==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-01 1GI5 . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,C.LUONG,M.RICE,R.L.MACKMAN,P.A.SPRENGELER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9108.0 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 . 15 6.7 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 . 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 . 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 3 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.4 52.7 -3.7 24.9 2 17 A V B +A 171 0A 6 169,-2.8 169,-2.1 1,-0.2 123,-0.1 -0.854 360.0 8.5-101.6 136.4 52.6 -7.4 23.8 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.663 101.8 122.9 71.3 20.0 54.8 -8.3 20.7 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.090 54.9-122.8 -96.6-164.3 56.5 -4.9 20.6 5 20 A Y E -B 137 0B 92 132,-2.6 132,-2.6 -3,-0.1 2,-0.3 -0.934 34.8 -83.1-138.7 163.4 60.2 -3.9 20.8 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.517 36.4-149.8 -67.2 127.1 62.3 -1.7 23.1 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.3 129,-0.1 0.884 35.6-115.1 -68.1 -38.8 61.9 1.9 21.8 8 23 A G > - 0 0 29 127,-0.5 3,-1.5 4,-0.0 4,-0.3 0.054 47.9 -58.4 110.9 139.7 65.3 3.0 22.8 9 24 A A T 3 S- 0 0 52 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.211 117.5 -6.7 -56.4 133.6 65.7 5.8 25.5 10 25 A N T 3 S+ 0 0 38 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.651 91.4 122.5 56.6 24.2 64.1 9.1 24.7 11 26 A T S < S+ 0 0 81 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.641 76.3 49.0 -85.8 -14.2 63.1 8.1 21.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.689 74.2 174.2-120.3 75.9 59.4 8.8 21.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.661 71.8 55.9 -68.0 -16.6 59.9 12.3 23.5 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.499 81.4 109.7 -91.6 -6.4 56.1 13.1 24.0 15 30 A Q E < -J 28 0C 6 -3,-1.8 37,-0.4 13,-0.2 36,-0.4 -0.504 47.7-175.0 -71.0 130.1 55.5 9.9 26.0 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.0 -2,-0.3 2,-0.4 -0.866 20.3-137.8-121.7 160.1 54.8 10.6 29.8 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.949 15.1-142.7-113.0 135.2 54.2 8.1 32.7 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.5 -2,-0.4 7,-1.2 -0.903 28.0-171.4-101.1 123.7 51.4 9.0 35.0 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.7 -2,-0.6 4,-0.2 -0.970 32.9 169.2-124.1 134.1 52.7 8.0 38.5 20 37 A S S S- 0 0 36 2,-1.7 3,-0.1 -2,-0.4 26,-0.1 -0.348 96.9 -48.4-131.7 45.3 50.9 7.9 41.9 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.464 139.4 34.5 98.8 2.3 53.8 6.0 43.6 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-1.7 0, 0.0 2,-0.4 -0.915 103.4 -84.2-173.6 156.4 54.0 3.4 40.7 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.575 54.0 158.3 -72.3 125.3 53.4 3.7 36.9 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 -2,-0.4 151,-0.2 0.681 57.5 5.1-121.8 -29.6 49.6 3.4 36.3 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-2.8 151,-0.1 -1,-0.4 -0.966 61.0-122.7-150.9 168.0 49.0 5.0 32.9 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.455 28.7 176.3-102.0 176.8 50.6 6.6 29.8 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.2 -2,-0.2 2,-0.4 -0.977 24.1-118.6-169.7 171.4 49.9 10.1 28.5 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.988 18.1-131.2-130.4 133.0 51.1 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.1 -2,-0.4 6,-0.2 -0.677 27.8 172.2 -77.6 121.0 52.7 15.9 26.1 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.522 69.0 -8.2-110.2 -9.2 50.9 18.4 23.8 31 48 A N E > S- L 0 34C 46 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.944 92.0 -78.7-166.5 174.5 52.5 21.7 25.0 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.664 127.4 29.3 -65.4 -10.2 54.9 22.6 27.9 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.426 108.8 69.1-127.3 3.8 52.0 22.6 30.5 34 51 A W E < -LM 31 89C 11 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.1 -0.975 48.8-173.2-130.5 143.2 49.4 20.2 29.2 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.5 -2,-0.4 2,-0.4 -0.913 13.9-146.6-123.0 150.6 49.2 16.4 28.9 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.956 31.6 148.4-118.6 137.0 46.4 14.3 27.3 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.3 -0.768 50.6 -70.2-147.9-168.0 45.6 10.9 28.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.707 34.2-127.5 -97.0 146.8 42.5 8.7 28.9 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.823 108.8 63.3 -62.4 -31.4 39.6 9.6 31.4 40 57 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.469 93.4 64.9 -75.5 3.6 39.7 6.1 32.9 41 58 A b G < S+ 0 0 2 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.396 77.9 126.9-100.5 0.6 43.3 7.0 34.1 42 59 A Y < + 0 0 123 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.0 -0.271 20.2 130.5 -62.9 144.4 41.9 9.7 36.3 43 60 A K - 0 0 56 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.913 54.1-105.5-176.3 165.1 42.8 9.8 40.1 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.628 96.0 54.8 -99.0 166.7 44.1 12.5 42.3 45 62 A G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.952 72.7 163.9 77.7 46.7 47.8 12.5 43.4 46 63 A I - 0 0 10 21,-0.2 21,-2.3 -3,-0.2 2,-0.5 -0.872 22.0-170.9-105.4 126.5 49.2 12.3 39.9 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.7 -2,-0.5 2,-0.5 -0.944 18.9-141.3-110.6 134.6 52.9 13.1 39.3 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.6 -2,-0.5 2,-0.6 -0.842 12.3-156.8 -99.0 128.1 53.7 13.4 35.5 49 65AA R E -KN 17 64C 48 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.935 12.5-176.2-115.0 116.0 57.0 11.9 34.6 50 66 A L E + N 0 63C 2 13,-2.6 13,-1.6 -2,-0.6 -34,-0.1 -0.623 62.3 29.8-103.0 160.3 58.6 13.2 31.4 51 69 A G S S+ 0 0 6 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.1 0.690 85.2 154.0 62.4 22.6 61.9 12.1 29.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.470 21.4 149.0 -84.6 154.8 61.5 8.6 31.1 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.8 4,-0.2 82,-0.4 0.272 80.0 33.3-141.6 -72.5 62.8 5.4 29.7 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.9 3,-0.2 -1,-0.4 -0.835 73.1-162.6 -90.7 110.5 63.5 3.0 32.6 55 73 A I T 3 S+ 0 0 25 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.524 84.1 54.6 -74.2 -3.4 60.7 4.0 35.0 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.552 105.7 52.2-105.8 -7.8 62.5 2.3 38.0 57 75 A V S < S- 0 0 71 -3,-0.9 2,-0.7 76,-0.1 -4,-0.2 -0.977 76.3-131.3-125.5 139.5 65.8 4.1 37.7 58 76 A V + 0 0 111 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.832 38.3 162.5 -89.5 118.1 66.6 7.9 37.5 59 77 A E - 0 0 108 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.465 55.6 -87.4-112.6 -10.4 69.1 7.9 34.5 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.182 103.0 68.3 112.9 152.8 68.9 11.6 33.6 61 79 A N S S+ 0 0 59 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.237 70.8 130.7 86.2 -6.3 66.5 13.6 31.3 62 80 A E - 0 0 32 -11,-0.1 2,-0.4 -13,-0.0 -1,-0.3 -0.517 36.8-172.4 -80.4 145.1 63.6 13.0 33.7 63 81 A Q E -N 50 0C 35 -13,-1.6 -13,-2.6 -2,-0.2 2,-0.6 -0.990 7.3-160.9-132.9 124.1 61.4 15.9 34.8 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.965 18.4 171.9-110.0 117.0 58.8 15.0 37.6 65 83 A I E -N 48 0C 21 -17,-2.6 -17,-3.3 -2,-0.6 2,-0.1 -0.983 29.0-125.1-127.2 136.8 56.0 17.7 37.6 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.2 2,-0.4 -0.488 28.8-110.0 -79.7 152.3 52.8 17.4 39.7 67 85 A A E -O 90 0C 24 -21,-2.3 23,-0.3 23,-0.2 -21,-0.2 -0.665 21.5-162.8 -77.9 131.5 49.5 17.7 38.0 68 86 A S E S- 0 0 74 21,-2.8 2,-0.3 -2,-0.4 22,-0.2 0.877 74.5 -14.9 -84.1 -40.9 47.8 21.1 38.9 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.988 56.9-143.7-154.4 159.2 44.3 19.8 37.7 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.3 -0.977 12.5-158.5-124.0 138.4 42.9 17.0 35.6 71 89 A I E -O 87 0C 31 16,-3.3 16,-1.9 -2,-0.4 2,-0.2 -0.917 6.0-161.6-121.5 102.8 39.9 17.7 33.3 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.590 40.0 -93.1 -79.7 147.3 38.0 14.5 32.4 73 91 A H > - 0 0 23 12,-1.9 3,-1.8 10,-0.3 -1,-0.1 -0.435 33.6-128.6 -58.8 132.7 35.7 15.1 29.4 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.733 107.1 48.8 -56.9 -27.0 32.2 16.0 30.8 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.178 77.6 135.2-101.4 18.4 30.6 13.3 28.6 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.5 7,-0.1 7,-0.2 -0.457 38.5-161.3 -63.5 138.7 32.9 10.5 29.6 77 95 A N B >> -P 82 0D 67 5,-1.9 4,-2.4 -2,-0.1 5,-0.6 -0.974 9.0-158.4-124.1 113.3 30.9 7.3 30.4 78 96 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.579 88.4 57.1 -72.4 -4.3 32.8 4.8 32.4 79 97 A N T 45S+ 0 0 146 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.827 123.7 20.5 -93.9 -33.8 30.6 1.9 31.3 80 98 A T T 45S- 0 0 67 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.708 95.8-132.3-102.6 -24.5 31.1 2.3 27.5 81 99 A L T ><5 + 0 0 30 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.642 48.1 160.8 78.2 24.5 34.3 4.3 27.8 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.9 1,-0.2 -1,-0.3 -0.590 65.4 17.7 -75.2 142.4 32.9 6.7 25.3 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.3 -2,-0.2 -10,-0.3 0.858 80.1 174.2 63.2 45.2 34.8 10.1 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.380 31.3 115.6 -77.8 66.6 37.7 8.5 27.2 85 103 A I - 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