==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JUL-11 3STP . COMPND 2 MOLECULE: GALACTONATE DEHYDRATASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: LABRENZIA AGGREGATA IAM 12614; . AUTHOR S.ESWARAMOORTHY,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH . 390 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 4 1 0 0 1 2 1 2 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 2 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 0 0 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 A M 0 0 106 0, 0.0 2,-0.3 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 118.6 9.9 51.7 -7.7 2 2 A K - 0 0 102 85,-0.2 53,-2.1 86,-0.1 2,-0.3 -0.773 360.0 -97.8-115.2 159.3 12.8 49.3 -8.2 3 3 A I E -A 54 0A 1 83,-2.6 82,-2.7 80,-0.3 51,-0.3 -0.567 34.1-177.0 -74.0 133.0 15.4 47.7 -5.9 4 4 A K E - 0 0 90 49,-3.3 2,-0.3 1,-0.3 50,-0.2 0.768 56.9 -1.2-102.1 -34.1 18.7 49.6 -6.0 5 5 A S E -A 53 0A 39 48,-1.9 48,-2.2 78,-0.1 2,-0.4 -0.991 45.4-142.9-157.1 163.5 21.0 47.6 -3.8 6 6 A V E -A 52 0A 20 -2,-0.3 2,-0.6 46,-0.2 46,-0.2 -0.966 19.9-166.2-132.1 111.3 21.6 44.6 -1.5 7 7 A R E -A 51 0A 98 44,-3.3 44,-3.0 -2,-0.4 2,-0.5 -0.888 7.4-174.8-105.5 113.8 23.8 45.2 1.5 8 8 A T E +A 50 0A 3 -2,-0.6 2,-0.3 42,-0.2 42,-0.2 -0.918 4.4 175.9-113.9 129.6 25.0 42.1 3.3 9 9 A R E -A 49 0A 29 40,-2.3 40,-2.4 -2,-0.5 2,-0.5 -0.968 22.3-142.3-132.3 146.7 27.1 42.1 6.5 10 10 A V E -AB 48 389A 2 379,-2.3 379,-2.5 -2,-0.3 2,-0.6 -0.938 14.9-155.4-109.8 124.8 28.3 39.4 8.8 11 11 A W E -AB 47 388A 2 36,-3.5 36,-1.8 -2,-0.5 2,-0.6 -0.895 7.1-165.2-103.1 119.1 28.3 40.2 12.5 12 12 A T E -AB 46 387A 40 375,-2.2 375,-2.2 -2,-0.6 34,-0.2 -0.920 17.8-131.5-109.6 119.5 30.8 38.3 14.6 13 13 A W E + B 0 386A 24 32,-2.6 373,-0.2 -2,-0.6 32,-0.0 -0.460 31.6 167.0 -68.3 131.5 30.3 38.4 18.4 14 14 A K + 0 0 113 371,-2.8 372,-0.2 -2,-0.2 -1,-0.1 0.152 45.7 100.2-129.6 14.8 33.5 39.2 20.3 15 15 A G S S- 0 0 16 370,-0.7 370,-0.0 1,-0.2 -2,-0.0 -0.200 86.7 -59.2 -90.2-173.8 32.0 39.9 23.7 16 16 A P - 0 0 103 0, 0.0 327,-0.4 0, 0.0 2,-0.3 -0.278 56.1-168.6 -66.4 155.3 31.9 37.5 26.7 17 17 A T - 0 0 63 325,-0.1 327,-0.2 -3,-0.1 328,-0.0 -0.932 31.0 -94.1-140.4 163.8 30.1 34.2 26.3 18 18 A V - 0 0 44 325,-2.3 0, 0.0 -2,-0.3 0, 0.0 -0.708 50.5-113.2 -81.6 120.2 28.9 31.3 28.5 19 19 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 325,-0.0 -0.225 35.7-104.0 -54.9 137.3 31.7 28.6 28.7 20 20 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 17,-0.0 -0.268 36.7-163.5 -62.7 149.0 30.7 25.3 27.0 21 21 A Q - 0 0 131 135,-0.0 3,-0.4 0, 0.0 17,-0.1 -0.935 20.3-107.8-132.0 154.5 29.8 22.4 29.2 22 22 A G S S+ 0 0 61 -2,-0.3 15,-0.1 1,-0.2 159,-0.0 -0.398 97.4 21.8 -81.3 162.2 29.6 18.6 28.4 23 23 A N S S+ 0 0 80 2,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.922 88.3 125.3 44.9 53.0 26.3 16.7 28.1 24 24 A F S S- 0 0 28 -3,-0.4 131,-2.1 1,-0.3 2,-0.3 0.768 75.9 -2.4-105.4 -46.5 24.6 20.0 27.4 25 25 A C - 0 0 9 156,-0.2 -1,-0.3 129,-0.2 156,-0.2 -0.898 69.5-127.5-155.6 120.6 22.8 19.3 24.1 26 26 A T + 0 0 0 154,-1.9 2,-0.3 -2,-0.3 192,-0.2 -0.329 40.3 169.1 -64.4 151.6 22.9 16.2 22.0 27 27 A N > - 0 0 1 191,-0.3 3,-1.9 190,-0.2 4,-0.3 -0.974 49.9 -88.6-158.9 170.1 23.8 16.9 18.4 28 28 A A G > S+ 0 0 37 188,-0.6 3,-0.5 -2,-0.3 189,-0.1 0.702 118.8 59.3 -59.4 -22.0 24.8 15.4 15.0 29 29 A S G > S+ 0 0 26 9,-0.3 3,-2.0 1,-0.2 5,-0.4 0.601 79.1 87.4 -85.5 -9.1 28.5 15.4 15.9 30 30 A D G < S+ 0 0 43 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.832 78.0 66.6 -57.2 -32.2 28.1 13.2 19.0 31 31 A A G < S+ 0 0 86 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.665 94.9 69.5 -63.7 -17.6 28.5 10.2 16.8 32 32 A L S < S- 0 0 88 -3,-2.0 -3,-0.0 -4,-0.1 0, 0.0 -0.135 85.4-127.4 -85.9-171.4 32.1 11.1 16.1 33 33 A W + 0 0 236 -2,-0.0 2,-0.1 2,-0.0 -3,-0.1 -0.130 52.1 147.3-132.5 38.6 34.8 11.0 18.7 34 34 A M - 0 0 152 -5,-0.4 2,-0.1 1,-0.1 4,-0.0 -0.402 44.5-121.0 -74.5 150.6 36.2 14.6 18.4 35 35 A K + 0 0 201 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.438 68.4 29.4 -87.5 164.5 37.6 16.4 21.4 36 36 A G S S- 0 0 68 -2,-0.1 2,-0.5 4,-0.0 -2,-0.0 -0.389 107.2 -2.7 89.2-166.4 36.3 19.7 22.8 37 37 A D > - 0 0 44 1,-0.2 3,-1.7 -2,-0.1 4,-0.2 -0.513 54.8-153.7 -67.9 115.6 32.8 21.3 22.8 38 38 A A T 3 S+ 0 0 41 -2,-0.5 3,-0.3 1,-0.3 -9,-0.3 0.717 95.5 53.9 -63.5 -21.9 30.4 19.0 20.9 39 39 A M T >> S+ 0 0 6 1,-0.2 3,-2.1 2,-0.1 4,-1.6 0.419 77.1 109.1 -91.9 0.3 28.2 22.0 20.0 40 40 A S T <4 S+ 0 0 86 -3,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.854 80.0 41.7 -42.7 -53.9 31.2 23.9 18.5 41 41 A S T 34 S+ 0 0 93 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.487 116.8 50.8 -78.3 -1.9 30.1 23.7 14.9 42 42 A F T <4 S+ 0 0 38 -3,-2.1 -1,-0.2 24,-0.0 -2,-0.2 0.612 81.7 105.7-109.8 -17.5 26.5 24.4 15.7 43 43 A R < - 0 0 32 -4,-1.6 2,-0.7 -3,-0.4 303,-0.2 -0.259 64.1-135.8 -65.3 151.5 26.7 27.6 17.9 44 44 A F + 0 0 17 301,-3.0 305,-0.2 1,-0.1 -1,-0.1 -0.763 47.2 143.1-112.3 84.3 25.6 30.9 16.4 45 45 A H + 0 0 56 -2,-0.7 -32,-2.6 20,-0.1 2,-0.3 0.166 69.7 53.9-104.1 15.9 28.2 33.4 17.4 46 46 A Q E -A 12 0A 69 -34,-0.2 2,-0.3 19,-0.2 -34,-0.2 -0.955 65.7-175.0-141.6 154.9 27.9 35.1 14.1 47 47 A W E -A 11 0A 6 -36,-1.8 -36,-3.5 -2,-0.3 2,-0.4 -0.980 16.4-132.7-150.9 157.7 24.8 36.5 12.2 48 48 A L E -AC 10 64A 0 16,-2.7 16,-1.6 -2,-0.3 2,-0.4 -0.944 10.5-163.4-120.1 136.7 24.0 38.0 8.9 49 49 A T E -AC 9 63A 0 -40,-2.4 -40,-2.3 -2,-0.4 2,-0.5 -0.932 4.9-166.1-114.6 139.7 22.0 41.0 8.0 50 50 A C E -AC 8 62A 0 12,-2.4 12,-3.4 -2,-0.4 2,-0.6 -0.963 2.2-168.3-130.6 114.2 20.7 41.6 4.5 51 51 A E E -AC 7 61A 24 -44,-3.0 -44,-3.3 -2,-0.5 2,-0.6 -0.906 2.5-167.0-108.7 117.8 19.4 45.1 3.6 52 52 A V E -AC 6 60A 0 8,-2.1 8,-2.8 -2,-0.6 2,-0.4 -0.914 12.9-169.4-104.8 117.6 17.5 45.5 0.3 53 53 A E E -AC 5 59A 49 -48,-2.2 -49,-3.3 -2,-0.6 -48,-1.9 -0.877 9.6-147.4-112.9 139.6 17.1 49.2 -0.6 54 54 A T E > -A 3 0A 0 4,-2.2 3,-2.1 -2,-0.4 -51,-0.2 -0.459 38.7 -93.8 -95.0 172.0 14.9 50.7 -3.3 55 55 A E T 3 S+ 0 0 114 -53,-2.1 -52,-0.1 1,-0.3 -1,-0.1 0.798 123.6 57.1 -55.4 -32.0 15.7 53.8 -5.3 56 56 A D T 3 S- 0 0 86 -54,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.375 120.8-104.3 -84.2 5.9 13.7 56.0 -2.9 57 57 A G S < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.400 70.5 145.6 90.9 -4.7 15.8 54.9 0.1 58 58 A T - 0 0 32 -5,-0.0 -4,-2.2 1,-0.0 2,-0.4 -0.462 33.8-155.2 -67.3 139.1 13.3 52.5 1.7 59 59 A I E -C 53 0A 51 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.972 11.8-159.7-126.0 130.9 15.2 49.6 3.3 60 60 A G E -C 52 0A 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.6 -0.849 16.6-141.3-103.8 142.2 14.0 46.1 4.0 61 61 A I E +C 51 0A 10 -2,-0.4 2,-0.2 -10,-0.2 -10,-0.2 -0.909 25.3 167.0-112.9 118.4 15.8 44.0 6.6 62 62 A G E -C 50 0A 0 -12,-3.4 -12,-2.4 -2,-0.6 2,-0.3 -0.663 10.1-170.8-115.9 173.7 16.4 40.3 6.2 63 63 A N E -C 49 0A 2 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.987 12.8-170.5-160.3 167.6 18.8 38.0 8.1 64 64 A A E -C 48 0A 0 -16,-1.6 -16,-2.7 -2,-0.3 228,-0.1 -0.973 11.0-167.8-160.8 151.6 20.3 34.5 8.4 65 65 A A + 0 0 6 226,-0.4 2,-0.2 -2,-0.3 -19,-0.2 0.632 58.4 98.4-117.6 -23.5 22.4 32.5 10.9 66 66 A L S S- 0 0 36 225,-0.3 5,-0.3 1,-0.2 -24,-0.0 -0.514 107.8 -26.3 -73.1 133.7 23.7 29.4 9.0 67 67 A A S >> S- 0 0 48 -2,-0.2 4,-2.5 1,-0.1 3,-0.6 0.782 76.6-168.5 25.8 64.0 27.3 29.7 7.7 68 68 A P H 3> S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.813 76.2 49.6 -44.0 -51.7 27.1 33.6 7.5 69 69 A S H 3> S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.865 115.2 43.9 -64.0 -36.3 30.3 34.3 5.6 70 70 A V H <> S+ 0 0 69 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.915 113.0 50.9 -74.0 -43.7 29.4 31.7 2.9 71 71 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.898 108.6 54.0 -59.2 -40.4 25.8 32.8 2.6 72 72 A K H X S+ 0 0 21 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.912 105.7 52.1 -60.9 -43.6 27.0 36.4 2.2 73 73 A K H X S+ 0 0 122 -4,-1.5 4,-2.8 1,-0.2 5,-0.4 0.893 109.2 50.1 -61.2 -39.8 29.2 35.4 -0.7 74 74 A V H X>S+ 0 0 13 -4,-1.9 4,-2.3 2,-0.2 5,-1.9 0.917 112.7 46.7 -64.6 -43.4 26.3 33.7 -2.4 75 75 A I H <>S+ 0 0 0 -4,-2.3 5,-3.0 3,-0.2 -2,-0.2 0.956 117.0 42.9 -63.0 -50.6 24.1 36.8 -1.9 76 76 A D H <5S+ 0 0 56 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.922 126.5 29.7 -62.4 -48.1 26.8 39.2 -3.1 77 77 A D H <5S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.851 134.2 17.5 -84.0 -38.3 28.1 37.2 -6.1 78 78 A W T <5S+ 0 0 139 -4,-2.3 4,-0.3 -5,-0.4 -3,-0.2 0.878 125.7 32.4-104.0 -51.0 25.0 35.2 -7.3 79 79 A Y T >>> - 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