==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-06 2FX6 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 17 7.6 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 . 16 7.2 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 0 1 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 0.000 360.0 360.0 360.0 128.8 52.8 -3.6 25.5 2 17 A V B +A 171 0A 11 169,-2.8 169,-2.1 1,-0.2 123,-0.1 -0.894 360.0 7.8-109.1 136.2 52.7 -7.3 24.4 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.672 102.1 120.0 68.8 21.8 54.9 -8.4 21.4 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.128 56.1-118.4-100.0-163.1 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 94 132,-2.5 132,-2.9 -3,-0.1 2,-0.5 -0.907 34.8 -82.9-137.1 165.8 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 -0.570 36.8-149.1 -70.0 119.5 62.4 -1.7 23.6 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.891 35.3-115.3 -58.8 -43.5 62.0 1.8 22.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 0.045 49.0 -55.3 112.1 138.6 65.4 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.176 117.8 -11.5 -53.0 131.3 65.9 5.8 25.7 10 25 A N T 3 S+ 0 0 38 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.677 89.9 127.4 49.2 32.6 64.1 9.0 24.9 11 26 A T S < S+ 0 0 79 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.580 76.6 47.9 -86.4 -10.4 63.1 8.0 21.4 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.697 73.7 173.7-127.9 74.5 59.5 8.8 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.566 71.6 57.6 -67.9 -11.7 60.0 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 80.8 108.5 -97.8 -2.4 56.3 13.1 24.2 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.559 48.0-174.6 -77.3 134.1 55.5 10.0 26.3 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.1 -2,-0.3 2,-0.4 -0.883 19.6-138.1-126.9 161.1 54.8 10.7 30.0 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.963 14.6-142.4-116.7 132.7 54.2 8.3 33.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.4 7,-1.0 -0.887 28.1-168.4-100.4 126.3 51.4 9.3 35.5 19 34 A N E +JK 23 47C 16 28,-2.7 28,-2.2 -2,-0.6 4,-0.2 -0.962 34.8 166.5-123.8 135.5 52.7 8.4 38.9 20 37 A S S S- 0 0 36 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.382 97.0 -48.5-135.8 47.4 51.0 8.1 42.4 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.437 139.9 32.7 97.9 -1.0 53.9 6.2 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.908 102.1 -85.7-172.7 161.0 54.0 3.8 41.2 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.675 49.8 160.0 -78.7 124.5 53.3 4.1 37.4 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 -2,-0.4 151,-0.3 0.593 59.4 3.8-124.3 -16.2 49.5 3.6 36.7 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.980 60.4-127.3-161.1 165.0 48.9 5.2 33.2 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.437 25.5 175.4-106.5-177.5 50.6 6.8 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.955 25.7-112.9-173.6 175.4 49.9 10.2 28.6 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.4 -2,-0.3 2,-0.5 -0.990 19.5-130.2-129.8 136.0 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.726 27.9 173.0 -82.3 123.0 52.7 15.9 26.2 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.537 69.9 -7.2-109.6 -8.7 50.9 18.3 23.7 31 48 A N E > S- L 0 34C 45 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.927 91.5 -79.9-167.0 173.4 52.5 21.6 24.9 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.637 126.8 29.8 -65.5 -12.8 54.7 22.6 27.8 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.361 110.5 70.5-124.7 5.0 52.0 22.7 30.4 34 51 A W E < -LM 31 89C 10 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.2 -0.985 47.6-174.4-134.8 141.9 49.4 20.2 29.1 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.931 15.0-146.1-124.1 144.7 49.1 16.4 28.9 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.2 -0.935 33.4 147.1-113.4 135.3 46.4 14.3 27.3 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.4 -2,-0.4 2,-0.3 -0.728 49.7 -69.2-145.9-165.3 45.5 11.0 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.744 32.3-129.4-100.0 144.6 42.4 8.8 29.3 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.815 107.2 64.2 -61.7 -30.5 39.6 9.7 31.6 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.516 92.2 65.0 -75.3 1.8 39.7 6.3 33.2 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.366 77.3 129.1 -98.4 2.0 43.2 7.2 34.5 42 59 A Y < + 0 0 126 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.331 20.2 130.2 -62.7 137.6 41.8 9.9 36.6 43 60 A K - 0 0 57 -2,-0.0 2,-0.2 3,-0.0 3,-0.2 -0.930 54.4-102.7-170.7 166.7 42.7 10.1 40.4 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.648 96.1 49.3 -99.0 162.8 43.9 12.8 42.6 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.922 72.6 166.3 79.2 44.4 47.6 13.0 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.810 21.0-169.5 -99.8 133.1 49.1 12.7 40.1 47 64 A Q E -KN 19 66C 55 -28,-2.2 -28,-2.7 -2,-0.5 2,-0.5 -0.976 18.2-142.0-115.5 128.2 52.7 13.5 39.5 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.6 -0.823 11.8-156.6 -95.3 130.2 53.6 13.6 35.8 49 65AA R E -KN 17 64C 50 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.955 12.5-174.6-116.9 113.9 57.0 12.2 34.9 50 66 A L E + N 0 63C 2 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.637 60.4 27.8-102.9 158.0 58.6 13.4 31.7 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.729 83.8 151.7 61.2 32.2 61.8 12.2 30.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.561 23.6 153.0 -93.2 155.4 61.6 8.7 31.4 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.217 82.5 33.9-139.0 -79.6 63.0 5.5 30.0 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.728 73.0-163.9 -80.9 114.2 63.6 3.2 33.1 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.554 85.6 53.7 -77.7 -4.3 60.8 4.3 35.5 56 74 A N T 3 S+ 0 0 116 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.459 105.9 56.7-105.0 -5.1 62.5 2.7 38.5 57 75 A V S < S- 0 0 70 -3,-0.9 2,-0.9 76,-0.2 -4,-0.3 -0.995 75.1-134.7-128.2 132.0 65.9 4.5 38.0 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.752 37.2 164.1 -84.4 112.9 66.6 8.3 37.9 59 77 A E - 0 0 107 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.500 55.0 -89.3-107.7 -9.3 69.0 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 -0.126 103.8 67.7 108.9 152.9 68.9 11.9 34.0 61 79 A N + 0 0 71 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.177 69.9 130.4 88.3 -11.2 66.5 13.8 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.443 36.8-171.4 -74.6 145.9 63.6 13.2 34.0 63 81 A Q E -N 50 0C 36 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.5 -0.989 6.3-161.7-135.8 125.1 61.3 16.1 35.0 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.965 17.8 171.2-111.8 120.0 58.7 15.3 37.8 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-3.2 -2,-0.5 2,-0.1 -0.997 29.7-124.8-134.0 136.0 55.9 17.9 37.9 66 84 A S E -N 47 0C 49 -2,-0.4 25,-2.7 -19,-0.2 2,-0.3 -0.440 29.0-112.5 -76.9 153.0 52.7 17.8 39.8 67 85 A A E -O 90 0C 23 -21,-2.2 23,-0.3 23,-0.2 -21,-0.1 -0.698 19.9-162.7 -83.5 138.4 49.4 18.1 38.0 68 86 A S E S- 0 0 80 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.861 74.6 -9.1 -88.2 -44.8 47.6 21.4 39.0 69 87 A K E -O 89 0C 88 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.992 56.2-148.4-151.9 153.7 44.2 20.1 37.6 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.983 13.0-159.6-122.7 133.2 42.8 17.1 35.6 71 89 A I E -O 87 0C 32 16,-3.1 16,-2.1 -2,-0.4 2,-0.3 -0.933 4.6-160.7-120.2 104.2 39.8 17.7 33.4 72 90 A V E -O 86 0C 45 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.615 40.1 -92.7 -81.0 143.9 37.9 14.6 32.5 73 91 A H > - 0 0 23 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.368 34.7-129.8 -56.4 131.7 35.6 15.0 29.4 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.769 106.5 48.4 -57.1 -28.0 32.1 16.1 30.8 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.150 77.5 137.3-100.6 18.4 30.4 13.3 28.7 76 94 A Y < - 0 0 56 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.491 39.5-157.8 -66.2 135.9 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 62 5,-1.9 4,-2.5 -2,-0.1 5,-0.5 -0.973 6.8-161.5-116.8 111.4 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.594 89.2 55.1 -72.2 -9.1 32.7 4.9 32.6 79 97 A N T 45S+ 0 0 146 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.841 124.6 20.5 -90.6 -38.2 30.4 2.0 31.6 80 98 A T T 45S- 0 0 68 -3,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.625 94.1-134.0-102.7 -14.0 30.9 2.3 27.8 81 99 A L T ><5 + 0 0 31 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.666 47.7 159.2 65.5 24.7 34.2 4.3 28.0 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.577 66.5 18.4 -74.1 142.2 32.8 6.6 25.3 83 101 A N T 3 S+ 0 0 20 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.895 80.0 174.4 62.5 45.9 34.7 10.0 25.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.509 32.4 113.8 -83.3 76.8 37.6 8.4 27.3 85 103 A I - 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.994 37.7-179.0-147.1 147.1 39.9 11.5 27.3 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.9 -2,-0.3 2,-0.4 -0.988 16.7-144.1-146.2 146.1 41.3 13.8 30.0 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.4 -0.887 12.9-160.2-111.6 142.2 43.5 16.8 29.9 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.995 5.8-151.3-125.8 130.1 46.1 17.4 32.8 89 107 A K E -MO 34 69C 45 -20,-2.9 -21,-3.0 -2,-0.4 -20,-1.1 -0.845 19.1-131.5-100.9 136.5 47.5 20.9 33.4 90 108 A L E - O 0 67C 1 -57,-2.6 -23,-0.2 -2,-0.4 3,-0.1 -0.592 12.0-126.2 -87.8 148.7 51.0 20.9 34.9 91 109 A K S S+ 0 0 136 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.893 96.8 8.3 -62.4 -41.5 51.8 23.0 38.0 92 110 A S S S- 0 0 66 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.923 96.2 -89.4-134.7 163.9 54.8 24.6 36.0 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.458 38.3-120.8 -75.8 152.1 55.8 24.2 32.4 94 112 A A - 0 0 8 -62,-2.8 2,-0.7 -2,-0.1 -1,-0.1 -0.493 24.6-114.8 -84.4 157.2 58.1 21.5 31.3 95 113 A S - 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