==== 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 3ZXJ . 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, . 1061 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 63.6 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 . 408 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 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 . 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 . 101 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 . 5 8 6 10 12 8 3 10 3 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 28 A Q 0 0 100 0, 0.0 2,-0.1 0, 0.0 303,-0.0 0.000 360.0 360.0 360.0 143.9 -17.1 -32.2 -9.1 2 29 A A - 0 0 67 1,-0.1 303,-0.3 298,-0.0 3,-0.1 -0.447 360.0-172.2 -63.1 136.5 -16.0 -30.0 -6.3 3 30 A S + 0 0 72 -2,-0.1 298,-2.9 301,-0.1 2,-0.3 0.529 69.1 40.7-106.5 -11.8 -18.8 -29.0 -3.9 4 31 A T E -A 300 0A 72 296,-0.3 2,-0.3 298,-0.0 294,-0.0 -0.868 65.2-150.4-129.4 166.0 -16.8 -26.4 -1.9 5 32 A F E -A 299 0A 9 294,-2.4 294,-1.6 -2,-0.3 2,-0.4 -0.916 13.8-131.4-129.7 159.2 -14.2 -23.7 -2.5 6 33 A T E -A 298 0A 98 -2,-0.3 292,-0.2 292,-0.2 291,-0.1 -0.898 36.0 -84.6-111.9 145.8 -11.4 -22.3 -0.4 7 34 A N S S+ 0 0 12 290,-2.9 266,-0.1 -2,-0.4 2,-0.1 -0.642 101.6 49.8 -86.4 146.8 -10.6 -18.6 0.3 8 35 A P - 0 0 17 0, 0.0 265,-0.2 0, 0.0 3,-0.2 0.587 69.0-161.4 -75.0 153.8 -9.0 -16.5 -1.2 9 36 A V S S+ 0 0 18 263,-1.5 2,-0.4 1,-0.3 41,-0.3 0.803 81.3 17.4 -77.2 -27.5 -10.8 -17.2 -4.5 10 37 A L - 0 0 26 262,-0.8 2,-1.1 39,-0.1 -1,-0.3 -0.960 68.7-152.4-142.4 123.2 -8.2 -15.4 -6.6 11 38 A W + 0 0 53 -2,-0.4 364,-2.0 -3,-0.2 2,-0.3 -0.414 63.3 99.2 -94.3 59.9 -4.7 -14.8 -5.2 12 39 A E S S- 0 0 14 -2,-1.1 2,-0.9 362,-0.2 362,-0.1 -0.991 85.0 -93.1-145.4 146.8 -3.9 -11.8 -7.3 13 40 A D + 0 0 5 255,-0.4 258,-0.2 360,-0.4 -2,-0.1 -0.467 58.7 145.4 -68.9 101.6 -4.1 -8.1 -6.5 14 41 A H - 0 0 5 256,-2.0 3,-0.3 -2,-0.9 -1,-0.1 -0.674 28.4-178.6-136.9 75.0 -7.6 -6.8 -7.7 15 42 A P + 0 0 1 0, 0.0 16,-1.8 0, 0.0 256,-0.0 -0.166 52.6 28.2 -80.7 167.8 -8.6 -4.1 -5.2 16 43 A D S S- 0 0 13 14,-0.2 67,-0.5 1,-0.2 230,-0.1 0.816 86.3-164.1 59.9 38.0 -11.7 -1.9 -4.8 17 44 A L - 0 0 0 -3,-0.3 2,-0.4 65,-0.1 13,-0.2 -0.089 22.7-166.3 -63.6 146.0 -13.8 -4.6 -6.4 18 45 A E E -B 29 0B 0 11,-1.5 11,-2.3 230,-0.1 2,-0.4 -0.995 13.6-169.7-120.9 136.0 -17.3 -4.2 -7.8 19 46 A V E +B 28 0B 1 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.976 13.7 154.7-127.4 141.0 -19.2 -7.5 -8.6 20 47 A F E -B 27 0B 15 7,-1.9 7,-2.9 -2,-0.4 2,-0.4 -0.957 30.8-123.1-152.1 170.7 -22.5 -8.1 -10.5 21 48 A R E -B 26 0B 64 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.964 14.2-175.0-122.4 135.7 -24.2 -10.8 -12.4 22 49 A V E > S-B 25 0B 3 3,-3.0 3,-2.6 -2,-0.4 2,-0.2 -0.978 70.5 -54.3-123.3 112.6 -25.6 -10.8 -15.9 23 50 A G T 3 S- 0 0 25 -2,-0.4 96,-0.2 1,-0.3 95,-0.1 -0.364 123.3 -16.2 58.5-118.9 -27.4 -14.1 -16.6 24 51 A S T 3 S+ 0 0 30 94,-1.9 2,-0.5 -2,-0.2 -1,-0.3 0.284 121.5 89.5 -96.7 6.8 -25.0 -16.9 -15.8 25 52 A V E < -B 22 0B 0 -3,-2.6 -3,-3.0 93,-0.2 2,-0.4 -0.912 59.5-155.1-114.1 129.5 -21.9 -14.7 -15.8 26 53 A F E -BC 21 44B 0 18,-3.3 18,-1.9 -2,-0.5 2,-0.3 -0.858 13.8-156.9 -95.1 140.1 -20.4 -12.8 -12.8 27 54 A Y E -BC 20 43B 2 -7,-2.9 -7,-1.9 -2,-0.4 2,-0.4 -0.899 6.2-166.3-119.7 147.7 -18.3 -9.7 -13.6 28 55 A Y E -BC 19 42B 0 14,-2.1 14,-2.7 -2,-0.3 2,-0.4 -0.999 0.7-165.9-138.0 126.5 -15.7 -8.1 -11.4 29 56 A S E -BC 18 41B 3 -11,-2.3 -11,-1.5 -2,-0.4 2,-0.2 -0.958 11.5-175.0-117.8 131.9 -14.1 -4.7 -11.9 30 57 A S - 0 0 3 10,-1.8 2,-0.3 -2,-0.4 -14,-0.2 -0.772 24.1-107.2-123.1 171.3 -10.9 -3.5 -10.0 31 58 A S + 0 0 4 -16,-1.8 50,-0.1 -2,-0.2 51,-0.1 -0.699 24.5 179.5-100.5 152.6 -8.8 -0.4 -9.6 32 59 A T > - 0 0 0 -2,-0.3 3,-2.5 1,-0.2 49,-0.1 0.337 16.1-155.5-139.8 2.3 -5.4 0.1 -11.2 33 60 A F B 3 S-E 80 0C 6 47,-2.6 47,-1.8 1,-0.3 -1,-0.2 -0.257 78.8 -11.7 58.4-128.4 -4.0 3.5 -10.3 34 61 A A T 3 S+ 0 0 2 45,-0.2 300,-1.7 2,-0.0 -1,-0.3 0.305 103.7 118.1 -92.7 11.1 -1.4 4.6 -13.0 35 62 A Y E < -F 333 0D 2 -3,-2.5 298,-0.2 298,-0.2 45,-0.2 -0.570 64.6-115.0 -77.8 144.5 -1.2 1.2 -14.7 36 63 A S E S+F 332 0D 2 296,-2.6 296,-3.5 298,-0.4 2,-0.2 -0.991 94.8 34.9-139.3 125.4 -2.4 1.2 -18.3 37 64 A P S S- 0 0 29 0, 0.0 2,-0.2 0, 0.0 22,-0.1 0.450 96.3-158.9 -68.6 159.3 -4.8 -0.1 -19.6 38 65 A G E + D 0 57B 0 19,-2.7 19,-2.2 -2,-0.2 18,-0.1 -0.633 49.4 35.5-112.6 169.0 -6.8 0.4 -16.5 39 66 A A E S- 0 0 0 -2,-0.2 17,-2.8 16,-0.2 -1,-0.2 0.976 71.3-151.0 59.5 66.7 -9.9 -1.0 -14.7 40 67 A P E - D 0 55B 1 0, 0.0 -10,-1.8 0, 0.0 2,-0.4 -0.284 2.5-146.9 -63.6 153.5 -9.7 -4.7 -15.6 41 68 A V E -CD 29 54B 0 13,-2.6 12,-3.0 -12,-0.2 13,-1.4 -0.989 14.2-168.3-120.0 127.8 -12.9 -6.7 -15.8 42 69 A L E -CD 28 52B 1 -14,-2.7 -14,-2.1 -2,-0.4 2,-0.3 -0.843 5.8-151.1-110.3 155.2 -12.8 -10.4 -14.7 43 70 A K E +CD 27 51B 4 8,-2.7 8,-1.9 -2,-0.3 2,-0.3 -0.954 15.9 171.3-127.7 152.4 -15.5 -13.0 -15.3 44 71 A S E -C 26 0B 0 -18,-1.9 -18,-3.3 -2,-0.3 6,-0.1 -0.979 29.1-153.8-148.6 150.3 -16.6 -16.1 -13.5 45 72 A Y S S+ 0 0 38 4,-0.4 5,-0.1 263,-0.4 264,-0.1 0.461 102.5 24.8 -97.4 -6.5 -19.4 -18.6 -13.7 46 73 A D S S- 0 0 5 3,-0.3 257,-0.4 262,-0.1 4,-0.1 0.338 101.1-111.8-140.5 7.0 -19.1 -19.5 -10.0 47 74 A L S S+ 0 0 0 2,-0.2 3,-0.1 255,-0.1 -38,-0.1 0.368 108.3 71.0 69.6 -0.6 -17.5 -16.6 -8.0 48 75 A V S S+ 0 0 14 1,-0.2 2,-0.8 255,-0.1 -1,-0.1 0.815 86.9 53.2-110.2 -50.6 -14.5 -18.8 -7.5 49 76 A H S S- 0 0 81 259,-0.1 -4,-0.4 -39,-0.0 2,-0.3 -0.821 71.7-175.9-101.5 105.3 -12.7 -19.2 -10.9 50 77 A W - 0 0 25 -2,-0.8 -6,-0.2 -41,-0.3 259,-0.1 -0.749 12.1-176.4-106.3 145.4 -12.0 -15.8 -12.4 51 78 A T E -D 43 0B 16 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.2 -0.995 30.1-118.1-139.3 132.8 -10.4 -14.9 -15.7 52 79 A P E +D 42 0B 17 0, 0.0 -10,-0.3 0, 0.0 276,-0.3 -0.513 36.6 167.8 -69.7 132.6 -9.6 -11.4 -17.0 53 80 A V E - 0 0 9 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.660 54.3 -14.4-121.4 -27.2 -11.6 -10.5 -20.1 54 81 A T E -D 41 0B 10 -13,-1.4 -13,-2.6 274,-0.1 -1,-0.4 -0.950 52.4-121.2-160.3 179.3 -11.2 -6.8 -20.8 55 82 A H E -D 40 0B 10 -2,-0.3 -16,-0.2 -15,-0.3 73,-0.2 -0.997 13.0-148.7-132.6 130.4 -10.2 -3.4 -19.4 56 83 A S E S+ 0 0 0 -17,-2.8 -17,-0.2 -2,-0.4 40,-0.1 0.712 92.8 46.2 -71.8 -21.7 -12.6 -0.5 -19.3 57 84 A V E -D 38 0B 0 -19,-2.2 -19,-2.7 1,-0.1 -1,-0.2 -0.807 65.5-177.4-123.7 87.8 -10.0 2.2 -19.8 58 85 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.795 79.4 13.0 -63.4 -27.3 -7.7 1.2 -22.7 59 86 A R S S- 0 0 99 -22,-0.1 2,-0.3 -23,-0.1 -23,-0.1 -0.972 91.7-109.7-145.9 132.8 -5.5 4.2 -22.4 60 87 A L - 0 0 4 -2,-0.3 3,-0.2 6,-0.2 275,-0.1 -0.493 32.1-175.0 -68.6 122.0 -5.6 6.5 -19.4 61 88 A N + 0 0 50 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.116 48.7 107.9-110.2 35.6 -7.1 9.8 -20.5 62 89 A F S S- 0 0 14 1,-0.3 -1,-0.2 43,-0.0 2,-0.2 0.186 87.3 -57.9-107.9 15.5 -6.7 11.8 -17.3 63 90 A G > - 0 0 43 -3,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.464 61.2 -70.1 127.9 166.4 -3.9 14.2 -18.3 64 91 A S G > S+ 0 0 86 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.718 115.9 71.2 -71.1 -20.5 -0.3 14.4 -19.6 65 92 A N G > S+ 0 0 74 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.794 88.1 67.6 -57.2 -27.8 1.3 13.1 -16.3 66 93 A Y G < S+ 0 0 1 -3,-1.7 269,-2.8 1,-0.3 -1,-0.3 0.597 91.4 60.8 -72.4 -8.7 -0.2 9.7 -17.2 67 94 A D G < S- 0 0 49 -3,-1.8 -1,-0.3 267,-0.2 -2,-0.2 0.369 105.9-128.4 -95.3 4.2 2.2 9.6 -20.1 68 95 A L < + 0 0 3 -3,-1.8 3,-0.4 1,-0.1 -3,-0.1 0.930 45.3 166.7 45.9 56.1 5.2 9.8 -17.7 69 96 A P + 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.766 68.2 13.6 -69.1 -29.3 6.7 12.7 -19.8 70 97 A S S S- 0 0 101 1,-0.5 4,-0.1 -5,-0.1 -2,-0.1 -0.166 106.4 -91.4-153.7 46.3 9.4 13.8 -17.3 71 98 A G S > S+ 0 0 17 293,-0.4 3,-1.1 -3,-0.4 -1,-0.5 -0.119 70.6 19.8 83.9-173.0 10.1 11.4 -14.5 72 99 A T T 3 S+ 0 0 28 1,-0.3 360,-0.2 2,-0.1 359,-0.1 -0.375 106.3 36.6 -69.8 151.5 8.7 10.9 -11.0 73 100 A P T > S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.997 78.5 149.3 -80.9 -4.2 6.3 11.7 -9.5 74 101 A G T < S- 0 0 5 -3,-1.1 -8,-0.2 1,-0.3 -9,-0.1 -0.268 84.0 -51.8 52.3-125.0 4.5 11.1 -12.8 75 102 A A T > S+ 0 0 0 -10,-0.2 3,-2.5 -9,-0.1 -1,-0.3 -0.006 83.6 162.4-128.3 26.4 1.0 9.9 -11.8 76 103 A Y T < S+ 0 0 4 -3,-2.0 3,-0.1 1,-0.3 -43,-0.1 -0.220 73.5 0.8 -51.5 129.5 2.3 7.2 -9.4 77 104 A V T 3 S+ 0 0 11 1,-0.2 -1,-0.3 424,-0.1 -44,-0.1 0.567 117.6 91.3 63.7 14.9 -0.6 6.1 -7.1 78 105 A K < + 0 0 73 -3,-2.5 -1,-0.2 3,-0.0 -3,-0.1 0.152 57.8 68.4-102.0-134.7 -3.0 8.6 -8.7 79 106 A G S S+ 0 0 2 -45,-0.1 2,-0.6 -3,-0.1 22,-0.2 -0.254 97.0 19.2 61.2-139.8 -5.2 7.4 -11.6 80 107 A I B +E 33 0C 0 -47,-1.8 -47,-2.6 -45,-0.2 -48,-0.2 -0.570 66.9 164.7 -79.9 113.5 -8.0 4.9 -11.1 81 108 A W - 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