==== 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 HYDROLASE 24-DEC-02 1J1Y . COMPND 2 MOLECULE: PAAI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.KUNISHIMA,M.SUGAHARA,S.KURAMITSU,S.YOKOYAMA,M.MIYANO,RIKEN . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 79.7 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 . 102 44.2 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 0 0 0 0 2 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 . 3 0 0 0 2 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 2 A R 0 0 215 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 38.2 23.6 11.6 2 3 A D > - 0 0 81 1,-0.1 4,-2.8 2,-0.0 5,-0.2 -0.571 360.0-141.4 -73.9 122.9 37.6 21.7 8.4 3 4 A P H > S+ 0 0 99 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.901 100.9 44.3 -50.3 -51.3 37.0 24.0 5.4 4 5 A F H > S+ 0 0 127 2,-0.2 4,-1.4 1,-0.2 6,-0.2 0.897 113.7 51.6 -64.4 -40.0 34.3 21.9 3.8 5 6 A M H 4>S+ 0 0 14 1,-0.2 5,-2.6 2,-0.2 4,-0.4 0.929 111.6 47.5 -60.7 -45.9 32.6 21.3 7.2 6 7 A E H ><5S+ 0 0 93 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.921 108.2 54.3 -60.4 -46.6 32.6 25.1 7.8 7 8 A A H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 110.8 46.8 -59.3 -29.7 31.2 25.8 4.4 8 9 A L T 3<5S- 0 0 22 -4,-1.4 17,-0.3 -3,-0.3 -1,-0.3 0.429 115.9-115.3 -92.3 -1.8 28.3 23.4 5.0 9 10 A G T < 5 + 0 0 30 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.710 59.2 158.4 76.6 21.8 27.7 24.9 8.5 10 11 A L < - 0 0 8 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.572 21.6-163.8 -84.3 141.1 28.6 21.7 10.3 11 12 A K E -A 23 0A 115 12,-2.8 12,-2.9 -2,-0.3 2,-0.8 -0.938 22.5-122.5-124.6 146.5 29.6 21.8 14.0 12 13 A V E +A 22 0A 70 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.785 31.7 172.5 -88.4 112.9 31.4 19.2 16.2 13 14 A L E + 0 0 100 8,-2.6 2,-0.3 -2,-0.8 9,-0.2 0.783 65.8 9.7 -90.4 -32.4 29.1 18.5 19.1 14 15 A H E +A 21 0A 79 7,-1.7 7,-2.6 2,-0.0 2,-0.3 -0.995 57.6 176.0-151.1 143.4 31.0 15.6 20.7 15 16 A L E +A 20 0A 86 -2,-0.3 5,-0.2 5,-0.2 38,-0.0 -0.917 16.7 143.8-153.0 121.7 34.3 14.0 20.3 16 17 A A E > -A 19 0A 27 3,-2.3 3,-2.3 -2,-0.3 40,-0.1 -0.907 62.4 -52.3-147.0 169.5 35.9 11.2 22.3 17 18 A P T 3 S- 0 0 94 0, 0.0 68,-0.1 0, 0.0 36,-0.1 -0.273 125.1 -4.5 -52.8 121.8 38.1 8.2 21.6 18 19 A G T 3 S+ 0 0 3 35,-0.6 67,-0.6 34,-0.2 2,-0.3 0.418 124.3 75.0 76.5 -1.1 36.4 6.2 18.8 19 20 A E E < +AB 16 84A 82 -3,-2.3 -3,-2.3 65,-0.2 2,-0.3 -0.975 46.8 171.8-145.0 158.8 33.3 8.4 18.5 20 21 A A E -AB 15 83A 0 63,-1.6 63,-3.2 -2,-0.3 2,-0.4 -0.982 17.8-150.6-162.4 149.3 32.0 11.7 17.3 21 22 A V E -AB 14 82A 27 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.7 -0.991 15.2-173.6-127.4 122.6 28.8 13.7 16.9 22 23 A V E -AB 12 81A 0 59,-2.3 59,-2.7 -2,-0.4 2,-0.3 -0.937 7.6-162.9-115.7 138.9 28.5 16.3 14.1 23 24 A A E +AB 11 80A 18 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.3 -0.906 17.1 149.2-124.8 152.4 25.5 18.5 13.8 24 25 A G E - B 0 79A 12 55,-2.5 55,-2.9 -2,-0.3 2,-0.4 -0.949 34.7-117.3-162.4 178.6 24.1 20.7 11.0 25 26 A E E - B 0 78A 94 -17,-0.3 2,-0.9 -2,-0.3 53,-0.2 -0.972 32.2-111.9-129.3 144.1 20.9 22.2 9.5 26 27 A V - 0 0 1 51,-2.7 50,-3.5 -2,-0.4 2,-0.1 -0.679 46.7-169.4 -77.3 107.5 19.6 21.5 6.0 27 28 A R > - 0 0 88 -2,-0.9 3,-2.0 48,-0.2 4,-0.2 -0.418 38.1 -97.5 -94.1 172.1 20.0 25.0 4.5 28 29 A A G > S+ 0 0 89 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.823 124.4 55.4 -57.6 -33.2 18.7 26.3 1.2 29 30 A D G 3 S+ 0 0 107 1,-0.2 -1,-0.3 -21,-0.0 -3,-0.0 0.245 100.3 61.4 -86.7 15.5 22.1 25.6 -0.5 30 31 A H G < S+ 0 0 7 -3,-2.0 8,-2.9 2,-0.1 11,-0.2 0.281 82.9 107.5-119.2 4.5 21.9 21.9 0.6 31 32 A L B < -F 37 0B 54 -3,-0.9 6,-0.2 6,-0.2 2,-0.1 -0.460 56.7-141.0 -89.0 158.1 18.7 21.0 -1.3 32 33 A N > - 0 0 41 4,-2.3 3,-1.4 -2,-0.1 -1,-0.1 -0.378 43.9 -84.3-101.1-175.3 18.2 18.9 -4.4 33 34 A L T 3 S+ 0 0 179 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.824 128.8 59.0 -60.9 -31.1 15.9 19.5 -7.3 34 35 A H T 3 S- 0 0 168 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.641 116.8-112.8 -73.6 -16.0 13.1 17.9 -5.3 35 36 A G S < S+ 0 0 38 -3,-1.4 40,-0.6 1,-0.4 2,-0.2 0.541 81.8 109.9 94.5 7.4 13.4 20.4 -2.5 36 37 A T B S-G 74 0C 42 38,-0.1 -4,-2.3 1,-0.1 -1,-0.4 -0.676 83.8 -66.0-111.0 167.7 14.8 17.8 -0.0 37 38 A A B -F 31 0B 8 36,-3.1 -6,-0.2 -2,-0.2 36,-0.2 -0.301 58.2-116.4 -55.3 126.8 18.2 17.4 1.5 38 39 A H >> - 0 0 99 -8,-2.9 4,-1.8 1,-0.1 3,-1.1 -0.383 15.1-125.8 -66.5 139.7 20.7 16.4 -1.2 39 40 A G H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.825 110.9 58.0 -55.7 -32.9 22.2 13.0 -0.7 40 41 A G H 3> S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.798 103.6 51.6 -68.7 -30.3 25.7 14.6 -0.9 41 42 A F H <> S+ 0 0 10 -3,-1.1 4,-2.2 -11,-0.2 -2,-0.2 0.937 110.5 46.9 -71.9 -46.6 24.9 16.8 2.0 42 43 A L H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.886 114.4 48.5 -62.0 -37.4 23.8 14.0 4.2 43 44 A Y H X S+ 0 0 78 -4,-2.0 4,-3.6 -5,-0.2 5,-0.3 0.921 108.4 53.4 -68.5 -41.4 26.9 12.0 3.2 44 45 A A H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.895 109.8 49.3 -58.6 -40.3 29.2 15.0 3.9 45 46 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.941 114.9 42.7 -64.0 -48.9 27.7 15.2 7.4 46 47 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.915 113.2 52.9 -64.4 -43.5 28.2 11.5 8.0 47 48 A D H X S+ 0 0 52 -4,-3.6 4,-2.7 1,-0.2 -1,-0.2 0.845 105.6 55.2 -61.1 -36.3 31.7 11.5 6.5 48 49 A S H X S+ 0 0 10 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.911 109.9 44.2 -65.2 -42.9 32.7 14.4 8.7 49 50 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.898 113.3 53.6 -67.2 -39.1 31.8 12.5 11.9 50 51 A F H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.922 109.1 47.7 -59.2 -47.8 33.5 9.4 10.4 51 52 A A H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 113.6 47.2 -62.0 -45.9 36.7 11.4 9.8 52 53 A L H X S+ 0 0 39 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.918 113.9 46.5 -63.7 -45.2 36.7 12.9 13.3 53 54 A A H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 -35,-0.6 0.920 114.2 47.5 -64.2 -45.0 36.0 9.6 15.1 54 55 A S H >< S+ 0 0 5 -4,-2.6 3,-1.6 1,-0.2 4,-0.2 0.868 105.1 60.0 -66.3 -34.9 38.6 7.7 13.0 55 56 A N H >< S+ 0 0 79 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.685 86.5 75.8 -67.5 -17.4 41.3 10.4 13.6 56 57 A T T << S+ 0 0 50 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.697 96.2 50.0 -67.0 -16.2 41.1 9.9 17.4 57 58 A R T < S- 0 0 85 -3,-1.6 -1,-0.3 1,-0.5 -2,-0.2 0.473 130.3 -78.5 -97.9 -5.3 43.1 6.7 16.8 58 59 A G S < S- 0 0 24 -3,-1.3 -1,-0.5 -4,-0.2 58,-0.0 -0.596 76.1 -28.4 127.5 169.8 45.7 8.4 14.7 59 60 A P + 0 0 86 0, 0.0 57,-2.3 0, 0.0 2,-0.3 -0.249 68.1 163.3 -56.7 135.6 46.0 9.6 11.1 60 61 A A E -C 115 0A 22 55,-0.3 2,-0.4 -9,-0.1 55,-0.2 -0.984 28.9-142.5-151.5 158.3 43.9 7.6 8.7 61 62 A V E -C 114 0A 75 53,-2.4 53,-3.2 -2,-0.3 2,-0.1 -0.986 30.3-109.6-127.4 136.1 42.5 7.9 5.2 62 63 A A E +C 113 0A 51 -2,-0.4 51,-0.3 51,-0.3 3,-0.1 -0.376 35.0 172.2 -64.6 137.6 39.1 6.7 4.0 63 64 A L E + 0 0 106 49,-2.9 2,-0.4 1,-0.3 50,-0.2 0.766 64.2 3.7-108.7 -57.6 39.1 3.6 1.7 64 65 A S E -C 112 0A 59 48,-1.3 48,-2.6 2,-0.0 2,-0.3 -0.996 60.9-179.6-140.4 134.6 35.5 2.5 1.3 65 66 A C E -C 111 0A 35 -2,-0.4 2,-0.4 46,-0.2 46,-0.2 -0.982 9.8-158.9-135.3 145.8 32.2 4.0 2.5 66 67 A R E -C 110 0A 29 44,-3.2 44,-2.5 -2,-0.3 2,-0.5 -0.968 3.7-164.9-124.1 138.1 28.6 3.0 2.1 67 68 A M E -C 109 0A 27 -2,-0.4 2,-0.5 42,-0.2 42,-0.2 -0.986 1.3-168.6-125.7 123.0 25.6 5.2 2.5 68 69 A D E -C 108 0A 18 40,-2.9 40,-2.4 -2,-0.5 2,-0.5 -0.958 12.4-150.1-113.2 121.1 22.1 3.8 3.0 69 70 A Y E +C 107 0A 121 -2,-0.5 38,-0.2 38,-0.2 37,-0.1 -0.779 25.7 161.8 -95.6 129.2 19.2 6.3 2.7 70 71 A F + 0 0 25 36,-2.8 37,-0.2 -2,-0.5 -1,-0.1 0.774 61.5 17.5-112.9 -40.1 16.0 5.8 4.6 71 72 A R - 0 0 118 35,-1.8 -1,-0.3 33,-0.1 2,-0.1 -0.989 69.7-119.0-139.6 146.1 14.0 9.0 4.8 72 73 A P - 0 0 104 0, 0.0 2,-0.4 0, 0.0 -34,-0.1 -0.473 27.3-144.4 -79.8 156.8 14.0 12.4 3.0 73 74 A L - 0 0 18 -36,-0.2 -36,-3.1 -2,-0.1 2,-0.1 -0.975 9.6-134.7-124.1 139.6 14.7 15.5 5.0 74 75 A G B > -G 36 0C 39 -2,-0.4 3,-1.9 -38,-0.2 -48,-0.2 -0.448 35.9 -78.0 -91.4 164.0 13.2 18.9 4.5 75 76 A A T 3 S+ 0 0 65 -40,-0.6 -48,-0.2 1,-0.3 -1,-0.1 -0.285 116.7 23.7 -56.9 137.7 14.7 22.4 4.3 76 77 A G T 3 S+ 0 0 24 -50,-3.5 -1,-0.3 1,-0.3 -49,-0.1 0.263 85.2 145.3 89.7 -11.4 15.5 23.7 7.8 77 78 A A < - 0 0 21 -3,-1.9 -51,-2.7 -51,-0.1 2,-0.5 -0.323 47.2-133.1 -63.9 138.6 15.7 20.3 9.5 78 79 A R E -B 25 0A 162 -53,-0.2 24,-0.4 -55,-0.0 2,-0.3 -0.820 33.8-178.3 -91.7 130.2 18.3 20.0 12.2 79 80 A V E -B 24 0A 3 -55,-2.9 -55,-2.5 -2,-0.5 2,-0.3 -0.939 16.2-158.8-134.3 153.1 20.3 16.8 11.8 80 81 A E E -BD 23 100A 58 20,-2.6 20,-2.6 -2,-0.3 2,-0.5 -0.951 9.5-150.7-130.3 150.9 23.1 14.9 13.5 81 82 A A E -BD 22 99A 0 -59,-2.7 -59,-2.3 -2,-0.3 2,-0.7 -0.990 15.9-164.3-120.4 117.8 25.7 12.3 12.5 82 83 A R E -BD 21 98A 104 16,-3.0 16,-2.3 -2,-0.5 2,-0.4 -0.902 6.0-164.3-111.3 108.1 26.6 10.0 15.3 83 84 A A E +BD 20 97A 2 -63,-3.2 -63,-1.6 -2,-0.7 2,-0.3 -0.738 10.3 175.3 -96.1 136.1 29.8 8.0 14.7 84 85 A V E -BD 19 96A 57 12,-2.5 12,-2.6 -2,-0.4 2,-0.3 -0.983 33.2-108.4-137.1 147.9 30.9 4.9 16.7 85 86 A E E + D 0 95A 57 -67,-0.6 10,-0.2 -2,-0.3 3,-0.1 -0.602 30.3 173.9 -80.7 130.8 33.8 2.5 16.3 86 87 A V E S+ 0 0 23 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.750 70.5 3.1-102.1 -37.2 33.0 -1.0 15.0 87 88 A N E - D 0 94A 26 7,-1.8 7,-2.5 2,-0.0 2,-0.4 -0.984 52.8-166.5-154.8 141.0 36.5 -2.3 14.6 88 89 A L E + D 0 93A 68 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.959 21.0 166.9-132.0 112.3 40.0 -1.1 15.2 89 90 A S - 0 0 33 3,-3.0 98,-0.0 -2,-0.4 -2,-0.0 -0.618 49.8 -97.1-115.1 177.4 42.9 -3.1 13.7 90 91 A R S S+ 0 0 197 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.884 120.5 17.6 -64.1 -40.1 46.6 -2.4 13.2 91 92 A R S S+ 0 0 135 1,-0.1 24,-3.1 23,-0.1 2,-0.3 0.590 129.7 28.1-109.5 -14.6 46.2 -1.2 9.6 92 93 A T E - E 0 114A 43 22,-0.3 -3,-3.0 94,-0.1 2,-0.3 -0.932 54.1-166.2-143.6 166.5 42.5 -0.4 9.3 93 94 A A E -DE 88 113A 1 20,-1.5 20,-2.8 -2,-0.3 2,-0.4 -0.985 9.6-149.2-152.6 150.0 39.4 0.6 11.3 94 95 A T E -DE 87 112A 2 -7,-2.5 -8,-3.1 -2,-0.3 -7,-1.8 -0.977 11.5-170.7-129.9 139.4 35.7 0.6 10.6 95 96 A Y E -DE 85 111A 1 16,-2.8 16,-2.5 -2,-0.4 2,-0.4 -0.929 15.6-145.5-129.9 151.1 32.9 3.0 11.9 96 97 A R E -DE 84 110A 42 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.5 -0.940 17.5-167.6-112.0 134.7 29.1 3.1 11.8 97 98 A V E -DE 83 109A 0 12,-3.2 12,-3.0 -2,-0.4 2,-0.5 -0.970 5.7-158.3-130.0 119.3 27.5 6.5 11.5 98 99 A E E -DE 82 108A 63 -16,-2.3 -16,-3.0 -2,-0.5 2,-0.7 -0.815 7.2-151.3 -96.3 131.4 23.8 7.1 12.1 99 100 A V E +DE 81 107A 0 8,-2.6 7,-2.7 -2,-0.5 8,-1.4 -0.920 26.0 179.9-103.3 116.5 22.2 10.2 10.6 100 101 A V E +DE 80 105A 12 -20,-2.6 -20,-2.6 -2,-0.7 2,-0.3 -0.922 18.2 175.8-125.4 145.7 19.3 11.3 12.8 101 102 A S E > S- E 0 104A 7 3,-2.2 3,-2.3 -2,-0.3 -22,-0.1 -0.970 75.7 -8.4-147.2 129.0 16.8 14.1 12.8 102 103 A E T 3 S- 0 0 168 -24,-0.4 3,-0.1 -2,-0.3 -23,-0.1 0.861 129.2 -56.4 52.9 37.7 13.8 14.6 15.1 103 104 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.462 113.5 118.9 76.4 1.7 14.5 11.2 16.6 104 105 A K E < - 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