==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-99 1C5R . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 70 31.4 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 . 13 5.8 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 1 6 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,-0.2 0.000 360.0 360.0 360.0 133.5 51.9 14.3 49.1 2 17 A V B +A 171 0A 8 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.934 360.0 6.4-114.2 135.9 54.2 14.2 52.0 3 18 A G S S+ 0 0 52 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.728 102.6 117.6 66.4 28.0 55.9 10.9 53.1 4 19 A G - 0 0 30 -3,-0.2 2,-0.3 134,-0.1 134,-0.2 -0.208 57.5-117.4-106.6-163.9 54.5 9.0 50.0 5 20 A Y E -B 137 0B 96 132,-2.9 132,-3.1 -2,-0.1 2,-0.4 -0.885 31.5 -83.3-137.1 169.9 56.3 7.4 47.2 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.609 36.3-151.2 -74.2 128.8 56.7 7.7 43.4 7 22 A a - 0 0 19 128,-1.7 -1,-0.2 -2,-0.4 2,-0.1 0.913 35.7-112.8 -67.9 -47.7 53.8 5.8 41.9 8 23 A G > - 0 0 28 127,-0.4 3,-1.4 -3,-0.1 4,-0.3 -0.083 50.1 -56.0 117.1 143.1 55.5 4.8 38.7 9 24 A A T 3 S- 0 0 49 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.270 118.7 -10.0 -54.8 125.4 54.4 6.1 35.3 10 25 A N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.802 88.7 126.5 53.6 41.4 50.8 5.6 34.6 11 26 A T S < S+ 0 0 80 -3,-1.4 -2,-0.1 1,-0.2 3,-0.1 0.575 76.1 50.2 -96.1 -14.0 50.0 3.3 37.5 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.646 74.7 173.8-119.2 70.1 47.1 5.6 38.6 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.610 71.1 57.0 -64.9 -14.5 45.5 5.7 35.1 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.0 -3,-0.1 2,-0.2 0.385 81.2 114.3 -93.0 -1.9 42.4 7.7 36.3 15 30 A Q E < -J 28 0C 6 -3,-2.4 36,-0.5 13,-0.2 37,-0.4 -0.573 46.6-169.6 -78.1 138.5 44.5 10.5 37.7 16 31 A V E -JK 27 50C 0 11,-2.2 11,-1.2 -2,-0.2 2,-0.4 -0.849 17.3-147.4-123.3 154.6 44.1 13.9 36.1 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.3 -2,-0.3 2,-0.5 -0.995 15.0-146.8-122.9 129.2 46.0 17.2 36.3 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.2 -2,-0.4 7,-1.1 -0.847 22.5-169.6 -98.5 133.0 43.9 20.5 35.8 19 34 A N E +JK 23 47C 24 28,-2.6 28,-1.9 -2,-0.5 4,-0.2 -0.994 30.4 173.3-130.1 132.6 46.1 23.1 34.1 20 37 A S S S- 0 0 33 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.394 97.2 -45.8-128.8 46.4 45.4 26.7 33.6 21 38 A G S S+ 0 0 69 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.291 141.2 29.1 106.6 -11.0 48.9 27.4 32.2 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.898 102.9 -81.9-166.5 162.1 50.4 25.4 35.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.625 52.0 157.0 -75.5 128.2 49.2 22.5 37.2 24 41 A F E + 0 0 30 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.571 59.7 9.3-127.3 -26.4 46.9 23.7 40.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.978 61.3-127.4-151.1 165.2 44.6 20.7 41.0 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.482 27.6 178.4-103.3 175.6 44.2 16.9 40.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.934 24.2-114.9-165.5 175.0 41.0 15.2 39.4 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -0.982 18.5-132.2-127.2 138.9 39.6 11.7 38.6 29 46 A L E + L 0 35C 1 -15,-2.0 74,-2.2 -2,-0.4 6,-0.2 -0.776 25.0 175.8 -88.0 124.4 38.3 10.5 35.2 30 47 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.615 68.5 -15.1-106.2 -15.7 35.0 8.7 35.8 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-1.3 70,-0.1 -1,-0.4 -0.904 89.6 -74.3-171.8 167.0 34.1 8.0 32.1 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.659 128.2 30.9 -45.6 -31.0 35.4 9.2 28.7 33 50 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.441 110.9 66.2-110.9 -2.9 33.7 12.6 28.9 34 51 A W E < -LM 31 89C 5 -3,-1.3 -4,-2.5 55,-0.2 -3,-1.1 -0.975 45.7-176.5-134.0 142.9 33.7 13.5 32.6 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.948 13.6-150.9-125.9 144.8 36.0 14.3 35.5 36 53 A V E +LM 28 87C 1 -8,-2.2 -8,-2.2 -2,-0.3 2,-0.2 -0.907 30.2 147.7-115.2 143.5 35.2 15.0 39.2 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.1 -2,-0.4 2,-0.3 -0.768 51.8 -61.2-152.0-163.4 37.5 17.2 41.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.736 32.6-133.2 -97.2 141.3 37.0 19.7 44.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.847 106.4 64.8 -59.4 -32.9 34.8 22.7 43.9 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.583 93.2 62.5 -69.3 -5.9 37.5 24.8 45.5 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.327 76.6 138.0 -96.4 2.3 39.6 24.1 42.4 42 59 A Y < + 0 0 132 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.310 20.2 153.1 -54.7 131.2 37.0 25.9 40.3 43 60 A K - 0 0 59 0, 0.0 2,-0.3 0, 0.0 3,-0.3 -0.939 44.6-119.9-154.3 153.5 38.6 28.2 37.6 44 61 A S S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.765 95.3 37.4 -95.8 144.9 37.4 29.4 34.3 45 62 A G S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.941 76.1 169.3 81.2 50.2 39.8 28.2 31.4 46 63 A I - 0 0 11 -3,-0.3 21,-1.8 -26,-0.1 2,-0.4 -0.739 21.9-163.6 -98.8 145.0 40.8 24.7 32.5 47 64 A Q E -KN 19 66C 52 -28,-1.9 -28,-2.6 -2,-0.3 2,-0.4 -0.987 17.0-142.9-123.0 132.2 42.6 22.2 30.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.9 -2,-0.4 2,-0.5 -0.827 11.4-158.1 -98.7 133.3 42.5 18.6 31.6 49 66 A R E -KN 17 64C 49 -32,-2.3 -32,-1.9 -2,-0.4 2,-0.3 -0.986 10.8-174.2-121.2 119.9 45.6 16.6 31.1 50 67 A L E +KN 16 63C 3 13,-3.2 13,-1.9 -2,-0.5 -34,-0.1 -0.717 61.7 34.1-108.2 154.1 45.3 12.7 31.1 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 48,-0.3 2,-0.2 0.751 83.2 154.1 70.0 30.5 48.2 10.1 30.9 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.628 22.2 146.9 -93.9 150.4 50.5 12.2 32.9 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.7 -2,-0.2 82,-0.4 0.288 81.1 32.3-139.0 -74.3 53.4 11.2 35.0 54 72 A N S > S- 0 0 28 3,-0.2 3,-0.9 80,-0.2 -1,-0.4 -0.820 72.9-162.3 -89.3 115.0 56.1 14.0 34.7 55 73 A I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.574 85.4 52.4 -78.3 -5.6 54.0 17.2 34.3 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.427 106.0 60.0-104.6 -2.8 56.8 19.2 32.9 57 75 A V S < S- 0 0 71 -3,-0.9 2,-1.0 76,-0.2 -4,-0.2 -0.992 74.7-135.6-127.6 129.0 57.8 16.7 30.2 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.708 29.9 172.7 -81.7 108.9 55.8 15.4 27.3 59 77 A E - 0 0 98 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.532 53.3 -98.2 -95.5 -6.8 56.7 11.7 27.5 60 78 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.199 103.2 82.9 113.3 -20.2 54.2 10.4 24.8 61 79 A N + 0 0 61 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.194 65.6 116.0-106.0 21.7 51.1 9.1 26.8 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.544 42.4-168.7 -95.7 157.8 49.2 12.4 27.3 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.2 -2,-0.2 2,-0.5 -0.973 9.8-163.9-136.6 124.9 45.9 13.7 26.1 64 82 A F E +N 49 0C 72 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.986 18.4 171.6-113.0 110.0 45.3 17.5 26.8 65 83 A I E -N 48 0C 21 -17,-2.9 -17,-3.4 -2,-0.5 2,-0.1 -0.984 27.6-127.9-127.3 137.5 41.5 18.3 26.4 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.6 -19,-0.3 26,-0.3 -0.498 27.3-112.1 -81.6 153.8 39.8 21.5 27.3 67 85 A A E -O 90 0C 24 -21,-1.8 23,-0.3 23,-0.2 3,-0.1 -0.617 18.5-164.4 -83.1 143.8 36.7 21.6 29.5 68 86 A S E S- 0 0 67 21,-2.4 2,-0.3 1,-0.4 22,-0.2 0.656 75.3 -5.8 -99.3 -27.1 33.4 22.5 27.8 69 87 A K E -O 89 0C 88 20,-1.1 20,-2.7 2,-0.0 -1,-0.4 -0.961 55.8-150.1-165.8 154.7 31.7 23.1 31.2 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.954 9.0-163.5-128.1 143.5 32.2 22.9 34.9 71 89 A I E -O 87 0C 33 16,-2.7 16,-2.3 -2,-0.3 2,-0.3 -0.985 6.7-157.8-130.9 114.7 29.4 22.3 37.5 72 90 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.699 42.2 -87.2 -91.6 148.6 30.1 23.1 41.1 73 91 A H > - 0 0 20 12,-2.1 3,-2.1 -2,-0.3 -1,-0.1 -0.330 36.3-124.0 -55.5 131.0 27.9 21.3 43.6 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.721 109.0 41.9 -48.7 -29.9 24.7 23.4 44.1 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.129 78.1 141.4-109.2 23.2 25.3 23.4 47.9 76 94 A Y < - 0 0 56 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.488 34.1-161.8 -69.6 133.3 29.1 24.1 48.0 77 95 A N B >> -P 82 0D 66 5,-2.0 4,-2.6 -2,-0.2 5,-0.6 -0.963 6.4-163.9-116.7 104.0 30.0 26.5 50.8 78 96 A S T 45S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.607 87.1 60.6 -68.9 -10.3 33.5 28.0 50.2 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.872 123.2 16.6 -84.7 -40.2 33.6 29.1 53.8 80 98 A T T 45S- 0 0 75 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.588 96.9-128.5-104.0 -17.3 33.3 25.6 55.4 81 99 A L T ><5 + 0 0 30 -4,-2.6 3,-0.8 1,-0.3 2,-0.3 0.676 49.9 161.1 74.4 23.7 34.2 23.6 52.3 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-2.0 1,-0.2 -1,-0.3 -0.622 66.4 16.7 -74.7 134.4 31.1 21.5 52.8 83 101 A N T 3 S+ 0 0 15 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.884 79.3 176.6 67.3 48.8 30.1 19.8 49.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.513 33.3 112.4 -82.9 72.2 33.5 20.4 47.9 85 103 A I - 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.979 37.4-179.9-143.8 148.4 33.0 18.5 44.7 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.980 17.9-140.6-147.2 149.1 32.7 19.7 41.0 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.4 -0.929 12.9-163.7-116.2 141.1 32.2 17.9 37.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.997 6.7-152.5-126.0 124.4 34.1 18.9 34.5 89 107 A K E -MO 34 69C 42 -20,-2.7 -21,-2.4 -2,-0.4 -20,-1.1 -0.808 19.5-128.1 -99.1 141.3 32.8 17.8 31.1 90 108 A L E - O 0 67C 3 -57,-2.7 -23,-0.2 -2,-0.4 3,-0.1 -0.541 8.2-130.6 -89.7 154.4 35.5 17.4 28.3 91 109 A K S S+ 0 0 145 -25,-2.6 2,-0.3 -2,-0.2 -24,-0.1 0.837 97.6 19.7 -70.6 -33.1 35.2 19.0 25.0 92 110 A S S S- 0 0 75 -26,-0.3 2,-0.3 -60,-0.1 -1,-0.1 -0.934 95.0-100.6-133.6 155.3 36.1 15.7 23.3 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.632 42.3-117.6 -80.0 133.4 35.8 12.2 24.8 94 112 A A - 0 0 7 -62,-3.0 2,-0.8 -2,-0.3 -1,-0.1 -0.260 20.7-116.5 -67.4 157.1 39.2 10.9 26.0 95 113 A S - 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