==== 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 CELL INVASION 06-SEP-05 2AXW . COMPND 2 MOLECULE: DRAD INVASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.JEDRZEJCZAK,Z.DAUTER,M.DAUTER,R.PIATEK,B.ZALEWSKA,M.MROZ,K . 268 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 64.6 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 . 127 47.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 3.7 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+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 . 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 . 1 7 0 4 2 4 4 0 1 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 . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 A 0 0 29 0, 0.0 259,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.7 -5.0 36.3 -3.9 2 2 A E E -A 27 0A 71 25,-1.9 25,-2.7 257,-0.2 2,-0.3 -0.999 360.0-147.3-149.3 140.7 -6.5 39.1 -1.8 3 3 A L E -A 26 0A 9 257,-0.4 2,-0.3 -2,-0.3 23,-0.2 -0.806 8.8-172.1-105.1 151.6 -5.8 40.7 1.6 4 4 A H E -A 25 0A 59 21,-2.2 21,-2.1 -2,-0.3 2,-0.3 -0.986 4.4-173.1-135.0 146.2 -8.2 42.3 4.1 5 5 A L E -A 24 0A 31 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.998 5.8-168.5-139.4 143.1 -7.3 44.2 7.3 6 6 A E E -A 23 0A 126 17,-2.5 17,-2.6 -2,-0.3 2,-0.1 -0.968 29.5-112.0-130.2 140.7 -9.4 45.6 10.1 7 7 A S E -A 22 0A 51 -2,-0.4 2,-0.3 15,-0.2 15,-0.3 -0.384 33.9-177.3 -79.3 152.2 -8.1 47.9 12.8 8 8 A R - 0 0 91 13,-2.0 11,-0.0 1,-0.1 -1,-0.0 -0.975 49.0 -1.7-143.6 152.0 -7.7 46.9 16.4 9 9 A G + 0 0 49 -2,-0.3 -1,-0.1 1,-0.1 257,-0.0 0.787 55.6 156.0 33.3 83.6 -6.7 48.6 19.7 10 10 A G + 0 0 22 -3,-0.1 259,-1.4 258,-0.1 -1,-0.1 -0.057 24.8 137.3-120.0 29.8 -5.5 52.2 19.1 11 11 A S - 0 0 59 257,-0.2 2,-2.2 1,-0.1 0, 0.0 -0.361 68.2-105.3 -79.1 157.9 -6.1 53.7 22.5 12 12 A G S S+ 0 0 43 257,-0.3 2,-0.3 256,-0.1 -1,-0.1 -0.476 86.8 100.8 -78.9 68.0 -3.7 56.1 24.2 13 13 A T S S- 0 0 80 -2,-2.2 90,-0.3 0, 0.0 2,-0.0 -0.909 85.5 -70.7-140.6 172.4 -2.5 53.4 26.6 14 14 A Q - 0 0 102 -2,-0.3 2,-0.5 88,-0.1 88,-0.2 -0.378 49.6-130.9 -57.3 141.7 0.5 51.1 27.0 15 15 A L B -V 101 0B 9 86,-3.0 86,-2.3 84,-0.1 2,-0.3 -0.842 18.9-139.5 -93.6 130.8 0.4 48.3 24.4 16 16 A R > - 0 0 182 -2,-0.5 3,-2.7 84,-0.2 81,-0.3 -0.632 32.5 -88.2 -85.0 150.0 0.8 44.9 25.8 17 17 A D T 3 S+ 0 0 85 1,-0.3 81,-0.2 -2,-0.3 83,-0.1 -0.308 118.0 20.4 -54.9 132.7 2.9 42.2 24.0 18 18 A G T 3 S+ 0 0 20 79,-2.9 -1,-0.3 1,-0.3 80,-0.1 0.319 85.3 150.9 86.6 -7.3 0.7 40.4 21.6 19 19 A A < - 0 0 27 -3,-2.7 78,-2.7 78,-0.1 2,-0.5 -0.351 50.3-118.0 -58.4 134.3 -1.9 43.2 21.5 20 20 A K E + B 0 96A 98 76,-0.2 76,-0.2 1,-0.2 3,-0.1 -0.587 36.4 172.3 -78.4 120.3 -3.7 43.1 18.1 21 21 A V E S+ 0 0 0 74,-2.9 -13,-2.0 -2,-0.5 2,-0.3 0.649 75.9 2.8 -94.0 -25.4 -3.2 46.3 16.2 22 22 A A E -AB 7 95A 0 73,-1.7 73,-2.7 -15,-0.3 2,-0.4 -0.969 63.1-148.8-152.9 151.2 -4.8 44.9 13.1 23 23 A T E +AB 6 94A 26 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.3 -0.985 26.5 176.9-122.5 135.3 -6.5 41.6 12.2 24 24 A G E -AB 5 93A 3 69,-3.3 69,-2.1 -2,-0.4 2,-0.3 -0.772 19.9-155.5-129.6 171.6 -6.3 40.3 8.7 25 25 A R E -AB 4 92A 81 -21,-2.1 -21,-2.2 67,-0.3 2,-0.4 -0.986 8.5-149.0-146.7 154.7 -7.2 37.6 6.3 26 26 A I E -AB 3 91A 0 65,-2.3 65,-1.8 -2,-0.3 2,-0.4 -0.993 15.4-162.3-124.8 132.6 -5.8 36.3 3.1 27 27 A I E -AB 2 90A 21 -25,-2.7 -25,-1.9 -2,-0.4 2,-0.4 -0.957 2.1-164.4-118.9 135.2 -8.1 34.7 0.5 28 28 A a - 0 0 4 61,-2.8 4,-0.1 -2,-0.4 -2,-0.0 -0.966 12.1-175.1-122.8 139.3 -7.1 32.5 -2.4 29 29 A R + 0 0 203 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.715 67.7 63.2 -99.9 -35.0 -9.3 31.5 -5.5 30 30 A E S S- 0 0 88 1,-0.1 -2,-0.0 59,-0.1 0, 0.0 -0.636 103.3 -79.4 -87.8 156.6 -7.0 29.0 -7.3 31 31 A A + 0 0 81 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.280 65.4 166.9 -52.6 130.8 -5.9 25.7 -6.0 32 32 A H - 0 0 8 55,-0.2 86,-0.2 86,-0.2 3,-0.1 -0.957 42.0-142.8-149.8 162.6 -3.1 26.4 -3.7 33 33 A T S S- 0 0 74 84,-2.7 53,-2.5 -2,-0.3 2,-0.3 0.515 74.1 -29.0-109.9 -11.2 -1.1 24.7 -1.1 34 34 A G E -CD 85 117A 5 83,-0.7 83,-2.7 51,-0.3 2,-0.3 -0.977 58.7 -97.3 176.5-169.9 -0.6 27.5 1.4 35 35 A F E -CD 84 116A 2 49,-2.6 49,-2.1 -2,-0.3 2,-0.3 -0.913 13.9-162.1-136.7 156.3 -0.2 31.1 2.3 36 36 A H E +CD 83 115A 14 79,-2.2 79,-2.5 -2,-0.3 2,-0.3 -0.987 11.7 177.9-144.9 126.7 2.5 33.7 2.9 37 37 A V E +CD 82 114A 0 45,-2.5 45,-2.7 -2,-0.3 2,-0.3 -0.978 10.0 154.9-131.2 146.7 2.0 37.1 4.6 38 38 A W E - D 0 113A 21 75,-2.4 75,-2.5 -2,-0.3 2,-0.4 -0.926 37.4-107.5-153.9 174.4 4.5 39.8 5.4 39 39 A M E - D 0 112A 6 -2,-0.3 2,-1.6 73,-0.2 73,-0.3 -0.940 17.1-137.1-112.3 140.9 5.0 43.5 6.0 40 40 A N S S+ 0 0 73 71,-2.3 2,-0.3 -2,-0.4 71,-0.2 -0.588 75.5 103.1 -88.8 67.5 6.6 45.8 3.5 41 41 A E S S- 0 0 51 -2,-1.6 2,-0.3 69,-0.1 -2,-0.1 -0.908 83.9 -69.2-146.3 164.2 8.4 47.4 6.5 42 42 A R E -E 52 0A 164 10,-0.6 10,-2.2 -2,-0.3 2,-0.3 -0.464 46.9-138.1 -66.1 126.2 11.9 47.4 8.1 43 43 A Q E -E 51 0A 86 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.649 17.0-139.8 -83.1 143.5 12.7 44.1 9.8 44 44 A V > - 0 0 12 6,-2.4 3,-2.1 -2,-0.3 6,-0.2 -0.823 68.1 -2.7-107.5 141.3 14.4 44.2 13.2 45 45 A D T 3 S- 0 0 104 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.763 121.2 -63.2 65.3 27.5 17.2 42.1 14.5 46 46 A G T 3 S+ 0 0 83 -3,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.637 97.0 144.3 70.0 12.4 17.6 39.8 11.5 47 47 A R < - 0 0 130 -3,-2.1 -1,-0.2 3,-0.2 34,-0.1 -0.581 49.2-145.9 -85.0 147.2 14.0 38.5 12.0 48 48 A A S S+ 0 0 14 -2,-0.2 33,-2.6 1,-0.2 -1,-0.1 0.858 96.6 25.3 -69.8 -37.9 11.8 37.6 9.1 49 49 A E S S+ 0 0 17 31,-0.2 17,-1.7 32,-0.1 2,-0.5 0.231 96.7 92.7-123.8 8.3 8.5 38.6 10.8 50 50 A R E + F 0 65A 79 -6,-0.2 -6,-2.4 15,-0.2 2,-0.3 -0.955 54.8 172.4-113.8 126.0 9.4 41.3 13.4 51 51 A Y E -EF 43 64A 1 13,-2.9 13,-2.4 -2,-0.5 2,-0.5 -0.825 33.3-136.1-132.6 159.9 9.2 44.8 12.2 52 52 A V E -EF 42 63A 9 -10,-2.2 -10,-0.6 -2,-0.3 2,-0.3 -0.996 26.4-165.8-118.3 125.1 9.3 48.4 13.1 53 53 A V E - F 0 62A 0 9,-2.8 9,-2.0 -2,-0.5 2,-0.3 -0.718 9.1-132.8-107.2 162.3 6.7 50.6 11.7 54 54 A Q E -GF 109 61A 96 55,-0.6 55,-2.0 -2,-0.3 7,-0.2 -0.810 14.6-109.9-119.3 151.7 6.6 54.4 11.5 55 55 A S E > -G 108 0A 8 5,-2.4 3,-1.9 -2,-0.3 53,-0.3 -0.261 42.7-100.2 -66.3 164.3 4.1 57.2 12.2 56 56 A K T 3 S+ 0 0 126 51,-3.0 52,-0.1 1,-0.3 -1,-0.1 0.828 124.8 50.2 -56.6 -35.8 2.7 59.2 9.4 57 57 A D T 3 S- 0 0 98 50,-0.3 -1,-0.3 1,-0.0 51,-0.1 0.422 109.4-123.7 -85.3 -0.7 5.2 62.0 10.1 58 58 A G S < S+ 0 0 37 -3,-1.9 -2,-0.1 2,-0.1 50,-0.0 0.450 85.9 99.6 79.7 0.4 8.2 59.7 10.2 59 59 A R S S+ 0 0 207 -5,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.509 70.5 55.6-106.8 -2.2 9.3 60.6 13.7 60 60 A H - 0 0 75 44,-0.1 -5,-2.4 -5,-0.0 2,-0.3 -0.961 62.6-148.5-138.1 149.5 7.9 57.8 15.9 61 61 A E E -F 54 0A 108 -2,-0.3 2,-0.3 -7,-0.2 43,-0.3 -0.845 10.2-172.8-119.3 154.3 8.2 54.0 15.9 62 62 A L E -F 53 0A 0 -9,-2.0 -9,-2.8 -2,-0.3 2,-0.5 -0.985 21.7-137.7-141.6 129.4 6.1 51.0 17.0 63 63 A R E +F 52 0A 98 -2,-0.3 35,-2.5 -11,-0.2 2,-0.3 -0.784 34.1 164.7 -91.5 130.3 7.5 47.4 17.0 64 64 A V E -FH 51 97A 0 -13,-2.4 -13,-2.9 -2,-0.5 2,-0.3 -0.867 22.3-154.4-136.0 168.0 5.1 44.8 15.6 65 65 A R E -FH 50 96A 44 31,-2.2 31,-2.8 -2,-0.3 2,-0.4 -0.987 16.7-128.6-140.4 154.8 5.0 41.2 14.4 66 66 A T E + H 0 95A 3 -17,-1.7 2,-0.3 -2,-0.3 29,-0.2 -0.869 52.9 110.2 -96.2 135.4 2.9 39.2 12.0 67 67 A G E + H 0 94A 10 27,-2.3 27,-3.0 -2,-0.4 2,-0.3 -0.945 18.1 145.1-172.7-162.9 1.5 35.9 13.3 68 68 A G > - 0 0 31 3,-0.3 3,-1.7 -2,-0.3 2,-0.1 -0.893 62.1 -7.4 140.8-165.8 -1.4 33.8 14.4 69 69 A D T 3 S- 0 0 133 -2,-0.3 23,-0.1 1,-0.3 3,-0.1 -0.348 128.7 -2.2 -64.4 128.6 -2.7 30.3 14.3 70 70 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.505 95.8 133.3 77.5 1.7 -0.5 28.0 12.1 71 71 A W < - 0 0 22 -3,-1.7 -3,-0.3 13,-0.1 -1,-0.2 -0.776 31.7-174.3 -94.8 132.8 1.9 30.8 11.0 72 72 A S E -I 83 0A 62 11,-2.5 11,-2.5 -2,-0.4 3,-0.1 -0.971 33.3-102.8-122.9 138.4 5.6 30.1 11.1 73 73 A P E -I 82 0A 56 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.296 44.5-107.8 -54.8 139.3 8.4 32.7 10.3 74 74 A V - 0 0 37 7,-2.4 2,-0.1 1,-0.1 -26,-0.1 -0.569 38.7-144.0 -75.2 127.7 9.9 32.1 6.9 75 75 A K + 0 0 187 -2,-0.4 5,-0.1 3,-0.1 -1,-0.1 -0.428 48.8 36.8 -89.1 162.1 13.3 30.6 7.1 76 76 A G S > S- 0 0 62 -2,-0.1 3,-2.1 3,-0.1 -2,-0.0 -0.007 97.1 -26.9 88.5 172.2 16.4 31.1 5.0 77 77 A E T 3 S+ 0 0 189 1,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.296 128.7 11.8 -61.1 137.4 18.0 33.9 3.2 78 78 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -4,-0.0 -2,-0.1 0.457 88.0 160.6 76.0 1.6 15.6 36.7 2.2 79 79 A G < - 0 0 15 -3,-2.1 2,-0.4 -5,-0.1 -1,-0.2 -0.228 16.0-172.7 -58.3 139.8 12.7 35.3 4.3 80 80 A K - 0 0 82 -5,-0.1 -31,-0.2 -31,-0.1 -32,-0.1 -0.993 40.5 -30.4-140.3 142.2 10.0 37.6 5.0 81 81 A G S S- 0 0 0 -33,-2.6 -7,-2.4 -2,-0.4 2,-0.3 -0.255 88.3 -47.9 63.7-144.8 7.0 37.4 7.2 82 82 A V E -CI 37 73A 3 -45,-2.7 -45,-2.5 -9,-0.3 2,-0.3 -0.913 39.9-152.5-130.8 154.4 5.2 34.1 7.9 83 83 A S E -CI 36 72A 47 -11,-2.5 -11,-2.5 -2,-0.3 -47,-0.2 -0.886 7.8-174.1-126.9 159.0 3.9 31.1 6.1 84 84 A R E -C 35 0A 51 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.1 -0.956 21.0-127.9-152.4 132.2 1.1 28.6 6.7 85 85 A P E +C 34 0A 103 0, 0.0 -51,-0.3 0, 0.0 2,-0.2 -0.455 48.2 112.8 -79.1 154.4 0.1 25.5 4.9 86 86 A G - 0 0 15 -53,-2.5 -2,-0.1 -2,-0.1 5,-0.0 -0.509 52.4-141.3 152.2 149.6 -3.5 24.8 3.7 87 87 A Q + 0 0 158 -2,-0.2 -55,-0.2 -54,-0.1 -53,-0.1 0.427 66.5 114.8-101.9 -2.7 -5.7 24.4 0.7 88 88 A E S S- 0 0 90 -55,-0.1 -60,-0.2 1,-0.1 3,-0.1 -0.171 76.6-110.1 -71.5 164.8 -8.7 26.2 2.2 89 89 A E S S+ 0 0 135 1,-0.2 -61,-2.8 -62,-0.1 2,-0.3 0.807 89.6 11.7 -66.7 -36.4 -10.1 29.5 0.8 90 90 A Q E -B 27 0A 75 -63,-0.2 2,-0.3 -65,-0.0 -63,-0.2 -0.999 53.5-173.3-146.1 149.1 -9.0 31.8 3.6 91 91 A V E -B 26 0A 4 -65,-1.8 -65,-2.3 -2,-0.3 2,-0.3 -0.956 21.7-128.6-136.6 158.5 -6.9 32.1 6.7 92 92 A F E +B 25 0A 106 -2,-0.3 2,-0.3 -67,-0.2 -67,-0.3 -0.760 23.9 174.6-108.1 149.0 -6.6 34.8 9.4 93 93 A F E -B 24 0A 0 -69,-2.1 -69,-3.3 -2,-0.3 2,-0.3 -0.951 16.2-139.2-145.0 163.8 -3.5 36.5 10.7 94 94 A D E -BH 23 67A 24 -27,-3.0 -27,-2.3 -2,-0.3 2,-0.5 -0.916 10.4-140.8-125.9 152.3 -2.8 39.4 13.1 95 95 A V E -BH 22 66A 0 -73,-2.7 -74,-2.9 -2,-0.3 -73,-1.7 -0.979 39.5-174.4-104.7 119.1 -0.4 42.3 13.3 96 96 A M E -BH 20 65A 18 -31,-2.8 -31,-2.2 -2,-0.5 -76,-0.2 -0.899 32.7-100.2-122.8 145.8 0.6 42.4 17.0 97 97 A A E - 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