==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,HYDROLASE/TRANSPORT PROTEIN 10-DEC-01 1KKM . COMPND 2 MOLECULE: HPRK PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR S.FIEULAINE,S.MORERA,S.PONCET,A.GALINIER,J.JANIN, . 789 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 21.7 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 . 98 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 5 0 1 0 0 3 1 2 0 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 1 2 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 . 3 0 5 9 10 2 0 0 2 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 . 6 0 4 0 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 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 1 135 A E 0 0 118 0, 0.0 50,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.6 3.6 76.2 27.1 2 136 A R - 0 0 140 48,-0.1 2,-0.3 2,-0.0 48,-0.2 -0.895 360.0-173.0-138.9 112.1 6.5 73.8 27.0 3 137 A R E -A 49 0A 38 46,-1.7 46,-3.0 -2,-0.4 2,-0.6 -0.691 21.4-130.0 -99.5 149.9 8.9 73.0 24.1 4 138 A S E -A 48 0A 28 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.886 26.5-169.1-101.5 117.5 11.6 70.4 23.9 5 139 A M E -A 47 0A 42 42,-3.3 42,-3.0 -2,-0.6 2,-0.7 -0.700 22.7-116.0-104.2 158.2 15.0 71.6 22.7 6 140 A H E S+A 46 0A 46 -2,-0.3 15,-0.3 40,-0.2 2,-0.3 -0.829 70.5 57.2 -99.7 116.5 18.0 69.6 21.6 7 141 A G E S-A 45 0A 0 38,-1.7 38,-0.8 -2,-0.7 2,-0.4 -0.991 81.5 -70.7 164.3-162.0 21.1 70.0 23.8 8 142 A V E -AB 44 19A 0 11,-2.1 11,-3.1 -2,-0.3 2,-0.7 -0.984 31.3-154.1-131.4 119.9 22.6 69.7 27.2 9 143 A L E +AB 43 18A 0 34,-2.2 33,-2.7 -2,-0.4 34,-1.8 -0.859 23.2 174.2 -96.2 118.2 21.6 72.1 30.0 10 144 A V E -AB 41 17A 1 7,-2.8 7,-3.1 -2,-0.7 2,-0.8 -0.920 32.9-128.3-123.2 149.1 24.4 72.3 32.5 11 145 A D E -AB 40 16A 6 29,-4.4 29,-2.4 -2,-0.4 2,-0.6 -0.878 31.8-177.5 -99.0 106.6 24.7 74.6 35.5 12 146 A I E > - B 0 15A 0 3,-2.3 3,-2.2 -2,-0.8 27,-0.1 -0.924 68.6 -23.9-111.5 114.4 28.1 76.2 35.2 13 147 A Y T 3 S- 0 0 84 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.892 127.4 -50.7 55.7 41.1 29.2 78.6 38.0 14 148 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.294 117.5 115.1 81.9 -11.9 25.6 79.2 38.8 15 149 A L E < -B 12 0A 22 -3,-2.2 -3,-2.3 77,-0.1 2,-0.7 -0.631 68.1-125.3 -92.6 149.7 24.7 80.0 35.2 16 150 A G E -B 11 0A 0 77,-0.3 80,-2.2 -2,-0.3 79,-2.0 -0.829 31.3-173.7 -92.7 121.0 22.4 78.0 33.0 17 151 A V E -Bc 10 96A 0 -7,-3.1 -7,-2.8 -2,-0.7 2,-0.7 -0.975 13.2-157.8-121.7 123.3 24.3 77.0 29.9 18 152 A L E -Bc 9 97A 1 78,-2.8 80,-1.6 -2,-0.5 2,-0.6 -0.893 10.4-156.3-100.3 111.7 22.6 75.3 27.1 19 153 A I E +Bc 8 98A 3 -11,-3.1 -11,-2.1 -2,-0.7 2,-0.3 -0.801 18.7 179.7 -89.7 118.4 25.1 73.4 25.0 20 154 A T E + c 0 99A 16 78,-1.8 80,-3.7 -2,-0.6 2,-0.2 -0.812 15.6 121.3-119.3 161.3 23.8 72.9 21.4 21 155 A G - 0 0 6 -15,-0.3 80,-0.1 -2,-0.3 3,-0.1 -0.755 62.6 -59.3 157.8 156.3 25.3 71.2 18.4 22 156 A D > - 0 0 101 78,-0.5 3,-2.2 -2,-0.2 5,-0.2 -0.240 66.9 -93.4 -56.7 141.1 24.7 68.5 15.8 23 157 A S T 3 S+ 0 0 29 1,-0.3 -1,-0.1 2,-0.1 553,-0.0 -0.347 116.0 40.9 -56.4 131.5 24.5 65.0 17.3 24 158 A G T 3 S+ 0 0 21 -3,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.090 83.7 102.1 112.9 -21.0 27.9 63.4 17.2 25 159 A V S < S- 0 0 15 -3,-2.2 -2,-0.1 75,-0.1 -3,-0.1 0.704 97.8-105.7 -68.7 -21.3 29.7 66.7 18.2 26 160 A G > + 0 0 2 -4,-0.2 4,-2.6 -5,-0.1 5,-0.3 0.701 64.7 150.0 105.4 21.5 30.1 65.4 21.8 27 161 A K H > S+ 0 0 6 -5,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 77.2 43.6 -51.9 -54.9 27.6 67.3 23.9 28 162 A S H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.968 114.0 49.3 -56.2 -57.4 27.1 64.5 26.5 29 163 A E H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 112.1 49.1 -51.0 -41.4 30.8 63.6 26.8 30 164 A T H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.960 112.3 48.3 -64.8 -46.8 31.6 67.3 27.3 31 165 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.906 106.1 57.4 -58.1 -45.0 28.9 67.6 29.9 32 166 A L H X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.916 109.0 46.4 -52.6 -44.5 30.2 64.4 31.6 33 167 A E H X S+ 0 0 15 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.893 108.4 57.1 -65.2 -39.1 33.6 66.1 32.0 34 168 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 -2,-0.2 0.863 104.2 50.7 -62.0 -36.5 31.9 69.3 33.2 35 169 A V H ><5S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.897 107.2 54.6 -71.0 -33.0 30.2 67.5 36.1 36 170 A Q H 3<5S+ 0 0 46 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 102.8 57.7 -66.8 -26.1 33.5 66.0 37.1 37 171 A R T 3<5S- 0 0 87 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.418 132.1 -91.7 -83.3 2.2 34.9 69.5 37.3 38 172 A G T < 5S+ 0 0 46 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.542 86.0 125.7 102.9 7.4 32.2 70.5 39.8 39 173 A H < - 0 0 3 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.521 56.1-112.6 -95.0 168.1 29.4 71.8 37.6 40 174 A R E -A 11 0A 65 -29,-2.4 -29,-4.4 -2,-0.2 2,-0.4 -0.853 13.7-138.7-110.4 138.4 25.8 70.5 37.6 41 175 A L E +Ad 10 88A 5 46,-3.4 48,-2.1 -2,-0.4 -31,-0.2 -0.751 25.2 165.5 -92.1 132.8 23.8 68.6 35.0 42 176 A I E - 0 0 7 -33,-2.7 19,-0.5 -2,-0.4 25,-0.3 0.770 66.0 -2.0-109.4 -54.3 20.1 69.6 34.4 43 177 A A E -A 9 0A 2 -34,-1.8 -34,-2.2 17,-0.1 2,-0.4 -0.997 55.4-154.4-148.3 140.1 19.1 67.9 31.2 44 178 A D E S-A 8 0A 1 -2,-0.3 2,-2.6 2,-0.3 -36,-0.2 -0.944 72.4 -23.9-116.7 132.3 20.8 65.7 28.5 45 179 A D E S+A 7 0A 2 -38,-0.8 -38,-1.7 -2,-0.4 2,-0.6 -0.366 130.6 52.9 73.4 -66.3 19.7 65.4 24.9 46 180 A R E -A 6 0A 22 -2,-2.6 2,-0.6 -40,-0.2 -2,-0.3 -0.915 68.4-174.3-106.3 117.7 16.1 66.5 25.4 47 181 A V E -A 5 0A 0 -42,-3.0 -42,-3.3 -2,-0.6 2,-0.7 -0.937 13.1-151.4-116.2 111.9 15.7 69.8 27.3 48 182 A D E -AE 4 60A 10 12,-2.4 12,-1.6 -2,-0.6 2,-0.3 -0.732 23.7-179.1 -85.0 114.8 12.2 70.8 28.2 49 183 A V E +AE 3 59A 1 -46,-3.0 -46,-1.7 -2,-0.7 2,-0.3 -0.837 12.3 173.8-116.4 152.3 12.0 74.6 28.3 50 184 A Y E - E 0 58A 67 8,-1.7 8,-2.9 -2,-0.3 2,-0.5 -0.966 37.0-102.1-148.6 157.9 9.2 77.1 29.2 51 185 A Q E - E 0 57A 72 -50,-0.5 6,-0.2 -2,-0.3 3,-0.1 -0.757 24.7-175.7 -90.1 124.9 9.0 80.8 29.6 52 186 A Q E - 0 0 110 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.700 69.5 -35.9 -87.5 -23.5 8.8 82.0 33.2 53 187 A D E > S- E 0 56A 64 3,-1.3 3,-0.8 0, 0.0 -1,-0.3 -0.968 85.9 -53.9 179.3 178.5 8.4 85.7 32.1 54 188 A E T 3 S+ 0 0 79 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.654 135.2 19.0 -45.7 -20.7 9.4 88.3 29.6 55 189 A Q T 3 S+ 0 0 166 69,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.460 108.6 83.9-133.1 -2.5 13.1 87.6 30.2 56 190 A T E < -E 53 0A 32 -3,-0.8 -4,-2.3 37,-0.0 -3,-1.3 -0.894 44.2-177.1-115.4 134.6 13.4 84.2 31.8 57 191 A I E -E 51 0A 1 -2,-0.4 37,-2.5 37,-0.4 2,-0.4 -0.980 12.9-156.3-122.8 135.7 13.5 80.8 30.3 58 192 A V E -EF 50 93A 3 -8,-2.9 -8,-1.7 -2,-0.4 2,-0.3 -0.938 5.6-165.1-119.5 134.9 13.6 77.6 32.4 59 193 A G E +EF 49 92A 0 33,-2.6 33,-1.5 -2,-0.4 2,-0.3 -0.875 14.9 156.9-118.4 150.7 14.9 74.3 31.4 60 194 A A E -EF 48 91A 16 -12,-1.6 -12,-2.4 -2,-0.3 31,-0.1 -0.971 37.5-103.8-161.1 161.5 14.5 70.9 33.0 61 195 A A - 0 0 21 29,-0.5 -14,-0.1 -19,-0.5 5,-0.1 -0.679 39.4-101.7 -96.4 148.8 14.7 67.2 32.0 62 196 A P >> - 0 0 5 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.440 41.1-111.2 -63.0 136.9 11.7 64.9 31.5 63 197 A P G >4 S+ 0 0 123 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 0.843 116.8 60.5 -37.3 -46.4 11.4 62.8 34.6 64 198 A I G 34 S+ 0 0 34 1,-0.3 456,-0.1 518,-0.1 457,-0.1 0.763 108.1 42.3 -57.1 -30.2 12.4 59.7 32.6 65 199 A L G X4 S+ 0 0 3 -3,-2.5 3,-2.1 -19,-0.1 -1,-0.3 0.302 83.0 144.4-101.1 10.1 15.8 61.2 31.6 66 200 A S T << S- 0 0 54 -3,-1.9 3,-0.1 -4,-0.5 -23,-0.1 -0.237 76.4 -3.6 -55.5 129.1 16.5 62.6 35.1 67 201 A H T 3 S+ 0 0 61 -25,-0.3 12,-1.9 1,-0.2 13,-0.5 0.468 106.3 133.8 68.6 4.1 20.2 62.4 36.1 68 202 A L E < +H 78 0B 14 -3,-2.1 2,-0.4 10,-0.2 -1,-0.2 -0.623 34.2 179.4 -97.8 148.1 21.0 60.6 32.9 69 203 A L E -H 77 0B 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.6 -0.993 17.5-147.9-135.9 138.3 23.7 60.9 30.2 70 204 A E E -H 76 0B 2 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.952 17.0-171.2-111.0 119.4 24.0 58.8 27.1 71 205 A I E >> -H 75 0B 0 4,-3.3 4,-3.4 -2,-0.6 3,-1.5 -0.945 28.7-117.0-118.0 116.1 27.7 58.3 26.1 72 206 A R T 34 S+ 0 0 20 -2,-0.6 393,-0.2 1,-0.3 392,-0.1 -0.243 102.9 16.1 -48.6 120.1 28.5 56.7 22.8 73 207 A G T 34 S+ 0 0 1 391,-3.1 411,-0.4 412,-0.2 391,-0.3 -0.299 128.9 49.3 108.9 -48.1 30.4 53.5 23.7 74 208 A L T <4 S- 0 0 9 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.808 92.6-152.0 -91.4 -39.1 29.5 53.3 27.4 75 209 A G E < +H 71 0B 0 -4,-3.4 -4,-3.3 389,-0.4 2,-0.4 -0.822 51.8 2.8 104.5-141.4 25.8 53.7 27.0 76 210 A I E -H 70 0B 1 -2,-0.4 438,-0.4 -6,-0.2 2,-0.3 -0.717 64.2-179.8 -90.2 130.6 23.6 55.2 29.7 77 211 A I E -H 69 0B 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.7 -0.950 23.9-137.7-128.1 148.9 25.1 56.5 32.9 78 212 A D E > -H 68 0B 39 -2,-0.3 4,-1.9 -10,-0.2 -10,-0.2 -0.907 11.4-168.3-107.5 106.6 23.6 58.1 36.0 79 213 A V H > S+ 0 0 0 -12,-1.9 4,-2.0 -2,-0.7 5,-0.3 0.778 87.3 55.9 -66.3 -27.5 25.7 61.1 37.2 80 214 A M H > S+ 0 0 73 -13,-0.5 4,-1.7 3,-0.2 -1,-0.2 0.883 112.0 44.4 -69.6 -38.7 23.8 61.3 40.5 81 215 A N H 4 S+ 0 0 65 -14,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 120.7 38.9 -75.4 -31.7 24.7 57.7 41.2 82 216 A L H < S+ 0 0 27 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.671 134.7 17.8 -93.3 -18.5 28.3 58.1 40.1 83 217 A F H < S- 0 0 62 -4,-2.0 3,-0.3 -5,-0.2 -3,-0.2 0.469 101.5-121.5-132.2 -4.7 29.0 61.5 41.5 84 218 A G >< - 0 0 27 -4,-1.7 3,-2.1 -5,-0.3 4,-0.4 -0.172 50.3 -47.2 90.0 174.7 26.4 62.3 44.1 85 219 A A G > S+ 0 0 68 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.732 125.3 72.2 -56.0 -25.4 23.9 65.1 44.5 86 220 A G G 3 S+ 0 0 56 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.677 92.8 56.4 -67.2 -15.6 26.6 67.7 43.7 87 221 A A G < S+ 0 0 4 -3,-2.1 -46,-3.4 -8,-0.2 2,-0.3 0.629 104.7 55.9 -90.4 -16.1 26.5 66.6 40.1 88 222 A V B < -d 41 0A 18 -3,-1.1 2,-0.3 -4,-0.4 -46,-0.2 -0.837 52.6-174.3-122.9 158.4 22.8 67.2 39.4 89 223 A R - 0 0 95 -48,-2.1 -22,-0.2 -2,-0.3 3,-0.1 -0.988 29.2-130.2-146.7 139.6 20.2 70.0 39.7 90 224 A E S S- 0 0 86 -2,-0.3 -29,-0.5 1,-0.1 2,-0.3 0.879 78.7 -39.6 -58.1 -43.1 16.4 69.9 39.1 91 225 A D E -F 60 0A 65 -31,-0.1 2,-0.3 -3,-0.1 -31,-0.2 -0.959 52.8-159.9-168.3-176.5 16.4 72.9 36.8 92 226 A T E -F 59 0A 3 -33,-1.5 -33,-2.6 -2,-0.3 2,-0.3 -0.960 32.4 -97.2-173.8 155.5 17.7 76.3 36.0 93 227 A T E -F 58 0A 56 -2,-0.3 2,-0.6 -35,-0.2 -77,-0.3 -0.659 46.2-118.1 -80.6 139.3 17.1 79.5 34.1 94 228 A I + 0 0 14 -37,-2.5 -37,-0.4 -2,-0.3 -77,-0.2 -0.718 43.0 162.9 -83.2 119.7 18.9 79.5 30.8 95 229 A S + 0 0 33 -79,-2.0 2,-0.3 -2,-0.6 -78,-0.2 0.705 60.2 21.1-107.6 -30.3 21.4 82.3 30.6 96 230 A L E -c 17 0A 0 -80,-2.2 -78,-2.8 30,-0.1 2,-0.5 -0.994 55.9-149.7-145.0 149.5 23.8 81.4 27.8 97 231 A I E -cg 18 128A 0 30,-2.0 32,-3.6 -2,-0.3 2,-0.6 -0.981 9.0-171.0-120.7 121.4 23.9 79.2 24.8 98 232 A V E -cg 19 129A 0 -80,-1.6 -78,-1.8 -2,-0.5 2,-0.5 -0.962 12.0-161.1-112.0 110.5 27.2 77.7 23.7 99 233 A H E -cg 20 130A 24 30,-3.4 32,-2.0 -2,-0.6 2,-0.9 -0.835 10.2-144.2 -95.9 126.7 26.8 76.1 20.3 100 234 A L E - 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