==== 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 1O38 . 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) . 9183.0 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 . 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 . 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 . 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 0.000 360.0 360.0 360.0 126.6 52.8 -3.6 25.4 2 17 A V B +A 171 0A 11 169,-3.1 169,-2.2 1,-0.2 123,-0.1 -0.902 360.0 8.2-107.1 132.6 52.7 -7.3 24.4 3 18 A G S S+ 0 0 40 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.709 102.5 118.7 71.6 24.8 54.9 -8.4 21.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.174 56.8-116.6-104.7-163.3 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.9 -2,-0.1 2,-0.5 -0.896 35.1 -84.6-135.8 165.6 60.3 -3.9 21.4 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.588 36.8-149.2 -71.0 119.7 62.3 -1.7 23.6 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.911 34.8-116.3 -57.9 -47.4 61.9 1.8 22.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.002 47.8 -54.0 114.9 141.7 65.3 3.1 23.1 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.198 117.1 -12.2 -55.2 128.6 65.9 5.9 25.6 10 25 A N T 3 S+ 0 0 28 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.675 90.3 126.6 53.5 30.6 64.1 9.1 24.9 11 26 A T S < S+ 0 0 78 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.546 76.2 47.9 -87.1 -7.3 63.1 8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.683 73.4 173.5-128.3 74.3 59.4 8.9 22.2 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.592 72.0 56.9 -68.0 -12.2 59.9 12.3 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.449 81.1 108.8 -96.2 -3.2 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.567 48.0-174.7 -76.7 132.3 55.5 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.879 19.6-138.5-126.2 160.7 54.7 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.9 -2,-0.3 2,-0.6 -0.966 14.5-142.5-116.8 131.5 54.1 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.0 -0.881 28.4-167.2 -99.1 126.2 51.3 9.3 35.4 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.3 -2,-0.6 4,-0.2 -0.966 35.3 166.2-124.7 134.8 52.6 8.4 38.8 20 37 A S S S- 0 0 36 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.378 96.5 -48.6-134.6 47.1 51.0 8.1 42.3 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.417 139.6 32.5 98.6 -1.7 53.8 6.3 44.0 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.918 101.8 -85.6-172.8 160.4 53.9 3.9 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.652 49.9 159.3 -78.1 125.1 53.3 4.1 37.3 24 41 A F E + 0 0 32 -6,-2.4 2,-0.3 -2,-0.4 151,-0.3 0.604 59.9 2.6-124.8 -17.1 49.5 3.6 36.6 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.978 61.0-126.0-161.7 164.5 48.9 5.2 33.1 26 43 A G E +J 17 0C 2 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.434 25.2 177.3-105.4-177.1 50.6 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.961 24.5-114.0-171.7 175.2 49.9 10.2 28.5 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.6 -2,-0.3 2,-0.5 -0.993 18.8-130.5-130.7 134.8 51.1 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.715 27.4 173.1 -82.3 121.7 52.6 16.0 26.1 30 47 A I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.548 69.9 -8.0-108.2 -10.4 50.8 18.3 23.6 31 48 A N E > S- L 0 34C 48 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.920 92.0 -78.5-166.1 175.2 52.4 21.7 24.7 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.646 127.3 29.9 -65.3 -12.5 54.7 22.7 27.6 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.413 109.8 69.8-124.7 2.8 51.9 22.8 30.2 34 51 A W E < -LM 31 89C 9 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.979 47.5-173.7-133.8 143.0 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.938 14.6-146.1-124.9 144.0 49.0 16.5 28.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.2 -0.929 33.2 146.4-113.0 136.5 46.3 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.4 -0.744 50.2 -68.3-147.6-166.3 45.5 10.9 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.748 32.6-130.5 -99.2 142.7 42.4 8.7 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.846 105.9 63.2 -59.2 -35.0 39.5 9.7 31.5 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.547 93.2 65.1 -71.4 -1.5 39.5 6.3 33.2 41 58 A b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.360 77.2 129.0 -95.4 1.5 43.1 7.1 34.4 42 59 A Y < + 0 0 123 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.320 21.3 133.9 -62.0 138.0 41.7 10.0 36.5 43 60 A K - 0 0 55 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.941 52.7-101.6-168.6 165.8 42.7 10.1 40.3 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.591 96.3 46.5 -95.9 164.2 43.9 12.8 42.6 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.909 73.1 168.1 76.2 42.3 47.6 13.1 43.5 46 63 A I - 0 0 11 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.762 20.4-169.2 -96.2 133.9 49.0 12.7 40.1 47 64 A Q E -KN 19 66C 54 -28,-2.3 -28,-2.7 -2,-0.5 2,-0.5 -0.979 17.4-143.1-115.6 127.2 52.7 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.823 11.7-157.1 -95.0 129.1 53.5 13.6 35.6 49 65AA R E -KN 17 64C 50 -32,-2.9 -32,-2.2 -2,-0.5 3,-0.3 -0.953 12.4-174.7-115.4 116.4 56.9 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.643 60.3 28.9-104.8 160.0 58.5 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.704 83.5 151.6 61.9 28.5 61.7 12.3 29.9 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.538 23.9 153.7 -90.5 153.9 61.6 8.8 31.3 53 71 A D S S+ 0 0 16 1,-0.3 2,-0.8 4,-0.3 -1,-0.2 0.231 83.1 33.1-135.8 -78.9 63.0 5.6 29.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.1 1,-0.2 -1,-0.3 -0.692 72.1-164.7 -82.3 110.9 63.6 3.4 33.0 55 73 A I T 3 S+ 0 0 27 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.545 85.8 54.0 -75.6 -3.2 60.7 4.5 35.4 56 74 A N T 3 S+ 0 0 113 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.385 106.4 55.9-108.0 -1.5 62.5 2.8 38.4 57 75 A V S < S- 0 0 71 -3,-1.1 2,-1.0 76,-0.2 -4,-0.3 -0.998 76.0-134.5-134.1 132.1 65.8 4.6 37.9 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.737 37.7 164.6 -83.7 108.3 66.5 8.3 37.8 59 77 A E - 0 0 104 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.555 54.5 -86.7-103.9 -10.8 68.9 8.2 34.8 60 78 A G S S+ 0 0 35 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.146 104.3 64.9 112.4 150.8 68.9 11.9 33.9 61 79 A N + 0 0 78 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.157 69.6 132.0 88.4 -10.5 66.4 13.9 31.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.413 35.6-172.4 -72.3 146.7 63.5 13.3 33.9 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.983 6.9-162.3-136.8 121.4 61.2 16.2 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 17.7 171.6-109.7 121.1 58.6 15.4 37.7 65 83 A I E -N 48 0C 19 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.997 29.7-122.7-135.1 135.2 55.8 17.9 37.8 66 84 A S E -N 47 0C 47 -2,-0.4 25,-2.7 -19,-0.2 26,-0.3 -0.416 28.4-114.1 -74.5 152.4 52.6 17.9 39.7 67 85 A A E -O 90 0C 21 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.677 19.9-162.9 -82.5 139.8 49.3 18.1 37.9 68 86 A S E S- 0 0 78 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.816 74.9 -8.9 -91.9 -41.6 47.5 21.4 38.8 69 87 A K E -O 89 0C 85 20,-1.3 20,-2.8 2,-0.0 2,-0.4 -0.988 56.7-148.1-154.1 154.6 44.1 20.1 37.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.982 13.1-158.6-123.6 135.3 42.8 17.2 35.5 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.4 -2,-0.4 2,-0.3 -0.937 4.2-161.2-121.3 105.2 39.8 17.8 33.3 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.615 39.8 -93.8 -82.6 142.1 37.8 14.6 32.4 73 91 A H > - 0 0 24 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.356 33.5-128.9 -55.7 131.3 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.747 106.9 48.1 -56.5 -26.3 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.163 77.0 138.7-102.4 17.7 30.4 13.3 28.6 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.459 39.1-157.1 -63.1 132.9 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 64 5,-2.1 4,-2.3 -2,-0.1 5,-0.5 -0.961 6.7-162.2-115.1 111.6 30.7 7.3 30.3 78 96 A S T 45S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.615 89.1 54.6 -70.4 -11.3 32.6 4.9 32.6 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.846 124.3 21.0 -90.2 -37.4 30.4 2.0 31.6 80 98 A T T 45S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.578 93.5-133.3-103.8 -11.0 31.0 2.3 27.8 81 99 A L T ><5 + 0 0 30 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.676 48.9 158.4 64.1 22.5 34.2 4.2 27.9 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.584 67.2 18.7 -74.0 141.9 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.886 80.2 173.7 61.9 45.6 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.510 32.9 113.6 -82.8 76.5 37.6 8.4 27.3 85 103 A I - 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