==== 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 1O2N . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9186.0 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 . 15 6.7 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 0.000 360.0 360.0 360.0 126.8 53.0 -3.6 25.3 2 17 A V B +A 171 0A 11 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.865 360.0 6.9-105.4 136.7 52.9 -7.3 24.3 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.736 103.4 118.2 65.3 27.3 55.1 -8.4 21.3 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.224 57.0-115.5-107.5-162.4 56.7 -5.0 20.9 5 20 A Y E -B 137 0B 86 132,-2.6 132,-2.9 -2,-0.1 2,-0.4 -0.889 33.8 -85.6-135.0 166.8 60.3 -3.8 21.2 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.589 36.1-148.4 -71.9 125.0 62.4 -1.5 23.4 7 22 A a - 0 0 19 128,-2.4 -1,-0.2 -2,-0.4 129,-0.1 0.896 35.4-112.9 -62.7 -43.7 62.0 1.9 22.0 8 23 A G > - 0 0 29 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.007 49.5 -58.0 114.6 139.9 65.4 3.3 22.9 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.272 117.6 -10.9 -57.7 127.4 65.9 6.0 25.5 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.633 89.7 126.2 57.9 26.8 64.0 9.1 24.7 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.561 76.8 50.1 -85.3 -5.5 63.1 8.2 21.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.690 73.4 174.0-126.7 73.6 59.4 8.9 22.0 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.597 71.4 57.2 -66.4 -12.1 59.9 12.4 23.6 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.484 80.3 108.8 -96.8 -4.8 56.2 13.1 24.0 15 30 A Q E < -J 28 0C 8 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.537 47.0-176.7 -74.8 133.9 55.5 10.0 26.1 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.1 -2,-0.3 2,-0.4 -0.884 20.7-137.2-127.7 161.7 54.8 10.7 29.8 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.960 14.4-141.9-116.0 134.8 54.2 8.4 32.8 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.1 -2,-0.4 7,-1.0 -0.882 29.5-169.7-100.1 126.2 51.3 9.3 35.2 19 34 A N E +JK 23 47C 16 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.969 35.7 166.4-126.1 135.9 52.6 8.4 38.7 20 37 A S S S- 0 0 37 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.372 96.6 -48.2-134.6 46.2 51.0 8.2 42.1 21 38 A G S S+ 0 0 73 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.394 139.2 32.4 101.8 -6.4 53.8 6.3 43.8 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.914 101.0 -87.8-166.2 166.1 53.9 3.8 40.9 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.764 49.5 159.6 -87.3 128.8 53.3 4.1 37.1 24 41 A F E + 0 0 32 -6,-2.1 151,-0.3 -2,-0.4 2,-0.3 0.580 59.9 4.6-124.9 -22.9 49.5 3.5 36.4 25 42 A b E -J 18 0C 9 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.976 61.2-127.6-156.6 167.2 48.9 5.2 33.0 26 43 A G E +J 17 0C 2 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.424 24.5 177.7-107.2-178.1 50.6 6.9 30.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.951 24.2-113.4-171.7 176.2 49.8 10.2 28.4 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.5 -2,-0.3 2,-0.5 -0.992 18.5-131.1-130.8 136.2 51.1 12.5 25.7 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.730 26.6 173.2 -85.7 126.0 52.6 16.0 26.0 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.500 69.5 -7.6-111.4 -8.8 50.8 18.3 23.5 31 48 A N E > S- L 0 34C 48 3,-1.0 3,-0.7 70,-0.1 -1,-0.3 -0.921 92.7 -77.9-168.1 174.7 52.4 21.7 24.6 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.625 126.8 30.1 -66.2 -10.2 54.7 22.7 27.5 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.426 109.0 67.1-126.2 2.7 51.9 22.7 30.1 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.0 -0.985 48.4-172.3-133.2 144.2 49.3 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.6 -2,-0.4 2,-0.4 -0.916 14.4-145.4-124.1 147.1 49.1 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.2 -0.942 33.5 145.2-116.4 137.2 46.3 14.3 27.1 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.733 50.5 -64.6-148.3-165.0 45.5 10.9 28.6 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.3 -0.736 33.4-129.2 -99.2 144.1 42.4 8.8 29.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.863 107.8 59.1 -58.2 -37.8 39.5 9.7 31.3 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.489 93.3 67.6 -74.7 3.8 39.5 6.4 33.1 41 58 A b G < S+ 0 0 5 -3,-2.2 -1,-0.3 -15,-0.0 -2,-0.2 0.329 77.3 126.6 -97.3 3.3 43.1 7.1 34.2 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.334 21.7 135.2 -65.0 139.8 41.8 10.0 36.4 43 60 A K - 0 0 56 -2,-0.1 3,-0.2 3,-0.0 2,-0.2 -0.938 52.5-102.4-168.5 164.4 42.8 10.1 40.1 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.566 96.9 45.1 -95.5 166.8 43.9 12.8 42.4 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.958 73.9 166.3 71.3 49.4 47.5 13.2 43.4 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.831 21.5-165.9-102.8 137.7 49.0 12.7 39.9 47 64 A Q E -KN 19 66C 54 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.981 15.9-142.4-118.6 129.4 52.7 13.5 39.2 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.5 2,-0.6 -0.813 11.4-157.0 -96.6 130.9 53.5 13.6 35.5 49 65AA R E -KN 17 64C 50 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.953 12.3-175.3-117.2 115.2 56.9 12.2 34.7 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.6 -2,-0.6 -34,-0.1 -0.636 61.6 28.9-102.9 158.6 58.5 13.5 31.5 51 69 A G S S+ 0 0 5 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.710 84.1 150.4 61.9 26.1 61.8 12.3 29.8 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.504 22.3 152.8 -89.1 155.4 61.6 8.9 31.3 53 71 A D S S+ 0 0 16 1,-0.5 2,-0.8 4,-0.3 -1,-0.2 0.234 81.9 33.8-139.3 -77.7 63.0 5.6 29.9 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.9 3,-0.2 -1,-0.5 -0.752 73.8-163.5 -83.6 114.7 63.7 3.4 32.9 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.526 85.5 53.5 -78.6 -3.7 60.8 4.4 35.2 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.411 106.4 56.1-107.3 -2.8 62.5 2.9 38.3 57 75 A V S < S- 0 0 71 -3,-0.9 2,-1.0 76,-0.2 -4,-0.3 -0.999 75.5-134.1-132.7 133.3 65.9 4.6 37.8 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.741 37.3 163.5 -84.5 106.0 66.6 8.4 37.7 59 77 A E - 0 0 107 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.539 55.8 -90.3-101.3 -11.8 69.0 8.3 34.7 60 78 A G S S+ 0 0 34 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.157 102.9 68.3 111.8 153.3 68.8 12.0 33.9 61 79 A N + 0 0 66 1,-0.3 -9,-0.1 -2,-0.1 2,-0.1 0.078 69.8 129.8 89.9 -15.8 66.4 13.9 31.5 62 80 A E - 0 0 31 -11,-0.1 2,-0.4 -13,-0.1 -1,-0.3 -0.366 37.2-172.1 -68.0 145.9 63.5 13.3 33.8 63 81 A Q E -N 50 0C 38 -13,-1.6 -13,-2.8 -3,-0.1 2,-0.6 -0.984 7.6-160.0-137.9 126.0 61.3 16.2 34.9 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.963 18.2 171.9-112.4 120.4 58.7 15.4 37.6 65 83 A I E -N 48 0C 19 -17,-2.9 -17,-3.3 -2,-0.6 2,-0.2 -0.991 28.8-124.4-132.7 139.8 55.8 17.9 37.6 66 84 A S E -N 47 0C 48 -2,-0.4 25,-3.1 -19,-0.2 26,-0.3 -0.501 28.9-112.9 -80.8 151.8 52.6 17.8 39.6 67 85 A A E -O 90 0C 21 -21,-2.1 23,-0.3 23,-0.2 -21,-0.1 -0.663 20.2-162.8 -80.9 138.2 49.3 18.1 37.8 68 86 A S E S- 0 0 79 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.856 75.3 -9.7 -89.1 -43.9 47.5 21.4 38.7 69 87 A K E -O 89 0C 86 20,-1.1 20,-3.1 -25,-0.0 2,-0.4 -0.991 56.6-147.7-152.9 153.8 44.2 20.1 37.4 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.977 12.9-158.7-122.3 133.5 42.8 17.2 35.4 71 89 A I E -O 87 0C 30 16,-3.2 16,-1.9 -2,-0.4 2,-0.2 -0.907 5.1-161.7-119.7 100.7 39.7 17.8 33.1 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.571 40.4 -92.8 -78.0 144.9 37.8 14.6 32.3 73 91 A H > - 0 0 21 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.387 33.2-129.3 -59.4 131.9 35.5 15.0 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.767 107.7 47.5 -56.4 -28.7 32.0 16.1 30.6 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.141 77.9 139.4-101.7 20.0 30.4 13.4 28.6 76 94 A Y < - 0 0 56 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.470 39.5-156.1 -63.6 130.3 32.8 10.6 29.6 77 95 A N B >> -P 82 0D 63 5,-2.2 4,-2.7 -2,-0.2 5,-0.5 -0.941 7.4-161.9-112.5 109.6 30.7 7.5 30.2 78 96 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.648 88.8 53.1 -67.3 -13.1 32.5 5.0 32.6 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.802 124.7 22.1 -91.8 -30.2 30.3 2.1 31.4 80 98 A T T 45S- 0 0 66 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.643 93.1-133.5-106.1 -18.1 30.9 2.4 27.7 81 99 A L T ><5 + 0 0 32 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.640 49.2 158.4 70.4 21.8 34.2 4.3 27.8 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.577 65.9 18.6 -74.4 141.6 32.7 6.6 25.2 83 101 A N T 3 S+ 0 0 21 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.884 80.2 174.0 65.0 44.9 34.6 10.0 25.3 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.472 31.8 114.2 -83.6 76.2 37.6 8.5 27.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.991 36.8 179.1-144.0 148.0 39.8 11.5 27.1 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.986 17.2-144.5-147.5 148.3 41.2 13.8 29.8 87 105 A L E -MO 36 71C 0 -16,-1.9 -16,-3.2 -2,-0.3 2,-0.4 -0.924 11.8-159.4-115.9 142.0 43.5 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.2 -2,-0.4 2,-0.4 -0.990 6.2-150.4-123.7 131.2 46.0 17.4 32.6 89 107 A K E -MO 34 69C 47 -20,-3.1 -21,-3.1 -2,-0.4 -20,-1.1 -0.837 19.6-130.4 -99.8 138.6 47.4 20.9 33.2 90 108 A L E - 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