==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 05-OCT-10 2XT4 . COMPND 2 MOLECULE: MCBG-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS ALBILINEANS; . AUTHOR M.W.VETTING,S.S.HEGDE,J.S.BLANCHARD . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 83.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 62 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 35 3 12 0 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 0 0 1 2 0 0 0 2 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 9 A K 0 0 91 0, 0.0 21,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 8.4 12.1 6.9 -16.9 2 10 A D E -a 22 0A 95 19,-0.2 2,-0.4 2,-0.0 21,-0.2 -0.982 360.0-166.0-120.2 139.6 13.9 9.4 -14.7 3 11 A Y E +a 23 0A 92 19,-2.7 21,-3.3 -2,-0.4 2,-0.4 -0.972 9.5 176.4-134.9 122.9 12.3 12.8 -13.9 4 12 A C E -a 24 0A 82 -2,-0.4 21,-0.2 19,-0.2 22,-0.1 -0.963 65.9 -4.5-123.5 136.6 13.9 15.9 -12.4 5 13 A G S S+ 0 0 43 19,-1.9 2,-0.3 -2,-0.4 21,-0.2 0.832 86.0 143.8 58.4 42.0 12.3 19.3 -11.7 6 14 A E - 0 0 94 18,-0.3 21,-2.9 -3,-0.1 2,-0.5 -0.781 42.3-146.8-109.4 154.0 8.9 18.7 -13.3 7 15 A S E -b 27 0A 85 -2,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.988 15.4-161.7-116.3 122.4 5.4 19.9 -12.3 8 16 A F E -b 28 0A 37 19,-3.6 21,-3.0 -2,-0.5 2,-0.4 -0.923 8.4-169.2-107.3 128.9 2.6 17.4 -13.0 9 17 A V E -b 29 0A 84 -2,-0.5 21,-0.2 19,-0.2 22,-0.1 -0.973 61.0 -18.0-129.3 128.9 -0.9 18.8 -13.1 10 18 A S S S+ 0 0 77 19,-2.9 2,-0.3 -2,-0.4 21,-0.2 0.770 81.5 161.7 44.3 39.8 -4.2 16.9 -13.2 11 19 A E - 0 0 76 18,-0.4 21,-2.5 -3,-0.0 2,-0.6 -0.674 28.1-148.4 -80.7 139.3 -2.6 13.7 -14.4 12 20 A D B +l 32 0B 82 -2,-0.3 21,-0.2 19,-0.2 19,-0.1 -0.940 34.5 151.2-112.2 116.0 -4.6 10.5 -14.0 13 21 A R > + 0 0 91 19,-3.4 3,-1.8 -2,-0.6 20,-0.1 0.024 22.0 159.8-125.4 26.6 -2.8 7.2 -13.3 14 22 A S T 3 S+ 0 0 44 18,-0.3 21,-0.2 1,-0.3 20,-0.1 -0.210 70.5 1.7 -52.7 132.3 -5.5 5.4 -11.3 15 23 A G T 3 S+ 0 0 56 19,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.656 102.7 128.1 69.7 17.4 -5.2 1.7 -11.2 16 24 A Q < - 0 0 89 -3,-1.8 21,-3.4 18,-0.2 2,-0.5 -0.726 56.3-125.5-108.9 156.8 -2.0 1.7 -13.3 17 25 A S E -s 37 0C 77 -2,-0.3 2,-0.4 19,-0.2 21,-0.2 -0.862 20.1-168.0-102.6 128.7 1.4 0.1 -12.6 18 26 A L E -s 38 0C 30 19,-3.1 21,-1.4 -2,-0.5 2,-0.5 -0.960 11.5-148.5-119.1 139.8 4.5 2.2 -12.8 19 27 A E E -s 39 0C 101 -2,-0.4 21,-0.2 1,-0.2 19,-0.1 -0.904 57.3 -31.7-124.5 112.7 7.8 0.5 -12.8 20 28 A S S S+ 0 0 33 19,-3.2 2,-0.5 -2,-0.5 21,-0.2 0.953 80.0 163.5 51.2 58.2 11.2 1.6 -11.4 21 29 A I - 0 0 25 18,-0.3 21,-3.0 -3,-0.1 2,-0.5 -0.936 25.5-153.1-113.6 133.2 10.6 5.4 -11.9 22 30 A R E -ac 2 42A 135 -21,-1.5 -19,-2.7 -2,-0.5 2,-0.5 -0.907 9.4-171.5-109.8 123.3 12.7 8.0 -10.1 23 31 A F E +ac 3 43A 23 19,-3.6 21,-3.0 -2,-0.5 2,-0.4 -0.959 6.4 175.1-113.9 133.1 11.3 11.4 -9.3 24 32 A E E -ac 4 44A 102 -21,-3.3 -19,-1.9 -2,-0.5 -18,-0.3 -0.999 69.0 -3.0-132.5 132.2 13.5 14.2 -8.0 25 33 A D S S+ 0 0 96 19,-2.4 2,-0.3 -2,-0.4 21,-0.2 0.878 92.5 149.6 65.4 40.9 12.4 17.7 -7.4 26 34 A C - 0 0 1 18,-0.4 21,-2.5 -21,-0.2 2,-0.4 -0.868 37.4-148.7-118.1 142.1 8.8 17.2 -8.8 27 35 A T E -bd 7 47A 38 -21,-2.9 -19,-3.6 -2,-0.3 2,-0.5 -0.871 6.8-162.2-105.8 138.8 5.5 18.7 -8.0 28 36 A F E -bd 8 48A 4 19,-2.9 21,-3.0 -2,-0.4 2,-0.5 -0.980 10.0-177.5-122.8 119.0 2.1 16.9 -8.3 29 37 A R E -bd 9 49A 108 -21,-3.0 -19,-2.9 -2,-0.5 -18,-0.4 -0.974 67.3 -20.2-120.4 123.8 -1.1 18.9 -8.4 30 38 A Q S S+ 0 0 111 19,-1.8 2,-0.4 -2,-0.5 21,-0.2 0.853 88.4 159.3 49.7 43.9 -4.5 17.4 -8.5 31 39 A C - 0 0 3 18,-0.3 21,-2.1 -21,-0.2 2,-0.6 -0.802 35.9-138.2 -98.2 137.7 -3.2 14.1 -9.7 32 40 A N B +lm 12 52B 53 -21,-2.5 -19,-3.4 -2,-0.4 -18,-0.3 -0.874 34.8 155.5 -98.1 117.0 -5.2 10.9 -9.4 33 41 A F > + 0 0 21 19,-3.5 3,-2.4 -2,-0.6 -18,-0.2 0.085 17.6 159.6-120.9 20.9 -3.2 7.8 -8.3 34 42 A T T 3 S- 0 0 24 18,-0.3 -19,-2.1 1,-0.3 21,-0.2 -0.228 77.1 -8.7 -47.6 122.9 -6.1 5.8 -6.7 35 43 A E T 3 S+ 0 0 127 19,-2.5 -1,-0.3 -21,-0.2 21,-0.2 0.631 97.0 149.7 64.8 18.1 -5.1 2.2 -6.6 36 44 A A < - 0 0 0 -3,-2.4 21,-2.8 18,-0.2 2,-0.5 -0.290 41.2-131.3 -76.1 167.9 -2.0 2.7 -8.6 37 45 A E E -st 17 57C 69 -21,-3.4 -19,-3.1 19,-0.2 2,-0.5 -0.982 14.6-167.4-125.7 130.5 1.0 0.5 -8.1 38 46 A L E > -s 18 0C 14 19,-3.4 3,-0.8 -2,-0.5 2,-0.5 -0.710 10.6-172.8-116.7 78.4 4.5 1.8 -7.7 39 47 A N E 3 S-s 19 0C 32 -21,-1.4 -19,-3.2 -2,-0.5 -18,-0.3 -0.585 73.8 -18.2 -65.2 116.3 6.9 -1.1 -8.1 40 48 A R T 3 S+ 0 0 169 19,-2.1 -1,-0.2 -2,-0.5 2,-0.2 0.828 94.8 153.3 61.1 37.5 10.4 -0.0 -7.3 41 49 A C < - 0 0 4 -3,-0.8 21,-1.7 18,-0.3 2,-0.4 -0.544 29.5-146.8 -99.8 169.8 9.9 3.7 -7.6 42 50 A K E -ce 22 62A 74 -21,-3.0 -19,-3.6 19,-0.2 2,-0.4 -0.999 9.5-167.9-145.2 137.7 11.8 6.5 -6.0 43 51 A F E +ce 23 63A 7 19,-1.9 21,-2.6 -2,-0.4 2,-0.4 -0.975 7.5 176.4-134.3 119.0 10.9 10.0 -4.8 44 52 A R E S-ce 24 64A 86 -21,-3.0 -19,-2.4 -2,-0.4 -18,-0.4 -0.983 71.2 -15.7-125.4 124.5 13.4 12.6 -3.7 45 53 A E E S+ 0 0 108 19,-2.3 2,-0.3 -2,-0.4 -20,-0.2 0.939 92.5 154.3 50.1 63.1 12.4 16.2 -2.7 46 54 A C E - e 0 66A 6 19,-1.7 21,-2.3 -21,-0.2 2,-0.4 -0.891 33.2-150.2-124.7 148.4 8.9 15.9 -4.1 47 55 A E E -de 27 67A 51 -21,-2.5 -19,-2.9 -2,-0.3 2,-0.5 -0.964 5.7-168.7-124.9 130.5 5.6 17.7 -3.3 48 56 A F E -de 28 68A 3 19,-3.2 21,-3.0 -2,-0.4 2,-0.4 -0.976 9.9-178.7-114.9 128.6 2.0 16.4 -3.6 49 57 A V E -de 29 69A 26 -21,-3.0 -19,-1.8 -2,-0.5 -18,-0.3 -0.994 67.5 -14.7-125.2 129.6 -0.8 18.9 -3.3 50 58 A D S S+ 0 0 81 19,-2.5 2,-0.3 -2,-0.4 21,-0.2 0.880 93.8 144.9 49.3 50.2 -4.5 18.0 -3.5 51 59 A C - 0 0 4 18,-0.3 21,-1.5 -21,-0.2 2,-0.7 -0.884 50.4-127.0-118.9 149.8 -3.8 14.6 -5.0 52 60 A N B +mn 32 72B 49 -21,-2.1 -19,-3.5 -2,-0.3 -18,-0.3 -0.870 36.5 159.1-103.0 112.5 -5.7 11.4 -4.5 53 61 A L > + 0 0 6 19,-3.5 3,-1.6 -2,-0.7 20,-0.2 0.051 20.3 152.9-116.9 24.8 -3.4 8.6 -3.5 54 62 A S T 3 S- 0 0 15 18,-0.3 -19,-2.5 1,-0.3 -18,-0.2 -0.298 71.1 -0.2 -61.1 133.8 -6.0 6.3 -1.9 55 63 A L T 3 S+ 0 0 92 19,-2.9 -1,-0.3 -21,-0.2 20,-0.1 0.697 89.6 163.9 60.0 22.4 -5.3 2.5 -1.9 56 64 A I < - 0 0 11 -3,-1.6 21,-0.6 18,-0.3 2,-0.5 -0.375 31.9-138.5 -64.7 144.8 -2.0 3.2 -3.7 57 65 A S B +t 37 0C 54 -21,-2.8 -19,-3.4 19,-0.1 21,-0.1 -0.944 21.4 179.2-115.0 126.3 0.4 0.3 -3.6 58 66 A I > - 0 0 6 -2,-0.5 3,-1.2 19,-0.4 2,-0.3 -0.486 7.4-178.0-128.1 58.7 4.1 1.1 -3.0 59 67 A P T 3 S- 0 0 35 0, 0.0 -19,-2.1 0, 0.0 -18,-0.3 -0.444 74.9 -11.8 -61.4 120.3 6.1 -2.2 -3.0 60 68 A Q T 3 S+ 0 0 153 -2,-0.3 2,-0.3 1,-0.2 21,-0.1 0.902 102.3 149.5 61.5 42.4 9.8 -1.6 -2.3 61 69 A T < - 0 0 1 -3,-1.2 21,-2.7 -21,-0.2 2,-0.4 -0.783 36.4-139.5-118.5 156.7 9.4 2.1 -2.8 62 70 A S E -ef 42 82A 23 -21,-1.7 -19,-1.9 -2,-0.3 2,-0.4 -0.931 13.3-175.5-128.7 140.3 11.2 5.0 -1.3 63 71 A F E +ef 43 83A 7 19,-2.7 21,-2.5 -2,-0.4 2,-0.4 -0.961 11.1 167.9-134.2 107.0 10.3 8.5 -0.1 64 72 A M E S-ef 44 84A 43 -21,-2.6 -19,-2.3 -2,-0.4 21,-0.2 -0.990 73.7 -6.1-127.0 123.9 12.9 11.0 1.0 65 73 A E E S+ 0 0 92 19,-2.4 -19,-1.7 -2,-0.4 2,-0.4 1.000 88.6 155.1 53.3 72.5 12.0 14.6 1.6 66 74 A V E -ef 46 86A 3 19,-1.1 21,-2.6 18,-0.3 2,-0.5 -1.000 27.7-160.5-131.8 129.3 8.4 14.3 0.3 67 75 A R E -ef 47 87A 103 -21,-2.3 -19,-3.2 -2,-0.4 2,-0.5 -0.943 1.3-165.1-108.7 129.0 5.6 16.6 1.4 68 76 A F E -ef 48 88A 2 19,-3.1 21,-2.7 -2,-0.5 2,-0.4 -0.984 11.1-177.6-111.2 126.6 2.0 15.6 1.0 69 77 A V E -ef 49 89A 5 -21,-3.0 -19,-2.5 -2,-0.5 -18,-0.3 -0.992 65.6 -13.2-128.2 126.5 -0.5 18.5 1.4 70 78 A D S S+ 0 0 60 19,-2.3 2,-0.4 -2,-0.4 21,-0.2 0.889 94.2 151.6 57.5 42.4 -4.3 18.2 1.3 71 79 A C - 0 0 2 18,-0.3 21,-2.2 -21,-0.2 2,-0.7 -0.855 50.3-130.5-111.4 141.7 -4.1 14.7 -0.1 72 80 A K B +no 52 92B 107 -21,-1.5 -19,-3.5 -2,-0.4 -18,-0.3 -0.812 36.6 163.1 -83.4 119.2 -6.4 11.7 0.2 73 81 A M > + 0 0 3 19,-2.5 3,-0.8 -2,-0.7 -19,-0.1 -0.249 11.8 167.2-134.7 49.7 -4.2 8.8 1.3 74 82 A L T 3 - 0 0 50 1,-0.2 -19,-2.9 22,-0.1 -18,-0.3 -0.282 60.6 -3.1 -73.8 145.3 -6.6 6.2 2.6 75 83 A G T 3 S+ 0 0 26 19,-3.0 2,-0.4 1,-0.2 -1,-0.2 0.732 80.7 162.1 52.5 32.2 -5.7 2.6 3.3 76 84 A V < - 0 0 0 -3,-0.8 21,-2.8 18,-0.2 2,-0.9 -0.696 35.5-138.2 -84.8 135.6 -2.1 2.9 2.1 77 85 A N B +u 97 0D 77 -21,-0.6 3,-0.4 -2,-0.4 -19,-0.4 -0.825 28.7 169.2 -96.4 103.4 0.2 0.1 3.3 78 86 A W > + 0 0 4 19,-2.6 3,-0.7 -2,-0.9 20,-0.2 0.470 47.8 105.7 -92.9 -4.6 3.5 1.8 4.2 79 87 A T T 3 S+ 0 0 63 18,-0.4 -1,-0.2 1,-0.3 19,-0.1 0.827 86.3 42.1 -42.1 -42.6 4.9 -1.4 5.9 80 88 A S T 3 S+ 0 0 52 -3,-0.4 -1,-0.3 21,-0.1 -2,-0.1 0.839 93.8 118.3 -74.6 -34.2 7.2 -1.9 3.0 81 89 A A < - 0 0 8 -3,-0.7 2,-0.5 -4,-0.2 -19,-0.2 0.243 58.0-141.9 -51.2 150.3 8.3 1.7 2.5 82 90 A Q E +f 62 0A 129 -21,-2.7 -19,-2.7 19,-0.1 2,-0.4 -0.972 38.6 178.1-100.3 128.2 11.7 3.3 2.7 83 97 A A E +f 63 0A 14 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.985 21.3 162.6-148.1 128.7 11.0 6.7 4.3 84 98 A G E S-f 64 0A 21 -21,-2.5 -19,-2.4 -2,-0.4 -18,-0.3 -0.986 72.3 -4.7-149.1 135.2 12.9 9.8 5.5 85 99 A A E S+ 0 0 51 19,-0.4 -19,-1.1 -2,-0.3 2,-0.4 0.934 79.9 172.8 43.5 60.7 11.7 13.3 6.4 86 100 A L E -f 66 0A 5 -21,-0.2 21,-1.8 -22,-0.1 2,-0.4 -0.787 12.1-166.9 -91.9 135.4 8.2 12.6 5.3 87 101 A S E -fg 67 107A 18 -21,-2.6 -19,-3.1 -2,-0.4 2,-0.4 -0.991 11.3-176.2-129.8 142.0 5.6 15.3 5.9 88 102 A F E +fg 68 108A 1 19,-2.8 21,-2.2 -2,-0.4 2,-0.4 -0.998 7.3 179.6-129.6 121.5 1.8 15.1 5.7 89 103 A E E -fg 69 109A 47 -21,-2.7 -19,-2.3 -2,-0.4 -18,-0.3 -0.991 69.8 -11.8-130.0 123.9 -0.2 18.2 6.3 90 104 A R S S+ 0 0 105 19,-2.4 2,-0.2 -2,-0.4 21,-0.2 0.862 97.0 140.6 58.0 40.4 -4.1 18.3 6.1 91 105 A C - 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