==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-10 3PV4 . COMPND 2 MOLECULE: DEGQ; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA FALLONII; . AUTHOR R.WRASE,H.SCOTT,R.HILGENFELD,G.HANSEN . 281 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 2 0 0 0 0 0 1 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 . 2 3 8 1 2 2 0 0 1 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 . 1 0 0 0 1 0 2 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 6 A M 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.3 -7.9 1.4 -25.6 2 7 A P + 0 0 139 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.002 360.0 173.5 -45.5 151.8 -5.6 -1.6 -24.7 3 8 A S - 0 0 80 1,-0.0 4,-0.2 0, 0.0 0, 0.0 -0.969 39.1-133.4-160.1 160.1 -6.9 -3.8 -21.9 4 9 A M S >> S+ 0 0 37 -2,-0.3 4,-2.2 1,-0.1 3,-0.9 0.559 85.0 91.0-102.5 -11.7 -6.0 -7.1 -20.3 5 10 A A H 3> S+ 0 0 44 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.902 77.3 66.1 -45.5 -48.5 -9.5 -8.6 -20.2 6 11 A P H 3> S+ 0 0 64 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.823 112.5 30.8 -49.2 -40.8 -8.9 -10.2 -23.6 7 12 A V H <> S+ 0 0 30 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.799 115.3 61.0 -86.4 -31.3 -6.2 -12.6 -22.2 8 13 A L H X S+ 0 0 18 -4,-2.2 4,-0.8 2,-0.2 -3,-0.2 0.927 98.6 56.9 -62.5 -47.9 -7.8 -12.7 -18.8 9 14 A K H >< S+ 0 0 153 -4,-3.3 3,-1.3 1,-0.2 -1,-0.2 0.959 109.2 48.2 -38.6 -61.1 -10.9 -14.2 -20.2 10 15 A N H 3< S+ 0 0 98 -4,-0.9 4,-0.3 -5,-0.2 -2,-0.2 0.873 114.3 42.8 -51.9 -48.7 -8.8 -17.0 -21.6 11 16 A I H 3< S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.243 92.7 80.0 -93.9 13.1 -6.8 -17.8 -18.5 12 17 A M S X< S+ 0 0 34 -3,-1.3 3,-1.2 -4,-0.8 -1,-0.2 0.656 76.7 68.5 -94.9 -17.8 -9.5 -17.8 -15.7 13 18 A P T 3 S+ 0 0 40 0, 0.0 51,-0.5 0, 0.0 52,-0.2 0.970 96.2 58.6 -57.5 -48.2 -11.0 -21.2 -16.2 14 19 A A T 3 S+ 0 0 5 -4,-0.3 24,-1.3 49,-0.1 2,-0.5 0.145 87.6 98.0 -70.5 19.0 -7.8 -22.8 -15.0 15 20 A I E < -A 37 0A 1 -3,-1.2 2,-0.4 22,-0.2 22,-0.2 -0.950 54.6-171.8-111.8 135.1 -8.1 -20.9 -11.7 16 21 A V E -A 36 0A 0 20,-2.6 20,-2.4 -2,-0.5 2,-0.3 -0.922 21.8-132.1-125.5 141.6 -9.5 -22.7 -8.7 17 22 A N E -AB 35 62A 6 45,-2.4 45,-1.2 -2,-0.4 2,-0.4 -0.714 26.0-154.0 -84.0 150.2 -10.6 -21.7 -5.2 18 23 A V E -AB 34 61A 0 16,-2.2 16,-2.3 -2,-0.3 2,-0.4 -0.955 10.9-170.8-135.5 114.3 -9.2 -23.9 -2.4 19 24 A A E -AB 33 60A 4 41,-3.1 41,-2.7 -2,-0.4 2,-0.6 -0.890 5.9-161.6-107.7 135.7 -10.7 -24.5 1.0 20 25 A V E -A 32 0A 0 12,-3.1 2,-1.3 -2,-0.4 12,-1.3 -0.792 3.4-166.4-119.2 86.1 -8.9 -26.4 3.7 21 26 A Q E +A 31 0A 54 -2,-0.6 37,-3.9 10,-0.2 36,-0.9 -0.618 36.5 154.9 -68.3 97.3 -11.1 -27.7 6.5 22 27 A G E -AC 30 56A 2 -2,-1.3 8,-2.0 8,-1.0 2,-0.3 -0.866 40.7-134.3-121.4 158.8 -8.2 -28.5 8.8 23 28 A Y E -A 29 0A 159 32,-0.8 6,-0.2 -2,-0.3 3,-0.0 -0.756 28.0-115.4-101.4 162.3 -7.9 -28.8 12.6 24 29 A L - 0 0 80 4,-2.7 31,-0.0 -2,-0.3 32,-0.0 -0.908 43.1-102.9-101.3 124.8 -5.0 -27.1 14.4 25 30 A P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.041 360.0 360.0 -54.3 144.5 -2.8 -29.8 16.0 26 31 A N 0 0 216 -3,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.940 360.0 360.0 -39.8 360.0 -2.9 -30.6 19.8 27 ! 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 28 61 A R 0 0 247 0, 0.0 -4,-2.7 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 124.8 -9.4 -25.9 17.6 29 62 A K E +A 23 0A 135 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.259 360.0 176.5 -74.6 166.9 -10.8 -26.0 14.0 30 63 A F E -A 22 0A 38 -8,-2.0 -8,-1.0 -10,-0.1 2,-0.2 -0.952 26.0-142.4-152.7 174.6 -9.9 -23.6 11.2 31 64 A E E -A 21 0A 76 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.711 18.8-171.0-141.3 91.0 -10.7 -23.1 7.5 32 65 A S E -A 20 0A 32 -12,-1.3 -12,-3.1 -2,-0.2 2,-0.4 -0.630 11.7-172.3 -76.9 138.5 -7.7 -21.8 5.6 33 66 A I E +A 19 0A 76 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -1.000 15.3 144.3-140.6 136.3 -8.6 -20.8 2.1 34 67 A G E -A 18 0A 10 -16,-2.3 -16,-2.2 -2,-0.4 2,-0.3 -0.619 41.4 -92.2-141.9-157.7 -6.5 -19.7 -1.0 35 68 A S E -A 17 0A 5 109,-1.6 14,-0.4 -18,-0.2 2,-0.3 -0.852 34.3-173.6-125.0 166.9 -6.4 -20.0 -4.8 36 69 A G E -A 16 0A 0 -20,-2.4 -20,-2.6 -2,-0.3 2,-0.4 -0.946 14.5-130.9-155.1 170.5 -4.7 -22.5 -7.0 37 70 A V E -AD 15 47A 6 10,-2.5 10,-3.1 -2,-0.3 2,-0.6 -0.994 12.9-133.3-140.1 137.4 -3.9 -23.3 -10.6 38 71 A I E + D 0 46A 3 -24,-1.3 57,-0.3 -2,-0.4 8,-0.2 -0.756 25.3 170.0 -91.0 117.6 -4.3 -26.4 -12.9 39 72 A I E S+ 0 0 36 6,-1.6 -1,-0.2 -2,-0.6 7,-0.1 0.779 74.6 38.0-100.3 -33.6 -1.1 -27.0 -14.8 40 73 A D E > - D 0 45A 50 5,-0.9 5,-2.3 1,-0.1 -1,-0.3 -0.987 61.6-176.1-115.1 116.9 -2.0 -30.5 -16.2 41 74 A P T 5S+ 0 0 32 0, 0.0 51,-0.3 0, 0.0 48,-0.1 0.736 81.6 55.0 -79.5 -24.2 -5.7 -30.8 -17.1 42 75 A N T 5S+ 0 0 135 1,-0.2 47,-0.2 2,-0.1 50,-0.1 0.992 118.4 30.0 -73.1 -61.8 -5.4 -34.5 -18.0 43 76 A N T 5S- 0 0 109 45,-0.1 44,-0.2 2,-0.0 -1,-0.2 0.478 111.3-126.3 -75.0 -1.7 -4.0 -35.8 -14.8 44 77 A G T 5 + 0 0 1 1,-0.2 43,-2.4 42,-0.1 2,-0.5 0.926 41.8 179.6 59.9 50.4 -5.9 -32.9 -13.2 45 78 A V E < -DE 40 86A 8 -5,-2.3 -6,-1.6 41,-0.2 -5,-0.9 -0.737 9.0-168.8 -91.2 125.8 -2.9 -31.5 -11.4 46 79 A I E -DE 38 85A 0 39,-3.3 39,-3.1 -2,-0.5 2,-0.3 -0.893 6.2-154.6-110.7 143.9 -3.4 -28.4 -9.3 47 80 A I E +DE 37 84A 1 -10,-3.1 -10,-2.5 -2,-0.4 2,-0.3 -0.891 26.6 143.8-114.1 152.1 -0.7 -26.2 -7.8 48 81 A T E - E 0 83A 0 35,-1.8 35,-1.2 -2,-0.3 97,-0.2 -0.890 48.3 -53.6-164.5-175.4 -1.1 -24.0 -4.7 49 82 A N E > - E 0 82A 1 -14,-0.4 4,-1.0 -2,-0.3 3,-0.3 -0.481 32.9-136.2 -82.2 149.9 0.6 -22.7 -1.6 50 83 A D T 4 S+ 0 0 13 31,-2.3 4,-0.5 1,-0.2 3,-0.3 0.938 104.4 53.8 -66.5 -44.9 2.3 -24.9 1.0 51 84 A H T 4 S+ 0 0 72 30,-0.2 -1,-0.2 1,-0.2 31,-0.1 0.631 99.4 61.6 -70.3 -16.1 0.8 -23.0 3.9 52 85 A V T 4 S+ 0 0 3 -3,-0.3 -1,-0.2 1,-0.2 -20,-0.2 0.951 109.6 39.2 -74.5 -48.8 -2.8 -23.3 2.7 53 86 A I S >< S+ 0 0 22 -4,-1.0 3,-1.7 -3,-0.3 -1,-0.2 0.385 86.4 126.2 -82.1 0.6 -2.9 -27.1 2.9 54 87 A R T 3 S+ 0 0 98 -4,-0.5 -22,-0.1 1,-0.3 -32,-0.0 -0.473 85.1 5.6 -57.5 128.4 -0.9 -27.0 6.1 55 88 A N T 3 S+ 0 0 81 1,-0.2 -32,-0.8 -2,-0.2 2,-0.5 0.689 92.3 171.4 67.2 24.7 -2.9 -29.0 8.7 56 89 A A B < +C 22 0A 38 -3,-1.7 -34,-0.2 -34,-0.2 -1,-0.2 -0.527 24.1 162.4 -74.0 115.6 -5.4 -30.1 6.1 57 90 A S S S+ 0 0 77 -36,-0.9 2,-0.3 -2,-0.5 -35,-0.3 0.782 80.8 29.3 -87.6 -42.5 -7.9 -32.7 7.3 58 91 A L - 0 0 85 -37,-3.9 2,-0.4 -3,-0.2 -1,-0.3 -0.897 67.2-169.8-119.5 149.1 -10.2 -31.7 4.4 59 92 A I + 0 0 34 -2,-0.3 12,-2.5 12,-0.2 2,-0.4 -0.930 12.2 173.1-145.2 108.0 -9.2 -30.4 1.0 60 93 A T E -BF 19 70A 18 -41,-2.7 -41,-3.1 -2,-0.4 2,-0.6 -0.973 15.8-156.8-129.8 135.9 -11.8 -29.0 -1.4 61 94 A V E -B 18 0A 0 8,-1.7 2,-0.6 -2,-0.4 8,-0.2 -0.919 4.9-155.2-119.8 105.9 -11.4 -27.2 -4.7 62 95 A T E -B 17 0A 6 -45,-1.2 -45,-2.4 -2,-0.6 6,-0.3 -0.681 20.3-142.3 -75.8 119.9 -14.2 -25.0 -6.1 63 96 A L - 0 0 10 4,-1.2 -47,-0.1 -2,-0.6 3,-0.1 -0.243 20.9-113.3 -69.0 171.1 -13.8 -24.8 -9.9 64 97 A Q S S+ 0 0 82 -51,-0.5 -1,-0.1 1,-0.2 54,-0.1 0.852 120.7 52.9 -76.9 -35.3 -14.4 -21.6 -11.8 65 98 A D S S- 0 0 90 -52,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.526 129.0-101.2 -76.9 -8.9 -17.5 -23.1 -13.4 66 99 A G S S+ 0 0 36 1,-0.2 2,-0.8 -3,-0.1 -2,-0.1 0.002 71.2 146.4 121.9 -24.4 -18.6 -24.0 -9.9 67 100 A R - 0 0 87 -5,-0.2 -4,-1.2 1,-0.0 -1,-0.2 -0.244 37.1-152.6 -55.8 93.4 -17.8 -27.7 -9.4 68 101 A R - 0 0 131 -2,-0.8 2,-0.3 -6,-0.3 -6,-0.2 -0.481 29.8-177.1 -58.0 139.8 -16.9 -27.9 -5.7 69 102 A L - 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