==== 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 1C5S . 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) . 9233.0 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 . 72 32.3 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 . 4 1.8 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 . 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 . 4 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 0.000 360.0 360.0 360.0 130.3 51.9 14.5 49.2 2 17 A V B +A 171 0A 10 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.902 360.0 7.4-110.3 135.8 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 0.712 102.3 117.4 69.2 26.0 55.9 11.0 53.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.213 57.8-116.3-106.4-162.8 54.7 9.1 50.2 5 20 A Y E -B 137 0B 95 132,-2.3 132,-2.8 -2,-0.1 2,-0.4 -0.870 33.2 -86.2-134.5 168.8 56.5 7.5 47.3 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.658 37.3-150.3 -75.9 127.1 56.9 7.9 43.5 7 22 A a - 0 0 21 128,-1.8 2,-0.2 -2,-0.4 -1,-0.2 0.946 36.0-112.7 -62.7 -53.4 54.0 5.9 42.0 8 23 A G > - 0 0 25 127,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.300 49.7 -52.3 125.0 150.6 55.6 5.0 38.8 9 24 A A T 3 S- 0 0 52 1,-0.2 44,-0.1 -2,-0.2 43,-0.0 -0.327 118.1 -14.7 -60.5 129.1 54.6 6.2 35.4 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.768 89.1 127.8 48.1 42.4 50.9 5.8 34.7 11 26 A T S < S+ 0 0 82 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.558 77.2 51.0 -93.8 -12.6 50.2 3.3 37.5 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 1,-0.1 -1,-0.2 -0.670 74.5 172.2-120.0 72.3 47.3 5.6 38.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.4 0.643 71.4 57.4 -65.1 -17.7 45.7 5.8 35.1 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-1.9 -3,-0.1 2,-0.3 0.459 80.6 113.7 -90.9 -3.2 42.6 7.7 36.3 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.539 47.8-167.7 -76.0 135.1 44.7 10.6 37.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.3 -2,-0.3 2,-0.4 -0.865 16.7-148.5-121.1 151.0 44.2 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.987 15.5-147.9-120.0 129.0 46.2 17.3 36.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.871 22.2-171.2 -99.8 127.4 44.0 20.5 35.8 19 34 A N E +JK 23 47C 22 28,-3.0 28,-2.3 -2,-0.5 4,-0.2 -0.979 30.4 172.7-127.3 135.0 46.1 23.1 34.1 20 37 A S S S- 0 0 32 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.427 97.2 -43.9-131.7 51.0 45.4 26.8 33.4 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.278 141.7 26.8 103.8 -10.0 48.9 27.6 32.2 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.923 102.2 -82.0-169.6 161.0 50.4 25.6 35.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 51.2 156.7 -74.8 130.8 49.2 22.7 37.2 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.529 59.6 10.5-133.0 -12.2 46.9 23.9 40.0 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.978 60.3-127.9-162.4 162.3 44.7 20.8 41.0 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.469 27.1 176.4-105.1 174.8 44.3 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.4 -2,-0.2 2,-0.4 -0.954 25.3-115.6-167.0 176.1 41.2 15.2 39.4 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.5 -2,-0.3 2,-0.5 -0.988 19.7-131.6-129.2 137.5 39.8 11.7 38.6 29 46 A L E + L 0 35C 0 -15,-1.9 74,-2.0 -2,-0.4 6,-0.3 -0.767 24.1 178.0 -86.5 126.5 38.5 10.5 35.2 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.612 68.7 -14.9-105.4 -17.6 35.1 8.8 35.8 31 48 A N E > S- L 0 34C 49 3,-1.3 3,-0.8 70,-0.1 -1,-0.4 -0.937 90.1 -74.9-167.6 174.6 34.3 8.0 32.1 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.699 128.1 33.8 -56.6 -23.9 35.6 9.1 28.7 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.518 110.6 62.7-110.0 -8.1 33.8 12.5 28.9 34 51 A W E < -LM 31 89C 3 -3,-0.8 -4,-2.6 55,-0.2 -3,-1.3 -0.958 46.1-173.6-132.8 147.0 33.9 13.5 32.6 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.932 14.3-149.0-126.2 146.8 36.2 14.3 35.5 36 53 A V E +LM 28 87C 1 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.2 -0.942 30.3 150.0-117.8 139.7 35.4 14.9 39.1 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.3 -0.753 49.8 -63.8-147.4-165.6 37.5 17.3 41.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.670 33.2-132.8 -92.9 144.9 37.1 19.6 44.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.829 107.3 64.4 -66.5 -29.2 34.8 22.7 43.9 40 57 A H G 3 S+ 0 0 59 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.596 93.0 64.9 -71.8 -4.9 37.5 24.8 45.5 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.370 74.7 135.1 -92.7 -0.2 39.5 24.0 42.3 42 59 A Y < + 0 0 130 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.278 21.1 149.1 -56.9 131.7 36.9 25.9 40.2 43 60 A K - 0 0 53 -2,-0.0 2,-0.4 0, 0.0 3,-0.2 -0.936 46.2-117.5-154.1 160.6 38.6 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 -0.833 94.9 39.8-103.9 144.7 37.5 29.4 34.2 45 62 A G S S+ 0 0 63 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.940 76.5 171.7 83.8 52.4 39.8 28.2 31.4 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.801 20.9-166.7-102.8 139.2 40.7 24.7 32.4 47 64 A Q E -KN 19 66C 50 -28,-2.3 -28,-3.0 -2,-0.4 2,-0.4 -0.972 17.5-142.3-119.6 131.6 42.7 22.2 30.3 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.5 -0.818 11.0-158.6 -96.8 132.0 42.5 18.6 31.6 49 66 A R E -KN 17 64C 51 -32,-2.7 -32,-2.0 -2,-0.4 3,-0.3 -0.964 11.9-176.1-121.8 115.1 45.8 16.6 31.2 50 67 A L E + N 0 63C 3 13,-2.6 13,-1.6 -2,-0.5 -34,-0.1 -0.610 60.1 31.5-102.4 159.6 45.5 12.8 31.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.4 2,-0.2 0.758 83.0 152.6 58.2 34.8 48.3 10.1 31.1 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.572 23.9 152.3 -93.6 155.1 50.7 12.2 32.9 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.167 82.5 30.9-138.2 -84.3 53.6 11.2 35.1 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.0 3,-0.2 -1,-0.4 -0.704 73.3-162.0 -78.6 114.5 56.2 14.1 34.8 55 73 A I T 3 S+ 0 0 31 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.503 85.7 54.7 -80.1 -0.2 53.9 17.2 34.3 56 74 A N T 3 S+ 0 0 123 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.296 105.5 57.8-108.8 1.9 56.8 19.3 33.0 57 75 A V S < S- 0 0 69 -3,-1.0 2,-1.0 76,-0.2 -4,-0.3 -0.980 76.9-132.9-135.4 126.9 57.8 16.8 30.3 58 76 A V + 0 0 109 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.634 30.1 175.5 -76.6 106.7 55.8 15.4 27.4 59 77 A E - 0 0 100 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.460 53.0 -98.7 -94.1 0.2 56.7 11.7 27.7 60 78 A G S S+ 0 0 59 -3,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.157 105.4 81.9 106.5 -19.6 54.4 10.5 25.0 61 79 A N + 0 0 57 -10,-0.3 2,-0.1 38,-0.0 -3,-0.0 0.275 65.7 116.7-104.8 14.8 51.3 9.2 26.9 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.457 41.3-169.4 -88.7 155.5 49.5 12.5 27.4 63 81 A Q E -N 50 0C 36 -13,-1.6 -13,-2.6 -2,-0.1 2,-0.6 -0.985 8.7-163.5-136.8 122.3 46.1 13.7 26.2 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 17.8 171.0-111.5 114.1 45.4 17.5 26.8 65 83 A I E -N 48 0C 20 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.988 27.6-129.4-128.1 135.3 41.7 18.2 26.4 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.453 27.8-111.6 -79.9 158.8 39.9 21.5 27.2 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.672 17.9-163.4 -88.9 144.2 36.8 21.5 29.4 68 86 A S E S- 0 0 66 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.661 75.2 -4.1 -97.1 -26.3 33.5 22.4 27.7 69 87 A K E -O 89 0C 86 20,-1.1 20,-2.8 2,-0.0 -1,-0.4 -0.966 55.6-148.6-165.1 156.0 31.8 23.1 31.1 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.963 8.3-166.1-127.8 140.8 32.2 22.9 34.9 71 89 A I E -O 87 0C 34 16,-2.6 16,-2.3 -2,-0.3 2,-0.3 -0.944 6.7-161.6-132.3 106.3 29.4 22.2 37.4 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.634 43.6 -86.4 -85.5 146.7 30.2 23.0 41.0 73 91 A H > - 0 0 21 12,-2.2 3,-2.0 -2,-0.3 -1,-0.1 -0.322 36.2-124.4 -55.5 134.3 27.9 21.3 43.5 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 108.1 43.2 -53.7 -29.7 24.7 23.4 44.0 75 93 A S T 3 S+ 0 0 70 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.142 77.1 140.6-105.1 19.8 25.3 23.5 47.8 76 94 A Y < - 0 0 54 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.457 35.7-159.9 -67.1 133.4 29.0 24.1 48.0 77 95 A N B >> -P 82 0D 65 5,-1.9 4,-2.6 -2,-0.2 5,-0.6 -0.961 6.0-163.1-115.7 107.3 29.9 26.5 50.8 78 96 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.674 88.2 58.8 -67.5 -15.4 33.3 28.1 50.2 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.893 122.9 19.2 -80.8 -41.9 33.5 29.1 53.8 80 98 A T T 45S- 0 0 70 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.596 95.2-131.3-100.9 -16.3 33.2 25.6 55.3 81 99 A L T ><5 + 0 0 32 -4,-2.6 3,-0.7 1,-0.3 2,-0.2 0.649 50.2 158.6 71.5 23.0 34.2 23.7 52.2 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.555 65.3 18.1 -74.4 140.6 31.1 21.5 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.913 80.7 176.6 63.1 47.1 30.0 19.7 49.4 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.510 32.1 113.2 -83.2 75.6 33.5 20.4 48.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.992 37.3 179.9-147.2 148.1 33.0 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.984 17.6-141.0-148.1 148.4 32.8 19.6 41.0 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.6 -2,-0.3 2,-0.4 -0.914 13.0-163.7-114.8 140.1 32.3 17.8 37.6 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.995 6.9-151.5-125.3 127.4 34.2 18.9 34.5 89 107 A K E -MO 34 69C 38 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.1 -0.836 17.6-130.8-102.2 139.5 33.1 17.8 31.0 90 108 A L E - 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