==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-JUN-98 1YYY . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.KRISHNAN,E.ZHANG,K.HAKANSSON,R.K.ARNI,A.TULINSKY,M.S.L.LIM . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9224.0 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 . 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 . 1 0.4 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 . 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 . 3 1 3 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 1 I 0 0 2 0, 0.0 2,-0.5 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 128.3 11.0 3.6 25.2 2 17 1 V B +A 171 0A 9 169,-3.9 169,-2.1 1,-0.2 123,-0.1 -0.941 360.0 10.2-106.4 128.4 11.1 7.3 24.2 3 18 1 G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 167,-0.1 0.631 101.4 117.5 83.8 17.5 9.0 8.3 21.1 4 19 1 G - 0 0 35 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.012 56.5-120.2-105.9-162.8 7.1 5.0 20.9 5 20 1 Y E -B 137 0B 99 132,-2.2 132,-2.9 -3,-0.1 2,-0.2 -0.960 37.5 -80.2-131.0 170.3 3.4 4.0 21.1 6 21 1 T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.395 38.0-148.3 -66.4 128.4 1.3 1.7 23.4 7 22 1 a - 0 0 19 128,-2.5 -1,-0.1 -2,-0.2 129,-0.1 0.931 35.4-114.1 -69.6 -36.9 1.8 -1.8 22.0 8 23 1 G > - 0 0 29 127,-0.5 3,-1.9 4,-0.0 4,-0.3 0.070 47.9 -58.6 104.9 139.3 -1.7 -3.1 22.9 9 24 1 A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.171 117.0 -9.0 -55.6 132.7 -2.2 -5.8 25.5 10 25 1 N T 3 S+ 0 0 31 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.676 91.0 125.1 52.6 24.1 -0.4 -9.1 24.8 11 26 1 T S < S+ 0 0 82 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.565 76.1 47.9 -87.1 -3.0 0.6 -8.1 21.2 12 27 1 V S > S+ 0 0 10 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.765 73.4 173.5-133.4 75.6 4.3 -8.9 22.1 13 28 1 P T 3 S+ 0 0 32 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.633 72.2 58.1 -68.6 -15.1 3.7 -12.3 23.6 14 29 1 Y T 3 S+ 0 0 21 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.542 79.9 111.3 -90.7 -2.6 7.4 -13.0 24.0 15 30 1 Q E < -J 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.510 48.4-169.4 -77.1 134.1 8.2 -9.9 26.1 16 31 1 V E -J 27 0C 0 11,-2.9 11,-1.0 -2,-0.3 2,-0.4 -0.839 16.0-144.2-118.7 161.2 9.1 -10.6 29.8 17 32 1 S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.970 12.5-145.3-113.5 132.3 9.4 -8.4 32.8 18 33 1 L E -JK 25 48C 0 7,-3.2 6,-2.0 -2,-0.4 7,-1.0 -0.882 26.4-168.9 -96.7 130.0 12.2 -9.2 35.3 19 34 1 N E +JK 23 47C 15 28,-3.3 28,-2.0 -2,-0.5 4,-0.2 -0.972 34.1 166.2-126.5 141.8 10.9 -8.3 38.8 20 37 1 S S S- 0 0 37 2,-2.5 3,-0.1 -2,-0.4 26,-0.1 -0.403 96.5 -50.2-133.2 39.1 12.5 -8.0 42.2 21 38 1 G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.423 139.4 34.1 98.1 -0.6 9.6 -6.1 43.9 22 39 1 Y S S- 0 0 136 -4,-0.0 -2,-2.5 0, 0.0 2,-0.3 -0.832 101.8 -87.3-171.1 161.6 9.7 -3.6 41.0 23 40 1 H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.638 49.1 159.8 -81.4 125.5 10.4 -4.0 37.2 24 41 1 F E + 0 0 30 -6,-2.0 2,-0.3 1,-0.5 151,-0.2 0.529 59.6 3.4-125.0 -20.5 14.1 -3.6 36.5 25 42 1 b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.5 -0.960 60.0-128.5-155.3 169.4 14.7 -5.2 33.1 26 43 1 G E +J 17 0C 1 151,-2.3 12,-0.3 -2,-0.3 2,-0.3 -0.202 24.9 175.7-105.6-170.2 13.0 -6.9 30.1 27 44 1 G E -J 16 0C 0 -11,-1.0 -11,-2.9 10,-0.1 2,-0.4 -0.936 25.5-111.7 176.2 163.9 13.8 -10.2 28.4 28 45 1 S E -JL 15 36C 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.5 -0.986 18.1-130.1-120.9 137.1 12.5 -12.5 25.8 29 46 1 L E + L 0 35C 0 -15,-2.6 74,-1.9 -2,-0.4 6,-0.2 -0.592 28.5 171.3 -77.9 122.8 10.9 -16.0 26.1 30 47 1 I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.569 68.2 -6.3-109.9 -15.0 12.7 -18.3 23.6 31 48 1 N E > S- L 0 34C 52 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.887 91.0 -78.8-155.2-170.1 11.2 -21.6 24.7 32 49 1 S T 3 S+ 0 0 43 -2,-0.3 62,-2.6 1,-0.3 60,-0.1 0.622 127.3 28.8 -74.0 -12.2 8.9 -22.8 27.6 33 50 1 Q T 3 S+ 0 0 60 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.487 109.7 67.6-125.0 -1.6 11.7 -22.8 30.1 34 51 1 W E < -LM 31 89C 10 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.2 -0.984 47.3-170.4-133.5 135.2 14.3 -20.2 29.0 35 52 1 V E -LM 29 88C 0 53,-2.8 53,-2.9 -2,-0.4 2,-0.4 -0.943 15.8-144.2-113.9 141.9 14.4 -16.3 28.7 36 53 1 V E +LM 28 87C 0 -8,-2.7 -8,-1.9 -2,-0.4 51,-0.2 -0.830 35.2 147.5 -95.9 144.2 17.2 -14.3 27.0 37 54 1 S E - M 0 86C 0 49,-3.2 49,-1.7 -2,-0.4 2,-0.4 -0.658 48.7 -67.2-157.0-164.0 18.2 -11.0 28.7 38 55 1 A > - 0 0 0 -12,-0.3 3,-2.0 47,-0.3 4,-0.3 -0.872 29.8-133.0-105.5 148.8 21.2 -8.8 29.2 39 56 1 A G > S+ 0 0 3 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.876 107.6 62.1 -60.4 -39.8 24.2 -9.8 31.4 40 57 1 H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.678 92.5 63.7 -64.1 -18.6 24.0 -6.3 33.0 41 58 1 b G < S+ 0 0 5 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.562 78.7 136.5 -76.3 -5.5 20.4 -7.0 34.3 42 59 1 Y < + 0 0 120 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.1 -0.116 20.4 134.0 -53.1 115.4 22.0 -9.8 36.4 43 60 1 K - 0 0 61 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.980 51.3-106.5-151.4 168.9 20.9 -10.0 40.0 44 61 1 S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.427 95.7 44.9 -87.2 154.7 19.7 -12.5 42.6 45 62 1 G S S+ 0 0 65 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.834 75.1 168.8 85.5 28.4 16.0 -12.7 43.6 46 63 1 I - 0 0 12 -3,-0.4 21,-2.6 -26,-0.1 2,-0.4 -0.693 19.6-170.8 -87.7 129.1 14.6 -12.6 40.0 47 64 1 Q E -KN 19 66C 58 -28,-2.0 -28,-3.3 -2,-0.3 2,-0.5 -0.943 19.0-141.6-113.0 121.2 10.8 -13.4 39.3 48 65 1 V E -KN 18 65C 0 17,-2.8 17,-2.6 -2,-0.4 2,-0.5 -0.897 12.7-156.9 -87.1 124.0 10.1 -13.6 35.6 49 66 1 R E -KN 17 64C 52 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.980 12.7-173.6-108.7 114.8 6.7 -12.1 34.8 50 67 1 L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.5 -34,-0.1 -0.657 62.3 24.3-107.3 149.7 5.0 -13.4 31.5 51 69 1 G S S+ 0 0 6 -36,-0.4 -1,-0.2 -38,-0.3 2,-0.2 0.547 83.6 156.3 71.6 28.5 1.9 -12.2 29.8 52 70 1 E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.439 20.1 154.0 -91.5 138.6 2.1 -8.7 31.3 53 71 1 D S S+ 0 0 15 1,-0.5 2,-0.5 4,-0.3 -1,-0.2 0.230 80.8 30.0-117.1 -76.5 0.6 -5.5 29.9 54 72 1 N S S- 0 0 21 80,-0.2 -1,-0.5 1,-0.2 3,-0.5 -0.653 74.1-161.0 -79.4 116.8 0.0 -3.2 32.8 55 73 1 I S S+ 0 0 29 78,-2.9 -1,-0.2 -2,-0.5 79,-0.1 0.502 85.6 53.3 -86.8 3.2 2.8 -4.1 35.3 56 74 1 N S S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.553 104.2 55.8-106.1 -17.3 1.1 -2.6 38.2 57 75 1 V S S- 0 0 74 -3,-0.5 2,-0.7 76,-0.2 -4,-0.3 -0.983 76.0-129.9-118.4 136.8 -2.3 -4.3 37.9 58 76 1 V + 0 0 116 -2,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.716 40.0 161.6 -74.8 120.7 -3.1 -8.0 37.9 59 77 1 E - 0 0 103 -2,-0.7 -1,-0.1 1,-0.3 2,-0.1 0.401 53.9 -87.3-114.1 -25.0 -5.4 -8.1 34.8 60 78 1 G S S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.014 102.4 64.2 121.4 147.7 -5.4 -11.8 33.9 61 79 1 N + 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.176 68.5 129.8 93.8 -7.0 -2.9 -13.7 31.7 62 80 1 E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.449 38.0-167.2 -78.4 155.3 0.1 -13.1 33.9 63 81 1 Q E -N 50 0C 40 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.990 7.0-159.8-132.8 119.7 2.4 -16.1 34.9 64 82 1 F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 19.4 171.4-102.7 114.3 4.8 -15.3 37.7 65 83 1 I E -N 48 0C 12 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.1 -0.996 29.8-124.9-131.6 123.0 7.7 -17.8 37.7 66 84 1 S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.2 2,-0.3 -0.380 30.6-112.1 -60.4 145.8 11.0 -17.7 39.8 67 85 1 A E -O 90 0C 12 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.596 23.1-162.4 -77.1 145.2 14.2 -17.9 37.9 68 86 1 S E S- 0 0 64 21,-4.8 2,-0.3 1,-0.4 22,-0.2 0.859 72.6 -6.3 -93.2 -46.5 15.8 -21.2 38.7 69 87 1 K E -O 89 0C 83 20,-1.3 20,-3.2 -3,-0.1 2,-0.5 -0.980 57.7-146.8-145.9 154.7 19.2 -20.1 37.4 70 88 1 S E -O 88 0C 34 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.971 12.3-162.9-116.5 128.7 20.8 -17.1 35.7 71 89 1 I E -O 87 0C 32 16,-3.7 16,-1.8 -2,-0.5 2,-0.1 -0.785 2.9-163.7-115.9 101.6 23.7 -17.7 33.3 72 90 1 V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.448 40.6 -95.0 -73.5 138.9 25.8 -14.6 32.4 73 91 1 H > - 0 0 24 12,-2.5 3,-1.8 10,-0.3 -1,-0.1 -0.259 32.7-130.6 -55.8 128.6 28.0 -15.0 29.3 74 92 1 P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.723 106.6 50.0 -54.6 -26.4 31.5 -16.1 30.8 75 93 1 S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.164 77.8 136.1 -97.3 5.7 33.1 -13.4 28.6 76 94 1 Y < - 0 0 59 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.430 40.0-157.4 -53.7 135.2 30.8 -10.5 29.6 77 95 1 N B >> -P 82 0D 67 5,-2.2 4,-3.2 -2,-0.2 5,-0.5 -0.928 8.8-161.1-122.5 108.1 32.9 -7.3 30.3 78 96 1 S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.645 89.6 54.6 -69.1 -1.4 31.1 -4.9 32.6 79 97 1 N T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.913 124.6 21.9 -90.6 -47.4 33.3 -2.0 31.4 80 98 1 T T 45S- 0 0 70 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.558 92.9-132.6 -85.9 -19.8 32.7 -2.4 27.7 81 99 1 L T ><5 + 0 0 33 -4,-3.2 3,-0.8 1,-0.2 2,-0.2 0.613 50.4 157.5 63.9 18.5 29.4 -4.3 27.9 82 100 1 N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.2 -0.595 67.2 20.1 -69.9 139.0 30.9 -6.7 25.3 83 101 1 N T 3 S+ 0 0 20 -7,-0.2 2,-1.8 -2,-0.2 -10,-0.3 0.876 80.5 175.0 61.3 49.6 29.0 -10.1 25.5 84 102 1 D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.524 33.9 112.2 -89.0 82.6 26.0 -8.4 27.2 85 103 1 I + 0 0 0 -2,-1.8 -12,-2.5 -47,-0.3 2,-0.3 -0.996 37.7 178.6-153.3 150.0 23.8 -11.5 27.2 86 104 1 M E -MO 37 72C 0 -49,-1.7 -49,-3.2 -2,-0.3 2,-0.4 -0.991 16.9-144.2-154.3 147.6 22.4 -13.8 29.9 87 105 1 L E -MO 36 71C 0 -16,-1.8 -16,-3.7 -2,-0.3 2,-0.4 -0.930 12.3-160.7-117.5 142.9 20.1 -16.8 29.9 88 106 1 I E -MO 35 70C 0 -53,-2.9 -53,-2.8 -2,-0.4 2,-0.5 -0.971 6.6-148.9-129.8 127.4 17.6 -17.4 32.6 89 107 1 K E -MO 34 69C 46 -20,-3.2 -21,-4.8 -2,-0.4 -20,-1.3 -0.862 20.2-128.5 -94.7 135.1 16.0 -20.8 33.3 90 108 1 L E - 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