==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-OCT-06 2IM5 . COMPND 2 MOLECULE: NICOTINATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW . 1556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1121 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 7.5 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 . 4 0.3 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 . 80 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 591 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 8 0 4 8 0 4 5 11 0 12 8 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 12 8 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 . 8 4 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 4 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 3 A I 0 0 28 0, 0.0 2,-0.7 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 -47.2 11.9 -6.3 -27.3 2 4 A I + 0 0 12 1,-0.2 3,-0.1 49,-0.2 56,-0.1 -0.784 360.0 165.0 -88.3 114.8 14.2 -7.4 -30.2 3 5 A R + 0 0 206 -2,-0.7 2,-0.4 1,-0.1 -1,-0.2 0.653 56.2 53.6-103.5 -20.8 16.8 -9.7 -28.6 4 6 A S > - 0 0 9 1,-0.1 3,-1.7 54,-0.1 -1,-0.1 -0.948 64.6-143.9-122.0 139.9 18.3 -11.5 -31.6 5 7 A I T 3 S+ 0 0 11 -2,-0.4 55,-0.1 54,-0.3 -1,-0.1 0.675 108.1 57.1 -69.9 -12.7 19.8 -10.0 -34.8 6 8 A L T 3 S+ 0 0 0 1,-0.1 2,-2.3 189,-0.1 190,-2.0 0.434 73.8 105.8 -95.0 -1.6 18.2 -13.1 -36.5 7 9 A D < + 0 0 2 -3,-1.7 2,-0.3 188,-0.2 -1,-0.1 -0.533 67.1 80.7 -80.2 77.8 14.7 -12.2 -35.2 8 10 A T S S- 0 0 6 -2,-2.3 187,-1.9 185,-0.1 188,-0.4 -0.927 89.2 -67.9-164.1 177.0 13.6 -11.0 -38.6 9 11 A D B >> -A 194 0A 4 -2,-0.3 3,-1.4 185,-0.2 4,-0.8 -0.555 35.7-125.3 -83.5 146.7 12.3 -12.4 -41.9 10 12 A L H >> S+ 0 0 3 183,-1.6 4,-2.0 196,-0.4 3,-1.2 0.896 107.8 62.3 -53.7 -43.9 14.5 -14.6 -44.2 11 13 A Y H 3> S+ 0 0 22 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.729 92.1 65.4 -59.6 -21.6 13.8 -12.3 -47.2 12 14 A K H <> S+ 0 0 0 -3,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.903 109.0 39.1 -67.2 -38.3 15.5 -9.4 -45.4 13 15 A F H < + 0 0 12 -4,-2.3 3,-1.6 -5,-0.5 89,-0.3 -0.296 63.3 147.9-134.0 52.5 23.7 -2.4 -55.7 24 26 A P T 3 S+ 0 0 8 0, 0.0 1224,-0.2 0, 0.0 -4,-0.1 0.609 78.1 49.9 -62.9 -12.1 26.0 -1.5 -52.7 25 27 A R T 3 S+ 0 0 67 329,-0.2 331,-0.1 -6,-0.1 -5,-0.1 0.485 85.9 115.9-103.7 -5.8 25.8 2.2 -53.5 26 28 A A < - 0 0 0 -3,-1.6 85,-2.3 -7,-0.2 86,-0.4 -0.279 49.0-155.0 -67.5 149.7 22.0 2.4 -53.7 27 29 A Y E +BC 110 353B 73 326,-2.0 326,-1.8 83,-0.3 2,-0.3 -0.866 13.3 179.6-120.3 155.1 19.9 4.4 -51.2 28 30 A G E -BC 109 352B 0 81,-2.5 81,-1.8 -2,-0.3 2,-0.4 -0.990 20.9-144.5-153.5 157.7 16.4 3.9 -50.2 29 31 A E E -BC 108 351B 12 322,-2.3 321,-3.2 -2,-0.3 322,-1.1 -0.985 14.0-161.1-128.5 121.1 13.7 5.3 -47.9 30 32 A F E -BC 107 349B 2 77,-2.8 77,-1.7 -2,-0.4 2,-0.5 -0.817 8.3-157.5 -99.5 139.0 11.2 3.1 -46.2 31 33 A R E -BC 106 348B 44 317,-2.7 317,-1.9 -2,-0.4 2,-0.2 -0.973 11.6-134.5-123.9 129.9 8.0 4.6 -44.9 32 34 A F E - C 0 347B 6 73,-2.8 2,-0.4 -2,-0.5 73,-0.3 -0.552 23.6-168.9 -75.3 139.9 5.7 3.2 -42.2 33 35 A I E - C 0 346B 67 313,-3.3 313,-1.9 -2,-0.2 2,-1.0 -0.962 17.3-160.6-137.7 118.5 2.0 3.3 -43.0 34 36 A D E > - C 0 345B 10 -2,-0.4 3,-2.1 69,-0.3 311,-0.2 -0.847 10.6-165.2 -95.8 100.8 -0.8 2.6 -40.6 35 37 A R T 3 S+ 0 0 127 309,-2.0 -1,-0.1 -2,-1.0 310,-0.1 0.506 86.3 55.9 -67.3 -3.2 -3.6 1.8 -43.0 36 38 A N T 3 S- 0 0 92 308,-0.4 -1,-0.3 2,-0.0 309,-0.1 0.383 101.0-135.5-105.9 0.3 -6.2 2.2 -40.3 37 39 A R < - 0 0 174 -3,-2.1 -2,-0.1 1,-0.1 2,-0.1 0.863 34.6-177.1 46.2 46.3 -5.0 5.8 -39.5 38 40 A Q - 0 0 47 1,-0.1 65,-0.5 65,-0.1 2,-0.3 -0.386 29.5-108.2 -70.4 150.6 -5.1 5.1 -35.7 39 41 A G - 0 0 66 63,-0.1 2,-0.3 -2,-0.1 63,-0.2 -0.644 37.9-168.6 -82.8 136.5 -4.2 8.1 -33.5 40 42 A F - 0 0 19 61,-2.4 2,-0.2 -2,-0.3 0, 0.0 -0.946 11.1-135.6-127.3 148.5 -0.9 7.8 -31.7 41 43 A T >> - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.616 24.4-114.7-100.9 161.0 0.6 9.9 -28.9 42 44 A E H 3> S+ 0 0 100 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.773 115.0 59.2 -63.6 -27.5 4.1 11.3 -28.5 43 45 A E H 3> S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.862 106.1 47.4 -72.1 -32.7 4.7 9.1 -25.5 44 46 A F H <> S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 3,-0.2 0.932 110.0 53.3 -69.3 -44.1 4.1 6.0 -27.7 45 47 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.887 108.0 51.6 -56.0 -38.9 6.4 7.5 -30.4 46 48 A E H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.855 105.7 53.8 -67.7 -34.6 9.0 7.8 -27.6 47 49 A L H X S+ 0 0 73 -4,-1.5 4,-1.8 -3,-0.2 -2,-0.2 0.902 109.6 49.3 -65.2 -38.8 8.6 4.2 -26.7 48 50 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.935 108.7 51.5 -65.3 -46.6 9.3 3.3 -30.3 49 51 A R H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.877 108.4 53.2 -58.6 -37.7 12.4 5.5 -30.4 50 52 A G H X S+ 0 0 31 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 109.6 46.9 -64.6 -41.1 13.7 3.8 -27.3 51 53 A E H X S+ 0 0 38 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.890 111.3 51.9 -67.3 -39.7 13.2 0.3 -28.8 52 54 A I H < S+ 0 0 6 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.919 111.1 47.2 -63.8 -42.0 14.9 1.4 -32.0 53 55 A R H >< S+ 0 0 130 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.885 106.4 58.7 -66.6 -36.7 17.9 2.8 -30.0 54 56 A A H >< S+ 0 0 57 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.839 92.8 68.7 -60.9 -32.4 18.0 -0.5 -28.0 55 57 A M G >< S+ 0 0 3 -4,-1.4 3,-1.7 -3,-0.3 33,-0.5 0.695 79.4 78.1 -61.9 -18.6 18.5 -2.4 -31.3 56 58 A A G < S+ 0 0 36 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.696 87.6 60.4 -64.7 -16.5 22.0 -0.8 -31.7 57 59 A A G < S+ 0 0 84 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.588 80.0 111.0 -87.2 -11.2 23.2 -3.3 -29.1 58 60 A L < + 0 0 15 -3,-1.7 2,-0.3 -4,-0.2 30,-0.3 -0.341 40.0 167.8 -66.1 141.9 22.3 -6.4 -31.1 59 61 A S - 0 0 49 28,-0.1 -54,-0.3 -2,-0.0 2,-0.1 -0.978 41.4 -96.0-156.0 144.3 25.1 -8.5 -32.5 60 62 A L - 0 0 9 23,-0.5 2,-0.1 -2,-0.3 -56,-0.0 -0.380 41.0-140.0 -61.3 128.9 25.3 -12.0 -34.2 61 63 A T > - 0 0 68 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.392 22.6-108.4 -84.9 170.2 26.3 -14.6 -31.6 62 64 A R H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 120.2 49.0 -65.2 -41.6 28.7 -17.5 -32.4 63 65 A D H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 110.3 51.0 -65.9 -38.2 25.9 -20.0 -32.5 64 66 A E H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 108.7 51.6 -66.1 -39.8 23.8 -17.9 -34.8 65 67 A K H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.924 110.7 47.7 -62.1 -44.4 26.8 -17.5 -37.1 66 68 A E H X S+ 0 0 69 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.866 110.7 53.1 -63.9 -36.3 27.3 -21.3 -37.2 67 69 A F H X>S+ 0 0 22 -4,-2.1 4,-3.6 2,-0.2 5,-0.5 0.936 108.3 49.2 -63.6 -47.2 23.5 -21.7 -37.9 68 70 A L H X5S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 7,-0.3 0.908 111.0 50.4 -59.4 -41.9 23.7 -19.3 -40.8 69 71 A Q H <5S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.878 120.0 35.9 -65.2 -36.5 26.6 -21.1 -42.3 70 72 A R H <5S+ 0 0 183 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.887 128.9 28.9 -85.5 -40.4 24.9 -24.5 -42.0 71 73 A E H <5S+ 0 0 97 -4,-3.6 134,-0.3 1,-0.2 -3,-0.2 0.651 124.0 41.1 -98.0 -19.0 21.3 -23.6 -42.7 72 74 A L ><< + 0 0 0 -4,-1.9 3,-2.1 -5,-0.5 -1,-0.2 -0.422 63.4 153.7-126.4 58.4 21.5 -20.6 -45.1 73 75 A P T 3 + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.684 63.6 74.1 -59.4 -22.5 24.4 -21.6 -47.3 74 76 A Y T 3 S+ 0 0 30 -3,-0.1 -5,-0.1 2,-0.1 167,-0.1 0.636 80.8 82.3 -68.5 -10.6 23.0 -19.5 -50.2 75 77 A L S < S- 0 0 4 -3,-2.1 -3,-0.1 -7,-0.3 5,-0.1 -0.864 89.2-132.1 -93.3 113.7 24.3 -16.5 -48.1 76 78 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.138 19.6-104.1 -63.3 161.3 28.0 -16.4 -49.0 77 79 A P H 3> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.837 119.4 61.2 -55.5 -36.1 30.8 -16.1 -46.4 78 80 A I H 3> S+ 0 0 18 1,-0.2 4,-1.7 1116,-0.2 5,-0.1 0.884 105.9 46.3 -61.1 -37.7 31.3 -12.4 -47.2 79 81 A Y H <> S+ 0 0 3 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.851 109.6 53.7 -73.8 -33.8 27.7 -11.7 -46.2 80 82 A I H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.883 108.5 50.1 -66.6 -36.7 28.1 -13.7 -43.0 81 83 A D H X S+ 0 0 27 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.895 110.1 51.5 -66.4 -39.1 31.1 -11.6 -42.2 82 84 A F H X S+ 0 0 8 -4,-1.7 4,-0.8 1,-0.2 3,-0.3 0.949 112.6 44.0 -61.5 -49.4 29.1 -8.4 -42.9 83 85 A L H >< S+ 0 0 3 -4,-2.7 -23,-0.5 1,-0.2 3,-0.5 0.877 108.7 59.1 -63.5 -36.9 26.3 -9.6 -40.5 84 86 A D H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.8 32.2 -62.1 -34.3 28.8 -10.7 -37.9 85 87 A G H 3< S+ 0 0 36 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.421 95.9 121.5-102.5 2.2 30.2 -7.1 -37.7 86 88 A F << - 0 0 6 -4,-0.8 2,-0.4 -3,-0.5 -26,-0.3 -0.372 36.2-177.5 -70.9 141.4 26.9 -5.4 -38.4 87 89 A R - 0 0 109 -2,-0.1 -31,-0.1 -28,-0.1 -28,-0.1 -0.994 30.1-116.7-139.4 128.5 25.3 -2.9 -36.0 88 90 A F - 0 0 15 -33,-0.5 26,-0.0 -2,-0.4 -30,-0.0 -0.379 24.1-144.7 -61.8 139.2 22.0 -1.2 -36.5 89 91 A D > - 0 0 50 1,-0.1 3,-2.1 -2,-0.0 4,-0.2 -0.881 7.2-162.6-113.1 100.2 22.4 2.6 -36.7 90 92 A P G > S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.713 82.6 70.7 -51.3 -29.1 19.4 4.4 -35.1 91 93 A E G 3 S+ 0 0 163 1,-0.3 17,-0.1 -38,-0.1 -38,-0.0 0.595 84.3 68.5 -71.9 -5.9 20.1 7.7 -36.8 92 94 A E G < S+ 0 0 26 -3,-2.1 16,-2.8 15,-0.1 2,-0.4 0.633 95.8 72.4 -80.6 -12.9 18.9 6.2 -40.1 93 95 A V E < -D 107 0B 17 -3,-1.7 2,-0.5 -4,-0.2 14,-0.2 -0.883 61.8-170.0-110.8 132.4 15.5 6.1 -38.5 94 96 A T E -D 106 0B 90 12,-2.8 12,-2.1 -2,-0.4 2,-0.4 -0.974 6.0-170.0-122.8 121.6 13.2 9.1 -37.8 95 97 A V E +D 105 0B 11 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.892 20.4 139.2-111.9 138.7 10.0 8.6 -35.7 96 98 A S E -D 104 0B 43 8,-2.4 8,-3.5 -2,-0.4 2,-0.6 -0.987 51.4-107.6-166.2 167.7 7.3 11.2 -35.2 97 99 A I E -D 103 0B 38 -2,-0.3 6,-0.2 6,-0.2 -55,-0.0 -0.938 44.7-136.8-104.2 121.5 3.6 12.0 -35.0 98 100 A D > - 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