==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-03 1RXP . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.S.BISACCHI,B.JACOBSON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 17 7.6 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 . 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 120.4 -8.1 8.5 18.9 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.847 360.0 2.9 -98.9 132.3 -10.3 9.3 15.9 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.752 103.1 117.8 67.6 26.4 -11.9 6.4 14.0 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.074 58.2-111.1-102.4-154.0 -10.7 3.8 16.4 5 20 A Y E -B 137 0B 99 132,-2.6 132,-3.1 -3,-0.1 2,-0.6 -0.893 34.8 -86.0-139.7 165.8 -12.5 1.3 18.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.667 37.8-149.8 -76.2 120.9 -12.9 0.8 22.5 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.6 129,-0.1 0.904 34.4-111.3 -57.3 -50.4 -9.9 -1.3 23.6 8 23 A G > - 0 0 26 127,-0.4 3,-1.9 -3,-0.1 4,-0.3 -0.019 48.4 -60.5 116.5 135.4 -11.5 -3.2 26.4 9 24 A A T 3 S- 0 0 46 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.228 117.3 -11.1 -53.1 124.7 -10.5 -2.7 30.0 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.667 91.2 126.6 57.5 28.2 -6.9 -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 0.538 75.2 50.3 -87.1 -7.4 -6.2 -5.0 27.3 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.675 75.0 176.5-127.9 72.6 -3.3 -2.6 26.7 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.589 73.1 55.9 -55.9 -20.0 -1.5 -3.2 30.1 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.480 81.1 107.8 -93.0 -7.2 1.4 -1.0 29.3 15 30 A Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.583 48.4-177.2 -74.7 126.0 -0.7 2.1 28.6 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.3 -2,-0.4 2,-0.4 -0.879 21.6-135.7-122.5 158.5 -0.5 4.8 31.3 17 32 A S E -JK 26 49C 0 32,-2.4 32,-3.0 -2,-0.3 2,-0.6 -0.944 14.8-141.3-111.6 130.9 -2.2 8.1 31.8 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.0 -0.885 26.8-169.6 -91.0 124.9 -0.0 11.1 32.9 19 34 A N E +JK 23 47C 20 28,-2.7 28,-2.5 -2,-0.6 4,-0.2 -0.956 31.3 167.0-125.5 131.0 -2.1 13.1 35.4 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.262 97.7 -45.3-128.9 43.7 -1.5 16.6 36.9 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.201 141.0 27.2 107.9 -8.3 -5.0 17.0 38.4 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.936 102.2 -81.9-171.5 158.1 -6.4 15.8 35.0 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.608 50.9 158.9 -72.5 130.3 -5.2 13.5 32.2 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.495 59.9 3.2-128.4 -12.1 -2.9 15.4 29.9 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.982 62.8-120.1-167.8 160.3 -0.9 12.8 28.0 26 43 A G E -J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.473 27.1-178.0 -99.3 178.0 -0.3 9.1 27.6 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.2 2,-0.4 -0.958 23.1-118.5-165.7 170.0 2.8 7.1 28.3 28 45 A S E -JL 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.986 20.1-132.5-126.8 126.9 4.2 3.5 28.0 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.682 26.6 174.0 -77.3 120.8 5.4 1.5 31.0 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.520 66.6 -10.1-106.2 -9.2 8.8 -0.1 30.1 31 48 A N E > S- L 0 34C 46 3,-1.0 3,-1.0 70,-0.1 -1,-0.3 -0.933 92.2 -71.3-170.7 174.4 9.7 -1.6 33.4 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.700 128.2 21.1 -54.0 -22.8 8.4 -1.5 37.0 33 50 A Q T 3 S+ 0 0 68 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.355 109.0 75.3-132.1 15.0 9.6 2.1 37.6 34 51 A W E < -LM 31 89C 0 -3,-1.0 -4,-2.2 55,-0.2 -3,-1.0 -0.981 47.8-170.7-134.5 138.8 10.1 3.8 34.3 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.9 -2,-0.4 2,-0.4 -0.953 13.0-147.0-125.6 137.3 7.7 5.3 31.8 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.912 32.9 148.4-104.2 134.2 8.5 6.6 28.3 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.3 -0.744 50.4 -66.9-143.3-165.9 6.4 9.5 27.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.733 32.8-133.2 -95.0 141.2 6.9 12.5 24.6 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.844 107.5 64.0 -60.3 -30.1 9.2 15.3 25.6 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.605 93.7 63.5 -71.4 -7.0 6.5 17.8 24.7 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.443 77.2 131.8 -91.8 -3.5 4.4 16.3 27.5 42 59 A Y < + 0 0 132 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.210 19.6 137.3 -55.3 137.4 6.9 17.4 30.1 43 60 A K - 0 0 51 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.924 49.8-103.3-170.3 154.7 5.6 19.2 33.2 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.386 94.9 39.1 -82.6 166.1 6.4 19.1 36.9 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.4 22,-0.1 -1,-0.2 0.902 74.8 173.0 64.4 46.4 4.2 17.3 39.4 46 63 A I - 0 0 8 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.690 19.4-163.8 -89.8 133.9 3.3 14.3 37.3 47 64 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.988 16.5-141.5-114.9 123.2 1.3 11.4 38.8 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.5 2,-0.6 -0.746 12.1-158.2 -87.8 127.9 1.5 8.3 36.7 49 66 A R E +KN 17 64C 51 -32,-3.0 -32,-2.4 -2,-0.5 3,-0.3 -0.934 14.6 178.3-112.7 115.8 -1.8 6.3 36.5 50 67 A L E + N 0 63C 1 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.666 59.1 36.6-110.4 163.3 -1.5 2.6 35.6 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.746 84.7 156.1 67.5 24.7 -4.2 -0.0 35.3 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.595 22.2 147.9 -89.8 141.0 -6.6 2.5 33.9 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.9 4,-0.3 -1,-0.1 0.296 81.2 29.9-124.9 -86.8 -9.6 2.0 31.7 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.3 1,-0.2 -1,-0.4 -0.640 73.9-161.1 -74.4 109.2 -12.2 4.7 32.5 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.612 86.5 53.4 -68.6 -8.0 -9.9 7.5 33.7 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.451 105.8 54.7-104.8 0.7 -12.8 9.2 35.5 57 75 A V S < S- 0 0 76 -3,-1.3 2,-0.7 76,-0.1 -4,-0.3 -0.998 78.8-127.4-135.4 135.4 -13.9 6.3 37.6 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.720 34.1 172.4 -82.9 114.4 -11.9 4.1 40.0 59 77 A E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.411 51.3 -96.4-104.1 -4.3 -12.6 0.7 38.8 60 78 A G S S+ 0 0 60 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.301 104.6 75.5 113.2 -15.9 -10.3 -1.4 40.9 61 79 A N + 0 0 68 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.312 67.0 122.9-113.6 13.0 -7.1 -2.1 38.9 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.304 39.3-169.2 -78.2 152.5 -5.4 1.3 39.2 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.6 -0.950 7.9-165.0-138.7 109.6 -2.0 2.1 40.6 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.928 16.9 169.5 -98.9 118.0 -1.4 5.9 41.1 65 83 A I E -N 48 0C 15 -17,-2.8 -17,-3.0 -2,-0.6 2,-0.1 -0.994 29.0-129.6-134.3 125.6 2.3 6.6 41.6 66 84 A S E -N 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.370 28.1-112.8 -70.1 152.3 4.0 10.0 41.6 67 85 A A E -O 90 0C 18 -21,-2.7 23,-0.3 23,-0.3 -22,-0.1 -0.668 19.3-164.2 -86.4 139.2 7.0 10.6 39.4 68 86 A S E S- 0 0 56 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.704 73.4 -3.9 -91.9 -26.3 10.3 11.2 41.2 69 87 A K E -O 89 0C 78 20,-1.1 20,-2.9 -23,-0.0 2,-0.4 -0.992 55.4-150.1-162.9 157.4 12.0 12.6 38.1 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.978 8.2-161.6-132.5 142.9 11.6 13.3 34.4 71 89 A I E -O 87 0C 37 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.931 6.7-157.3-131.3 105.6 14.4 13.3 31.9 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.586 41.2 -89.8 -77.6 142.2 13.7 15.1 28.6 73 91 A H > - 0 0 22 12,-2.2 3,-2.0 10,-0.3 -1,-0.1 -0.289 34.9-124.4 -52.3 136.4 15.9 13.9 25.7 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.761 108.6 42.6 -56.7 -26.4 19.1 16.0 25.6 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.191 79.0 141.0-107.2 18.1 18.5 16.9 22.0 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.398 32.5-165.3 -63.6 128.2 14.8 17.6 22.1 77 95 A N B >> -P 82 0D 66 5,-2.2 4,-2.3 -2,-0.2 5,-0.6 -0.959 7.3-163.3-117.0 110.7 13.8 20.7 20.0 78 96 A S T 45S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.675 87.2 56.7 -68.5 -17.7 10.3 21.9 20.9 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.892 123.3 21.8 -79.6 -42.1 10.1 23.9 17.7 80 98 A T T 45S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.560 97.3-132.2 -98.7 -14.2 10.7 21.0 15.3 81 99 A L T ><5 + 0 0 30 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.650 48.6 159.9 66.1 19.3 9.7 18.3 17.8 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.2 1,-0.3 -1,-0.3 -0.525 66.3 16.0 -70.7 140.3 12.9 16.4 16.8 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.895 80.1 179.1 60.8 45.8 13.8 13.9 19.6 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.472 35.1 113.3 -79.8 74.8 10.3 14.1 21.1 85 103 A I + 0 0 0 -2,-2.2 -12,-2.2 -47,-0.3 2,-0.3 -0.994 37.3 178.6-147.1 147.1 10.9 11.6 23.9 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.993 18.7-140.1-149.1 147.6 11.1 11.7 27.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.903 14.5-165.4-110.4 139.9 11.6 9.2 30.5 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.7 -2,-0.4 2,-0.4 -0.989 8.1-149.5-125.9 128.6 9.7 9.4 33.8 89 107 A K E -MO 34 69C 35 -20,-2.9 -21,-2.6 -2,-0.4 -20,-1.1 -0.845 15.0-131.8-100.6 136.7 10.7 7.6 36.9 90 108 A L E - 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0 0 29 -88,-1.3 -72,-0.3 -2,-0.5 2,-0.2 -0.976 45.5-111.5-147.1 156.6 2.7 -4.9 32.5 102 120 A S - 0 0 53 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.490 26.1-131.4 -86.6 160.4 5.7 -3.3 30.8 103 121 A I - 0 0 13 -74,-2.5 2,-0.1 -89,-0.2 83,-0.1 -0.903 26.2-114.4-111.9 140.4 6.2 -3.3 27.0 104 122 A S B -c 186 0B 69 81,-0.8 83,-2.5 -2,-0.4 -73,-0.1 -0.442 23.0-119.8 -75.3 147.8 9.5 -4.3 25.6 105 123 A L - 0 0 27 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.515 42.7 -96.5 -78.7 153.4 11.8 -1.9 23.7 106 124 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.379 20.9-161.1 -74.7 153.5 12.5 -2.9 20.1 107 125 A T S S+ 0 0 128 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.607 85.8 26.1 -99.7 -20.3 15.6 -4.8 19.0 108 127 A S S S- 0 0 78 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.946 89.4-104.9-138.8 155.3 15.0 -3.7 15.4 109 128 A c - 0 0 61 -2,-0.3 2,-0.2 -3,-0.1 79,-0.1 -0.595 40.7-118.0 -78.9 141.5 13.2 -0.7 13.8 110 129 A A - 0 0 26 -2,-0.2 2,-0.2 78,-0.1 3,-0.1 -0.524 29.3-128.6 -80.6 149.3 9.8 -1.5 12.3 111 130 A S > - 0 0 82 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.574 30.4 -81.9 -96.1 164.9 9.4 -1.0 8.6 112 132 A A T 3 S+ 0 0 56 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.341 119.0 35.8 -59.2 137.6 6.8 0.8 6.5 113 133 A G T 3 S+ 0 0 52 29,-3.3 -1,-0.3 1,-0.4 30,-0.1 0.029 82.5 131.1 102.1 -26.9 3.8 -1.5 6.1 114 134 A T < - 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