==== 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 1C2K . 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) . 9191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 73 32.7 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 . 16 7.2 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 . 4 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, 0.0 171,-0.2 0.000 360.0 360.0 360.0 138.8 51.6 14.6 49.0 2 17 A V B +A 171 0A 11 169,-2.7 169,-1.8 1,-0.2 123,-0.1 -0.879 360.0 7.6-112.4 145.2 54.0 14.5 52.0 3 18 A G S S+ 0 0 53 121,-0.4 -1,-0.2 -2,-0.4 167,-0.1 0.591 102.0 117.0 62.7 17.1 55.5 11.2 53.2 4 19 A G - 0 0 28 -3,-0.2 134,-0.3 167,-0.1 2,-0.2 -0.204 59.0-120.5 -97.9-167.6 54.2 9.3 50.1 5 20 A Y E -B 137 0B 92 132,-2.7 132,-3.0 -3,-0.1 2,-0.6 -0.787 32.6 -84.4-130.1 175.6 56.2 7.6 47.3 6 21 A T E -B 136 0B 77 -2,-0.2 130,-0.3 130,-0.2 129,-0.1 -0.724 37.6-153.4 -81.6 119.8 56.5 7.9 43.5 7 22 A a - 0 0 19 128,-1.4 2,-0.3 -2,-0.6 -1,-0.2 0.977 30.2-135.2 -58.2 -60.0 53.7 5.9 42.1 8 23 A G > - 0 0 34 127,-0.4 3,-0.6 -3,-0.1 4,-0.3 -0.775 43.0 -26.2 129.2-173.6 55.3 5.0 38.8 9 24 A A T 3 S- 0 0 70 -2,-0.3 44,-0.1 1,-0.2 43,-0.0 -0.553 121.2 -21.1 -76.2 139.2 54.1 5.0 35.2 10 25 A N T 3 S+ 0 0 36 -2,-0.2 -1,-0.2 1,-0.1 43,-0.1 0.716 89.0 127.0 28.8 55.2 50.3 4.5 34.9 11 26 A T S < S+ 0 0 76 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.660 84.3 36.7-101.8 -23.7 49.6 2.9 38.3 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.675 77.9 167.0-122.1 70.1 46.8 5.5 39.0 13 28 A P T 3 + 0 0 28 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.593 68.2 62.7 -72.2 -5.7 45.6 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 0.425 79.0 116.1 -97.2 0.6 42.4 7.6 36.3 15 30 A Q E < -J 28 0C 8 -3,-1.9 36,-0.6 13,-0.2 37,-0.4 -0.531 45.1-170.9 -76.1 138.1 44.4 10.5 37.7 16 31 A V E -JK 27 50C 0 11,-1.9 11,-1.3 -2,-0.2 2,-0.4 -0.894 16.8-142.1-126.9 154.4 44.0 13.9 35.9 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.1 -2,-0.3 2,-0.5 -0.962 12.9-144.8-116.9 137.1 45.8 17.2 36.1 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.2 -0.900 24.5-172.0-102.0 125.0 43.7 20.4 35.9 19 34 A N E +JK 23 47C 26 28,-3.0 28,-2.1 -2,-0.5 4,-0.2 -0.970 29.5 167.1-123.4 132.6 45.8 23.0 34.0 20 37 A S S S- 0 0 34 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.371 97.0 -44.5-135.3 49.6 45.1 26.8 33.4 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.050 141.4 25.5 109.6 -24.4 48.7 27.6 32.2 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.4 0, 0.0 2,-0.4 -0.922 104.2 -80.4-155.9 169.5 50.1 25.6 35.0 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.677 51.5 160.2 -81.5 127.7 48.9 22.6 37.0 24 41 A F E + 0 0 29 -6,-2.6 2,-0.3 -2,-0.4 151,-0.2 0.628 57.7 4.5-123.4 -22.0 46.6 23.9 39.8 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-3.1 151,-0.1 -1,-0.4 -0.963 61.5-121.2-156.0 171.5 44.5 20.9 40.9 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.523 25.6 177.6-110.5 175.9 43.9 17.1 40.5 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-1.9 -2,-0.2 2,-0.4 -0.955 24.4-118.8-166.1 176.8 40.9 15.2 39.4 28 45 A S E -JL 15 36C 2 8,-2.1 8,-2.4 -2,-0.3 2,-0.4 -0.999 22.4-130.6-132.4 133.5 39.6 11.6 38.6 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.2 -2,-0.4 6,-0.2 -0.728 23.9 178.2 -83.6 128.9 38.2 10.4 35.3 30 47 A I E - 0 0 21 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.536 67.5 -15.5-107.7 -10.9 34.9 8.6 35.7 31 48 A N E > S- L 0 34C 45 3,-1.0 3,-1.2 70,-0.1 -1,-0.4 -0.917 89.9 -72.6-176.3 165.1 34.1 7.8 32.1 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.1 1,-0.2 60,-0.1 0.697 128.5 31.0 -43.2 -32.3 35.4 8.9 28.7 33 50 A Q T 3 S+ 0 0 88 60,-0.2 57,-2.9 56,-0.1 2,-0.4 0.523 108.9 67.1-110.8 -4.3 33.7 12.4 28.9 34 51 A W E < -LM 31 89C 5 -3,-1.2 -4,-2.4 55,-0.2 -3,-1.0 -0.931 46.4-172.8-128.5 147.8 33.6 13.3 32.6 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.964 12.7-150.6-128.3 140.9 36.0 14.3 35.4 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.2 -0.934 31.4 147.3-113.3 140.1 35.2 14.8 39.2 37 54 A S E - M 0 86C 0 49,-2.2 49,-1.9 -2,-0.4 2,-0.3 -0.764 51.7 -66.4-147.9-166.6 37.3 17.2 41.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.673 34.3-128.3 -94.9 146.4 36.7 19.6 44.0 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.769 107.4 64.7 -67.1 -21.4 34.5 22.7 43.7 40 57 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.1 0.424 92.5 64.6 -83.6 8.3 37.2 24.9 45.1 41 58 A b G < S+ 0 0 2 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.368 73.3 132.5-103.6 0.7 39.3 24.1 42.0 42 59 A Y < + 0 0 126 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.0 -0.371 21.3 147.8 -61.6 136.3 36.8 25.8 39.8 43 60 A K - 0 0 62 0, 0.0 2,-0.3 0, 0.0 3,-0.3 -0.886 46.2-114.2-157.3 159.4 38.4 28.1 37.3 44 61 A S S S+ 0 0 100 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.691 95.0 39.3-100.9 155.2 37.3 29.0 33.8 45 62 A G S S+ 0 0 63 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.914 77.4 174.6 71.4 48.1 39.5 27.9 30.9 46 63 A I - 0 0 9 -3,-0.3 21,-2.2 -26,-0.1 2,-0.4 -0.660 17.4-165.4 -90.4 140.2 40.5 24.5 32.3 47 64 A Q E -KN 19 66C 48 -28,-2.1 -28,-3.0 -2,-0.3 2,-0.4 -0.972 13.2-145.5-121.5 137.2 42.5 22.0 30.2 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.1 -2,-0.4 2,-0.5 -0.865 7.8-160.5-106.6 134.3 42.6 18.4 31.4 49 66 A R E -KN 17 64C 51 -32,-2.1 -32,-2.1 -2,-0.4 2,-0.3 -0.987 10.6-172.2-119.7 122.0 45.7 16.4 30.9 50 67 A L E +KN 16 63C 2 13,-2.9 13,-1.5 -2,-0.5 -34,-0.1 -0.730 63.9 31.4-110.1 161.1 45.3 12.6 31.1 51 69 A G S S+ 0 0 4 -36,-0.6 2,-0.3 48,-0.3 -1,-0.2 0.838 83.3 153.6 58.4 39.9 48.1 9.9 31.1 52 70 A E + 0 0 11 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.760 21.9 155.0 -99.4 141.2 50.5 12.3 32.9 53 71 A D S S+ 0 0 19 1,-0.4 2,-0.7 -2,-0.3 82,-0.4 0.518 80.3 31.0-127.5 -61.6 53.3 11.2 35.1 54 72 A N S > S- 0 0 30 3,-0.3 3,-1.2 80,-0.2 -1,-0.4 -0.894 70.1-159.5-101.3 115.3 55.7 14.2 34.9 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.553 90.5 51.2 -73.6 -3.1 53.7 17.3 34.5 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.379 106.1 58.8-110.4 4.0 56.7 19.2 33.1 57 75 A V S < S- 0 0 68 -3,-1.2 2,-0.7 76,-0.2 -3,-0.3 -0.995 71.9-141.8-134.0 126.6 57.7 16.6 30.4 58 76 A V - 0 0 101 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.1 -0.794 20.1-178.4 -87.9 118.2 55.5 15.4 27.6 59 77 A E - 0 0 87 -2,-0.7 -1,-0.1 -5,-0.1 -7,-0.0 -0.097 51.9-102.6-106.6 32.1 56.4 11.6 27.4 60 78 A G S S+ 0 0 73 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.602 103.9 94.6 61.3 8.7 54.1 10.9 24.4 61 79 A N + 0 0 37 -10,-0.2 2,-0.2 38,-0.0 -1,-0.1 0.370 62.1 105.7-111.1 8.0 51.4 9.3 26.7 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.508 49.4-160.9 -99.0 163.6 49.2 12.2 27.2 63 81 A Q E -N 50 0C 33 -13,-1.5 -13,-2.9 -2,-0.2 2,-0.6 -0.996 11.1-163.8-130.7 124.2 45.9 13.5 26.1 64 82 A F E +N 49 0C 70 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.971 20.7 167.4-112.9 111.1 45.4 17.2 26.6 65 83 A I E -N 48 0C 21 -17,-3.1 -17,-3.4 -2,-0.6 2,-0.2 -0.984 28.3-130.2-128.8 138.3 41.6 18.0 26.3 66 84 A S E -N 47 0C 44 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.528 26.2-110.1 -87.8 156.0 39.8 21.2 27.3 67 85 A A E -O 90 0C 22 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.543 17.5-163.2 -79.5 146.3 36.7 21.2 29.4 68 86 A S E S- 0 0 66 21,-2.4 2,-0.3 1,-0.4 22,-0.2 0.739 75.0 -6.5 -99.6 -33.8 33.4 22.1 27.6 69 87 A K E -O 89 0C 91 20,-1.0 20,-2.4 2,-0.0 -1,-0.4 -0.989 56.1-147.8-157.0 161.1 31.7 22.8 30.9 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.986 7.1-163.9-132.3 142.7 32.0 22.7 34.8 71 89 A I E -O 87 0C 33 16,-2.6 16,-2.9 -2,-0.3 2,-0.3 -0.996 6.2-160.7-130.2 119.0 29.2 22.1 37.3 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.3 12,-0.1 -0.766 42.6 -87.8 -96.6 144.0 29.9 23.0 41.0 73 91 A H > - 0 0 22 12,-2.2 3,-2.2 -2,-0.3 -1,-0.1 -0.275 33.7-123.4 -52.8 134.9 27.5 21.3 43.4 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.797 111.6 43.7 -47.0 -37.1 24.3 23.3 44.0 75 93 A S T 3 S+ 0 0 70 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.205 77.8 143.6 -98.3 16.6 25.1 23.4 47.8 76 94 A Y < - 0 0 54 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.366 32.0-163.9 -60.0 126.3 28.8 24.1 47.6 77 95 A N B >> -P 82 0D 66 5,-2.4 4,-2.2 -2,-0.1 5,-0.5 -0.934 6.2-163.6-110.2 110.3 29.8 26.4 50.6 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.645 86.5 55.8 -72.9 -8.4 33.2 28.0 50.0 79 97 A N T 45S+ 0 0 146 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.910 123.0 20.8 -86.6 -46.7 33.6 29.0 53.6 80 98 A T T 45S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.582 96.1-132.0 -95.1 -17.5 33.1 25.6 55.2 81 99 A L T ><5 + 0 0 31 -4,-2.2 3,-0.8 1,-0.3 2,-0.3 0.702 49.7 157.4 68.2 28.0 34.0 23.6 52.1 82 100 A N B 3 < +P 77 0D 33 -5,-0.5 -5,-2.4 1,-0.3 -1,-0.3 -0.650 65.3 17.9 -80.7 140.0 30.9 21.5 52.6 83 101 A N T 3 S+ 0 0 16 -2,-0.3 2,-2.2 -7,-0.2 -10,-0.3 0.842 79.5 174.3 64.0 44.6 29.8 19.8 49.3 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.1 -1,-0.2 -0.452 31.5 113.2 -83.2 76.3 33.2 20.4 47.7 85 103 A I + 0 0 0 -2,-2.2 -12,-2.2 -47,-0.3 2,-0.3 -0.987 35.6 176.5-143.9 147.3 32.6 18.5 44.5 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.2 -2,-0.3 2,-0.4 -0.975 20.4-137.1-149.3 151.7 32.4 19.7 40.8 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-2.6 -2,-0.3 2,-0.4 -0.927 12.4-163.0-115.5 138.3 32.0 17.9 37.5 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.995 7.6-151.9-124.6 125.4 34.0 18.8 34.4 89 107 A K E -MO 34 69C 46 -20,-2.4 -21,-2.4 -2,-0.4 -20,-1.0 -0.785 17.6-129.0 -97.9 142.5 32.8 17.6 31.0 90 108 A L E - 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