==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 09-OCT-11 3U4K . COMPND 2 MOLECULE: FIMBRIA ADHESIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR A.T.REGO,G.WAKSMAN . 163 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 24 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 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 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 . 0 4 1 1 1 0 0 1 1 1 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 1 0 0 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 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 19 A G 0 0 108 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.7 41.9 -1.4 -21.2 2 20 A S - 0 0 50 50,-0.1 2,-0.4 48,-0.0 47,-0.0 -0.374 360.0-144.6 -77.0 153.7 38.1 -1.6 -20.7 3 21 A S - 0 0 64 -2,-0.1 47,-0.8 2,-0.0 2,-0.5 -0.986 13.9-170.2-121.3 127.7 36.1 0.8 -18.5 4 22 A a E -A 49 0A 37 -2,-0.4 45,-0.2 45,-0.2 2,-0.2 -0.973 5.8-178.6-123.1 127.2 33.1 -0.4 -16.5 5 23 A W E -A 48 0A 122 43,-2.2 43,-1.9 -2,-0.5 2,-0.7 -0.575 34.9 -97.2-115.2 177.0 30.6 1.8 -14.7 6 24 A Q E -A 47 0A 74 41,-0.2 41,-0.3 -2,-0.2 40,-0.1 -0.865 28.5-173.0-104.7 109.2 27.6 1.3 -12.5 7 25 A S S S+ 0 0 58 39,-0.9 2,-0.3 -2,-0.7 39,-0.2 0.793 70.6 23.0 -72.1 -30.8 24.4 1.6 -14.5 8 26 A N S S- 0 0 71 38,-0.7 -1,-0.1 36,-0.1 3,-0.1 -0.972 87.6 -97.4-137.0 151.6 22.0 1.4 -11.5 9 27 A S - 0 0 90 -2,-0.3 134,-0.1 1,-0.1 -2,-0.0 -0.311 60.1 -81.1 -62.7 150.5 22.2 2.0 -7.8 10 28 A A - 0 0 24 132,-0.3 2,-0.4 1,-0.1 134,-0.2 -0.024 38.6-112.3 -55.3 151.0 22.8 -1.0 -5.6 11 29 A Y E -b 144 0A 76 132,-2.6 134,-3.1 -3,-0.1 2,-0.4 -0.710 40.2-155.4 -79.4 137.0 20.0 -3.5 -4.5 12 30 A E E -b 145 0A 112 -2,-0.4 2,-0.5 132,-0.2 134,-0.2 -0.948 18.2-167.6-126.5 138.9 19.5 -3.2 -0.8 13 31 A I E -b 146 0A 12 132,-1.9 134,-2.3 -2,-0.4 2,-0.7 -0.988 13.7-150.3-121.6 120.7 18.1 -5.6 1.9 14 32 A N E -b 147 0A 68 -2,-0.5 2,-0.5 132,-0.2 134,-0.2 -0.837 15.0-150.5 -82.7 118.3 17.2 -4.3 5.4 15 33 A X + 0 0 1 132,-2.8 2,-0.1 -2,-0.7 133,-0.1 -0.083 30.6 164.0 -89.1 37.1 17.9 -7.4 7.5 16 34 A A + 0 0 38 -2,-0.5 137,-0.2 1,-0.2 136,-0.1 -0.351 8.5 160.4 -60.7 123.1 15.3 -6.6 10.2 17 35 A X - 0 0 34 135,-2.1 136,-0.2 1,-0.2 -1,-0.2 0.503 32.2-150.2-119.7 -14.1 14.6 -9.7 12.3 18 36 A G E -f 153 0B 33 134,-3.6 136,-2.1 2,-0.0 2,-0.3 -0.422 51.2 -5.7 74.9-149.6 13.0 -8.2 15.4 19 37 A R E -f 154 0B 178 134,-0.2 2,-0.4 -2,-0.1 136,-0.2 -0.637 61.6-172.8 -89.7 134.3 13.3 -9.7 18.9 20 38 A V E -f 155 0B 17 134,-2.8 136,-3.2 -2,-0.3 2,-0.6 -0.992 11.5-154.9-132.3 129.9 14.9 -13.1 19.4 21 39 A V E -f 156 0B 87 -2,-0.4 2,-0.4 134,-0.2 136,-0.2 -0.909 15.4-141.8-108.0 118.9 15.1 -15.2 22.6 22 40 A V - 0 0 2 134,-0.8 102,-0.1 -2,-0.6 10,-0.0 -0.650 12.6-138.0 -82.9 124.7 18.0 -17.7 22.9 23 41 A S > - 0 0 50 -2,-0.4 3,-0.9 1,-0.1 134,-0.0 -0.636 5.5-141.6 -79.6 136.7 17.2 -21.0 24.6 24 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.793 100.9 60.9 -65.9 -27.2 19.8 -22.4 27.1 25 43 A D T 3 S+ 0 0 147 2,-0.1 -3,-0.0 -3,-0.0 -2,-0.0 0.640 76.5 110.0 -74.5 -17.6 19.1 -25.9 25.8 26 44 A L S < S- 0 0 51 -3,-0.9 3,-0.1 1,-0.1 6,-0.0 -0.464 72.0-125.4 -65.4 119.6 20.2 -25.0 22.2 27 45 A P > - 0 0 86 0, 0.0 3,-1.4 0, 0.0 92,-0.2 -0.244 32.5 -85.6 -68.9 156.3 23.6 -26.7 21.5 28 46 A V T 3 S+ 0 0 87 1,-0.2 92,-0.2 90,-0.1 3,-0.1 -0.304 112.4 21.9 -63.1 139.8 26.7 -24.8 20.4 29 47 A G T 3 S+ 0 0 50 90,-3.2 -1,-0.2 1,-0.3 91,-0.1 0.100 95.5 120.5 91.3 -22.1 27.0 -24.3 16.6 30 48 A S S < S- 0 0 35 -3,-1.4 89,-2.0 89,-0.1 2,-0.4 -0.267 72.4 -91.6 -76.5 162.4 23.2 -24.7 16.0 31 49 A V E -H 118 0C 62 87,-0.2 87,-0.2 1,-0.2 3,-0.1 -0.585 31.8-177.4 -78.6 127.9 20.9 -22.0 14.5 32 50 A I E S- 0 0 28 85,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.892 74.0 -12.9 -83.9 -51.6 19.2 -19.6 16.9 33 51 A A E -H 117 0C 18 84,-1.0 84,-3.0 -13,-0.1 -1,-0.4 -0.990 62.0-165.7-151.6 150.9 17.2 -17.8 14.2 34 52 A T E -H 116 0C 77 -2,-0.3 2,-0.3 82,-0.2 82,-0.2 -0.977 1.8-171.7-137.6 148.9 17.3 -17.5 10.4 35 53 A K E -H 115 0C 87 80,-2.0 80,-2.4 -2,-0.3 2,-0.4 -0.991 5.2-161.2-144.6 139.6 15.7 -15.1 7.8 36 54 A T E -H 114 0C 70 -2,-0.3 2,-0.4 78,-0.2 78,-0.2 -0.971 3.2-170.7-126.6 125.2 15.6 -15.2 4.0 37 55 A W E -H 113 0C 46 76,-2.7 76,-3.7 -2,-0.4 2,-0.3 -0.904 13.3-148.6-108.5 142.5 14.9 -12.4 1.5 38 56 A T E -H 112 0C 101 -2,-0.4 74,-0.2 74,-0.3 72,-0.1 -0.827 4.3-156.1-108.4 148.4 14.3 -13.1 -2.1 39 57 A X E -H 111 0C 11 72,-2.8 72,-1.0 -2,-0.3 3,-0.1 -0.995 26.4-123.3-119.7 124.7 15.2 -10.8 -5.1 40 58 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 71,-0.1 -0.304 36.3 -93.1 -64.4 147.9 13.1 -11.4 -8.3 41 59 A D - 0 0 114 69,-0.1 2,-0.3 68,-0.1 68,-0.1 -0.488 59.3-159.5 -65.3 128.0 15.0 -12.3 -11.5 42 60 A N - 0 0 52 66,-0.8 68,-0.1 -2,-0.2 -1,-0.1 -0.783 39.4-148.8-125.3 152.7 15.5 -8.9 -13.1 43 61 A N + 0 0 146 -2,-0.3 -1,-0.1 64,-0.1 -2,-0.0 0.534 65.8 118.2 -88.8 -9.3 16.2 -7.2 -16.4 44 62 A T - 0 0 48 64,-0.1 2,-0.6 1,-0.1 64,-0.5 -0.318 59.1-139.6 -66.0 137.6 18.0 -4.3 -14.7 45 63 A I E + C 0 107A 54 62,-0.2 62,-0.2 1,-0.1 3,-0.1 -0.887 23.6 174.1-102.8 120.9 21.7 -3.8 -15.5 46 64 A Y E S+ 0 0 11 60,-2.3 -39,-0.9 -2,-0.6 -38,-0.7 0.778 71.6 35.1 -96.4 -33.2 23.9 -2.9 -12.6 47 65 A V E +AC 6 106A 2 59,-1.4 59,-2.2 -41,-0.3 2,-0.4 -0.993 65.9 177.6-127.3 131.7 27.3 -3.0 -14.4 48 66 A T E -AC 5 105A 24 -43,-1.9 -43,-2.2 -2,-0.4 2,-0.2 -0.990 3.4-175.2-133.6 138.4 27.9 -2.0 -18.0 49 67 A a E -A 4 0A 10 55,-3.0 -45,-0.2 -2,-0.4 55,-0.1 -0.724 31.3-128.9-124.3 174.6 31.2 -1.8 -20.0 50 68 A D E S+ 0 0 84 -47,-0.8 2,-0.2 -2,-0.2 -1,-0.1 0.812 93.8 29.9 -91.2 -39.7 32.4 -0.7 -23.4 51 69 A R E S- 0 0 126 -48,-0.2 2,-0.7 52,-0.1 -2,-0.1 -0.513 105.2 -79.8-104.6 177.3 34.2 -3.9 -24.4 52 70 A N E - 0 0 120 -2,-0.2 2,-0.4 50,-0.1 52,-0.2 -0.776 63.9-168.8 -76.2 116.1 33.5 -7.5 -23.5 53 71 A T E - C 0 103A 13 50,-3.4 50,-2.8 -2,-0.7 2,-0.7 -0.880 27.2-136.8-119.9 142.6 35.1 -7.6 -20.1 54 72 A T E - C 0 102A 95 -2,-0.4 2,-0.4 48,-0.3 48,-0.3 -0.879 34.0-169.0 -96.1 111.9 36.1 -10.3 -17.6 55 73 A L E - C 0 101A 32 46,-2.6 46,-2.2 -2,-0.7 2,-0.6 -0.824 20.9-151.4-112.7 143.0 35.1 -9.1 -14.1 56 74 A K E - C 0 100A 110 -2,-0.4 2,-0.5 44,-0.2 44,-0.2 -0.943 15.3-163.1-110.2 112.8 35.8 -10.4 -10.6 57 75 A S E - C 0 99A 15 42,-3.6 42,-3.4 -2,-0.6 2,-0.4 -0.862 7.8-149.3 -99.6 126.2 33.0 -9.6 -8.0 58 76 A D E -DC 138 98A 46 80,-2.5 80,-1.5 -2,-0.5 2,-0.7 -0.778 6.8-146.0 -98.3 134.0 33.9 -9.9 -4.3 59 77 A A E -DC 137 97A 2 38,-3.5 38,-1.2 -2,-0.4 2,-0.4 -0.893 32.8-174.7 -94.7 112.2 31.4 -10.8 -1.6 60 78 A K E -D 136 0A 114 76,-3.1 76,-2.7 -2,-0.7 2,-0.6 -0.894 31.8-148.8-120.0 137.9 32.5 -8.8 1.4 61 79 A V E +D 135 0A 28 -2,-0.4 74,-0.2 74,-0.2 5,-0.0 -0.929 27.3 167.8 -96.0 120.3 31.5 -8.5 5.1 62 80 A V + 0 0 59 72,-2.1 73,-0.2 -2,-0.6 2,-0.1 0.454 25.7 123.9-117.2 -5.6 32.2 -4.9 6.0 63 81 A A > - 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