==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-DEC-11 3V7B . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR J.OSIPIUK,E.DUGGAN,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 289 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 26.3 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 1.4 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 . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 4 0 2 0 6 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 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 2 A V 0 0 154 0, 0.0 2,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 136.3 51.1 8.8 -8.5 2 3 A H > + 0 0 97 1,-0.2 3,-1.8 69,-0.1 4,-0.3 -0.809 360.0 1.9-106.1 148.8 48.9 10.3 -5.9 3 4 A D G > S- 0 0 0 -2,-0.3 3,-2.1 1,-0.3 -1,-0.2 0.816 122.5 -68.1 49.7 41.7 49.7 12.8 -3.2 4 5 A S G 3 S- 0 0 72 -3,-0.3 -1,-0.3 1,-0.3 45,-0.1 0.802 83.0 -76.3 49.7 33.1 53.4 13.1 -4.5 5 6 A A G < S+ 0 0 67 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.774 79.1 175.7 52.1 29.6 54.0 9.5 -3.3 6 7 A L < - 0 0 31 -3,-2.1 -1,-0.2 -4,-0.3 -4,-0.1 -0.381 32.7-105.2 -64.0 147.0 54.2 10.8 0.3 7 8 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.171 33.6 -97.6 -71.3 164.9 54.5 8.1 3.0 8 9 A F T 3 S+ 0 0 36 1,-0.3 76,-0.1 62,-0.0 -2,-0.1 0.733 122.9 49.9 -51.8 -27.5 51.6 7.0 5.3 9 10 A D T 3 S+ 0 0 72 75,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.140 78.3 134.9-106.7 16.0 52.9 9.3 8.1 10 11 A A < - 0 0 11 -3,-2.0 -4,-0.0 1,-0.0 0, 0.0 -0.424 40.9-152.5 -61.8 141.6 53.3 12.5 6.1 11 12 A L - 0 0 91 -2,-0.1 -2,-0.1 42,-0.0 42,-0.0 -0.910 23.7 -96.6-118.4 148.2 51.9 15.6 7.8 12 13 A P - 0 0 17 0, 0.0 56,-0.0 0, 0.0 42,-0.0 -0.296 36.3-178.7 -57.9 142.9 50.6 18.8 6.1 13 14 A X - 0 0 140 40,-0.1 32,-0.1 4,-0.0 35,-0.0 -0.647 12.3-158.9-145.3 77.6 53.1 21.7 5.8 14 15 A P > - 0 0 14 0, 0.0 3,-1.7 0, 0.0 32,-0.2 -0.426 25.3-127.8 -63.0 131.4 51.5 24.8 4.2 15 16 A P T 3 S+ 0 0 104 0, 0.0 31,-0.1 0, 0.0 29,-0.0 0.780 102.6 39.1 -66.3 -25.3 54.5 26.7 3.0 16 17 A Q T > S- 0 0 138 1,-0.2 3,-1.1 27,-0.0 27,-0.0 0.354 92.2-164.0-100.4 4.9 53.7 30.1 4.6 17 18 A G G X - 0 0 21 -3,-1.7 3,-1.5 1,-0.2 -1,-0.2 -0.067 60.7 -7.1 54.6-148.4 52.3 28.6 7.9 18 19 A R G 3 S+ 0 0 46 1,-0.3 -1,-0.2 43,-0.1 39,-0.1 0.598 130.4 61.3 -57.0 -22.8 50.3 30.8 10.3 19 20 A E G < S+ 0 0 160 -3,-1.1 -1,-0.3 23,-0.1 2,-0.2 0.101 84.1 116.3 -92.9 18.9 50.8 34.0 8.3 20 21 A G < - 0 0 14 -3,-1.5 23,-1.4 1,-0.1 24,-0.1 -0.543 46.5-170.1 -84.6 160.7 49.1 32.5 5.3 21 22 A F + 0 0 167 21,-0.2 2,-0.2 -2,-0.2 23,-0.2 0.537 44.7 118.6-116.7 -16.5 45.9 33.7 3.8 22 23 A E - 0 0 107 21,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.425 57.5-135.6 -79.3 126.5 44.9 30.9 1.3 23 24 A E - 0 0 112 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.426 19.1 -99.3 -87.9 155.4 41.6 29.4 2.2 24 25 A a > - 0 0 10 3,-0.4 3,-0.8 1,-0.1 5,-0.1 -0.530 25.7-141.0 -68.6 130.2 40.6 25.8 2.3 25 26 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.791 98.0 30.8 -67.2 -16.4 38.7 24.8 -0.9 26 27 A Y T 3 S+ 0 0 4 1,-0.2 2,-0.4 2,-0.0 118,-0.2 0.282 112.6 57.5-125.7 6.8 36.3 22.6 1.0 27 28 A L S < S- 0 0 1 -3,-0.8 -3,-0.4 117,-0.1 2,-0.3 -0.965 76.1-126.9-140.9 126.3 35.9 24.1 4.5 28 29 A D > - 0 0 74 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.563 14.3-138.5 -74.3 131.2 34.7 27.6 5.3 29 30 A S H > S+ 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.897 102.9 49.4 -58.6 -44.4 37.1 29.5 7.6 30 31 A Q H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.3 50.9 -60.6 -45.2 34.2 31.1 9.6 31 32 A W H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 109.6 50.2 -61.7 -41.3 32.6 27.7 10.1 32 33 A V H X>S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.921 108.8 51.5 -64.0 -40.8 35.8 26.1 11.3 33 34 A A H X5S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.949 114.7 43.6 -62.1 -43.0 36.4 28.9 13.9 34 35 A D H <5S+ 0 0 132 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.906 118.1 43.6 -67.4 -44.4 32.9 28.4 15.2 35 36 A T H <5S+ 0 0 24 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.955 122.6 36.2 -65.7 -51.2 33.0 24.6 15.2 36 37 A N H <5S- 0 0 0 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.901 106.6-130.8 -76.4 -40.3 36.6 24.3 16.7 37 38 A G << + 0 0 51 -4,-2.5 2,-0.4 -5,-0.5 -3,-0.1 0.491 64.4 100.1 112.1 5.1 36.1 27.3 19.0 38 39 A Q S S- 0 0 34 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.942 73.2-102.7-124.9 142.6 39.0 29.6 18.6 39 40 A R - 0 0 216 -2,-0.4 2,-0.4 1,-0.1 20,-0.3 -0.302 42.4-109.2 -57.2 143.3 39.5 32.8 16.6 40 41 A X + 0 0 56 1,-0.2 18,-0.3 18,-0.1 3,-0.1 -0.599 35.6 171.2 -80.8 127.0 41.4 32.5 13.3 41 42 A T - 0 0 72 16,-2.9 2,-0.3 1,-0.4 17,-0.2 0.726 69.1 -44.0 -92.5 -38.4 44.9 34.0 13.0 42 43 A G E -A 57 0A 7 15,-1.5 15,-2.8 -23,-0.1 -1,-0.4 -0.970 50.9-150.0-178.4 176.5 45.6 32.4 9.6 43 44 A Q E -A 56 0A 11 -23,-1.4 -21,-0.3 -2,-0.3 2,-0.3 -0.974 7.8-169.9-160.6 157.8 45.4 29.3 7.5 44 45 A G E -A 55 0A 7 11,-2.1 11,-2.7 -2,-0.3 2,-0.3 -0.928 15.1-132.2-151.2 170.9 47.1 27.5 4.6 45 46 A V E -A 54 0A 24 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.933 9.1-145.7-124.7 151.7 46.9 24.7 2.2 46 47 A D E > -A 53 0A 6 7,-2.2 7,-2.0 -2,-0.3 3,-1.0 -0.936 10.2-171.5-123.2 103.4 49.4 22.0 1.2 47 48 A T T 3 + 0 0 107 -2,-0.6 -1,-0.1 1,-0.2 -44,-0.1 0.258 65.5 95.3 -85.8 9.0 49.0 21.1 -2.4 48 49 A R T 3 S+ 0 0 81 -45,-0.1 2,-0.3 5,-0.1 -1,-0.2 0.839 79.1 71.4 -59.9 -27.2 51.4 18.1 -2.3 49 50 A F S < S- 0 0 3 -3,-1.0 21,-0.1 -46,-0.1 4,-0.0 -0.640 93.8-123.2 -90.3 143.1 48.2 16.1 -1.8 50 51 A D S S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 20,-0.1 0.930 115.2 39.4 -50.1 -49.5 45.8 15.6 -4.7 51 52 A T S S- 0 0 21 18,-0.3 18,-0.5 -3,-0.0 -1,-0.2 -0.918 112.1-114.9 -94.9 115.5 43.2 17.2 -2.4 52 53 A P - 0 0 29 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.221 21.9-124.0 -57.0 139.7 45.1 19.9 -0.6 53 54 A A E -A 46 0A 0 -7,-2.0 -7,-2.2 15,-0.1 2,-0.4 -0.531 25.8-146.3 -73.6 146.8 45.5 19.6 3.1 54 55 A a E -AB 45 67A 0 13,-2.6 13,-3.1 -9,-0.2 2,-0.4 -0.972 12.8-169.0-123.9 134.4 44.2 22.5 5.1 55 56 A V E -AB 44 66A 5 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.5 -0.974 3.6-161.3-128.4 136.6 45.6 23.9 8.3 56 57 A F E -AB 43 65A 0 9,-2.9 8,-2.1 -2,-0.4 9,-1.8 -0.976 6.2-163.6-127.7 126.7 44.0 26.4 10.6 57 58 A W E +A 42 0A 25 -15,-2.8 -16,-2.9 -2,-0.5 -15,-1.5 -0.848 13.0 173.6-112.5 140.7 45.8 28.5 13.2 58 59 A S - 0 0 3 4,-0.4 -18,-0.1 -2,-0.4 6,-0.0 -0.300 65.7 -55.2-112.5-150.6 44.7 30.5 16.2 59 60 A Y S S+ 0 0 178 -20,-0.3 -19,-0.1 -2,-0.2 -2,-0.0 0.832 109.0 86.3 -68.3 -31.6 46.9 32.2 18.7 60 61 A P S S- 0 0 34 0, 0.0 -2,-0.2 0, 0.0 4,-0.1 -0.200 83.5-121.7 -63.0 162.5 49.0 29.1 19.7 61 62 A E S S+ 0 0 168 2,-0.1 -43,-0.1 -4,-0.1 3,-0.1 0.955 98.9 69.4 -63.4 -49.1 52.0 28.0 17.8 62 63 A A S S- 0 0 64 1,-0.1 -4,-0.4 -5,-0.1 65,-0.1 -0.465 102.3 -99.7 -68.3 138.3 50.4 24.6 17.1 63 64 A P - 0 0 40 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.152 16.2-134.7 -58.5 156.7 47.5 24.7 14.7 64 65 A Q S S+ 0 0 0 -8,-2.1 63,-2.6 1,-0.3 64,-0.4 0.815 88.5 2.7 -77.8 -32.5 43.9 24.7 16.1 65 66 A A E -BC 56 126A 1 -9,-1.8 -9,-2.9 61,-0.2 2,-0.4 -0.982 59.8-165.4-153.6 144.6 42.9 22.2 13.4 66 67 A T E -BC 55 125A 20 59,-2.6 59,-2.2 -2,-0.3 2,-0.5 -0.997 6.6-165.9-132.1 133.1 44.5 20.2 10.6 67 68 A V E -BC 54 124A 0 -13,-3.1 -13,-2.6 -2,-0.4 2,-0.4 -0.979 8.4-176.2-126.2 122.3 42.5 18.4 7.9 68 69 A X E - C 0 123A 0 55,-2.9 55,-2.9 -2,-0.5 2,-0.5 -0.984 11.3-166.7-127.5 123.4 44.3 15.9 5.7 69 70 A V E - C 0 122A 0 -18,-0.5 2,-0.4 -2,-0.4 -18,-0.3 -0.928 13.8-168.4-105.6 122.2 42.9 14.0 2.7 70 71 A R E - C 0 121A 3 51,-3.4 51,-2.4 -2,-0.5 2,-0.7 -0.927 17.4-165.3-117.6 129.3 45.0 11.1 1.4 71 72 A H E - C 0 120A 43 -2,-0.4 49,-0.2 49,-0.2 -21,-0.1 -0.927 25.6-167.8-109.0 103.5 44.6 9.1 -1.8 72 73 A X - 0 0 8 47,-2.7 -69,-0.1 -2,-0.7 6,-0.1 -0.507 33.3-115.1 -90.2 159.0 46.7 6.0 -1.2 73 74 A P S S+ 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.644 98.4 10.5 -63.3 -19.9 47.9 3.4 -3.8 74 75 A S S > S- 0 0 45 45,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.980 73.7-112.4-152.7 167.1 45.8 0.8 -1.9 75 76 A E H > S+ 0 0 99 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.896 116.8 60.3 -66.6 -39.7 43.2 0.4 0.8 76 77 A E H > S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 106.6 45.3 -52.0 -46.8 45.8 -1.4 2.9 77 78 A E H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.844 109.5 54.6 -69.2 -35.4 47.9 1.8 2.8 78 79 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.884 108.5 50.8 -63.2 -37.3 44.8 3.9 3.6 79 80 A I H X S+ 0 0 48 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.874 105.1 56.1 -66.1 -36.0 44.3 1.7 6.7 80 81 A R H X S+ 0 0 121 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.919 108.0 48.7 -62.8 -41.8 48.0 2.2 7.7 81 82 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.964 113.0 46.7 -58.2 -53.0 47.4 6.0 7.7 82 83 A V H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.914 113.2 48.1 -60.9 -43.2 44.2 5.7 9.8 83 84 A D H < S+ 0 0 66 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.820 112.2 50.8 -69.4 -30.8 45.9 3.3 12.3 84 85 A W H < S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.971 116.4 39.1 -67.8 -46.4 48.9 5.6 12.5 85 86 A A H < S+ 0 0 13 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.827 132.6 26.1 -71.0 -34.1 46.7 8.7 13.2 86 87 A A S < S- 0 0 2 -4,-2.6 -1,-0.3 -5,-0.3 5,-0.1 -0.781 88.8-145.5-134.8 82.9 44.2 6.8 15.5 87 88 A P >> - 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.222 17.1-122.3 -64.4 149.1 46.0 3.7 17.1 88 89 A I T 34 S+ 0 0 132 1,-0.3 3,-0.4 2,-0.2 -4,-0.0 0.829 108.9 43.0 -62.0 -37.7 43.9 0.6 17.6 89 90 A D T 34 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.418 117.3 42.5 -92.8 3.3 44.5 0.5 21.3 90 91 A T T <4 S+ 0 0 77 -3,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.329 107.8 55.6-127.1 1.7 44.1 4.2 22.2 91 92 A T S < S- 0 0 33 -4,-0.9 14,-0.2 -3,-0.4 3,-0.1 -0.911 70.3-123.8-135.3 165.9 41.1 5.2 20.2 92 93 A E E -D 104 0A 98 12,-2.8 12,-1.9 -2,-0.3 -2,-0.1 -0.597 46.4 -77.0-107.1 161.7 37.4 4.2 19.8 93 94 A P E -D 103 0A 88 0, 0.0 2,-0.4 0, 0.0 10,-0.3 -0.343 36.9-163.9 -63.6 144.6 35.7 3.3 16.6 94 95 A A E +D 102 0A 0 8,-1.8 8,-2.2 20,-0.2 19,-0.0 -0.999 18.9 162.4-122.1 119.4 34.7 6.0 14.1 95 96 A E + 0 0 87 -2,-0.4 4,-0.3 6,-0.2 5,-0.2 0.022 28.2 140.9-129.8 29.1 32.2 4.8 11.6 96 97 A E + 0 0 31 2,-0.1 2,-0.1 3,-0.1 5,-0.0 -0.922 47.3 38.0-128.1 149.6 30.7 7.9 10.2 97 98 A P S > S- 0 0 30 0, 0.0 3,-2.4 0, 0.0 -3,-0.0 0.667 108.9 -89.2 -67.8 170.1 29.8 9.0 7.5 98 99 A D T 3 S+ 0 0 145 1,-0.3 -2,-0.1 -2,-0.1 3,-0.1 -0.132 115.1 27.3 -55.6 132.1 28.4 5.7 6.3 99 100 A G T 3 S+ 0 0 62 1,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.253 100.5 105.5 101.0 -8.0 30.9 3.6 4.5 100 101 A W < - 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