==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUL-94 1TNH . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.KURINOV,R.W.HARRISON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 1 0.4 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 . 19 8.5 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 . 4 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 0.000 360.0 360.0 360.0 126.0 35.6 20.5 19.2 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.860 360.0 3.5-100.1 132.4 37.9 19.7 16.1 3 18 A G S S+ 0 0 37 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.770 102.0 120.8 70.0 26.0 39.6 22.6 14.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.180 57.3-112.1-101.4-161.1 38.4 25.3 16.7 5 20 A Y E -B 137 0B 99 132,-2.6 132,-2.9 -2,-0.1 2,-0.4 -0.892 35.8 -88.8-133.0 161.5 40.2 27.8 19.0 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.628 36.4-148.2 -69.7 120.6 40.5 28.3 22.8 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.916 35.6-112.6 -56.6 -45.1 37.5 30.4 23.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.090 47.3 -57.4 111.0 140.8 39.1 32.2 26.7 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.257 118.4 -11.5 -57.8 123.1 38.2 31.8 30.3 10 25 A N T 3 S+ 0 0 27 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.674 91.0 125.4 59.4 29.3 34.5 32.6 30.9 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.569 76.1 49.5 -89.5 -6.4 33.8 34.2 27.5 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.670 74.9 174.0-125.2 76.8 30.9 31.7 27.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.581 71.1 56.8 -75.7 -12.1 29.2 32.3 30.4 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.432 81.2 113.0 -89.2 -7.1 26.1 30.1 29.7 15 30 A Q E < -J 28 0C 8 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.531 47.7-171.8 -69.6 120.3 28.3 27.0 29.0 16 31 A V E -J 27 0C 1 11,-2.7 11,-1.0 -2,-0.4 2,-0.5 -0.854 17.8-142.5-109.2 156.6 27.9 24.3 31.6 17 32 A S E -JK 26 49C 1 32,-2.8 32,-2.7 -2,-0.3 2,-0.6 -0.960 14.8-143.4-108.8 128.8 29.8 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.7 -2,-0.5 7,-1.1 -0.865 24.0-169.3 -90.3 126.2 27.7 18.1 33.3 19 34 A N E +JK 23 47C 22 28,-2.7 28,-2.8 -2,-0.6 4,-0.2 -0.941 31.5 168.3-122.2 130.9 29.7 16.0 35.8 20 37 A S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.377 97.5 -47.6-128.6 51.1 29.1 12.5 37.3 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.192 140.9 31.2 99.4 -13.0 32.6 12.2 38.7 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.953 102.4 -84.7-161.5 154.7 34.0 13.3 35.4 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.589 52.0 157.3 -62.6 126.2 32.9 15.7 32.6 24 41 A F E + 0 0 32 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.557 59.2 7.7-124.7 -15.8 30.6 13.7 30.2 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.992 61.8-127.1-160.5 152.9 28.4 16.3 28.4 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.366 28.5 174.6 -90.6-177.1 27.9 20.0 28.0 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.7 -2,-0.1 2,-0.4 -0.964 25.2-109.2-173.0 178.8 24.7 22.0 28.5 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.6 -0.982 16.6-133.3-132.1 130.5 23.3 25.6 28.6 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.7 -2,-0.4 6,-0.2 -0.702 26.9 172.2 -80.4 116.1 22.1 27.7 31.4 30 47 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 75,-0.2 0.553 69.2 -7.6-103.7 -14.8 18.7 29.2 30.3 31 48 A N E > S- L 0 34C 49 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.949 90.3 -79.3-159.6-177.0 17.8 30.8 33.7 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.705 127.4 28.5 -68.5 -12.9 19.2 30.7 37.2 33 50 A Q T 3 S+ 0 0 55 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.451 110.3 71.2-122.9 1.3 17.7 27.3 38.1 34 51 A W E < -LM 31 89C 9 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.2 -0.952 47.9-172.1-132.6 138.0 17.4 25.5 34.7 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.919 11.4-151.3-118.1 137.2 19.8 23.9 32.3 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.896 29.8 147.9-107.5 141.4 19.0 22.5 28.8 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.0 -2,-0.4 2,-0.4 -0.802 51.6 -63.5-147.3-167.9 21.1 19.6 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.2 47,-0.3 -0.751 34.6-134.7 -89.2 137.3 20.8 16.6 25.0 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.871 106.9 64.6 -60.3 -31.1 18.4 13.7 26.2 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.650 93.7 62.8 -66.2 -10.5 21.1 11.2 25.1 41 58 A b G < S+ 0 0 4 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.518 77.1 134.2 -86.4 -5.7 23.2 12.8 27.9 42 59 A Y < + 0 0 136 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.0 -0.126 21.0 148.2 -53.2 137.6 20.7 11.7 30.6 43 60 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.964 45.2-114.0-158.4 153.7 22.2 10.1 33.6 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.670 96.3 37.7 -88.6 160.2 21.2 9.9 37.4 45 62 A G S S+ 0 0 69 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.876 78.1 171.7 70.6 34.0 23.5 11.7 39.9 46 63 A I - 0 0 5 -3,-0.3 21,-2.5 -26,-0.1 2,-0.5 -0.622 18.9-164.1 -81.3 123.6 24.3 14.8 37.7 47 64 A Q E -KN 19 66C 55 -28,-2.8 -28,-2.7 -2,-0.5 2,-0.5 -0.934 16.1-139.1-103.7 131.8 26.2 17.6 39.2 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.774 12.5-158.6 -92.0 125.4 26.1 20.9 37.2 49 66 A R E -KN 17 64C 53 -32,-2.7 -32,-2.8 -2,-0.5 3,-0.3 -0.939 14.3-179.6-113.3 112.6 29.4 22.8 37.0 50 67 A L E + N 0 63C 2 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.694 59.5 32.4-103.2 160.9 29.0 26.5 36.1 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.754 84.8 156.6 66.0 20.7 31.7 29.2 35.6 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.550 22.8 147.5 -83.2 136.0 34.2 26.6 34.2 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.289 81.6 32.1-117.3 -79.9 37.2 27.1 32.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.620 72.4-162.9 -71.8 112.1 39.8 24.5 33.0 55 73 A I T 3 S+ 0 0 32 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.641 87.9 50.7 -73.7 -10.4 37.6 21.6 34.1 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.445 106.7 60.7-101.7 -2.5 40.5 19.9 36.0 57 75 A V S < S- 0 0 76 -3,-0.8 2,-0.8 76,-0.2 -4,-0.3 -0.987 75.8-133.5-129.6 132.8 41.5 23.1 37.9 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.811 32.8 171.0 -81.0 114.2 39.6 25.1 40.4 59 77 A E - 0 0 96 -2,-0.8 -1,-0.1 -5,-0.2 -7,-0.0 0.399 52.1 -95.1-109.7 -6.7 40.2 28.6 39.2 60 78 A G S S+ 0 0 61 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.167 105.2 75.8 112.1 -21.4 37.9 30.8 41.3 61 79 A N + 0 0 59 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.471 66.6 120.7-105.6 9.8 34.7 31.3 39.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.262 38.9-170.3 -77.7 149.0 33.0 27.9 39.6 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-2.9 2,-0.1 2,-0.6 -0.976 8.2-163.4-131.4 117.3 29.6 27.1 41.0 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 17.8 170.1-106.3 113.1 29.0 23.4 41.5 65 83 A I E -N 48 0C 16 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.988 27.7-128.9-127.7 128.0 25.2 22.7 42.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.385 25.3-111.7 -76.2 148.8 23.6 19.3 42.0 67 85 A A E -O 90 0C 17 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.583 25.4-174.6 -74.9 135.4 20.5 18.5 39.8 68 86 A S E S+ 0 0 60 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.734 72.2 10.5 -98.1 -24.5 17.2 17.9 41.7 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.993 59.2-162.5-152.2 139.2 15.1 16.9 38.7 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.979 6.4-164.8-123.7 140.5 15.8 15.9 35.1 71 89 A I E -O 87 0C 33 16,-3.1 16,-2.5 -2,-0.4 2,-0.3 -0.937 4.7-158.2-130.1 108.7 13.1 15.8 32.4 72 90 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.661 42.4 -89.3 -84.5 140.4 13.7 14.1 29.1 73 91 A H > - 0 0 21 12,-2.2 3,-2.1 -2,-0.3 -1,-0.1 -0.249 36.0-124.0 -46.8 134.2 11.5 15.2 26.2 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.793 108.7 41.9 -60.0 -27.1 8.3 13.1 26.2 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.091 77.9 144.4-104.9 21.2 9.0 12.0 22.6 76 94 A Y < - 0 0 59 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.412 31.0-164.2 -59.9 126.2 12.7 11.3 22.7 77 95 A N B >> -P 82 0D 67 5,-2.3 4,-2.3 -2,-0.1 5,-0.5 -0.912 7.4-165.4-113.5 108.2 13.6 8.4 20.5 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.723 85.4 58.3 -68.8 -16.7 17.1 7.1 21.3 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.927 122.2 21.5 -78.4 -41.4 17.3 5.1 18.1 80 98 A T T 45S- 0 0 73 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.582 98.1-129.3 -97.7 -9.3 16.8 8.0 15.7 81 99 A L T ><5 + 0 0 36 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.590 51.3 158.1 62.4 15.4 17.9 10.8 18.1 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.3 1,-0.2 -1,-0.3 -0.491 65.4 14.4 -67.3 134.9 14.6 12.7 17.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-1.9 -7,-0.2 -10,-0.3 0.897 78.7 177.1 65.2 46.4 13.7 15.1 20.1 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.508 33.4 114.1 -82.8 80.0 17.1 15.0 21.7 85 103 A I - 0 0 0 -2,-1.9 -12,-2.2 -47,-0.3 2,-0.3 -0.998 37.1-179.5-153.3 141.8 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.0 -49,-2.4 -2,-0.3 2,-0.4 -0.997 17.1-141.2-143.6 146.0 16.4 17.4 28.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.1 -2,-0.3 2,-0.5 -0.900 12.9-164.7-109.0 139.0 15.8 19.9 31.0 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.5 -0.972 7.7-151.1-123.6 122.0 17.7 19.8 34.3 89 107 A K E -MO 34 69C 40 -20,-2.9 -21,-3.1 -2,-0.5 -20,-1.2 -0.804 17.8-130.7 -93.0 131.3 16.5 21.7 37.3 90 108 A L E - O 0 67C 1 -57,-3.1 -23,-0.2 -2,-0.5 -24,-0.1 -0.488 13.1-126.9 -76.0 145.2 19.2 22.8 39.8 91 109 A K S S+ 0 0 125 -25,-2.6 2,-0.3 -2,-0.2 -1,-0.1 0.864 96.7 10.7 -58.0 -34.9 18.7 22.1 43.6 92 110 A S S S- 0 0 67 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.951 97.0 -87.0-140.1 157.1 19.3 25.9 44.2 93 111 A A - 0 0 55 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.413 42.5-116.4 -69.5 135.0 19.5 28.9 42.0 94 112 A A - 0 0 9 -62,-3.4 2,-0.8 -2,-0.2 -1,-0.1 -0.356 24.5-115.9 -61.9 149.1 22.8 29.8 40.4 95 113 A S - 0 0 80 -2,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.799 36.2-146.0 -86.8 106.3 24.4 33.2 41.4 96 114 A L + 0 0 84 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.588 35.7 135.5 -89.4 133.6 24.5 35.2 38.1 97 115 A N B > S-Q 100 0E 73 3,-2.7 3,-0.7 -2,-0.3 0, 0.0 -0.825 70.8 -63.5-150.9-170.3 27.2 37.6 37.2 98 116 A S T 3 S+ 0 0 96 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.826 135.0 40.1 -57.2 -27.8 29.4 38.5 34.0 99 117 A R T 3 S+ 0 0 110 1,-0.2 2,-0.4 -87,-0.1 -1,-0.2 0.584 118.0 45.7 -97.9 -19.5 31.0 35.0 34.1 100 118 A V B < S+Q 97 0E 2 -3,-0.7 -3,-2.7 -50,-0.1 2,-0.3 -0.963 78.2 148.3-126.9 108.7 27.9 33.0 34.9 101 119 A A - 0 0 30 -88,-1.5 -72,-0.3 -2,-0.4 2,-0.1 -0.988 42.5-118.5-141.2 146.0 25.0 34.2 32.7 102 120 A S - 0 0 53 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.453 25.7-130.6 -82.7 157.8 21.9 32.6 31.1 103 121 A I - 0 0 17 -74,-2.7 2,-0.2 -89,-0.2 83,-0.1 -0.883 24.6-108.6-108.7 143.2 21.3 32.5 27.4 104 122 A S B -c 186 0B 62 81,-0.7 83,-3.0 -2,-0.4 -73,-0.1 -0.505 22.4-126.1 -69.2 143.5 18.1 33.5 25.7 105 123 A L - 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