==== 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 17-MAY-06 2H1U . COMPND 2 MOLECULE: MFLE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 242 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.5 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 1 0 0 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 2 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 0 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 1 P M 0 0 16 0, 0.0 190,-2.1 0, 0.0 189,-1.1 0.000 360.0 360.0 360.0 68.6 -9.5 22.7 36.4 2 2 P F 0 0 54 186,-0.4 31,-0.2 187,-0.4 186,-0.1 -0.760 360.0 360.0 117.3 360.0 -6.7 22.4 35.0 3 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 4 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.7 -11.3 33.2 35.6 5 17 A V B 3 +A 185 0A 10 180,-2.5 180,-2.0 1,-0.2 134,-0.1 -0.756 360.0 10.5 -88.7 135.6 -14.9 33.9 34.4 6 18 A G T 3 S+ 0 0 41 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.789 98.0 141.6 68.4 28.9 -16.1 37.5 35.1 7 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.325 44.9-135.0 -89.7 177.3 -12.7 38.7 36.1 8 20 A T E -B 150 0B 88 142,-2.5 142,-2.7 -2,-0.1 2,-0.3 -0.900 39.4 -86.6-124.7 158.0 -10.9 42.0 35.6 9 21 A E E -B 149 0B 112 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.521 46.0-129.2 -69.0 127.3 -7.3 42.4 34.5 10 22 A A - 0 0 2 138,-2.4 2,-0.2 -2,-0.3 138,-0.1 -0.437 24.7-104.9 -67.2 144.8 -5.0 42.4 37.6 11 23 A Q > - 0 0 68 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.522 36.9-110.5 -62.7 145.3 -2.4 45.1 38.0 12 24 A R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.698 114.3 35.4 -50.9 -29.6 1.1 43.8 37.2 13 25 A N T 3 S+ 0 0 87 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.252 90.2 93.8-117.1 14.9 2.3 44.0 40.8 14 26 A S S < S+ 0 0 56 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.867 96.4 25.8 -74.2 -38.2 -0.9 43.1 42.7 15 27 A W > + 0 0 25 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.598 65.7 164.7-131.3 65.3 -0.3 39.3 43.1 16 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.567 72.8 62.0 -69.1 -8.0 3.5 38.7 43.0 17 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 2,-0.3 0.568 78.7 108.1 -90.5 -8.2 3.3 35.2 44.4 18 30 A Q E < -I 36 0C 5 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.523 49.9-175.1 -70.6 130.9 1.1 34.0 41.4 19 31 A I E -I 35 0C 0 16,-2.1 16,-0.9 -2,-0.3 2,-0.5 -0.835 24.0-128.1-121.1 160.9 3.0 31.7 39.1 20 32 A S E -IJ 34 59C 0 39,-2.2 39,-2.3 -2,-0.3 2,-0.5 -0.958 16.8-154.1-105.2 121.1 2.2 30.0 35.7 21 33 A L E -IJ 33 58C 0 12,-3.2 11,-3.0 -2,-0.5 12,-1.8 -0.891 24.4-179.8 -96.7 124.3 2.8 26.2 35.6 22 34 A Q E -IJ 31 57C 10 35,-2.7 35,-2.3 -2,-0.5 2,-0.3 -0.871 18.8-146.5-127.0 154.7 3.5 25.3 32.0 23 35 A Y E -IJ 30 56C 69 7,-2.6 7,-2.8 -2,-0.3 2,-0.3 -0.915 30.9-100.4-123.4 155.2 4.3 22.1 30.1 24 36 A R E +I 29 0C 53 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.561 38.7 179.1 -76.0 131.8 6.4 21.5 27.0 25 36AA S E > -I 28 0C 54 3,-3.4 3,-2.0 -2,-0.3 2,-0.2 -0.940 58.4 -57.0-139.2 100.3 4.3 21.3 23.9 26 36BA G T 3 S- 0 0 78 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.389 120.8 -15.0 62.1-125.8 6.4 20.7 20.7 27 36CA S T 3 S+ 0 0 133 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.233 135.4 42.4 -90.9 13.9 8.9 23.5 20.3 28 37 A S E < S-I 25 0C 60 -3,-2.0 -3,-3.4 -5,-0.0 2,-0.3 -0.716 80.3 -98.5-145.5-166.6 7.1 25.7 22.9 29 38 A W E -I 24 0C 93 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.935 20.6-156.8-128.6 143.4 5.3 25.9 26.3 30 39 A A E -I 23 0C 27 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.3 -0.978 22.4-121.6-123.7 132.1 1.6 25.9 27.2 31 40 A H E +I 22 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.549 39.2 159.9 -64.7 132.3 0.1 27.2 30.4 32 41 A T E + 0 0 29 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.644 56.6 1.2-122.6 -29.8 -1.8 24.5 32.3 33 42 A a E -I 21 0C 0 -12,-1.8 -12,-3.2 -31,-0.2 -1,-0.4 -0.955 58.6-120.8-154.0 163.2 -2.1 25.6 35.9 34 43 A G E +I 20 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.442 28.9 176.5 -97.7 178.7 -1.5 28.3 38.5 35 44 A G E -I 19 0C 0 -16,-0.9 -16,-2.1 -2,-0.2 2,-0.4 -0.955 27.9-112.4-166.6 175.2 0.5 28.1 41.6 36 45 A T E -IK 18 44C 0 8,-2.8 8,-2.9 -2,-0.3 2,-0.5 -0.989 22.8-131.6-122.7 127.7 1.8 30.1 44.5 37 46 A L E + K 0 43C 0 -20,-2.8 78,-3.4 -2,-0.4 6,-0.2 -0.660 34.6 165.8 -74.6 120.9 5.5 30.8 45.1 38 47 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.600 65.4 15.4-115.3 -20.3 6.0 29.9 48.8 39 48 A R E > S- K 0 42C 94 3,-1.8 3,-1.3 74,-0.1 -1,-0.3 -0.916 88.7-100.2-137.0 167.9 9.8 29.8 49.0 40 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.818 127.9 27.3 -59.4 -24.8 12.4 31.0 46.6 41 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.138 112.8 76.3-123.9 21.1 12.7 27.4 45.4 42 51 A W E < -KL 39 101C 4 -3,-1.3 -4,-2.5 59,-0.2 -3,-1.8 -0.992 50.6-169.1-136.7 135.9 9.2 26.0 46.2 43 52 A V E -KL 37 100C 0 57,-2.2 57,-2.9 -2,-0.4 2,-0.5 -0.957 13.9-145.6-117.8 135.0 5.8 26.3 44.5 44 53 A M E +KL 36 99C 0 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.2 -0.884 36.6 147.2 -97.3 127.8 2.5 25.2 46.0 45 54 A T E - L 0 98C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.3 -0.734 49.7 -70.5-142.8-172.6 0.0 24.0 43.4 46 55 A A >> - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.718 32.3-133.5 -89.2 140.1 -2.8 21.4 43.0 47 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.875 105.9 60.4 -54.3 -40.4 -2.0 17.7 42.9 48 57 A H G >4 S+ 0 0 34 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.709 92.8 67.1 -68.8 -15.1 -4.2 17.2 39.8 49 58 A a G <4 S+ 0 0 10 -3,-1.1 -1,-0.3 1,-0.2 3,-0.2 0.800 106.7 40.1 -71.3 -23.5 -2.1 19.7 37.9 50 59 A V G << S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.125 80.6 103.7-117.0 21.7 0.8 17.2 38.0 51 60 A D < + 0 0 60 -3,-0.8 -1,-0.2 -4,-0.1 2,-0.1 0.857 68.8 80.5 -65.2 -38.3 -1.0 13.9 37.4 52 61 A R S S- 0 0 50 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.468 89.4-122.2 -77.9 147.8 0.2 13.9 33.8 53 62 A E + 0 0 195 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.260 64.7 139.9 -82.1 51.8 3.8 12.7 33.0 54 63 A L - 0 0 76 -2,-1.8 2,-0.6 1,-0.0 -31,-0.0 -0.379 62.0-105.3 -94.1 168.2 4.7 16.0 31.4 55 64 A T - 0 0 92 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.870 47.0-164.6 -90.2 119.3 7.8 18.3 31.4 56 65 A F E -J 23 0C 15 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.788 17.1-178.9-109.9 147.2 6.9 21.2 33.6 57 65AA R E -JM 22 76C 46 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.948 19.6-135.3-131.4 160.5 8.4 24.7 34.1 58 66 A V E -JM 21 75C 0 17,-3.0 17,-2.3 -2,-0.3 2,-0.5 -0.942 11.0-159.7-112.3 138.9 7.4 27.5 36.4 59 67 A V E -JM 20 74C 0 -39,-2.3 -39,-2.2 -2,-0.4 3,-0.3 -0.979 10.4-174.1-117.4 121.5 7.2 31.1 35.3 60 68 A V E + M 0 73C 1 13,-2.2 13,-2.3 -2,-0.5 52,-0.1 -0.762 68.0 33.0-107.4 160.5 7.4 33.8 38.0 61 69 A G S S+ 0 0 4 50,-0.6 2,-0.3 -43,-0.4 10,-0.3 0.778 86.4 151.0 62.7 28.5 6.9 37.5 37.3 62 70 A E + 0 0 20 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.670 17.4 151.6 -91.1 146.7 4.5 36.7 34.6 63 71 A H + 0 0 6 1,-0.3 85,-1.7 -2,-0.3 2,-0.6 0.492 69.6 35.1-132.6 -53.7 1.6 38.9 33.5 64 72 A N B > -O 147 0D 30 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.935 60.1-161.1-113.7 117.3 0.8 38.4 29.8 65 73 A L T 3 S+ 0 0 40 81,-2.7 -1,-0.1 -2,-0.6 82,-0.1 0.675 93.0 45.8 -67.9 -17.7 1.2 34.8 28.5 66 74 A N T 3 S+ 0 0 107 80,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.342 111.2 50.1-109.8 4.4 1.4 36.1 25.0 67 75 A Q S < S- 0 0 48 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.984 85.2-102.4-143.1 149.1 3.8 39.0 25.3 68 76 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.629 31.4-177.6 -69.2 122.3 7.2 39.8 26.8 69 77 A N - 0 0 31 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.547 36.6-126.6 -97.0 -13.8 6.7 41.7 30.0 70 78 A G S S+ 0 0 63 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.585 95.9 75.1 76.9 13.5 10.3 42.2 30.8 71 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.438 62.2 118.6-131.5 -7.9 9.8 40.7 34.3 72 80 A E - 0 0 26 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.343 38.5-166.7 -71.5 145.7 9.6 36.9 33.8 73 81 A Q E -M 60 0C 46 -13,-2.3 -13,-2.2 -2,-0.1 2,-0.4 -0.998 10.7-154.3-124.8 136.2 11.9 34.3 35.2 74 82 A Y E +M 59 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.917 18.2 170.8-113.0 132.2 11.7 30.8 33.9 75 83 A V E -M 58 0C 8 -17,-2.3 -17,-3.0 -2,-0.4 2,-0.1 -1.000 28.4-121.8-144.7 138.0 12.8 27.8 36.0 76 84 A G E -M 57 0C 31 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.360 29.2-112.5 -73.2 161.1 12.5 24.0 35.6 77 85 A V E -N 102 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.870 31.8-179.9 -95.7 120.8 10.8 21.8 38.1 78 86 A Q E + 0 0 111 23,-2.9 2,-0.3 -2,-0.6 24,-0.2 0.790 65.3 13.0 -92.8 -36.0 13.3 19.5 39.9 79 87 A K E -N 101 0C 81 22,-1.5 22,-2.8 2,-0.0 2,-0.5 -0.996 59.1-155.0-148.2 139.1 11.1 17.6 42.2 80 88 A I E -N 100 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 8.7-173.3-118.8 120.4 7.3 17.0 42.6 81 89 A V E -N 99 0C 28 18,-3.1 18,-2.7 -2,-0.5 2,-0.3 -0.921 7.5-170.0-115.6 105.5 5.9 16.1 45.9 82 90 A V E -N 98 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.676 39.6 -93.0 -91.0 146.1 2.2 15.2 45.8 83 91 A H > - 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