 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.606 93.7 63.9 -71.4 -5.5 37.3 24.9 45.5 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.359 76.0 135.6 -93.6 1.9 39.5 24.1 42.4 42 59 A Y < + 0 0 125 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.292 20.7 151.2 -58.1 134.0 36.9 25.9 40.2 43 60 A K - 0 0 56 -2,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.933 46.6-115.6-153.8 159.5 38.5 28.2 37.6 44 61 A S S S+ 0 0 106 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.792 96.4 38.9 -98.9 143.0 37.3 29.4 34.2 45 62 A G S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.924 74.6 169.8 82.4 49.4 39.7 28.1 31.4 46 63 A I - 0 0 12 -3,-0.2 21,-2.1 21,-0.1 2,-0.4 -0.744 20.2-166.8 -97.8 141.6 40.6 24.6 32.5 47 64 A Q E -KN 19 66C 49 -28,-2.0 -28,-3.0 -2,-0.4 2,-0.5 -0.975 18.1-141.9-122.6 135.3 42.5 22.2 30.3 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.4 2,-0.6 -0.858 10.3-156.2-102.0 131.7 42.5 18.6 31.6 49 66 A R E -KN 17 64C 51 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.962 13.0-175.6-117.5 118.6 45.7 16.6 31.2 50 67 A L E + N 0 63C 3 13,-3.1 13,-1.6 -2,-0.6 -34,-0.1 -0.648 60.6 31.5-106.1 161.4 45.3 12.9 31.1 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.703 83.4 152.7 62.1 26.8 48.1 10.2 31.0 52 70 A E + 0 0 12 -37,-0.3 -42,-0.4 -3,-0.3 -1,-0.2 -0.517 23.3 152.8 -88.0 150.4 50.6 12.3 32.8 53 71 A D S S+ 0 0 15 1,-0.5 2,-0.6 4,-0.3 -1,-0.2 0.291 81.8 30.1-134.0 -79.9 53.5 11.3 35.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.733 73.7-159.1 -81.6 120.1 56.0 14.1 34.8 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.6 79,-0.1 0.531 88.3 52.5 -80.4 -1.9 53.8 17.3 34.3 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.370 104.9 59.1-110.1 0.9 56.7 19.3 32.9 57 75 A V S < S- 0 0 70 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.998 75.8-134.9-130.5 129.4 57.8 16.7 30.2 58 76 A V + 0 0 110 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.726 30.0 176.2 -82.4 109.6 55.6 15.4 27.3 59 77 A E - 0 0 98 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.489 51.9 -98.6 -95.6 -2.1 56.5 11.7 27.6 60 78 A G S S+ 0 0 62 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.109 105.6 81.3 109.2 -21.5 54.2 10.4 25.0 61 79 A N + 0 0 56 -10,-0.2 2,-0.1 38,-0.0 -9,-0.1 0.349 65.7 113.9-102.7 10.4 51.1 9.2 26.9 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.449 42.6-167.9 -85.4 156.6 49.3 12.5 27.5 63 81 A Q E -N 50 0C 36 -13,-1.6 -13,-3.1 -2,-0.1 2,-0.6 -0.985 9.1-162.7-137.0 122.9 46.0 13.7 26.2 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.967 17.9 170.7-112.1 116.5 45.3 17.4 26.8 65 83 A I E -N 48 0C 21 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.992 28.3-128.2-129.9 135.4 41.5 18.2 26.4 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.455 27.9-111.9 -80.4 157.8 39.8 21.5 27.2 67 85 A A E -O 90 0C 27 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.648 19.9-166.0 -86.3 144.8 36.7 21.5 29.4 68 86 A S E S+ 0 0 68 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.701 74.6 2.2 -99.9 -29.4 33.4 22.4 27.8 69 87 A K E -O 89 0C 86 20,-1.0 20,-2.8 2,-0.0 -1,-0.4 -0.978 57.0-155.3-158.1 150.8 31.5 23.0 31.1 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.971 8.4-165.1-127.6 138.7 32.1 22.9 34.9 71 89 A I E -O 87 0C 35 16,-2.9 16,-2.4 -2,-0.4 2,-0.3 -0.941 4.6-159.7-131.3 109.5 29.4 22.2 37.4 72 90 A V E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.652 43.3 -87.5 -84.6 142.7 30.1 23.1 41.1 73 91 A H > - 0 0 22 12,-2.1 3,-1.8 -2,-0.3 -1,-0.1 -0.202 34.9-121.8 -50.5 138.5 27.7 21.2 43.5 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 111.2 40.9 -53.3 -31.6 24.4 23.2 44.1 75 93 A S T 3 S+ 0 0 70 8,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.175 78.0 141.5-106.8 19.7 25.2 23.3 47.9 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.393 32.5-163.3 -63.7 136.0 28.9 24.0 47.9 77 95 A N B >> -P 82 0D 64 5,-1.9 4,-2.4 1,-0.1 5,-0.6 -0.962 7.0-163.5-121.1 107.2 29.8 26.4 50.8 78 96 A S T 45S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.716 86.9 59.1 -68.4 -17.5 33.3 27.9 50.3 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.916 123.4 18.5 -78.5 -40.8 33.5 29.1 53.8 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.580 96.3-130.3-102.2 -15.2 33.1 25.6 55.4 81 99 A L T ><5 + 0 0 32 -4,-2.4 3,-0.7 1,-0.3 2,-0.2 0.647 49.4 159.4 71.2 23.6 34.1 23.6 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.564 65.9 16.4 -75.0 139.9 31.0 21.5 52.8 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.905 80.2 177.5 63.2 48.2 30.0 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.531 34.2 110.2 -85.5 77.5 33.4 20.3 48.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.987 37.4 177.0-149.3 148.2 32.9 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.4 -2,-0.3 2,-0.4 -0.978 20.2-135.2-151.3 154.8 32.5 19.6 41.1 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.918 13.2-163.9-115.5 139.4 32.1 17.9 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.996 7.2-152.5-126.6 126.5 34.0 18.9 34.5 89 107 A K E -MO 34 69C 40 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.0 -0.814 18.8-129.1 -99.9 138.4 32.9 17.7 31.1 90 108 A L E - 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