==== 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 1O2Z . 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) . 9125.0 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 . 70 31.4 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.5 52.9 -3.6 25.0 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.899 360.0 10.1-105.5 130.5 52.9 -7.3 23.9 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.706 101.5 121.8 77.5 20.4 55.0 -8.3 20.9 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.178 53.8-123.8-100.6-166.4 56.8 -4.9 20.8 5 20 A Y E -B 137 0B 93 132,-2.3 132,-2.7 -2,-0.1 2,-0.4 -0.897 34.3 -81.1-137.2 167.1 60.5 -3.9 21.0 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.566 35.0-151.8 -74.8 125.6 62.6 -1.7 23.1 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.4 129,-0.1 0.851 35.9-113.7 -65.0 -40.8 62.3 1.8 21.9 8 23 A G > - 0 0 29 127,-0.5 3,-1.8 4,-0.0 4,-0.3 0.120 49.2 -59.0 109.0 137.0 65.7 3.1 22.9 9 24 A A T 3 S- 0 0 55 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.246 117.6 -8.1 -56.1 135.4 66.1 5.7 25.6 10 25 A N T 3 S+ 0 0 33 42,-0.4 -1,-0.2 2,-0.2 43,-0.1 0.541 90.2 125.1 52.7 24.7 64.4 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.559 77.5 49.5 -81.5 -9.6 63.4 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.732 73.6 173.8-126.1 78.9 59.8 8.9 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.645 72.2 57.1 -71.0 -16.9 60.3 12.3 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.9 88,-0.1 2,-0.2 0.477 81.6 107.7 -90.3 -7.4 56.6 13.1 24.3 15 30 A Q E < -J 28 0C 6 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.530 47.4-174.8 -74.2 137.7 55.8 9.9 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.3 -2,-0.2 2,-0.4 -0.921 19.6-138.6-130.3 158.1 55.2 10.4 30.1 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.6 -2,-0.3 2,-0.6 -0.932 14.5-142.3-113.1 135.8 54.6 7.9 32.9 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.4 7,-1.1 -0.903 27.3-169.5-100.2 124.7 51.8 8.8 35.5 19 34 A N E +JK 23 47C 17 28,-2.7 28,-1.8 -2,-0.6 4,-0.2 -0.969 30.2 170.4-123.2 135.2 53.2 7.6 38.9 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.351 96.3 -48.3-132.6 44.8 51.4 7.4 42.2 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.366 141.4 34.1 101.6 -6.3 54.2 5.5 44.0 22 39 A Y S S- 0 0 138 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.920 102.1 -87.0-168.0 157.9 54.4 3.2 40.9 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.584 51.3 159.0 -73.1 133.9 53.8 3.6 37.2 24 41 A F E + 0 0 30 -6,-2.3 2,-0.3 1,-0.5 151,-0.3 0.561 58.1 3.7-130.9 -24.6 50.1 3.1 36.5 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.5 -0.973 62.0-123.2-156.0 167.2 49.4 4.8 33.1 26 43 A G E -J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.421 25.2-178.6-104.5 178.9 51.0 6.6 30.2 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.3 -2,-0.2 2,-0.4 -0.957 23.4-116.8-169.3 168.5 50.3 10.1 28.8 28 45 A S E -JL 15 36C 1 8,-2.6 8,-2.0 -2,-0.3 2,-0.5 -0.981 20.2-131.1-125.9 126.7 51.5 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.9 74,-1.8 -2,-0.4 6,-0.2 -0.627 29.4 171.8 -71.8 116.9 53.1 15.8 26.5 30 47 A I E - 0 0 18 4,-1.9 2,-0.3 -2,-0.5 5,-0.2 0.605 67.6 -4.9-105.4 -16.7 51.2 18.3 24.2 31 48 A N E > S- L 0 34C 46 3,-1.4 3,-0.5 70,-0.1 -1,-0.2 -0.926 91.5 -81.9-157.5 177.9 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.666 127.4 29.9 -69.1 -7.6 55.2 22.4 28.2 33 50 A Q T 3 S+ 0 0 64 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.439 110.7 67.3-127.0 -0.2 52.5 22.4 30.8 34 51 A W E < -LM 31 89C 8 -3,-0.5 -4,-1.9 55,-0.2 -3,-1.4 -0.953 47.7-173.8-130.8 148.4 49.9 20.0 29.7 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.4 -2,-0.4 2,-0.4 -0.957 15.0-146.4-130.3 145.4 49.6 16.2 29.1 36 53 A V E +LM 28 87C 1 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.3 -0.903 33.7 147.1-113.5 142.7 46.7 14.3 27.6 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.4 -2,-0.4 2,-0.4 -0.749 50.6 -66.2-151.4-164.5 46.0 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.800 31.4-129.1-103.4 139.4 42.8 8.7 29.4 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.808 106.0 62.4 -55.0 -36.3 40.0 9.6 31.8 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.487 94.4 62.7 -73.8 4.1 40.0 6.1 33.4 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.370 79.9 126.8-102.9 2.1 43.6 6.7 34.6 42 59 A Y < + 0 0 122 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.300 21.2 128.4 -64.8 146.2 42.3 9.5 36.8 43 60 A K - 0 0 54 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.913 53.9 -96.8-177.5 170.8 43.1 9.6 40.5 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.532 95.9 48.2-100.4 171.1 44.6 12.1 42.8 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.939 73.8 164.7 69.7 45.5 48.1 12.3 43.9 46 63 A I - 0 0 10 -3,-0.2 21,-1.7 21,-0.1 2,-0.4 -0.769 21.4-167.2 -99.5 142.5 49.6 12.0 40.4 47 64 A Q E -KN 19 66C 50 -28,-1.8 -28,-2.7 -2,-0.4 2,-0.5 -0.989 16.8-139.7-124.2 133.0 53.2 12.9 39.6 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.6 -2,-0.4 2,-0.6 -0.832 12.0-158.0 -99.5 132.0 54.1 13.2 35.9 49 65AA R E -KN 17 64C 47 -32,-2.6 -32,-1.8 -2,-0.5 3,-0.3 -0.934 12.9-176.0-118.2 110.2 57.5 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.9 -2,-0.6 -34,-0.1 -0.621 62.0 28.3-101.9 158.6 59.0 13.0 31.7 51 69 A G S S+ 0 0 6 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.1 0.718 86.4 152.8 63.1 26.5 62.2 12.0 30.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.434 21.8 150.6 -87.2 157.8 61.9 8.5 31.3 53 71 A D S S+ 0 0 17 1,-0.3 2,-1.0 4,-0.2 82,-0.2 0.206 78.8 35.3-143.7 -77.0 63.2 5.2 29.9 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.1 3,-0.2 80,-0.3 -0.770 73.6-162.6 -86.4 106.2 64.0 2.8 32.8 55 73 A I T 3 S+ 0 0 26 78,-2.6 -1,-0.1 -2,-1.0 79,-0.1 0.577 83.0 53.9 -68.4 -7.7 61.1 3.7 35.3 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.508 107.2 50.0-103.9 -3.7 62.9 2.1 38.3 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.5 76,-0.2 -4,-0.2 -1.000 75.5-131.3-132.2 135.0 66.3 3.9 38.1 58 76 A V + 0 0 110 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.743 36.9 161.8 -85.2 127.5 67.1 7.6 37.8 59 77 A E - 0 0 120 -2,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.482 57.6 -85.4-120.3 -14.5 69.7 7.7 34.9 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.235 102.7 66.5 118.1 156.0 69.4 11.3 34.0 61 79 A N + 0 0 77 1,-0.3 2,-0.2 -2,-0.1 -9,-0.0 0.231 70.0 129.8 84.8 -7.2 67.0 13.4 31.8 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.471 37.8-170.9 -78.6 149.5 64.1 12.7 34.0 63 81 A Q E -N 50 0C 41 -13,-1.9 -13,-2.7 -2,-0.2 2,-0.5 -0.975 5.1-162.9-138.5 120.3 61.9 15.6 35.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 17.1 169.9-107.8 121.0 59.2 14.7 37.9 65 83 A I E -N 48 0C 17 -17,-2.6 -17,-3.1 -2,-0.5 2,-0.1 -0.997 30.5-123.6-133.6 137.5 56.5 17.4 38.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.405 31.1-110.1 -77.0 157.9 53.2 17.2 40.2 67 85 A A E -O 90 0C 21 -21,-1.7 23,-0.3 23,-0.2 3,-0.1 -0.676 19.3-160.5 -85.8 143.2 49.9 17.7 38.4 68 86 A S E S- 0 0 82 21,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.921 75.6 -9.7 -87.3 -57.5 48.0 21.0 39.3 69 87 A K E -O 89 0C 88 20,-0.7 20,-2.1 2,-0.0 2,-0.4 -0.917 56.9-147.1-136.8 160.2 44.6 19.8 38.0 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 14.5-159.0-127.3 132.0 43.3 16.8 36.0 71 89 A I E -O 87 0C 31 16,-3.3 16,-2.0 -2,-0.4 2,-0.3 -0.930 5.1-161.5-117.5 102.5 40.3 17.6 33.8 72 90 A V E -O 86 0C 48 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.658 39.4 -93.9 -81.3 142.3 38.3 14.4 32.9 73 91 A H > - 0 0 24 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.288 32.5-128.1 -56.6 135.0 36.1 15.0 29.8 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 107.7 46.8 -58.8 -28.9 32.6 16.0 31.1 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.116 77.1 137.2-100.8 17.9 30.9 13.3 29.0 76 94 A Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.525 39.6-159.3 -64.9 131.5 33.3 10.5 29.9 77 95 A N > - 0 0 66 5,-2.1 4,-2.4 -2,-0.2 5,-0.5 -0.979 7.1-158.6-116.7 116.3 31.1 7.4 30.5 78 96 A S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.649 87.9 54.3 -73.8 -11.9 32.9 4.8 32.7 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.871 124.3 21.8 -89.7 -35.9 30.8 1.9 31.6 80 98 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.703 94.7-132.6 -99.0 -21.6 31.3 2.3 27.9 81 99 A L >< + 0 0 32 -4,-2.4 3,-0.8 1,-0.3 -3,-0.2 0.600 47.1 161.7 75.3 22.3 34.6 4.3 28.1 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.545 67.2 17.2 -69.6 140.3 33.1 6.7 25.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.885 78.5 175.4 63.5 47.0 35.1 10.0 25.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.455 33.8 116.0 -84.0 71.1 38.1 8.4 27.6 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.989 36.7 179.8-141.6 146.8 40.3 11.5 27.6 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.5 -2,-0.3 2,-0.4 -0.991 17.0-145.8-146.8 144.0 41.8 13.7 30.3 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.3 -2,-0.3 2,-0.4 -0.894 12.3-166.0-111.5 139.8 44.0 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.4 -53,-2.2 -2,-0.4 2,-0.4 -0.996 8.6-151.8-125.8 133.4 46.5 17.2 33.3 89 107 A K E -MO 34 69C 45 -20,-2.1 -21,-3.4 -2,-0.4 -20,-0.7 -0.876 21.2-127.7-105.0 139.0 48.1 20.6 33.8 90 108 A L E - 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