==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ADHESIN 02-DEC-03 1UT2 . COMPND 2 MOLECULE: AFIMBRIAL ADHESIN AFA-III; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.L.ANDERSON,J.BILLINGTON,D.PETTIGREW,E.COTA,P.ROVERSI, . 1251 10 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 523 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 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 . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 203 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 . 7 5 3 6 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 10 10 26 9 18 0 0 0 0 9 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 0 0 0 0 0 0 6 3 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 0 A G 0 0 82 0, 0.0 2,-0.3 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 133.7 58.6 45.3 8.6 2 1 A S - 0 0 81 137,-2.7 137,-1.4 2,-0.0 2,-0.5 -0.985 360.0-119.8-135.4 145.4 55.3 47.1 8.0 3 2 A F E -A 138 0A 37 -2,-0.3 135,-0.2 135,-0.2 57,-0.0 -0.732 20.9-155.4 -89.1 130.7 53.3 49.5 10.2 4 3 A T E -A 137 0A 44 133,-3.0 133,-1.7 -2,-0.5 2,-0.4 -0.912 17.5-130.0-107.7 114.7 49.7 48.4 11.0 5 4 A P E +A 136 0A 80 0, 0.0 131,-0.3 0, 0.0 153,-0.2 -0.474 48.5 143.2 -65.0 118.5 47.4 51.2 11.9 6 5 A S E + 0 0 1 129,-1.6 156,-2.4 -2,-0.4 2,-0.3 -0.416 48.7 37.6-158.9 72.7 45.6 50.3 15.2 7 6 A G E S-b 162 0A 11 154,-0.3 156,-0.3 128,-0.3 2,-0.2 -0.975 86.2 -55.3 170.4-170.6 45.0 53.3 17.4 8 7 A T E -b 163 0A 3 154,-0.7 127,-2.1 -2,-0.3 156,-0.8 -0.492 46.5-114.8 -92.8 164.4 44.0 57.0 17.5 9 8 A T E -A 134 0A 64 125,-0.2 125,-0.3 -2,-0.2 2,-0.2 -0.886 29.4-166.3-104.7 122.6 45.7 59.9 15.7 10 9 A G E -A 133 0A 5 123,-3.2 123,-2.7 -2,-0.6 2,-0.4 -0.666 3.2-153.6-103.0 160.4 47.4 62.6 17.8 11 10 A T E -A 132 0A 64 -2,-0.2 2,-0.7 121,-0.2 121,-0.2 -0.993 10.5-155.5-141.2 133.8 48.6 66.0 16.7 12 11 A T E -A 131 0A 8 119,-2.4 119,-1.0 -2,-0.4 2,-0.5 -0.910 20.6-172.8-107.5 107.5 51.3 68.4 17.9 13 12 A K E -A 130 0A 137 -2,-0.7 16,-0.5 117,-0.2 2,-0.4 -0.889 4.7-179.9-106.5 127.6 50.4 72.0 16.9 14 13 A L E -Ac 129 29A 1 115,-2.6 115,-2.8 -2,-0.5 2,-0.7 -0.982 17.3-151.7-127.7 137.0 52.8 74.9 17.3 15 14 A T E -Ac 128 30A 10 14,-2.7 16,-1.7 -2,-0.4 113,-0.2 -0.850 13.7-157.8-111.1 97.7 52.3 78.5 16.5 16 15 A V E +Ac 127 31A 2 111,-1.2 111,-1.5 -2,-0.7 2,-0.3 -0.491 22.7 167.9 -72.4 139.3 55.6 80.3 15.7 17 16 A T E - c 0 32A 0 14,-2.0 16,-2.0 109,-0.2 17,-0.3 -0.874 36.2 -90.7-143.6 176.3 55.5 84.0 16.1 18 17 A E - 0 0 40 2,-0.4 -1,-0.0 -2,-0.3 268,-0.0 -0.318 57.2 -87.8 -82.9 172.1 57.6 87.2 16.3 19 18 A E S S+ 0 0 124 1,-0.2 2,-1.3 -2,-0.1 13,-0.1 0.837 124.8 66.8 -51.6 -32.5 59.0 88.4 19.6 20 19 A a S S- 0 0 2 312,-0.1 2,-0.6 309,-0.1 -2,-0.4 -0.723 77.8-178.5 -92.1 88.5 55.7 90.4 19.9 21 20 A Q E -M 330 0B 8 309,-1.9 309,-2.5 -2,-1.3 2,-0.8 -0.820 15.0-166.0 -98.0 119.4 53.3 87.5 20.3 22 21 A V E -Mn 329 287B 0 264,-2.5 2,-1.0 -2,-0.6 266,-0.7 -0.844 8.2-157.9-105.5 98.4 49.5 88.2 20.5 23 22 A R E -Mn 328 288B 21 305,-2.7 305,-2.1 -2,-0.8 2,-0.3 -0.645 16.2-174.3 -79.7 103.1 47.7 85.1 21.7 24 23 A V E -M 327 0B 0 -2,-1.0 303,-0.2 264,-0.6 391,-0.1 -0.677 47.0 -10.3 -98.1 152.6 44.1 85.4 20.6 25 24 A G S S+ 0 0 13 301,-1.1 265,-0.1 -2,-0.3 263,-0.1 -0.211 116.0 8.6 63.0-152.6 41.2 83.1 21.5 26 25 A D S S- 0 0 141 263,-0.1 2,-0.4 265,-0.1 262,-0.1 0.060 87.4 -98.8 -51.1 167.4 41.9 79.7 23.2 27 26 A L + 0 0 56 924,-0.1 2,-0.2 -4,-0.0 -1,-0.1 -0.793 48.4 158.7-100.5 136.2 45.4 78.9 24.4 28 27 A T - 0 0 57 -2,-0.4 2,-0.8 -13,-0.1 924,-0.1 -0.793 52.7 -62.8-139.5-179.0 47.9 76.8 22.4 29 28 A V E +c 14 0A 36 -16,-0.5 -14,-2.7 -2,-0.2 2,-0.4 -0.613 58.6 179.9 -74.3 110.0 51.6 76.1 22.2 30 29 A A E +c 15 0A 3 -2,-0.8 2,-0.3 -16,-0.2 -14,-0.2 -0.951 6.6 170.0-117.8 134.3 53.1 79.5 21.1 31 30 A K E -c 16 0A 8 -16,-1.7 -14,-2.0 -2,-0.4 2,-0.1 -0.997 28.2-129.4-144.8 136.8 56.8 80.1 20.5 32 31 A T E >> -c 17 0A 3 -2,-0.3 3,-1.5 -16,-0.3 4,-0.5 -0.496 33.3-111.6 -80.3 153.5 58.8 83.0 18.9 33 32 A R G >4 S+ 0 0 91 -16,-2.0 3,-1.4 1,-0.3 91,-0.2 0.844 118.9 64.0 -52.7 -33.1 61.3 82.1 16.2 34 33 A G G 34 S+ 0 0 38 -17,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.845 97.5 53.5 -59.5 -37.0 63.9 83.1 18.8 35 34 A Q G <4 S+ 0 0 50 -3,-1.5 2,-1.6 1,-0.2 -1,-0.3 0.567 81.9 95.6 -76.3 -8.4 62.9 80.3 21.1 36 35 A L << + 0 0 0 -3,-1.4 85,-2.6 -4,-0.5 -1,-0.2 -0.141 56.9 142.1 -77.8 44.2 63.4 77.8 18.2 37 36 A T > - 0 0 66 -2,-1.6 3,-1.5 83,-0.2 80,-0.2 -0.258 62.9 -71.2 -77.8 170.8 66.9 77.0 19.3 38 37 A D T 3 S+ 0 0 76 1,-0.3 80,-0.2 80,-0.1 -1,-0.2 -0.343 120.6 13.1 -65.2 143.1 68.4 73.5 19.1 39 38 A A T 3 S+ 0 0 53 78,-2.6 -1,-0.3 1,-0.3 79,-0.1 0.389 88.6 156.3 72.6 -5.7 67.0 70.9 21.6 40 39 A A < - 0 0 7 -3,-1.5 77,-3.4 77,-0.2 2,-0.4 -0.326 43.0-126.0 -55.2 124.6 64.2 73.4 22.2 41 40 A P E -D 116 0A 64 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 -0.625 29.8-179.6 -80.8 129.1 61.2 71.5 23.5 42 41 A I E - 0 0 4 73,-3.4 74,-0.1 -2,-0.4 -12,-0.1 0.527 51.2 -40.7 -90.4-119.4 57.9 71.9 21.7 43 42 A G E - 0 0 9 -14,-0.1 72,-1.6 71,-0.0 -1,-0.4 -0.164 56.9-120.7 -96.9-166.0 54.9 70.0 23.0 44 43 A P E -D 114 0A 66 0, 0.0 2,-0.5 0, 0.0 70,-0.2 -0.989 13.1-138.5-140.9 143.0 54.6 66.4 24.2 45 44 A V E -D 113 0A 7 68,-2.7 68,-2.8 -2,-0.3 2,-0.5 -0.929 12.1-142.9-110.1 126.3 52.5 63.5 22.9 46 45 A T E -D 112 0A 48 -2,-0.5 119,-3.1 66,-0.2 2,-0.4 -0.746 21.3-173.6 -88.7 122.8 50.7 61.2 25.2 47 46 A V E +DE 111 164A 4 64,-2.5 64,-1.1 -2,-0.5 2,-0.3 -0.937 10.5 176.1-119.6 140.9 50.7 57.5 24.1 48 47 A Q E -DE 110 163A 45 115,-1.2 115,-2.5 -2,-0.4 2,-0.3 -0.923 9.8-163.3-146.0 115.5 48.8 54.6 25.7 49 48 A A E - E 0 162A 0 60,-1.7 2,-0.4 -2,-0.3 113,-0.2 -0.758 2.4-165.4-100.7 145.8 48.8 51.1 24.2 50 49 A L E S+ E 0 161A 14 111,-2.1 111,-0.9 -2,-0.3 980,-0.1 -0.998 70.2 3.1-132.5 130.4 46.3 48.3 25.2 51 50 A G S S+ 0 0 34 -2,-0.4 -1,-0.2 109,-0.2 3,-0.1 0.915 87.3 123.9 64.5 45.1 46.6 44.6 24.4 52 51 A b + 0 0 1 -3,-0.1 55,-1.7 1,-0.1 3,-0.5 -0.242 20.5 121.8-128.5 44.3 50.0 45.0 22.7 53 52 A N S S+ 0 0 68 54,-0.2 -1,-0.1 1,-0.2 53,-0.1 0.558 84.0 38.6 -83.1 -9.9 52.1 42.5 24.8 54 53 A A S S+ 0 0 86 -3,-0.1 2,-0.3 52,-0.1 -1,-0.2 0.191 112.7 67.1-122.0 12.3 53.0 40.5 21.8 55 54 A R S S- 0 0 109 -3,-0.5 52,-1.6 50,-0.1 2,-0.8 -0.918 82.3-110.3-133.7 158.6 53.5 43.4 19.4 56 55 A Q E -F 138 0A 43 82,-1.0 82,-2.4 -2,-0.3 50,-0.2 -0.799 35.7-128.7 -92.9 111.7 55.9 46.4 19.0 57 56 A V E +F 137 0A 0 -2,-0.8 46,-3.5 50,-0.4 2,-0.3 -0.280 37.3 178.4 -56.4 137.9 54.2 49.7 19.7 58 57 A A E -FG 136 102A 0 78,-2.9 78,-1.0 44,-0.3 2,-0.4 -0.988 26.2-146.9-146.8 155.9 54.7 52.2 16.9 59 58 A L E -FG 135 101A 1 42,-1.5 42,-3.0 -2,-0.3 2,-0.5 -0.980 13.0-157.8-124.4 133.0 53.8 55.7 15.8 60 59 A K E -FG 134 100A 58 74,-2.3 74,-2.5 -2,-0.4 40,-0.2 -0.949 7.4-149.5-117.2 123.3 53.3 56.7 12.2 61 60 A A E -F 133 0A 0 38,-2.6 72,-0.2 -2,-0.5 4,-0.1 -0.576 32.0 -93.8 -87.9 150.0 53.6 60.3 11.0 62 61 A D > - 0 0 61 70,-1.4 3,-2.3 -2,-0.2 4,-0.3 -0.178 39.8-107.3 -56.5 153.8 51.7 61.8 8.1 63 62 A T G > S+ 0 0 116 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.767 122.4 54.8 -55.9 -26.3 53.5 61.7 4.7 64 63 A D G 3 S+ 0 0 62 1,-0.2 -1,-0.3 10,-0.0 -2,-0.1 0.121 100.1 62.2 -94.9 20.6 53.9 65.4 5.0 65 64 A N G < S+ 0 0 2 -3,-2.3 7,-2.4 1,-0.2 2,-0.3 0.327 104.1 39.1-125.1 3.8 55.6 65.1 8.4 66 65 A F B < +H 71 0A 27 -3,-0.6 2,-0.2 -4,-0.3 5,-0.2 -0.995 50.4 168.5-154.0 152.2 58.7 63.0 7.5 67 66 A E 0 0 89 3,-2.0 -3,-0.0 -2,-0.3 -4,-0.0 -0.771 360.0 360.0-168.9 117.8 61.2 62.7 4.8 68 67 A Q 0 0 188 -2,-0.2 3,-0.1 0, 0.0 30,-0.0 0.607 360.0 360.0 61.5 360.0 64.5 60.8 4.6 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 69 A K 0 0 113 0, 0.0 -3,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.2 63.7 63.0 9.5 71 70 A F E +HI 66 84A 13 13,-0.6 13,-1.8 -5,-0.2 2,-0.3 -0.696 360.0 161.1 -95.9 148.8 60.6 64.2 11.3 72 71 A F E - I 0 83A 6 -7,-2.4 2,-0.3 11,-0.3 11,-0.3 -0.975 38.9-111.7-164.8 150.4 59.3 67.7 11.1 73 72 A L E - I 0 82A 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.4 -0.648 36.0-136.2 -84.8 141.5 56.2 69.9 11.6 74 73 A I E -JI 130 81A 19 56,-2.5 56,-1.5 -2,-0.3 7,-0.2 -0.831 11.0-123.1-105.4 139.7 54.5 71.2 8.5 75 74 A S E > -J 129 0A 5 5,-2.8 3,-2.9 -2,-0.4 54,-0.2 -0.340 31.2-107.2 -72.9 156.8 53.3 74.8 7.9 76 75 A D T 3 S+ 0 0 106 52,-0.9 -1,-0.1 1,-0.3 53,-0.1 0.684 122.3 60.4 -57.4 -19.5 49.6 75.4 6.9 77 76 A N T 3 S- 0 0 53 51,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.507 110.6-123.8 -86.0 -4.3 50.9 76.2 3.5 78 77 A N S < S+ 0 0 104 -3,-2.9 -2,-0.1 2,-0.2 3,-0.1 0.747 92.8 87.1 65.9 22.7 52.4 72.7 3.2 79 78 A R + 0 0 170 1,-0.2 -1,-0.1 -4,-0.0 -3,-0.0 0.682 66.0 58.8-111.3 -86.2 55.7 74.5 2.6 80 79 A D - 0 0 44 -6,-0.1 -5,-2.8 1,-0.0 2,-0.4 -0.189 64.9-165.4 -54.6 138.6 57.8 75.6 5.6 81 80 A K E -I 74 0A 64 -7,-0.2 2,-0.6 -3,-0.1 -7,-0.2 -0.982 17.7-150.9-133.0 142.9 58.9 72.8 7.9 82 81 A L E -I 73 0A 0 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.3 -0.931 22.9-138.9-113.1 107.8 60.3 72.7 11.4 83 82 A Y E +I 72 0A 65 -2,-0.6 35,-3.1 -11,-0.3 -11,-0.3 -0.506 30.1 176.3 -70.1 126.3 62.6 69.7 11.9 84 83 A V E -IK 71 117A 2 -13,-1.8 -13,-0.6 -2,-0.3 2,-0.4 -0.853 27.9-125.6-129.5 164.5 62.1 68.0 15.3 85 84 A N E - 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