==== 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 1BJV . 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) . 9131.0 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 . 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 . 14 6.3 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 . 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.5 -8.2 8.5 18.8 2 17 A V B +A 171 0A 8 169,-2.6 169,-1.8 1,-0.2 123,-0.1 -0.865 360.0 3.8 -99.7 128.9 -10.4 9.3 15.8 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.818 102.8 118.9 72.4 32.5 -12.1 6.4 14.0 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.109 56.5-116.3-110.0-153.0 -10.8 3.8 16.5 5 20 A Y E -B 137 0B 95 132,-2.4 132,-2.8 -2,-0.1 2,-0.5 -0.926 34.9 -81.5-146.3 167.1 -12.6 1.4 18.8 6 21 A T E -B 136 0B 82 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.666 36.7-150.5 -76.8 122.3 -12.9 0.7 22.5 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 2,-0.1 0.951 35.9-113.5 -56.7 -50.5 -9.9 -1.3 23.5 8 23 A G > - 0 0 25 127,-0.4 3,-1.9 -3,-0.1 4,-0.3 -0.166 48.1 -57.3 112.6 139.6 -11.5 -3.3 26.3 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.181 117.3 -12.6 -59.4 125.4 -10.5 -2.8 30.0 10 25 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.684 92.3 126.6 56.2 27.7 -6.8 -3.4 30.7 11 26 A T S < S+ 0 0 83 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.610 74.7 50.7 -83.0 -13.2 -6.2 -5.0 27.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.627 75.0 175.4-118.3 75.5 -3.4 -2.6 26.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.596 73.6 54.7 -67.2 -14.8 -1.6 -3.2 30.1 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.511 79.5 114.1 -90.9 -11.1 1.4 -1.0 29.3 15 30 A Q E < -J 28 0C 6 -3,-2.3 36,-0.5 13,-0.2 37,-0.4 -0.490 48.7-167.9 -65.8 127.2 -0.8 2.1 28.5 16 31 A V E -J 27 0C 0 11,-2.7 11,-1.1 -2,-0.3 2,-0.5 -0.841 15.4-146.6-114.7 147.4 -0.2 4.9 31.2 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.8 -2,-0.3 2,-0.6 -0.973 12.7-148.0-112.6 129.7 -2.2 8.1 31.8 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.7 -2,-0.5 7,-1.1 -0.902 23.1-173.0 -95.1 124.1 -0.1 11.1 33.0 19 34 A N E +JK 23 47C 21 28,-2.8 28,-2.6 -2,-0.6 4,-0.2 -0.956 29.6 171.3-124.5 135.4 -2.2 13.1 35.3 20 37 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.351 97.4 -43.0-128.6 47.8 -1.5 16.5 36.9 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.176 142.5 26.7 103.2 -10.7 -5.1 17.0 38.3 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.949 101.9 -82.4-171.5 156.8 -6.4 15.7 35.0 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.600 51.4 158.6 -67.7 127.4 -5.2 13.4 32.2 24 41 A F E + 0 0 35 -6,-2.7 2,-0.3 1,-0.4 151,-0.2 0.523 59.0 6.5-127.7 -11.4 -3.0 15.3 29.9 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 153,-0.1 -1,-0.4 -0.977 62.7-124.6-161.2 157.7 -0.8 12.7 28.0 26 43 A G E -J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.447 27.4-178.8 -93.5 176.3 -0.4 9.0 27.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.7 -2,-0.2 2,-0.4 -0.949 23.6-117.9-163.9 169.0 2.8 7.1 28.2 28 45 A S E -JL 15 36C 1 8,-2.5 8,-2.5 -2,-0.3 2,-0.5 -0.983 20.0-131.8-121.7 130.4 4.1 3.5 28.0 29 46 A L E + L 0 35C 1 -15,-2.6 74,-2.5 -2,-0.4 6,-0.2 -0.659 26.8 174.5 -76.6 121.6 5.4 1.4 31.0 30 47 A I E - 0 0 21 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.523 66.9 -11.4-108.2 -6.0 8.8 -0.2 30.0 31 48 A N E > S- L 0 34C 40 3,-1.0 3,-1.1 70,-0.1 -1,-0.4 -0.903 91.8 -74.3-170.3 175.4 9.8 -1.8 33.4 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.609 128.0 28.8 -59.9 -15.8 8.5 -1.5 37.0 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.479 109.1 72.5-120.7 -4.6 10.0 2.0 37.6 34 51 A W E < -LM 31 89C 1 -3,-1.1 -4,-2.2 55,-0.2 -3,-1.0 -0.950 45.8-175.8-126.4 139.6 10.1 3.7 34.2 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.956 15.0-149.2-121.4 139.0 7.6 5.2 31.8 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.2 -0.905 30.5 148.9-105.5 143.1 8.4 6.6 28.3 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.3 -0.820 51.3 -63.2-150.0-167.8 6.3 9.5 26.8 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.698 35.2-133.7 -87.7 140.9 6.8 12.5 24.5 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.854 107.1 64.7 -62.9 -32.1 9.2 15.3 25.6 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.518 91.5 64.5 -66.9 -8.5 6.4 17.8 24.7 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.286 75.7 136.6 -89.7 4.0 4.3 16.3 27.5 42 59 A Y < + 0 0 128 -3,-2.1 2,-0.3 -5,-0.0 -3,-0.0 -0.369 20.8 149.5 -60.2 140.2 6.9 17.6 30.1 43 60 A K - 0 0 51 -2,-0.1 3,-0.3 0, 0.0 2,-0.2 -0.950 46.2-113.5-162.3 149.9 5.3 19.1 33.1 44 61 A S S S+ 0 0 92 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.656 97.3 36.9 -83.7 155.0 6.2 19.4 36.8 45 62 A G S S+ 0 0 69 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.905 75.6 171.9 75.3 43.8 3.9 17.5 39.2 46 63 A I - 0 0 8 -3,-0.3 21,-2.4 21,-0.1 2,-0.5 -0.675 16.9-166.8 -85.1 132.0 3.2 14.4 37.1 47 64 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.987 17.7-139.9-115.9 128.8 1.3 11.4 38.7 48 65 A V E -KN 18 65C 0 17,-2.6 17,-2.4 -2,-0.5 2,-0.5 -0.698 12.3-159.7 -88.0 131.4 1.5 8.3 36.6 49 66 A R E +KN 17 64C 49 -32,-2.8 -32,-2.4 -2,-0.4 3,-0.3 -0.974 14.2 179.5-116.1 110.2 -1.8 6.3 36.5 50 67 A L E + N 0 63C 3 13,-2.9 13,-2.0 -2,-0.5 -34,-0.1 -0.730 60.4 36.7-103.6 159.5 -1.4 2.7 35.5 51 69 A G S S+ 0 0 7 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.723 84.6 156.0 72.1 21.4 -4.1 -0.0 35.2 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.566 22.0 147.4 -88.4 140.5 -6.5 2.5 33.8 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.9 4,-0.3 82,-0.2 0.300 82.0 29.2-123.5 -79.8 -9.5 2.0 31.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.0 1,-0.2 -1,-0.4 -0.666 74.3-161.5 -80.3 107.8 -12.1 4.7 32.5 55 73 A I T 3 S+ 0 0 27 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.553 85.9 52.8 -67.0 -5.0 -9.8 7.5 33.7 56 74 A N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.541 105.2 57.1-106.3 -5.6 -12.7 9.2 35.5 57 75 A V S < S- 0 0 77 -3,-1.0 2,-0.7 76,-0.1 -4,-0.3 -0.962 78.9-128.3-127.9 135.2 -13.9 6.2 37.6 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.783 34.9 171.9 -81.3 114.2 -11.8 4.1 40.1 59 77 A E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.566 51.1 -94.6-106.8 -16.6 -12.6 0.6 38.9 60 78 A G S S+ 0 0 62 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.246 105.0 72.4 128.6 -14.4 -10.2 -1.6 40.9 61 79 A N + 0 0 57 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.327 66.8 118.0-115.0 13.7 -7.0 -2.1 38.9 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.3 -0.368 41.7-164.0 -85.2 154.3 -5.3 1.2 39.0 63 81 A Q E -N 50 0C 36 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.992 7.9-161.9-131.3 128.9 -1.9 2.1 40.6 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 18.8 166.6-118.7 110.7 -1.3 5.8 41.2 65 83 A I E -N 48 0C 7 -17,-2.4 -17,-2.6 -2,-0.6 2,-0.1 -0.989 30.4-128.8-131.2 118.6 2.4 6.5 41.6 66 84 A S E -N 47 0C 46 -2,-0.4 25,-2.7 -19,-0.3 2,-0.3 -0.401 29.5-107.9 -62.6 152.0 4.0 10.1 41.5 67 85 A A E -O 90 0C 26 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.617 23.5-166.1 -77.7 136.6 6.9 10.7 39.3 68 86 A S E S- 0 0 66 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.747 73.1 -5.0 -91.7 -29.6 10.2 11.2 41.2 69 87 A K E -O 89 0C 88 20,-1.0 20,-2.5 2,-0.0 -1,-0.4 -0.984 57.1-149.9-157.8 154.8 12.1 12.6 38.2 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.954 8.2-162.4-120.9 147.5 11.6 13.4 34.4 71 89 A I E -O 87 0C 33 16,-2.4 16,-2.3 -2,-0.3 2,-0.3 -0.946 6.9-156.9-136.0 107.3 14.4 13.4 31.8 72 90 A V E -O 86 0C 52 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.703 40.8 -91.9 -83.5 140.4 13.7 15.1 28.6 73 91 A H > - 0 0 23 12,-2.0 3,-2.3 -2,-0.3 -1,-0.1 -0.258 35.9-124.8 -51.8 134.3 15.9 13.9 25.7 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.754 107.9 43.6 -60.1 -30.3 19.1 16.1 25.6 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.119 79.2 138.4-101.2 22.1 18.6 17.0 22.0 76 94 A Y < - 0 0 51 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.513 35.0-163.3 -68.8 127.2 14.8 17.6 22.1 77 95 A N B >> -P 82 0D 68 5,-2.3 4,-1.3 -2,-0.2 5,-0.6 -0.959 7.0-163.4-110.0 115.0 13.9 20.6 20.0 78 96 A S T 45S+ 0 0 74 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.729 86.5 58.5 -69.0 -21.5 10.4 21.9 20.9 79 97 A N T 45S+ 0 0 150 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.902 122.7 21.0 -76.6 -39.1 10.1 24.0 17.7 80 98 A T T 45S- 0 0 74 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.352 97.1-130.4-102.4 -9.8 10.6 21.1 15.3 81 99 A L T ><5 + 0 0 37 -4,-1.3 3,-0.8 1,-0.2 2,-0.2 0.663 49.1 161.6 59.7 22.6 9.6 18.3 17.7 82 100 A N B 3 < +P 77 0D 38 -5,-0.6 -5,-2.3 1,-0.2 -1,-0.2 -0.564 66.3 13.3 -69.1 133.5 12.8 16.5 16.7 83 101 A N T 3 S- 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -1,-0.2 0.901 78.6-180.0 61.6 51.5 13.6 13.9 19.4 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.461 34.9 113.5 -85.1 74.8 10.3 14.0 21.1 85 103 A I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.996 35.6 176.5-143.1 146.3 10.9 11.5 23.8 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.994 19.5-138.2-152.3 151.7 11.2 11.6 27.6 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.4 -2,-0.3 2,-0.4 -0.876 13.4-164.8-111.8 140.5 11.6 9.2 30.4 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.4 -0.992 7.8-150.7-125.5 124.8 9.7 9.4 33.8 89 107 A K E -MO 34 69C 39 -20,-2.5 -21,-2.7 -2,-0.4 -20,-1.0 -0.769 15.3-132.8 -96.2 141.6 10.8 7.5 36.9 90 108 A L E - 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