==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 22-MAY-01 1J8R . COMPND 2 MOLECULE: PYELONEPHRITIC ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.W.DODSON,J.S.PINKNER,T.ROSE,G.MAGNUSSON,S.J.HULTGREN, . 196 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 40.3 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 . 1 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-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 . 26 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 2 1 0 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 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 W 0 0 82 0, 0.0 164,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.4 16.6 27.8 75.6 2 2 A N E -A 164 0A 35 162,-0.2 43,-1.1 163,-0.1 2,-0.4 -0.982 360.0-174.2-144.4 127.0 16.5 27.4 71.8 3 3 A N E -AB 163 44A 0 160,-3.2 160,-3.1 -2,-0.3 2,-0.4 -0.993 7.9-176.3-120.8 128.5 17.5 30.0 69.2 4 4 A I E -AB 162 43A 0 39,-2.7 39,-2.3 -2,-0.4 2,-0.4 -0.995 1.3-178.6-129.0 131.3 16.8 29.1 65.5 5 5 A V E -AB 161 42A 0 156,-2.8 156,-3.1 -2,-0.4 2,-0.6 -0.991 17.2-145.8-130.2 133.6 17.8 31.4 62.7 6 6 A F E -AB 160 41A 0 35,-3.1 34,-2.1 -2,-0.4 35,-0.8 -0.913 9.1-160.8-105.3 119.1 17.2 30.9 59.0 7 7 A Y E -AB 159 39A 3 152,-2.9 152,-2.6 -2,-0.6 2,-0.4 -0.868 13.7-152.9 -99.6 111.8 20.0 32.1 56.7 8 8 A S E -AB 158 38A 0 30,-3.0 30,-2.6 -2,-0.7 150,-0.3 -0.715 1.7-147.8 -94.1 127.8 18.6 32.6 53.1 9 9 A L E - B 0 37A 2 148,-2.6 148,-0.5 -2,-0.4 175,-0.3 -0.586 11.4-171.8 -88.3 152.5 20.7 32.3 50.0 10 10 A G + 0 0 48 26,-0.6 2,-0.2 -2,-0.2 175,-0.2 -0.356 23.8 139.9-146.8 67.8 19.9 34.4 47.0 11 11 A D - 0 0 22 22,-0.1 175,-1.9 24,-0.0 2,-0.4 -0.651 40.6-135.2-105.2 162.2 21.8 33.8 43.8 12 12 A V E +g 186 0B 84 -2,-0.2 2,-0.3 173,-0.2 175,-0.2 -0.943 27.1 179.3-114.9 140.2 20.4 33.7 40.3 13 13 A N E -g 187 0B 54 173,-2.6 175,-2.9 -2,-0.4 2,-0.3 -0.930 16.9-144.2-138.4 162.6 21.4 30.9 37.9 14 14 A S E -g 188 0B 59 -2,-0.3 2,-0.4 173,-0.2 175,-0.2 -0.917 7.2-168.6-125.2 152.3 20.7 29.8 34.4 15 15 A Y E -g 189 0B 58 173,-1.9 175,-2.6 -2,-0.3 2,-0.7 -0.966 17.2-140.8-142.7 124.6 20.4 26.4 32.9 16 16 A Q E +g 190 0B 119 -2,-0.4 175,-0.2 173,-0.2 173,-0.1 -0.782 22.5 173.2 -89.2 117.1 20.3 25.8 29.1 17 17 A G E - 0 0 27 173,-2.7 174,-0.2 -2,-0.7 -1,-0.2 0.586 29.6-156.6 -96.8 -13.4 17.8 23.2 28.1 18 18 A G E - 0 0 24 172,-0.3 174,-2.8 8,-0.1 2,-0.3 -0.321 48.5 -8.9 74.6-154.9 18.2 23.8 24.4 19 19 A N E S+g 192 0B 102 172,-0.2 2,-0.3 174,-0.1 174,-0.2 -0.639 73.9 173.8 -79.9 137.6 15.6 22.9 21.8 20 20 A V E -g 193 0B 4 172,-2.9 174,-2.7 -2,-0.3 175,-0.4 -0.947 25.1-141.2-142.3 159.6 12.8 20.8 23.2 21 21 A V > - 0 0 27 -2,-0.3 3,-2.0 172,-0.2 175,-0.2 -0.884 32.5-111.5-119.6 155.2 9.4 19.5 22.0 22 22 A I T 3 S+ 0 0 22 173,-2.8 118,-0.3 -2,-0.3 174,-0.1 0.521 113.8 62.5 -68.9 -2.7 6.3 19.4 24.2 23 23 A T T 3 S+ 0 0 110 172,-0.2 -1,-0.3 116,-0.1 2,-0.2 0.502 95.8 77.2 -94.3 -9.2 6.3 15.5 24.4 24 24 A Q S < S- 0 0 96 -3,-2.0 116,-0.7 115,-0.0 -4,-0.0 -0.547 73.6-139.3 -97.1 165.8 9.7 15.7 26.2 25 25 A R - 0 0 131 -2,-0.2 114,-0.2 114,-0.1 -3,-0.1 -0.778 24.2-154.0-124.2 82.4 10.4 16.6 29.9 26 26 A P - 0 0 14 0, 0.0 112,-2.3 0, 0.0 2,-0.2 -0.270 12.5-140.2 -57.5 139.8 13.6 18.7 29.7 27 27 A Q E -I 137 0C 72 110,-0.3 2,-0.3 -10,-0.1 110,-0.3 -0.568 15.8-167.7 -99.8 165.3 15.7 18.6 32.9 28 28 A F E -I 136 0C 0 108,-2.3 108,-2.7 -2,-0.2 2,-0.5 -0.974 18.2-129.4-148.3 148.1 17.6 21.3 34.8 29 29 A I E -I 135 0C 44 -2,-0.3 2,-0.6 106,-0.2 106,-0.2 -0.886 11.7-158.8-105.1 129.9 20.1 21.1 37.6 30 30 A T E -I 134 0C 6 104,-3.0 104,-2.3 -2,-0.5 2,-0.3 -0.940 16.4-168.3-108.3 116.4 19.7 23.1 40.7 31 31 A S - 0 0 37 -2,-0.6 2,-0.5 102,-0.2 102,-0.1 -0.835 23.4-121.3-110.1 146.7 23.1 23.4 42.5 32 32 A W - 0 0 9 99,-0.6 99,-0.2 -2,-0.3 101,-0.0 -0.729 30.7-162.4 -83.7 122.5 23.7 24.7 46.1 33 33 A R - 0 0 107 -2,-0.5 94,-0.1 97,-0.1 96,-0.1 -0.918 15.8-131.0-115.6 115.7 26.1 27.6 45.8 34 34 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 94,-0.2 -0.307 56.4 115.1 -57.1 143.9 28.0 28.8 48.9 35 35 A G E - C 0 127A 19 92,-1.4 92,-2.9 94,-0.1 2,-0.3 -0.970 65.6 -32.8 177.3-165.3 27.6 32.6 49.2 36 36 A I E - C 0 126A 77 -2,-0.3 -26,-0.6 90,-0.2 2,-0.3 -0.619 54.6-161.0 -80.8 133.6 26.2 35.4 51.4 37 37 A A E -BC 9 125A 0 88,-3.2 88,-1.7 -2,-0.3 2,-0.4 -0.874 5.7-148.8-115.8 150.2 23.0 34.6 53.3 38 38 A T E -BC 8 124A 42 -30,-2.6 -30,-3.0 -2,-0.3 2,-0.3 -0.952 24.1-115.5-118.2 133.1 20.5 36.9 54.8 39 39 A V E +B 7 0A 2 84,-3.0 83,-2.8 -2,-0.4 -32,-0.2 -0.508 38.9 166.1 -66.4 126.5 18.4 36.1 57.9 40 40 A T E + 0 0 30 -34,-2.1 2,-0.3 1,-0.4 -1,-0.2 0.390 64.3 13.2-120.7 -1.7 14.7 36.0 56.8 41 41 A W E +B 6 0A 49 -35,-0.8 -35,-3.1 140,-0.1 -1,-0.4 -0.945 59.4 169.7-169.6 147.1 13.3 34.3 59.9 42 42 A N E -B 5 0A 47 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.979 16.9-162.4-156.9 165.1 14.2 33.5 63.5 43 43 A Q E +B 4 0A 94 -39,-2.3 -39,-2.7 -2,-0.3 2,-0.4 -0.841 27.8 165.8-151.9 113.4 12.7 32.2 66.8 44 44 A a E +B 3 0A 46 -2,-0.3 -41,-0.2 -41,-0.3 74,-0.1 -0.994 30.4 159.6-141.3 142.4 14.7 32.8 70.0 45 45 A N + 0 0 120 -43,-1.1 -42,-0.2 -2,-0.4 -1,-0.1 0.189 67.0 78.2-136.2 9.7 14.3 32.7 73.7 46 46 A G S S- 0 0 28 -44,-0.3 -2,-0.1 1,-0.2 2,-0.0 -0.150 92.8 -50.5-103.8-159.4 18.0 32.4 74.7 47 47 A P - 0 0 55 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.338 38.4-139.7 -73.8 156.4 21.0 34.7 74.9 48 48 A E S S+ 0 0 79 1,-0.2 69,-2.2 68,-0.1 70,-0.6 0.889 82.6 30.2 -84.5 -39.5 21.8 37.0 72.0 49 49 A F E -L 116 0D 137 67,-0.3 2,-0.5 68,-0.2 67,-0.2 -0.949 59.9-151.8-126.4 142.5 25.6 36.7 72.1 50 50 A A E -L 115 0D 11 65,-2.8 65,-2.3 -2,-0.4 62,-0.0 -0.946 13.3-161.5-104.4 123.6 28.0 33.9 73.2 51 51 A D - 0 0 97 -2,-0.5 63,-0.2 63,-0.2 -1,-0.1 0.396 47.0 -96.1 -91.2 4.7 31.3 35.5 74.4 52 52 A G S S+ 0 0 33 2,-0.3 62,-0.1 61,-0.2 -2,-0.0 0.135 110.2 84.4 105.2 -20.5 33.6 32.5 74.2 53 53 A F S S+ 0 0 164 60,-0.1 2,-0.4 2,-0.0 60,-0.1 0.599 82.6 67.5 -89.6 -11.2 33.4 31.4 77.8 54 54 A W - 0 0 177 58,-0.3 -2,-0.3 59,-0.0 2,-0.2 -0.896 69.9-130.6-124.3 143.6 30.2 29.4 77.4 55 55 A A + 0 0 42 -2,-0.4 2,-0.3 110,-0.1 57,-0.2 -0.497 26.7 163.5 -86.7 151.2 29.0 26.2 75.7 56 56 A Y E -D 111 0A 7 55,-2.0 55,-2.7 -2,-0.2 2,-0.4 -0.905 32.7-112.2-150.0 170.7 25.9 25.7 73.5 57 57 A Y E -DE 110 164A 54 107,-2.8 107,-1.8 -2,-0.3 2,-0.4 -0.946 21.2-142.9-119.1 137.1 24.9 23.0 71.1 58 58 A R E +DE 109 163A 39 51,-2.7 51,-1.9 -2,-0.4 2,-0.4 -0.772 18.4 174.9-100.1 138.6 24.5 23.2 67.3 59 59 A E E - E 0 162A 17 103,-2.0 103,-2.3 -2,-0.4 2,-0.4 -0.945 15.3-173.5-136.2 111.4 21.9 21.6 65.0 60 60 A Y E +DE 106 161A 15 46,-1.4 46,-1.2 -2,-0.4 45,-1.1 -0.926 6.4 179.8-112.4 133.8 22.1 22.7 61.4 61 61 A I E -DE 104 160A 10 99,-2.4 99,-3.1 -2,-0.4 43,-0.3 -0.983 18.8-142.5-134.5 121.3 19.7 21.8 58.6 62 62 A A E -DE 103 159A 0 41,-2.9 41,-2.1 -2,-0.4 2,-0.3 -0.592 22.3-161.7 -80.1 144.9 19.9 22.9 55.0 63 63 A W E +DE 102 158A 1 95,-2.8 95,-2.1 -2,-0.2 2,-0.3 -0.966 20.6 178.5-129.8 147.0 16.6 23.7 53.3 64 64 A V E -DE 101 157A 5 37,-1.9 37,-2.8 -2,-0.3 2,-0.5 -0.969 7.2-172.0-141.1 125.1 15.4 24.0 49.7 65 65 A V E -DE 100 156A 0 91,-2.5 91,-2.5 -2,-0.3 35,-0.2 -0.986 15.5-177.4-121.4 118.8 11.7 24.8 49.1 66 66 A F E -D 99 0A 0 33,-1.5 33,-3.8 -2,-0.5 89,-0.1 -0.944 26.2-112.0-125.3 136.8 10.9 24.6 45.4 67 67 A P E -D 98 0A 10 0, 0.0 31,-0.3 0, 0.0 3,-0.1 -0.304 9.5-151.1 -65.7 146.7 7.7 25.3 43.4 68 68 A K S S+ 0 0 46 29,-2.5 12,-2.4 1,-0.2 2,-0.3 0.581 84.9 27.7 -91.1 -12.7 5.8 22.4 41.8 69 69 A K E -J 79 0C 113 28,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.996 63.4-174.3-147.8 146.1 4.5 24.7 39.1 70 70 A V E -J 78 0C 16 8,-1.9 8,-3.0 -2,-0.3 2,-0.4 -0.997 21.9-130.2-141.6 141.6 5.6 28.0 37.5 71 71 A X E -J 77 0C 103 -2,-0.3 81,-0.2 6,-0.2 2,-0.0 -0.763 24.1-129.4 -91.5 134.7 3.8 30.2 35.0 72 72 A T > - 0 0 6 4,-3.1 3,-2.0 -2,-0.4 79,-0.1 -0.317 30.1-102.7 -74.6 166.8 5.8 31.3 31.9 73 73 A Q T 3 S+ 0 0 193 1,-0.3 -1,-0.1 77,-0.2 78,-0.0 0.917 123.5 53.2 -58.3 -41.6 5.9 35.0 31.0 74 74 A N T 3 S- 0 0 74 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.259 127.9 -94.6 -81.8 17.9 3.3 34.4 28.3 75 75 A G S < S+ 0 0 47 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.723 77.6 132.0 86.3 22.9 0.9 32.8 30.7 76 76 A Y - 0 0 61 69,-0.0 -4,-3.1 65,-0.0 2,-0.3 -0.889 52.0-123.4-112.4 140.3 1.4 29.0 30.5 77 77 A P E -J 71 0C 35 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.623 20.0-162.1 -81.4 132.5 1.9 26.6 33.4 78 78 A L E -J 70 0C 2 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.7 -0.918 14.5-137.3-110.6 138.5 5.0 24.4 33.5 79 79 A F E -JK 69 139C 89 60,-2.3 60,-2.7 -2,-0.4 2,-0.5 -0.871 13.8-152.4-102.7 117.5 4.9 21.4 35.8 80 80 A I E + K 0 138C 4 -12,-2.4 2,-0.3 -2,-0.7 58,-0.2 -0.752 16.4 179.5 -92.7 128.0 8.1 20.8 37.8 81 81 A E E - K 0 137C 58 56,-2.9 56,-2.6 -2,-0.5 2,-0.4 -0.942 31.5-113.3-126.6 148.5 8.9 17.2 38.9 82 82 A V E + K 0 136C 35 -2,-0.3 54,-0.3 54,-0.2 3,-0.1 -0.657 33.0 172.5 -80.4 130.3 11.9 15.9 40.9 83 83 A H E S+ 0 0 112 52,-2.9 2,-0.3 -2,-0.4 53,-0.2 0.782 74.5 2.6-103.3 -44.2 14.1 13.7 38.7 84 84 A N E - 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