==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-03 1V2Q . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 0 1 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 133.3 -8.0 8.6 19.8 2 17 T V B +A 171 0A 11 169,-3.3 169,-1.8 1,-0.2 123,-0.1 -0.875 360.0 2.4-105.3 132.4 -10.1 9.2 16.6 3 18 T G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.781 102.9 120.3 70.0 28.1 -11.8 6.4 14.8 4 19 T G - 0 0 35 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.019 55.8-116.0-102.3-152.7 -10.6 3.8 17.2 5 20 T Y E -B 137 0B 99 132,-2.7 132,-4.5 -3,-0.1 2,-0.4 -0.965 34.0 -85.2-148.0 160.2 -12.4 1.3 19.5 6 21 T T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.3 129,-0.1 -0.566 36.2-151.6 -69.9 121.2 -12.7 0.6 23.2 7 22 T a - 0 0 19 128,-1.8 -1,-0.2 -2,-0.4 129,-0.1 0.949 36.7-110.0 -58.3 -56.0 -9.8 -1.5 24.2 8 23 T G > - 0 0 24 127,-0.4 3,-2.4 -3,-0.1 4,-0.3 -0.088 47.7 -57.4 123.6 134.4 -11.3 -3.4 27.1 9 24 T A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.114 118.7 -13.6 -43.9 122.9 -10.6 -3.0 30.8 10 25 T N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.607 90.7 128.8 57.6 19.5 -6.9 -3.6 31.5 11 26 T T S < S+ 0 0 85 -3,-2.4 -1,-0.1 1,-0.3 -2,-0.1 0.516 76.3 49.5 -80.2 -2.5 -6.2 -5.2 28.1 12 27 T V S > S+ 0 0 10 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.648 72.8 172.9-131.7 69.7 -3.2 -2.7 27.7 13 28 T P T 3 S+ 0 0 30 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.610 72.8 56.7 -56.2 -17.9 -1.6 -3.3 31.1 14 29 T Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.477 81.0 106.9 -95.0 -4.9 1.5 -1.1 30.3 15 30 T Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.570 50.7-171.9 -75.5 134.9 -0.5 2.0 29.5 16 31 T V E -J 27 0C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.5 -0.900 19.5-138.7-127.7 158.9 -0.3 4.7 32.2 17 32 T S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.970 13.9-145.5-116.0 125.7 -2.0 8.0 32.8 18 33 T L E -JK 25 48C 0 7,-2.9 6,-1.9 -2,-0.5 7,-1.0 -0.812 25.2-167.8 -90.3 130.6 0.1 10.9 34.0 19 34 T N E +JK 23 47C 21 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.972 32.3 167.2-129.3 134.7 -2.0 13.0 36.3 20 37 T S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.350 96.5 -45.6-134.6 50.4 -1.6 16.5 37.9 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.299 139.7 25.0 100.5 -5.4 -5.1 17.0 39.2 22 39 T Y S S- 0 0 134 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.919 100.8 -80.7-176.2 158.5 -6.4 15.7 35.9 23 40 T H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.585 51.2 154.9 -74.3 128.3 -5.2 13.5 33.0 24 41 T F E + 0 0 32 -6,-1.9 2,-0.3 -2,-0.4 151,-0.2 0.509 59.3 12.4-130.4 -12.1 -2.9 15.4 30.7 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.995 61.2-123.5-162.4 160.8 -0.8 12.7 29.0 26 43 T G E +J 17 0C 1 151,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.471 28.4 178.2 -99.7 175.5 -0.2 9.0 28.4 27 44 T G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.972 23.6-119.7-166.0 173.1 2.9 6.9 29.2 28 45 T S E -JL 15 36C 0 8,-2.2 8,-2.3 -2,-0.3 2,-0.7 -0.993 17.7-134.6-131.2 131.6 4.4 3.5 29.1 29 46 T L E + L 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.741 25.4 173.8 -83.9 116.6 5.6 1.4 32.1 30 47 T I E - 0 0 18 4,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.634 66.7 -10.4 -97.8 -17.6 9.0 -0.1 31.0 31 48 T N E > S- L 0 34C 45 3,-1.2 3,-1.3 70,-0.1 -1,-0.3 -0.967 89.9 -71.5-167.7 170.0 9.8 -1.6 34.4 32 49 T S T 3 S+ 0 0 45 -2,-0.3 62,-3.0 1,-0.3 60,-0.1 0.625 128.9 20.6 -44.9 -18.9 8.6 -1.7 38.1 33 50 T Q T 3 S+ 0 0 56 60,-0.2 57,-2.3 1,-0.1 2,-0.4 0.372 109.4 74.7-137.9 8.6 9.9 1.9 38.6 34 51 T W E < -LM 31 89C 7 -3,-1.3 -4,-2.0 55,-0.2 -3,-1.2 -0.976 46.1-171.9-131.9 140.9 10.2 3.7 35.3 35 52 T V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.935 11.2-150.5-124.5 146.9 7.8 5.3 32.9 36 53 T V E +LM 28 87C 0 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.2 -0.948 28.7 147.8-117.7 139.2 8.5 6.7 29.4 37 54 T S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.761 50.6 -60.9-147.8-165.7 6.5 9.5 27.9 38 55 T A > - 0 0 0 -12,-0.4 3,-2.4 47,-0.3 47,-0.3 -0.729 36.6-130.9 -92.7 139.3 6.9 12.5 25.6 39 56 T A G > S+ 0 0 2 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.804 108.1 61.7 -55.9 -31.8 9.3 15.3 26.5 40 57 T H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.534 91.4 67.5 -75.6 -2.5 6.6 17.9 25.8 41 58 T b G < S+ 0 0 4 -3,-2.4 -1,-0.3 -15,-0.0 -2,-0.2 0.326 74.5 136.8 -93.6 4.9 4.5 16.3 28.5 42 59 T Y < + 0 0 137 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.0 -0.235 18.3 141.6 -56.8 139.9 7.0 17.5 31.1 43 60 T K - 0 0 58 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.913 46.0-112.1-173.4 150.0 5.5 19.1 34.2 44 61 T S S S+ 0 0 92 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.623 93.3 34.8 -93.0 154.6 6.4 19.0 37.9 45 62 T G S S+ 0 0 73 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.911 78.4 170.7 72.0 42.5 4.3 17.3 40.5 46 63 T I - 0 0 6 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.696 21.4-160.1 -89.3 135.4 3.2 14.4 38.3 47 64 T Q E -KN 19 66C 48 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.4 -0.970 14.2-141.2-114.5 125.0 1.4 11.4 39.7 48 65 T V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.5 -0.708 11.9-156.0 -87.9 135.7 1.5 8.3 37.6 49 66 T R E -KN 17 64C 52 -32,-2.7 -32,-2.2 -2,-0.4 3,-0.3 -0.946 13.0-175.6-118.8 115.5 -1.7 6.2 37.5 50 67 T L E + N 0 63C 0 13,-2.7 13,-1.5 -2,-0.5 -34,-0.1 -0.679 60.3 30.3-107.1 158.3 -1.5 2.5 36.7 51 69 T G S S+ 0 0 7 -36,-0.5 10,-0.3 -38,-0.3 -1,-0.2 0.694 85.0 156.8 69.8 20.6 -4.1 -0.2 36.1 52 70 T E + 0 0 13 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.389 23.2 148.5 -81.8 151.8 -6.5 2.4 34.8 53 71 T D S S+ 0 0 16 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.232 81.2 31.2-137.4 -76.6 -9.5 2.0 32.5 54 72 T N S > S- 0 0 29 3,-0.3 3,-1.2 80,-0.2 -1,-0.3 -0.812 73.1-160.6 -88.6 109.3 -12.1 4.6 33.4 55 73 T I T 3 S+ 0 0 32 78,-2.4 -1,-0.1 -2,-0.9 79,-0.1 0.482 87.0 52.6 -71.6 -0.3 -9.9 7.4 34.6 56 74 T N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.473 103.3 59.0-111.1 -4.8 -12.8 9.0 36.5 57 75 T V S < S- 0 0 80 -3,-1.2 2,-0.6 76,-0.2 -3,-0.3 -0.960 78.4-128.4-132.5 120.0 -14.0 6.0 38.5 58 76 T V + 0 0 120 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.475 34.3 172.5 -63.9 110.2 -12.0 4.0 41.1 59 77 T E - 0 0 96 -2,-0.6 -1,-0.2 -5,-0.2 -7,-0.0 0.617 49.5-100.1 -99.8 -15.5 -12.5 0.4 39.8 60 78 T G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.291 104.1 76.4 118.7 -12.9 -10.1 -1.6 41.9 61 79 T N + 0 0 58 -10,-0.3 2,-0.1 38,-0.0 -9,-0.0 0.267 68.1 119.2-113.4 11.3 -7.0 -2.2 39.9 62 80 T E - 0 0 33 -13,-0.0 2,-0.3 2,-0.0 -11,-0.2 -0.350 40.2-169.7 -80.3 158.2 -5.4 1.2 40.2 63 81 T Q E -N 50 0C 40 -13,-1.5 -13,-2.7 -2,-0.1 2,-0.6 -0.942 8.9-159.1-145.0 117.5 -2.1 2.1 41.7 64 82 T F E +N 49 0C 85 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.912 18.1 172.5-105.1 114.8 -1.3 5.8 42.2 65 83 T I E -N 48 0C 12 -17,-2.8 -17,-3.0 -2,-0.6 2,-0.1 -0.978 26.1-132.1-129.9 127.7 2.4 6.6 42.5 66 84 T S E -N 47 0C 51 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.382 26.7-116.4 -71.9 149.1 4.1 10.0 42.7 67 85 T A E -O 90 0C 19 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.578 22.6-171.9 -83.4 148.6 7.1 10.7 40.5 68 86 T S E S+ 0 0 65 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.616 71.7 16.3-112.0 -23.2 10.4 11.3 42.2 69 87 T K E -O 89 0C 81 20,-1.3 20,-3.0 2,-0.0 2,-0.4 -0.980 56.4-162.8-155.6 137.8 12.4 12.4 39.1 70 88 T S E -O 88 0C 39 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.985 8.9-166.8-122.0 130.2 11.7 13.4 35.6 71 89 T I E -O 87 0C 35 16,-3.5 16,-2.8 -2,-0.4 2,-0.2 -0.928 4.6-160.3-123.6 107.3 14.5 13.3 33.0 72 90 T V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.553 40.2 -89.1 -81.0 148.1 13.9 15.1 29.7 73 91 T H > - 0 0 22 12,-1.6 3,-2.1 10,-0.3 -1,-0.1 -0.325 33.6-127.0 -58.4 134.1 16.1 14.1 26.7 74 92 T P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 108.5 41.8 -53.7 -29.8 19.3 16.1 26.7 75 93 T S T 3 S+ 0 0 77 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.127 79.7 145.1-107.0 22.0 18.7 17.1 23.1 76 94 T Y < - 0 0 59 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.392 30.6-164.1 -62.4 129.8 15.0 17.8 23.3 77 95 T N B >> -P 82 0D 70 5,-2.1 4,-2.2 -2,-0.1 5,-0.7 -0.942 7.7-166.1-120.1 107.4 14.0 20.7 21.0 78 96 T S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.688 84.6 58.2 -67.8 -19.9 10.6 22.1 21.8 79 97 T N T 45S+ 0 0 156 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.926 125.8 17.5 -76.2 -44.2 10.3 24.0 18.5 80 98 T T T 45S- 0 0 78 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.501 97.8-130.5-103.9 -6.7 10.7 21.0 16.2 81 99 T L T ><5 + 0 0 29 -4,-2.2 3,-0.8 1,-0.2 2,-0.2 0.718 45.9 165.1 62.2 24.3 9.9 18.4 18.9 82 100 T N B 3 < +P 77 0D 36 -5,-0.7 -5,-2.1 1,-0.3 -1,-0.2 -0.535 66.9 15.9 -71.4 137.9 13.0 16.5 17.9 83 101 T N T 3 S+ 0 0 16 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.914 80.2 179.7 64.2 46.2 13.9 13.9 20.6 84 102 T D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.510 34.5 114.9 -80.9 77.7 10.5 14.1 22.1 85 103 T I - 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