==== 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 15-SEP-09 3JUU . COMPND 2 MOLECULE: PORPHYRANASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR J.H.HEHEMANN,G.CORREC,T.BARBEYRON,G.MICHEL,M.CZJZEK . 537 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 36.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 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 0 0 PARALLEL BRIDGES PER LADDER . 3 3 3 7 6 4 6 1 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 2 0 0 0 1 0 1 0 0 0 0 0 0 1 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 23 A E 0 0 233 0, 0.0 17,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -2.1 5.1 -6.3 2.6 2 24 A A - 0 0 46 17,-0.1 3,-0.1 15,-0.1 17,-0.0 -0.962 360.0 -80.0-152.2 164.4 6.7 -8.7 5.2 3 25 A P - 0 0 11 0, 0.0 2,-1.0 0, 0.0 15,-0.0 -0.148 57.4 -91.5 -61.1 161.6 9.9 -8.9 7.3 4 26 A H + 0 0 78 208,-0.0 2,-0.4 6,-0.0 207,-0.3 -0.674 62.7 153.6 -78.1 106.5 13.0 -10.3 5.6 5 27 A F - 0 0 36 -2,-1.0 207,-0.2 205,-0.1 206,-0.1 -0.998 38.9-131.2-132.6 135.4 13.0 -14.0 6.3 6 28 A K > - 0 0 102 205,-2.8 3,-1.7 -2,-0.4 4,-0.4 -0.203 54.5 -67.8 -69.5 169.4 14.7 -16.6 4.1 7 29 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 415,-0.1 -0.385 125.4 17.8 -64.7 134.3 12.5 -19.7 3.2 8 30 A G T 3 S+ 0 0 1 -3,-0.1 414,-0.2 -2,-0.1 -2,-0.1 0.675 106.7 86.7 84.6 10.8 11.9 -21.7 6.3 9 31 A E < + 0 0 14 -3,-1.7 410,-0.2 411,-0.1 -3,-0.1 0.445 46.2 114.3-123.2 -7.9 12.8 -19.0 8.8 10 32 A D - 0 0 15 -4,-0.4 409,-0.5 1,-0.2 408,-0.1 -0.585 50.7-159.5 -68.1 120.2 9.6 -17.0 9.4 11 33 A P + 0 0 19 0, 0.0 -1,-0.2 0, 0.0 406,-0.0 0.452 52.5 112.9 -87.1 1.6 8.8 -17.8 13.0 12 34 A R - 0 0 82 1,-0.1 406,-0.6 2,-0.1 407,-0.4 -0.279 69.8-117.5 -70.5 158.8 5.1 -16.8 12.7 13 35 A Q > - 0 0 87 404,-0.1 3,-2.3 405,-0.1 -1,-0.1 -0.693 35.0-102.4 -91.1 149.5 2.4 -19.5 13.1 14 36 A P T 3 S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.729 118.6 51.6 -54.0 -26.4 0.2 -20.0 10.1 15 37 A H T 3 S+ 0 0 175 2,-0.0 2,-0.3 0, 0.0 -3,-0.0 0.194 99.9 82.6 -95.4 23.2 -2.9 -18.1 11.4 16 38 A Q < - 0 0 44 -3,-2.3 2,-0.3 250,-0.0 252,-0.2 -0.811 58.2-163.2-116.5 158.9 -0.8 -15.0 12.2 17 39 A E E -A 267 0A 120 250,-2.8 250,-2.7 -2,-0.3 2,-0.5 -0.974 22.0-117.5-139.8 157.9 0.4 -12.1 10.1 18 40 A W E -A 266 0A 20 -2,-0.3 2,-0.5 248,-0.2 248,-0.2 -0.842 28.5-163.7 -93.9 131.0 3.1 -9.4 10.4 19 41 A K E -A 265 0A 121 246,-3.1 246,-2.4 -2,-0.5 -17,-0.1 -0.969 21.8-116.9-119.9 124.2 1.8 -5.8 10.4 20 42 A L E -A 264 0A 51 -2,-0.5 2,-1.0 244,-0.2 244,-0.3 -0.267 14.6-140.4 -57.8 129.0 4.0 -2.8 9.8 21 43 A I > - 0 0 13 242,-3.5 3,-1.7 1,-0.2 242,-0.4 -0.851 20.5-163.5 -90.1 101.7 4.2 -0.4 12.7 22 44 A E G > S+ 0 0 129 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.890 81.0 53.9 -61.3 -44.9 4.1 2.8 10.5 23 45 A N G 3 S+ 0 0 66 1,-0.3 71,-0.4 -3,-0.1 -1,-0.3 0.450 114.0 42.7 -75.8 1.7 5.4 5.3 13.1 24 46 A M G < S+ 0 0 0 -3,-1.7 2,-0.4 239,-0.2 -1,-0.3 0.087 104.8 78.5-125.2 21.6 8.6 3.1 13.8 25 47 A S < + 0 0 6 -3,-1.6 2,-0.3 237,-0.2 237,-0.2 -0.962 49.7 168.3-133.6 147.2 9.3 2.3 10.2 26 48 A D B -B 261 0A 27 235,-2.8 235,-2.4 -2,-0.4 -3,-0.0 -0.942 30.0-163.7-161.4 132.4 10.9 4.4 7.3 27 49 A E - 0 0 75 -2,-0.3 -1,-0.1 233,-0.2 235,-0.1 0.554 45.3-130.9 -90.3 -10.3 12.3 3.6 3.8 28 50 A F + 0 0 0 1,-0.2 36,-0.5 233,-0.1 35,-0.4 0.850 46.5 162.1 63.6 41.1 14.1 7.0 4.0 29 51 A E + 0 0 142 34,-0.3 3,-0.2 33,-0.1 2,-0.2 -0.489 38.9 39.1 -83.3 157.0 12.9 8.3 0.6 30 52 A G S S- 0 0 43 -2,-0.2 33,-0.4 1,-0.2 34,-0.2 -0.559 96.1 -72.9 101.5-169.3 13.2 12.0 -0.0 31 53 A K S S+ 0 0 175 1,-0.2 29,-0.6 -2,-0.2 2,-0.4 0.615 105.1 40.8-108.1 -20.5 15.7 14.7 0.8 32 54 A K S S- 0 0 179 -3,-0.2 -1,-0.2 27,-0.1 27,-0.1 -0.998 84.1-107.9-138.4 134.5 15.3 15.3 4.6 33 55 A I - 0 0 16 -2,-0.4 2,-0.9 1,-0.1 7,-0.1 -0.287 41.0-108.2 -59.4 143.6 14.8 12.9 7.5 34 56 A D >> - 0 0 69 1,-0.2 4,-2.3 2,-0.1 3,-0.9 -0.629 32.5-171.5 -78.1 105.9 11.3 13.0 9.0 35 57 A E T 34 S+ 0 0 90 -2,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.454 81.2 65.5 -84.7 1.4 11.7 14.8 12.3 36 58 A K T 34 S+ 0 0 178 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.697 115.5 31.8 -82.9 -21.0 8.2 14.1 13.4 37 59 A K T <4 S+ 0 0 39 -3,-0.9 56,-2.8 1,-0.2 57,-0.6 0.788 125.1 41.9 -97.5 -36.2 9.2 10.4 13.4 38 60 A W E < -P 92 0B 0 -4,-2.3 2,-0.5 54,-0.2 54,-0.2 -0.898 65.1-145.2-122.2 145.5 12.8 10.6 14.3 39 61 A Q E +P 91 0B 44 52,-3.1 52,-2.3 -2,-0.4 3,-0.1 -0.929 26.9 159.6-108.4 123.0 14.8 12.7 16.9 40 62 A I + 0 0 11 -2,-0.5 49,-0.3 1,-0.3 2,-0.3 0.434 69.0 23.1-120.7 -3.4 18.3 13.7 15.7 41 63 A S S S+ 0 0 59 14,-0.1 -1,-0.3 13,-0.1 3,-0.1 -0.948 105.5 45.1-152.8 160.9 18.9 16.7 18.1 42 64 A G S S+ 0 0 74 -2,-0.3 4,-0.1 1,-0.3 2,-0.0 0.375 78.4 139.2 82.4 -6.9 17.5 17.7 21.5 43 65 A Q - 0 0 19 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 -0.307 65.4-113.7 -64.5 160.1 17.9 14.1 22.8 44 66 A G S S+ 0 0 82 1,-0.1 2,-0.7 -3,-0.1 -1,-0.1 0.882 101.6 66.4 -60.8 -41.5 19.2 13.3 26.4 45 67 A W + 0 0 76 1,-0.2 -2,-0.2 3,-0.0 3,-0.1 -0.732 56.6 179.5 -93.8 112.5 22.4 11.7 25.2 46 68 A I - 0 0 49 -2,-0.7 7,-2.5 1,-0.3 -1,-0.2 0.629 59.3 -75.5 -83.1 -10.2 24.8 14.2 23.5 47 69 A G - 0 0 4 5,-0.2 2,-0.6 2,-0.1 -1,-0.3 -0.388 43.1 -87.2 126.7 146.0 27.5 11.6 22.7 48 70 A R S > S- 0 0 79 3,-0.2 3,-2.4 187,-0.2 187,-0.5 -0.798 74.4 -73.9 -82.8 128.0 30.2 9.7 24.6 49 71 A A T 3 S+ 0 0 22 -2,-0.6 34,-0.1 1,-0.3 -2,-0.1 -0.286 118.0 25.9 -62.7 142.4 33.3 11.9 24.5 50 72 A P T 3 S+ 0 0 35 0, 0.0 35,-2.6 0, 0.0 34,-1.9 -0.905 113.7 69.2-100.7 18.2 35.1 12.4 22.3 51 73 A G E < -v 85 0C 0 -3,-2.4 2,-0.5 32,-0.2 184,-0.3 -0.854 64.5-163.5-101.3 115.4 32.3 11.8 19.6 52 74 A L E -v 86 0C 11 33,-3.4 35,-2.6 -2,-0.6 2,-0.5 -0.814 21.8-122.6-100.8 131.9 29.6 14.4 19.6 53 75 A F E -v 87 0C 15 -7,-2.5 2,-0.5 -2,-0.5 35,-0.3 -0.591 31.1-164.1 -75.6 118.9 26.3 13.6 17.9 54 76 A L > - 0 0 22 33,-2.4 3,-1.3 -2,-0.5 4,-0.2 -0.930 24.3-151.3-105.7 134.0 25.6 16.2 15.2 55 77 A A G > S+ 0 0 30 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.872 100.4 63.0 -61.9 -34.3 22.3 16.7 13.5 56 78 A E G 3 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.1 32,-0.1 0.627 92.1 64.4 -65.9 -19.9 24.3 17.9 10.4 57 79 A N G < S+ 0 0 15 -3,-1.3 11,-2.7 30,-0.2 2,-0.5 0.464 85.2 86.9 -84.5 4.1 25.8 14.5 10.1 58 80 A I E < +C 67 0A 17 -3,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.856 56.3 155.6 -97.4 126.2 22.4 12.9 9.4 59 81 A S E -C 66 0A 38 7,-2.4 7,-3.3 -2,-0.5 2,-0.4 -0.971 32.6-136.9-142.5 164.6 21.4 13.0 5.6 60 82 A L E +C 65 0A 18 -29,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.945 27.4 161.4-117.3 142.3 19.1 11.1 3.2 61 83 A N E > -C 64 0A 80 3,-2.0 3,-0.8 -2,-0.4 -30,-0.1 -0.917 62.8 -4.7-156.0 140.6 20.1 10.1 -0.2 62 84 A N T 3 S- 0 0 142 -2,-0.3 -33,-0.1 1,-0.2 3,-0.1 0.796 127.8 -50.6 49.9 43.6 18.7 7.5 -2.7 63 85 A G T 3 S+ 0 0 9 -33,-0.4 2,-0.3 -35,-0.4 -34,-0.3 0.855 117.3 105.7 65.9 34.3 16.1 6.0 -0.3 64 86 A S E < -C 61 0A 7 -3,-0.8 -3,-2.0 -36,-0.5 2,-0.4 -0.993 68.8-124.2-141.1 154.1 18.7 5.5 2.5 65 87 A L E -CD 60 258A 0 193,-3.3 193,-2.6 -2,-0.3 2,-0.5 -0.824 27.5-160.8 -90.6 136.6 19.6 7.1 5.8 66 88 A Q E -CD 59 257A 28 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.5 -0.983 11.9-173.8-124.7 123.9 23.3 8.2 6.0 67 89 A I E -CD 58 256A 0 189,-2.5 189,-3.1 -2,-0.5 2,-0.5 -0.977 19.4-163.8-116.4 114.5 25.1 8.8 9.4 68 90 A T E - D 0 255A 8 -11,-2.7 2,-0.3 -2,-0.5 187,-0.3 -0.842 12.8-136.1-109.8 133.7 28.5 10.2 8.5 69 91 A T + 0 0 0 185,-3.2 2,-0.3 -2,-0.5 18,-0.2 -0.624 30.3 176.8 -83.4 143.8 31.5 10.5 10.8 70 92 A T E -W 86 0C 30 16,-2.2 16,-2.6 -2,-0.3 2,-0.5 -0.879 36.9-115.5-139.9 161.9 33.6 13.7 10.8 71 93 A M E -W 85 0C 87 -2,-0.3 14,-0.2 14,-0.2 175,-0.0 -0.889 43.0-122.0 -89.1 131.0 36.5 15.5 12.4 72 94 A L E - 0 0 12 12,-2.3 4,-0.0 -2,-0.5 14,-0.0 -0.572 17.0-126.6 -70.8 148.9 35.0 18.5 14.2 73 95 A P E S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 12,-0.0 0.832 92.3 4.8 -73.7 -23.3 36.7 21.6 12.8 74 96 A E E S- 0 0 146 9,-0.0 9,-0.0 -3,-0.0 0, 0.0 -0.980 96.5 -87.2-147.9 156.4 37.6 22.7 16.4 75 97 A P E - 0 0 85 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.251 34.9-150.9 -63.8 152.6 37.1 20.9 19.7 76 98 A I E -W 83 0C 61 7,-2.2 7,-2.9 2,-0.1 2,-0.6 -0.987 4.2-149.7-125.5 126.9 33.8 21.4 21.6 77 99 A V E +W 82 0C 93 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.900 24.9 163.5-101.5 122.0 33.7 21.1 25.4 78 100 A K E > -W 81 0C 99 3,-2.3 3,-1.8 -2,-0.6 -29,-0.1 -0.997 67.8 -0.1-136.5 135.4 30.5 19.9 26.9 79 101 A N T 3 S- 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.871 129.2 -61.1 54.2 40.1 30.0 18.5 30.5 80 102 A N T 3 S+ 0 0 164 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.647 115.2 111.2 59.6 20.3 33.7 19.2 31.2 81 103 A K E < - W 0 78C 132 -3,-1.8 -3,-2.3 -5,-0.0 2,-0.5 -0.943 66.9-122.9-121.6 148.8 34.8 16.8 28.5 82 104 A T E - W 0 77C 78 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.745 20.6-163.1 -90.4 128.7 36.5 17.5 25.2 83 105 A Y E + W 0 76C 9 -7,-2.9 -7,-2.2 -2,-0.5 -32,-0.2 -0.907 18.1 165.6-104.4 134.6 34.8 16.3 21.9 84 106 A T E + 0 0 44 -34,-1.9 -12,-2.3 -2,-0.4 2,-0.3 0.494 58.8 55.7-124.0 -13.5 37.0 16.2 18.8 85 107 A H E -vW 51 71C 4 -35,-2.6 -33,-3.4 -14,-0.2 2,-0.5 -0.891 68.9-133.1-126.1 153.8 34.8 14.0 16.4 86 108 A G E +vW 52 70C 0 -16,-2.6 -16,-2.2 -2,-0.3 -33,-0.2 -0.915 30.9 157.5-105.6 130.9 31.3 14.1 15.0 87 109 A G E -v 53 0C 0 -35,-2.6 -33,-2.4 -2,-0.5 2,-0.3 -0.292 30.6-120.3-119.9-149.3 28.9 11.1 15.0 88 110 A G E - Q 0 233B 0 145,-1.8 145,-2.9 -35,-0.3 2,-0.4 -0.993 11.0-152.4-160.9 159.9 25.2 11.0 14.8 89 111 A Y E + Q 0 232B 8 -49,-0.3 2,-0.4 -2,-0.3 143,-0.2 -0.996 8.9 179.8-139.2 130.9 22.1 9.9 16.7 90 112 A V E + Q 0 231B 0 141,-1.5 141,-2.8 -2,-0.4 2,-0.4 -0.950 11.9 177.0-133.8 117.7 18.7 9.0 15.3 91 113 A G E -PQ 39 230B 1 -52,-2.3 -52,-3.1 -2,-0.4 2,-0.3 -0.945 32.5-114.4-121.7 140.8 16.0 7.9 17.9 92 114 A S E -P 38 0B 3 137,-2.0 -54,-0.2 -2,-0.4 -68,-0.1 -0.542 13.7-154.4 -69.2 131.5 12.3 6.9 17.3 93 115 A R S S+ 0 0 105 -56,-2.8 2,-0.3 -2,-0.3 -1,-0.2 0.754 82.6 62.2 -78.9 -18.6 10.0 9.4 18.9 94 116 A N S S- 0 0 63 -57,-0.6 135,-0.5 -71,-0.4 2,-0.2 -0.800 73.0-163.7-104.1 143.8 7.4 6.6 19.1 95 117 A G - 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