==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-NOV-07 3BE3 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA RB50; . AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK . 155 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 6 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 5 A X > 0 0 117 0, 0.0 3,-1.5 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -68.8 80.2 57.8 -8.5 2 6 A Q T 3 + 0 0 145 1,-0.3 151,-0.0 149,-0.1 149,-0.0 0.788 360.0 47.7 -56.7 -33.9 78.8 56.0 -5.4 3 7 A D T 3 S+ 0 0 129 2,-0.1 -1,-0.3 148,-0.0 2,-0.1 0.379 81.5 120.4 -92.8 5.2 82.1 54.5 -4.4 4 8 A F < - 0 0 10 -3,-1.5 18,-0.1 1,-0.0 147,-0.0 -0.444 49.7-154.6 -68.7 141.6 84.1 57.7 -4.7 5 9 A R - 0 0 61 -2,-0.1 14,-0.1 16,-0.1 81,-0.1 -0.923 3.8-146.5-123.8 109.0 85.7 58.8 -1.4 6 10 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.342 54.3 84.0 -67.2 155.8 86.5 62.5 -0.8 7 11 A G E S-A 19 0A 1 12,-1.2 12,-3.3 77,-0.1 2,-0.3 -0.968 81.7 -17.5 147.9-159.9 89.7 63.1 1.3 8 12 A V E -AB 18 72A 6 64,-2.7 63,-2.5 -2,-0.3 64,-0.6 -0.641 58.5-179.1 -84.5 134.4 93.4 63.4 0.8 9 13 A Y E -AB 17 70A 16 8,-2.7 8,-2.4 -2,-0.3 2,-0.5 -0.946 22.7-138.0-130.8 150.0 95.0 61.9 -2.4 10 14 A R E -AB 16 69A 98 59,-2.6 59,-2.9 -2,-0.3 6,-0.2 -0.952 19.9-138.7-110.1 123.8 98.5 61.7 -3.6 11 15 A H E > - B 0 68A 19 4,-2.8 3,-2.7 -2,-0.5 57,-0.2 -0.517 28.5-110.7 -74.8 149.4 99.0 62.4 -7.4 12 16 A Y T 3 S+ 0 0 67 55,-2.4 -1,-0.1 1,-0.3 56,-0.1 0.720 117.2 62.8 -57.7 -19.9 101.4 60.1 -9.0 13 17 A K T 3 S- 0 0 157 54,-0.3 -1,-0.3 2,-0.1 54,-0.0 0.503 123.0 -99.9 -83.3 -2.4 103.9 62.9 -9.4 14 18 A G S < S+ 0 0 37 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.129 80.1 118.9 114.3 -24.3 104.1 63.3 -5.6 15 19 A D - 0 0 62 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.508 55.0-126.9 -84.0 148.6 101.9 66.2 -4.5 16 20 A H E -A 10 0A 33 22,-0.3 22,-2.9 -6,-0.2 2,-0.3 -0.663 24.8-176.3 -94.1 146.5 99.0 65.9 -2.1 17 21 A Y E -AC 9 37A 29 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.6 -0.967 23.3-131.0-139.0 152.6 95.5 67.3 -2.9 18 22 A L E -AC 8 36A 51 18,-3.0 18,-2.1 -2,-0.3 2,-0.7 -0.925 16.6-152.8-110.0 111.8 92.3 67.5 -0.9 19 23 A A E -AC 7 35A 1 -12,-3.3 -12,-1.2 -2,-0.6 16,-0.3 -0.765 9.6-172.7 -84.4 116.7 89.2 66.1 -2.8 20 24 A L E - 0 0 41 14,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.737 52.8 -78.7 -81.3 -25.8 86.2 68.0 -1.4 21 25 A G E - C 0 34A 8 13,-1.1 13,-2.6 -14,-0.1 -1,-0.3 -0.958 55.6 -52.5 154.7-171.0 83.7 65.9 -3.3 22 26 A L E - C 0 33A 35 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.641 46.2-176.7 -98.5 157.4 82.0 65.3 -6.6 23 27 A A E - C 0 32A 38 9,-2.2 9,-2.7 -2,-0.2 2,-0.6 -0.968 28.3-113.5-149.0 161.7 80.2 68.0 -8.7 24 28 A R E - C 0 31A 139 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.891 25.5-137.4-101.9 119.5 78.2 68.3 -11.9 25 29 A A E >> - C 0 30A 24 5,-2.9 4,-2.4 -2,-0.6 5,-0.7 -0.692 15.2-150.5 -75.9 116.6 80.0 70.3 -14.7 26 30 A D T 45S+ 0 0 103 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.854 86.7 54.9 -59.2 -41.6 77.1 72.5 -16.0 27 31 A E T 45S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.810 127.6 16.2 -65.0 -33.1 78.3 72.9 -19.6 28 32 A T T 45S- 0 0 80 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.491 94.9-124.9-119.1 -8.7 78.7 69.1 -20.3 29 33 A D T <5 + 0 0 112 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.852 61.6 143.9 63.9 37.5 76.7 67.5 -17.5 30 34 A E E < -C 25 0A 79 -5,-0.7 -5,-2.9 21,-0.0 2,-0.5 -0.760 55.7-107.7-110.0 155.6 79.6 65.4 -16.5 31 35 A V E +C 24 0A 47 -2,-0.3 20,-2.7 -7,-0.2 21,-0.4 -0.692 42.4 176.3 -84.6 121.4 80.9 64.2 -13.0 32 36 A V E -CD 23 50A 12 -9,-2.7 -9,-2.2 -2,-0.5 2,-0.5 -0.813 28.9-122.3-120.7 162.5 84.0 66.0 -11.9 33 37 A V E -CD 22 49A 0 16,-3.4 16,-1.3 -2,-0.3 2,-0.5 -0.898 20.0-146.7-105.1 134.1 86.1 65.9 -8.7 34 38 A V E +CD 21 48A 31 -13,-2.6 -14,-2.5 -2,-0.5 -13,-1.1 -0.898 32.6 160.8-101.5 124.3 86.6 69.2 -6.9 35 39 A Y E -CD 19 47A 16 12,-2.8 12,-3.4 -2,-0.5 2,-0.3 -0.991 30.8-146.5-147.1 155.9 90.0 69.4 -5.2 36 40 A T E -CD 18 46A 31 -18,-2.1 -18,-3.0 -2,-0.3 10,-0.2 -0.915 29.7-111.2-120.8 147.2 92.5 71.8 -3.7 37 41 A R E -C 17 0A 47 8,-2.1 -20,-0.3 -2,-0.3 2,-0.1 -0.508 12.8-153.9 -80.4 145.8 96.3 71.5 -3.7 38 42 A L S S+ 0 0 71 -22,-2.9 -22,-0.3 -2,-0.2 2,-0.3 -0.426 71.5 62.9-113.3 53.4 98.2 70.9 -0.5 39 43 A Y S S- 0 0 62 -2,-0.1 2,-0.4 -24,-0.1 -2,-0.1 -0.951 87.1 -92.6-166.0 158.1 101.5 72.4 -1.5 40 44 A A + 0 0 98 -2,-0.3 2,-0.3 0, 0.0 -2,-0.1 -0.660 57.8 122.2 -90.5 135.4 102.8 75.8 -2.5 41 45 A R - 0 0 161 -2,-0.4 2,-0.2 2,-0.1 -2,-0.1 -0.913 60.1 -79.8-167.8 175.2 103.1 77.1 -6.1 42 46 A A S S+ 0 0 82 -2,-0.3 2,-0.2 2,-0.0 0, 0.0 -0.551 81.5 33.8 -90.9 156.5 101.6 80.0 -8.1 43 47 A G S S- 0 0 62 -2,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.564 99.1 -9.7 107.3-169.2 98.1 80.3 -9.4 44 48 A L - 0 0 156 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.529 51.5-153.6 -69.9 123.9 94.5 79.1 -8.5 45 49 A P S S+ 0 0 72 0, 0.0 -8,-2.1 0, 0.0 2,-0.3 0.743 72.1 69.6 -74.9 -19.8 94.6 76.7 -5.6 46 50 A X E +D 36 0A 111 -10,-0.2 2,-0.3 -12,-0.0 -10,-0.2 -0.748 60.2 174.8-101.3 147.3 91.3 74.9 -6.5 47 51 A S E -D 35 0A 47 -12,-3.4 -12,-2.8 -2,-0.3 2,-0.3 -0.929 18.0-149.2-142.5 164.1 90.9 72.6 -9.5 48 52 A T E +D 34 0A 92 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.937 15.9 178.5-132.6 157.3 88.3 70.2 -11.0 49 53 A R E -D 33 0A 74 -16,-1.3 -16,-3.4 -2,-0.3 -2,-0.0 -0.964 39.1 -90.8-161.1 141.0 88.8 67.1 -13.0 50 54 A L E >> -D 32 0A 40 -2,-0.3 4,-2.6 -18,-0.3 3,-0.8 -0.311 32.0-135.3 -55.0 130.5 86.6 64.5 -14.7 51 55 A L H 3> S+ 0 0 13 -20,-2.7 4,-2.2 1,-0.3 -1,-0.1 0.901 104.7 56.6 -55.3 -43.4 86.0 61.6 -12.3 52 56 A R H 34 S+ 0 0 157 -21,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.812 111.7 41.9 -61.2 -30.5 86.7 59.1 -15.0 53 57 A I H X4 S+ 0 0 42 -3,-0.8 3,-1.7 2,-0.2 -1,-0.2 0.889 110.6 55.9 -82.1 -41.1 90.1 60.6 -15.7 54 58 A W H 3< S+ 0 0 0 -4,-2.6 14,-0.7 1,-0.3 13,-0.2 0.870 106.9 52.6 -55.5 -38.6 90.9 61.0 -11.9 55 59 A N T 3< S+ 0 0 100 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.443 87.6 117.0 -79.2 -2.9 90.2 57.2 -11.5 56 60 A E < - 0 0 79 -3,-1.7 11,-2.9 -5,-0.1 2,-0.5 -0.272 64.1-129.0 -72.2 154.8 92.6 56.1 -14.3 57 61 A T E -E 66 0B 105 9,-0.3 2,-0.4 10,-0.1 -1,-0.1 -0.856 31.1-152.3 -98.2 132.3 95.7 54.0 -13.9 58 62 A V E -E 65 0B 15 7,-3.9 7,-2.0 -2,-0.5 2,-0.3 -0.905 12.6-125.1-117.9 141.0 98.7 55.8 -15.6 59 63 A D E +E 64 0B 143 -2,-0.4 2,-0.3 5,-0.2 0, 0.0 -0.634 41.6 166.1 -78.0 133.4 101.9 54.4 -17.2 60 64 A T E > -E 63 0B 26 3,-0.7 3,-1.8 -2,-0.3 -48,-0.0 -0.837 55.3 -98.3-139.0 175.4 105.0 55.9 -15.6 61 65 A G T 3 S+ 0 0 97 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.727 127.2 55.0 -68.4 -19.7 108.8 55.4 -15.5 62 66 A A T 3 S- 0 0 85 1,-0.4 -1,-0.3 3,-0.0 -3,-0.0 0.234 121.8-106.5 -95.3 11.9 108.0 53.8 -12.2 63 67 A G E < -E 60 0B 23 -3,-1.8 -3,-0.7 2,-0.1 -1,-0.4 -0.442 68.8 -13.1 93.8-171.3 105.5 51.4 -13.7 64 68 A P E S+E 59 0B 109 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.465 70.4 165.8 -69.3 133.6 101.6 51.4 -13.5 65 69 A Q E -E 58 0B 47 -7,-2.0 -7,-3.9 -2,-0.2 2,-0.1 -0.985 42.4-100.5-145.0 153.9 100.2 53.7 -10.8 66 70 A P E -E 57 0B 71 0, 0.0 -9,-0.3 0, 0.0 3,-0.2 -0.497 31.4-129.9 -71.2 147.6 96.8 55.2 -10.0 67 71 A R S S+ 0 0 34 -11,-2.9 -55,-2.4 1,-0.3 2,-0.4 0.939 98.6 13.8 -62.7 -43.6 96.7 58.8 -11.2 68 72 A F E S-B 11 0A 11 -14,-0.7 2,-0.5 -12,-0.3 -1,-0.3 -0.992 79.8-156.8-133.1 123.4 95.5 59.9 -7.8 69 73 A A E -B 10 0A 22 -59,-2.9 -59,-2.6 -2,-0.4 2,-0.2 -0.886 16.7-126.8-108.2 129.4 95.8 57.5 -4.8 70 74 A Y E +B 9 0A 70 -2,-0.5 -61,-0.2 -61,-0.2 3,-0.1 -0.487 32.2 167.6 -71.0 134.3 93.6 57.8 -1.7 71 75 A V E - 0 0 61 -63,-2.5 2,-0.3 1,-0.4 3,-0.3 0.291 47.7 -96.6-132.2 10.5 95.5 58.0 1.5 72 76 A G E -B 8 0A 11 -64,-0.6 -64,-2.7 1,-0.2 -1,-0.4 -0.821 57.6 -50.7 114.8-154.2 93.1 59.0 4.2 73 77 A H S S+ 0 0 31 -2,-0.3 2,-0.3 -66,-0.2 -1,-0.2 0.411 114.3 56.7-107.8 -0.9 92.2 62.3 5.8 74 78 A V S S- 0 0 90 -3,-0.3 -66,-0.1 -66,-0.1 -3,-0.0 -0.877 71.1-136.4-127.8 160.8 95.7 63.5 6.7 75 79 A T - 0 0 65 -2,-0.3 -2,-0.0 1,-0.1 2,-0.0 -0.751 27.3-108.5-111.7 159.0 98.9 64.0 4.6 76 80 A P 0 0 84 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.264 360.0 360.0 -81.6 176.4 102.4 62.9 5.6 77 81 A E 0 0 247 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.280 360.0 360.0 -61.2 360.0 105.3 65.1 6.7 78 !* 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 79 4 B A >> 0 0 88 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -41.7 86.9 57.5 13.8 80 5 B X G >4 + 0 0 59 1,-0.3 3,-1.4 2,-0.2 21,-0.1 0.905 360.0 54.5 -47.2 -52.3 88.6 59.9 11.4 81 6 B Q G 34 S+ 0 0 153 1,-0.3 -1,-0.3 -9,-0.0 -9,-0.0 0.788 110.3 46.7 -56.4 -30.8 89.8 57.1 9.2 82 7 B D G <4 S+ 0 0 132 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.552 86.0 111.7 -90.8 -7.6 86.3 55.7 8.8 83 8 B F << - 0 0 5 -3,-1.4 18,-0.1 -4,-0.9 -3,-0.0 -0.447 50.0-163.2 -68.9 136.0 84.7 59.1 8.0 84 9 B R - 0 0 63 -2,-0.2 14,-0.1 16,-0.1 67,-0.1 -0.960 11.6-140.4-122.3 114.2 83.4 59.4 4.5 85 10 B P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.388 57.6 82.3 -69.2 153.4 82.6 62.9 3.2 86 11 B G E S-F 98 0C 2 12,-1.1 12,-3.3 -81,-0.1 2,-0.4 -0.978 81.8 -16.8 149.6-159.3 79.5 63.2 1.1 87 12 B V E -FG 97 151C 5 64,-3.0 63,-2.8 -2,-0.3 64,-0.5 -0.654 57.0-175.0 -86.5 131.4 75.7 63.5 1.4 88 13 B Y E -FG 96 149C 17 8,-2.7 8,-2.6 -2,-0.4 2,-0.6 -0.952 21.6-140.2-125.5 145.4 74.2 62.7 4.8 89 14 B R E -FG 95 148C 111 59,-2.8 59,-2.8 -2,-0.4 6,-0.2 -0.932 22.9-139.4-105.9 116.6 70.6 62.5 5.9 90 15 B H E > - G 0 147C 21 4,-2.9 3,-2.5 -2,-0.6 57,-0.2 -0.425 28.6-107.8 -69.1 149.8 70.2 63.9 9.4 91 16 B Y T 3 S+ 0 0 74 55,-2.4 -1,-0.1 1,-0.3 56,-0.1 0.673 117.2 62.9 -57.8 -16.0 67.8 61.9 11.6 92 17 B K T 3 S- 0 0 144 54,-0.2 -1,-0.3 2,-0.1 54,-0.0 0.430 122.5 -98.0 -89.5 1.9 65.2 64.6 11.4 93 18 B G S < S+ 0 0 42 -3,-2.5 2,-0.1 1,-0.3 -2,-0.1 0.060 83.4 115.2 112.0 -28.8 64.9 64.2 7.6 94 19 B D - 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