==== 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 1O32 . 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) . 9103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 14 6.3 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 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 . 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,-0.3 0.000 360.0 360.0 360.0 132.3 53.0 -3.8 25.1 2 17 A V B +A 171 0A 10 169,-2.6 169,-2.1 1,-0.2 123,-0.1 -0.931 360.0 10.7-110.7 134.6 52.9 -7.4 23.9 3 18 A G S S+ 0 0 46 121,-0.4 -1,-0.2 -2,-0.4 167,-0.1 0.646 102.7 122.5 75.1 16.7 55.0 -8.3 20.8 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.171 54.1-125.6 -98.5-168.1 56.8 -4.9 20.8 5 20 A Y E -B 137 0B 96 132,-2.4 132,-2.9 -3,-0.1 2,-0.5 -0.858 35.3 -82.1-134.4 170.3 60.5 -4.0 21.1 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.638 36.8-150.1 -75.9 121.2 62.6 -1.7 23.3 7 22 A a - 0 0 15 128,-2.0 -1,-0.1 -2,-0.5 129,-0.1 0.825 35.2-111.7 -64.5 -35.9 62.2 1.8 22.0 8 23 A G > - 0 0 28 127,-0.4 3,-1.7 4,-0.0 4,-0.3 0.166 48.7 -62.4 109.8 132.2 65.7 3.1 23.0 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.217 118.2 -6.3 -51.7 135.4 66.0 5.8 25.8 10 25 A N T 3 S+ 0 0 33 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.646 90.4 124.0 51.5 28.4 64.3 9.1 25.0 11 26 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.639 78.4 48.8 -85.9 -14.2 63.4 8.1 21.4 12 27 A V S > S+ 0 0 10 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.700 73.5 173.4-120.9 76.2 59.7 8.8 22.3 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.6 0, 0.0 38,-0.2 0.619 72.3 56.2 -68.4 -11.4 60.2 12.3 24.0 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.457 80.6 109.0 -98.4 -2.6 56.4 13.0 24.4 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.553 47.6-175.0 -75.3 133.7 55.8 9.8 26.4 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.4 -0.853 19.1-139.9-123.6 163.4 55.0 10.5 30.1 17 32 A S E -JK 26 49C 1 32,-1.6 32,-2.5 -2,-0.3 2,-0.6 -0.931 14.9-141.4-115.8 142.0 54.5 8.0 33.0 18 33 A L E -JK 25 48C 0 7,-2.7 6,-1.9 -2,-0.4 7,-1.0 -0.944 27.7-170.3-106.4 128.8 51.7 8.9 35.5 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.966 32.4 167.9-125.3 136.8 53.0 7.8 38.9 20 37 A S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.295 96.2 -47.4-134.9 42.8 51.3 7.6 42.4 21 38 A G S S+ 0 0 70 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.374 139.8 30.4 104.7 -4.2 54.1 5.7 44.1 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.949 101.9 -84.2-169.2 164.5 54.2 3.2 41.2 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.668 50.2 158.4 -81.2 131.9 53.6 3.6 37.4 24 41 A F E + 0 0 30 -6,-1.9 151,-0.3 1,-0.4 2,-0.3 0.594 59.4 1.5-128.9 -22.9 49.8 3.1 36.6 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-2.7 151,-0.1 -1,-0.4 -0.983 60.2-125.0-159.9 167.9 49.3 4.8 33.2 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.486 25.1 177.8-109.2-178.9 50.9 6.6 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.970 25.5-110.8-171.8 172.5 50.2 10.0 28.7 28 45 A S E -JL 15 36C 1 8,-2.7 8,-2.4 -2,-0.3 2,-0.5 -0.957 19.6-133.5-121.6 135.5 51.4 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.1 74,-1.8 -2,-0.4 6,-0.2 -0.764 28.2 171.3 -83.9 126.3 53.0 15.8 26.6 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.548 68.8 -3.7-112.1 -16.5 51.2 18.3 24.2 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.945 92.2 -82.8-158.8 174.0 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 0.690 126.7 29.4 -65.5 -12.5 55.1 22.4 28.3 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.3 1,-0.1 2,-0.4 0.339 110.2 70.5-124.4 6.5 52.4 22.5 31.0 34 51 A W E < -LM 31 89C 10 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.3 -0.984 48.8-175.9-131.3 141.3 49.7 20.1 29.6 35 52 A V E -LM 29 88C 0 53,-2.0 53,-2.1 -2,-0.4 2,-0.4 -0.944 15.7-145.7-125.1 146.0 49.6 16.3 29.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.7 -2,-0.3 51,-0.2 -0.956 32.9 147.7-115.7 136.7 46.7 14.3 27.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.0 -2,-0.4 2,-0.3 -0.664 50.3 -68.8-144.0-162.7 45.9 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.786 31.9-129.5-100.6 146.0 42.7 8.7 29.4 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.819 108.2 64.0 -65.9 -30.2 39.8 9.6 31.8 40 57 A H G 3 S+ 0 0 64 1,-0.2 -1,-0.3 41,-0.1 137,-0.0 0.583 94.0 62.5 -72.0 0.2 39.9 6.1 33.3 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.438 78.8 126.9 -99.1 0.9 43.5 6.8 34.5 42 59 A Y < + 0 0 123 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.0 -0.258 20.6 133.2 -60.6 145.9 42.2 9.6 36.8 43 60 A K - 0 0 55 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.898 53.8-102.6-175.8 168.7 43.1 9.6 40.5 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.668 96.9 50.0-101.3 162.3 44.3 12.3 42.9 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.967 72.3 162.1 78.3 50.4 48.0 12.4 43.9 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.2 2,-0.5 -0.876 22.8-168.0-108.7 138.1 49.5 12.1 40.4 47 64 A Q E -KN 19 66C 50 -28,-2.1 -28,-2.7 -2,-0.4 2,-0.5 -0.976 19.2-139.4-119.5 134.0 53.2 13.0 39.7 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.4 -2,-0.5 2,-0.6 -0.828 13.0-155.9 -96.3 132.8 54.0 13.2 36.0 49 65AA R E -KN 17 64C 47 -32,-2.5 -32,-1.6 -2,-0.5 3,-0.3 -0.926 12.8-176.3-118.2 115.4 57.3 11.8 35.0 50 66 A L E + N 0 63C 2 13,-2.7 13,-2.4 -2,-0.6 -34,-0.1 -0.747 62.1 29.9-106.0 153.0 59.0 13.1 31.8 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -2,-0.3 -1,-0.2 0.730 85.4 155.0 70.0 28.2 62.2 11.9 30.1 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.518 21.5 147.1 -88.6 153.5 61.8 8.4 31.4 53 71 A D S S+ 0 0 18 1,-0.4 2,-0.8 4,-0.2 82,-0.4 0.284 79.1 33.8-144.1 -70.1 63.1 5.2 30.0 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.8 3,-0.2 -1,-0.4 -0.850 73.5-162.1 -91.7 113.0 63.8 2.8 32.9 55 73 A I T 3 S+ 0 0 25 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.583 83.7 53.5 -75.6 -6.3 61.0 3.8 35.4 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.514 105.7 54.0-104.2 -3.6 62.7 2.1 38.4 57 75 A V S < S- 0 0 70 -3,-0.8 2,-0.5 76,-0.1 -4,-0.2 -0.979 74.5-132.9-124.7 139.0 66.2 3.9 38.2 58 76 A V + 0 0 114 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.838 38.4 160.0 -90.2 127.3 67.0 7.7 38.0 59 77 A E - 0 0 112 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.416 56.6 -83.5-125.2 -6.5 69.6 7.8 35.0 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.241 103.6 65.2 114.4 155.4 69.4 11.5 34.1 61 79 A N S S+ 0 0 76 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.203 70.9 131.2 81.6 -10.2 66.9 13.5 31.8 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.411 36.9-170.8 -74.9 146.8 64.0 12.9 34.1 63 81 A Q E -N 50 0C 33 -13,-2.4 -13,-2.7 -2,-0.1 2,-0.5 -0.990 5.3-163.3-133.8 126.4 61.7 15.7 35.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.972 17.9 169.6-112.4 117.7 59.1 14.8 38.0 65 83 A I E -N 48 0C 15 -17,-2.4 -17,-3.2 -2,-0.5 2,-0.1 -0.993 30.5-124.7-131.3 136.7 56.4 17.4 38.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.463 29.7-110.2 -79.0 153.7 53.2 17.2 40.2 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 -21,-0.2 -0.659 21.0-162.8 -80.6 136.4 49.8 17.6 38.4 68 86 A S E S- 0 0 77 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.891 74.5 -9.3 -87.2 -46.5 48.0 20.9 39.4 69 87 A K E -O 89 0C 87 20,-0.9 20,-2.9 2,-0.0 2,-0.4 -0.992 57.3-147.2-148.7 153.7 44.5 19.8 38.1 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.989 12.3-159.3-121.1 131.0 43.2 16.8 36.0 71 89 A I E -O 87 0C 32 16,-3.2 16,-2.0 -2,-0.4 2,-0.2 -0.914 5.2-163.2-114.1 101.3 40.1 17.6 33.7 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.642 42.0 -91.3 -80.3 143.6 38.2 14.4 32.8 73 91 A H > - 0 0 23 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.310 33.5-127.4 -55.1 135.2 35.9 15.0 29.8 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 108.3 46.2 -58.4 -30.3 32.5 16.1 31.2 75 93 A S T 3 S+ 0 0 76 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.152 77.6 136.7-100.7 19.5 30.8 13.3 29.1 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.511 39.1-158.9 -66.0 135.2 33.1 10.5 29.9 77 95 A N B >> -P 82 0D 64 5,-1.8 4,-2.3 -2,-0.2 5,-0.6 -0.981 6.7-158.8-116.1 114.6 31.0 7.3 30.7 78 96 A S T 45S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.647 89.5 55.1 -73.5 -11.7 33.0 4.8 32.8 79 97 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.822 124.3 21.2 -90.5 -34.4 30.8 1.9 31.7 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.684 94.4-134.8-103.9 -19.4 31.2 2.3 27.9 81 99 A L T ><5 + 0 0 31 -4,-2.3 3,-0.7 1,-0.3 2,-0.2 0.725 47.6 158.6 71.2 28.2 34.5 4.3 28.1 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.590 65.3 20.2 -77.6 146.0 33.1 6.7 25.5 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.917 80.4 174.1 60.3 48.5 34.9 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.407 31.3 113.2 -84.8 73.1 37.9 8.5 27.5 85 103 A I - 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