==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-03 1V73 . COMPND 2 MOLECULE: PSYCHROPHILIC PHOSPHATASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA SP.; . AUTHOR H.TSURUTA,B.MIKAMI,Y.AIZONO . 331 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 28 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 3 1 1 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 6 A T 0 0 126 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 111.1 40.2 23.6 -15.4 2 7 A E - 0 0 72 2,-0.0 21,-1.5 41,-0.0 22,-1.5 -0.911 360.0-179.0-114.1 132.9 41.5 25.2 -12.2 3 8 A F E +A 22 0A 50 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.986 13.7 161.3-126.9 136.8 39.7 27.5 -9.7 4 9 A D E -A 21 0A 4 17,-2.6 17,-3.4 -2,-0.4 3,-0.2 -0.988 25.2 -24.5-158.3 144.8 41.3 29.0 -6.6 5 10 A G E - 0 0 0 -2,-0.3 15,-0.1 1,-0.3 2,-0.1 -0.809 30.1-124.1 126.0-166.4 40.9 31.8 -4.2 6 11 A P E - 0 0 0 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.537 30.9-170.0 -85.2 165.4 39.9 34.3 -3.2 7 12 A Y E -A 19 0A 7 12,-2.2 12,-2.0 -3,-0.2 2,-0.5 -0.968 18.7-156.3-114.0 108.1 43.1 36.2 -2.1 8 13 A V E -A 18 0A 2 -2,-0.6 173,-2.7 10,-0.2 2,-0.5 -0.779 10.2-156.5 -97.6 129.6 41.8 39.3 -0.4 9 14 A I E -AB 17 180A 30 8,-3.2 8,-2.2 -2,-0.5 171,-0.3 -0.877 10.8-169.1 -99.9 128.5 43.8 42.4 0.0 10 15 A T - 0 0 20 169,-2.1 6,-0.1 -2,-0.5 5,-0.1 -0.896 4.7-160.3-124.9 102.9 42.7 44.6 3.0 11 16 A P - 0 0 49 0, 0.0 5,-0.0 0, 0.0 168,-0.0 -0.277 33.6-103.9 -74.9 165.6 44.1 48.1 3.2 12 17 A I S S- 0 0 166 1,-0.1 167,-0.0 3,-0.0 -2,-0.0 0.905 109.4 -6.5 -55.9 -48.0 44.2 50.1 6.5 13 18 A S S S+ 0 0 111 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.728 113.6 91.7-115.8 -48.9 41.3 52.4 5.4 14 19 A G S S- 0 0 45 1,-0.1 2,-0.2 -4,-0.0 0, 0.0 0.249 85.1 -87.0 -45.7 171.0 40.4 51.5 1.8 15 20 A Q - 0 0 104 1,-0.1 -1,-0.1 -5,-0.1 17,-0.1 -0.525 51.5-105.3 -78.7 148.7 37.9 49.0 0.6 16 21 A S - 0 0 8 15,-0.3 15,-2.9 -2,-0.2 2,-0.4 -0.373 28.3-148.0 -77.8 158.9 39.2 45.4 0.2 17 22 A T E -AC 9 30A 39 -8,-2.2 -8,-3.2 13,-0.2 2,-0.4 -0.976 4.8-150.9-127.6 140.5 39.9 43.8 -3.1 18 23 A A E -AC 8 29A 0 11,-3.0 11,-2.7 -2,-0.4 2,-0.5 -0.932 1.4-158.4-117.8 135.3 39.6 40.1 -4.0 19 24 A Y E -AC 7 28A 60 -12,-2.0 -12,-2.2 -2,-0.4 2,-0.4 -0.932 13.1-169.2-109.1 132.6 41.6 38.2 -6.6 20 25 A W E - C 0 27A 0 7,-3.2 7,-2.4 -2,-0.5 2,-0.8 -0.975 18.4-145.0-125.7 135.5 40.1 35.0 -8.0 21 26 A I E +AC 4 26A 2 -17,-3.4 -17,-2.6 -2,-0.4 2,-0.5 -0.877 29.6 174.0 -98.0 112.9 41.8 32.3 -10.1 22 27 A a E > -AC 3 25A 2 3,-3.4 3,-0.6 -2,-0.8 -19,-0.2 -0.922 66.8 -23.2-129.5 109.7 39.1 31.1 -12.5 23 28 A D T 3 S- 0 0 51 -21,-1.5 -20,-0.2 -2,-0.5 -1,-0.1 0.925 125.3 -54.3 59.8 44.0 39.8 28.7 -15.3 24 29 A N T 3 S+ 0 0 71 -22,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.747 120.2 109.6 61.9 25.8 43.4 29.8 -15.1 25 30 A R E < -C 22 0A 144 -3,-0.6 -3,-3.4 -23,-0.3 2,-0.4 -0.969 69.3-117.1-130.3 146.7 42.4 33.4 -15.6 26 31 A L E -C 21 0A 57 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.684 25.8-175.4 -89.9 134.4 42.5 36.2 -13.1 27 32 A K E -C 20 0A 81 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.979 6.2-163.8-124.0 137.7 39.4 38.0 -11.9 28 33 A T E -C 19 0A 74 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.990 8.4-177.9-128.1 129.1 39.6 41.0 -9.6 29 34 A T E -C 18 0A 33 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.6 -0.931 26.2-127.1-127.9 152.0 36.6 42.4 -7.6 30 35 A S E -C 17 0A 74 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.856 32.7-125.3 -96.5 124.9 36.1 45.3 -5.2 31 36 A I - 0 0 5 -15,-2.9 2,-0.5 -2,-0.6 -15,-0.3 -0.561 26.1-165.0 -75.5 125.0 34.6 44.2 -1.9 32 37 A E B > -D 35 0B 129 3,-0.7 3,-1.4 -2,-0.4 5,-0.0 -0.941 68.2 -4.1-116.4 128.8 31.4 46.0 -1.0 33 38 A K T 3 S- 0 0 190 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.864 120.1 -70.8 62.4 38.8 29.9 46.0 2.5 34 39 A L T 3 S+ 0 0 93 -3,-0.2 16,-3.5 1,-0.2 2,-0.7 0.574 101.9 132.9 56.6 11.4 32.6 43.5 3.7 35 40 A Q E < -DE 32 49B 59 -3,-1.4 2,-1.1 14,-0.2 -3,-0.7 -0.829 48.0-152.9 -98.3 115.7 30.9 40.8 1.6 36 41 A V E - E 0 48B 0 12,-2.2 12,-0.6 -2,-0.7 2,-0.4 -0.749 21.6-179.8 -88.6 100.8 33.3 38.8 -0.5 37 42 A N - 0 0 85 -2,-1.1 -19,-0.1 10,-0.2 10,-0.1 -0.869 26.2-121.5-105.4 133.8 31.3 37.6 -3.5 38 43 A R - 0 0 70 -2,-0.4 3,-0.1 7,-0.2 9,-0.1 -0.394 28.8-120.8 -71.7 146.6 32.7 35.4 -6.2 39 44 A P > - 0 0 29 0, 0.0 3,-0.6 0, 0.0 2,-0.1 -0.083 40.9 -74.3 -75.3-178.8 32.6 36.8 -9.8 40 45 A E T 3 S+ 0 0 155 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.474 116.4 23.3 -75.5 151.2 30.9 35.1 -12.8 41 46 A H T 3 S+ 0 0 156 -2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.857 86.9 118.3 61.5 38.6 32.7 32.1 -14.2 42 47 A a X - 0 0 2 -3,-0.6 3,-1.6 1,-0.4 -1,-0.1 -0.158 66.8-132.5-126.6 39.4 34.6 31.3 -11.0 43 48 A G T 3 - 0 0 48 1,-0.2 -1,-0.4 -5,-0.0 -2,-0.1 -0.148 61.2 -40.1 50.4-132.1 33.3 27.8 -10.2 44 49 A D T 3 S+ 0 0 136 -3,-0.1 -1,-0.2 -41,-0.0 3,-0.1 -0.097 78.0 162.8-120.8 34.8 32.3 27.4 -6.5 45 50 A L < - 0 0 5 -3,-1.6 -7,-0.2 1,-0.1 -3,-0.1 -0.182 48.5 -87.4 -55.3 146.1 35.0 29.3 -4.8 46 51 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.249 37.5-161.2 -61.4 138.7 34.3 30.3 -1.1 47 52 A E + 0 0 70 -3,-0.1 2,-0.3 -10,-0.1 -10,-0.2 -0.957 17.1 172.8-119.1 136.3 32.4 33.5 -0.3 48 53 A T E -E 36 0B 5 -12,-0.6 -12,-2.2 -2,-0.4 2,-0.6 -0.996 36.6-113.7-148.6 152.5 32.6 35.0 3.2 49 54 A K E -E 35 0B 114 -2,-0.3 -14,-0.2 -14,-0.2 -15,-0.1 -0.765 42.2-121.6 -85.0 118.1 31.7 38.0 5.2 50 55 A L - 0 0 9 -16,-3.5 2,-0.4 -2,-0.6 -1,-0.0 -0.309 28.7-154.9 -60.6 141.3 34.8 39.8 6.3 51 56 A S - 0 0 11 1,-0.1 4,-0.1 2,-0.0 -1,-0.0 -0.939 21.6-169.9-123.0 143.6 35.1 40.2 10.0 52 57 A S S > S+ 0 0 97 -2,-0.4 3,-1.4 2,-0.1 -1,-0.1 0.859 85.1 56.6 -93.8 -45.6 37.0 42.7 12.1 53 58 A E G > S+ 0 0 50 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.803 96.2 60.9 -60.3 -34.8 36.7 41.1 15.5 54 59 A I G 3 S+ 0 0 4 1,-0.3 -1,-0.3 71,-0.1 4,-0.1 0.661 95.9 62.9 -71.5 -10.9 38.2 37.7 14.7 55 60 A K G < S+ 0 0 49 -3,-1.4 -1,-0.3 -4,-0.1 2,-0.2 0.419 80.9 111.5 -88.9 2.2 41.5 39.4 13.8 56 61 A Q S < S- 0 0 92 -3,-1.8 2,-0.3 -4,-0.1 132,-0.1 -0.536 80.7-110.0 -74.0 139.1 41.7 40.6 17.4 57 62 A I - 0 0 102 -2,-0.2 132,-0.1 132,-0.1 -1,-0.1 -0.557 40.7-157.4 -72.8 130.4 44.5 39.0 19.4 58 63 A M - 0 0 65 130,-0.5 -1,-0.0 -2,-0.3 -4,-0.0 -0.684 24.0 -83.5-108.6 162.3 42.9 36.7 22.0 59 64 A P - 0 0 74 0, 0.0 -1,-0.2 0, 0.0 131,-0.1 -0.134 24.5-148.0 -57.3 159.5 44.2 35.3 25.4 60 65 A D S S+ 0 0 20 1,-0.1 134,-2.4 133,-0.1 2,-0.4 0.266 80.2 63.1-112.5 7.6 46.3 32.2 25.3 61 66 A T E +f 194 0C 70 132,-0.2 2,-0.3 134,-0.0 134,-0.2 -0.998 61.9 179.2-137.3 131.8 45.0 30.9 28.6 62 67 A Y E -f 195 0C 27 132,-2.7 134,-2.4 -2,-0.4 2,-0.3 -0.966 9.6-158.0-136.0 149.4 41.5 29.8 29.5 63 68 A L + 0 0 152 -2,-0.3 -2,-0.0 132,-0.2 132,-0.0 -0.889 67.7 10.9-125.2 155.0 39.6 28.5 32.5 64 69 A G + 0 0 62 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.790 68.9 164.0 51.5 37.5 36.4 26.6 33.1 65 70 A I - 0 0 27 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.776 25.6-156.1 -86.6 116.5 35.8 25.7 29.4 66 71 A K + 0 0 150 -2,-0.7 249,-0.7 1,-0.2 2,-0.4 0.913 69.3 18.2 -60.6 -50.2 33.2 22.9 29.5 67 72 A K E +K 314 0D 57 34,-0.2 36,-2.4 247,-0.2 2,-0.3 -0.987 61.7 178.8-133.6 138.6 33.9 21.3 26.1 68 73 A V E -Kl 313 103D 2 245,-2.1 245,-3.2 -2,-0.4 2,-0.4 -0.978 9.7-162.7-133.7 144.5 36.8 21.3 23.7 69 74 A V E -Kl 312 104D 1 34,-2.4 36,-2.9 -2,-0.3 2,-0.4 -0.995 12.4-167.6-127.4 134.2 37.5 19.6 20.4 70 75 A A E +Kl 311 105D 0 241,-2.9 241,-2.9 -2,-0.4 2,-0.3 -0.968 16.8 150.2-128.2 142.1 41.0 19.3 19.0 71 76 A L E - l 0 106D 0 34,-1.8 36,-1.8 -2,-0.4 2,-0.3 -0.944 16.6-172.1-155.9 167.0 42.3 18.3 15.5 72 77 A S + 0 0 0 226,-1.0 228,-0.4 -2,-0.3 230,-0.4 -0.980 46.8 38.3-161.4 170.4 45.3 19.2 13.5 73 78 A D + 0 0 2 35,-2.2 230,-0.5 -2,-0.3 229,-0.2 0.866 45.8 164.0 50.2 52.8 47.3 19.1 10.2 74 79 A V > - 0 0 1 34,-0.4 3,-1.4 228,-0.1 36,-0.2 0.850 22.8-167.1 -64.5 -33.1 44.5 19.4 7.7 75 80 A H T 3 - 0 0 2 34,-2.5 39,-0.8 1,-0.3 36,-0.2 0.891 67.0 -47.2 43.4 57.8 47.1 20.3 5.1 76 81 A G T 3 S+ 0 0 0 34,-1.9 40,-2.0 38,-0.2 2,-1.1 0.590 100.8 130.7 67.4 12.4 44.8 21.5 2.5 77 82 A Q <> + 0 0 25 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 -0.662 21.0 161.6 -98.8 78.8 42.3 18.6 2.7 78 83 A Y H > + 0 0 58 -2,-1.1 4,-3.0 2,-0.2 5,-0.3 0.910 69.5 53.8 -64.1 -46.8 39.0 20.6 2.9 79 84 A D H > S+ 0 0 86 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.906 110.9 47.4 -57.1 -43.3 36.7 17.7 2.0 80 85 A V H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 113.2 47.9 -63.6 -48.6 38.1 15.5 4.6 81 86 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.935 112.8 48.0 -57.2 -49.2 37.9 18.2 7.3 82 87 A L H X S+ 0 0 23 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.904 112.0 50.0 -60.0 -42.0 34.4 19.1 6.4 83 88 A T H X S+ 0 0 51 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.924 111.2 48.7 -62.7 -46.7 33.3 15.4 6.4 84 89 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.923 112.5 47.7 -59.7 -47.4 34.9 14.8 9.9 85 90 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 6,-1.2 0.857 114.2 46.2 -64.9 -37.1 33.3 17.9 11.4 86 91 A K H ><5S+ 0 0 89 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.925 112.0 51.0 -71.1 -44.6 29.8 17.0 10.0 87 92 A K H 3<5S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.836 114.7 43.6 -60.6 -34.0 30.1 13.4 11.1 88 93 A Q T 3<5S- 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.292 112.6-121.4 -95.2 9.9 31.1 14.5 14.6 89 94 A K T < 5S+ 0 0 163 -3,-1.5 -3,-0.2 2,-0.1 -4,-0.1 0.789 74.0 129.4 56.0 34.4 28.4 17.1 14.6 90 95 A I S - 0 0 58 4,-2.5 3,-1.9 -2,-0.3 -1,-0.1 -0.123 44.1 -76.9 -90.2-171.0 25.7 21.5 10.9 93 98 A S T 3 S+ 0 0 102 1,-0.3 -7,-0.1 2,-0.1 -1,-0.0 0.815 132.4 50.3 -56.8 -32.7 24.3 20.3 7.5 94 99 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.439 121.0-107.5 -85.8 -2.1 25.2 23.7 6.0 95 100 A G S < S+ 0 0 7 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.706 74.1 139.9 83.0 20.3 28.8 23.5 7.4 96 101 A N - 0 0 52 1,-0.1 -4,-2.5 34,-0.0 -1,-0.3 -0.736 65.1 -80.2-100.3 147.9 28.1 26.2 10.0 97 102 A W B +P 91 0E 22 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.120 51.6 162.6 -44.2 127.4 29.3 26.2 13.6 98 103 A A + 0 0 50 -8,-2.6 -7,-0.2 -6,-0.1 -1,-0.1 0.084 47.3 97.7-137.4 20.0 27.1 23.9 15.7 99 104 A F > - 0 0 13 -9,-0.3 3,-2.3 1,-0.3 -32,-0.1 0.216 70.0-155.3 -96.2 13.0 29.4 23.4 18.7 100 105 A G T 3 - 0 0 33 1,-0.3 -1,-0.3 -10,-0.1 36,-0.3 -0.224 67.9 -11.4 53.2-126.4 27.7 26.1 20.8 101 106 A E T 3 S+ 0 0 120 35,-0.1 -1,-0.3 34,-0.1 -34,-0.2 0.280 107.0 118.9 -89.9 9.9 29.9 27.6 23.5 102 107 A G < - 0 0 0 -3,-2.3 35,-1.8 34,-0.1 2,-0.4 -0.250 61.4-124.5 -71.8 164.8 32.5 24.9 23.0 103 108 A H E -lm 68 137D 9 -36,-2.4 -34,-2.4 33,-0.2 2,-0.4 -0.910 14.1-154.7-114.3 140.0 36.1 25.6 21.9 104 109 A M E -lm 69 138D 0 33,-2.9 35,-3.3 -2,-0.4 2,-0.5 -0.913 4.6-163.3-110.7 140.1 37.8 24.2 19.0 105 110 A V E -lm 70 139D 0 -36,-2.9 -34,-1.8 -2,-0.4 2,-0.8 -0.958 5.5-173.8-125.4 110.0 41.6 24.0 18.9 106 111 A M E -lm 71 140D 0 33,-2.6 35,-2.7 -2,-0.5 2,-1.9 -0.905 16.9-151.6-103.7 105.2 43.2 23.4 15.5 107 112 A T - 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