==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/CARBOHYDRATE 07-AUG-09 3ILF . COMPND 2 MOLECULE: PORPHYRANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR J.H.HEHEMANN,G.CORREC,T.BARBEYRON,W.HELBERT,G.MICHEL, . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 33.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 0 1 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 18 A A 0 0 56 0, 0.0 2,-0.2 0, 0.0 193,-0.1 0.000 360.0 360.0 360.0 158.5 36.9 1.6 -6.8 2 19 A Q - 0 0 150 191,-0.1 192,-0.1 1,-0.0 0, 0.0 -0.546 360.0-139.0 -88.4 144.5 36.3 -1.5 -8.9 3 20 A L - 0 0 29 -2,-0.2 -1,-0.0 1,-0.2 9,-0.0 -0.604 29.4 -91.2 -95.0 159.9 32.7 -2.5 -9.9 4 21 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 93,-0.0 -0.132 56.6 -83.0 -59.8 163.3 31.2 -6.1 -9.9 5 22 A S - 0 0 104 1,-0.1 2,-0.2 6,-0.0 6,-0.1 -0.569 55.5-113.9 -63.1 133.2 31.4 -8.0 -13.2 6 23 A P > - 0 0 42 0, 0.0 3,-0.7 0, 0.0 2,-0.2 -0.500 34.6-102.6 -75.3 143.7 28.4 -6.8 -15.2 7 24 A T G > S- 0 0 52 1,-0.2 3,-1.5 -2,-0.2 0, 0.0 -0.457 88.4 -11.4 -67.8 132.8 25.7 -9.5 -15.8 8 25 A N G 3 S- 0 0 147 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.766 124.4 -51.9 58.2 37.4 25.7 -11.1 -19.3 9 26 A G G < S+ 0 0 61 -3,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.732 99.5 136.3 74.8 14.0 28.0 -9.0 -21.3 10 27 A K < - 0 0 81 -3,-1.5 2,-0.3 247,-0.1 -1,-0.2 -0.447 47.1-133.6 -80.9 169.3 26.2 -5.8 -20.3 11 28 A K E -A 256 0A 100 245,-2.1 245,-2.4 -2,-0.1 2,-0.4 -0.914 14.7-111.1-124.4 156.4 28.3 -2.8 -19.4 12 29 A W E -A 255 0A 42 -2,-0.3 2,-0.4 243,-0.2 243,-0.2 -0.681 32.0-171.6 -86.2 135.7 28.1 -0.4 -16.5 13 30 A E E -A 254 0A 96 241,-2.4 241,-2.2 -2,-0.4 2,-0.0 -0.998 28.5-110.3-126.5 133.8 27.1 3.1 -17.3 14 31 A K E -A 253 0A 63 -2,-0.4 2,-1.1 239,-0.2 239,-0.3 -0.322 16.9-138.3 -63.4 136.4 27.2 5.9 -14.8 15 32 A V > - 0 0 9 237,-3.4 3,-1.5 1,-0.2 4,-0.4 -0.828 21.2-163.1 -91.3 97.2 23.8 7.2 -13.7 16 33 A E G > S+ 0 0 113 -2,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.860 79.5 59.3 -57.6 -37.3 24.8 10.9 -13.7 17 34 A Q G 3 S+ 0 0 111 1,-0.3 73,-0.4 -3,-0.1 -1,-0.3 0.636 111.8 41.2 -73.0 -13.6 21.9 12.3 -11.6 18 35 A L G < S+ 0 0 0 -3,-1.5 2,-0.3 234,-0.2 -1,-0.3 0.304 104.7 80.1-110.0 13.9 22.9 10.1 -8.6 19 36 A S < + 0 0 3 -3,-1.5 2,-0.3 -4,-0.4 232,-0.2 -0.881 48.1 164.2-125.2 146.8 26.7 10.5 -8.9 20 37 A D B -B 250 0A 27 230,-2.7 230,-2.4 -2,-0.3 -3,-0.0 -0.920 32.5-159.8-162.8 135.8 28.9 13.3 -7.7 21 38 A E - 0 0 56 -2,-0.3 -1,-0.1 228,-0.2 230,-0.1 0.513 36.8-141.1 -88.4 -13.8 32.6 13.9 -7.1 22 39 A F + 0 0 1 1,-0.1 35,-0.4 228,-0.1 33,-0.2 0.830 57.2 136.1 58.1 35.8 31.7 16.8 -4.9 23 40 A D + 0 0 107 34,-0.1 -1,-0.1 33,-0.1 33,-0.1 0.328 40.7 91.8-101.1 10.2 34.7 18.7 -6.3 24 41 A G S S- 0 0 46 2,-0.2 33,-0.4 31,-0.1 34,-0.1 -0.123 89.9 -95.7 -93.2-165.0 33.0 22.1 -6.7 25 42 A N S S- 0 0 151 1,-0.2 2,-0.3 30,-0.1 -1,-0.1 0.732 100.1 -0.7 -83.5 -25.0 32.6 25.2 -4.7 26 43 A S S S- 0 0 72 27,-0.1 -2,-0.2 29,-0.1 -1,-0.2 -0.959 93.7 -64.1-157.2 172.4 29.1 24.3 -3.3 27 44 A I - 0 0 16 -2,-0.3 2,-1.1 27,-0.1 7,-0.1 -0.309 47.5-115.5 -70.4 142.0 26.4 21.5 -3.4 28 45 A D >> - 0 0 53 1,-0.2 4,-2.5 5,-0.1 3,-1.9 -0.635 25.9-167.4 -77.2 99.7 24.7 20.8 -6.7 29 46 A T T 34 S+ 0 0 91 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.631 82.3 68.0 -73.6 -7.1 21.1 21.7 -5.9 30 47 A N T 34 S+ 0 0 134 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.802 117.1 24.1 -68.3 -30.1 19.9 20.0 -9.1 31 48 A K T <4 S+ 0 0 38 -3,-1.9 58,-2.7 1,-0.2 59,-0.5 0.725 122.4 42.5-105.4 -34.1 20.9 16.6 -7.6 32 49 A W E < -I 88 0B 3 -4,-2.5 2,-0.4 56,-0.2 56,-0.2 -0.962 54.0-145.0-127.8 140.7 20.9 17.1 -3.8 33 50 A Y E -I 87 0B 53 54,-3.1 54,-1.5 -2,-0.4 -5,-0.1 -0.836 19.6-146.9 -81.9 136.2 19.0 18.6 -0.9 34 51 A D S S+ 0 0 29 -2,-0.4 16,-2.2 52,-0.2 18,-0.6 -0.059 85.2 31.2 -92.6 32.8 21.5 19.9 1.8 35 52 A Y S S- 0 0 78 14,-0.2 52,-0.4 52,-0.1 -2,-0.2 -0.901 100.7 -88.8-162.4-173.5 18.9 18.9 4.5 36 53 A H > - 0 0 16 -2,-0.3 3,-0.7 3,-0.2 11,-0.1 -0.915 31.1-172.0-113.9 104.1 16.2 16.3 4.8 37 54 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.592 83.8 46.2 -72.1 -8.4 12.9 17.6 3.4 38 55 A F T 3 S+ 0 0 96 1,-0.3 2,-0.3 2,-0.0 79,-0.0 0.446 116.4 29.3-114.9 -3.4 11.0 14.5 4.6 39 56 A W < - 0 0 81 -3,-0.7 -1,-0.3 1,-0.1 -3,-0.2 -0.955 58.9-142.9-161.1 138.1 12.2 14.1 8.2 40 57 A E - 0 0 147 -2,-0.3 7,-2.1 1,-0.3 2,-0.2 0.695 59.6-104.9 -80.1 -20.3 13.4 16.5 10.9 41 58 A G - 0 0 9 5,-0.3 2,-0.9 2,-0.0 -1,-0.3 -0.595 44.6 -50.9 119.2 175.9 16.0 14.0 12.3 42 59 A R S > S- 0 0 63 -2,-0.2 3,-2.7 -3,-0.1 176,-0.6 -0.780 73.8 -91.9 -99.6 105.4 16.4 11.7 15.3 43 60 A A T 3 S+ 0 0 41 -2,-0.9 35,-0.1 1,-0.4 36,-0.1 -0.157 114.9 35.1 -49.8 135.8 15.9 13.4 18.7 44 61 A P T 3 S+ 0 0 0 0, 0.0 36,-2.4 0, 0.0 37,-1.8 -0.923 126.1 53.5 -91.1 16.7 17.9 14.8 20.5 45 62 A S E < -n 81 0C 0 -3,-2.7 2,-0.3 173,-0.3 37,-0.2 -0.855 60.7-178.2-101.4 152.1 19.4 15.7 17.0 46 63 A N E -n 82 0C 43 35,-2.0 37,-2.0 -2,-0.3 -5,-0.3 -0.984 36.8-101.3-135.5 148.6 17.6 17.4 14.1 47 64 A F E -n 83 0C 26 -7,-2.1 2,-0.5 -2,-0.3 37,-0.2 -0.376 29.9-151.4 -65.1 138.7 19.1 18.2 10.7 48 65 A K > - 0 0 95 35,-2.5 3,-2.3 -2,-0.1 4,-0.4 -0.952 27.0-110.5-112.7 125.0 20.3 21.8 10.2 49 66 A K T 3 S+ 0 0 132 -2,-0.5 -14,-0.2 1,-0.3 35,-0.0 -0.318 102.4 19.2 -53.9 131.9 20.2 23.0 6.6 50 67 A G T 3 S+ 0 0 29 -16,-2.2 -1,-0.3 35,-0.3 -15,-0.1 0.318 85.3 109.3 87.5 -7.6 23.7 23.5 5.3 51 68 A D S < S+ 0 0 19 -3,-2.3 11,-3.2 -17,-0.3 2,-0.6 0.722 79.4 64.2 -70.1 -17.1 25.5 21.3 7.9 52 69 A A E S+C 61 0A 0 -18,-0.6 2,-0.3 -4,-0.4 9,-0.2 -0.928 80.8 153.9 -96.3 122.3 25.9 19.2 4.8 53 70 A F E -C 60 0A 60 7,-2.4 7,-3.3 -2,-0.6 2,-0.5 -0.995 44.3-118.2-153.5 150.8 28.0 21.2 2.5 54 71 A V E +C 59 0A 9 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.763 50.8 131.3 -95.6 127.1 30.5 20.8 -0.4 55 72 A S E > +C 58 0A 45 3,-2.5 3,-1.6 -2,-0.5 -30,-0.1 -0.931 58.9 16.9-167.1 144.5 34.0 22.0 0.1 56 73 A D T 3 S- 0 0 148 -2,-0.3 -33,-0.1 1,-0.3 3,-0.1 0.689 129.4 -55.6 65.0 18.4 37.7 20.8 -0.3 57 74 A G T 3 S+ 0 0 17 -33,-0.4 2,-0.3 -35,-0.4 -1,-0.3 0.500 118.1 92.4 94.7 11.1 36.6 17.9 -2.6 58 75 A F E < S-C 55 0A 38 -3,-1.6 -3,-2.5 -34,-0.1 2,-0.8 -0.925 77.5-122.3-134.5 153.2 34.0 16.3 -0.2 59 76 A L E -CD 54 247A 0 188,-3.1 188,-3.2 -2,-0.3 2,-0.5 -0.918 44.0-152.8 -86.5 117.3 30.4 16.4 0.7 60 77 A N E -CD 53 246A 8 -7,-3.3 -7,-2.4 -2,-0.8 2,-0.7 -0.827 15.0-166.7 -99.0 125.4 31.0 17.4 4.4 61 78 A L E -CD 52 245A 0 184,-3.4 184,-2.4 -2,-0.5 2,-0.4 -0.881 17.0-175.9-115.1 101.0 28.3 16.3 6.9 62 79 A R E - D 0 244A 62 -11,-3.2 2,-0.4 -2,-0.7 182,-0.2 -0.766 16.4-156.5-101.6 141.2 29.1 18.2 10.0 63 80 A S - 0 0 0 180,-2.4 2,-0.3 -2,-0.4 20,-0.2 -0.976 22.1-179.6-115.8 132.7 27.2 17.8 13.4 64 81 A T E -O 82 0C 33 18,-2.4 18,-2.5 -2,-0.4 2,-0.6 -0.759 34.0 -88.3-128.8 170.7 27.5 20.8 15.7 65 82 A L E +O 81 0C 38 172,-0.3 16,-0.2 -2,-0.3 3,-0.1 -0.681 34.6 174.6 -87.1 116.8 26.3 21.9 19.2 66 83 A R S S- 0 0 134 14,-2.4 2,-0.3 -2,-0.6 15,-0.2 0.913 72.4 -5.3 -79.7 -48.4 22.9 23.6 19.1 67 84 A K S S- 0 0 104 13,-1.5 -1,-0.3 5,-0.0 5,-0.1 -0.952 84.1 -92.0-140.5 152.9 22.5 23.9 22.9 68 85 A E > - 0 0 78 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 -0.537 34.6-134.8 -61.5 136.1 24.5 22.8 25.9 69 86 A P G > S+ 0 0 23 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.879 107.7 58.4 -68.8 -26.5 23.0 19.4 26.9 70 87 A S G 3 S+ 0 0 115 1,-0.2 -2,-0.1 4,-0.1 0, 0.0 0.609 100.8 61.2 -71.5 -4.8 23.1 20.5 30.6 71 88 A S G < S+ 0 0 78 -3,-1.9 -1,-0.2 9,-0.0 2,-0.2 0.524 93.7 71.3 -96.4 -10.7 20.8 23.4 29.4 72 89 A V S < S- 0 0 22 -3,-1.1 8,-0.0 -4,-0.5 -5,-0.0 -0.679 88.1-113.8-106.7 166.6 17.9 21.4 28.1 73 90 A Q S S+ 0 0 180 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.956 101.6 6.4 -62.9 -51.1 15.4 19.4 30.2 74 91 A D >> - 0 0 65 1,-0.1 4,-2.5 -3,-0.0 3,-2.1 -0.936 60.9-157.9-136.2 110.6 16.4 15.9 29.0 75 92 A P T 34 S+ 0 0 36 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.607 94.5 62.6 -70.6 -6.5 19.5 15.5 26.7 76 93 A F T 34 S+ 0 0 102 3,-0.1 3,-0.1 -7,-0.1 142,-0.0 0.382 124.1 11.1 -84.3 -2.5 18.1 12.2 25.5 77 94 A K T <4 S+ 0 0 125 -3,-2.1 3,-0.1 1,-0.2 -1,-0.0 0.470 102.5 83.0-138.8 -56.8 15.0 13.9 24.0 78 95 A D S < S- 0 0 45 -4,-2.5 2,-0.5 1,-0.1 -1,-0.2 -0.340 88.3-101.1 -66.4 148.3 15.1 17.7 23.8 79 96 A I + 0 0 43 1,-0.2 -34,-0.2 -36,-0.1 -1,-0.1 -0.547 63.2 138.6 -80.6 122.6 17.0 18.9 20.7 80 97 A W + 0 0 1 -36,-2.4 -14,-2.4 -2,-0.5 -13,-1.5 0.343 52.8 76.0-136.6 3.4 20.5 20.1 21.3 81 98 A V E -nO 45 65C 0 -37,-1.8 -35,-2.0 -16,-0.2 2,-0.8 -0.969 63.9-148.4-117.7 131.6 22.5 18.6 18.4 82 99 A D E -nO 46 64C 12 -18,-2.5 -18,-2.4 -2,-0.5 -35,-0.2 -0.845 27.6-170.8 -94.0 103.9 22.4 20.1 14.9 83 100 A A E -n 47 0C 0 -37,-2.0 -35,-2.5 -2,-0.8 2,-0.4 -0.160 14.2-121.9 -88.0-178.3 22.9 17.0 12.6 84 101 A A + 0 0 0 -37,-0.2 132,-2.1 132,-0.2 2,-0.3 -0.968 26.6 173.1-129.8 148.3 23.5 16.9 8.8 85 102 A A E - 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