==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1L . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 64.1 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 . 72 32.3 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 . 20 9.0 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 . 16 7.2 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 0 1 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 3 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 0.000 360.0 360.0 360.0 121.5 -3.7 8.9 10.8 2 17 A V B +A 171 0A 6 169,-3.4 169,-2.4 1,-0.2 123,-0.1 -0.858 360.0 4.1 -99.1 132.5 -7.3 9.9 11.2 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.578 104.5 120.6 71.6 9.5 -8.5 12.9 9.2 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.2 134,-0.2 -0.045 55.3-120.2 -88.8-158.9 -5.1 13.2 7.5 5 20 A Y E -B 137 0B 97 132,-2.7 132,-3.3 -3,-0.1 2,-0.3 -0.934 33.6 -82.9-142.1 159.9 -4.1 13.1 3.8 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.509 37.6-151.9 -65.9 123.5 -1.9 11.0 1.5 7 22 A a - 0 0 19 128,-2.6 -1,-0.2 -2,-0.3 129,-0.1 0.954 34.6-113.5 -62.1 -55.0 1.6 12.4 1.9 8 23 A G > - 0 0 25 127,-0.4 3,-2.1 4,-0.0 4,-0.3 -0.126 48.8 -50.7 121.6 138.6 3.0 11.5 -1.5 9 24 A A T 3 S- 0 0 64 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.095 119.2 -17.8 -44.4 118.4 5.8 9.1 -2.4 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.687 89.1 132.8 55.3 29.5 8.8 9.8 -0.3 11 26 A T S < S+ 0 0 85 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.625 76.1 47.4 -80.6 -14.0 7.8 13.3 0.7 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.716 73.3 173.7-125.8 74.6 8.7 12.5 4.3 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.515 73.5 57.5 -61.5 -13.0 12.2 10.8 3.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.0 88,-0.1 2,-0.3 0.436 78.8 115.7 -99.0 -2.0 13.0 10.5 7.5 15 30 A Q E < -J 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.518 49.1-164.7 -72.2 129.8 9.8 8.4 8.1 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.892 13.6-149.5-119.5 144.8 10.7 4.9 9.3 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.6 -2,-0.3 2,-0.6 -0.974 11.9-146.8-113.0 123.7 8.5 1.8 9.5 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.1 -2,-0.5 7,-1.0 -0.840 26.5-170.5 -90.8 122.4 9.3 -0.7 12.2 19 34 A N E +JK 23 47C 16 28,-3.2 28,-2.7 -2,-0.6 4,-0.2 -0.937 32.7 164.8-123.4 142.1 8.5 -4.1 10.8 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.426 95.7 -46.0-145.3 58.8 8.3 -7.6 12.3 21 38 A G S S+ 0 0 77 26,-0.0 2,-0.3 1,-0.0 -2,-0.1 0.428 140.5 27.3 87.8 -0.9 6.4 -9.5 9.6 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.3 0, 0.0 2,-0.5 -0.915 100.0 -84.2-178.0 159.3 4.1 -6.5 9.6 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.687 48.6 157.4 -79.2 126.5 4.2 -2.8 10.4 24 41 A F E + 0 0 28 -6,-2.1 2,-0.3 -2,-0.5 151,-0.3 0.494 60.6 2.4-126.7 -9.8 3.7 -2.1 14.1 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.985 59.6-127.3-168.0 165.7 5.3 1.3 14.7 26 43 A G E +J 17 0C 0 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.535 24.1 173.5-112.2-176.5 6.9 4.3 13.0 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.956 26.0-110.1-172.9 180.0 10.1 6.1 13.8 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.9 -2,-0.3 2,-0.6 -0.995 19.3-129.6-134.7 137.9 12.4 8.8 12.5 29 46 A L E + L 0 35C 0 -15,-2.0 74,-2.3 -2,-0.4 6,-0.2 -0.774 26.7 174.0 -84.0 116.6 15.9 8.6 11.0 30 47 A I E S- 0 0 19 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.601 70.4 -8.7 -99.1 -14.6 18.1 11.1 12.9 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.939 91.2 -76.8-166.9 169.7 21.3 10.0 11.2 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.624 128.1 24.5 -53.7 -17.1 22.5 7.2 8.8 33 50 A Q T 3 S+ 0 0 65 60,-0.2 57,-3.2 1,-0.1 2,-0.4 0.461 109.7 74.8-129.5 -0.2 22.6 4.7 11.6 34 51 A W E < -LM 31 89C 12 -3,-0.8 -4,-2.6 55,-0.2 -3,-1.2 -0.955 49.3-171.4-126.9 133.4 20.2 5.8 14.3 35 52 A V E -LM 29 88C 0 53,-3.1 53,-3.4 -2,-0.4 2,-0.5 -0.903 13.0-148.4-118.3 138.3 16.4 5.9 14.5 36 53 A V E +LM 28 87C 1 -8,-2.9 -8,-2.2 -2,-0.4 51,-0.2 -0.945 33.6 149.4-109.1 124.0 14.3 7.5 17.2 37 54 A S E - M 0 86C 0 49,-3.2 49,-2.3 -2,-0.5 2,-0.4 -0.649 48.8 -70.2-135.1-167.0 11.0 5.8 18.0 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.790 30.9-133.0 -98.1 140.7 8.7 5.3 21.0 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.860 106.2 62.5 -57.8 -36.8 9.7 3.2 24.0 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.485 93.5 65.4 -69.6 -1.3 6.3 1.5 24.0 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.483 73.7 134.2 -96.8 -3.9 7.2 0.2 20.5 42 59 A Y < + 0 0 131 -3,-2.2 2,-0.3 -4,-0.2 -3,-0.0 -0.187 21.2 143.3 -52.8 133.1 10.0 -1.9 21.9 43 60 A K - 0 0 50 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.955 46.7-113.0-164.2 154.7 10.1 -5.4 20.5 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.701 94.3 43.5 -94.7 155.1 12.8 -7.9 19.6 45 62 A G S S+ 0 0 67 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.931 77.7 172.6 76.9 47.9 13.3 -8.9 15.9 46 63 A I - 0 0 11 -3,-0.2 21,-2.4 21,-0.2 2,-0.5 -0.783 19.6-168.5 -97.0 126.7 12.9 -5.4 14.5 47 64 A Q E -KN 19 66C 49 -28,-2.7 -28,-3.2 -2,-0.5 2,-0.5 -0.960 15.5-144.6-111.1 127.5 13.6 -4.7 10.9 48 65 A V E -KN 18 65C 0 17,-3.5 17,-2.7 -2,-0.5 2,-0.6 -0.832 12.0-159.0 -93.0 127.6 13.7 -1.0 10.1 49 66 A R E -KN 17 64C 48 -32,-2.6 -32,-1.8 -2,-0.5 3,-0.3 -0.946 10.6-173.9-115.4 113.8 12.3 -0.1 6.6 50 67 A L E + N 0 63C 0 13,-2.6 13,-1.3 -2,-0.6 -34,-0.1 -0.576 61.8 29.2 -98.1 163.1 13.4 3.2 5.0 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.760 83.8 155.8 59.5 29.4 12.2 4.9 1.8 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.570 21.3 149.2 -92.9 146.4 8.7 3.4 2.2 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.7 4,-0.2 -1,-0.2 0.293 80.7 33.1-128.3 -80.0 5.4 4.7 0.7 54 72 A N S S- 0 0 26 80,-0.2 -1,-0.5 1,-0.2 3,-0.4 -0.726 73.2-162.5 -81.5 114.3 3.2 1.7 0.1 55 73 A I S S+ 0 0 33 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.622 84.7 52.0 -76.5 -9.2 4.3 -0.7 2.9 56 74 A N S S+ 0 0 117 77,-0.3 2,-0.4 1,-0.0 -1,-0.2 0.608 104.2 58.5-101.6 -12.6 2.8 -3.7 1.1 57 75 A V S S- 0 0 75 -3,-0.4 2,-0.9 76,-0.2 -4,-0.2 -0.911 75.0-130.5-120.8 140.7 4.4 -3.4 -2.3 58 76 A V + 0 0 119 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.832 40.3 157.6 -88.7 108.5 8.1 -3.3 -3.3 59 77 A E - 0 0 103 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.567 55.5 -96.1-105.2 -18.1 8.2 -0.2 -5.6 60 78 A G S S+ 0 0 31 -3,-0.2 -1,-0.3 -9,-0.0 3,-0.1 -0.335 97.4 73.1 114.5 159.9 11.9 0.6 -5.3 61 79 A N + 0 0 76 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.273 69.7 130.5 82.2 -5.7 13.8 3.0 -3.1 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.387 38.6-166.8 -79.0 158.1 13.3 0.8 0.0 63 81 A Q E -N 50 0C 39 -13,-1.3 -13,-2.6 -3,-0.1 2,-0.6 -0.959 4.4-160.9-145.7 115.0 16.1 -0.2 2.4 64 82 A F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.924 19.0 170.0-102.0 115.5 15.5 -3.0 4.9 65 83 A I E -N 48 0C 16 -17,-2.7 -17,-3.5 -2,-0.6 2,-0.2 -0.984 29.5-124.9-128.2 137.9 18.0 -2.9 7.7 66 84 A S E -N 47 0C 56 -2,-0.4 25,-2.7 -19,-0.2 2,-0.5 -0.507 27.3-112.6 -79.0 150.1 17.9 -4.9 10.9 67 85 A A E -O 90 0C 21 -21,-2.4 23,-0.2 23,-0.2 -21,-0.2 -0.712 23.0-167.0 -82.0 126.7 18.1 -3.2 14.3 68 86 A S E S- 0 0 49 21,-3.1 2,-0.3 -2,-0.5 -1,-0.2 0.785 73.6 -2.6 -82.7 -31.5 21.4 -4.1 16.0 69 87 A K E -O 89 0C 82 20,-1.1 20,-2.9 -3,-0.1 2,-0.5 -0.961 56.3-150.6-162.6 142.2 20.2 -2.7 19.3 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.979 12.6-162.0-117.2 119.6 17.2 -0.9 20.8 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.0 -2,-0.5 2,-0.3 -0.846 5.6-163.5-107.5 94.8 17.9 1.4 23.7 72 90 A V E -O 86 0C 44 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.589 38.9 -95.2 -74.7 136.7 14.7 2.1 25.7 73 91 A H > - 0 0 25 12,-2.2 3,-2.1 -2,-0.3 -1,-0.1 -0.371 32.7-128.9 -56.6 126.9 15.1 5.1 27.9 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.677 104.5 46.9 -49.0 -31.6 16.0 3.9 31.5 75 93 A S T 3 S+ 0 0 79 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.113 79.0 136.6-102.7 20.4 13.3 5.9 33.3 76 94 A Y < - 0 0 55 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.515 41.4-154.2 -69.2 131.5 10.5 4.9 30.9 77 95 A N B >> -P 82 0D 68 5,-1.8 4,-2.0 -2,-0.2 5,-0.5 -0.946 6.0-156.5-111.6 117.5 7.3 4.1 32.8 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.691 90.7 50.0 -66.1 -20.4 5.0 1.7 30.9 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.897 123.0 26.7 -85.1 -44.9 1.9 2.8 32.8 80 98 A T T 45S- 0 0 67 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.586 95.3-135.4 -91.5 -15.2 2.2 6.6 32.5 81 99 A L T ><5 + 0 0 30 -4,-2.0 3,-0.8 1,-0.2 2,-0.2 0.768 48.1 158.7 63.0 25.6 4.2 6.4 29.2 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-1.8 1,-0.3 -1,-0.2 -0.567 64.2 19.7 -77.1 145.8 6.5 9.1 30.7 83 101 A N T 3 S+ 0 0 18 1,-0.2 2,-2.3 -2,-0.2 -1,-0.3 0.892 81.8 176.1 60.6 39.2 9.9 9.1 29.0 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.465 30.6 119.9 -78.2 74.8 8.4 7.3 26.1 85 103 A I - 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