==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-12 4DZH . COMPND 2 MOLECULE: AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,S.R.WASSERMAN,L.L.MORISCO,S.SOJI . 439 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 8.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.2 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 0 3 3 3 0 2 1 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 9 A P 0 0 171 0, 0.0 49,-0.1 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 126.4 -11.8 1.1 -6.4 2 10 A P - 0 0 76 0, 0.0 47,-0.3 0, 0.0 46,-0.1 -0.135 360.0-118.9 -63.3 153.5 -10.8 3.4 -3.6 3 11 A E E -a 49 0A 83 45,-3.4 47,-3.1 44,-0.1 2,-0.1 -0.711 31.7-115.7 -89.4 133.7 -7.7 5.7 -3.7 4 12 A P E +a 50 0A 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.428 39.4 162.8 -73.6 145.8 -5.0 5.1 -1.1 5 13 A C E -a 51 0A 7 45,-1.0 47,-2.2 -2,-0.1 48,-0.2 -0.940 40.9-121.3-149.2 166.8 -4.1 7.6 1.6 6 14 A D E S+ 0 0 80 25,-1.0 47,-1.3 -2,-0.3 2,-0.4 0.933 88.1 7.6 -77.3 -46.4 -2.1 7.2 4.8 7 15 A L E -aB 53 31A 9 24,-2.4 24,-2.9 45,-0.2 2,-0.4 -0.996 52.7-165.9-142.6 137.0 -4.7 8.4 7.3 8 16 A L E -aB 54 30A 2 45,-1.8 47,-3.0 -2,-0.4 2,-0.6 -0.994 10.7-163.6-121.2 123.5 -8.3 9.4 7.3 9 17 A I E -aB 55 29A 0 20,-2.5 20,-2.0 -2,-0.4 2,-0.5 -0.931 6.3-164.2-106.8 115.4 -9.6 11.2 10.4 10 18 A E E +aB 56 28A 16 45,-3.7 47,-3.8 -2,-0.6 2,-0.3 -0.875 15.7 173.9 -99.4 134.8 -13.4 11.2 10.7 11 19 A A E -aB 57 27A 3 16,-2.2 16,-0.9 -2,-0.5 31,-0.2 -0.950 45.0-121.1-138.8 158.7 -15.0 13.7 13.1 12 20 A G E S+ 0 0 10 45,-1.9 14,-2.8 48,-0.5 2,-0.4 0.852 103.2 14.6 -60.4 -36.3 -18.3 15.1 14.2 13 21 A Y E -aB 61 25A 51 47,-2.0 49,-3.1 12,-0.3 2,-0.5 -0.999 63.4-158.7-143.8 133.8 -17.3 18.6 13.2 14 22 A V E -aB 62 24A 0 10,-2.6 10,-3.1 -2,-0.4 49,-0.2 -0.988 5.3-166.1-113.5 127.4 -14.4 19.9 11.1 15 23 A V + 0 0 3 47,-3.3 8,-0.1 -2,-0.5 349,-0.1 -0.877 7.5 179.7-112.1 97.4 -13.4 23.5 11.7 16 24 A P - 0 0 3 0, 0.0 348,-2.5 0, 0.0 2,-1.7 0.682 23.0-148.2 -77.1 -18.3 -11.2 24.6 8.8 17 25 A I S S+ 0 0 11 5,-0.4 4,-0.2 2,-0.4 346,-0.1 -0.316 76.0 90.0 75.8 -44.7 -10.6 28.2 9.9 18 26 A E S S+ 0 0 51 -2,-1.7 346,-0.2 1,-0.1 2,-0.1 -0.989 79.8 43.3-118.2 115.6 -10.4 29.0 6.1 19 27 A P S > S- 0 0 77 0, 0.0 3,-1.1 0, 0.0 -2,-0.4 0.472 111.7-116.9 -72.4 154.9 -13.2 29.7 5.2 20 28 A H T 3 S+ 0 0 76 1,-0.2 -2,-0.1 -2,-0.1 3,-0.1 -0.257 84.9 2.6 -67.6 141.2 -14.0 31.9 8.2 21 29 A A T 3 S+ 0 0 62 1,-0.2 2,-0.4 -4,-0.2 -1,-0.2 0.630 95.8 134.9 62.9 18.0 -16.8 31.1 10.6 22 30 A V < - 0 0 51 -3,-1.1 2,-0.5 -5,-0.1 -5,-0.4 -0.814 36.8-168.1-101.5 135.3 -17.6 27.9 8.9 23 31 A V - 0 0 52 -2,-0.4 2,-0.9 -8,-0.1 -8,-0.2 -0.973 11.0-151.1-121.7 120.6 -18.3 24.6 10.6 24 32 A L E > -B 14 0A 42 -10,-3.1 -10,-2.6 -2,-0.5 3,-0.5 -0.779 14.4-148.6 -93.4 109.6 -18.4 21.4 8.5 25 33 A E E 3 S+B 13 0A 131 -2,-0.9 -12,-0.3 1,-0.2 -13,-0.1 -0.526 73.2 1.9 -77.9 137.7 -20.6 18.8 10.1 26 34 A D E 3 S+ 0 0 98 -14,-2.8 16,-2.2 -2,-0.2 17,-0.4 0.941 95.1 145.2 56.1 57.1 -19.8 15.1 9.6 27 35 A H E < -BC 11 41A 32 -16,-0.9 -16,-2.2 -3,-0.5 2,-0.3 -0.798 35.3-147.9-124.9 162.9 -16.6 15.6 7.6 28 36 A A E -BC 10 40A 0 12,-3.0 12,-2.0 -2,-0.3 2,-0.5 -0.883 5.0-143.8-132.2 160.5 -13.2 13.8 7.3 29 37 A V E -BC 9 39A 0 -20,-2.0 -20,-2.5 -2,-0.3 2,-0.4 -0.991 12.4-153.4-129.9 121.6 -9.7 14.8 6.6 30 38 A A E -BC 8 38A 0 8,-2.3 7,-2.6 -2,-0.5 8,-1.1 -0.789 13.1-170.4 -97.6 145.2 -7.3 12.7 4.6 31 39 A V E +BC 7 36A 3 -24,-2.9 -24,-2.4 -2,-0.4 -25,-1.0 -0.986 11.0 174.6-137.8 134.8 -3.6 12.9 5.1 32 40 A S E > S- C 0 35A 19 3,-2.5 3,-2.2 -2,-0.4 338,-0.1 -0.986 74.3 -1.4-139.5 136.9 -0.6 11.4 3.2 33 41 A N T 3 S- 0 0 140 -2,-0.3 3,-0.1 1,-0.3 375,-0.1 0.842 129.6 -58.7 55.1 36.9 3.1 12.0 3.9 34 42 A G T 3 S+ 0 0 7 1,-0.2 336,-2.6 374,-0.1 2,-0.4 0.522 115.8 113.7 77.2 -1.5 2.1 14.4 6.7 35 43 A V E < S-CD 32 369A 40 -3,-2.2 -3,-2.5 334,-0.2 2,-0.5 -0.860 73.4-115.5-111.7 143.2 0.2 16.6 4.3 36 44 A I E +C 31 0A 1 332,-3.1 331,-3.1 -2,-0.4 -5,-0.3 -0.658 35.4 172.3 -71.8 122.5 -3.6 17.3 4.1 37 45 A V E + 0 0 47 -7,-2.6 2,-0.3 -2,-0.5 -6,-0.2 0.480 60.4 8.3-111.4 -5.8 -4.8 15.8 0.8 38 46 A A E -C 30 0A 4 -8,-1.1 -8,-2.3 327,-0.1 2,-0.3 -0.918 44.0-167.9-173.1 145.3 -8.6 16.2 1.2 39 47 A V E +C 29 0A 41 -2,-0.3 -10,-0.2 -10,-0.2 327,-0.1 -0.957 42.0 127.1-137.5 116.8 -11.3 17.8 3.4 40 48 A L E -C 28 0A 24 -12,-2.0 -12,-3.0 -2,-0.3 5,-0.1 -0.971 62.8 -56.6-165.3 164.4 -14.8 16.5 2.5 41 49 A P E > -C 27 0A 47 0, 0.0 4,-2.1 0, 0.0 -14,-0.3 -0.291 50.8-123.6 -54.9 141.5 -18.0 14.9 3.8 42 50 A T H > S+ 0 0 2 -16,-2.2 4,-2.1 1,-0.2 5,-0.1 0.843 111.8 52.5 -60.3 -35.4 -17.3 11.6 5.6 43 51 A A H > S+ 0 0 65 -17,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.935 111.4 47.2 -64.1 -44.3 -19.7 9.7 3.3 44 52 A D H > S+ 0 0 89 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.825 112.3 51.5 -63.4 -34.5 -17.9 11.2 0.2 45 53 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.841 102.7 56.8 -73.6 -34.6 -14.5 10.3 1.8 46 54 A R H < S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 110.2 45.6 -70.1 -22.5 -15.3 6.7 2.5 47 55 A V H < S+ 0 0 113 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.832 117.0 45.2 -85.8 -33.4 -16.1 6.1 -1.2 48 56 A R H < S+ 0 0 101 -4,-1.3 -45,-3.4 -5,-0.1 2,-0.3 0.859 108.1 54.5 -79.0 -38.5 -13.0 7.9 -2.3 49 57 A F E < -a 3 0A 7 -4,-2.5 -41,-0.0 -47,-0.3 -1,-0.0 -0.757 45.8-164.0-113.6 149.7 -10.3 6.6 -0.1 50 58 A A E -a 4 0A 44 -47,-3.1 -45,-1.0 -2,-0.3 2,-0.1 -0.788 33.9-162.2-115.7 80.9 -8.7 3.4 1.1 51 59 A P E -a 5 0A 31 0, 0.0 -45,-0.2 0, 0.0 -44,-0.1 -0.429 23.7-138.0 -67.2 141.2 -6.9 4.8 4.1 52 60 A A E S+ 0 0 93 -47,-2.2 2,-0.3 1,-0.2 -45,-0.2 0.857 96.0 9.2 -63.4 -33.4 -4.0 2.7 5.6 53 61 A R E S-a 7 0A 112 -47,-1.3 -45,-1.8 -48,-0.2 2,-0.4 -0.995 72.4-155.3-144.2 143.7 -5.5 3.7 9.0 54 62 A T E -a 8 0A 68 -2,-0.3 2,-0.5 -47,-0.2 -45,-0.2 -0.976 0.7-162.0-122.3 137.7 -8.8 5.5 9.9 55 63 A V E -a 9 0A 12 -47,-3.0 -45,-3.7 -2,-0.4 2,-0.6 -0.983 10.3-164.9-116.3 120.1 -9.5 7.5 13.1 56 64 A S E +a 10 0A 59 -2,-0.5 -45,-0.2 -47,-0.2 3,-0.1 -0.926 20.3 163.5-114.2 124.8 -13.1 8.0 13.9 57 65 A R E > +a 11 0A 52 -47,-3.8 -45,-1.9 -2,-0.6 3,-1.6 -0.711 3.9 170.6-134.2 74.3 -14.2 10.6 16.5 58 66 A P E 3 S+ 0 0 90 0, 0.0 -32,-0.1 0, 0.0 -47,-0.1 0.685 78.6 47.7 -67.5 -14.0 -17.8 11.2 15.8 59 67 A D E 3 S+ 0 0 95 -47,-0.1 318,-1.9 -3,-0.1 319,-0.2 0.375 100.5 89.1-101.0 1.6 -18.3 13.3 19.0 60 68 A A E < - E 0 376A 3 -3,-1.6 -47,-2.0 316,-0.2 -48,-0.5 -0.662 68.8-131.5-108.5 155.4 -15.3 15.6 18.4 61 69 A A E -aE 13 375A 0 314,-2.5 314,-2.8 -2,-0.2 2,-0.5 -0.845 22.2-150.3 -91.9 136.4 -14.5 18.8 16.6 62 70 A L E +aE 14 374A 0 -49,-3.1 -47,-3.3 -2,-0.4 312,-0.2 -0.954 29.7 155.4-107.7 125.2 -11.4 18.6 14.5 63 71 A M E - E 0 373A 1 310,-2.5 310,-3.0 -2,-0.5 3,-0.1 -0.896 47.3 -80.0-139.1 167.2 -9.4 21.9 14.1 64 72 A P E - E 0 372A 3 0, 0.0 308,-0.3 0, 0.0 3,-0.1 -0.406 61.4 -88.7 -64.8 152.1 -5.8 23.0 13.4 65 73 A G - 0 0 3 306,-1.6 59,-0.2 340,-0.2 2,-0.2 -0.238 48.4-104.2 -56.2 144.9 -3.4 22.8 16.3 66 74 A L E -i 124 0B 0 57,-2.5 59,-2.4 -3,-0.1 60,-1.2 -0.513 28.2-139.8 -70.5 144.3 -3.3 25.9 18.4 67 75 A V E -i 126 0B 1 280,-3.2 2,-1.1 -2,-0.2 237,-0.5 -0.929 5.4-155.6-113.0 108.6 -0.3 28.1 17.8 68 76 A N E -i 127 0B 0 58,-2.6 60,-1.6 -2,-0.6 237,-0.3 -0.785 11.0-167.6 -87.3 102.2 1.2 29.6 21.0 69 77 A A E + 0 0 0 235,-2.8 236,-0.3 -2,-1.1 2,-0.2 0.274 67.1 38.5 -87.7 12.6 2.8 32.6 19.6 70 78 A H E + 0 0 0 234,-0.2 237,-2.5 237,-0.1 236,-0.5 -0.650 69.1 155.1-159.7 104.4 4.9 33.6 22.7 71 79 A T E -i 129 0B 0 57,-2.4 59,-1.7 -2,-0.2 237,-0.2 -0.922 34.7-172.8-128.2 155.2 6.7 31.2 25.0 72 80 A H > + 0 0 24 -2,-0.3 3,-1.9 235,-0.3 237,-0.4 -0.680 31.2 178.3-129.3 73.5 9.6 31.0 27.5 73 81 A N G > + 0 0 1 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.754 64.9 65.3 -67.1 -29.0 9.1 27.3 27.9 74 82 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.759 87.2 77.9 -59.4 -20.6 11.9 26.3 30.3 75 83 A M G X + 0 0 14 -3,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.529 65.1 88.1 -69.8 -0.7 10.1 28.4 32.8 76 84 A T G X S+ 0 0 4 -3,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.892 84.0 60.0 -57.0 -34.4 7.6 25.6 33.2 77 85 A L G < S+ 0 0 18 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.659 101.6 52.4 -67.1 -11.6 10.2 24.5 35.9 78 86 A L G X S+ 0 0 2 -3,-1.6 3,-2.4 -4,-0.1 4,-0.3 0.080 78.2 158.4-108.0 22.7 9.5 27.9 37.6 79 87 A R T < S- 0 0 103 -3,-1.6 231,-0.2 1,-0.3 -3,-0.1 -0.294 77.3 -12.8 -55.2 116.7 5.7 27.4 37.8 80 88 A G T 3 S+ 0 0 32 229,-1.3 3,-0.5 -2,-0.1 -1,-0.3 0.729 90.6 141.5 65.6 25.4 4.3 29.6 40.6 81 89 A V S < S+ 0 0 52 -3,-2.4 -2,-0.1 1,-0.2 -1,-0.1 0.804 78.7 12.1 -72.0 -24.2 7.8 30.3 41.9 82 90 A A S S+ 0 0 5 -4,-0.3 3,-0.4 228,-0.2 -1,-0.2 -0.388 81.5 169.2-154.7 71.7 7.0 33.9 42.7 83 91 A D + 0 0 51 -3,-0.5 228,-0.1 1,-0.2 227,-0.0 -0.346 56.2 20.9 -87.9 158.2 3.4 35.0 42.6 84 92 A D S S+ 0 0 157 1,-0.2 -1,-0.2 200,-0.1 201,-0.0 0.773 88.3 121.3 66.5 34.4 1.6 38.1 43.7 85 93 A L - 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