==== 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 1C2H . 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) . 9311.0 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 . 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 . 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 0.000 360.0 360.0 360.0 125.3 51.7 14.6 49.2 2 17 A V B +A 171 0A 6 169,-2.6 169,-2.0 1,-0.2 123,-0.1 -0.900 360.0 8.1-108.3 133.2 53.9 14.6 52.3 3 18 A G S S+ 0 0 51 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.704 102.2 116.1 69.7 29.6 55.6 11.3 53.4 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.217 58.4-115.0-108.6-161.5 54.5 9.4 50.3 5 20 A Y E -B 137 0B 93 132,-2.0 132,-3.0 -2,-0.1 2,-0.4 -0.908 34.7 -85.4-136.7 164.4 56.4 7.7 47.5 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.549 37.8-149.2 -70.0 126.4 56.7 8.1 43.7 7 22 A a - 0 0 20 128,-2.2 -1,-0.1 -2,-0.4 2,-0.1 0.934 35.3-110.0 -63.6 -50.7 53.8 6.1 42.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.144 49.2 -58.4 122.1 142.9 55.4 5.0 39.0 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.290 117.9 -11.4 -57.7 130.1 54.4 6.3 35.6 10 25 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.736 89.7 128.2 49.8 37.9 50.8 5.8 34.8 11 26 A T S < S+ 0 0 80 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.455 77.7 48.1 -94.0 -0.7 50.2 3.4 37.8 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.688 73.9 172.8-131.5 70.0 47.2 5.6 38.7 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.613 71.6 57.9 -67.3 -13.7 45.6 5.9 35.3 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.448 81.1 110.4 -93.1 -3.4 42.4 7.7 36.5 15 30 A Q E < -J 28 0C 6 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.571 49.7-169.4 -77.6 134.2 44.4 10.6 38.0 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.0 -2,-0.3 2,-0.4 -0.862 16.8-143.6-122.3 156.3 44.0 13.9 36.1 17 32 A S E -JK 26 49C 0 32,-2.3 32,-2.5 -2,-0.3 2,-0.5 -0.979 15.5-144.5-117.3 130.3 46.0 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.2 -2,-0.4 7,-0.9 -0.852 23.4-168.2 -98.6 129.0 43.8 20.4 36.0 19 34 A N E +JK 23 47C 23 28,-3.0 28,-2.2 -2,-0.5 4,-0.2 -0.968 31.5 168.6-125.1 133.3 45.9 23.0 34.2 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.346 96.8 -44.6-131.5 47.8 45.3 26.7 33.7 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.172 141.3 25.0 109.3 -16.7 48.9 27.6 32.4 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.930 102.9 -81.5-165.6 163.4 50.3 25.4 35.2 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.582 50.8 158.3 -76.4 130.9 49.0 22.5 37.3 24 41 A F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.526 59.7 6.0-131.9 -11.4 46.8 23.8 40.2 25 42 A b E -J 18 0C 6 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.975 61.2-126.1-164.4 165.3 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 -0.441 25.8 176.7-108.0-179.3 44.1 17.0 40.6 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.2 2,-0.4 -0.938 25.5-111.9-171.3 176.2 40.8 15.3 39.7 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.4 -2,-0.3 2,-0.5 -0.986 19.8-129.3-127.9 139.3 39.6 11.7 38.8 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.772 26.2 175.5 -87.0 124.3 38.3 10.5 35.4 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.552 69.0 -14.6-105.0 -13.1 34.9 8.7 36.0 31 48 A N E > S- L 0 34C 49 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.916 89.9 -76.2-172.7 169.2 34.0 8.0 32.3 32 49 A S T 3 S+ 0 0 37 -2,-0.3 62,-2.5 1,-0.2 60,-0.1 0.697 127.9 33.3 -54.4 -24.6 35.4 9.2 28.9 33 50 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.483 110.1 68.1-111.0 -2.0 33.7 12.6 29.0 34 51 A W E < -LM 31 89C 6 -3,-1.1 -4,-2.4 55,-0.2 -3,-1.1 -0.964 46.6-174.4-133.2 144.9 33.6 13.5 32.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.945 13.2-150.8-125.3 141.7 36.0 14.3 35.6 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.2 -0.943 30.9 148.4-114.2 136.8 35.2 14.8 39.4 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.723 50.3 -67.7-144.9-164.9 37.3 17.2 41.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.747 31.5-131.7 -98.1 143.9 36.8 19.6 44.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.810 106.6 64.8 -64.9 -26.3 34.7 22.7 44.1 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.579 93.6 62.9 -76.2 -0.4 37.5 24.8 45.7 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.276 77.2 136.8 -99.2 5.7 39.5 24.0 42.6 42 59 A Y < + 0 0 130 -3,-1.8 2,-0.3 -4,-0.0 -3,-0.0 -0.341 19.4 148.4 -62.4 134.9 37.0 25.9 40.5 43 60 A K - 0 0 58 -2,-0.0 2,-0.3 3,-0.0 3,-0.3 -0.926 46.6-115.9-155.9 162.3 38.5 28.2 37.8 44 61 A S S S+ 0 0 108 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.810 95.7 38.4-102.7 144.7 37.4 29.3 34.4 45 62 A G S S+ 0 0 64 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.920 75.1 168.2 81.9 44.9 39.8 28.1 31.5 46 63 A I - 0 0 11 -3,-0.3 21,-2.0 -26,-0.1 2,-0.4 -0.749 20.6-165.8 -96.6 139.9 40.7 24.6 32.7 47 64 A Q E -KN 19 66C 48 -28,-2.2 -28,-3.0 -2,-0.4 2,-0.5 -0.969 17.7-140.0-120.3 135.1 42.4 22.1 30.4 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.1 -2,-0.4 2,-0.6 -0.833 11.8-157.7-100.0 131.9 42.4 18.5 31.7 49 66 A R E -KN 17 64C 52 -32,-2.5 -32,-2.3 -2,-0.5 2,-0.2 -0.977 11.7-174.4-121.3 117.5 45.6 16.6 31.3 50 67 A L E + N 0 63C 4 13,-3.0 13,-1.6 -2,-0.6 -34,-0.1 -0.653 60.4 31.7-103.9 157.1 45.3 12.8 31.3 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.722 82.8 153.9 63.9 27.3 48.1 10.1 31.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.2 -1,-0.2 -0.523 23.8 150.4 -89.2 150.0 50.5 12.2 33.0 53 71 A D S S+ 0 0 14 1,-0.5 2,-0.7 4,-0.3 82,-0.2 0.283 82.4 31.2-135.3 -79.3 53.4 11.2 35.2 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.744 72.7-162.1 -82.8 116.1 56.0 14.1 34.9 55 73 A I T 3 S+ 0 0 29 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.495 87.0 53.5 -80.0 0.6 53.8 17.2 34.4 56 74 A N T 3 S+ 0 0 115 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.443 105.9 57.2-108.7 -7.0 56.7 19.2 33.1 57 75 A V S < S- 0 0 75 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.990 76.2-134.1-126.6 131.6 57.7 16.7 30.4 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.716 29.5 176.9 -80.7 113.1 55.6 15.3 27.5 59 77 A E - 0 0 100 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.456 52.7 -97.6 -98.6 -1.4 56.5 11.6 27.8 60 78 A G S S+ 0 0 60 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.190 105.9 81.3 107.5 -16.8 54.2 10.4 25.1 61 79 A N + 0 0 55 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.285 64.8 113.6-107.5 14.1 51.1 9.2 27.0 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.500 42.7-167.0 -89.7 157.3 49.2 12.4 27.6 63 81 A Q E -N 50 0C 40 -13,-1.6 -13,-3.0 -2,-0.2 2,-0.6 -0.981 9.6-161.7-137.2 124.2 45.9 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 -0.969 19.0 170.5-111.5 113.9 45.3 17.4 26.9 65 83 A I E -N 48 0C 20 -17,-3.1 -17,-3.4 -2,-0.6 2,-0.1 -0.993 27.7-128.3-131.1 134.3 41.5 18.2 26.6 66 84 A S E -N 47 0C 46 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.424 26.7-112.6 -79.2 158.0 39.7 21.4 27.4 67 85 A A E -O 90 0C 28 -21,-2.0 23,-0.3 23,-0.2 3,-0.1 -0.664 19.9-167.6 -87.0 141.6 36.7 21.5 29.6 68 86 A S E S+ 0 0 70 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.641 75.0 4.2 -98.7 -28.8 33.3 22.5 27.9 69 87 A K E -O 89 0C 84 20,-1.0 20,-2.8 2,-0.0 -1,-0.4 -0.970 56.5-156.6-158.5 145.7 31.5 22.9 31.3 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.973 8.4-166.2-123.1 139.6 32.1 22.9 35.1 71 89 A I E -O 87 0C 35 16,-2.6 16,-2.2 -2,-0.4 2,-0.3 -0.936 5.4-160.2-132.0 106.3 29.3 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 -0.618 43.5 -86.3 -83.2 144.3 30.1 23.1 41.2 73 91 A H > - 0 0 21 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.237 36.0-123.9 -50.7 136.4 27.8 21.3 43.7 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 109.9 41.6 -52.9 -30.6 24.5 23.4 44.2 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.105 78.1 142.4-108.5 24.0 25.2 23.4 48.0 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.456 34.1-159.7 -67.1 133.7 28.9 24.0 48.1 77 95 A N B >> -P 82 0D 67 5,-2.1 4,-2.5 -2,-0.2 5,-0.6 -0.949 6.6-164.1-116.4 105.9 29.9 26.3 51.0 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.582 86.9 56.4 -69.4 -8.7 33.3 28.0 50.5 79 97 A N T 45S+ 0 0 150 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.839 124.6 19.5 -90.4 -36.3 33.6 29.0 54.1 80 98 A T T 45S- 0 0 74 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.563 96.4-131.1-105.6 -14.5 33.1 25.6 55.6 81 99 A L T ><5 + 0 0 28 -4,-2.5 3,-0.7 1,-0.3 2,-0.2 0.656 48.7 160.3 69.4 23.7 34.0 23.6 52.5 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.574 65.9 16.8 -75.0 139.7 30.9 21.5 53.0 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.899 80.4 177.9 64.1 47.1 29.9 19.7 49.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.537 33.3 112.7 -83.3 78.7 33.4 20.3 48.2 85 103 A I - 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