==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-08 3C9F . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR Y.PATSKOVSKY,R.ROMERO,M.GILMORE,M.EBERLE,K.BAIN,D.SMITH, . 1071 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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-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 . 65 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 10 0 3 4 2 1 4 0 3 0 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 0 2 6 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 PARALLEL BRIDGES PER LADDER . 7 0 6 4 2 4 4 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 . 4 1 1 2 2 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 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 16 A S 0 0 132 0, 0.0 289,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.8 53.1 -27.6 14.7 2 17 A F - 0 0 66 440,-0.0 2,-0.3 1,-0.0 440,-0.0 -0.728 360.0 -93.2-120.7 160.8 53.1 -27.8 10.8 3 18 A P - 0 0 81 0, 0.0 457,-1.1 0, 0.0 2,-0.3 -0.633 47.7-155.3 -74.5 139.5 55.0 -29.5 8.0 4 19 A H B -A 459 0A 21 -2,-0.3 2,-0.3 455,-0.2 455,-0.2 -0.867 15.4-124.2-119.0 148.1 57.9 -27.3 6.8 5 20 A R - 0 0 81 453,-2.1 2,-0.2 -2,-0.3 451,-0.0 -0.633 39.7-111.2 -80.9 147.0 59.8 -26.9 3.6 6 21 A N - 0 0 116 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.559 22.3-121.3 -82.7 143.3 63.6 -27.3 4.0 7 22 A L - 0 0 16 -2,-0.2 2,-0.7 287,-0.1 -1,-0.1 -0.576 19.0-135.4 -73.8 142.4 66.0 -24.4 3.6 8 23 A T - 0 0 71 -2,-0.2 2,-0.2 255,-0.0 272,-0.1 -0.925 23.7-161.4 -95.7 114.4 68.7 -24.8 1.0 9 24 A W + 0 0 39 -2,-0.7 2,-0.2 4,-0.1 254,-0.1 -0.500 17.4 161.0 -86.2 165.1 72.0 -23.7 2.5 10 25 A N - 0 0 27 47,-0.2 255,-0.2 -2,-0.2 47,-0.1 -0.896 53.8 -51.0-165.2-169.3 75.1 -22.8 0.4 11 26 A D S S+ 0 0 16 -2,-0.2 46,-2.4 1,-0.2 2,-0.4 0.878 125.8 18.0 -45.6 -57.2 78.5 -21.0 0.3 12 27 A I E S-bC 57 264B 0 252,-1.8 252,-2.6 44,-0.2 2,-0.3 -0.979 77.5-161.1-120.2 129.3 77.1 -17.7 1.6 13 28 A N E -bC 58 263B 0 44,-3.3 46,-2.3 -2,-0.4 2,-0.4 -0.851 2.9-154.5-110.8 147.9 73.7 -17.6 3.4 14 29 A F E -bC 59 262B 0 248,-3.1 248,-1.8 -2,-0.3 2,-0.5 -0.988 9.7-166.9-129.2 129.3 71.5 -14.5 4.0 15 30 A V E -bC 60 261B 3 44,-2.4 46,-2.5 -2,-0.4 2,-0.4 -0.970 24.4-167.1-109.7 126.3 69.0 -13.8 6.7 16 31 A H E +bC 61 260B 0 244,-2.7 244,-3.0 -2,-0.5 2,-0.3 -0.956 17.4 178.2-128.7 131.4 66.9 -10.7 5.7 17 32 A T E +b 62 0B 3 44,-2.7 46,-2.1 -2,-0.4 2,-0.3 -0.934 10.2 161.6-123.4 154.2 64.5 -8.4 7.5 18 33 A T + 0 0 4 234,-0.4 238,-0.4 -2,-0.3 240,-0.2 -0.966 58.1 19.8-162.3 154.4 62.6 -5.3 6.2 19 34 A D + 0 0 0 45,-1.7 236,-3.1 -2,-0.3 46,-0.2 0.840 63.3 155.6 50.9 43.3 59.6 -3.2 7.0 20 35 A T > - 0 0 2 44,-0.6 3,-1.9 45,-0.2 46,-0.2 0.831 27.4-165.6 -68.3 -33.3 59.6 -4.4 10.6 21 36 A H T 3 - 0 0 0 44,-2.5 45,-0.2 1,-0.3 46,-0.2 0.797 67.0 -57.2 48.2 39.1 57.8 -1.2 11.7 22 37 A G T 3 S+ 0 0 0 43,-0.1 2,-1.2 45,-0.1 3,-0.4 0.556 93.7 140.4 76.6 12.3 58.5 -1.8 15.4 23 38 A W X + 0 0 10 -3,-1.9 3,-1.2 1,-0.2 -1,-0.1 -0.106 20.3 129.5 -78.9 41.7 56.8 -5.2 15.6 24 39 A Y T 3 + 0 0 1 -2,-1.2 13,-2.3 1,-0.3 14,-0.3 0.566 61.5 64.1 -78.9 -9.4 59.6 -6.6 17.9 25 40 A S T 3 S- 0 0 17 -3,-0.4 -1,-0.3 1,-0.3 11,-0.1 0.489 106.7-120.0 -84.8 -8.5 57.1 -8.0 20.5 26 41 A G < - 0 0 7 -3,-1.2 2,-0.4 229,-0.1 -1,-0.3 -0.160 36.0 -64.5 80.8 173.8 55.5 -10.5 18.1 27 42 A H - 0 0 3 6,-2.0 6,-0.2 3,-0.3 -4,-0.0 -0.850 34.0-174.4-104.0 130.8 51.9 -10.7 17.0 28 43 A I S S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 0.862 87.7 43.7 -87.9 -41.5 49.0 -11.4 19.5 29 44 A N S S+ 0 0 84 1,-0.2 -1,-0.1 4,-0.1 5,-0.0 0.578 116.9 45.9 -85.8 -8.7 46.1 -11.7 16.9 30 45 A Q > - 0 0 32 1,-0.1 3,-2.4 3,-0.1 -3,-0.3 -0.767 68.0-174.8-128.2 87.0 48.1 -13.7 14.3 31 46 A P G > S+ 0 0 94 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.604 77.3 75.9 -64.7 -12.6 49.8 -16.5 16.3 32 47 A L G 3 S+ 0 0 16 1,-0.3 3,-0.1 412,-0.1 257,-0.0 0.606 105.5 38.7 -64.1 -14.2 51.6 -17.7 13.2 33 48 A Y G < S+ 0 0 4 -3,-2.4 -6,-2.0 -6,-0.2 -1,-0.3 -0.113 81.2 124.5-125.1 33.5 53.8 -14.6 13.8 34 49 A H < + 0 0 80 -3,-1.3 253,-0.2 -8,-0.2 -2,-0.1 0.687 40.2 107.3 -72.7 -23.6 53.9 -14.9 17.7 35 50 A A - 0 0 0 251,-1.4 -8,-0.2 -4,-0.1 2,-0.1 -0.221 56.9-145.3 -65.9 146.8 57.7 -14.9 18.1 36 51 A N > - 0 0 32 -11,-0.1 4,-1.6 -10,-0.1 -11,-0.2 -0.415 32.8 -91.6-102.9-177.8 59.5 -11.9 19.4 37 52 A W H > S+ 0 0 0 -13,-2.3 4,-1.7 1,-0.2 -12,-0.1 0.782 123.5 59.0 -67.9 -29.6 62.9 -10.4 18.7 38 53 A G H > S+ 0 0 0 -14,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.936 105.4 48.3 -61.6 -49.8 64.5 -12.5 21.5 39 54 A D H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.837 110.9 51.4 -57.1 -37.7 63.4 -15.7 19.7 40 55 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.815 108.8 51.1 -71.1 -31.7 64.8 -14.3 16.4 41 56 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.942 111.5 46.4 -70.4 -48.1 68.1 -13.6 18.2 42 57 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.958 112.6 54.4 -49.8 -52.2 68.2 -17.2 19.5 43 58 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.906 111.6 40.2 -48.6 -54.2 67.3 -18.2 15.9 44 59 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.764 108.0 62.2 -76.7 -25.3 70.2 -16.4 14.2 45 60 A T H X S+ 0 0 43 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.959 112.0 38.8 -56.3 -52.2 72.7 -17.4 17.0 46 61 A H H X S+ 0 0 8 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.911 114.0 54.0 -64.8 -44.3 72.1 -21.0 16.1 47 62 A M H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.755 111.5 45.4 -65.2 -28.0 71.9 -20.4 12.3 48 63 A R H X S+ 0 0 41 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.872 114.2 48.5 -76.2 -45.0 75.3 -18.6 12.3 49 64 A R H X S+ 0 0 124 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.906 113.2 48.2 -62.7 -42.5 76.8 -21.4 14.5 50 65 A I H X S+ 0 0 35 -4,-3.4 4,-0.9 2,-0.2 -1,-0.2 0.911 112.1 48.9 -60.6 -44.8 75.3 -24.0 12.2 51 66 A A H <>S+ 0 0 0 -4,-1.4 5,-2.4 -5,-0.2 3,-0.3 0.883 111.0 49.9 -66.1 -38.6 76.7 -22.2 9.1 52 67 A H H ><5S+ 0 0 72 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.930 106.3 54.6 -67.5 -45.0 80.1 -21.8 10.6 53 68 A S H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.707 108.5 51.4 -60.1 -21.2 80.3 -25.5 11.5 54 69 A R T 3<5S- 0 0 130 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.178 120.0-110.9 -97.5 16.2 79.5 -26.2 7.8 55 70 A N T < 5S+ 0 0 100 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.902 78.0 127.8 51.3 46.8 82.4 -23.9 6.6 56 71 A Q < - 0 0 22 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.2 -0.949 57.0-121.8-129.8 150.5 79.8 -21.4 5.2 57 72 A D E -b 12 0B 0 -46,-2.4 -44,-3.3 -2,-0.3 2,-0.4 -0.677 21.0-168.5 -89.0 146.5 79.2 -17.7 5.7 58 73 A L E -b 13 0B 7 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.2 -0.994 2.3-172.2-136.0 131.6 76.0 -16.1 7.0 59 74 A L E -b 14 0B 8 -46,-2.3 -44,-2.4 -2,-0.4 2,-0.4 -0.967 15.1-143.7-124.2 136.2 75.1 -12.4 6.9 60 75 A L E -b 15 0B 0 -2,-0.4 33,-2.7 31,-0.3 34,-1.8 -0.860 23.1-174.6 -99.0 134.3 72.1 -10.6 8.5 61 76 A I E -bd 16 94B 0 -46,-2.5 -44,-2.7 -2,-0.4 2,-0.4 -0.987 12.4-168.1-133.4 133.8 70.7 -7.8 6.5 62 77 A D E -bd 17 95B 0 32,-1.9 34,-1.3 -2,-0.4 -44,-0.2 -0.995 8.7-162.0-123.9 134.8 67.9 -5.2 7.3 63 78 A S - 0 0 0 -46,-2.1 -45,-0.1 -2,-0.4 32,-0.1 0.141 45.1-113.2-103.5 17.1 66.3 -2.9 4.6 64 79 A G S S+ 0 0 0 -47,-0.2 -45,-1.7 34,-0.1 -44,-0.6 -0.297 71.3 116.5 97.3-169.8 64.8 -0.2 6.9 65 80 A D + 0 0 2 -46,-0.2 -44,-2.5 -47,-0.1 -45,-0.2 1.000 33.8 167.2 55.1 81.2 61.4 1.2 8.1 66 81 A R + 0 0 9 -46,-0.2 2,-0.3 -45,-0.2 -44,-0.1 0.248 53.9 33.5-111.6 10.0 61.6 0.4 11.8 67 82 A H + 0 0 10 -46,-0.2 -46,-0.2 1,-0.2 -45,-0.1 -0.892 69.8 79.6-151.0-177.3 58.8 2.4 13.2 68 83 A D S S+ 0 0 16 2,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.971 89.4 58.2 73.2 75.3 55.3 3.7 12.4 69 84 A G S S+ 0 0 0 1,-0.4 2,-0.3 325,-0.1 -47,-0.1 0.381 92.9 59.1 157.1 9.3 53.0 0.8 13.0 70 85 A N >> - 0 0 2 1,-0.1 4,-2.5 324,-0.1 3,-0.7 -0.976 68.6-129.0-159.2 142.5 53.4 -0.3 16.6 71 86 A G H 3> S+ 0 0 0 316,-0.4 4,-2.1 -2,-0.3 5,-0.3 0.834 105.1 66.4 -57.4 -35.6 53.1 1.0 20.1 72 87 A L H 34 S+ 0 0 0 -50,-0.2 10,-0.4 1,-0.2 -1,-0.2 0.860 118.1 23.1 -57.6 -38.1 56.6 -0.2 21.0 73 88 A S H <4 S+ 0 0 0 -3,-0.7 7,-2.8 -52,-0.2 8,-0.4 0.752 126.7 47.5 -95.2 -29.8 58.1 2.3 18.6 74 89 A D H < S+ 0 0 6 -4,-2.5 -3,-0.2 5,-0.2 -2,-0.2 0.628 91.5 71.1 -96.7 -17.1 55.3 5.0 18.3 75 90 A I S < S+ 0 0 55 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.738 90.1 74.4 -74.3 -22.0 54.2 5.8 21.9 76 91 A T S S- 0 0 18 -5,-0.3 4,-0.1 -3,-0.2 5,-0.0 -0.536 89.5-103.5 -88.9 152.2 57.5 7.6 22.6 77 92 A S S S+ 0 0 105 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 -0.983 111.9 29.0-116.2 118.2 58.6 11.1 21.4 78 93 A P S > S- 0 0 20 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.633 110.9-108.3 -78.6 170.1 60.5 10.8 19.3 79 94 A N T 3 S+ 0 0 17 1,-0.2 -5,-0.2 -2,-0.1 -6,-0.1 -0.280 98.9 27.8 -55.4 141.5 59.5 7.4 17.7 80 95 A G T 3> S+ 0 0 2 -7,-2.8 4,-2.1 -8,-0.1 -1,-0.2 0.454 74.2 127.0 90.8 1.2 61.8 4.5 18.4 81 96 A L T <4 S+ 0 0 79 -3,-1.2 -2,-0.1 -8,-0.4 -8,-0.1 0.849 89.2 22.8 -60.2 -35.3 63.3 5.7 21.7 82 97 A K T 4 S+ 0 0 75 -10,-0.4 4,-0.4 -9,-0.1 -1,-0.2 0.601 123.3 53.7-108.1 -16.4 62.4 2.4 23.4 83 98 A S T > S+ 0 0 2 -11,-0.2 4,-2.7 2,-0.2 3,-0.4 0.821 98.1 63.5 -86.6 -36.3 62.2 0.0 20.4 84 99 A T H X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.912 97.0 56.3 -53.4 -48.0 65.7 0.9 19.0 85 100 A P H 4 S+ 0 0 51 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.872 112.6 44.6 -53.1 -35.0 67.4 -0.5 22.1 86 101 A I H >4 S+ 0 0 0 -4,-0.4 3,-1.1 -3,-0.4 4,-0.3 0.934 113.2 49.3 -71.3 -48.1 65.6 -3.8 21.3 87 102 A F H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.2 -3,-0.2 0.926 106.0 54.9 -56.0 -52.5 66.2 -3.8 17.6 88 103 A I T 3< S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.522 86.3 81.4 -66.2 -7.7 70.0 -3.1 17.8 89 104 A K T < S+ 0 0 89 -3,-1.1 -1,-0.3 -4,-0.2 2,-0.3 0.723 77.4 89.9 -67.6 -22.3 70.4 -6.2 20.1 90 105 A Q S < S- 0 0 3 -3,-2.1 2,-1.6 -4,-0.3 -49,-0.1 -0.608 87.8-124.6 -77.2 141.6 70.4 -8.1 16.8 91 106 A D - 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