==== 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 1O39 . 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) . 9123.0 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 . 16 7.2 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 . 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 . 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 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.5 52.9 -3.7 25.1 2 17 A V B +A 171 0A 10 169,-2.6 169,-2.0 1,-0.2 123,-0.1 -0.883 360.0 9.7-107.6 137.9 52.9 -7.3 24.0 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.648 102.0 121.5 68.5 19.2 55.0 -8.3 21.0 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.099 54.6-123.5 -97.5-165.1 56.7 -4.9 20.8 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.908 34.4 -81.9-138.4 167.2 60.4 -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 -0.573 35.5-151.2 -72.7 123.5 62.6 -1.7 23.2 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.865 35.9-114.9 -64.6 -39.6 62.2 1.8 21.9 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.0 4,-0.3 0.106 48.4 -56.1 108.7 137.6 65.6 3.0 23.0 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.201 118.4 -9.9 -53.5 129.5 66.1 5.8 25.6 10 25 A N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.679 90.2 125.9 53.4 31.8 64.3 9.0 24.8 11 26 A T S < S+ 0 0 79 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.642 76.4 49.7 -86.1 -14.7 63.4 8.0 21.2 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.697 73.1 174.1-120.3 75.0 59.7 8.8 22.1 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.2 0.560 72.2 55.5 -65.4 -12.2 60.2 12.3 23.7 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.415 81.7 108.6 -99.3 -2.2 56.4 13.1 24.2 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.3 -0.566 47.9-175.5 -75.6 134.8 55.7 9.9 26.2 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.0 -2,-0.3 2,-0.4 -0.892 20.2-138.0-128.4 160.7 55.1 10.6 29.9 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.6 -2,-0.3 2,-0.6 -0.954 14.0-143.1-115.1 135.1 54.5 8.1 32.9 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.2 -2,-0.4 7,-1.0 -0.912 27.4-170.1-101.7 123.7 51.7 9.0 35.3 19 34 A N E +JK 23 47C 20 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.957 31.5 168.6-121.6 134.5 53.1 8.0 38.7 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.336 96.0 -48.0-133.4 44.1 51.2 7.7 42.2 21 38 A G S S+ 0 0 73 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.331 140.4 32.1 103.5 -7.4 54.0 5.8 43.9 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.937 101.3 -87.6-166.0 163.2 54.2 3.4 40.9 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.672 50.2 158.6 -82.3 129.4 53.6 3.8 37.2 24 41 A F E + 0 0 31 -6,-2.2 2,-0.3 -2,-0.4 151,-0.3 0.635 58.9 5.5-126.3 -23.2 49.9 3.2 36.4 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-2.8 151,-0.1 -1,-0.4 -0.962 60.5-126.6-155.3 168.5 49.2 5.0 33.0 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.426 24.6 178.2-107.6-177.6 50.9 6.8 30.1 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.1 -2,-0.2 2,-0.4 -0.946 24.8-113.5-172.9 173.2 50.2 10.1 28.6 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.5 -0.987 19.8-129.9-127.3 135.8 51.4 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.4 74,-1.8 -2,-0.4 6,-0.2 -0.734 29.2 171.2 -82.6 122.5 53.0 15.9 26.3 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.567 68.5 -6.7-109.5 -14.4 51.2 18.4 24.0 31 48 A N E > S- L 0 34C 44 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.929 90.3 -81.7-162.5 174.8 52.8 21.6 25.2 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.648 126.9 29.8 -66.6 -12.0 55.1 22.5 28.1 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.352 111.3 67.9-125.5 6.0 52.3 22.6 30.6 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.3 -0.986 47.9-176.8-135.5 142.1 49.7 20.1 29.4 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.5 -2,-0.4 2,-0.4 -0.926 16.1-144.6-125.9 150.4 49.5 16.4 28.9 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.954 32.8 146.8-119.2 139.7 46.7 14.3 27.4 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.3 -0.729 50.6 -65.7-148.4-164.6 45.8 10.9 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.727 32.6-130.8 -98.7 146.6 42.7 8.7 29.3 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.833 107.0 63.4 -64.6 -31.4 39.9 9.7 31.6 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.557 93.3 64.7 -73.8 -0.0 39.9 6.2 33.2 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.392 78.0 127.1 -97.1 1.0 43.5 7.0 34.4 42 59 A Y < + 0 0 120 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.283 21.5 130.4 -63.6 144.8 42.2 9.7 36.6 43 60 A K - 0 0 52 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.921 54.7 -98.2-176.7 167.6 43.0 9.8 40.3 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.586 96.3 47.8 -96.8 164.0 44.4 12.4 42.7 45 62 A G S S+ 0 0 64 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.971 71.0 165.3 73.5 54.0 48.0 12.5 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.0 21,-0.2 2,-0.5 -0.887 20.8-169.8-108.0 133.8 49.5 12.3 40.1 47 64 A Q E -KN 19 66C 51 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.5 -0.971 19.3-140.3-117.2 132.7 53.1 13.2 39.5 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.6 -2,-0.5 2,-0.6 -0.829 12.2-156.5 -97.5 130.7 54.0 13.4 35.7 49 65AA R E -KN 17 64C 47 -32,-2.6 -32,-2.1 -2,-0.5 3,-0.3 -0.940 12.8-176.5-117.6 115.1 57.3 11.9 34.8 50 66 A L E + N 0 63C 1 13,-2.8 13,-2.1 -2,-0.6 -34,-0.1 -0.690 62.2 29.8-105.6 155.9 58.9 13.2 31.6 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -2,-0.3 -1,-0.2 0.685 85.4 153.2 66.2 24.4 62.2 12.0 29.9 52 70 A E + 0 0 11 -37,-0.3 -42,-0.3 -3,-0.3 -1,-0.2 -0.478 21.7 148.3 -86.0 153.5 61.8 8.6 31.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 82,-0.4 0.293 79.1 36.2-142.0 -70.0 63.1 5.3 29.9 54 72 A N S > S- 0 0 23 3,-0.2 3,-0.9 80,-0.2 -1,-0.4 -0.848 71.9-163.9 -92.4 111.6 63.9 3.0 32.9 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.581 84.0 53.6 -74.8 -8.7 61.0 3.9 35.3 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.497 106.7 53.2-103.1 -2.3 62.8 2.2 38.2 57 75 A V S < S- 0 0 70 -3,-0.9 2,-0.6 76,-0.2 -4,-0.2 -0.995 73.5-132.6-131.3 138.1 66.1 4.1 38.0 58 76 A V + 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.803 39.4 158.7 -88.9 123.1 67.0 7.8 37.8 59 77 A E - 0 0 114 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.437 57.4 -82.8-122.1 -9.3 69.5 7.9 34.9 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.209 102.7 65.2 114.0 154.0 69.3 11.5 33.9 61 79 A N S S+ 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.210 70.1 132.0 84.6 -7.0 66.9 13.5 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.420 36.4-170.8 -78.4 149.4 64.0 13.0 33.9 63 81 A Q E -N 50 0C 35 -13,-2.1 -13,-2.8 -2,-0.1 2,-0.6 -0.986 5.7-163.5-137.1 122.8 61.7 15.8 35.0 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 18.5 169.5-110.8 116.0 59.1 14.9 37.8 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-3.3 -2,-0.6 2,-0.1 -0.989 29.6-126.0-130.3 138.6 56.4 17.6 37.9 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.1 -19,-0.2 26,-0.3 -0.484 28.7-110.0 -82.4 156.3 53.2 17.4 39.9 67 85 A A E -O 90 0C 24 -21,-2.0 23,-0.3 23,-0.2 -21,-0.2 -0.683 18.9-161.7 -84.2 138.3 49.8 17.9 38.2 68 86 A S E S- 0 0 77 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.873 75.3 -12.2 -86.0 -46.6 48.0 21.1 39.1 69 87 A K E -O 89 0C 86 20,-1.0 20,-2.7 2,-0.0 2,-0.4 -0.982 56.2-145.3-151.6 157.6 44.6 19.9 37.8 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.993 12.9-158.6-125.1 131.5 43.2 17.0 35.7 71 89 A I E -O 87 0C 32 16,-3.0 16,-2.2 -2,-0.4 2,-0.3 -0.942 5.5-161.9-116.4 104.8 40.1 17.7 33.5 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.628 40.3 -93.1 -83.4 142.7 38.2 14.5 32.6 73 91 A H > - 0 0 22 12,-2.0 3,-1.7 10,-0.3 -1,-0.1 -0.348 33.4-128.7 -54.9 133.5 35.9 15.0 29.6 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.771 107.2 48.7 -56.0 -29.3 32.5 16.1 31.0 75 93 A S T 3 S+ 0 0 74 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.153 76.9 136.9-100.1 19.1 30.8 13.3 28.9 76 94 A Y < - 0 0 57 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.487 38.7-159.9 -65.6 134.6 33.1 10.5 29.8 77 95 A N B >> -P 82 0D 64 5,-1.7 4,-2.4 -2,-0.1 5,-0.5 -0.984 7.9-158.9-119.3 113.5 31.0 7.3 30.5 78 96 A S T 45S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.665 89.5 56.4 -69.7 -14.6 32.9 4.8 32.7 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.815 123.5 20.3 -86.4 -32.3 30.7 2.0 31.5 80 98 A T T 45S- 0 0 65 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.683 93.9-132.8-106.3 -21.5 31.3 2.4 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.642 48.3 158.8 73.2 26.2 34.5 4.3 27.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.7 1,-0.3 -1,-0.3 -0.577 66.4 18.9 -76.3 139.9 33.1 6.7 25.4 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.895 79.2 172.6 66.3 44.7 35.0 10.1 25.6 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.452 32.2 114.5 -83.9 73.3 37.9 8.5 27.4 85 103 A I - 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