==== 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 3ZXK . 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, . 1059 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 62.2 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 . 406 38.3 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 . 1 0.1 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 . 93 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 1 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 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 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 29 A A 0 0 130 0, 0.0 303,-0.1 0, 0.0 963,-0.0 0.000 360.0 360.0 360.0 112.7 6.2 -26.7 37.6 2 30 A S + 0 0 91 297,-0.1 298,-2.3 301,-0.1 2,-0.3 0.499 360.0 34.5 -86.9 -11.6 3.5 -24.4 38.9 3 31 A T E -A 299 0A 76 296,-0.3 2,-0.3 298,-0.0 294,-0.0 -0.857 65.5-149.8-132.4 170.3 5.4 -21.1 38.9 4 32 A F E -A 298 0A 11 294,-2.2 294,-1.7 -2,-0.3 2,-0.4 -0.959 11.5-130.9-138.2 161.0 8.1 -19.4 36.8 5 33 A T E -A 297 0A 100 -2,-0.3 292,-0.2 292,-0.2 291,-0.1 -0.869 36.0 -87.0-111.4 144.5 10.9 -16.9 37.3 6 34 A N S S+ 0 0 15 290,-2.6 2,-0.1 -2,-0.4 266,-0.1 -0.703 100.2 51.9 -88.3 146.4 11.7 -13.7 35.4 7 35 A P - 0 0 18 0, 0.0 265,-0.2 0, 0.0 3,-0.2 0.567 67.8-163.4 -74.7 156.2 13.3 -13.2 33.0 8 36 A V S S+ 0 0 20 263,-1.6 2,-0.4 1,-0.3 41,-0.3 0.812 80.4 16.9 -78.5 -25.5 11.6 -15.8 30.9 9 37 A L - 0 0 24 262,-0.8 2,-1.2 39,-0.1 -1,-0.3 -0.952 67.1-153.9-147.0 118.9 14.3 -15.9 28.2 10 38 A W + 0 0 52 -2,-0.4 364,-2.0 -3,-0.2 2,-0.3 -0.400 63.3 99.9 -95.1 58.6 17.7 -14.4 28.8 11 39 A E S S- 0 0 13 -2,-1.2 2,-0.7 362,-0.2 362,-0.1 -0.993 85.8 -93.5-142.4 145.3 18.5 -13.6 25.2 12 40 A D + 0 0 6 255,-0.4 258,-0.2 360,-0.3 -2,-0.1 -0.434 58.5 146.6 -66.4 105.2 18.3 -10.3 23.3 13 41 A H - 0 0 5 256,-2.4 3,-0.4 -2,-0.7 -1,-0.1 -0.631 28.1-176.8-140.0 70.1 14.8 -10.2 21.7 14 42 A P + 0 0 1 0, 0.0 16,-1.9 0, 0.0 256,-0.0 -0.156 53.3 25.6 -76.7 167.2 13.8 -6.5 21.7 15 43 A A S S- 0 0 6 14,-0.2 67,-0.5 1,-0.1 13,-0.1 0.824 85.5-163.3 55.8 41.5 10.7 -4.7 20.6 16 44 A L - 0 0 0 -3,-0.4 2,-0.4 65,-0.1 13,-0.2 -0.142 21.9-165.6 -65.3 145.2 8.5 -7.8 21.1 17 45 A E E -B 28 0B 0 11,-1.6 11,-2.4 230,-0.1 2,-0.4 -0.989 15.1-170.3-118.1 132.5 5.0 -8.4 19.8 18 46 A V E +B 27 0B 1 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.975 13.4 154.9-126.0 142.6 3.2 -11.3 21.4 19 47 A F E -B 26 0B 16 7,-1.9 7,-2.7 -2,-0.4 2,-0.4 -0.963 30.7-122.4-154.6 167.6 -0.1 -13.0 20.4 20 48 A R E -B 25 0B 55 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.940 13.5-174.1-118.9 138.0 -1.9 -16.3 20.8 21 49 A V E > -B 24 0B 2 3,-3.0 3,-2.4 -2,-0.4 2,-0.2 -0.955 69.0 -59.3-121.9 110.8 -3.2 -18.7 18.2 22 50 A G T 3 S- 0 0 30 -2,-0.4 96,-0.2 1,-0.3 95,-0.1 -0.385 122.8 -9.6 59.0-121.7 -5.1 -21.5 20.0 23 51 A S T 3 S+ 0 0 56 94,-1.9 2,-0.4 -2,-0.2 -1,-0.3 0.408 122.5 83.6 -86.4 -0.1 -2.7 -23.3 22.3 24 52 A V E < -B 21 0B 0 -3,-2.4 -3,-3.0 93,-0.3 2,-0.4 -0.879 59.7-154.3-118.1 134.6 0.4 -21.5 21.0 25 53 A F E -BC 20 43B 0 18,-3.1 18,-2.1 -2,-0.4 2,-0.3 -0.865 13.1-159.6-101.0 141.1 2.0 -18.1 21.8 26 54 A Y E -BC 19 42B 1 -7,-2.7 -7,-1.9 -2,-0.4 2,-0.4 -0.916 4.1-165.7-121.4 146.6 4.1 -16.4 19.2 27 55 A Y E -BC 18 41B 0 14,-2.0 14,-2.9 -2,-0.3 2,-0.4 -1.000 2.1-163.5-138.1 126.0 6.7 -13.6 19.8 28 56 A S E -BC 17 40B 4 -11,-2.4 -11,-1.6 -2,-0.4 2,-0.2 -0.950 13.2-175.1-115.0 136.0 8.2 -11.4 17.1 29 57 A S - 0 0 2 10,-1.8 2,-0.3 -2,-0.4 -14,-0.2 -0.754 23.7-103.7-129.5 171.8 11.4 -9.3 17.7 30 58 A S + 0 0 4 -16,-1.9 50,-0.1 -2,-0.2 51,-0.1 -0.753 24.8 176.0-105.2 144.8 13.7 -6.7 16.1 31 59 A T > - 0 0 0 -2,-0.3 3,-2.5 1,-0.2 49,-0.1 0.313 18.5-155.2-133.3 5.6 17.1 -7.4 14.5 32 60 A F B 3 S-E 79 0C 7 47,-2.6 47,-2.0 1,-0.3 -1,-0.2 -0.284 79.6 -12.7 58.0-124.5 18.5 -4.2 12.9 33 61 A A T 3 S+ 0 0 3 45,-0.2 300,-1.6 2,-0.1 -1,-0.3 0.280 103.6 119.6 -97.2 12.1 20.9 -5.3 10.1 34 62 A Y E < -F 332 0D 2 -3,-2.5 298,-0.2 298,-0.2 45,-0.2 -0.511 64.2-114.9 -77.9 141.9 21.2 -8.9 11.2 35 63 A S E S+F 331 0D 1 296,-2.6 296,-3.3 298,-0.4 2,-0.2 -0.980 95.7 37.2-136.9 123.8 20.0 -11.3 8.4 36 64 A P S S- 0 0 28 0, 0.0 2,-0.2 0, 0.0 22,-0.1 0.419 95.9-156.7 -66.6 159.6 17.7 -13.2 8.4 37 65 A G E + D 0 56B 0 19,-2.7 19,-2.3 -2,-0.2 18,-0.1 -0.645 50.9 32.9-111.3 166.4 15.6 -10.7 10.3 38 66 A A E S- 0 0 0 -2,-0.2 17,-2.9 16,-0.2 -1,-0.2 0.960 71.9-149.5 59.8 65.0 12.5 -10.6 12.5 39 67 A P E - D 0 54B 2 0, 0.0 -10,-1.8 0, 0.0 2,-0.4 -0.235 2.2-146.5 -61.1 151.5 12.7 -13.9 14.4 40 68 A V E -CD 28 53B 0 13,-2.8 12,-3.1 -12,-0.2 13,-1.4 -0.997 13.2-164.9-118.0 126.8 9.5 -15.6 15.6 41 69 A L E -CD 27 51B 1 -14,-2.9 -14,-2.0 -2,-0.4 2,-0.4 -0.803 5.8-148.4-107.4 154.6 9.6 -17.6 18.9 42 70 A K E +CD 26 50B 12 8,-2.9 8,-2.2 -2,-0.3 2,-0.3 -0.942 18.5 168.0-125.3 143.7 7.0 -20.1 20.0 43 71 A S E -C 25 0B 2 -18,-2.1 -18,-3.1 -2,-0.4 6,-0.1 -0.987 30.9-156.6-147.6 155.3 5.8 -21.0 23.5 44 72 A Y S S+ 0 0 20 4,-0.5 262,-0.1 -2,-0.3 5,-0.1 0.506 101.7 24.2-102.9 -8.5 3.0 -23.0 25.1 45 73 A D S S- 0 0 9 3,-0.3 257,-0.3 -20,-0.1 4,-0.1 0.355 101.4-110.8-140.1 8.0 3.2 -21.1 28.4 46 74 A L S S+ 0 0 0 2,-0.2 3,-0.1 255,-0.1 -38,-0.1 0.375 107.8 71.8 67.3 3.6 4.8 -17.7 27.8 47 75 A V S S+ 0 0 8 1,-0.3 2,-0.7 -41,-0.0 -1,-0.1 0.807 85.7 50.7-116.6 -47.7 7.8 -18.9 29.7 48 76 A H S S- 0 0 123 -39,-0.0 -4,-0.5 2,-0.0 2,-0.3 -0.886 72.4-172.6-104.1 112.1 9.7 -21.5 27.7 49 77 A W - 0 0 22 -2,-0.7 -6,-0.2 -41,-0.3 -23,-0.1 -0.832 13.1-173.5-111.6 144.0 10.4 -20.1 24.2 50 78 A T E -D 42 0B 24 -8,-2.2 -8,-2.9 -2,-0.3 2,-0.2 -0.997 29.6-118.9-133.9 132.3 12.0 -21.7 21.1 51 79 A P E +D 41 0B 20 0, 0.0 -10,-0.3 0, 0.0 276,-0.3 -0.550 36.3 168.9 -73.3 134.6 12.8 -19.9 17.9 52 80 A V E - 0 0 13 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.670 54.2 -17.8-120.4 -23.7 10.8 -21.3 15.0 53 81 A T E -D 40 0B 7 -13,-1.4 -13,-2.8 274,-0.1 -1,-0.4 -0.954 52.1-120.5-166.0 174.4 11.2 -19.0 11.9 54 82 A H E -D 39 0B 10 -15,-0.3 -16,-0.2 -2,-0.3 73,-0.2 -0.999 13.8-145.9-129.8 137.8 12.3 -15.5 10.8 55 83 A S E S+ 0 0 0 -17,-2.9 -17,-0.2 -2,-0.4 40,-0.1 0.714 93.9 46.3 -74.8 -21.5 9.8 -13.2 8.9 56 84 A V E -D 37 0B 0 -19,-2.3 -19,-2.7 1,-0.1 -1,-0.2 -0.792 65.2-177.8-122.8 87.1 12.5 -11.6 6.7 57 85 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.783 80.0 11.0 -62.0 -28.1 14.7 -14.4 5.3 58 86 A R S S- 0 0 95 -22,-0.1 2,-0.2 -23,-0.1 -23,-0.1 -0.953 91.8-109.2-145.8 135.8 16.9 -11.9 3.5 59 87 A L - 0 0 6 -2,-0.3 3,-0.2 6,-0.2 275,-0.1 -0.468 32.2-178.5 -70.7 127.0 16.8 -8.2 4.1 60 88 A N + 0 0 52 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.089 48.1 108.2-115.1 34.5 15.3 -6.5 1.0 61 89 A F S S- 0 0 14 1,-0.3 2,-0.2 43,-0.0 -1,-0.1 0.380 87.6 -48.1 -99.6 2.9 15.5 -2.9 2.2 62 90 A G > - 0 0 40 -3,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.688 60.9 -77.7 142.1 163.3 18.3 -1.6 -0.1 63 91 A S G > S+ 0 0 90 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.758 115.8 68.6 -67.6 -22.6 21.8 -2.3 -1.4 64 92 A N G > S+ 0 0 69 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.736 84.8 72.3 -70.3 -17.9 23.6 -1.2 1.8 65 93 A Y G < S+ 0 0 1 -3,-1.6 269,-2.9 1,-0.3 -1,-0.3 0.593 89.5 60.8 -70.2 -8.8 22.1 -4.3 3.5 66 94 A D G < S- 0 0 51 -3,-1.7 -1,-0.3 267,-0.2 -2,-0.2 0.293 108.8-127.0 -94.8 7.0 24.6 -6.4 1.5 67 95 A L < + 0 0 3 -3,-1.7 3,-0.3 1,-0.1 -3,-0.1 0.946 43.9 170.0 48.2 62.0 27.5 -4.5 3.2 68 96 A P + 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.744 67.6 17.0 -77.2 -22.2 29.1 -3.6 -0.2 69 97 A S S S- 0 0 100 1,-0.5 4,-0.1 -5,-0.1 -2,-0.1 -0.007 104.1-101.3-149.7 32.4 31.7 -1.1 0.9 70 98 A G S > S+ 0 0 11 293,-0.4 3,-1.4 -3,-0.3 -1,-0.5 -0.241 71.2 36.3 79.1-168.2 32.5 -1.3 4.6 71 99 A T T 3 S+ 0 0 32 1,-0.3 360,-0.2 -4,-0.1 359,-0.1 -0.283 108.0 25.6 -63.2 147.2 31.3 0.9 7.5 72 100 A P T > S+ 0 0 42 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.991 79.8 152.6 -86.2 6.6 28.8 2.4 8.1 73 101 A G T < S- 0 0 8 -3,-1.4 -8,-0.1 1,-0.3 -9,-0.1 -0.215 82.7 -49.7 46.2-127.2 27.0 -0.2 6.0 74 102 A A T > S+ 0 0 0 -10,-0.2 3,-2.3 -9,-0.1 -1,-0.3 -0.084 85.5 162.0-122.7 28.0 23.5 -0.4 7.4 75 103 A Y T < S+ 0 0 5 -3,-2.2 3,-0.1 1,-0.3 -43,-0.1 -0.277 71.3 2.3 -49.3 128.3 24.6 -0.8 11.0 76 104 A V T 3 S+ 0 0 12 1,-0.2 -1,-0.3 424,-0.1 -44,-0.1 0.589 116.9 91.7 66.9 12.9 21.9 -0.0 13.5 77 105 A K < + 0 0 91 -3,-2.3 -1,-0.2 3,-0.0 -3,-0.1 0.176 57.1 67.5 -98.6-134.5 19.4 0.6 10.7 78 106 A G S S+ 0 0 3 -45,-0.1 2,-0.7 -3,-0.1 22,-0.3 -0.207 96.9 18.8 59.2-138.9 17.2 -2.2 9.3 79 107 A I B +E 32 0C 0 -47,-2.0 -47,-2.6 -45,-0.2 -48,-0.1 -0.591 65.6 163.2 -83.1 108.6 14.5 -3.7 11.5 80 108 A W - 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