==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-OCT-06 2IQI . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN XCC0632; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR J.B.BONANNO,J.GILMORE,K.T.BAIN,C.MCKENZIE,L.PELLETIER, . 1375 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 276 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 1 0.1 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 . 1 0.1 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 . 145 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 0 0 0 0 0 0 5 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 11 13 19 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 0 0 PARALLEL BRIDGES PER LADDER . 3 5 5 1 0 0 0 0 0 0 1 15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 2 1 3 0 0 0 0 0 0 0 1 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 32 A A 0 0 115 0, 0.0 2,-0.3 0, 0.0 53,-0.2 0.000 360.0 360.0 360.0 123.1 55.9 35.3 49.4 2 33 A T E -a 54 0A 49 51,-2.6 53,-1.9 221,-0.0 2,-0.6 -0.620 360.0-144.0 -71.7 135.3 53.6 32.7 47.9 3 34 A I E -a 55 0A 49 219,-0.5 219,-2.5 -2,-0.3 2,-0.3 -0.907 10.6-155.7-105.4 116.5 54.4 32.3 44.2 4 35 A Y E +aB 56 221A 15 51,-3.1 53,-2.5 -2,-0.6 217,-0.2 -0.683 12.5 179.8 -86.4 139.2 51.4 31.6 41.8 5 36 A A - 0 0 10 215,-3.1 51,-0.1 -2,-0.3 2,-0.0 -0.796 13.0-155.7-141.0 97.3 51.9 29.8 38.5 6 37 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 141,-0.1 -0.334 10.1-137.5 -67.4 155.9 48.8 29.2 36.4 7 38 A T - 0 0 51 2,-0.1 2,-0.6 -2,-0.0 147,-0.1 -0.984 18.3-169.0-119.8 117.7 48.7 26.5 33.9 8 39 A V + 0 0 26 -2,-0.5 2,-0.5 145,-0.1 143,-0.0 -0.937 11.3 172.1-119.5 105.5 47.1 27.4 30.6 9 40 A R - 0 0 114 -2,-0.6 2,-0.6 62,-0.0 -2,-0.1 -0.965 20.7-151.2-107.0 119.0 46.3 24.7 28.1 10 41 A V - 0 0 9 -2,-0.5 -2,-0.0 57,-0.1 145,-0.0 -0.847 10.7-134.3-100.3 121.0 44.3 26.0 25.2 11 42 A T - 0 0 114 -2,-0.6 64,-0.1 1,-0.1 60,-0.0 -0.594 24.8-118.7 -74.8 122.1 41.9 23.6 23.5 12 43 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 63,-0.0 -0.302 25.1-132.4 -58.4 139.1 42.2 23.7 19.7 13 44 A N > - 0 0 64 1,-0.1 3,-2.5 145,-0.1 62,-0.0 -0.883 2.9-140.0-101.1 124.5 38.9 24.7 18.0 14 45 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.671 100.6 57.5 -60.3 -15.4 37.8 22.5 15.0 15 46 A A T 3 S+ 0 0 77 2,-0.1 3,-0.0 0, 0.0 0, 0.0 0.365 77.6 108.2 -98.1 6.7 36.6 25.6 13.2 16 47 A W S < S- 0 0 13 -3,-2.5 147,-0.1 1,-0.1 146,-0.1 -0.702 78.0-111.4 -79.0 133.3 39.9 27.4 13.2 17 48 A P - 0 0 35 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.331 19.8-126.8 -60.2 140.7 41.5 27.4 9.7 18 49 A Q - 0 0 148 60,-0.0 60,-0.2 151,-0.0 2,-0.1 -0.861 42.9-170.4 -80.4 118.3 44.6 25.4 9.2 19 50 A V - 0 0 16 58,-2.8 60,-0.3 -2,-0.6 146,-0.0 -0.447 34.5-157.4-110.1 179.8 46.9 28.0 7.7 20 51 A S + 0 0 114 -2,-0.1 2,-0.1 58,-0.1 58,-0.1 0.315 61.7 101.4-141.3 4.4 50.4 28.1 6.1 21 52 A W S S- 0 0 14 65,-0.0 59,-0.5 1,-0.0 2,-0.4 -0.258 73.4-111.4 -74.8 177.2 51.5 31.7 6.7 22 53 A Q E -c 80 0B 58 57,-0.1 66,-2.7 -2,-0.1 65,-0.7 -0.943 23.4-146.6-127.5 139.5 53.9 32.4 9.5 23 54 A L E -cd 81 88B 2 57,-3.3 59,-2.3 -2,-0.4 2,-0.6 -0.903 9.5-166.1-119.0 127.1 53.4 34.2 12.7 24 55 A L E -cd 82 89B 37 64,-2.5 66,-3.0 -2,-0.5 2,-0.8 -0.947 14.1-154.5-104.1 120.8 55.6 36.4 14.8 25 56 A V E - d 0 90B 0 57,-3.1 66,-0.2 -2,-0.6 64,-0.1 -0.859 16.9-147.8 -94.5 112.4 54.3 37.0 18.3 26 57 A A - 0 0 12 64,-2.3 66,-0.1 -2,-0.8 58,-0.0 -0.163 28.6 -86.9 -67.1 166.2 55.7 40.3 19.6 27 58 A K - 0 0 154 64,-0.1 -1,-0.1 1,-0.1 35,-0.1 -0.665 51.4-116.2 -67.4 128.1 56.5 41.1 23.3 28 59 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 65,-0.2 -0.362 29.2-136.7 -60.6 147.7 53.2 42.4 24.8 29 60 A S B +e 93 0B 62 63,-2.2 65,-3.2 -3,-0.0 2,-0.3 -0.806 34.8 144.8-111.4 156.3 53.5 46.0 25.9 30 61 A A - 0 0 30 -2,-0.3 65,-0.1 63,-0.2 66,-0.0 -0.946 50.5 -75.4-177.4 154.6 52.2 47.4 29.2 31 62 A A >> - 0 0 61 63,-0.5 4,-2.1 -2,-0.3 3,-1.9 -0.333 51.8-109.4 -59.1 147.0 52.7 49.9 32.1 32 63 A R T 34 S+ 0 0 230 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.767 117.6 63.7 -49.6 -33.1 55.4 48.8 34.6 33 64 A I T 34 S+ 0 0 91 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.807 110.2 36.8 -63.9 -32.6 52.7 48.1 37.2 34 65 A I T <4 S+ 0 0 10 -3,-1.9 2,-0.8 1,-0.2 26,-0.8 0.834 111.0 62.6 -83.7 -38.1 51.2 45.3 35.0 35 66 A D S < S+ 0 0 65 -4,-2.1 -1,-0.2 25,-0.2 -2,-0.1 -0.182 87.5 93.3 -86.9 38.8 54.6 44.2 33.8 36 67 A S S S- 0 0 20 -2,-0.8 24,-1.3 -3,-0.4 25,-0.1 -0.777 86.5-116.4-116.9 164.9 55.8 43.2 37.2 37 68 A P S S+ 0 0 70 0, 0.0 19,-3.8 0, 0.0 2,-0.1 0.473 87.2 106.2 -74.5 2.3 55.6 39.8 38.9 38 69 A R S S- 0 0 160 17,-0.2 2,-0.7 -5,-0.1 -2,-0.3 -0.407 74.2-121.5 -83.4 159.9 53.3 41.6 41.4 39 70 A I - 0 0 4 15,-0.5 12,-2.1 12,-0.3 2,-0.1 -0.892 23.8-141.0-108.6 113.5 49.6 41.0 41.5 40 71 A N E -Fg 50 98B 4 -2,-0.7 59,-2.9 57,-0.6 2,-0.3 -0.409 19.0-177.7 -74.1 145.6 47.4 44.0 41.0 41 72 A V E -Fg 49 99B 10 8,-1.9 8,-3.1 57,-0.2 59,-0.2 -0.994 18.0-157.6-142.9 135.5 44.2 44.5 42.9 42 73 A R E + g 0 100B 50 57,-2.7 59,-1.7 -2,-0.3 60,-0.4 -0.852 14.7 175.1-111.6 87.3 41.6 47.4 42.6 43 74 A P S S+ 0 0 42 0, 0.0 60,-0.2 0, 0.0 -1,-0.1 0.811 75.9 19.5 -69.2 -27.2 39.8 47.3 45.9 44 75 A T S > S- 0 0 78 3,-0.4 3,-2.0 -3,-0.1 -3,-0.0 -0.979 95.4-100.7-137.6 158.2 37.9 50.5 44.9 45 76 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.0 0, 0.0 57,-0.0 0.707 114.0 40.6 -56.0 -39.0 37.3 51.9 41.5 46 77 A G T 3 S+ 0 0 83 -3,-0.0 2,-0.3 2,-0.0 -4,-0.0 0.267 107.7 78.0 -87.7 16.8 39.9 54.7 41.2 47 78 A E < - 0 0 96 -3,-2.0 -3,-0.4 2,-0.0 2,-0.4 -0.960 53.9-158.3-143.5 134.7 42.7 52.8 43.0 48 79 A L + 0 0 62 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.939 18.0 162.3-115.7 133.8 45.4 50.1 42.6 49 80 A Q E -F 41 0B 94 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.4 -0.661 30.8-123.6-123.2-176.7 47.2 48.1 45.4 50 81 A V E -F 40 0B 36 -10,-0.2 -10,-0.2 -2,-0.2 2,-0.2 -0.982 29.2-106.4-128.1 145.0 49.2 44.8 45.2 51 82 A Y > - 0 0 31 -12,-2.1 3,-0.8 -2,-0.4 -12,-0.3 -0.535 40.0-127.6 -65.1 133.9 48.4 41.7 47.2 52 83 A H T 3 S+ 0 0 170 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.673 86.6 12.4 -83.9 139.9 51.0 41.4 49.9 53 84 A G T 3 S+ 0 0 46 -2,-0.3 -51,-2.6 1,-0.2 2,-0.3 0.726 110.2 94.2 69.8 21.6 53.0 38.2 50.2 54 85 A A E < +a 2 0A 11 -3,-0.8 -15,-0.5 -53,-0.2 2,-0.3 -0.990 44.7 156.3-136.6 144.4 51.7 36.9 46.8 55 86 A G E -a 3 0A 9 -53,-1.9 -51,-3.1 -2,-0.3 2,-0.3 -0.973 38.1 -98.2-155.8 173.4 53.3 37.2 43.3 56 87 A W E -a 4 0A 5 -19,-3.8 -51,-0.2 -2,-0.3 4,-0.0 -0.758 23.3-130.5 -94.6 139.4 53.5 35.7 39.8 57 88 A A S S+ 0 0 25 -53,-2.5 150,-0.2 -2,-0.3 -52,-0.1 0.823 98.8 18.6 -51.0 -37.5 56.2 33.2 38.6 58 89 A Q S S- 0 0 34 -22,-0.1 -22,-0.1 -21,-0.1 5,-0.1 -0.918 102.0 -87.9-126.1 159.5 56.7 35.4 35.5 59 90 A P >> - 0 0 35 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.331 47.5-107.7 -62.4 157.5 55.7 39.0 34.9 60 91 A A H 3> S+ 0 0 0 -24,-1.3 4,-2.1 -26,-0.8 -25,-0.2 0.851 117.9 53.1 -65.5 -40.6 52.1 39.2 33.5 61 92 A T H 3> S+ 0 0 3 1,-0.2 4,-3.0 -27,-0.2 -1,-0.3 0.846 110.1 49.9 -58.0 -37.5 53.1 40.1 30.0 62 93 A D H <> S+ 0 0 49 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.823 107.4 52.0 -73.3 -33.0 55.4 37.1 29.9 63 94 A M H X S+ 0 0 12 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.895 115.5 45.3 -63.8 -39.7 52.6 34.7 31.2 64 95 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 111.4 49.9 -70.0 -47.6 50.6 36.2 28.3 65 96 A E H X S+ 0 0 17 -4,-3.0 4,-1.7 1,-0.2 5,-0.3 0.904 114.7 45.7 -55.6 -41.2 53.4 35.9 25.8 66 97 A D H X S+ 0 0 13 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.859 111.6 50.7 -73.9 -31.2 53.9 32.3 26.8 67 98 A S H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.928 112.1 47.1 -68.7 -42.7 50.2 31.4 26.8 68 99 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 116.3 41.5 -64.9 -53.3 49.7 32.8 23.4 69 100 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.912 116.0 50.0 -64.3 -46.2 52.7 31.2 21.7 70 101 A R H X S+ 0 0 40 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.919 109.4 51.9 -59.8 -40.7 52.1 27.9 23.4 71 102 A A H < S+ 0 0 3 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.883 110.3 48.0 -68.0 -34.0 48.5 27.9 22.4 72 103 A F H >X S+ 0 0 0 -4,-2.2 3,-1.0 2,-0.2 4,-0.5 0.930 113.9 49.1 -61.0 -45.0 49.5 28.5 18.7 73 104 A E H >< S+ 0 0 27 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.953 114.1 43.9 -60.1 -49.1 52.0 25.7 19.1 74 105 A D T 3< S+ 0 0 52 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.382 96.9 79.1 -79.4 2.1 49.5 23.3 20.6 75 106 A S T <4 S- 0 0 8 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.825 81.9-141.7 -84.2 -28.8 46.7 24.1 18.2 76 107 A G S << S+ 0 0 50 -3,-0.8 3,-0.1 -4,-0.5 -2,-0.1 0.366 79.9 98.7 79.8 -1.7 47.8 22.1 15.1 77 108 A K S S+ 0 0 40 -5,-0.3 -58,-2.8 1,-0.2 2,-0.4 0.679 80.7 36.2 -93.1 -16.4 46.6 25.0 13.0 78 109 A I - 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