==== 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-MAY-06 2H0R . COMPND 2 MOLECULE: NICOTINAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.B.TAYLOR,G.HU,P.J.HART,L.MCALISTER-HENN . 1512 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1060 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 245 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.5 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 . 0 0.0 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 . 111 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 226 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.8 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 7 0 0 10 0 7 8 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 1 5 0 14 14 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 . 14 0 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 7 0 0 0 7 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 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 1 A M 0 0 100 0, 0.0 154,-2.3 0, 0.0 155,-2.0 0.000 360.0 360.0 360.0 167.0 -44.8 254.8 23.3 2 2 A K E -a 156 0A 62 40,-0.5 42,-2.7 152,-0.2 43,-1.2 -0.757 360.0-170.3 -93.5 131.6 -47.0 256.8 20.9 3 3 A T E -ab 157 45A 0 153,-2.7 155,-2.9 -2,-0.5 2,-0.5 -0.954 10.7-149.2-117.8 145.3 -45.7 260.0 19.1 4 4 A L E -ab 158 46A 0 41,-1.9 43,-3.1 -2,-0.4 2,-0.5 -0.930 8.7-162.0-111.6 126.8 -47.8 262.4 17.1 5 5 A I E -ab 159 47A 0 153,-3.3 155,-2.3 -2,-0.5 2,-0.7 -0.953 2.6-159.9-112.2 123.0 -46.1 264.2 14.2 6 6 A V E -ab 160 48A 2 41,-2.8 43,-2.6 -2,-0.5 2,-0.5 -0.897 17.8-146.6-106.4 109.2 -47.8 267.3 12.9 7 7 A V E -ab 161 49A 0 153,-3.2 155,-2.4 -2,-0.7 43,-0.1 -0.675 54.7 -35.8 -93.6 120.3 -46.5 268.0 9.4 8 8 A D + 0 0 0 41,-0.7 2,-2.8 -2,-0.5 -1,-0.2 0.711 60.1 170.4 49.2 41.5 -46.1 271.5 8.0 9 9 A M + 0 0 0 40,-0.4 96,-2.4 -3,-0.3 2,-0.3 -0.401 35.0 145.5 -74.7 69.3 -49.1 273.3 9.5 10 10 A Q B >> -F 104 0B 0 -2,-2.8 4,-2.5 94,-0.3 3,-1.7 -0.737 64.0-111.9-115.9 157.3 -47.6 276.6 8.2 11 11 A N H 3> S+ 0 0 11 92,-2.5 4,-1.4 89,-0.4 7,-0.4 0.857 114.1 56.8 -52.4 -42.2 -49.0 279.9 6.9 12 12 A D H 34 S+ 0 0 10 89,-2.4 8,-2.5 91,-0.2 -1,-0.3 0.726 118.5 33.6 -70.9 -17.9 -47.7 279.3 3.4 13 13 A F H <4 S+ 0 0 7 -3,-1.7 9,-3.7 88,-0.3 -1,-0.2 0.641 129.7 31.3-101.1 -25.9 -49.7 276.0 3.2 14 14 A I H < S+ 0 0 2 -4,-2.5 12,-0.4 7,-0.2 -3,-0.2 0.838 97.8 80.6-106.2 -43.9 -52.7 276.9 5.3 15 15 A S S >< S- 0 0 13 -4,-1.4 3,-1.7 -5,-0.3 5,-0.2 -0.374 71.4-136.5 -66.5 138.5 -53.5 280.6 5.0 16 16 A P T 3 S+ 0 0 79 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 0.912 111.3 57.2 -56.1 -34.3 -55.4 281.7 1.9 17 17 A L T 3 S+ 0 0 27 3,-0.1 -5,-0.1 2,-0.0 84,-0.1 0.605 89.4 103.5 -72.1 -12.3 -52.8 284.5 1.9 18 18 A G S X S- 0 0 10 -3,-1.7 3,-0.6 -7,-0.4 -6,-0.2 -0.273 80.0-121.4 -70.7 163.1 -50.0 281.9 1.7 19 19 A S T 3 S+ 0 0 44 1,-0.2 -6,-0.1 74,-0.1 -1,-0.1 0.569 107.1 29.8 -81.7 -10.8 -48.1 281.2 -1.5 20 20 A L T 3 S- 0 0 6 -8,-2.5 -1,-0.2 -5,-0.2 -3,-0.1 -0.204 82.4-174.8-141.9 46.7 -49.0 277.5 -1.6 21 21 A T < - 0 0 53 -3,-0.6 -7,-0.2 -5,-0.2 -8,-0.1 -0.155 20.1-138.6 -49.4 125.6 -52.4 277.2 0.0 22 22 A V > - 0 0 1 -9,-3.7 3,-1.8 1,-0.1 4,-0.3 -0.763 33.4-107.2 -78.5 129.2 -53.7 273.7 0.5 23 23 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 170,-0.0 -0.302 103.0 6.7 -58.2 146.2 -57.5 273.7 -0.4 24 24 A K T 3 S+ 0 0 138 1,-0.1 3,-0.4 166,-0.1 4,-0.2 0.735 90.8 138.5 50.5 26.0 -59.6 273.4 2.8 25 25 A G X + 0 0 3 -3,-1.8 3,-2.4 1,-0.2 4,-0.5 0.889 60.3 60.6 -67.2 -41.1 -56.4 273.7 4.8 26 26 A E G > S+ 0 0 112 -12,-0.4 3,-0.9 1,-0.3 4,-0.5 0.790 89.3 72.7 -59.4 -25.5 -57.9 276.0 7.5 27 27 A E G 3 S+ 0 0 108 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.693 93.5 57.0 -62.5 -16.7 -60.3 273.2 8.3 28 28 A L G <> S+ 0 0 0 -3,-2.4 4,-3.1 -4,-0.2 5,-0.3 0.802 84.3 79.9 -83.9 -28.3 -57.5 271.3 9.9 29 29 A I H <> S+ 0 0 27 -3,-0.9 4,-2.8 -4,-0.5 5,-0.2 0.917 97.9 36.1 -51.4 -64.0 -56.3 273.9 12.4 30 30 A N H > S+ 0 0 104 -4,-0.5 4,-3.1 1,-0.2 5,-0.2 0.925 118.3 49.3 -60.0 -49.1 -58.8 273.4 15.2 31 31 A P H > S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.916 114.3 46.2 -55.6 -42.8 -59.2 269.6 14.9 32 32 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.922 111.1 52.4 -65.6 -42.6 -55.4 269.2 14.9 33 33 A S H X S+ 0 0 3 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.928 111.8 46.2 -57.8 -45.3 -55.1 271.5 17.9 34 34 A D H >X S+ 0 0 106 -4,-3.1 3,-0.9 -5,-0.2 4,-0.7 0.910 110.0 54.4 -59.3 -42.7 -57.7 269.4 19.7 35 35 A L H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.932 104.7 54.3 -59.3 -42.4 -55.9 266.3 18.6 36 36 A M H 3< S+ 0 0 9 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 114.2 41.3 -64.3 -21.4 -52.7 267.6 20.2 37 37 A Q H << S+ 0 0 94 -3,-0.9 2,-0.8 -4,-0.8 -1,-0.3 0.430 81.9 120.8-107.1 1.3 -54.5 268.2 23.5 38 38 A D X< - 0 0 60 -3,-1.3 3,-1.4 -4,-0.7 4,-0.4 -0.567 44.6-163.1 -84.1 107.3 -56.5 265.0 23.8 39 39 A A G > S+ 0 0 78 -2,-0.8 3,-2.0 1,-0.3 -1,-0.2 0.851 86.4 65.0 -51.2 -41.1 -55.7 263.0 26.9 40 40 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.798 93.6 61.0 -59.0 -28.6 -57.4 259.9 25.5 41 41 A R G < S- 0 0 49 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.714 93.8-146.8 -72.1 -21.4 -54.9 259.7 22.7 42 42 A D < - 0 0 120 -3,-2.0 -40,-0.5 -4,-0.4 2,-0.4 0.915 18.3-170.1 54.6 47.8 -52.0 259.3 25.2 43 43 A W - 0 0 36 -5,-0.4 -1,-0.2 1,-0.2 -40,-0.2 -0.600 12.6-168.8 -63.1 122.2 -49.5 261.1 23.2 44 44 A H S S+ 0 0 63 -42,-2.7 2,-0.3 -2,-0.4 -41,-0.2 0.807 75.7 0.7 -79.3 -33.8 -46.2 260.5 24.9 45 45 A R E -b 3 0A 87 -43,-1.2 -41,-1.9 -3,-0.1 2,-0.4 -0.974 63.3-153.2-145.9 156.5 -44.6 263.1 22.7 46 46 A I E -b 4 0A 23 -2,-0.3 72,-0.7 -43,-0.2 2,-0.4 -0.998 11.0-170.7-127.6 134.4 -45.7 265.4 20.0 47 47 A V E -bc 5 118A 0 -43,-3.1 -41,-2.8 -2,-0.4 2,-0.4 -0.985 4.8-160.7-121.7 138.4 -43.4 266.7 17.3 48 48 A V E -bc 6 119A 0 70,-2.6 72,-2.2 -2,-0.4 2,-0.3 -0.923 10.2-151.1-112.1 145.0 -44.3 269.4 14.8 49 49 A T E -bc 7 120A 0 -43,-2.6 -41,-0.7 -2,-0.4 2,-0.4 -0.854 6.6-162.8-113.1 151.2 -42.4 269.9 11.5 50 50 A R E - c 0 121A 32 70,-2.5 72,-2.8 -2,-0.3 2,-0.5 -0.997 24.8-128.6-128.3 136.0 -41.7 273.0 9.4 51 51 A D E - c 0 122A 3 -2,-0.4 2,-0.2 70,-0.2 72,-0.2 -0.751 35.8-174.8 -66.4 124.9 -40.6 273.4 5.8 52 52 A W + 0 0 29 70,-3.3 44,-0.2 -2,-0.5 43,-0.1 -0.574 7.5 175.0-131.8 69.5 -37.7 275.8 6.5 53 53 A H B -g 96 0C 0 42,-2.2 44,-2.8 -2,-0.2 71,-0.2 -0.434 31.2-126.3 -84.4 149.0 -36.1 277.0 3.2 54 54 A P > - 0 0 12 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.563 36.1-112.1 -75.3 157.5 -33.5 279.5 2.4 55 55 A S T 3 S+ 0 0 62 1,-0.3 5,-0.1 -2,-0.2 41,-0.1 0.791 117.8 54.1 -63.6 -26.5 -34.7 282.0 -0.1 56 56 A R T 3 S+ 0 0 195 3,-0.0 -1,-0.3 6,-0.0 -3,-0.0 0.080 81.0 152.3 -94.0 24.6 -32.2 280.7 -2.7 57 57 A H X - 0 0 0 -3,-1.7 3,-1.6 1,-0.1 6,-0.3 -0.230 51.4-130.2 -61.6 143.9 -33.6 277.1 -2.3 58 58 A I T 3 S+ 0 0 39 68,-2.2 -1,-0.1 1,-0.3 71,-0.1 0.654 102.0 67.5 -71.0 -13.3 -33.3 274.8 -5.3 59 59 A S T 3 S+ 0 0 0 67,-0.2 32,-2.7 69,-0.2 2,-0.4 0.590 81.4 89.1 -88.5 -8.0 -36.9 273.9 -5.1 60 60 A F B X S-h 91 0D 0 -3,-1.6 3,-2.0 30,-0.2 33,-0.1 -0.749 70.7-143.0 -90.4 130.9 -38.3 277.3 -6.0 61 61 A A G > S+ 0 0 2 30,-2.3 3,-2.1 -2,-0.4 6,-0.3 0.820 98.1 73.2 -58.4 -29.7 -38.9 278.1 -9.6 62 62 A K G 3 S+ 0 0 127 29,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.783 92.9 57.0 -54.6 -25.1 -37.7 281.7 -8.9 63 63 A N G < S+ 0 0 48 -3,-2.0 2,-0.4 -6,-0.3 -1,-0.3 0.184 94.9 74.6 -98.5 15.1 -34.2 280.2 -8.7 64 64 A H S X S- 0 0 32 -3,-2.1 3,-1.2 3,-0.3 -1,-0.0 -0.989 80.4-126.1-130.7 123.8 -34.1 278.7 -12.1 65 65 A K T 3 S+ 0 0 175 -2,-0.4 -2,-0.1 1,-0.3 3,-0.1 -0.349 93.9 8.0 -58.5 138.4 -33.7 280.7 -15.3 66 66 A D T 3 S+ 0 0 131 1,-0.1 2,-0.3 -2,-0.0 -1,-0.3 0.745 103.9 108.1 61.2 30.2 -36.4 280.0 -17.8 67 67 A K < - 0 0 69 -3,-1.2 -3,-0.3 -6,-0.3 -1,-0.1 -0.985 51.6-153.0-142.2 131.1 -38.6 277.8 -15.5 68 68 A E > - 0 0 136 -2,-0.3 3,-1.6 1,-0.1 22,-0.2 -0.555 37.3 -73.5-103.1 161.7 -41.9 278.8 -14.0 69 69 A P T 3 S+ 0 0 55 0, 0.0 22,-0.3 0, 0.0 -1,-0.1 -0.216 116.5 22.4 -59.3 147.5 -43.7 277.6 -10.8 70 70 A Y T 3 S+ 0 0 134 20,-3.3 21,-0.2 1,-0.3 2,-0.1 0.474 91.1 136.6 72.1 8.8 -45.2 274.1 -10.9 71 71 A S E < -I 90 0E 27 -3,-1.6 19,-3.0 19,-0.5 2,-0.3 -0.437 59.4-106.2 -79.3 159.7 -42.9 273.0 -13.8 72 72 A T E +I 89 0E 75 17,-0.2 2,-0.3 -2,-0.1 17,-0.2 -0.666 41.8 178.5 -84.5 141.6 -41.1 269.6 -13.8 73 73 A Y E -I 88 0E 56 15,-2.1 15,-3.6 -2,-0.3 2,-0.6 -0.946 27.1-127.3-142.4 155.9 -37.4 269.6 -13.1 74 74 A T E -I 87 0E 56 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.928 22.8-154.3-110.6 108.1 -34.7 267.0 -12.9 75 75 A Y E -I 86 0E 8 11,-3.0 11,-2.5 -2,-0.6 2,-0.4 -0.596 6.3-145.6 -78.0 145.1 -32.7 267.1 -9.7 76 76 A H E -I 85 0E 125 -2,-0.2 9,-0.2 9,-0.2 8,-0.1 -0.919 31.2 -95.8-111.1 133.1 -29.1 265.7 -9.7 77 77 A S - 0 0 11 7,-2.4 5,-0.1 -2,-0.4 4,-0.1 -0.160 23.4-147.8 -44.7 126.3 -27.6 264.0 -6.6 78 78 A P + 0 0 37 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.595 68.9 108.9 -73.7 -9.9 -25.6 266.4 -4.6 79 79 A R S > S- 0 0 98 1,-0.1 3,-2.1 2,-0.1 2,-0.0 -0.554 82.0-115.4 -66.7 121.6 -23.2 263.5 -3.6 80 80 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.388 102.3 16.2 -60.1 134.4 -19.9 264.1 -5.4 81 81 A G T 3 S+ 0 0 83 1,-0.2 2,-0.6 -4,-0.1 -2,-0.1 0.252 100.0 113.7 79.4 -11.8 -19.4 261.2 -7.9 82 82 A D < + 0 0 52 -3,-2.1 -1,-0.2 -5,-0.1 -3,-0.0 -0.826 38.4 176.5 -90.5 123.9 -23.1 260.3 -7.7 83 83 A D + 0 0 141 -2,-0.6 -1,-0.1 -3,-0.1 -2,-0.0 0.307 34.5 121.3-113.3 10.6 -24.8 260.9 -11.0 84 84 A S - 0 0 55 -8,-0.1 -7,-2.4 1,-0.0 2,-0.3 -0.174 44.6-156.4 -67.5 167.6 -28.3 259.6 -10.3 85 85 A T E -I 76 0E 72 -9,-0.2 2,-0.4 -8,-0.0 -9,-0.2 -0.956 10.7-149.8-145.0 159.1 -31.3 261.9 -10.7 86 86 A Q E -I 75 0E 70 -11,-2.5 -11,-3.0 -2,-0.3 2,-0.3 -0.999 22.6-118.6-137.4 144.4 -34.8 262.5 -9.5 87 87 A E E +I 74 0E 140 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.566 43.6 171.7 -75.7 136.5 -37.9 264.0 -11.1 88 88 A G E -I 73 0E 10 -15,-3.6 -15,-2.1 -2,-0.3 2,-0.4 -0.807 32.9-118.6-138.7 175.5 -39.2 267.0 -9.2 89 89 A I E -I 72 0E 43 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.982 21.9-138.2-117.1 133.3 -41.6 269.9 -9.2 90 90 A L E -I 71 0E 0 -19,-3.0 -20,-3.3 -2,-0.4 -19,-0.5 -0.828 32.0-159.7 -90.4 125.9 -40.4 273.5 -9.0 91 91 A W B -h 60 0D 14 -32,-2.7 -30,-2.3 -2,-0.6 -29,-0.5 -0.520 23.7 -91.1-103.5 165.0 -42.7 275.4 -6.6 92 92 A P - 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