==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 29-JUN-98 1BJU . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.PRESNELL,G.PATIL,C.MURA,K.JUDE,J.CONLEY,C.KAM,J.BERTRAND, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.2 -8.2 8.6 19.3 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.865 360.0 3.1-102.6 129.3 -10.4 9.4 16.3 3 18 A G S S+ 0 0 40 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.737 101.2 120.8 73.8 25.0 -12.1 6.5 14.5 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.135 57.0-112.0-104.1-159.8 -10.9 3.8 16.9 5 20 A Y E -B 137 0B 102 132,-2.4 132,-2.9 -2,-0.1 2,-0.5 -0.857 36.3 -86.3-134.4 164.3 -12.7 1.3 19.2 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.670 36.9-147.4 -74.0 122.6 -13.1 0.9 22.9 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.866 33.4-116.1 -61.1 -42.0 -10.2 -1.2 24.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 0.040 47.6 -57.8 105.5 138.6 -11.8 -3.1 26.8 9 24 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.222 116.8 -10.7 -60.3 126.0 -10.7 -2.8 30.4 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.683 90.3 124.9 61.7 24.8 -7.1 -3.6 31.1 11 26 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.601 76.9 49.4 -82.5 -10.4 -6.5 -5.1 27.7 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.663 74.1 174.0-122.1 76.5 -3.6 -2.6 27.2 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.620 71.9 55.8 -72.9 -11.9 -1.8 -3.2 30.6 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.491 80.0 113.8 -93.0 -5.6 1.3 -1.0 29.9 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.517 47.4-169.6 -74.7 134.3 -0.9 2.2 29.2 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.3 -2,-0.2 2,-0.4 -0.892 16.5-146.5-121.4 151.7 -0.4 4.9 31.7 17 32 A S E -JK 26 49C 1 32,-2.2 32,-3.0 -2,-0.3 2,-0.5 -0.955 14.8-144.3-112.9 136.8 -2.3 8.2 32.3 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.4 7,-1.0 -0.913 23.3-168.3-101.0 127.5 -0.2 11.2 33.6 19 34 A N E +JK 23 47C 24 28,-2.7 28,-2.3 -2,-0.5 4,-0.2 -0.941 31.6 167.5-123.1 132.4 -2.3 13.3 36.0 20 35 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.300 97.4 -46.1-128.9 45.9 -1.7 16.7 37.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.192 140.3 28.6 106.2 -11.6 -5.3 17.1 38.9 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.947 102.9 -81.3-167.9 158.9 -6.7 15.9 35.5 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.643 51.7 159.0 -69.5 126.1 -5.4 13.6 32.7 24 41 A F E + 0 0 30 -6,-2.6 2,-0.3 -2,-0.4 151,-0.2 0.555 59.0 1.9-124.5 -13.8 -3.1 15.5 30.4 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.980 61.7-122.8-163.7 160.3 -0.9 12.8 28.6 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.449 27.5 178.7 -96.7 178.7 -0.5 9.1 28.2 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.950 24.6-116.2-164.8 177.9 2.7 7.1 28.8 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.4 -2,-0.3 2,-0.5 -0.992 19.9-130.7-129.4 131.6 4.0 3.5 28.7 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.1 -2,-0.4 6,-0.2 -0.698 26.0 177.2 -77.7 121.9 5.3 1.5 31.6 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.491 68.1 -13.1-108.8 -6.6 8.7 -0.0 30.6 31 48 A N E > S- L 0 34C 48 3,-0.9 3,-0.7 70,-0.1 -1,-0.3 -0.906 92.8 -73.1-169.2-177.3 9.6 -1.7 33.9 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.632 127.6 27.4 -68.5 -11.6 8.2 -1.5 37.5 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.475 108.9 71.5-126.3 2.6 9.7 1.9 38.2 34 51 A W E < -LM 31 89C 7 -3,-0.7 -4,-2.2 55,-0.2 -3,-0.9 -0.946 48.1-171.6-129.1 142.1 10.0 3.8 34.9 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.951 11.9-150.5-123.2 140.3 7.5 5.4 32.4 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.2 -0.921 30.4 148.4-109.9 138.9 8.4 6.7 28.9 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.793 51.1 -64.6-145.7-165.7 6.3 9.6 27.5 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.723 34.3-133.8 -92.5 140.1 6.7 12.6 25.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.847 106.0 64.9 -64.7 -30.5 9.0 15.4 26.3 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.572 93.0 64.0 -69.1 -5.2 6.3 18.0 25.3 41 58 A b G < S+ 0 0 4 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.381 76.1 134.5 -89.4 1.2 4.2 16.4 28.1 42 59 A Y < + 0 0 132 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.320 19.4 148.5 -60.9 135.1 6.7 17.6 30.7 43 60 A K - 0 0 53 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.950 46.9-112.9-151.2 155.8 5.2 19.3 33.9 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.607 97.8 39.5 -84.3 157.4 6.4 19.4 37.5 45 62 A G S S+ 0 0 68 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.886 75.2 172.3 78.2 39.9 4.0 17.4 39.9 46 63 A I - 0 0 8 -3,-0.3 21,-2.5 -26,-0.1 2,-0.5 -0.613 18.1-164.6 -87.0 134.6 3.1 14.4 37.8 47 64 A Q E -KN 19 66C 55 -28,-2.3 -28,-2.7 -2,-0.3 2,-0.4 -0.988 16.5-141.6-112.3 128.3 1.2 11.6 39.4 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.5 -2,-0.5 2,-0.6 -0.764 11.2-158.4 -92.5 130.5 1.3 8.3 37.2 49 66 A R E -KN 17 64C 53 -32,-3.0 -32,-2.2 -2,-0.4 3,-0.3 -0.946 13.8-177.6-117.9 113.5 -2.0 6.4 37.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-1.6 -2,-0.6 -34,-0.1 -0.690 59.5 32.5-104.0 160.8 -1.6 2.7 36.2 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.743 84.6 156.1 66.1 23.9 -4.2 -0.0 35.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.529 23.0 149.5 -85.1 144.3 -6.8 2.5 34.4 53 71 A D S S+ 0 0 17 1,-0.5 2,-0.8 4,-0.3 -1,-0.2 0.272 81.0 31.2-127.2 -78.3 -9.8 2.1 32.2 54 72 A N S > S- 0 0 27 80,-0.2 3,-0.8 1,-0.2 -1,-0.5 -0.655 72.6-162.3 -78.1 115.1 -12.4 4.7 33.1 55 73 A I T 3 S+ 0 0 33 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.580 86.2 51.8 -75.6 -6.7 -10.2 7.6 34.3 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.446 106.9 57.0-103.0 -2.2 -13.1 9.3 36.1 57 75 A V S < S- 0 0 78 -3,-0.8 2,-0.7 76,-0.2 -4,-0.3 -0.974 78.0-128.6-132.3 138.7 -14.2 6.2 38.1 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.825 33.1 170.6 -86.5 118.7 -12.2 4.0 40.6 59 77 A E - 0 0 99 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.430 51.7 -99.1-112.5 -8.0 -12.8 0.6 39.4 60 78 A G S S+ 0 0 62 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.231 102.7 78.2 114.8 -19.2 -10.4 -1.5 41.5 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.399 66.8 118.3-102.8 9.0 -7.2 -2.2 39.4 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.333 39.8-171.3 -80.2 152.6 -5.5 1.2 39.7 63 81 A Q E -N 50 0C 41 -13,-1.6 -13,-3.0 -2,-0.1 2,-0.6 -0.979 8.5-163.9-133.4 125.1 -2.2 2.1 41.3 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.976 17.0 169.4-113.9 118.3 -1.5 5.9 41.6 65 83 A I E -N 48 0C 17 -17,-2.5 -17,-2.8 -2,-0.6 2,-0.1 -0.998 28.6-128.1-129.6 131.4 2.2 6.5 42.2 66 84 A S E -N 47 0C 47 -2,-0.4 25,-2.6 -19,-0.3 26,-0.2 -0.483 27.7-107.5 -82.4 156.1 3.8 10.0 42.1 67 85 A A E -O 90 0C 15 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.483 24.6-171.1 -75.8 142.2 6.9 10.7 39.9 68 86 A S E S+ 0 0 60 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.723 73.9 10.7-102.7 -29.4 10.3 11.3 41.8 69 87 A K E -O 89 0C 88 20,-1.0 20,-2.7 2,-0.0 -1,-0.4 -0.993 58.1-160.7-147.8 144.2 12.3 12.4 38.7 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.977 8.6-168.9-121.0 138.0 11.5 13.5 35.2 71 89 A I E -O 87 0C 37 16,-2.7 16,-2.2 -2,-0.4 2,-0.2 -0.932 6.2-159.2-130.3 106.9 14.4 13.4 32.5 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.621 42.1 -87.7 -82.0 146.9 13.6 15.1 29.2 73 91 A H > - 0 0 22 12,-2.1 3,-2.0 10,-0.3 -1,-0.1 -0.288 36.7-124.6 -51.8 136.7 15.8 14.0 26.3 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 108.5 43.1 -61.1 -28.6 19.0 16.2 26.3 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.126 77.6 142.9-102.0 21.6 18.4 17.2 22.6 76 94 A Y < - 0 0 59 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.434 32.3-164.2 -61.9 127.3 14.7 17.8 22.8 77 95 A N B >> -P 82 0D 66 5,-2.1 4,-2.8 -2,-0.1 5,-0.5 -0.937 8.9-163.7-113.4 109.1 13.8 20.8 20.6 78 96 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.719 87.6 56.6 -68.5 -15.1 10.3 22.2 21.3 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.931 123.4 20.9 -81.3 -39.0 10.3 24.1 18.0 80 98 A T T 45S- 0 0 72 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.621 95.6-133.0 -97.9 -19.7 10.9 21.1 15.7 81 99 A L T ><5 + 0 0 35 -4,-2.8 3,-0.9 1,-0.3 2,-0.2 0.612 48.9 158.2 66.5 22.1 9.7 18.4 18.2 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.550 66.2 15.8 -71.2 137.2 12.8 16.4 17.3 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.860 77.8 176.7 64.0 45.4 13.6 14.0 20.1 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.495 35.9 109.4 -80.7 81.4 10.2 14.3 21.7 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.995 38.3 179.6-155.9 144.8 10.7 11.7 24.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.988 20.0-135.1-149.1 153.4 11.1 11.7 28.3 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.4 -0.882 14.9-163.5-109.9 140.8 11.6 9.2 31.1 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.5 -0.993 7.5-151.2-124.9 123.3 9.7 9.4 34.4 89 107 A K E -MO 34 69C 33 -20,-2.7 -21,-3.1 -2,-0.4 -20,-1.0 -0.815 16.5-132.5 -93.9 135.5 10.8 7.5 37.5 90 108 A L E - 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