==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-99 1C5T . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 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 . 13 5.8 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 0.000 360.0 360.0 360.0 126.4 51.9 14.4 49.4 2 17 A V B +A 171 0A 7 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.898 360.0 8.0-107.4 132.2 54.2 14.4 52.4 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.758 102.7 118.2 70.1 31.2 55.9 11.1 53.4 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.246 56.8-116.8-109.3-162.8 54.7 9.2 50.3 5 20 A Y E -B 137 0B 91 132,-2.4 132,-2.9 -2,-0.1 2,-0.5 -0.901 33.4 -85.3-137.1 166.9 56.5 7.6 47.4 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.603 37.6-150.1 -74.0 122.6 56.9 7.9 43.7 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 2,-0.1 0.921 35.2-111.3 -59.3 -51.7 53.9 6.1 42.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.154 48.2 -58.9 121.1 144.1 55.5 5.0 39.0 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.338 118.2 -10.4 -59.8 130.3 54.5 6.3 35.6 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.714 89.9 127.0 51.5 35.0 50.9 5.7 34.8 11 26 A T S < S+ 0 0 81 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.517 78.2 48.6 -90.7 -6.7 50.3 3.3 37.8 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.683 74.4 173.4-127.2 71.7 47.3 5.6 38.8 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.639 72.1 57.1 -65.3 -16.5 45.6 5.8 35.3 14 29 A Y T 3 S+ 0 0 25 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.435 80.6 113.5 -92.0 -4.1 42.5 7.7 36.5 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.546 48.3-167.7 -74.5 134.5 44.6 10.6 38.0 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.865 16.5-148.1-121.4 151.5 44.1 13.9 36.3 17 32 A S E -JK 26 49C 0 32,-1.9 32,-2.5 -2,-0.3 2,-0.5 -0.989 15.4-146.7-119.4 129.1 46.0 17.3 36.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.856 21.8-167.1 -98.8 129.2 43.9 20.4 36.0 19 34 A N E +JK 23 47C 22 28,-3.0 28,-2.0 -2,-0.5 4,-0.2 -0.971 31.3 170.0-124.4 130.5 46.0 23.1 34.2 20 37 A S S S- 0 0 33 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.335 97.5 -46.0-129.0 46.3 45.3 26.8 33.7 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.184 140.7 28.4 108.7 -14.2 48.8 27.6 32.4 22 39 A Y S S- 0 0 137 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.925 102.2 -82.5-164.7 161.6 50.3 25.5 35.3 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.568 51.5 157.0 -74.9 128.5 49.1 22.5 37.4 24 41 A F E + 0 0 31 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.532 59.4 10.5-130.7 -14.3 46.8 23.8 40.2 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.984 60.9-127.2-160.9 161.8 44.6 20.7 41.2 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.418 27.6 175.4-101.9 178.0 44.2 17.0 40.8 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.951 25.0-115.2-170.5 175.0 41.0 15.2 39.7 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.3 -2,-0.3 2,-0.6 -0.984 19.2-129.9-129.0 139.2 39.7 11.7 38.8 29 46 A L E + L 0 35C 1 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.788 24.9 176.7 -88.4 124.2 38.4 10.4 35.5 30 47 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.608 68.9 -16.2-103.2 -16.1 35.0 8.7 36.0 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.932 89.3 -74.4-169.9 174.1 34.2 7.9 32.3 32 49 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.685 128.1 33.0 -58.1 -21.2 35.5 9.1 28.9 33 50 A Q T 3 S+ 0 0 83 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.496 110.3 65.7-112.8 -5.4 33.7 12.5 29.1 34 51 A W E < -LM 31 89C 7 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.956 46.2-174.1-131.3 145.3 33.7 13.4 32.8 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.937 13.6-150.6-125.3 143.8 36.1 14.3 35.7 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.2 -0.949 30.5 148.2-116.7 137.1 35.3 14.8 39.4 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.749 50.6 -64.0-146.1-165.4 37.4 17.2 41.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.694 33.2-132.8 -93.8 143.7 37.0 19.6 44.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.840 106.6 64.8 -65.8 -30.0 34.7 22.7 44.2 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.622 93.4 64.3 -70.4 -5.5 37.4 24.9 45.7 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.362 75.7 135.6 -93.1 2.5 39.5 24.0 42.6 42 59 A Y < + 0 0 126 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.309 20.6 149.0 -58.3 134.3 36.9 25.9 40.4 43 60 A K - 0 0 56 -2,-0.0 2,-0.3 3,-0.0 3,-0.3 -0.935 46.2-116.6-157.2 159.3 38.4 28.2 37.7 44 61 A S S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.761 95.0 38.9 -99.7 146.8 37.3 29.3 34.3 45 62 A G S S+ 0 0 64 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.931 75.3 169.0 79.3 48.6 39.7 28.1 31.5 46 63 A I - 0 0 13 -3,-0.3 21,-2.1 21,-0.1 2,-0.4 -0.760 21.6-166.0 -99.4 139.8 40.7 24.7 32.6 47 64 A Q E -KN 19 66C 50 -28,-2.0 -28,-3.0 -2,-0.4 2,-0.4 -0.974 17.9-141.5-120.4 134.3 42.5 22.2 30.4 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.4 2,-0.6 -0.839 11.1-156.5 -99.8 133.2 42.5 18.6 31.8 49 66 A R E -KN 17 64C 51 -32,-2.5 -32,-1.9 -2,-0.4 3,-0.2 -0.976 12.4-173.8-119.5 118.3 45.7 16.6 31.3 50 67 A L E + N 0 63C 3 13,-2.9 13,-1.6 -2,-0.6 -34,-0.1 -0.644 60.7 29.8-105.2 159.4 45.4 12.8 31.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.2 -38,-0.3 2,-0.2 0.727 83.4 152.3 59.2 32.3 48.2 10.1 31.2 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.2 -1,-0.2 -0.564 23.6 153.3 -92.2 152.0 50.6 12.3 33.0 53 71 A D S S+ 0 0 15 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.276 81.8 31.1-135.3 -78.9 53.5 11.3 35.2 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.0 3,-0.2 -1,-0.5 -0.752 73.4-159.9 -83.3 117.7 56.1 14.2 35.0 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.523 87.6 53.2 -78.6 -1.4 53.9 17.3 34.4 56 74 A N T 3 S+ 0 0 121 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.360 104.7 58.8-110.0 0.7 56.8 19.3 33.0 57 75 A V S < S- 0 0 71 -3,-1.0 2,-1.0 76,-0.2 -4,-0.3 -0.997 75.5-135.1-132.1 129.4 57.8 16.8 30.3 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.729 29.7 175.9 -82.4 109.2 55.7 15.4 27.5 59 77 A E - 0 0 98 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.461 52.2 -98.4 -95.5 -2.1 56.6 11.7 27.8 60 78 A G S S+ 0 0 61 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.186 105.3 81.3 107.5 -17.6 54.3 10.5 25.1 61 79 A N + 0 0 56 -10,-0.2 2,-0.1 38,-0.0 -3,-0.0 0.309 65.8 113.2-106.4 12.0 51.2 9.2 27.0 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.482 42.9-168.3 -88.6 157.6 49.3 12.4 27.6 63 81 A Q E -N 50 0C 36 -13,-1.6 -13,-2.9 -2,-0.1 2,-0.6 -0.982 10.0-161.4-137.8 123.1 46.0 13.7 26.3 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 18.2 172.4-111.7 114.3 45.3 17.4 26.9 65 83 A I E -N 48 0C 21 -17,-2.9 -17,-3.3 -2,-0.6 2,-0.1 -0.989 27.4-127.4-130.0 134.0 41.6 18.2 26.5 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.8 -19,-0.2 26,-0.3 -0.415 27.3-112.9 -76.7 154.5 39.8 21.4 27.3 67 85 A A E -O 90 0C 28 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.644 19.3-166.1 -85.6 142.6 36.8 21.5 29.6 68 86 A S E S- 0 0 68 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.696 73.8 -1.8 -98.8 -27.6 33.4 22.4 27.9 69 87 A K E -O 89 0C 87 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.970 55.9-152.2-162.7 153.9 31.6 23.0 31.3 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.2-165.0-128.7 140.2 32.1 22.9 35.1 71 89 A I E -O 87 0C 35 16,-2.7 16,-2.3 -2,-0.3 2,-0.3 -0.944 5.2-160.1-132.6 108.3 29.4 22.2 37.6 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.641 43.3 -86.8 -85.0 143.7 30.1 23.1 41.3 73 91 A H > - 0 0 21 12,-2.1 3,-1.7 -2,-0.3 -1,-0.1 -0.195 34.8-122.4 -50.2 137.7 27.7 21.3 43.8 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.790 110.7 41.3 -52.2 -32.1 24.5 23.3 44.3 75 93 A S T 3 S+ 0 0 69 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.139 76.9 142.0-107.4 21.2 25.2 23.4 48.1 76 94 A Y < - 0 0 56 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.435 32.4-162.9 -65.0 133.8 29.0 24.0 48.2 77 95 A N B >> -P 82 0D 67 5,-2.0 4,-2.4 -2,-0.1 5,-0.6 -0.954 5.7-164.1-118.6 104.7 29.9 26.4 51.1 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.675 86.6 58.9 -67.5 -14.5 33.4 27.9 50.5 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.900 123.2 18.5 -82.4 -39.1 33.5 29.0 54.1 80 98 A T T 45S- 0 0 73 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.555 96.4-130.3-103.8 -13.2 33.1 25.6 55.7 81 99 A L T ><5 + 0 0 31 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.637 49.8 158.4 69.5 23.4 34.0 23.6 52.6 82 100 A N B 3 < +P 77 0D 33 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.570 65.7 17.2 -76.1 139.6 31.0 21.5 53.1 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.897 80.1 177.1 65.0 46.7 29.9 19.7 49.8 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.515 32.8 111.7 -83.7 76.8 33.4 20.3 48.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.990 37.2 179.0-148.7 147.2 32.9 18.5 44.9 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.984 18.3-139.0-148.3 151.7 32.6 19.6 41.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.4 -0.909 13.1-163.3-115.2 140.5 32.2 17.9 37.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.997 7.2-150.7-127.4 125.6 34.0 18.9 34.7 89 107 A K E -MO 34 69C 42 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.1 -0.798 17.4-130.5 -99.0 139.4 32.9 17.8 31.2 90 108 A L E - 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