==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4GPU . COMPND 2 MOLECULE: KLLA0E02245P; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR J.H.CHANG,K.CHIBA,L.TONG . 331 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 2 0 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 1 1 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 1 1 2 1 2 1 0 1 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 2 0 0 0 0 0 0 1 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 38 A G 0 0 78 0, 0.0 2,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 -59.7 34.3 57.9 113.2 2 39 A S - 0 0 77 323,-0.2 2,-0.3 324,-0.0 323,-0.2 -0.278 360.0-152.6-104.1-168.5 36.6 56.7 116.0 3 40 A L - 0 0 42 -2,-0.1 321,-2.9 2,-0.0 2,-0.4 -0.849 11.7-171.5-172.6 131.5 36.4 56.9 119.8 4 41 A V E +A 323 0A 105 -2,-0.3 2,-0.3 319,-0.2 319,-0.2 -0.976 17.0 170.0-125.5 143.8 38.7 57.0 122.8 5 42 A L E -A 322 0A 55 317,-2.2 317,-2.4 -2,-0.4 2,-0.5 -0.970 30.7-128.9-157.5 134.4 37.4 56.9 126.3 6 43 A S E +A 321 0A 65 -2,-0.3 315,-0.2 315,-0.3 314,-0.1 -0.740 25.2 172.6 -87.5 130.9 39.0 56.4 129.7 7 44 A C + 0 0 3 313,-2.5 3,-0.5 -2,-0.5 314,-0.2 0.258 49.8 102.9-121.4 11.0 37.4 53.7 131.8 8 45 A K S S+ 0 0 96 311,-0.3 2,-1.1 1,-0.3 -1,-0.1 0.831 76.2 60.6 -64.4 -32.5 39.8 53.6 134.7 9 46 A K S S+ 0 0 185 311,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.368 76.8 149.2 -91.6 55.8 37.3 55.6 136.9 10 47 A F - 0 0 6 -2,-1.1 278,-0.1 -3,-0.5 -3,-0.1 -0.730 55.2-102.2 -92.6 139.1 34.6 52.9 136.6 11 48 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 280,-0.1 -0.307 59.4 145.0 -57.8 134.9 32.3 52.4 139.5 12 49 A H - 0 0 71 279,-0.0 272,-0.1 275,-0.0 3,-0.1 -0.978 46.3 -93.4-166.8 161.0 33.1 49.4 141.6 13 50 A V - 0 0 51 -2,-0.3 2,-0.1 270,-0.2 274,-0.0 -0.109 61.5 -66.2 -73.5 176.0 33.2 48.2 145.2 14 51 A S > - 0 0 63 1,-0.1 3,-2.6 2,-0.1 -1,-0.2 -0.392 36.8-127.2 -65.7 137.6 36.1 48.3 147.6 15 52 A V T 3 S+ 0 0 38 1,-0.3 -1,-0.1 -2,-0.1 269,-0.1 0.811 115.5 49.9 -52.7 -29.9 39.1 46.3 146.7 16 53 A N T 3 S+ 0 0 80 2,-0.1 2,-0.4 265,-0.0 -1,-0.3 0.425 80.9 133.7 -91.6 2.2 38.8 44.9 150.2 17 54 A Y < - 0 0 91 -3,-2.6 2,-0.4 264,-0.0 266,-0.2 -0.333 33.1-175.0 -59.6 112.6 35.1 44.1 149.8 18 55 A V + 0 0 47 -2,-0.4 2,-0.3 265,-0.1 249,-0.1 -0.860 9.2 169.9-112.3 144.3 34.3 40.6 151.1 19 56 A V - 0 0 44 -2,-0.4 264,-0.0 247,-0.2 -2,-0.0 -0.978 30.9-131.6-150.3 142.6 30.9 38.8 150.9 20 57 A D S S+ 0 0 146 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.941 87.0 54.0 -64.7 -56.8 30.1 35.2 151.7 21 58 A K S S- 0 0 157 1,-0.1 -1,-0.1 241,-0.0 238,-0.0 -0.716 92.9-114.3 -85.0 126.0 28.0 33.9 148.8 22 59 A T - 0 0 15 -2,-0.5 237,-0.1 1,-0.1 -1,-0.1 -0.230 32.1-121.7 -55.5 146.5 29.7 34.4 145.4 23 60 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.166 22.1-117.6 -80.2-177.6 27.9 36.8 143.1 24 61 A K - 0 0 155 1,-0.1 208,-0.1 208,-0.0 3,-0.1 -0.981 9.4-155.2-126.1 140.4 26.7 35.9 139.7 25 62 A L S S+ 0 0 2 206,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.850 82.9 26.3 -80.5 -37.8 27.9 37.5 136.5 26 63 A L S S- 0 0 8 205,-0.4 3,-0.4 207,-0.1 2,-0.4 -0.949 77.0-136.1-125.9 145.6 24.8 36.7 134.3 27 64 A T E S+B 180 0A 79 153,-2.9 153,-2.6 -2,-0.3 3,-0.1 -0.844 83.1 11.0-106.7 144.2 21.2 36.2 135.6 28 65 A D E S- 0 0 140 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.802 84.2-179.7 64.4 32.7 18.8 33.5 134.3 29 66 A C E + 0 0 28 -3,-0.4 2,-0.3 204,-0.1 150,-0.3 -0.475 6.0 164.1 -69.2 126.9 21.7 31.9 132.7 30 67 A K E -B 178 0A 103 148,-2.9 148,-2.9 -2,-0.3 2,-0.4 -0.995 41.8-112.4-145.3 149.3 20.7 28.7 130.8 31 68 A E E +B 177 0A 58 -2,-0.3 146,-0.3 146,-0.3 3,-0.1 -0.659 31.2 177.3 -77.8 133.9 22.1 26.3 128.2 32 69 A V E + 0 0 29 144,-3.3 2,-0.3 1,-0.4 145,-0.2 0.545 64.2 1.8-115.5 -13.1 19.9 26.6 125.0 33 70 A H E -B 176 0A 28 143,-1.4 143,-2.5 14,-0.1 -1,-0.4 -0.959 58.4-169.8-162.5 163.8 21.8 24.3 122.7 34 71 A N E +B 175 0A 15 -2,-0.3 13,-3.2 141,-0.2 2,-0.3 -0.953 9.3 178.9-153.7 162.2 24.7 22.0 122.8 35 72 A C E -BC 174 46A 0 139,-2.2 139,-3.3 -2,-0.3 2,-0.4 -0.922 25.1-132.4-171.0 144.7 26.6 20.1 120.1 36 73 A S E -BC 173 45A 0 9,-1.7 9,-3.1 -2,-0.3 2,-0.6 -0.829 21.4-145.3-100.8 139.5 29.5 17.8 119.5 37 74 A Y E -BC 172 44A 48 135,-3.4 135,-2.1 -2,-0.4 2,-1.0 -0.947 6.5-161.7-108.4 111.0 31.8 18.7 116.6 38 75 A I E >> -BC 171 43A 14 5,-2.1 5,-1.7 -2,-0.6 4,-0.7 -0.821 9.9-163.6 -93.4 97.3 33.1 15.5 114.9 39 76 A I T >45S+ 0 0 65 131,-1.4 3,-0.8 -2,-1.0 -1,-0.2 0.842 80.9 46.6 -53.9 -48.5 36.1 17.0 113.1 40 77 A N T 345S+ 0 0 143 130,-0.5 -1,-0.2 1,-0.2 131,-0.1 0.869 116.8 47.8 -63.0 -35.0 37.0 14.4 110.4 41 78 A D T 345S- 0 0 100 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.544 101.1-136.8 -82.0 -8.5 33.3 14.2 109.5 42 79 A A T <<5 + 0 0 82 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.899 59.7 140.0 49.7 42.4 33.0 18.0 109.4 43 80 A T E < -C 38 0A 55 -5,-1.7 -5,-2.1 2,-0.0 2,-0.5 -0.886 51.0-150.5-122.2 149.7 29.7 17.5 111.3 44 81 A L E -C 37 0A 41 -2,-0.3 2,-0.8 -7,-0.2 -7,-0.2 -0.968 9.8-160.3-114.3 126.4 27.8 19.2 114.1 45 82 A L E -C 36 0A 36 -9,-3.1 -9,-1.7 -2,-0.5 6,-0.1 -0.845 20.7-151.3-107.8 95.0 25.7 16.9 116.2 46 83 A W E > -C 35 0A 30 -2,-0.8 3,-2.5 -11,-0.2 -11,-0.3 -0.295 39.3 -49.2 -73.2 148.5 23.2 19.1 117.9 47 84 A N G > S+ 0 0 41 -13,-3.2 3,-3.8 1,-0.3 -11,-0.1 0.081 130.4 20.9 35.7-121.1 21.6 18.6 121.2 48 85 A E G 3 S+ 0 0 194 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.583 128.1 56.1 -52.1 -8.9 20.0 15.2 121.7 49 86 A A G < S+ 0 0 54 -3,-2.5 -1,-0.3 2,-0.0 -2,-0.2 0.457 87.4 101.9-101.6 -7.1 22.3 14.0 118.9 50 87 A S < - 0 0 12 -3,-3.8 2,-0.8 -4,-0.2 -4,-0.1 -0.494 68.8-132.4 -83.7 152.1 25.5 15.2 120.6 51 88 A R - 0 0 134 -2,-0.2 -3,-0.1 -6,-0.1 -6,-0.0 -0.875 21.4-149.5-105.0 100.4 28.0 12.9 122.4 52 89 A K - 0 0 75 -2,-0.8 2,-0.6 1,-0.1 144,-0.1 -0.488 22.1-114.3 -72.0 136.5 28.8 14.4 125.8 53 90 A P - 0 0 38 0, 0.0 143,-1.8 0, 0.0 2,-0.4 -0.610 35.7-142.4 -72.3 116.2 32.4 13.6 127.0 54 91 A R B -j 196 0B 107 -2,-0.6 114,-3.2 141,-0.2 2,-0.3 -0.670 5.9-127.8 -91.1 133.5 31.8 11.5 130.1 55 92 A L B -L 167 0C 0 141,-2.5 143,-0.4 -2,-0.4 112,-0.3 -0.590 45.6 -92.5 -72.7 131.7 34.1 11.8 133.2 56 93 A R > - 0 0 69 110,-3.1 4,-2.2 -2,-0.3 5,-0.2 -0.101 30.2-127.2 -48.6 140.0 35.3 8.3 134.1 57 94 A P H > S+ 0 0 52 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.841 107.9 57.0 -59.1 -36.5 33.1 6.6 136.7 58 95 A E H > S+ 0 0 40 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.957 109.9 47.0 -59.4 -49.0 36.0 5.8 139.1 59 96 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.915 111.4 48.9 -58.7 -46.6 36.7 9.6 139.1 60 97 A C H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.905 113.3 49.8 -58.6 -41.4 33.0 10.4 139.6 61 98 A T H X S+ 0 0 38 -4,-3.0 4,-3.2 2,-0.2 5,-0.4 0.951 111.5 47.6 -59.0 -52.3 33.1 7.8 142.4 62 99 A Y H X S+ 0 0 37 -4,-3.4 4,-2.1 1,-0.2 5,-0.3 0.881 110.6 51.6 -58.9 -41.3 36.2 9.5 143.9 63 100 A I H < S+ 0 0 42 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.965 115.3 42.5 -62.2 -47.5 34.6 12.9 143.6 64 101 A K H < S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.955 124.1 32.8 -62.8 -55.5 31.5 11.7 145.5 65 102 A D H < S- 0 0 85 -4,-3.2 -1,-0.2 2,-0.2 -3,-0.2 0.738 95.7-134.1 -77.0 -23.0 33.1 9.6 148.2 66 103 A S S < S+ 0 0 85 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.1 0.680 81.6 69.9 74.8 18.2 36.3 11.7 148.5 67 104 A K S S- 0 0 161 -6,-0.3 -2,-0.2 -5,-0.3 -1,-0.2 -0.969 88.0 -99.3-158.4 154.4 38.3 8.5 148.5 68 105 A W - 0 0 42 -2,-0.3 3,-0.1 1,-0.1 -9,-0.1 -0.404 26.5-119.5 -79.5 157.3 39.2 5.9 145.9 69 106 A E S S- 0 0 99 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.926 87.2 -34.9 -57.6 -46.0 37.5 2.5 145.5 70 107 A N > - 0 0 79 1,-0.1 4,-2.5 -3,-0.0 -1,-0.2 -0.960 69.2 -79.6-165.0 176.8 40.9 0.8 146.2 71 108 A K H > S+ 0 0 136 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.855 124.0 54.7 -55.6 -41.3 44.7 1.0 145.7 72 109 A A H > S+ 0 0 64 2,-0.2 4,-0.6 1,-0.2 3,-0.4 0.977 110.3 45.8 -57.9 -56.7 44.4 -0.3 142.2 73 110 A V H >> S+ 0 0 13 1,-0.2 3,-2.1 2,-0.2 4,-0.5 0.930 111.8 51.5 -49.1 -56.4 42.0 2.4 141.2 74 111 A K H >X S+ 0 0 65 -4,-2.5 4,-1.9 1,-0.3 3,-1.0 0.827 107.9 52.8 -52.6 -38.0 44.0 5.2 142.9 75 112 A D H 3< S+ 0 0 94 -4,-2.2 -1,-0.3 -3,-0.4 -2,-0.2 0.539 94.1 69.5 -80.6 -4.4 47.1 4.0 141.0 76 113 A S H << S+ 0 0 51 -3,-2.1 -1,-0.3 -4,-0.6 -2,-0.2 0.645 123.2 12.4 -80.5 -16.7 45.3 4.3 137.7 77 114 A F H X< S+ 0 0 0 -3,-1.0 3,-1.9 -4,-0.5 173,-0.3 0.672 111.5 69.5-120.8 -70.6 45.4 8.0 138.4 78 115 A I T 3< S+ 0 0 24 -4,-1.9 173,-0.2 1,-0.3 -1,-0.2 -0.281 105.6 24.2 -59.1 134.5 47.7 9.3 141.2 79 116 A G T 3 S+ 0 0 33 171,-2.8 2,-0.4 1,-0.3 -1,-0.3 0.360 86.0 138.1 92.9 -9.3 51.4 8.9 140.4 80 117 A I < - 0 0 57 -3,-1.9 170,-2.1 170,-0.3 2,-0.8 -0.587 60.0-120.9 -78.3 126.6 50.9 8.9 136.7 81 118 A D B > -M 249 0D 54 -2,-0.4 3,-1.4 168,-0.2 168,-0.3 -0.523 17.9-160.8 -65.7 103.8 53.5 11.0 134.8 82 119 A L T 3 S+ 0 0 5 166,-2.6 79,-0.2 -2,-0.8 -1,-0.2 0.299 88.8 63.1 -71.4 14.6 51.3 13.6 133.0 83 120 A T T > + 0 0 27 164,-0.2 3,-1.3 78,-0.1 -1,-0.3 0.647 67.9 122.3-108.1 -26.6 54.4 14.0 130.8 84 121 A K T < S+ 0 0 171 -3,-1.4 -4,-0.0 1,-0.3 0, 0.0 -0.115 82.8 14.9 -42.7 121.7 54.5 10.5 129.3 85 122 A G T 3 S+ 0 0 37 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.736 74.5 143.1 82.5 25.0 54.4 10.9 125.5 86 123 A Y < + 0 0 65 -3,-1.3 2,-1.3 1,-0.2 -2,-0.1 0.657 54.8 83.4 -70.8 -13.7 55.1 14.6 125.2 87 124 A D 0 0 139 1,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.475 360.0 360.0 -92.7 66.7 57.1 13.9 122.1 88 125 A D 0 0 185 -2,-1.3 -1,-0.0 -3,-0.1 0, 0.0 -0.787 360.0 360.0-164.5 360.0 54.2 13.8 119.5 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 135 A N >> 0 0 111 0, 0.0 3,-1.1 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 139.6 36.7 27.0 113.2 91 136 A S H 3> + 0 0 37 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.809 360.0 59.6 -62.0 -33.8 35.0 28.0 116.4 92 137 A L H 3> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.776 100.2 59.5 -66.3 -23.8 33.4 31.1 115.0 93 138 A V H <> S+ 0 0 85 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.908 105.9 45.4 -68.8 -44.1 31.7 28.8 112.4 94 139 A I H >X S+ 0 0 3 -4,-1.1 4,-2.6 2,-0.2 3,-0.6 0.930 110.7 54.4 -65.4 -44.3 29.9 26.8 115.1 95 140 A L H 3X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.3 5,-0.2 0.921 105.7 52.3 -53.6 -51.3 28.8 30.0 116.9 96 141 A K H 3X S+ 0 0 95 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.774 110.3 48.1 -58.7 -29.8 27.3 31.5 113.8 97 142 A E H < S+ 0 0 14 -4,-1.4 3,-2.4 -3,-0.3 -2,-0.2 0.580 88.4 99.3-116.7 -7.5 18.4 30.4 118.5 103 148 A E G >< S+ 0 0 82 -4,-2.1 3,-3.7 1,-0.3 -3,-0.1 0.851 76.2 60.6 -48.6 -50.5 18.0 33.9 117.1 104 149 A K G 3 S+ 0 0 203 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.615 105.4 54.6 -56.0 -5.9 14.2 33.9 116.9 105 150 A T G < S+ 0 0 86 -3,-2.4 -1,-0.3 2,-0.1 2,-0.3 0.330 81.2 114.2-110.2 4.9 14.4 33.3 120.6 106 151 A L S < S- 0 0 17 -3,-3.7 6,-0.0 -4,-0.1 -3,-0.0 -0.575 79.7-108.1 -77.3 139.0 16.6 36.4 121.3 107 152 A N > - 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