==== 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 1C2J . 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) . 9293.0 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 . 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 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 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.7 51.7 14.6 49.2 2 17 A V B +A 171 0A 7 169,-2.7 169,-1.8 1,-0.2 123,-0.1 -0.908 360.0 7.7-110.3 134.1 54.0 14.5 52.2 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.675 102.2 120.3 71.6 26.8 55.7 11.3 53.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.195 56.5-117.7-104.1-164.3 54.6 9.5 50.3 5 20 A Y E -B 137 0B 91 132,-2.3 132,-2.9 -2,-0.1 2,-0.4 -0.883 34.8 -86.2-134.1 165.0 56.4 7.7 47.5 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.593 36.8-149.1 -72.5 126.9 56.7 8.0 43.7 7 22 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.4 2,-0.1 0.938 35.9-111.5 -61.3 -53.2 53.8 6.1 42.2 8 23 A G > - 0 0 26 127,-0.4 3,-1.7 -3,-0.1 4,-0.3 -0.171 48.7 -56.8 122.7 143.7 55.4 5.0 39.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.278 118.2 -11.7 -56.8 129.9 54.5 6.3 35.6 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.739 89.5 127.7 48.8 38.5 50.9 5.7 34.8 11 26 A T S < S+ 0 0 79 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.524 77.1 48.5 -93.6 -5.5 50.2 3.4 37.8 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.7 87,-0.1 -1,-0.2 -0.740 74.6 174.3-127.8 74.4 47.2 5.6 38.8 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.647 71.3 57.2 -68.6 -15.6 45.6 5.8 35.3 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.439 81.1 112.8 -91.4 -4.5 42.4 7.7 36.4 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.553 48.2-169.4 -76.2 131.1 44.4 10.6 38.0 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.3 -2,-0.2 2,-0.4 -0.885 16.7-144.4-120.6 154.9 44.0 13.9 36.2 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.3 -2,-0.3 2,-0.5 -0.972 15.4-145.8-115.1 132.9 46.0 17.2 36.4 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.0 -0.863 22.3-168.2-101.0 129.3 43.9 20.4 36.0 19 34 A N E +JK 23 47C 23 28,-2.9 28,-1.8 -2,-0.5 4,-0.2 -0.970 31.6 171.3-124.8 131.8 45.9 23.1 34.2 20 37 A S S S- 0 0 32 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.345 97.4 -46.4-129.5 49.0 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 0.252 141.1 29.4 105.1 -8.8 48.8 27.5 32.3 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.4 0, 0.0 2,-0.3 -0.920 102.6 -83.4-167.7 161.1 50.2 25.5 35.2 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.602 51.7 156.9 -75.5 130.0 49.1 22.6 37.3 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 1,-0.4 151,-0.3 0.515 60.1 7.5-131.8 -16.2 46.8 23.8 40.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.977 61.6-126.8-160.3 164.7 44.6 20.8 41.2 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.508 25.2 179.1-107.0 175.9 44.1 17.1 40.6 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.936 24.5-116.1-165.0 175.7 40.9 15.3 39.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.991 20.6-129.1-128.8 137.2 39.6 11.7 38.8 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.3 -2,-0.4 6,-0.2 -0.744 25.7 176.9 -84.0 124.8 38.3 10.5 35.4 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.598 68.6 -14.3-104.1 -15.4 34.9 8.8 36.0 31 48 A N E > S- L 0 34C 46 3,-1.1 3,-1.1 70,-0.1 -1,-0.4 -0.938 89.4 -75.5-169.9 170.7 34.1 8.0 32.3 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.693 128.9 32.2 -55.3 -19.9 35.5 9.2 28.8 33 50 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.2 1,-0.1 2,-0.4 0.506 110.1 68.3-115.7 -3.4 33.7 12.5 29.0 34 51 A W E < -LM 31 89C 4 -3,-1.1 -4,-2.5 55,-0.2 -3,-1.1 -0.953 45.7-174.1-131.6 144.8 33.7 13.4 32.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.5 -2,-0.4 2,-0.4 -0.945 12.5-152.7-125.0 141.5 36.0 14.4 35.6 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.946 31.4 146.5-114.3 137.0 35.2 14.8 39.4 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.3 -0.756 50.9 -65.0-147.3-166.2 37.4 17.2 41.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.706 30.3-133.7 -97.1 145.1 36.8 19.6 44.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.808 105.8 64.0 -67.1 -27.7 34.7 22.7 44.1 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.531 95.3 62.9 -75.8 0.8 37.4 24.8 45.8 41 58 A b G < S+ 0 0 3 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.293 76.8 136.1 -99.9 3.3 39.5 24.1 42.6 42 59 A Y < + 0 0 127 -3,-1.7 2,-0.3 -5,-0.0 -3,-0.0 -0.320 20.3 149.7 -59.4 136.8 36.9 25.9 40.5 43 60 A K - 0 0 56 3,-0.0 2,-0.3 0, 0.0 3,-0.2 -0.939 46.2-115.8-159.1 159.7 38.4 28.2 37.8 44 61 A S S S+ 0 0 104 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.757 95.0 38.6 -99.7 148.3 37.4 29.3 34.4 45 62 A G S S+ 0 0 65 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.958 75.0 169.1 76.3 52.8 39.7 28.1 31.6 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.1 2,-0.4 -0.794 21.1-166.0-102.4 140.1 40.7 24.6 32.6 47 64 A Q E -KN 19 66C 46 -28,-1.8 -28,-2.9 -2,-0.4 2,-0.4 -0.981 17.6-141.4-122.4 132.9 42.5 22.1 30.4 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.4 2,-0.5 -0.814 11.0-158.3 -98.3 133.6 42.5 18.6 31.7 49 66 A R E -KN 17 64C 50 -32,-2.3 -32,-2.4 -2,-0.4 2,-0.2 -0.983 11.5-175.6-123.0 118.8 45.6 16.6 31.2 50 67 A L E + N 0 63C 4 13,-3.0 13,-1.8 -2,-0.5 -34,-0.1 -0.650 61.5 33.5-106.1 159.6 45.3 12.8 31.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.711 83.0 151.8 63.5 25.6 48.1 10.2 31.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.2 -1,-0.2 -0.534 22.5 151.1 -88.7 152.0 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 0.231 81.8 31.5-137.9 -79.4 53.4 11.3 35.1 54 72 A N S > S- 0 0 28 80,-0.2 3,-0.8 3,-0.2 -1,-0.5 -0.742 73.0-160.1 -82.8 119.3 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 0.517 88.0 51.9 -80.3 -0.3 53.8 17.3 34.4 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.406 105.7 58.5-109.5 -5.5 56.7 19.3 33.0 57 75 A V S < S- 0 0 70 -3,-0.8 2,-0.9 76,-0.2 -4,-0.3 -0.992 76.2-134.4-126.6 131.7 57.8 16.7 30.3 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.762 30.2 175.8 -84.0 111.1 55.6 15.4 27.4 59 77 A E - 0 0 95 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.422 52.3 -98.8 -97.2 -1.9 56.5 11.7 27.8 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.083 104.4 82.2 109.3 -23.4 54.2 10.4 25.2 61 79 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.288 65.3 117.4-101.3 15.0 51.1 9.2 27.0 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.428 41.0-168.8 -88.1 158.9 49.3 12.4 27.6 63 81 A Q E -N 50 0C 39 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.6 -0.982 8.2-164.0-139.4 122.0 45.9 13.7 26.4 64 82 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 18.5 169.8-111.2 114.7 45.3 17.5 27.0 65 83 A I E -N 48 0C 21 -17,-2.8 -17,-3.3 -2,-0.6 2,-0.1 -0.995 28.7-126.5-131.7 134.3 41.5 18.3 26.6 66 84 A S E -N 47 0C 47 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.436 27.2-111.8 -78.8 154.0 39.7 21.5 27.4 67 85 A A E -O 90 0C 24 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.625 21.2-167.3 -82.6 142.5 36.7 21.5 29.7 68 86 A S E S+ 0 0 69 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.687 74.9 4.1 -99.2 -31.8 33.4 22.4 28.0 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.9 2,-0.0 -1,-0.4 -0.970 57.1-156.6-155.2 146.4 31.5 22.9 31.3 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.953 8.9-166.7-121.0 144.1 32.1 22.9 35.1 71 89 A I E -O 87 0C 35 16,-2.5 16,-2.4 -2,-0.4 2,-0.3 -0.948 5.4-159.6-135.0 109.0 29.3 22.2 37.6 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.648 42.8 -87.0 -86.6 143.7 30.0 23.0 41.2 73 91 A H > - 0 0 20 12,-2.1 3,-1.7 -2,-0.3 -1,-0.1 -0.199 35.9-121.6 -48.6 136.3 27.7 21.2 43.7 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 110.2 41.0 -51.8 -30.8 24.5 23.2 44.3 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.115 77.7 142.9-108.7 24.4 25.2 23.4 48.0 76 94 A Y < - 0 0 53 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.428 32.8-161.6 -66.9 132.8 28.9 24.1 48.1 77 95 A N B >> -P 82 0D 68 5,-2.1 4,-2.5 -2,-0.2 5,-0.6 -0.936 6.8-162.3-116.8 105.8 29.8 26.4 50.9 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.620 87.3 56.5 -66.2 -10.8 33.3 28.0 50.4 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.868 123.9 19.7 -90.1 -35.3 33.6 29.0 54.0 80 98 A T T 45S- 0 0 74 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.597 96.3-131.1-105.3 -14.7 33.1 25.6 55.6 81 99 A L T ><5 + 0 0 29 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.640 48.3 160.6 70.1 24.0 34.0 23.5 52.4 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.565 65.9 15.9 -74.6 139.0 30.9 21.5 52.9 83 101 A N T 3 S+ 0 0 17 -2,-0.2 2,-1.8 -7,-0.2 -1,-0.2 0.906 80.6 177.9 63.2 49.4 29.9 19.7 49.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.532 33.3 110.5 -84.0 76.7 33.3 20.3 48.1 85 103 A I + 0 0 0 -2,-1.8 -12,-2.1 -47,-0.3 2,-0.3 -0.990 37.2 179.1-147.2 147.9 32.8 18.5 44.8 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.983 18.7-138.6-150.0 149.8 32.5 19.7 41.1 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.5 -2,-0.3 2,-0.4 -0.884 13.1-162.9-112.4 141.2 32.1 17.9 37.8 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.5 -2,-0.4 2,-0.4 -0.998 7.5-150.2-126.3 127.0 34.0 18.9 34.6 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.1 -0.821 17.3-130.6-100.5 141.0 32.9 17.8 31.2 90 108 A L E - 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