==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-FEB-04 1VAV . COMPND 2 MOLECULE: ALGINATE LYASE PA1167; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.YAMASAKI,S.MORIWAKI,O.MIYAKE,W.HASHIMOTO,K.MURATA,B.MIKAMI . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 45.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 56 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 1 3 5 6 5 2 0 2 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 0 0 0 0 1 1 2 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 2 A P 0 0 51 0, 0.0 2,-0.6 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0 150.0 4.7 5.4 61.1 2 3 A D - 0 0 97 215,-0.4 3,-0.4 1,-0.1 217,-0.1 -0.612 360.0-178.5 -75.9 118.3 1.8 7.4 62.6 3 4 A L > + 0 0 0 -2,-0.6 3,-1.6 1,-0.2 -1,-0.1 0.349 54.7 104.4 -97.9 5.5 0.9 5.9 65.9 4 5 A S T 3 S+ 0 0 42 1,-0.3 64,-0.2 20,-0.1 -1,-0.2 0.768 82.4 46.6 -56.7 -30.0 -1.9 8.4 66.5 5 6 A T T 3 S+ 0 0 48 -3,-0.4 59,-2.1 62,-0.1 2,-0.3 0.003 104.5 69.7-107.2 30.9 -4.6 5.9 65.6 6 7 A W E < -A 63 0A 1 -3,-1.6 2,-0.3 57,-0.3 57,-0.2 -0.967 50.5-163.4-142.0 155.9 -3.4 2.9 67.6 7 8 A N E -A 62 0A 18 55,-1.8 55,-2.1 -2,-0.3 2,-0.4 -0.792 28.5-129.8-124.7 171.6 -3.0 1.6 71.2 8 9 A L E -AB 61 19A 0 11,-2.8 11,-4.2 -2,-0.3 2,-0.5 -0.983 11.6-155.7-136.1 133.0 -0.8 -1.4 72.0 9 10 A T E -AB 60 18A 14 51,-2.3 51,-1.9 -2,-0.4 9,-0.2 -0.887 24.1-164.2-101.9 129.7 -1.1 -4.6 73.9 10 11 A I - 0 0 13 7,-2.4 49,-0.2 -2,-0.5 7,-0.1 -0.599 30.0-113.0-109.0 171.0 2.2 -6.0 75.1 11 12 A P S S+ 0 0 4 0, 0.0 38,-2.3 0, 0.0 2,-0.3 -0.093 87.6 85.4 -95.5 36.2 3.4 -9.4 76.4 12 13 A Q > + 0 0 113 5,-0.2 5,-2.2 36,-0.2 -2,-0.2 -0.976 64.3 46.8-133.4 149.1 4.1 -8.2 80.0 13 14 A G T 5S- 0 0 24 -2,-0.3 37,-0.1 3,-0.2 4,-0.1 0.029 86.4 -78.9 100.1 149.3 1.7 -7.9 83.0 14 15 A R T 5S+ 0 0 211 2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.902 128.3 20.0-131.9 104.7 -0.8 -10.4 84.3 15 16 A P T 5S- 0 0 57 0, 0.0 36,-0.2 0, 0.0 -1,-0.1 0.590 126.4 -88.6 -69.9 174.5 -3.1 -10.2 82.6 16 17 A A T 5 - 0 0 15 34,-2.2 2,-0.2 -2,-0.2 -3,-0.2 -0.174 45.3-121.4 -52.2 136.7 -1.4 -8.5 79.6 17 18 A I < - 0 0 84 -5,-2.2 -7,-2.4 -7,-0.1 2,-0.6 -0.555 12.2-145.3 -84.7 143.8 -1.2 -4.7 79.7 18 19 A T E -B 9 0A 70 -9,-0.2 2,-0.5 -2,-0.2 -9,-0.3 -0.950 13.7-143.1-109.8 119.7 -2.6 -2.5 77.1 19 20 A I E -B 8 0A 6 -11,-4.2 -11,-2.8 -2,-0.6 5,-0.0 -0.730 26.0-121.1 -82.6 122.1 -0.6 0.7 76.5 20 21 A S > - 0 0 42 -2,-0.5 4,-2.3 -13,-0.2 5,-0.2 -0.101 17.0-112.3 -61.3 160.8 -2.9 3.6 75.8 21 22 A T H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 120.3 52.6 -58.5 -43.7 -2.8 5.6 72.6 22 23 A S H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.946 109.2 46.5 -56.8 -53.1 -1.7 8.5 74.7 23 24 A Q H 4 S+ 0 0 85 1,-0.2 5,-0.4 2,-0.2 -1,-0.2 0.852 111.3 54.4 -58.9 -35.5 1.2 6.6 76.3 24 25 A L H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.892 106.0 51.3 -65.8 -40.4 2.1 5.3 72.9 25 26 A Q H < S+ 0 0 68 -4,-2.2 2,-2.0 1,-0.3 -1,-0.2 0.822 92.0 75.7 -67.0 -33.0 2.3 8.9 71.5 26 27 A R T < S- 0 0 167 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.095 126.3 -92.7 -74.0 42.2 4.7 9.9 74.4 27 28 A D T 4 - 0 0 124 -2,-2.0 -2,-0.2 -3,-0.3 -1,-0.1 0.883 57.1-163.7 49.1 49.1 7.4 8.1 72.6 28 29 A Y < + 0 0 50 -4,-1.1 2,-0.3 -5,-0.4 7,-0.2 -0.372 12.3 177.2 -63.1 138.8 6.8 4.8 74.4 29 30 A R + 0 0 145 5,-0.1 2,-0.3 -2,-0.1 5,-0.2 -0.992 11.3 139.5-148.8 137.0 9.7 2.3 74.1 30 31 A S B > -I 33 0B 27 3,-1.9 3,-0.8 -2,-0.3 -2,-0.0 -0.925 66.5 -81.1-159.8 178.7 10.4 -1.1 75.5 31 32 A D T 3 S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.807 128.2 51.4 -60.5 -27.7 11.9 -4.5 74.5 32 33 A Y T 3 S+ 0 0 32 1,-0.2 11,-1.6 10,-0.1 2,-0.3 0.674 120.7 20.7 -84.8 -19.6 8.5 -5.3 72.9 33 34 A F E < +IJ 30 42B 0 -3,-0.8 -3,-1.9 9,-0.2 2,-0.4 -0.892 66.6 169.8-155.8 119.2 8.0 -2.2 70.8 34 35 A Q E - J 0 41B 51 7,-1.9 7,-3.3 -2,-0.3 2,-0.7 -0.993 31.9-136.0-138.7 136.6 10.6 0.3 69.5 35 36 A R E + J 0 40B 86 -2,-0.4 5,-0.2 -7,-0.2 2,-0.2 -0.777 43.3 172.2 -83.7 118.6 10.6 3.2 67.1 36 37 A T E > - J 0 39B 41 3,-4.5 3,-0.7 -2,-0.7 177,-0.0 -0.576 51.3 -94.9-119.4-175.9 13.8 2.6 65.1 37 38 A A T 3 S+ 0 0 109 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.728 127.9 48.8 -72.6 -20.5 15.5 4.1 62.1 38 39 A D T 3 S- 0 0 80 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.425 124.3 -97.7 -97.7 -1.4 13.9 1.3 60.1 39 40 A G E < S-J 36 0B 11 -3,-0.7 -3,-4.5 176,-0.1 2,-0.5 -0.978 75.6 -7.2 127.9-136.5 10.4 1.8 61.5 40 41 A I E -JK 35 214B 1 174,-2.3 174,-2.6 -2,-0.4 2,-0.6 -0.893 57.2-154.5-106.5 125.4 8.7 0.0 64.3 41 42 A R E -JK 34 213B 64 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.3 -0.880 9.9-166.7-103.9 117.5 10.3 -3.0 65.9 42 43 A F E +JK 33 212B 0 170,-3.4 170,-2.0 -2,-0.6 2,-0.3 -0.774 7.1 179.6-101.1 145.6 8.0 -5.6 67.5 43 44 A W E - K 0 211B 52 -11,-1.6 168,-0.2 -2,-0.3 15,-0.1 -0.968 5.9-179.0-148.0 127.3 9.3 -8.4 69.8 44 45 A V E - K 0 210B 0 166,-2.8 166,-2.2 -2,-0.3 2,-0.2 -0.928 20.1-143.5-132.2 109.5 7.2 -11.1 71.6 45 46 A P E > - K 0 209B 9 0, 0.0 3,-2.2 0, 0.0 164,-0.3 -0.503 22.5-127.0 -68.8 135.9 8.9 -13.7 73.8 46 47 A V T 3 S+ 0 0 0 162,-2.6 163,-0.1 159,-0.3 160,-0.1 0.749 110.4 50.4 -57.9 -23.3 7.1 -17.0 73.4 47 48 A N T 3 S+ 0 0 81 161,-0.4 -1,-0.3 158,-0.2 159,-0.1 0.082 86.7 126.7-102.2 24.7 6.6 -17.2 77.2 48 49 A G < - 0 0 8 -3,-2.2 -36,-0.2 1,-0.1 -32,-0.1 -0.213 68.1 -81.4 -73.8 171.2 5.2 -13.7 77.5 49 50 A S - 0 0 5 -38,-2.3 9,-0.5 9,-0.1 2,-0.3 -0.284 42.1-135.4 -74.5 160.1 1.9 -12.9 79.2 50 51 A H B -P 57 0C 52 7,-0.2 -34,-2.2 4,-0.1 5,-0.1 -0.792 17.8-106.2-116.0 158.0 -1.5 -13.3 77.6 51 52 A T > - 0 0 34 5,-0.5 3,-1.5 -2,-0.3 -34,-0.1 -0.306 48.1 -95.8 -71.8 165.5 -4.6 -11.2 77.4 52 53 A R T 3 S+ 0 0 201 1,-0.3 -1,-0.1 -36,-0.2 -2,-0.0 0.797 123.0 36.0 -55.1 -33.5 -7.5 -12.4 79.5 53 54 A N T 3 S+ 0 0 163 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.258 109.0 72.9-107.1 13.2 -9.2 -14.3 76.7 54 55 A S < - 0 0 12 -3,-1.5 -4,-0.1 1,-0.1 0, 0.0 -0.910 58.2-153.4-128.2 156.2 -6.2 -15.5 74.8 55 56 A E S S+ 0 0 125 -2,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.399 76.9 71.3-104.7 -0.1 -3.6 -18.2 75.4 56 57 A F S S- 0 0 55 143,-0.1 -5,-0.5 -5,-0.0 146,-0.1 -0.914 77.6-119.4-122.7 146.8 -0.8 -16.6 73.4 57 58 A P B +P 50 0C 0 0, 0.0 142,-1.9 0, 0.0 2,-0.3 -0.321 33.5 179.6 -75.8 161.3 1.4 -13.5 73.9 58 59 A R E - C 0 198A 22 -9,-0.5 2,-0.4 140,-0.2 140,-0.2 -0.991 36.4-158.9-159.9 159.3 1.5 -10.5 71.6 59 60 A S E + C 0 197A 0 138,-2.4 138,-2.9 -2,-0.3 2,-0.4 -0.866 51.7 149.0-138.6 90.7 2.9 -7.1 70.9 60 61 A E E -AC 9 196A 0 -51,-1.9 -51,-2.3 -2,-0.4 136,-0.3 -0.997 45.1-129.2-140.8 138.5 0.2 -5.9 68.6 61 62 A L E -AC 8 195A 0 134,-3.3 134,-1.5 -2,-0.4 2,-0.4 -0.587 19.1-159.9 -84.4 144.2 -1.5 -2.6 67.8 62 63 A R E -AC 7 194A 35 -55,-2.1 -55,-1.8 -2,-0.2 132,-0.2 -0.989 28.8-103.1-126.6 134.1 -5.3 -2.2 67.9 63 64 A E E +A 6 0A 3 130,-2.2 8,-2.0 -2,-0.4 2,-0.3 -0.293 50.2 160.3 -60.4 132.5 -7.1 0.5 66.0 64 65 A T B -Q 70 0D 2 -59,-2.1 2,-0.1 6,-0.3 5,-0.1 -0.913 42.7 -95.6-145.4 169.7 -8.4 3.5 68.0 65 66 A L > - 0 0 55 4,-3.3 3,-3.1 -2,-0.3 -44,-0.1 -0.474 51.0-100.2 -80.8 161.3 -9.5 7.1 67.8 66 67 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 -60,-0.1 0.721 125.1 67.4 -56.6 -17.4 -6.8 9.7 68.5 67 68 A S T 3 S- 0 0 68 2,-0.1 -1,-0.3 1,-0.1 -45,-0.2 0.533 118.8-110.9 -79.2 -7.8 -8.4 9.9 71.9 68 69 A G S < S+ 0 0 21 -3,-3.1 -47,-0.1 1,-0.4 -2,-0.1 0.312 76.0 135.1 93.8 -9.6 -7.3 6.3 72.7 69 70 A R - 0 0 145 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.541 68.2 -97.8 -74.0 135.3 -10.9 5.1 72.5 70 71 A P B -Q 64 0D 72 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.274 36.4-141.7 -55.4 134.1 -11.2 1.8 70.5 71 72 A Y + 0 0 73 -8,-2.0 2,-0.5 -66,-0.1 122,-0.2 -0.893 23.8 174.0-107.1 114.1 -12.3 2.4 66.9 72 73 A N - 0 0 56 -2,-0.6 2,-0.3 120,-0.1 120,-0.2 -0.978 12.2-173.5-119.6 121.1 -14.8 -0.0 65.4 73 74 A W B -D 191 0A 9 118,-3.4 118,-3.4 -2,-0.5 2,-0.5 -0.804 25.6-132.3-118.9 155.9 -16.2 0.8 62.0 74 75 A R > - 0 0 88 -2,-0.3 3,-1.5 116,-0.2 4,-0.2 -0.881 28.0-129.0-100.2 135.6 -18.8 -0.6 59.5 75 76 A Y G > S+ 0 0 22 -2,-0.5 3,-1.6 111,-0.3 92,-0.2 0.765 98.0 72.4 -57.3 -29.3 -17.3 -0.8 56.0 76 77 A A G 3 S+ 0 0 45 111,-0.3 -1,-0.3 1,-0.3 89,-0.1 0.714 82.9 71.7 -61.1 -21.7 -20.2 1.0 54.3 77 78 A R G < S- 0 0 165 -3,-1.5 2,-0.3 1,-0.1 -1,-0.3 0.683 115.5 -34.6 -70.6 -17.9 -19.0 4.4 55.7 78 79 A A S < S- 0 0 11 -3,-1.6 2,-0.7 -4,-0.2 -1,-0.1 -0.983 76.8 -62.6 178.6 179.0 -15.9 4.5 53.5 79 80 A D - 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