==== 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 1O3C . 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) . 9146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 19 8.5 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 . 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 0.000 360.0 360.0 360.0 132.6 52.9 -3.6 25.4 2 17 A V B +A 171 0A 11 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.915 360.0 6.7-109.8 134.4 52.9 -7.3 24.4 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.677 101.5 120.6 69.3 23.4 55.0 -8.4 21.5 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.147 56.4-119.7-100.3-162.8 56.7 -5.0 21.1 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.890 35.1 -81.3-136.5 167.4 60.3 -4.0 21.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.555 36.5-147.1 -71.3 122.8 62.4 -1.7 23.5 7 22 A a - 0 0 17 128,-2.0 -1,-0.1 -2,-0.4 129,-0.1 0.902 34.8-116.1 -59.3 -44.0 62.0 1.8 22.2 8 23 A G > - 0 0 30 127,-0.5 3,-1.6 4,-0.0 4,-0.2 -0.017 50.6 -54.6 112.9 141.4 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.238 117.4 -12.3 -58.2 128.6 66.0 5.9 25.6 10 25 A N T 3 S+ 0 0 38 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.684 89.6 127.9 55.3 30.2 64.1 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.527 75.4 49.5 -87.2 -5.9 63.1 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.2 3,-1.7 87,-0.1 -1,-0.3 -0.697 73.9 174.3-128.5 73.8 59.5 8.8 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.598 71.4 57.9 -65.4 -13.6 60.0 12.3 23.7 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.503 80.5 108.3 -95.1 -4.8 56.3 13.1 24.1 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.496 47.1-174.9 -73.8 136.3 55.5 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.0 11,-1.1 -2,-0.2 2,-0.4 -0.885 20.0-138.4-128.0 162.1 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.969 15.7-141.3-117.4 135.1 54.2 8.4 32.9 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.0 -2,-0.4 7,-1.0 -0.875 29.4-167.1 -98.3 130.5 51.4 9.4 35.3 19 34 A N E +JK 23 47C 17 28,-2.9 28,-2.0 -2,-0.5 4,-0.2 -0.973 36.3 164.2-127.3 136.3 52.7 8.5 38.8 20 37 A S S S- 0 0 37 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.288 96.6 -48.0-137.5 43.2 51.1 8.3 42.3 21 38 A G S S+ 0 0 70 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.409 138.9 30.8 104.3 -3.1 53.9 6.3 44.0 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.901 101.4 -86.1-170.5 164.8 54.0 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 -0.711 49.5 160.8 -83.7 127.8 53.3 4.2 37.3 24 41 A F E + 0 0 32 -6,-2.0 2,-0.3 -2,-0.4 151,-0.3 0.589 60.2 4.2-125.7 -19.6 49.6 3.7 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.8 151,-0.1 -1,-0.4 -0.978 61.6-127.4-158.8 166.1 48.9 5.2 33.2 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.448 26.2 176.8-107.2-177.4 50.7 6.8 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.0 -2,-0.2 2,-0.4 -0.969 24.6-112.1-172.0 176.5 49.9 10.1 28.6 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.5 -0.986 17.8-132.1-129.7 137.5 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.3 -0.771 27.0 173.1 -84.8 121.8 52.7 15.9 26.1 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.557 69.4 -8.4-107.9 -9.2 50.9 18.2 23.6 31 48 A N E > S- L 0 34C 47 3,-1.1 3,-0.5 70,-0.1 -1,-0.3 -0.911 93.0 -77.7-165.0 177.8 52.5 21.6 24.6 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.619 126.3 29.8 -69.2 -10.5 54.7 22.6 27.5 33 50 A Q T 3 S+ 0 0 63 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.419 110.1 69.4-125.3 0.4 51.9 22.8 30.1 34 51 A W E < -LM 31 89C 9 -3,-0.5 -4,-2.3 55,-0.2 -3,-1.1 -0.974 48.4-173.8-130.6 143.7 49.4 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.908 15.4-144.7-123.9 147.5 49.2 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.945 33.5 147.0-116.7 136.7 46.4 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 -0.745 50.1 -67.5-147.6-166.4 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.2 -0.786 33.1-130.7 -99.6 141.7 42.5 8.8 29.2 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.825 106.2 61.9 -57.5 -37.0 39.6 9.8 31.5 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.590 92.3 65.9 -71.5 -3.1 39.6 6.5 33.2 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.425 77.9 129.2 -93.3 1.4 43.2 7.1 34.4 42 59 A Y < + 0 0 123 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.251 19.7 129.1 -60.6 139.2 41.8 10.0 36.6 43 60 A K - 0 0 57 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.938 54.4-100.7-172.1 171.7 42.7 10.2 40.3 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.668 95.5 51.4-103.8 163.4 44.1 12.9 42.5 45 62 A G S S+ 0 0 63 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.894 72.4 164.8 80.0 40.5 47.8 13.0 43.5 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.778 20.4-171.8 -97.1 133.7 49.1 12.7 40.0 47 64 A Q E -KN 19 66C 51 -28,-2.0 -28,-2.9 -2,-0.5 2,-0.5 -0.981 19.0-140.3-118.9 131.0 52.7 13.6 39.4 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.5 -2,-0.5 2,-0.6 -0.808 11.9-155.9 -96.0 132.1 53.6 13.7 35.6 49 65AA R E -KN 17 64C 47 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.945 13.8-177.1-118.3 113.0 57.0 12.2 34.8 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.7 -2,-0.6 -34,-0.1 -0.618 60.1 30.4-102.5 159.7 58.6 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 0.690 84.7 152.2 62.1 27.7 61.9 12.3 29.9 52 70 A E + 0 0 13 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.514 24.4 151.5 -90.5 153.3 61.7 8.8 31.3 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.225 82.0 33.2-137.3 -80.9 63.0 5.6 30.0 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.728 73.3-162.5 -80.1 114.7 63.6 3.3 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.473 85.7 52.8 -78.8 -1.2 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.432 106.4 56.7-109.2 -4.0 62.5 2.9 38.5 57 75 A V S < S- 0 0 71 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.994 75.6-133.8-128.9 134.0 65.9 4.6 38.0 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.760 37.1 163.4 -85.6 110.6 66.7 8.4 37.8 59 77 A E - 0 0 111 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.563 55.7 -89.7-105.1 -13.9 69.1 8.3 34.8 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.199 102.2 69.2 113.4 155.5 68.9 12.0 34.0 61 79 A N + 0 0 67 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.181 69.2 131.7 88.0 -9.1 66.5 13.9 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.425 36.6-171.4 -74.2 147.7 63.6 13.4 33.9 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-2.7 -2,-0.1 2,-0.6 -0.984 6.6-161.6-137.7 126.2 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 -0.972 18.4 171.2-114.4 114.7 58.7 15.4 37.7 65 83 A I E -N 48 0C 14 -17,-2.5 -17,-3.3 -2,-0.6 2,-0.2 -0.979 29.1-125.8-128.0 139.1 55.9 18.0 37.7 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.9 -19,-0.2 26,-0.3 -0.523 29.4-111.1 -82.0 151.6 52.7 17.9 39.7 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.620 19.3-160.6 -79.1 141.7 49.4 18.2 37.8 68 86 A S E S- 0 0 78 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.812 74.9 -14.6 -91.8 -38.4 47.6 21.5 38.6 69 87 A K E -O 89 0C 89 20,-1.0 20,-2.9 2,-0.0 -1,-0.4 -0.965 57.1-143.9-159.5 154.1 44.2 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 -0.980 13.3-156.2-122.8 134.5 42.9 17.2 35.4 71 89 A I E -O 87 0C 33 16,-3.2 16,-1.7 -2,-0.4 2,-0.2 -0.902 5.9-161.2-116.9 98.8 39.8 17.8 33.2 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.548 39.6 -95.0 -76.0 142.7 37.9 14.6 32.4 73 91 A H > - 0 0 21 12,-1.9 3,-1.9 10,-0.3 -1,-0.1 -0.388 33.1-129.0 -59.0 133.9 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.768 106.8 48.3 -60.3 -27.1 32.1 16.1 30.7 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.1 -2,-0.1 0.136 77.5 138.5-100.6 19.8 30.4 13.3 28.7 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.502 38.5-158.5 -65.6 134.2 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 63 5,-2.1 4,-2.4 -2,-0.2 5,-0.6 -0.973 7.1-161.7-116.5 113.3 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.657 88.0 55.9 -72.1 -13.3 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.829 124.1 20.9 -86.9 -35.1 30.5 2.0 31.6 80 98 A T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.635 94.9-133.0-104.3 -18.1 31.1 2.2 27.9 81 99 A L T ><5 + 0 0 31 -4,-2.4 3,-0.8 1,-0.3 2,-0.3 0.691 48.5 159.9 68.7 27.0 34.4 4.2 28.0 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.613 65.5 18.4 -77.6 141.1 32.9 6.5 25.4 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.893 79.7 174.0 63.5 47.3 34.8 9.9 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.477 32.5 115.2 -84.7 75.6 37.7 8.4 27.3 85 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -47,-0.2 2,-0.3 -0.996 37.1 179.7-144.1 144.9 39.9 11.5 27.1 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.984 16.5-145.2-144.2 148.3 41.3 13.7 29.9 87 105 A L E -MO 36 71C 0 -16,-1.7 -16,-3.2 -2,-0.3 2,-0.4 -0.935 12.4-159.1-116.2 141.0 43.6 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.2 -2,-0.4 2,-0.4 -0.986 5.0-151.3-123.5 130.4 46.1 17.5 32.6 89 107 A K E -MO 34 69C 45 -20,-2.9 -21,-3.1 -2,-0.4 -20,-1.0 -0.814 19.1-131.6 -99.4 140.9 47.5 20.9 33.2 90 108 A L E - 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