==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-99 1C2M . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,C.LUONG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9255.0 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 . 71 31.8 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 . 15 6.7 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 2 6 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 133.0 51.7 14.6 49.2 2 17 A V B +A 171 0A 8 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.928 360.0 8.2-113.2 135.3 54.1 14.4 52.2 3 18 A G S S+ 0 0 46 121,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.718 101.8 120.1 69.8 27.3 55.7 11.1 53.3 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.321 57.0-118.8-107.5-170.4 54.5 9.3 50.2 5 20 A Y E -B 137 0B 94 132,-2.5 132,-2.8 -2,-0.1 2,-0.6 -0.785 33.8 -87.0-127.3 172.6 56.3 7.6 47.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.722 38.3-150.5 -81.2 123.0 56.6 8.0 43.6 7 22 A a - 0 0 19 128,-1.8 2,-0.2 -2,-0.6 -1,-0.2 0.946 36.7-109.8 -57.6 -55.8 53.7 6.0 42.2 8 23 A G > - 0 0 24 127,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.364 47.9 -54.7 129.6 153.0 55.2 5.1 39.0 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 -2,-0.2 43,-0.1 -0.372 120.1 -12.8 -61.0 129.9 54.4 6.3 35.5 10 25 A N T 3 S+ 0 0 23 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.816 90.6 129.0 45.9 47.0 50.7 5.8 34.8 11 26 A T S < S+ 0 0 78 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.558 76.0 49.3-100.6 -9.0 50.0 3.4 37.8 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.766 76.9 175.6-123.4 72.1 47.0 5.6 38.9 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.678 71.8 57.6 -66.3 -16.0 45.4 5.7 35.4 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.465 81.2 112.5 -91.9 -2.5 42.3 7.6 36.5 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.494 46.4-173.4 -74.2 136.3 44.4 10.5 37.9 16 31 A V E -JK 27 50C 0 11,-2.1 11,-1.2 -2,-0.2 2,-0.4 -0.883 18.3-142.6-127.5 161.7 44.0 13.8 36.0 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.5 -2,-0.3 2,-0.5 -0.992 14.8-144.5-125.2 128.5 45.8 17.2 36.3 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.1 -0.848 23.7-169.5 -98.3 129.3 43.7 20.3 35.8 19 34 A N E +JK 23 47C 22 28,-3.1 28,-2.3 -2,-0.5 4,-0.2 -0.976 31.1 170.5-126.9 135.3 45.8 23.0 34.1 20 37 A S S S- 0 0 32 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.379 97.7 -45.0-134.0 47.0 45.1 26.7 33.5 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.237 141.2 28.1 107.2 -12.2 48.7 27.5 32.3 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.917 102.5 -83.0-167.0 159.0 50.1 25.4 35.2 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.560 51.2 158.6 -71.8 130.5 48.9 22.5 37.2 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.5 151,-0.2 0.528 59.3 6.7-131.1 -16.3 46.6 23.8 40.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.3 151,-0.1 -1,-0.5 -0.981 60.6-126.6-161.1 165.0 44.5 20.8 41.0 26 43 A G E +J 17 0C 2 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.496 25.6 177.5-107.1 176.3 44.0 17.0 40.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.1 -2,-0.2 2,-0.4 -0.931 25.2-114.1-166.3 176.7 40.8 15.2 39.5 28 45 A S E -JL 15 36C 2 8,-2.2 8,-2.1 -2,-0.3 2,-0.5 -0.990 20.5-129.4-128.4 135.5 39.5 11.7 38.7 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.735 25.0 177.4 -84.8 125.1 38.2 10.4 35.4 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.629 68.9 -17.5-102.1 -16.7 34.8 8.7 36.0 31 48 A N E > S- L 0 34C 46 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.921 89.4 -72.0-172.3 170.6 34.1 7.8 32.2 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.680 129.0 31.3 -49.0 -28.7 35.4 9.0 28.8 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.531 110.4 65.3-110.8 -6.8 33.7 12.4 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.0 -4,-2.5 55,-0.2 -3,-1.2 -0.948 45.8-174.7-130.6 145.2 33.6 13.4 32.7 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.926 13.6-150.2-125.7 146.6 36.0 14.2 35.6 36 53 A V E +LM 28 87C 1 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.2 -0.958 30.4 148.6-118.4 137.0 35.1 14.8 39.3 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.745 51.1 -65.1-145.9-164.9 37.3 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.691 33.8-131.0 -94.2 145.0 36.7 19.6 44.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.847 106.2 65.1 -64.8 -30.9 34.5 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 0.545 93.7 63.5 -73.0 2.0 37.2 24.9 45.4 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.349 74.5 133.6 -98.7 -0.4 39.3 24.1 42.3 42 59 A Y < + 0 0 127 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.337 23.6 153.8 -59.4 132.5 36.8 25.8 40.1 43 60 A K - 0 0 58 -2,-0.0 2,-0.4 0, 0.0 3,-0.2 -0.914 45.4-115.6-149.2 164.8 38.4 28.1 37.6 44 61 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.874 95.9 39.7-105.9 140.0 37.4 29.3 34.3 45 62 A G S S+ 0 0 62 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.936 75.1 172.9 87.6 51.3 39.7 28.1 31.5 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.4 -0.777 18.9-170.5-100.4 137.3 40.5 24.5 32.4 47 64 A Q E -KN 19 66C 50 -28,-2.3 -28,-3.1 -2,-0.4 2,-0.4 -0.972 18.7-142.9-120.5 135.3 42.4 22.0 30.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.0 -2,-0.4 2,-0.5 -0.841 9.7-158.4-101.3 135.2 42.4 18.5 31.6 49 66 A R E -KN 17 64C 50 -32,-2.5 -32,-1.9 -2,-0.4 2,-0.3 -0.988 11.7-175.2-121.7 120.0 45.6 16.5 31.2 50 67 A L E +KN 16 63C 2 13,-3.0 13,-1.8 -2,-0.5 -34,-0.1 -0.728 61.9 35.2-108.8 157.8 45.3 12.7 31.3 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.3 48,-0.3 10,-0.2 0.737 83.0 157.8 69.1 27.5 48.1 10.0 31.2 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.622 23.6 148.8 -91.4 146.5 50.4 12.2 33.1 53 71 A D S S+ 0 0 19 1,-0.4 2,-0.7 -2,-0.3 82,-0.4 0.370 81.7 28.8-131.0 -75.8 53.4 11.2 35.2 54 72 A N S > S- 0 0 29 3,-0.2 3,-1.0 80,-0.2 -1,-0.4 -0.816 70.6-159.9 -92.0 120.4 55.8 14.1 34.9 55 73 A I T 3 S+ 0 0 33 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.577 89.5 52.5 -77.7 -6.0 53.7 17.3 34.5 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.361 105.3 58.7-107.5 1.3 56.7 19.2 33.1 57 75 A V S < S- 0 0 71 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.990 71.9-139.8-133.6 126.4 57.6 16.7 30.4 58 76 A V + 0 0 108 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.748 27.2 175.4 -83.9 110.4 55.5 15.4 27.5 59 77 A E - 0 0 97 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.267 52.9 -96.4-100.8 10.7 56.5 11.7 27.5 60 78 A G S S+ 0 0 65 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.058 106.0 82.6 102.3 -30.1 54.1 10.5 24.8 61 79 A N + 0 0 63 -10,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.104 66.0 115.3-100.6 28.7 51.2 9.1 26.8 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.663 43.2-167.0-102.7 157.7 49.3 12.3 27.4 63 81 A Q E -N 50 0C 36 -13,-1.8 -13,-3.0 -2,-0.3 2,-0.6 -0.988 8.0-166.0-133.4 119.6 45.9 13.6 26.3 64 82 A F E +N 49 0C 69 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 18.2 171.2-110.4 112.1 45.3 17.3 26.9 65 83 A I E -N 48 0C 20 -17,-3.0 -17,-3.4 -2,-0.6 2,-0.1 -0.981 27.7-128.7-127.1 135.5 41.6 18.1 26.5 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.3 26,-0.4 -0.485 27.0-111.8 -81.8 156.2 39.8 21.3 27.3 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.645 18.2-164.0 -85.9 142.2 36.7 21.3 29.4 68 86 A S E S- 0 0 67 21,-2.4 2,-0.3 1,-0.3 22,-0.2 0.733 74.1 -3.2 -94.7 -34.3 33.3 22.2 27.7 69 87 A K E -O 89 0C 85 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.990 55.5-149.1-159.1 157.9 31.6 22.8 31.1 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.982 7.2-166.7-129.9 140.1 31.9 22.8 34.8 71 89 A I E -O 87 0C 34 16,-2.7 16,-2.2 -2,-0.4 2,-0.3 -0.964 6.9-161.1-130.1 110.7 29.2 22.1 37.4 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.675 43.1 -86.1 -88.5 147.6 29.9 22.9 41.0 73 91 A H > - 0 0 21 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.249 35.6-121.9 -53.8 136.3 27.6 21.2 43.5 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.795 110.3 40.4 -49.2 -34.5 24.4 23.2 44.2 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.087 77.9 144.5-107.4 25.5 25.1 23.4 47.9 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.452 31.6-162.7 -65.6 135.5 28.8 24.1 47.9 77 95 A N B >> -P 82 0D 64 5,-2.0 4,-2.1 -2,-0.1 5,-0.6 -0.957 7.1-164.2-119.3 105.7 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 0.648 86.7 58.1 -69.6 -10.5 33.2 27.9 50.2 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.900 123.0 19.9 -85.4 -38.4 33.4 29.1 53.8 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.513 96.8-130.4-104.0 -11.2 33.0 25.6 55.4 81 99 A L T ><5 + 0 0 30 -4,-2.1 3,-0.7 1,-0.3 2,-0.2 0.674 50.3 158.7 67.1 22.6 34.0 23.6 52.3 82 100 A N B 3 < +P 77 0D 38 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.558 65.3 17.0 -76.3 139.6 30.8 21.5 52.8 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.917 79.6 176.1 62.5 49.0 29.8 19.7 49.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.510 32.4 113.1 -86.0 76.6 33.2 20.3 48.0 85 103 A I + 0 0 0 -2,-1.9 -12,-2.2 -47,-0.3 2,-0.3 -0.989 36.1 177.9-145.1 147.3 32.7 18.4 44.7 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.981 18.8-140.1-149.9 150.6 32.5 19.5 41.0 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.4 -0.907 12.8-163.6-115.7 140.8 32.1 17.8 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.996 8.2-149.6-127.6 125.0 34.0 18.8 34.5 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.4 -2,-0.4 -20,-1.1 -0.800 17.4-127.9 -98.4 141.0 32.9 17.6 31.1 90 108 A L E - 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