==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-12 4AWD . COMPND 2 MOLECULE: BETA-PORPHYRANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES PLEBEIUS; . AUTHOR J.H.HEHEMANN,A.G.KELLY,N.A.PUDLO,E.C.MARTENS,A.B.BORASTON . 589 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 35.7 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 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 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 4 8 5 4 5 4 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 . 0 0 2 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 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 24 A K > 0 0 129 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 10.7 -13.2 -9.7 -24.3 2 25 A E T 3 + 0 0 90 1,-0.2 29,-0.3 2,-0.1 4,-0.2 0.724 360.0 34.2 -69.8 -19.6 -9.8 -11.3 -25.0 3 26 A Y T 3> S+ 0 0 57 2,-0.1 4,-2.1 1,-0.1 -1,-0.2 0.351 88.9 96.3-118.4 5.3 -11.1 -13.2 -28.1 4 27 A S H <> S+ 0 0 70 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.852 83.4 50.9 -66.9 -41.1 -13.7 -10.7 -29.6 5 28 A L H > S+ 0 0 88 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.906 112.1 48.1 -66.3 -39.5 -11.4 -9.1 -32.1 6 29 A A H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.875 110.4 51.0 -67.3 -40.8 -10.3 -12.6 -33.4 7 30 A E H >< S+ 0 0 112 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.935 110.9 49.0 -60.2 -46.9 -14.0 -13.7 -33.7 8 31 A E H >< S+ 0 0 113 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.826 100.8 66.2 -60.5 -33.7 -14.8 -10.6 -35.6 9 32 A H G >X S+ 0 0 17 -4,-1.6 3,-1.8 1,-0.2 4,-0.5 0.591 75.3 87.1 -67.6 -11.4 -11.8 -11.2 -37.9 10 33 A I G X4 S+ 0 0 39 -3,-1.4 3,-1.2 -4,-0.4 -1,-0.2 0.846 75.2 71.1 -57.9 -34.5 -13.5 -14.4 -39.3 11 34 A K G <4 S+ 0 0 146 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.807 100.0 47.3 -39.1 -41.9 -15.2 -12.1 -41.9 12 35 A N G <4 S+ 0 0 89 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.581 91.4 97.5 -89.4 -14.9 -11.8 -11.8 -43.5 13 36 A L S << S- 0 0 13 -3,-1.2 3,-0.1 -4,-0.5 2,-0.1 -0.268 89.7 -86.2 -67.6 157.6 -10.7 -15.4 -43.6 14 37 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.424 63.3 -84.2 -55.8 142.6 -11.2 -17.6 -46.7 15 38 A E - 0 0 91 1,-0.1 3,-0.1 -3,-0.1 6,-0.1 -0.288 48.8-117.5 -54.0 130.8 -14.6 -19.1 -46.8 16 39 A A - 0 0 30 1,-0.1 3,-0.1 4,-0.1 -1,-0.1 -0.363 38.6 -91.2 -62.3 149.5 -14.7 -22.3 -44.8 17 40 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.261 57.8 -78.8 -55.0 152.2 -15.6 -25.5 -46.7 18 41 A E T 3 S+ 0 0 197 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.328 121.6 24.1 -53.2 130.8 -19.2 -26.4 -46.9 19 42 A G T 3 S+ 0 0 40 1,-0.3 277,-2.9 -3,-0.1 278,-0.3 0.165 112.2 85.2 95.2 -15.3 -20.3 -28.1 -43.6 20 43 A Y E < -A 295 0A 115 -3,-2.2 2,-0.3 275,-0.3 -1,-0.3 -0.719 54.9-160.3-119.2 164.5 -17.6 -26.4 -41.6 21 44 A K E -A 294 0A 96 273,-2.8 273,-2.1 -2,-0.2 2,-0.3 -0.995 27.6-107.9-141.7 149.0 -17.0 -23.1 -39.7 22 45 A W E -A 293 0A 15 -2,-0.3 2,-0.4 271,-0.2 271,-0.2 -0.583 36.6-173.1 -76.5 137.3 -14.0 -21.1 -38.5 23 46 A V E -A 292 0A 40 269,-2.4 269,-3.0 -2,-0.3 -16,-0.0 -0.995 29.9-104.0-134.3 135.5 -13.5 -21.2 -34.7 24 47 A V E -A 291 0A 19 -2,-0.4 2,-0.9 267,-0.2 267,-0.3 -0.330 21.9-146.7 -59.4 131.7 -11.0 -19.2 -32.7 25 48 A N > - 0 0 15 265,-3.1 3,-1.4 1,-0.2 265,-0.4 -0.887 14.1-168.4 -95.9 102.2 -8.1 -21.3 -31.4 26 49 A E G > S+ 0 0 101 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.793 75.3 70.7 -63.8 -28.4 -7.5 -19.5 -28.1 27 50 A D G 3 S+ 0 0 53 1,-0.3 75,-0.3 -3,-0.1 -1,-0.3 0.696 111.3 27.4 -65.7 -22.5 -4.2 -21.3 -27.5 28 51 A Y G < S+ 0 0 2 -3,-1.4 2,-0.4 262,-0.1 -1,-0.3 -0.004 102.3 100.3-128.8 27.6 -2.3 -19.4 -30.2 29 52 A T < + 0 0 0 -3,-1.4 2,-0.3 260,-0.2 260,-0.2 -0.959 38.2 155.5-123.7 132.2 -4.4 -16.2 -30.3 30 53 A D B -B 288 0A 9 258,-3.4 258,-2.7 -2,-0.4 -27,-0.1 -0.890 31.0-167.6-161.6 128.9 -3.4 -13.0 -28.7 31 54 A E - 0 0 12 -29,-0.3 -1,-0.1 -2,-0.3 39,-0.1 0.590 34.5-141.0 -88.5 -14.5 -4.2 -9.3 -29.3 32 55 A F + 0 0 3 1,-0.1 36,-0.4 256,-0.1 34,-0.1 0.879 57.2 136.6 53.8 40.6 -1.4 -8.2 -27.0 33 56 A N + 0 0 97 35,-0.1 -1,-0.1 34,-0.1 34,-0.1 0.311 44.9 84.7-101.8 9.2 -3.7 -5.4 -25.7 34 57 A G S S- 0 0 47 2,-0.2 34,-0.4 32,-0.1 33,-0.2 -0.052 94.3 -92.7 -94.2-161.0 -2.8 -5.9 -22.0 35 58 A K S S+ 0 0 172 1,-0.1 2,-0.3 31,-0.1 30,-0.2 0.547 100.1 9.3 -95.1 -9.8 -0.1 -4.6 -19.7 36 59 A R S S- 0 0 174 28,-0.1 -2,-0.2 30,-0.0 2,-0.2 -0.978 89.6 -75.5-159.3 164.8 2.3 -7.6 -20.2 37 60 A L - 0 0 25 -2,-0.3 2,-1.1 26,-0.1 28,-0.1 -0.484 53.9-112.4 -64.1 136.0 3.0 -10.8 -22.2 38 61 A N >> - 0 0 52 1,-0.2 4,-2.1 -2,-0.2 3,-1.1 -0.655 29.1-166.4 -77.7 101.5 0.6 -13.5 -21.1 39 62 A A T 34 S+ 0 0 49 -2,-1.1 361,-0.2 1,-0.3 -1,-0.2 0.636 83.6 63.3 -69.8 -14.3 3.0 -15.9 -19.5 40 63 A A T 34 S+ 0 0 46 1,-0.1 -1,-0.3 359,-0.1 360,-0.1 0.855 116.5 28.7 -71.8 -32.9 0.4 -18.7 -19.4 41 64 A K T <4 S+ 0 0 18 -3,-1.1 60,-2.7 1,-0.1 61,-0.4 0.688 120.6 45.0 -99.5 -26.8 0.3 -18.7 -23.3 42 65 A W E < -J 100 0B 4 -4,-2.1 2,-0.6 58,-0.3 58,-0.2 -0.946 59.6-140.7-129.9 143.2 3.8 -17.6 -24.4 43 66 A H E -J 99 0B 6 56,-3.8 56,-1.9 -2,-0.4 3,-0.2 -0.926 14.8-158.0 -92.6 117.2 7.5 -18.2 -23.6 44 67 A A S S+ 0 0 31 -2,-0.6 2,-0.6 1,-0.3 53,-0.5 0.855 92.6 36.4 -62.3 -39.1 9.2 -14.7 -23.8 45 68 A K B S-k 97 0B 41 51,-0.1 -1,-0.3 -3,-0.1 53,-0.2 -0.951 101.3-124.6-112.8 108.9 12.4 -16.6 -24.4 46 69 A S - 0 0 0 51,-3.5 12,-0.1 -2,-0.6 52,-0.1 -0.205 9.6-152.6 -49.5 130.2 11.8 -19.7 -26.6 47 70 A P S S+ 0 0 8 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.533 90.7 60.5 -77.9 -5.0 13.0 -22.9 -24.9 48 71 A Y S S+ 0 0 45 1,-0.3 2,-0.6 2,-0.1 -2,-0.0 0.841 108.4 33.8 -96.2 -38.5 13.5 -24.4 -28.4 49 72 A W S S+ 0 0 58 1,-0.1 -1,-0.3 48,-0.1 -3,-0.1 -0.873 71.6 163.7-119.0 91.7 16.0 -22.1 -30.1 50 73 A T + 0 0 54 -2,-0.6 2,-0.5 -3,-0.3 8,-0.5 0.840 63.6 40.6 -85.1 -39.3 18.2 -21.1 -27.1 51 74 A N S S- 0 0 38 6,-0.1 -1,-0.2 33,-0.1 6,-0.1 -0.965 84.1-138.8-117.3 118.3 21.2 -19.7 -28.9 52 75 A G - 0 0 4 -2,-0.5 5,-0.2 1,-0.2 209,-0.1 0.171 35.1 -76.7 -64.5-176.8 20.6 -17.6 -32.0 53 76 A R S > S- 0 0 73 209,-0.2 3,-2.1 4,-0.1 209,-0.3 -0.783 79.9 -72.8 -82.0 117.3 22.5 -17.5 -35.3 54 77 A P T 3 S+ 0 0 55 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.229 119.1 29.4 -53.7 141.1 25.7 -15.6 -34.6 55 78 A P T 3 S+ 0 0 26 0, 0.0 37,-2.2 0, 0.0 38,-2.0 -0.931 121.5 49.4 -99.8 20.1 26.1 -12.8 -34.1 56 79 A A E < +r 93 0C 2 -3,-2.1 206,-0.3 35,-0.2 38,-0.2 -0.932 55.7 171.9-114.8 139.6 22.6 -12.4 -32.6 57 80 A T E -r 94 0C 3 36,-2.3 38,-3.4 -2,-0.4 2,-0.4 -0.432 33.3 -93.3-119.5-157.7 20.9 -14.4 -30.0 58 81 A F E -r 95 0C 1 -8,-0.5 2,-0.4 36,-0.2 38,-0.3 -0.967 29.7-174.0-128.2 135.4 17.6 -14.0 -28.0 59 82 A K > - 0 0 30 36,-2.7 3,-1.3 -2,-0.4 38,-0.1 -0.984 28.7-137.5-128.6 143.7 16.8 -12.4 -24.7 60 83 A A G > S+ 0 0 37 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.863 104.2 64.8 -58.2 -38.5 13.6 -12.2 -22.7 61 84 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 35,-0.1 0.643 93.0 62.8 -62.3 -17.0 14.2 -8.6 -21.9 62 85 A N G < S+ 0 0 10 -3,-1.3 11,-2.7 33,-0.3 2,-0.5 0.415 91.3 79.9 -86.6 -0.9 13.9 -7.8 -25.6 63 86 A V E < +C 72 0A 17 -3,-2.0 2,-0.3 9,-0.2 9,-0.2 -0.939 56.6 149.6-112.8 120.5 10.3 -8.9 -25.6 64 87 A S E -C 71 0A 52 7,-2.6 7,-3.5 -2,-0.5 2,-0.4 -0.906 38.4-135.2-139.1 172.5 7.5 -6.6 -24.3 65 88 A V E +C 70 0A 11 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.986 38.8 152.1-128.9 119.0 3.8 -5.8 -24.8 66 89 A K E > -C 69 0A 103 3,-2.2 3,-1.5 -2,-0.4 -31,-0.1 -0.987 57.8 -3.2-152.9 137.3 3.0 -2.2 -25.0 67 90 A K T 3 S- 0 0 169 -2,-0.3 -34,-0.1 1,-0.3 3,-0.1 0.831 129.6 -44.5 50.1 45.1 0.3 -0.0 -26.6 68 91 A G T 3 S+ 0 0 17 -36,-0.4 2,-0.4 -34,-0.4 -1,-0.3 0.443 118.1 95.5 89.5 0.2 -1.5 -2.9 -28.4 69 92 A C E < S-C 66 0A 13 -3,-1.5 -3,-2.2 -36,-0.0 2,-0.5 -0.963 70.3-129.4-130.5 140.7 1.6 -4.6 -29.8 70 93 A L E -CD 65 285A 0 215,-3.3 215,-2.9 -2,-0.4 2,-0.5 -0.750 38.6-155.4 -70.7 129.6 3.9 -7.4 -29.0 71 94 A R E -CD 64 284A 56 -7,-3.5 -7,-2.6 -2,-0.5 2,-0.6 -0.968 20.1-176.2-117.7 121.6 7.3 -5.7 -29.4 72 95 A I E -CD 63 283A 0 211,-2.4 211,-2.5 -2,-0.5 2,-0.3 -0.945 18.3-166.8-113.3 107.2 10.5 -7.6 -30.2 73 96 A I E - D 0 282A 30 -11,-2.7 2,-0.5 -2,-0.6 209,-0.2 -0.706 14.9-138.2 -98.1 142.8 13.4 -5.1 -30.1 74 97 A N + 0 0 1 207,-2.1 2,-0.3 -2,-0.3 21,-0.2 -0.885 32.3 171.5 -97.9 128.2 16.9 -5.6 -31.4 75 98 A T E -S 94 0C 46 19,-2.6 19,-3.3 -2,-0.5 2,-0.2 -0.896 41.1 -92.9-132.9 158.4 19.7 -4.3 -29.1 76 99 A V E -S 93 0C 72 -2,-0.3 2,-0.6 17,-0.2 17,-0.3 -0.529 43.2-133.9 -60.0 132.3 23.4 -4.2 -28.7 77 100 A L E - 0 0 9 15,-2.9 4,-0.1 -2,-0.2 -1,-0.0 -0.884 25.2-147.4 -98.1 120.8 24.3 -7.1 -26.4 78 101 A S E S+ 0 0 83 -2,-0.6 2,-0.2 1,-0.1 14,-0.1 -0.987 77.3 31.0-144.3 127.4 26.8 -6.1 -23.7 79 102 A P E S- 0 0 62 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.528 103.1-112.6 -67.1 158.6 28.9 -7.6 -22.5 80 103 A T E - 0 0 52 -2,-0.2 8,-0.5 1,-0.1 2,-0.3 -0.101 41.3-145.3 -45.8 153.0 29.5 -9.8 -25.6 81 104 A E E -ST 91 87C 2 10,-2.7 10,-3.6 6,-0.3 9,-0.8 -0.958 22.9-159.9-137.1 151.3 28.5 -13.5 -25.1 82 105 A G > - 0 0 11 4,-3.1 3,-0.5 -2,-0.3 6,-0.2 0.106 65.1 -34.6 -90.3-144.0 29.3 -17.1 -25.9 83 106 A L G > S+ 0 0 86 1,-0.2 3,-1.6 4,-0.2 -1,-0.3 -0.514 120.8 6.1 -81.6 147.2 26.7 -19.9 -25.6 84 107 A D G 3 S- 0 0 96 1,-0.3 -1,-0.2 -2,-0.2 -33,-0.1 0.824 131.1 -52.3 54.1 43.8 24.0 -20.0 -22.9 85 108 A G G < S+ 0 0 14 -3,-0.5 -1,-0.3 1,-0.2 398,-0.2 0.363 101.4 134.2 81.2 -5.5 24.6 -16.5 -21.3 86 109 A K < - 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