==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-12 4H17 . COMPND 2 MOLECULE: HYDROLASE, ISOCHORISMATASE FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA KT2440; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 391 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.3 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 0 2 0 0 2 0 0 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 3 3 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 0 A G 0 0 133 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.7 6.2 -20.3 36.4 2 1 A X - 0 0 171 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.767 360.0-126.7 -99.6 128.6 8.3 -17.6 34.7 3 2 A S + 0 0 122 -2,-0.5 -1,-0.0 1,-0.0 0, 0.0 -0.497 36.2 171.4 -73.3 137.3 8.1 -14.0 35.7 4 3 A V - 0 0 85 -2,-0.2 360,-0.1 355,-0.0 355,-0.1 -0.912 38.9 -74.7-139.4 162.9 7.3 -11.6 32.8 5 4 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 353,-0.1 -0.280 41.8-134.0 -57.5 151.9 6.5 -7.9 32.3 6 5 A T - 0 0 75 228,-0.2 2,-0.1 352,-0.0 353,-0.0 -0.851 22.4-116.6-105.5 142.8 3.0 -6.8 33.2 7 6 A T > - 0 0 32 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.449 19.8-120.3 -76.8 152.5 1.2 -4.5 30.8 8 7 A X H > S+ 0 0 4 177,-0.8 4,-2.0 1,-0.2 6,-0.3 0.880 116.3 59.9 -53.8 -40.5 0.3 -1.0 32.0 9 8 A F H >>S+ 0 0 14 176,-1.7 5,-2.1 175,-0.2 6,-0.9 0.952 109.7 38.4 -52.0 -52.4 -3.3 -2.1 31.3 10 9 A R H 45S+ 0 0 174 1,-0.2 3,-0.4 3,-0.2 -2,-0.2 0.885 112.9 56.9 -72.6 -35.0 -3.2 -5.0 33.7 11 10 A L H <5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.7 35.0 -60.3 -38.1 -1.1 -3.1 36.3 12 11 A T H <5S- 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.431 109.8-118.1 -96.8 -5.9 -3.8 -0.3 36.5 13 12 A G T <5S+ 0 0 57 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.716 81.5 119.9 71.7 27.4 -6.8 -2.6 36.0 14 13 A R < + 0 0 146 -5,-2.1 -4,-0.2 -6,-0.3 -5,-0.1 0.275 30.1 131.5-106.4 6.0 -7.7 -0.8 32.7 15 14 A D - 0 0 75 -6,-0.9 174,-0.0 -7,-0.1 171,-0.0 -0.395 37.2-167.9 -58.2 133.1 -7.4 -3.8 30.4 16 15 A Y - 0 0 49 -2,-0.1 3,-0.1 1,-0.0 -2,-0.1 -0.831 26.2 -96.4-117.5 158.9 -10.5 -4.1 28.1 17 16 A P - 0 0 101 0, 0.0 172,-0.1 0, 0.0 3,-0.1 -0.384 47.7 -91.7 -68.2 155.4 -11.5 -7.1 26.0 18 17 A P - 0 0 78 0, 0.0 134,-0.1 0, 0.0 109,-0.1 -0.296 54.3 -90.1 -62.1 155.7 -10.7 -7.2 22.3 19 18 A A - 0 0 4 107,-0.2 2,-0.5 170,-0.1 3,-0.1 -0.283 28.0-138.2 -66.6 147.9 -13.3 -5.8 19.9 20 19 A K > - 0 0 142 1,-0.1 3,-2.2 -3,-0.1 4,-0.3 -0.946 16.0-135.1-100.3 130.1 -16.0 -7.9 18.4 21 20 A L G > S+ 0 0 17 -2,-0.5 3,-1.7 175,-0.4 -1,-0.1 0.862 103.7 65.6 -50.2 -37.6 -16.4 -7.0 14.8 22 21 A S G 3 S+ 0 0 63 1,-0.3 -1,-0.3 42,-0.1 -3,-0.0 0.674 111.4 33.0 -62.9 -19.6 -20.2 -7.0 15.4 23 22 A H G < S+ 0 0 120 -3,-2.2 102,-0.5 2,-0.0 -1,-0.3 0.192 109.6 89.4-118.7 18.1 -19.9 -4.1 17.8 24 23 A A E < -a 125 0A 0 -3,-1.7 2,-0.4 -4,-0.3 102,-0.2 -0.656 66.0-131.7-118.9 163.1 -17.0 -2.2 16.1 25 24 A S E -a 126 0A 0 100,-2.1 102,-2.6 -2,-0.2 2,-0.5 -0.939 30.5-137.6-103.7 136.7 -16.1 0.4 13.5 26 25 A L E -ab 127 66A 1 39,-2.8 41,-3.1 -2,-0.4 2,-0.5 -0.835 17.3-168.4-101.2 128.3 -13.3 -0.8 11.1 27 26 A I E -ab 128 67A 3 100,-3.0 102,-2.1 -2,-0.5 2,-0.6 -0.984 5.1-166.4-120.1 120.7 -10.6 1.7 10.1 28 27 A I E -ab 129 68A 2 39,-3.1 41,-2.9 -2,-0.5 2,-0.6 -0.936 14.6-152.5-110.0 114.7 -8.1 0.9 7.3 29 28 A I E -ab 130 69A 0 100,-2.6 102,-2.6 -2,-0.6 41,-0.2 -0.775 60.6 -27.0 -98.4 114.3 -5.2 3.3 7.4 30 29 A D + 0 0 0 39,-2.5 2,-2.4 -2,-0.6 -1,-0.2 0.830 62.0 174.2 67.4 40.9 -3.2 4.2 4.2 31 30 A A + 0 0 2 38,-0.5 58,-2.7 -3,-0.3 2,-0.3 -0.446 34.7 143.8 -81.6 71.5 -3.8 1.1 2.0 32 31 A Q B > -F 88 0B 2 -2,-2.4 3,-1.5 56,-0.3 56,-0.2 -0.772 65.7-116.4-120.7 157.1 -2.1 2.8 -0.9 33 32 A K G > S+ 0 0 61 54,-2.5 3,-2.6 51,-0.4 4,-0.4 0.716 100.3 81.8 -68.8 -20.6 0.2 1.8 -3.7 34 33 A E G > S+ 0 0 10 51,-1.9 3,-0.8 1,-0.3 6,-0.3 0.855 90.2 56.1 -45.7 -36.1 3.1 4.0 -2.4 35 34 A Y G < S+ 0 0 1 -3,-1.5 7,-2.5 1,-0.2 -1,-0.3 0.354 92.6 68.6 -84.5 -0.8 3.9 1.1 -0.1 36 35 A L G < S+ 0 0 68 -3,-2.6 2,-0.3 5,-0.2 -1,-0.2 0.537 110.2 9.2 -96.3 -8.9 4.3 -1.6 -2.8 37 36 A S S < S+ 0 0 78 -3,-0.8 3,-0.5 -4,-0.4 -1,-0.1 -0.949 97.7 35.3-157.9 173.0 7.5 -0.2 -4.3 38 37 A G S > S- 0 0 51 -2,-0.3 3,-1.8 1,-0.2 -4,-0.0 -0.185 109.5 -33.5 70.8-165.4 10.3 2.3 -3.9 39 38 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 162,-0.1 0.728 140.0 52.9 -63.0 -23.5 11.9 3.5 -0.6 40 39 A L T 3 S+ 0 0 0 -3,-0.5 2,-0.2 -6,-0.3 -2,-0.2 0.266 74.6 136.3 -98.0 16.0 8.6 3.1 1.2 41 40 A K < - 0 0 132 -3,-1.8 -5,-0.2 -5,-0.1 2,-0.1 -0.456 48.9-140.3 -62.5 126.7 8.1 -0.5 0.1 42 41 A L > - 0 0 8 -7,-2.5 3,-0.5 -2,-0.2 2,-0.3 -0.469 8.5-114.2 -93.8 161.6 6.8 -2.3 3.2 43 42 A S T 3 S+ 0 0 58 117,-3.2 117,-0.4 1,-0.2 -1,-0.1 -0.711 92.8 15.0 -96.5 144.7 7.8 -5.8 4.4 44 43 A G T 3> S+ 0 0 60 -2,-0.3 4,-1.8 115,-0.1 -1,-0.2 0.803 77.9 146.4 66.5 33.7 5.3 -8.6 4.5 45 44 A X H <> + 0 0 14 -3,-0.5 4,-3.0 1,-0.2 5,-0.3 0.841 57.7 64.5 -73.5 -37.0 2.8 -6.8 2.3 46 45 A D H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 112.3 35.5 -50.3 -50.3 1.4 -9.8 0.5 47 46 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 115.4 53.9 -77.5 -35.5 -0.0 -11.2 3.7 48 47 A A H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.940 112.2 45.6 -61.6 -44.2 -0.9 -7.9 5.4 49 48 A V H X S+ 0 0 24 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.914 110.0 53.7 -64.7 -41.8 -3.0 -6.9 2.3 50 49 A A H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.897 110.6 48.8 -59.6 -37.0 -4.6 -10.3 2.1 51 50 A N H X S+ 0 0 9 -4,-2.1 4,-2.4 105,-0.3 -2,-0.2 0.897 107.7 52.0 -72.6 -35.5 -5.6 -9.8 5.8 52 51 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.931 109.5 51.8 -62.0 -41.1 -7.0 -6.3 5.2 53 52 A A H X S+ 0 0 40 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 108.6 50.5 -63.4 -38.9 -9.1 -7.9 2.4 54 53 A R H X S+ 0 0 105 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.904 111.4 47.7 -63.3 -42.3 -10.3 -10.5 4.9 55 54 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.924 112.7 49.0 -66.3 -43.4 -11.3 -7.9 7.4 56 55 A L H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.919 110.4 50.5 -59.9 -44.7 -13.1 -5.9 4.7 57 56 A D H X S+ 0 0 88 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.940 113.8 45.3 -56.0 -51.9 -14.9 -8.9 3.4 58 57 A A H X S+ 0 0 12 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.873 112.7 49.9 -62.4 -44.1 -16.1 -9.7 7.0 59 58 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-0.4 0.876 112.8 47.0 -61.0 -41.0 -17.1 -6.2 7.8 60 59 A R H ><5S+ 0 0 75 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.912 110.4 51.4 -69.2 -39.8 -19.1 -5.9 4.6 61 60 A K H 3<5S+ 0 0 164 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.828 115.7 43.3 -63.7 -32.5 -20.8 -9.2 5.1 62 61 A S T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.373 110.6-120.0 -94.5 -4.0 -21.8 -8.1 8.6 63 62 A G T < 5 + 0 0 62 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.803 54.8 160.7 67.6 31.2 -22.8 -4.5 7.6 64 63 A R < - 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0 0 28 -3,-1.3 3,-1.7 1,-0.2 6,-1.5 -0.132 13.5-154.9 -47.0 117.1 0.9 11.5 -5.3 81 80 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 0.652 95.6 47.2 -77.6 -8.6 -2.8 11.9 -5.7 82 81 A Q T 3 S+ 0 0 156 -8,-0.1 -2,-0.1 5,-0.0 -7,-0.1 0.175 114.3 55.9-106.5 12.7 -2.6 12.4 -9.4 83 82 A G S X S- 0 0 10 -3,-1.7 3,-1.0 -4,-0.1 4,-0.4 -0.777 100.0 -86.8-137.7 175.8 -0.3 9.3 -9.8 84 83 A P G > S+ 0 0 91 0, 0.0 3,-1.8 0, 0.0 -51,-0.4 0.864 114.8 66.2 -55.6 -35.9 -0.1 5.6 -9.0 85 84 A A G 3 S+ 0 0 21 1,-0.3 -51,-1.9 -52,-0.2 -50,-0.2 0.790 98.7 51.8 -63.7 -30.2 1.2 6.0 -5.5 86 85 A G G < S+ 0 0 7 -6,-1.5 -1,-0.3 -3,-1.0 2,-0.1 0.584 90.7 102.0 -79.2 -11.2 -1.9 7.7 -4.2 87 86 A Q S < S- 0 0 85 -3,-1.8 -54,-2.5 -4,-0.4 -53,-0.2 -0.357 82.4 -96.6 -72.1 154.4 -4.2 5.0 -5.5 88 87 A F B -F 32 0B 24 -56,-0.2 -56,-0.3 1,-0.1 5,-0.2 -0.392 45.0-100.1 -59.9 142.8 -5.8 2.3 -3.3 89 88 A I > - 0 0 4 -58,-2.7 3,-2.7 3,-0.2 4,-0.1 -0.396 56.3 -86.2 -59.3 132.2 -4.0 -1.0 -3.3 90 89 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.214 115.9 17.5 -51.5 129.9 -5.8 -3.4 -5.6 91 90 A G T 3 S+ 0 0 46 -3,-0.1 -2,-0.1 3,-0.1 -3,-0.0 0.166 109.0 82.4 94.4 -13.7 -8.7 -5.1 -3.8 92 91 A L < + 0 0 1 -3,-2.7 -3,-0.2 -61,-0.1 -61,-0.1 0.105 60.3 131.2-109.1 17.9 -8.7 -2.6 -0.9 93 92 A E - 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