==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-AUG-10 2L25 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR A.WAHAB,P.SERRANO,M.GERALT,I.WILSON,K.WUTHRICH,JOINT CENTER . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 20.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 1 0 0 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 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 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 G 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.8 17.2 8.0 -6.2 2 2 A M > - 0 0 161 3,-0.0 3,-1.3 0, 0.0 2,-0.9 -0.930 360.0 -18.8-142.1 157.6 15.9 11.5 -5.3 3 3 A S T >> S+ 0 0 81 1,-0.3 4,-1.3 -2,-0.3 3,-0.6 -0.198 131.2 50.3 45.4 -79.9 12.5 13.1 -4.4 4 4 A Q H 3> S+ 0 0 99 -2,-0.9 4,-1.5 1,-0.2 3,-0.5 0.858 107.1 54.9 -45.0 -49.0 10.2 10.3 -5.7 5 5 A D H <> S+ 0 0 77 -3,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.892 102.7 56.4 -63.3 -34.3 12.3 7.6 -3.9 6 6 A L H <> S+ 0 0 67 -3,-0.6 4,-0.8 1,-0.2 98,-0.5 0.873 104.1 56.1 -57.8 -43.3 11.7 9.5 -0.6 7 7 A I H >X S+ 0 0 16 -4,-1.3 3,-1.6 -3,-0.5 4,-0.9 0.970 112.4 38.1 -50.9 -64.5 7.9 9.2 -1.2 8 8 A R H 3X S+ 0 0 62 -4,-1.5 4,-2.1 1,-0.3 5,-0.2 0.819 104.5 69.3 -67.8 -31.0 7.9 5.4 -1.5 9 9 A A H 3X S+ 0 0 44 -4,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.761 97.7 54.0 -56.8 -26.0 10.4 5.0 1.2 10 10 A A H S+ 0 0 80 -4,-2.1 4,-2.2 1,-0.2 5,-0.8 0.878 102.3 67.5 -67.3 -38.4 7.8 0.8 2.9 13 13 A K H <5S+ 0 0 166 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.782 116.7 25.0 -55.8 -36.2 8.9 2.1 6.4 14 14 A R H X5S+ 0 0 61 -4,-1.1 4,-1.6 -3,-0.5 -1,-0.2 0.858 124.6 46.5 -95.3 -48.4 5.5 1.3 7.8 15 15 A L H X5S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.2 -3,-0.2 0.897 113.7 45.3 -73.1 -42.4 4.2 -1.6 5.6 16 16 A S H X5S+ 0 0 22 -4,-2.2 4,-1.8 -5,-0.2 5,-0.2 0.928 113.8 51.5 -63.9 -41.2 7.3 -3.8 5.4 17 17 A D H >< S- 0 0 24 -4,-2.1 3,-0.6 1,-0.1 -3,-0.0 -0.295 84.1-124.7 -58.6 145.2 2.9 -9.8 12.1 23 23 A T T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.921 113.6 43.2 -59.8 -52.4 2.8 -13.2 13.7 24 24 A P T 3 S- 0 0 67 0, 0.0 -1,-0.3 0, 0.0 18,-0.1 0.626 103.7-146.6 -69.2 -11.1 2.4 -15.2 10.3 25 25 A A < - 0 0 49 -3,-0.6 -5,-0.2 -7,-0.1 -6,-0.1 0.929 16.1-146.3 46.2 88.8 5.1 -12.7 9.1 26 26 A L - 0 0 10 -7,-1.4 -1,-0.1 -8,-0.1 2,-0.1 -0.557 12.1-110.7 -92.4 147.6 4.3 -12.2 5.4 27 27 A P - 0 0 19 0, 0.0 17,-0.6 0, 0.0 2,-0.5 -0.463 28.3-143.9 -67.6 147.5 6.5 -11.6 2.3 28 28 A V E -a 44 0A 13 -2,-0.1 2,-0.9 15,-0.1 17,-0.1 -0.677 12.7-164.7-125.8 72.2 6.1 -8.1 1.0 29 29 A A E +a 45 0A 19 15,-1.5 17,-2.5 -2,-0.5 2,-0.1 -0.471 16.4 178.7 -70.7 98.7 6.3 -8.1 -2.8 30 30 A W > - 0 0 10 -2,-0.9 3,-1.2 1,-0.2 17,-0.1 -0.353 40.1 -60.3 -86.0 173.8 6.8 -4.5 -4.1 31 31 A Q T 3 S+ 0 0 51 15,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.207 122.1 2.0 -51.6 144.2 7.2 -3.0 -7.6 32 32 A N T 3 S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.268 117.5 101.4 50.1 -1.0 10.3 -4.3 -9.6 33 33 A T < - 0 0 63 -3,-1.2 2,-0.3 2,-0.0 -1,-0.2 -0.558 58.5-154.6-104.8 156.7 10.9 -6.5 -6.5 34 34 A K - 0 0 161 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.1 -0.956 4.7-167.6-126.8 153.2 10.2 -10.2 -6.1 35 35 A F - 0 0 92 -2,-0.3 -6,-0.1 -8,-0.1 -2,-0.0 -0.978 19.8-166.3-138.5 128.2 9.6 -12.1 -2.9 36 36 A T + 0 0 121 -2,-0.4 -2,-0.1 1,-0.1 3,-0.0 -0.892 53.0 42.5-164.9 154.0 9.5 -15.9 -2.7 37 37 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.598 82.4-128.0 -63.5 167.1 8.9 -18.5 -1.3 38 38 A P - 0 0 53 0, 0.0 2,-1.5 0, 0.0 5,-0.2 -0.221 31.6 -90.7 -65.4 175.0 5.5 -17.4 0.1 39 39 A A B > S-E 42 0B 27 3,-2.7 3,-2.0 1,-0.2 -13,-0.0 -0.715 97.7 -48.7 -84.8 79.3 4.6 -17.7 3.8 40 40 A A T 3 S- 0 0 99 -2,-1.5 -1,-0.2 1,-0.3 3,-0.1 0.728 117.1 -41.4 63.1 27.7 3.2 -21.2 3.2 41 41 A G T 3 S+ 0 0 23 1,-0.5 2,-0.4 34,-0.1 -1,-0.3 0.292 119.6 110.5 97.4 -4.7 1.1 -20.1 0.2 42 42 A V B < +E 39 0B 33 -3,-2.0 -3,-2.7 33,-0.2 -1,-0.5 -0.838 41.3 145.0 -90.7 132.9 0.1 -16.8 1.9 43 43 A Y E - B 0 74A 66 31,-1.8 31,-1.6 -2,-0.4 2,-0.4 -0.939 40.4-127.8-158.6 176.2 1.7 -13.7 0.3 44 44 A L E -aB 28 73A 12 -17,-0.6 -15,-1.5 -2,-0.3 2,-0.5 -0.927 8.4-164.0-140.5 108.4 1.0 -10.0 -0.5 45 45 A R E -aB 29 72A 128 27,-1.4 27,-2.3 -2,-0.4 2,-0.5 -0.871 17.6-170.1 -88.7 124.0 1.5 -8.4 -3.9 46 46 A A E - B 0 71A 6 -17,-2.5 2,-0.7 -2,-0.5 -15,-0.4 -0.934 6.3-170.3-130.3 103.7 1.5 -4.6 -3.2 47 47 A Y E - B 0 70A 122 23,-2.9 23,-2.3 -2,-0.5 2,-0.4 -0.852 7.0-159.4-102.3 109.1 1.3 -2.2 -6.2 48 48 A V E - B 0 69A 10 -2,-0.7 21,-0.2 21,-0.2 -2,-0.0 -0.736 8.7-161.0 -78.9 138.0 1.9 1.5 -5.6 49 49 A M E - B 0 68A 44 19,-2.6 19,-2.0 -2,-0.4 -2,-0.0 -0.877 9.9-170.8-128.9 86.7 0.4 3.6 -8.4 50 50 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.223 32.7 -93.5 -66.4 168.6 1.8 7.1 -8.6 51 51 A A - 0 0 8 15,-0.3 2,-0.3 14,-0.2 16,-0.1 -0.646 38.7-175.2 -72.2 144.7 0.6 10.0 -10.8 52 52 A A - 0 0 94 -2,-0.3 15,-0.0 3,-0.0 0, 0.0 -0.853 6.2-170.7-146.5 98.4 2.4 10.3 -14.1 53 53 A T - 0 0 75 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 0.042 39.9-106.4 -69.5-170.6 1.4 13.3 -16.2 54 54 A I - 0 0 170 1,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.181 56.1-137.5 -96.0 14.6 2.4 13.9 -19.9 55 55 A S + 0 0 88 1,-0.1 -1,-0.4 0, 0.0 -3,-0.0 -0.264 61.9 114.8 52.7-154.3 4.7 16.6 -18.4 56 56 A R + 0 0 222 -3,-0.1 2,-0.2 1,-0.1 -2,-0.1 0.953 39.5 160.2 52.7 102.2 4.9 20.0 -20.3 57 57 A D - 0 0 98 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 -0.627 45.6-122.9-134.0-174.7 3.5 22.7 -18.1 58 58 A A S S+ 0 0 113 -2,-0.2 2,-0.2 0, 0.0 -2,-0.0 0.310 91.7 17.9-126.4 4.9 3.7 26.6 -18.0 59 59 A A S S- 0 0 83 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.792 73.9-121.1-148.4-169.5 5.0 27.1 -14.5 60 60 A G S S+ 0 0 85 -2,-0.2 2,-0.4 -3,-0.1 0, 0.0 -0.146 85.1 83.8-130.6 35.6 6.7 24.8 -11.9 61 61 A D + 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.947 64.6 72.3-149.7 107.6 4.2 25.1 -9.1 62 62 A H + 0 0 160 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.936 49.9 70.6 177.6-175.1 1.1 22.9 -9.1 63 63 A R - 0 0 122 -2,-0.3 -1,-0.1 1,-0.1 75,-0.0 0.290 52.9-127.4 74.7 170.3 -0.1 19.3 -8.5 64 64 A Q - 0 0 68 2,-0.1 72,-2.7 73,-0.0 -1,-0.1 0.127 34.5-128.2-142.7 4.5 -0.4 16.9 -5.6 65 65 A Y + 0 0 82 70,-0.2 -14,-0.2 1,-0.1 72,-0.1 0.761 49.3 175.3 41.7 43.3 1.5 13.9 -6.9 66 66 A R + 0 0 113 -16,-0.1 -15,-0.3 69,-0.1 69,-0.3 -0.160 10.7 143.5 -82.1 171.9 -1.5 11.8 -6.1 67 67 A G E - C 0 134A 12 67,-2.7 67,-2.0 -17,-0.2 2,-0.3 -0.897 39.3 -98.1-172.5-167.1 -2.2 8.1 -6.7 68 68 A V E -BC 49 133A 46 -19,-2.0 -19,-2.6 65,-0.3 2,-0.3 -0.844 18.8-146.9-128.5 168.1 -3.6 4.9 -5.5 69 69 A F E -BC 48 132A 8 63,-2.4 63,-1.9 -2,-0.3 2,-0.4 -0.979 15.9-168.9-137.5 141.0 -2.1 1.9 -3.7 70 70 A Q E -BC 47 131A 75 -23,-2.3 -23,-2.9 -2,-0.3 2,-0.3 -0.999 4.0-173.0-138.7 124.8 -3.5 -1.6 -4.3 71 71 A V E -BC 46 130A 10 59,-2.1 59,-1.0 -2,-0.4 2,-0.5 -0.888 13.5-149.8-119.4 149.2 -2.8 -4.9 -2.5 72 72 A N E -BC 45 129A 51 -27,-2.3 -27,-1.4 -2,-0.3 2,-0.8 -0.968 9.1-154.8-119.8 110.7 -3.8 -8.5 -3.3 73 73 A V E -BC 44 128A 2 55,-0.7 55,-0.9 -2,-0.5 2,-0.4 -0.802 19.5-178.2 -83.3 106.0 -4.2 -10.7 -0.2 74 74 A V E +BC 43 127A 1 -31,-1.6 -31,-1.8 -2,-0.8 53,-0.2 -0.923 7.5 166.8-109.1 133.9 -3.7 -14.2 -1.5 75 75 A M E - C 0 126A 4 51,-0.9 51,-1.2 -2,-0.4 -33,-0.2 -0.963 36.1-103.7-144.5 149.6 -4.0 -17.2 0.9 76 76 A P E - C 0 125A 43 0, 0.0 2,-1.7 0, 0.0 49,-0.3 -0.369 30.2-109.8 -77.4 156.5 -4.3 -21.0 0.0 77 77 A I + 0 0 77 47,-2.6 48,-0.1 1,-0.2 3,-0.1 -0.620 48.2 159.9 -84.9 83.2 -7.5 -23.0 0.1 78 78 A G S S- 0 0 67 -2,-1.7 -1,-0.2 1,-0.1 47,-0.0 0.220 73.4 -88.5 -74.8 13.4 -6.5 -25.1 3.2 79 79 A D S S+ 0 0 146 2,-0.1 3,-0.1 0, 0.0 -1,-0.1 0.670 117.0 24.5 56.6 126.7 -10.3 -25.7 3.3 80 80 A G S S+ 0 0 41 1,-0.2 2,-0.9 -3,-0.1 -3,-0.1 0.656 80.8 156.2 70.9 16.6 -12.1 -22.9 5.4 81 81 A S + 0 0 28 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 -0.669 2.8 152.5 -75.9 103.1 -9.2 -20.5 4.7 82 82 A R > + 0 0 181 -2,-0.9 3,-2.1 -3,-0.1 4,-0.4 0.172 22.0 129.1-113.7 11.5 -11.0 -17.1 5.2 83 83 A S T 3> + 0 0 49 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.562 50.3 85.5 -58.1 -15.2 -7.8 -15.2 6.2 84 84 A A H 3> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.869 91.0 50.5 -44.8 -43.8 -8.4 -12.4 3.6 85 85 A E H <> S+ 0 0 145 -3,-2.1 4,-2.7 2,-0.2 5,-0.2 0.946 106.1 51.4 -65.2 -54.4 -10.7 -10.8 6.3 86 86 A Q H > S+ 0 0 113 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.899 114.5 45.6 -48.5 -48.1 -8.1 -10.9 9.2 87 87 A V H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.917 110.7 51.2 -67.5 -45.1 -5.6 -9.3 6.9 88 88 A A H X S+ 0 0 19 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.903 115.6 44.6 -54.2 -41.5 -8.1 -6.6 5.6 89 89 A A H X S+ 0 0 55 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.847 112.2 48.8 -77.5 -38.4 -8.9 -5.8 9.2 90 90 A E H X S+ 0 0 68 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.893 114.3 47.4 -67.6 -39.6 -5.3 -5.8 10.5 91 91 A L H X S+ 0 0 14 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.794 108.1 56.4 -70.7 -29.6 -4.3 -3.5 7.6 92 92 A D H >< S+ 0 0 86 -4,-1.3 3,-1.0 -5,-0.2 -2,-0.2 0.971 106.0 49.8 -63.5 -49.5 -7.4 -1.3 8.4 93 93 A A H 3< S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.866 114.0 47.0 -54.3 -39.3 -6.2 -0.8 12.0 94 94 A L H 3< S+ 0 0 49 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.734 108.8 57.5 -76.2 -22.5 -2.8 0.1 10.5 95 95 A F << + 0 0 12 -4,-1.2 -1,-0.2 -3,-1.0 19,-0.2 -0.655 67.2 179.7-118.5 78.2 -4.2 2.6 7.8 96 96 A P > - 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