==== 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 LYASE 26-MAR-09 3A18 . COMPND 2 MOLECULE: ALDOXIME DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR H.SAWAI,H.SUGIMOTO,Y.KATO,Y.ASANO,Y.SHIRO,S.AONO . 1411 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 372 26.4 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 . 12 0.9 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 . 82 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 8 4 0 2 4 2 8 0 1 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 10 8 0 8 4 4 4 12 8 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 . 4 0 0 0 0 0 0 0 0 0 0 0 4 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 0 127 0, 0.0 165,-0.1 0, 0.0 166,-0.1 0.000 360.0 360.0 360.0 161.9 -29.2 6.9 19.1 2 2 A E B -a 166 0A 88 163,-1.1 165,-1.8 1,-0.1 2,-0.3 -0.314 360.0-124.1 -69.8 157.8 -26.3 4.8 20.2 3 3 A S - 0 0 26 2,-0.2 161,-0.1 163,-0.2 4,-0.1 -0.806 8.2-132.4-103.6 147.4 -22.8 6.2 20.6 4 4 A A S S+ 0 0 12 -2,-0.3 2,-0.5 173,-0.1 140,-0.1 0.768 88.9 87.5 -61.5 -28.4 -19.7 5.0 18.9 5 5 A I S S- 0 0 2 172,-0.1 -2,-0.2 174,-0.1 5,-0.1 -0.652 91.4-111.7 -82.2 123.6 -18.0 5.2 22.3 6 6 A G >> - 0 0 14 -2,-0.5 3,-1.8 1,-0.1 4,-0.6 -0.189 26.9-117.9 -51.2 141.4 -18.4 2.0 24.4 7 7 A E G >4 S+ 0 0 169 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.885 113.7 51.9 -55.7 -43.7 -20.5 2.7 27.5 8 8 A H G 34 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.603 108.6 53.2 -68.2 -14.5 -17.7 1.9 30.0 9 9 A L G <4 S+ 0 0 46 -3,-1.8 -1,-0.3 130,-0.1 -2,-0.2 0.454 81.9 109.6 -99.6 -4.6 -15.4 4.4 28.2 10 10 A Q << + 0 0 99 -3,-1.3 3,-0.0 -4,-0.6 -4,-0.0 -0.521 45.5 161.1 -73.2 140.1 -17.9 7.3 28.3 11 11 A C - 0 0 51 -2,-0.2 -2,-0.1 169,-0.1 -3,-0.0 -0.939 46.4 -62.2-152.1 167.0 -16.7 10.1 30.7 12 12 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 171,-0.0 -0.363 62.5-121.9 -55.2 136.1 -17.1 13.7 31.6 13 13 A R + 0 0 91 1,-0.1 171,-0.2 171,-0.0 3,-0.1 -0.637 41.9 166.7 -89.7 138.5 -16.0 15.9 28.7 14 14 A T S S+ 0 0 92 169,-2.5 2,-0.4 -2,-0.3 170,-0.2 0.453 83.6 47.7-111.0 -19.0 -13.3 18.5 28.6 15 15 A L S S- 0 0 17 168,-2.1 -1,-0.3 355,-0.1 2,-0.2 -0.980 80.3-152.7-122.0 139.4 -13.5 18.4 24.7 16 16 A T - 0 0 30 -2,-0.4 353,-0.1 355,-0.1 2,-0.0 -0.577 16.2-100.6-113.5 166.6 -16.8 18.6 22.8 17 17 A R - 0 0 29 -2,-0.2 353,-0.1 2,-0.2 -1,-0.1 -0.224 22.8-127.7 -76.9 169.2 -18.3 17.5 19.4 18 18 A R S S+ 0 0 10 155,-0.1 -1,-0.1 2,-0.1 512,-0.1 0.331 87.4 67.5-101.7 5.6 -18.8 19.7 16.4 19 19 A V S S- 0 0 0 4,-0.0 -2,-0.2 152,-0.0 523,-0.1 -0.962 85.6-111.5-125.1 143.0 -22.5 18.9 15.9 20 20 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.229 36.8-104.9 -64.9 164.5 -25.5 19.7 18.1 21 21 A D T 3 S+ 0 0 121 1,-0.3 -2,-0.0 -4,-0.1 0, 0.0 0.737 116.3 69.2 -65.7 -23.1 -27.2 16.9 20.0 22 22 A T T 3 S+ 0 0 77 521,-0.1 -1,-0.3 2,-0.0 0, 0.0 0.578 73.9 129.3 -68.1 -10.5 -30.2 16.9 17.5 23 23 A Y < - 0 0 14 -3,-1.7 -4,-0.0 1,-0.0 0, 0.0 -0.195 35.5-176.8 -52.8 130.1 -27.8 15.6 14.8 24 24 A T - 0 0 102 146,-0.0 143,-0.1 144,-0.0 -2,-0.0 -0.995 25.1-123.7-129.6 125.0 -29.1 12.5 12.9 25 25 A P - 0 0 16 0, 0.0 145,-0.1 0, 0.0 143,-0.0 -0.328 15.0-130.2 -66.2 150.1 -26.9 10.8 10.3 26 26 A P S S+ 0 0 90 0, 0.0 144,-0.1 0, 0.0 -2,-0.0 0.469 87.5 19.6 -84.4 -3.5 -28.3 10.5 6.8 27 27 A F S S- 0 0 30 283,-0.0 2,-0.2 2,-0.0 284,-0.0 -0.969 91.2 -90.3-158.1 154.3 -27.6 6.7 6.5 28 28 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 139,-0.1 -0.458 41.2 168.0 -75.4 139.2 -26.8 3.8 8.9 29 29 A M - 0 0 13 137,-0.3 137,-2.0 -2,-0.2 2,-0.3 -0.964 14.6-154.4-140.2 158.6 -23.3 2.9 10.0 30 30 A W B -B 146 0B 23 116,-2.7 116,-3.1 -2,-0.3 2,-0.3 -0.835 0.8-151.5-132.2 162.9 -22.1 0.5 12.8 31 31 A V - 0 0 3 133,-0.4 132,-2.3 -2,-0.3 2,-0.2 -0.919 29.1 -94.4-134.2 160.2 -19.1 0.1 15.0 32 32 A G E -O 162 0C 7 -2,-0.3 2,-0.4 130,-0.2 130,-0.2 -0.516 38.3-154.2 -70.7 139.0 -17.3 -2.8 16.9 33 33 A R E +O 161 0C 57 128,-3.1 128,-1.8 -2,-0.2 127,-1.5 -0.920 18.6 167.4-114.0 144.1 -18.2 -3.3 20.5 34 34 A A - 0 0 20 -2,-0.4 125,-0.1 125,-0.2 -28,-0.0 -0.964 28.1-123.1-149.9 144.3 -16.2 -4.8 23.3 35 35 A D > - 0 0 89 -2,-0.3 3,-1.3 1,-0.1 125,-0.1 -0.059 46.4 -77.8 -77.1-175.1 -16.7 -4.8 27.0 36 36 A D T 3 S+ 0 0 32 1,-0.3 103,-0.1 1222,-0.1 -1,-0.1 0.680 118.8 75.5 -60.8 -19.7 -14.4 -3.6 29.8 37 37 A A T 3 S+ 0 0 51 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.889 79.6 77.4 -59.9 -41.1 -12.1 -6.7 29.5 38 38 A L < + 0 0 16 -3,-1.3 3,-0.1 1,-0.2 63,-0.1 -0.622 52.8 154.8 -75.9 110.1 -10.6 -5.4 26.3 39 39 A Q - 0 0 43 -2,-0.7 100,-2.4 61,-0.4 101,-0.3 0.728 65.2 -0.4-107.7 -33.2 -8.1 -2.8 27.4 40 40 A Q B -P 138 0D 15 60,-0.5 -1,-0.4 98,-0.3 62,-0.3 -0.898 64.0-155.2-164.5 129.0 -5.4 -2.6 24.6 41 41 A V - 0 0 1 96,-2.1 2,-0.4 -2,-0.3 59,-0.2 -0.617 11.8-133.5-103.4 164.9 -5.1 -4.6 21.4 42 42 A V E -C 99 0B 2 57,-1.9 57,-2.3 -2,-0.2 2,-0.6 -0.988 10.5-165.1-120.5 132.2 -2.0 -5.4 19.3 43 43 A M E -CD 98 135B 0 92,-3.4 92,-2.5 -2,-0.4 2,-0.7 -0.956 12.1-173.0-114.3 109.7 -2.0 -5.0 15.5 44 44 A G E -CD 97 134B 0 53,-2.9 53,-3.0 -2,-0.6 2,-0.7 -0.906 8.7-168.5-112.1 107.6 1.0 -6.9 14.1 45 45 A Y E -CD 96 133B 0 88,-2.5 88,-2.7 -2,-0.7 2,-0.6 -0.865 9.7-169.6 -95.8 115.3 1.7 -6.4 10.4 46 46 A L E -CD 95 132B 5 49,-3.0 49,-2.9 -2,-0.7 2,-0.3 -0.930 10.0-166.3-115.3 115.3 4.3 -9.0 9.4 47 47 A G E -CD 94 131B 2 84,-2.6 84,-1.8 -2,-0.6 2,-0.4 -0.708 22.8-164.7-113.8 152.7 5.8 -8.6 5.9 48 48 A V E -CD 93 130B 1 45,-2.4 45,-3.2 -2,-0.3 2,-0.4 -0.999 19.4-164.3-129.0 128.1 7.9 -10.4 3.4 49 49 A Q E +CD 92 129B 4 80,-3.0 80,-3.2 -2,-0.4 2,-0.3 -0.929 17.5 151.3-119.8 137.8 9.5 -8.4 0.5 50 50 A F E -C 91 0B 4 41,-2.4 41,-3.2 -2,-0.4 78,-0.1 -0.978 23.6-172.6-156.7 160.5 11.0 -9.5 -2.8 51 51 A R + 0 0 136 -2,-0.3 2,-0.3 39,-0.2 -1,-0.1 0.634 64.2 77.1-124.2 -36.6 11.6 -8.2 -6.3 52 52 A D S > S- 0 0 80 1,-0.1 3,-1.8 39,-0.1 4,-0.3 -0.619 73.6-131.5 -87.3 140.6 12.9 -11.1 -8.5 53 53 A E G > S+ 0 0 123 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.856 105.7 63.4 -50.9 -40.7 10.6 -13.9 -9.8 54 54 A D G 3 S+ 0 0 134 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.623 98.1 58.3 -66.9 -9.9 13.0 -16.6 -8.6 55 55 A Q G <> S+ 0 0 35 -3,-1.8 4,-2.5 1,-0.1 -1,-0.3 0.532 79.9 89.8 -92.4 -12.4 12.4 -15.4 -5.0 56 56 A R H <> S+ 0 0 64 -3,-1.9 4,-3.0 -4,-0.3 5,-0.3 0.880 83.9 51.4 -56.6 -47.7 8.6 -16.0 -5.1 57 57 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.941 114.4 43.5 -56.0 -48.9 8.7 -19.6 -3.9 58 58 A A H > S+ 0 0 52 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.871 114.4 51.2 -62.0 -40.4 10.8 -18.7 -0.8 59 59 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.918 112.1 44.9 -65.6 -44.7 8.7 -15.6 -0.2 60 60 A L H X S+ 0 0 28 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.884 113.4 52.6 -65.0 -37.1 5.4 -17.6 -0.3 61 61 A Q H X S+ 0 0 79 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.901 107.0 50.7 -64.6 -43.2 7.1 -20.2 1.9 62 62 A A H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.888 109.7 51.2 -60.7 -40.8 8.2 -17.6 4.5 63 63 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 108.8 51.3 -61.5 -43.8 4.6 -16.3 4.6 64 64 A R H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.869 109.0 51.7 -61.4 -37.1 3.4 -19.9 5.1 65 65 A D H X S+ 0 0 76 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.928 109.7 48.4 -63.0 -47.8 5.9 -20.2 8.0 66 66 A I H X S+ 0 0 18 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.942 111.3 50.3 -58.8 -48.3 4.6 -17.0 9.7 67 67 A V H >< S+ 0 0 20 -4,-2.5 3,-1.0 1,-0.2 4,-0.4 0.894 109.4 50.9 -57.0 -43.3 1.0 -18.1 9.3 68 68 A A H >< S+ 0 0 59 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.848 102.0 61.9 -63.2 -34.8 1.9 -21.5 10.9 69 69 A G H >< S+ 0 0 12 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.727 93.9 64.7 -62.0 -23.4 3.6 -19.6 13.8 70 70 A F T << S+ 0 0 11 -3,-1.0 -1,-0.3 -4,-0.8 5,-0.2 0.712 89.5 65.4 -72.2 -23.1 0.1 -18.1 14.5 71 71 A D T < S+ 0 0 140 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.489 84.9 98.0 -79.1 -3.0 -1.2 -21.6 15.4 72 72 A L S X S- 0 0 66 -3,-1.0 3,-1.8 -4,-0.2 36,-0.1 -0.445 95.5 -71.5 -78.3 156.7 1.2 -21.7 18.4 73 73 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.174 122.0 18.9 -47.3 138.4 -0.0 -20.7 21.9 74 74 A D T 3 S+ 0 0 60 1,-0.2 34,-0.3 -3,-0.1 35,-0.1 0.582 89.9 148.5 71.0 14.1 -0.7 -17.0 22.3 75 75 A G < - 0 0 19 -3,-1.8 -1,-0.2 -5,-0.2 -5,-0.1 -0.176 58.7 -69.9 -64.5 169.2 -1.0 -16.5 18.6 76 76 A P - 0 0 18 0, 0.0 23,-0.3 0, 0.0 -1,-0.2 -0.250 32.1-132.6 -65.7 153.3 -3.3 -13.8 17.3 77 77 A A S S+ 0 0 61 21,-1.9 2,-0.3 1,-0.2 22,-0.2 0.701 89.9 12.8 -74.2 -23.3 -7.1 -14.2 17.6 78 78 A H E +E 98 0B 59 20,-1.3 20,-2.4 2,-0.0 2,-0.3 -0.992 67.2 169.6-151.5 150.5 -7.6 -13.2 13.9 79 79 A H E -E 97 0B 63 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.985 10.5-168.7-154.1 161.5 -5.5 -12.6 10.8 80 80 A D E -E 96 0B 22 16,-1.5 16,-2.8 -2,-0.3 2,-0.4 -0.967 18.2-131.2-146.4 163.4 -5.5 -12.0 7.1 81 81 A L E +E 95 0B 16 186,-0.5 186,-2.6 -2,-0.3 2,-0.3 -0.933 24.0 178.6-122.2 136.2 -3.0 -12.0 4.2 82 82 A T E -EF 94 266B 0 12,-2.2 12,-2.3 -2,-0.4 2,-0.3 -0.878 14.1-153.8-135.0 165.1 -2.4 -9.4 1.5 83 83 A H E +EF 93 265B 22 182,-2.2 182,-2.8 -2,-0.3 2,-0.3 -0.982 19.3 157.4-136.4 143.8 -0.1 -8.7 -1.5 84 84 A H E -E 92 0B 17 8,-1.4 8,-3.3 -2,-0.3 2,-0.5 -0.963 33.6-130.4-157.6 159.2 1.0 -5.4 -3.1 85 85 A I E -E 91 0B 90 -2,-0.3 6,-0.2 178,-0.2 178,-0.1 -0.971 30.3-142.6-110.8 125.2 3.7 -4.1 -5.3 86 86 A D > - 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0 0 26 -4,-0.8 3,-1.4 -3,-0.4 4,-0.3 -0.207 68.0-132.4 -60.3 143.6 18.2 -15.9 13.1 121 121 A E T >> S+ 0 0 147 1,-0.3 4,-1.2 2,-0.2 3,-1.2 0.718 104.4 75.3 -63.8 -22.4 21.2 -15.0 10.9 122 122 A D H 3> S+ 0 0 89 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.724 81.4 67.3 -64.1 -23.3 19.3 -16.8 8.2 123 123 A R H <4 S+ 0 0 21 -3,-1.4 -1,-0.3 1,-0.2 4,-0.2 0.806 104.5 43.7 -66.2 -30.6 17.0 -13.7 8.0 124 124 A L H <4 S+ 0 0 74 -3,-1.2 3,-0.4 -4,-0.3 -2,-0.2 0.796 116.1 46.7 -80.7 -31.8 20.0 -11.8 6.6 125 125 A S H < S+ 0 0 91 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.601 90.2 81.9 -88.9 -13.1 21.1 -14.6 4.2 126 126 A D S < S- 0 0 69 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 0.767 88.6-136.5 -59.7 -29.7 17.6 -15.4 2.7 127 127 A G + 0 0 48 -3,-0.4 -1,-0.1 1,-0.4 2,-0.1 0.175 69.6 112.7 85.2 -17.0 17.9 -12.5 0.3 128 128 A L S S- 0 0 2 -5,-0.1 2,-0.4 -78,-0.1 -1,-0.4 -0.396 70.8-117.4 -79.3 158.4 14.3 -11.6 1.1 129 129 A G E -D 49 0B 3 -80,-3.2 -80,-3.0 -3,-0.1 2,-0.4 -0.825 30.3-169.8 -91.8 141.0 13.1 -8.5 3.0 130 130 A F E +DG 48 335B 1 205,-2.8 205,-3.1 -2,-0.4 2,-0.3 -0.983 6.5 176.2-127.2 143.1 11.4 -9.0 6.3 131 131 A F E -DG 47 334B 1 -84,-1.8 -84,-2.6 -2,-0.4 2,-0.4 -0.998 19.1-163.8-145.7 151.3 9.5 -6.5 8.4 132 132 A R E +DG 46 333B 14 201,-2.6 201,-3.1 -2,-0.3 2,-0.6 -0.973 7.3 179.5-130.0 117.2 7.4 -6.3 11.6 133 133 A E E +DG 45 332B 1 -88,-2.7 -88,-2.5 -2,-0.4 2,-0.5 -0.910 16.8 175.7-118.0 96.2 5.3 -3.2 12.1 134 134 A I E +DG 44 331B 16 197,-2.5 197,-2.4 -2,-0.6 2,-0.3 -0.920 4.1 174.7-116.0 122.2 3.6 -3.8 15.5 135 135 A V E -DG 43 330B 1 -92,-2.5 -92,-3.4 -2,-0.5 195,-0.2 -0.961 16.0-159.8-133.9 146.8 1.4 -1.3 17.2 136 136 A A - 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