==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-11 3ZXL . COMPND 2 MOLECULE: HIAXHD3; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR L.S.MCKEE,M.J.PENA,A.ROGOWSKI,A.JACKSON,R.J.LEWIS,W.S.YORK, . 1063 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 405 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 3 0.3 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 . 96 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 8 6 10 12 8 3 11 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 . 3 1 9 0 0 0 0 4 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 30 A S 0 0 95 0, 0.0 298,-2.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 110.6 2.5 -29.1 40.6 2 31 A T E -A 298 0A 98 296,-0.3 2,-0.3 298,-0.0 294,-0.0 -0.718 360.0-142.6-133.0 177.2 4.3 -26.5 42.8 3 32 A F E -A 297 0A 12 294,-2.5 294,-1.7 -2,-0.2 2,-0.4 -0.957 11.8-134.4-141.6 160.7 7.0 -23.7 42.6 4 33 A T E -A 296 0A 102 -2,-0.3 292,-0.3 292,-0.2 291,-0.1 -0.929 37.8 -82.6-117.2 145.7 9.8 -22.5 44.9 5 34 A N S S+ 0 0 14 290,-2.6 2,-0.1 -2,-0.4 266,-0.1 -0.646 99.6 50.5 -88.5 150.3 10.6 -18.9 45.7 6 35 A P - 0 0 17 0, 0.0 265,-0.2 0, 0.0 3,-0.2 0.566 67.0-159.7 -78.5 159.8 12.1 -16.7 44.5 7 36 A V S S+ 0 0 17 263,-1.5 41,-0.3 1,-0.3 2,-0.3 0.728 81.3 15.4 -80.6 -20.7 10.5 -17.0 41.0 8 37 A L - 0 0 25 262,-0.8 2,-1.4 39,-0.1 -1,-0.3 -0.899 65.8-153.2-151.5 116.9 13.2 -15.1 39.2 9 38 A W + 0 0 53 -2,-0.3 364,-2.2 -3,-0.2 2,-0.3 -0.405 63.5 103.3 -94.7 59.0 16.6 -14.6 40.8 10 39 A E S S- 0 0 15 -2,-1.4 2,-1.1 362,-0.2 362,-0.1 -0.986 84.9 -94.2-135.8 148.6 17.4 -11.4 38.7 11 40 A D + 0 0 7 255,-0.4 258,-0.2 -2,-0.3 -2,-0.1 -0.458 59.7 146.2 -63.8 97.0 17.3 -7.8 39.7 12 41 A H - 0 0 6 256,-2.1 3,-0.3 -2,-1.1 -1,-0.1 -0.622 26.1-179.6-131.8 78.8 13.8 -6.5 38.7 13 42 A P + 0 0 2 0, 0.0 16,-1.7 0, 0.0 256,-0.0 -0.186 52.1 26.2 -80.2 165.6 12.7 -3.9 41.2 14 43 A D S S- 0 0 12 14,-0.2 67,-0.5 1,-0.2 13,-0.1 0.862 82.6-167.3 56.9 44.5 9.5 -1.8 41.7 15 44 A L - 0 0 1 -3,-0.3 2,-0.4 65,-0.1 13,-0.2 -0.224 21.3-166.1 -71.3 146.6 7.4 -4.3 39.9 16 45 A E E -B 27 0B 0 11,-1.3 11,-2.1 230,-0.1 2,-0.4 -0.985 17.1-167.7-119.7 138.8 3.9 -3.6 38.6 17 46 A V E +B 26 0B 1 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.971 15.5 152.6-134.5 141.3 2.0 -6.8 37.6 18 47 A F E -B 25 0B 15 7,-1.9 7,-2.8 -2,-0.4 2,-0.4 -0.983 31.2-121.0-156.8 167.5 -1.3 -7.5 35.7 19 48 A R E -B 24 0B 58 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.874 12.4-173.3-114.4 140.8 -3.0 -10.1 33.6 20 49 A V E > S-B 23 0B 3 3,-2.9 3,-2.2 -2,-0.4 2,-0.2 -0.936 70.3 -58.3-126.2 110.9 -4.4 -9.8 30.0 21 50 A G T 3 S- 0 0 30 -2,-0.4 96,-0.2 1,-0.3 95,-0.1 -0.364 123.2 -10.3 56.7-121.4 -6.2 -13.1 29.3 22 51 A S T 3 S+ 0 0 53 94,-1.7 2,-0.4 -2,-0.2 -1,-0.3 0.423 122.7 83.8 -84.7 -2.0 -3.8 -16.0 29.7 23 52 A V E < -B 20 0B 0 -3,-2.2 -3,-2.9 93,-0.3 2,-0.4 -0.884 59.2-156.8-113.5 134.4 -0.6 -13.7 30.0 24 53 A F E -BC 19 42B 0 18,-3.1 18,-2.0 -2,-0.4 2,-0.3 -0.885 12.9-158.9-102.9 144.9 0.8 -11.9 33.0 25 54 A Y E -BC 18 41B 2 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.4 -0.906 5.2-165.7-125.2 149.5 3.0 -8.9 32.5 26 55 A Y E -BC 17 40B 0 14,-2.1 14,-3.0 -2,-0.3 2,-0.4 -0.999 1.6-164.6-141.7 123.5 5.6 -7.4 34.9 27 56 A S E -BC 16 39B 3 -11,-2.1 -11,-1.3 -2,-0.4 2,-0.2 -0.963 12.4-174.7-115.7 134.6 7.2 -4.0 34.5 28 57 A S - 0 0 3 10,-1.6 2,-0.3 -2,-0.4 -14,-0.2 -0.712 24.1-103.1-124.5 176.3 10.3 -3.0 36.5 29 58 A S - 0 0 4 -16,-1.7 50,-0.1 -2,-0.2 51,-0.1 -0.773 24.6-179.7-109.0 146.3 12.5 0.1 37.1 30 59 A T > - 0 0 0 -2,-0.3 3,-2.7 1,-0.3 49,-0.1 0.371 15.3-156.5-132.3 6.4 15.9 0.8 35.5 31 60 A F B 3 S-E 78 0C 4 47,-2.5 47,-1.9 1,-0.3 -1,-0.3 -0.305 79.8 -12.9 55.2-126.9 17.4 4.1 36.7 32 61 A A T 3 S+ 0 0 3 45,-0.2 300,-1.6 2,-0.1 -1,-0.3 0.304 103.3 118.3 -95.7 10.2 19.9 5.3 34.0 33 62 A Y E < -F 331 0D 2 -3,-2.7 298,-0.2 298,-0.2 45,-0.2 -0.580 64.7-115.4 -76.3 143.1 20.1 2.0 32.1 34 63 A S E S+F 330 0D 1 296,-2.6 296,-3.3 298,-0.4 2,-0.2 -0.985 96.8 39.2-138.1 124.5 18.9 2.3 28.5 35 64 A P S S- 0 0 28 0, 0.0 2,-0.2 0, 0.0 22,-0.1 0.482 95.9-154.7 -66.6 154.3 16.5 1.0 27.1 36 65 A G E + D 0 55B 0 19,-2.6 19,-2.2 -2,-0.2 18,-0.2 -0.646 53.1 31.3-108.1 158.7 14.5 1.6 30.3 37 66 A A E S- 0 0 0 -2,-0.2 17,-2.6 16,-0.2 -1,-0.2 0.980 71.2-149.5 66.4 65.2 11.4 -0.1 31.9 38 67 A P E - D 0 53B 2 0, 0.0 -10,-1.6 0, 0.0 2,-0.5 -0.276 1.5-147.3 -62.5 151.8 11.6 -3.8 30.9 39 68 A V E -CD 27 52B 0 13,-2.5 12,-2.7 -12,-0.2 13,-1.2 -0.996 12.9-162.7-119.5 119.8 8.4 -5.8 30.5 40 69 A L E -CD 26 50B 2 -14,-3.0 -14,-2.1 -2,-0.5 2,-0.3 -0.805 4.6-150.1 -99.1 157.3 8.5 -9.5 31.5 41 70 A K E +CD 25 49B 31 8,-2.6 8,-2.3 -2,-0.3 2,-0.3 -0.919 18.2 168.0-127.9 143.8 5.9 -12.0 30.4 42 71 A S E -C 24 0B 2 -18,-2.0 -18,-3.1 -2,-0.3 6,-0.1 -0.987 31.3-154.4-154.1 147.7 4.7 -15.3 32.1 43 72 A Y S S+ 0 0 22 4,-0.5 262,-0.2 -2,-0.3 5,-0.1 0.531 102.6 23.2 -95.1 -7.3 1.9 -17.8 31.7 44 73 A D S S- 0 0 15 3,-0.3 257,-0.3 -20,-0.1 4,-0.1 0.309 102.9-109.7-142.7 7.1 2.0 -18.9 35.4 45 74 A L S S+ 0 0 0 2,-0.2 3,-0.1 255,-0.1 -38,-0.1 0.453 108.3 70.9 69.2 3.9 3.6 -16.0 37.5 46 75 A V S S+ 0 0 9 1,-0.3 2,-0.8 -41,-0.0 -1,-0.1 0.782 85.2 53.2-118.0 -43.6 6.7 -18.2 37.9 47 76 A H S S- 0 0 130 -39,-0.0 -4,-0.5 2,-0.0 2,-0.4 -0.887 73.2-176.8-101.1 109.3 8.6 -18.6 34.7 48 77 A W - 0 0 20 -2,-0.8 -6,-0.2 -41,-0.3 -23,-0.0 -0.830 13.3-176.6-111.1 142.8 9.3 -15.2 33.3 49 78 A T E -D 41 0B 24 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.2 -1.000 30.9-114.4-136.0 140.3 11.0 -14.0 30.2 50 79 A P E +D 40 0B 27 0, 0.0 276,-0.3 0, 0.0 -10,-0.3 -0.501 36.6 167.8 -68.4 131.2 11.8 -10.4 29.0 51 80 A V E - 0 0 33 -12,-2.7 2,-0.3 1,-0.4 -11,-0.1 0.613 56.0 -18.2-122.2 -21.9 9.8 -9.3 25.9 52 81 A T E -D 39 0B 11 -13,-1.2 -13,-2.5 274,-0.1 -1,-0.4 -0.957 53.4-118.8-166.0 177.6 10.2 -5.6 25.4 53 82 A H E -D 38 0B 9 -2,-0.3 -16,-0.2 -15,-0.3 73,-0.2 -0.996 14.4-144.4-129.3 138.8 11.2 -2.3 27.1 54 83 A S E S+ 0 0 0 -17,-2.6 -17,-0.2 -2,-0.4 40,-0.1 0.709 95.2 44.0 -75.9 -19.6 8.7 0.6 27.5 55 84 A V E -D 36 0B 0 -19,-2.2 -19,-2.6 1,-0.1 -1,-0.2 -0.797 65.7-176.1-129.2 88.5 11.4 3.3 26.9 56 85 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.728 81.4 12.6 -61.6 -25.8 13.7 2.3 24.0 57 86 A R S S- 0 0 96 -22,-0.1 2,-0.3 -23,-0.1 -23,-0.0 -0.945 91.4-110.7-149.8 132.7 15.9 5.4 24.5 58 87 A L - 0 0 4 -2,-0.3 3,-0.2 6,-0.1 275,-0.1 -0.468 31.1-176.2 -70.5 120.7 15.7 7.6 27.6 59 88 A N + 0 0 50 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.205 47.7 109.6-107.4 42.4 14.3 11.0 26.6 60 89 A F S S- 0 0 15 1,-0.3 2,-0.2 43,-0.0 -1,-0.2 0.351 86.4 -50.5-104.8 6.5 14.6 12.7 30.0 61 90 A G > - 0 0 39 -3,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.634 61.0 -78.2 137.8 161.0 17.4 15.3 29.3 62 91 A S G > S+ 0 0 92 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.747 117.2 72.0 -67.2 -21.7 20.9 15.6 27.9 63 92 A N G > S+ 0 0 43 1,-0.3 3,-1.7 2,-0.2 10,-0.4 0.817 87.2 66.7 -62.4 -24.6 22.5 14.1 31.2 64 93 A Y G < S+ 0 0 0 -3,-1.7 269,-2.7 1,-0.3 -1,-0.3 0.588 92.2 60.5 -72.4 -11.1 21.0 10.7 30.1 65 94 A D G < S- 0 0 51 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.317 106.5-129.2 -93.2 6.5 23.4 10.7 27.1 66 95 A L < + 0 0 3 -3,-1.7 3,-0.4 1,-0.1 -3,-0.1 0.920 45.1 165.6 47.0 58.9 26.5 10.8 29.6 67 96 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.721 69.2 19.5 -77.1 -19.8 28.0 13.8 27.7 68 97 A S S S- 0 0 103 1,-0.5 4,-0.2 -5,-0.1 -2,-0.1 -0.176 105.4-100.9-153.6 44.0 30.5 14.9 30.4 69 98 A G > + 0 0 13 293,-0.4 3,-1.1 -3,-0.4 -1,-0.5 -0.061 69.9 27.0 69.7-166.0 31.3 12.1 32.9 70 99 A T T 3 S+ 0 0 12 1,-0.3 360,-0.2 2,-0.1 359,-0.1 -0.361 108.1 30.0 -71.5 152.8 29.9 11.6 36.4 71 100 A P T > S+ 0 0 47 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.999 81.3 142.4 -80.9 -4.1 27.6 12.3 38.0 72 101 A G T < S- 0 0 16 -3,-1.1 -8,-0.2 1,-0.3 -9,-0.1 -0.114 86.7 -44.3 44.5-127.9 25.7 12.1 34.6 73 102 A A T > S+ 0 0 0 -10,-0.4 3,-2.6 -41,-0.1 -1,-0.3 0.148 85.2 158.3-116.1 22.5 22.3 10.6 35.4 74 103 A Y T < S- 0 0 3 -3,-1.9 3,-0.1 1,-0.3 -43,-0.1 -0.126 74.2 -1.5 -51.7 129.9 23.6 7.8 37.7 75 104 A V T 3 S+ 0 0 11 1,-0.2 -1,-0.3 424,-0.1 -44,-0.1 0.605 117.9 90.7 65.3 12.0 20.8 6.6 40.0 76 105 A K < + 0 0 93 -3,-2.6 -1,-0.2 22,-0.0 -3,-0.1 0.208 57.9 71.0 -99.3-134.4 18.3 9.1 38.6 77 106 A G S S+ 0 0 3 -45,-0.1 2,-0.7 -3,-0.1 22,-0.3 -0.238 96.9 15.5 66.3-138.2 16.2 8.1 35.6 78 107 A I B +E 31 0C 0 -47,-1.9 -47,-2.5 -45,-0.2 -45,-0.1 -0.604 65.4 164.6 -89.4 105.7 13.4 5.5 36.0 79 108 A W - 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