==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O2S . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9131.0 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 . 17 7.6 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 . 13 5.8 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 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 132.5 53.1 -3.7 25.2 2 17 A V B +A 171 0A 10 169,-2.6 169,-2.0 1,-0.2 123,-0.1 -0.929 360.0 12.4-110.9 135.4 53.0 -7.4 24.0 3 18 A G S S+ 0 0 47 121,-0.4 -1,-0.2 -2,-0.4 167,-0.1 0.615 102.7 121.9 76.0 14.0 55.0 -8.3 20.9 4 19 A G - 0 0 33 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.138 54.3-124.0 -97.8-166.0 56.9 -5.0 20.9 5 20 A Y E -B 137 0B 93 132,-2.3 132,-2.9 -3,-0.1 2,-0.4 -0.881 35.3 -83.9-134.8 167.5 60.6 -3.9 21.1 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.602 35.5-149.3 -74.2 124.0 62.7 -1.7 23.3 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.848 35.7-113.7 -65.4 -36.9 62.3 1.8 22.1 8 23 A G > - 0 0 28 127,-0.5 3,-1.6 4,-0.0 4,-0.3 0.138 49.3 -59.5 108.2 134.7 65.8 3.0 23.1 9 24 A A T 3 S- 0 0 55 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.206 118.3 -7.5 -52.6 134.9 66.2 5.7 25.8 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.2 2,-0.2 43,-0.1 0.661 90.6 124.3 50.0 30.5 64.4 9.0 25.0 11 26 A T S < S+ 0 0 81 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.602 77.7 49.2 -87.2 -13.1 63.5 8.0 21.4 12 27 A V S > S+ 0 0 10 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.727 73.9 173.7-121.8 76.4 59.8 8.8 22.3 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.645 71.6 56.7 -68.4 -14.4 60.3 12.3 23.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.496 81.0 109.6 -93.7 -5.8 56.6 13.0 24.4 15 30 A Q E < -J 28 0C 7 -3,-1.5 36,-0.4 13,-0.2 37,-0.4 -0.502 46.5-175.5 -72.2 133.0 55.9 9.9 26.5 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.1 -2,-0.2 2,-0.4 -0.868 19.4-140.6-124.7 163.2 55.1 10.5 30.2 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.7 -2,-0.3 2,-0.6 -0.961 15.6-141.3-118.7 136.9 54.6 8.0 33.1 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.1 -2,-0.4 7,-1.0 -0.900 26.9-168.3-101.6 127.6 51.8 9.0 35.6 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.969 32.2 168.2-123.7 134.5 53.1 7.9 39.0 20 37 A S S S- 0 0 37 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.351 96.6 -47.8-132.4 45.2 51.3 7.7 42.5 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.423 140.3 31.8 101.2 -1.6 54.2 5.8 44.2 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.929 102.0 -85.1-172.3 160.3 54.3 3.4 41.2 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.647 50.6 159.0 -77.4 125.7 53.7 3.7 37.4 24 41 A F E + 0 0 29 -6,-2.1 2,-0.3 -2,-0.4 151,-0.3 0.610 58.8 3.5-124.4 -22.4 50.0 3.2 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.8 151,-0.1 -1,-0.4 -0.980 60.4-124.8-157.0 168.6 49.4 4.9 33.3 26 43 A G E +J 17 0C 2 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.452 26.2 176.9-106.6-179.7 51.0 6.6 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.961 25.5-113.0-171.5 174.8 50.3 10.0 28.8 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.990 19.3-131.9-127.7 131.7 51.5 12.4 26.1 29 46 A L E + L 0 35C 0 -15,-2.4 74,-1.9 -2,-0.4 6,-0.2 -0.694 28.8 171.8 -79.6 123.0 53.1 15.8 26.6 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.626 69.2 -5.2-108.6 -18.0 51.3 18.3 24.2 31 48 A N E > S- L 0 34C 46 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.929 91.6 -82.5-157.5 176.3 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.649 126.6 30.1 -68.6 -8.5 55.2 22.4 28.3 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.405 110.7 69.2-126.2 2.4 52.4 22.5 30.9 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.3 -0.972 48.6-175.4-130.6 141.7 49.8 20.1 29.6 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.4 -2,-0.4 2,-0.4 -0.941 15.4-145.7-124.8 147.7 49.6 16.3 29.2 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.2 -0.953 33.3 146.9-116.0 136.3 46.8 14.3 27.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.710 50.9 -67.3-145.7-165.0 46.0 10.8 29.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.731 31.8-129.6 -98.3 146.1 42.8 8.7 29.5 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.809 108.3 64.0 -64.1 -29.0 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 62 1,-0.2 -1,-0.3 41,-0.1 137,-0.0 0.614 93.0 63.7 -73.1 -5.0 40.0 6.1 33.3 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.2 -15,-0.0 -2,-0.2 0.416 77.8 128.9 -93.4 1.1 43.6 6.9 34.6 42 59 A Y < + 0 0 121 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.0 -0.287 20.0 133.1 -61.7 140.7 42.3 9.6 36.9 43 60 A K - 0 0 54 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.922 53.6-103.5-171.3 166.8 43.2 9.7 40.6 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.615 96.4 49.3 -98.2 165.1 44.4 12.4 42.9 45 62 A G S S+ 0 0 66 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.975 72.6 165.4 75.4 52.2 48.1 12.5 43.9 46 63 A I - 0 0 10 21,-0.2 21,-2.1 -3,-0.2 2,-0.5 -0.881 21.4-169.4-107.7 135.2 49.6 12.2 40.4 47 64 A Q E -KN 19 66C 51 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.5 -0.979 18.2-142.2-117.9 129.9 53.2 13.0 39.8 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.4 -2,-0.5 2,-0.6 -0.804 11.3-156.6 -94.6 131.8 54.0 13.3 36.0 49 65AA R E -KN 17 64C 48 -32,-2.7 -32,-1.8 -2,-0.5 3,-0.3 -0.942 12.5-175.8-117.9 115.7 57.5 11.8 35.1 50 66 A L E + N 0 63C 2 13,-2.8 13,-2.1 -2,-0.6 -34,-0.1 -0.660 62.5 30.7-103.9 158.9 59.0 13.1 31.9 51 69 A G S S+ 0 0 7 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.708 85.3 153.4 64.4 26.2 62.3 12.0 30.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.492 21.4 149.0 -87.1 154.3 61.9 8.5 31.5 53 71 A D S S+ 0 0 17 1,-0.3 2,-0.8 4,-0.2 82,-0.5 0.279 79.5 34.3-142.8 -69.7 63.2 5.3 30.1 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.9 3,-0.2 -1,-0.3 -0.850 72.8-163.2 -92.9 111.4 63.9 2.9 33.0 55 73 A I T 3 S+ 0 0 26 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.593 84.3 53.2 -74.1 -8.1 61.1 3.8 35.5 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.513 106.3 55.2-103.1 -3.7 62.8 2.1 38.4 57 75 A V S < S- 0 0 68 -3,-0.9 2,-0.5 76,-0.2 -4,-0.2 -0.988 73.7-134.4-125.7 135.8 66.3 3.9 38.1 58 76 A V + 0 0 115 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.793 39.0 158.5 -85.9 129.3 67.1 7.7 38.1 59 77 A E - 0 0 114 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.399 57.6 -83.6-128.2 -7.7 69.7 7.8 35.1 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.174 103.6 65.6 112.1 153.7 69.5 11.5 34.1 61 79 A N S S+ 0 0 77 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.183 70.1 131.7 85.0 -9.5 67.0 13.5 31.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.444 36.1-171.6 -75.0 144.0 64.1 12.9 34.2 63 81 A Q E -N 50 0C 37 -13,-2.1 -13,-2.8 -2,-0.1 2,-0.5 -0.996 5.2-164.0-132.1 125.0 61.8 15.7 35.3 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.974 17.4 169.4-112.7 117.6 59.2 14.9 38.0 65 83 A I E -N 48 0C 15 -17,-2.4 -17,-3.0 -2,-0.5 2,-0.1 -0.991 30.6-123.9-130.8 138.0 56.5 17.5 38.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.438 29.4-109.6 -78.8 156.3 53.3 17.3 40.2 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 -21,-0.2 -0.698 21.2-163.1 -83.1 137.2 49.9 17.7 38.5 68 86 A S E S- 0 0 77 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.896 74.8 -10.0 -87.1 -49.1 48.1 21.0 39.4 69 87 A K E -O 89 0C 91 20,-0.9 20,-2.6 -25,-0.0 2,-0.4 -0.982 56.9-147.0-145.9 157.7 44.6 19.8 38.1 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.995 12.6-159.1-125.0 130.6 43.3 16.9 36.0 71 89 A I E -O 87 0C 32 16,-3.0 16,-2.0 -2,-0.4 2,-0.2 -0.921 5.9-162.1-115.0 101.9 40.2 17.7 33.7 72 90 A V E -O 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.591 40.4 -92.1 -79.8 145.1 38.3 14.5 32.8 73 91 A H > - 0 0 24 12,-2.1 3,-1.7 10,-0.3 -1,-0.1 -0.364 33.8-129.8 -56.3 134.9 36.0 15.0 29.8 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.803 107.2 48.5 -59.1 -30.2 32.5 16.1 31.2 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.132 77.8 136.9 -98.4 21.3 30.8 13.3 29.1 76 94 A Y < - 0 0 57 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.534 39.0-159.2 -68.9 131.9 33.1 10.5 30.0 77 95 A N B >> -P 82 0D 63 5,-1.9 4,-2.3 -2,-0.2 5,-0.6 -0.966 6.8-159.8-113.1 112.3 31.1 7.3 30.7 78 96 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.629 88.8 55.1 -71.2 -10.7 33.0 4.8 32.8 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.796 124.0 21.2 -91.8 -31.8 30.8 1.9 31.7 80 98 A T T 45S- 0 0 67 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.643 95.0-133.2-106.8 -17.0 31.3 2.3 27.9 81 99 A L T ><5 + 0 0 32 -4,-2.3 3,-0.7 1,-0.3 2,-0.2 0.714 48.0 159.8 69.4 27.5 34.6 4.3 28.1 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.9 1,-0.3 -1,-0.3 -0.597 65.9 18.7 -76.3 143.0 33.1 6.7 25.6 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.908 80.1 174.5 61.4 47.8 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.467 32.1 114.3 -82.7 73.6 38.0 8.5 27.5 85 103 A I - 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