==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-MAR-12 4E3E . COMPND 2 MOLECULE: MAOC DOMAIN PROTEIN DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 702 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 66.2 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 . 188 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 6 0 2 0 0 0 2 2 0 0 0 0 4 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 . 4 6 4 0 0 0 2 2 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 2 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 3 A S 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.6 -22.9 -30.4 144.4 2 4 A A - 0 0 91 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.003 360.0-157.4 -39.2 131.4 -21.0 -27.3 143.3 3 5 A K + 0 0 189 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.520 63.5 94.3 -90.7 -7.3 -18.8 -25.8 146.1 4 6 A T S S- 0 0 116 1,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.355 76.8-119.1 -91.1 166.4 -18.7 -22.4 144.5 5 7 A N - 0 0 90 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 -0.889 21.1-174.9-107.8 104.0 -20.9 -19.3 145.1 6 8 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.542 38.4-132.0 -75.3 -3.9 -22.8 -18.3 141.9 7 9 A G - 0 0 7 74,-0.1 2,-0.4 2,-0.0 71,-0.2 -0.238 37.8 -57.7 76.4-176.4 -24.2 -15.2 143.6 8 10 A N - 0 0 35 69,-0.3 74,-0.5 70,-0.2 2,-0.2 -0.833 44.7-155.3 -99.4 142.3 -27.8 -14.4 143.4 9 11 A F >> - 0 0 37 -2,-0.4 3,-1.7 138,-0.1 4,-0.5 -0.635 41.5 -91.8-100.7 171.4 -29.7 -13.8 140.2 10 12 A F G >4 S+ 0 0 1 138,-2.8 3,-1.6 1,-0.3 139,-0.2 0.882 125.3 50.3 -53.6 -47.5 -32.8 -11.7 140.1 11 13 A E G 34 S+ 0 0 23 1,-0.3 -1,-0.3 137,-0.1 138,-0.1 0.622 100.1 68.6 -67.4 -13.2 -35.3 -14.5 140.6 12 14 A D G <4 S+ 0 0 46 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.681 81.1 95.1 -78.5 -19.6 -33.3 -15.7 143.6 13 15 A F << - 0 0 3 -3,-1.6 2,-0.4 -4,-0.5 100,-0.0 -0.477 57.3-160.0 -79.6 142.9 -34.2 -12.7 145.7 14 16 A R > - 0 0 156 -2,-0.2 3,-2.4 143,-0.0 96,-0.3 -0.990 27.8-109.1-123.2 129.6 -37.0 -12.7 148.2 15 17 A L T 3 S+ 0 0 93 -2,-0.4 96,-0.2 1,-0.3 98,-0.0 -0.292 105.6 15.4 -51.9 129.1 -38.7 -9.5 149.5 16 18 A G T 3 S+ 0 0 34 94,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.374 89.3 142.8 86.1 -5.2 -37.8 -9.1 153.2 17 19 A Q < - 0 0 58 -3,-2.4 93,-2.4 92,-0.1 2,-0.5 -0.471 41.0-145.0 -70.9 139.8 -34.8 -11.5 153.1 18 20 A T E -A 109 0A 85 91,-0.2 2,-0.5 -2,-0.2 91,-0.2 -0.928 9.9-159.9-104.2 126.4 -31.8 -10.6 155.2 19 21 A I E -A 108 0A 20 89,-3.7 89,-2.5 -2,-0.5 2,-0.7 -0.937 5.8-152.7-107.5 123.3 -28.4 -11.6 153.8 20 22 A V E -A 107 0A 114 -2,-0.5 87,-0.2 87,-0.2 2,-0.1 -0.867 24.5-139.4 -93.7 112.2 -25.4 -11.7 156.2 21 23 A H - 0 0 12 85,-1.8 85,-0.2 -2,-0.7 54,-0.1 -0.384 9.5-118.3 -76.6 151.8 -22.3 -11.0 154.2 22 24 A A S S+ 0 0 67 52,-0.3 84,-0.2 1,-0.1 -1,-0.1 -0.205 75.9 42.5 -76.1 169.8 -19.0 -12.8 154.4 23 25 A T - 0 0 69 1,-0.1 -1,-0.1 82,-0.1 81,-0.1 0.945 61.9-153.1 62.7 63.4 -15.6 -11.3 155.3 24 26 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 81,-0.2 -0.335 21.3-140.3 -60.0 144.2 -15.7 -9.0 158.1 25 27 A R E -L 104 0B 30 79,-2.6 79,-2.1 2,-0.0 2,-0.4 -0.928 14.8-150.8-129.5 116.7 -12.9 -6.5 157.8 26 28 A T E -L 103 0B 68 -2,-0.5 2,-0.5 77,-0.3 77,-0.3 -0.643 24.6-143.0 -77.0 127.4 -10.5 -4.9 160.3 27 29 A I + 0 0 0 75,-3.0 74,-4.1 -2,-0.4 75,-0.4 -0.829 26.3 179.7 -99.6 127.0 -9.4 -1.6 159.0 28 30 A T >> - 0 0 61 -2,-0.5 4,-1.9 72,-0.3 3,-0.8 -0.692 47.2 -95.3-122.5 176.3 -5.8 -0.6 159.7 29 31 A E H 3> S+ 0 0 93 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.765 122.7 62.5 -61.6 -25.5 -3.3 2.1 159.1 30 32 A G H 3> S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.873 102.9 48.4 -66.9 -37.0 -2.2 0.1 156.1 31 33 A D H <> S+ 0 0 12 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.913 109.7 53.2 -66.1 -42.7 -5.6 0.7 154.6 32 34 A V H X S+ 0 0 28 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.920 110.5 45.7 -56.4 -47.0 -5.4 4.4 155.4 33 35 A A H X S+ 0 0 62 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 112.2 50.8 -68.8 -40.2 -2.0 4.8 153.6 34 36 A L H X S+ 0 0 56 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.910 109.4 50.5 -60.2 -46.4 -3.2 2.8 150.6 35 37 A Y H >X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.924 111.2 49.3 -58.6 -46.6 -6.3 4.9 150.2 36 38 A T H 3X S+ 0 0 60 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.917 111.3 50.0 -54.4 -43.5 -4.2 8.0 150.4 37 39 A S H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.650 113.1 46.6 -75.0 -16.6 -1.8 6.6 147.7 38 40 A L H << S+ 0 0 16 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.768 129.8 16.9 -97.5 -30.0 -4.7 5.8 145.4 39 41 A Y H < S- 0 0 13 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.632 85.0-135.3-118.2 -18.2 -6.7 9.0 145.6 40 42 A G < - 0 0 42 -4,-2.6 -4,-0.1 -5,-0.4 -3,-0.1 0.761 32.6-176.4 70.1 26.4 -4.3 11.7 147.0 41 43 A S - 0 0 7 -6,-0.3 -1,-0.2 1,-0.1 217,-0.1 -0.338 14.3-171.9 -63.3 130.4 -6.9 13.0 149.4 42 44 A R + 0 0 156 216,-0.3 -1,-0.1 -2,-0.1 5,-0.1 0.329 32.1 139.2-104.8 7.1 -5.5 16.1 151.3 43 45 A F >> - 0 0 2 1,-0.1 4,-1.1 224,-0.1 3,-0.7 -0.318 51.1-139.7 -57.9 128.1 -8.4 16.6 153.8 44 46 A A H 3> S+ 0 0 10 145,-0.3 4,-1.6 221,-0.3 8,-0.3 0.810 92.6 66.3 -66.7 -32.3 -6.7 17.4 157.0 45 47 A L H 34 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 7,-0.2 0.879 109.4 36.4 -55.7 -43.0 -9.0 15.4 159.3 46 48 A T H <4 S+ 0 0 26 -3,-0.7 -1,-0.2 222,-0.2 -2,-0.2 0.731 116.0 54.0 -87.2 -20.2 -7.9 12.0 157.8 47 49 A S H < S+ 0 0 75 -4,-1.1 2,-0.5 1,-0.2 -2,-0.2 0.712 106.3 48.0 -87.2 -22.8 -4.2 12.9 157.3 48 50 A S X - 0 0 42 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 -0.951 52.4-165.2-132.5 117.8 -3.3 14.1 160.8 49 51 A T H > S+ 0 0 45 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.944 98.0 50.0 -60.3 -47.1 -3.9 12.5 164.2 50 52 A P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.898 110.3 50.8 -62.4 -35.2 -3.1 15.7 166.1 51 53 A F H > S+ 0 0 15 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.955 113.0 45.8 -61.6 -48.3 -5.4 17.7 163.8 52 54 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.9 -8,-0.3 3,-1.1 0.901 111.4 52.7 -62.0 -40.7 -8.2 15.2 164.4 53 55 A Q H ><5S+ 0 0 95 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.840 99.8 61.1 -65.4 -32.9 -7.5 15.2 168.2 54 56 A S H 3<5S+ 0 0 38 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.679 103.0 53.6 -67.3 -15.8 -7.8 19.0 168.3 55 57 A L T <<5S- 0 0 2 -3,-1.1 123,-2.8 -4,-0.6 -1,-0.3 0.328 129.0-100.2 -97.7 5.1 -11.4 18.4 167.1 56 58 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.547 79.6 132.8 91.9 9.0 -12.0 16.0 170.0 57 59 A L < - 0 0 13 -5,-1.9 -1,-0.3 -6,-0.1 3,-0.1 -0.503 65.3-119.3 -85.4 160.4 -11.6 12.7 168.1 58 60 A E S S- 0 0 134 1,-0.2 2,-0.3 -2,-0.2 -5,-0.1 0.871 84.2 -38.6 -64.4 -39.7 -9.4 9.8 169.4 59 61 A R S S- 0 0 81 -7,-0.1 -1,-0.2 -11,-0.0 -10,-0.1 -0.902 97.2 -40.2-170.9-179.2 -7.1 9.9 166.4 60 62 A A - 0 0 12 -2,-0.3 -14,-0.1 -3,-0.1 -11,-0.1 -0.421 66.8-133.3 -62.3 131.4 -7.5 10.5 162.8 61 63 A P - 0 0 13 0, 0.0 38,-0.2 0, 0.0 2,-0.2 -0.431 24.3 -92.1 -80.8 159.2 -10.7 8.7 161.6 62 64 A I - 0 0 8 36,-2.8 36,-0.3 1,-0.1 5,-0.0 -0.476 54.8 -93.9 -62.5 136.6 -11.0 6.4 158.6 63 65 A D >> - 0 0 13 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.329 30.6-127.9 -52.9 131.9 -12.1 8.4 155.5 64 66 A S H 3> S+ 0 0 26 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.837 110.4 50.8 -52.8 -38.4 -16.0 8.1 155.2 65 67 A L H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.832 105.6 54.0 -74.2 -31.1 -15.6 7.0 151.6 66 68 A L H <> S+ 0 0 1 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.939 111.0 47.9 -61.5 -46.5 -13.1 4.3 152.6 67 69 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.932 112.0 51.0 -53.3 -49.7 -15.7 3.1 155.1 68 70 A F H X S+ 0 0 4 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.938 109.7 47.2 -56.3 -52.2 -18.4 3.3 152.3 69 71 A H H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.840 112.7 50.0 -62.8 -34.5 -16.4 1.2 149.7 70 72 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.950 113.4 44.4 -68.0 -48.6 -15.6 -1.5 152.3 71 73 A V H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.948 118.0 46.4 -57.7 -50.0 -19.2 -1.8 153.4 72 74 A F H >X S+ 0 0 12 -4,-3.2 3,-1.2 -5,-0.2 4,-0.9 0.931 108.4 55.8 -56.8 -50.0 -20.3 -1.8 149.7 73 75 A G H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.3 154,-0.4 0.867 101.1 57.3 -53.7 -43.0 -17.6 -4.3 148.7 74 76 A K H 3< S+ 0 0 8 -4,-1.9 4,-0.3 1,-0.2 -52,-0.3 0.781 106.2 50.8 -56.6 -30.4 -18.8 -6.9 151.2 75 77 A T H XX S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.8 3,-0.6 0.687 89.2 84.1 -83.6 -19.7 -22.3 -6.8 149.6 76 78 A V H S+ 0 0 1 -4,-0.9 5,-1.5 -3,-0.8 4,-0.9 0.884 83.2 54.6 -55.8 -48.5 -21.0 -7.4 146.1 77 79 A P H 345S+ 0 0 35 0, 0.0 -69,-0.3 0, 0.0 -1,-0.2 0.885 122.0 29.9 -53.2 -38.8 -20.7 -11.2 146.1 78 80 A D H <45S+ 0 0 25 -3,-0.6 -70,-0.2 -4,-0.3 -2,-0.2 0.686 132.1 27.9 -95.5 -23.6 -24.4 -11.6 147.2 79 81 A I H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -72,-0.1 3,-0.1 0.841 129.9 17.8-107.5 -47.9 -26.1 -8.5 145.7 80 82 A S T ><5S+ 0 0 16 -4,-0.9 3,-1.9 -5,-0.4 -4,-0.1 0.333 82.7 105.6-121.4 6.9 -24.3 -7.3 142.5 81 83 A L T 3 - 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