==== 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 1USZ . 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, . 140 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 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 . 1 0.7 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 . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 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 . 0 0 1 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 1 1 2 1 2 0 0 0 0 0 1 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 1 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 0 A G 0 0 51 0, 0.0 2,-0.4 0, 0.0 139,-0.4 0.000 360.0 360.0 360.0 177.7 66.4 55.1 23.0 2 1 A S E -A 139 0A 90 137,-1.6 137,-1.5 138,-0.1 2,-0.3 -0.887 360.0-120.4-115.1 142.2 63.7 55.6 25.6 3 2 A F E -A 138 0A 27 -2,-0.4 135,-0.2 135,-0.2 57,-0.0 -0.591 21.5-144.6 -75.4 138.9 60.5 53.6 26.2 4 3 A T E -A 137 0A 49 133,-3.0 133,-1.4 -2,-0.3 54,-0.1 -0.915 17.0-128.9-107.1 108.3 57.3 55.5 25.9 5 4 A P E +A 136 0A 97 0, 0.0 131,-0.2 0, 0.0 130,-0.1 -0.363 50.6 142.1 -55.4 124.8 54.6 54.3 28.3 6 5 A S E + 0 0 75 129,-1.7 2,-0.3 2,-0.1 -2,-0.1 -0.347 45.5 39.3-169.8 79.7 51.5 53.7 26.3 7 6 A G E S- 0 0 55 128,-0.1 2,-0.1 129,-0.1 42,-0.0 -0.938 83.1 -61.9 161.2-178.8 49.4 50.7 27.3 8 7 A T E - 0 0 127 -2,-0.3 127,-2.7 126,-0.1 2,-0.6 -0.271 49.0-109.1 -85.4 174.7 48.1 48.6 30.2 9 8 A T E -A 134 0A 81 125,-0.2 125,-0.3 -2,-0.1 2,-0.2 -0.929 29.1-166.8-115.1 118.1 50.1 46.7 32.8 10 9 A G E -A 133 0A 29 123,-2.7 123,-3.1 -2,-0.6 2,-0.3 -0.513 5.6-157.5 -94.6 163.4 50.2 42.9 32.8 11 10 A T E -A 132 0A 56 121,-0.2 2,-0.6 -2,-0.2 121,-0.2 -1.000 13.5-152.2-143.9 143.6 51.5 40.8 35.6 12 11 A T E -A 131 0A 6 119,-2.9 119,-1.5 -2,-0.3 2,-0.4 -0.964 21.1-171.3-115.2 113.9 52.9 37.2 36.0 13 12 A K E +A 130 0A 127 -2,-0.6 2,-0.3 117,-0.2 16,-0.3 -0.873 7.3 175.7-106.8 141.3 52.3 35.8 39.5 14 13 A L E -A 129 0A 1 115,-2.7 115,-3.2 -2,-0.4 2,-0.6 -0.964 18.3-151.6-145.9 129.1 53.8 32.6 40.7 15 14 A T E -Ab 128 30A 35 14,-2.5 16,-2.7 -2,-0.3 2,-0.5 -0.892 13.9-151.3-102.9 122.2 53.5 31.1 44.2 16 15 A V E +Ab 127 31A 1 111,-2.8 111,-1.7 -2,-0.6 2,-0.3 -0.859 22.9 174.0 -96.9 125.2 56.5 28.9 45.1 17 16 A T E - b 0 32A 25 14,-3.6 16,-1.3 -2,-0.5 4,-0.1 -0.900 32.1-104.5-128.8 162.2 55.7 26.1 47.5 18 17 A E - 0 0 100 2,-0.3 -1,-0.1 -2,-0.3 13,-0.0 -0.037 55.8 -83.7 -70.8-178.8 57.4 23.0 49.1 19 18 A E S S+ 0 0 152 1,-0.2 2,-1.1 13,-0.1 -1,-0.1 0.903 125.9 60.6 -59.6 -40.1 56.6 19.5 47.9 20 19 A a S S- 0 0 114 2,-0.0 2,-0.5 0, 0.0 -2,-0.3 -0.757 82.9-177.1 -87.8 96.4 53.5 19.4 50.1 21 20 A Q - 0 0 58 -2,-1.1 2,-0.5 -4,-0.1 11,-0.0 -0.892 17.0-160.7-109.3 127.6 51.6 22.3 48.7 22 21 A V - 0 0 113 -2,-0.5 2,-0.9 2,-0.0 -2,-0.0 -0.879 5.2-155.8-106.5 123.0 48.3 23.7 49.9 23 22 A R - 0 0 121 -2,-0.5 2,-0.4 2,-0.0 -2,-0.0 -0.772 14.2-171.7-102.0 98.4 46.1 25.8 47.7 24 23 A V - 0 0 128 -2,-0.9 2,-0.2 2,-0.0 -2,-0.0 -0.709 51.7 -19.7 -89.3 135.3 43.8 28.0 49.7 25 24 A G S S+ 0 0 71 -2,-0.4 -2,-0.0 2,-0.0 2,-0.0 -0.479 113.7 15.4 77.2-146.7 41.1 30.0 48.0 26 25 A D S S- 0 0 153 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 -0.309 85.8 -99.6 -63.1 155.8 41.1 30.9 44.4 27 26 A L + 0 0 138 -4,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.551 49.3 158.3 -82.2 140.0 43.4 29.1 42.0 28 27 A T - 0 0 80 -2,-0.3 2,-0.4 -13,-0.0 -14,-0.1 -0.842 50.3 -67.6-145.8 178.5 46.7 30.6 40.8 29 28 A V + 0 0 60 -16,-0.3 -14,-2.5 -2,-0.3 2,-0.3 -0.637 59.2 170.8 -76.3 123.0 50.0 29.6 39.3 30 29 A A E +b 15 0A 15 -2,-0.4 2,-0.3 -16,-0.2 -14,-0.2 -0.961 10.3 179.9-134.3 152.8 51.9 27.6 41.9 31 30 A K E -b 16 0A 52 -16,-2.7 -14,-3.6 -2,-0.3 2,-0.3 -0.992 26.0-123.3-154.0 145.4 55.1 25.6 41.7 32 31 A T E >> -b 17 0A 3 -2,-0.3 3,-1.9 -16,-0.2 4,-0.6 -0.638 33.9-115.0 -86.7 146.9 57.2 23.5 44.0 33 32 A R G >4 S+ 0 0 76 -16,-1.3 3,-1.6 1,-0.3 91,-0.2 0.890 117.1 64.3 -48.0 -36.7 60.9 24.5 44.3 34 33 A G G 34 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.1 88,-0.1 0.807 98.1 51.8 -56.3 -36.3 61.6 21.2 42.7 35 34 A Q G <4 S+ 0 0 81 -3,-1.9 2,-2.3 1,-0.2 -1,-0.3 0.569 80.9 98.4 -80.3 -10.2 59.8 22.2 39.4 36 35 A L << + 0 0 1 -3,-1.6 85,-2.8 -4,-0.6 -1,-0.2 -0.249 55.6 145.0 -74.4 50.4 61.9 25.4 39.2 37 36 A T > - 0 0 64 -2,-2.3 3,-1.4 83,-0.2 80,-0.2 -0.277 61.4 -70.1 -80.7 174.4 64.3 23.8 36.7 38 37 A D T 3 S+ 0 0 90 1,-0.2 80,-0.2 80,-0.1 -1,-0.2 -0.412 119.9 8.7 -68.3 139.5 65.9 25.6 33.8 39 38 A A T 3 S+ 0 0 42 78,-2.0 -1,-0.2 1,-0.3 79,-0.1 0.469 87.0 152.7 69.8 3.4 63.5 26.5 31.0 40 39 A A < - 0 0 16 -3,-1.4 77,-3.2 76,-0.1 -1,-0.3 -0.516 47.1-122.6 -66.4 119.1 60.6 25.5 33.2 41 40 A P E -C 116 0A 74 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 -0.391 29.5-175.4 -68.3 139.3 57.7 27.6 31.9 42 41 A I E - 0 0 17 73,-3.1 74,-0.1 1,-0.6 -12,-0.1 0.314 54.5 -42.1 -97.0-123.2 55.9 29.8 34.4 43 42 A G E - 0 0 12 -14,-0.1 72,-1.0 71,-0.1 -1,-0.6 -0.097 58.2-130.7 -89.8-167.0 52.9 31.7 33.2 44 43 A P E -C 114 0A 83 0, 0.0 2,-0.4 0, 0.0 70,-0.2 -0.792 12.6-135.4-134.9 175.3 52.6 33.5 29.8 45 44 A V E -C 113 0A 17 68,-1.2 68,-2.6 -2,-0.3 2,-0.3 -0.972 9.9-136.3-143.4 126.6 51.4 37.0 29.0 46 45 A T E -C 112 0A 119 -2,-0.4 2,-0.4 66,-0.2 66,-0.2 -0.602 21.9-171.4 -84.6 142.2 49.1 38.2 26.3 47 46 A V E +C 111 0A 24 64,-2.6 64,-2.6 -2,-0.3 2,-0.3 -0.997 13.7 178.3-137.1 135.9 49.9 41.2 24.3 48 47 A Q E -C 110 0A 127 -2,-0.4 2,-0.4 62,-0.2 62,-0.2 -0.796 9.8-165.7-140.7 98.8 48.0 43.2 21.7 49 48 A A - 0 0 12 60,-2.8 2,-0.3 -2,-0.3 3,-0.2 -0.666 11.0-164.4 -84.2 131.6 49.5 46.3 20.2 50 49 A L + 0 0 138 -2,-0.4 59,-0.1 1,-0.2 -2,-0.0 -0.901 65.0 1.7-118.2 147.8 47.1 48.6 18.3 51 50 A G S S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.833 88.8 125.7 47.9 37.7 47.8 51.4 15.9 52 51 A a > + 0 0 20 -3,-0.2 55,-1.5 1,-0.1 3,-0.8 -0.167 19.1 124.7-115.3 39.0 51.5 50.6 16.2 53 52 A N T 3 S+ 0 0 117 1,-0.2 -1,-0.1 54,-0.2 53,-0.1 0.462 83.3 34.6 -78.6 -0.9 52.2 50.2 12.5 54 53 A A T 3 S+ 0 0 85 -3,-0.2 2,-0.3 52,-0.1 -1,-0.2 0.193 112.9 65.7-134.7 10.1 54.9 52.8 12.5 55 54 A R S < S- 0 0 128 -3,-0.8 2,-0.8 50,-0.1 52,-0.8 -0.951 83.6-107.4-135.4 154.9 56.4 52.2 16.0 56 55 A Q E -D 138 0A 47 82,-0.8 82,-1.3 -2,-0.3 50,-0.2 -0.748 36.6-126.3 -88.8 109.1 58.2 49.4 17.7 57 56 A V E -D 137 0A 6 -2,-0.8 46,-3.3 50,-0.4 2,-0.3 -0.102 37.1-176.3 -50.2 142.8 56.0 47.5 20.3 58 57 A A E -DE 136 102A 0 78,-2.8 78,-1.1 44,-0.3 2,-0.4 -0.981 25.5-153.6-147.4 159.3 57.6 47.3 23.7 59 58 A L E -DE 135 101A 7 42,-1.5 42,-2.8 -2,-0.3 2,-0.5 -0.988 11.9-160.2-133.8 137.9 57.3 46.0 27.3 60 59 A K E -DE 134 100A 55 74,-1.8 74,-1.6 -2,-0.4 40,-0.2 -0.940 9.8-144.5-127.8 115.5 58.8 47.5 30.4 61 60 A A E -D 133 0A 1 38,-2.4 72,-0.2 -2,-0.5 5,-0.1 -0.363 34.7 -95.0 -71.4 150.3 59.3 45.5 33.6 62 61 A D > - 0 0 54 70,-1.6 3,-2.1 1,-0.1 4,-0.3 -0.181 42.0-103.4 -56.9 160.7 58.8 47.3 36.9 63 62 A T T 3 S+ 0 0 112 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.736 123.6 54.2 -62.2 -21.7 62.1 48.6 38.4 64 63 A D T 3 S+ 0 0 73 1,-0.2 -1,-0.3 68,-0.0 -2,-0.1 0.260 100.6 62.7 -94.6 11.1 62.1 45.7 40.8 65 64 A N S < S+ 0 0 1 -3,-2.1 7,-2.5 1,-0.2 2,-0.3 0.364 103.0 41.2-116.8 2.2 61.8 43.1 38.1 66 65 A F B +F 71 0A 20 -3,-0.5 2,-0.3 -4,-0.3 5,-0.2 -0.976 51.3 167.4-154.1 141.2 65.0 43.7 36.1 67 66 A E - 0 0 109 3,-2.2 -3,-0.0 -2,-0.3 -4,-0.0 -0.943 69.8 -9.4-155.0 129.2 68.7 44.4 36.8 68 67 A Q S S- 0 0 174 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.871 131.0 -43.6 55.7 43.4 71.8 44.4 34.6 69 68 A G S S+ 0 0 49 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.890 116.7 103.5 72.3 43.1 70.0 42.9 31.6 70 69 A K - 0 0 93 2,-0.0 -3,-2.2 15,-0.0 2,-0.3 -0.950 56.5-145.6-156.8 130.1 68.0 40.2 33.4 71 70 A F E +FG 66 84A 13 13,-0.7 13,-2.6 -2,-0.3 2,-0.3 -0.761 22.9 172.6 -95.9 146.7 64.4 39.9 34.4 72 71 A F E - G 0 83A 5 -7,-2.5 11,-0.3 -2,-0.3 2,-0.2 -0.982 34.8-115.4-155.2 138.9 63.3 38.2 37.6 73 72 A L E - G 0 82A 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.528 37.0-139.1 -71.8 137.8 60.0 37.8 39.5 74 73 A I E -HG 130 81A 19 56,-3.1 56,-2.4 7,-0.2 7,-0.2 -0.786 9.9-122.5-104.3 147.1 60.2 39.6 42.9 75 74 A S E > -H 129 0A 5 5,-2.1 3,-2.2 -2,-0.3 54,-0.2 -0.335 29.7-104.8 -80.9 167.5 58.9 38.3 46.1 76 75 A D T 3 S+ 0 0 103 52,-0.6 -1,-0.1 1,-0.3 53,-0.1 0.631 123.5 57.8 -66.6 -11.1 56.4 40.0 48.4 77 76 A N T 3 S- 0 0 77 51,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.290 108.0-126.3 -99.9 6.8 59.3 40.8 50.6 78 77 A N S < S+ 0 0 122 -3,-2.2 -2,-0.1 1,-0.1 3,-0.1 0.808 92.2 81.2 49.5 35.2 61.2 42.6 47.8 79 78 A R + 0 0 196 1,-0.2 -1,-0.1 0, 0.0 -3,-0.0 0.593 69.0 65.8-126.1 -70.3 64.1 40.3 48.5 80 79 A D - 0 0 41 -6,-0.1 -5,-2.1 1,-0.0 2,-0.3 -0.295 64.3-165.1 -62.3 144.2 63.9 36.9 46.9 81 80 A K E -G 74 0A 63 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.971 20.5-154.2-134.3 149.8 64.0 36.7 43.1 82 81 A L E -G 73 0A 0 -9,-2.2 -9,-2.8 -2,-0.3 2,-0.2 -0.950 25.9-139.8-123.3 103.5 63.2 34.1 40.4 83 82 A Y E +G 72 0A 82 -2,-0.5 35,-3.4 -11,-0.3 2,-0.3 -0.464 28.6 176.7 -68.3 132.7 65.2 34.8 37.3 84 83 A V E -GI 71 117A 2 -13,-2.6 -13,-0.7 33,-0.3 2,-0.3 -0.951 27.9-130.9-138.8 156.3 63.3 34.3 34.1 85 84 A N E - 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