==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN13-MAY-10 3N08 . COMPND 2 MOLECULE: PUTATIVE PHOSPHATIDYLETHANOLAMINE-BINDING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,O.ONOPRIYENKO,A.SAVCHENKO,W.F.ANDERS . 304 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 57.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 28.3 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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-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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.9 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 2 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 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 2 0 0 2 2 0 0 2 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 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 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 N 0 0 134 0, 0.0 3,-0.1 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 30.1 10.4 4.9 19.8 2 0 A A - 0 0 53 1,-0.1 34,-0.1 162,-0.1 141,-0.1 -0.309 360.0 -98.5 -64.4 141.9 7.8 2.9 17.8 3 1 A M - 0 0 9 139,-0.1 2,-0.3 32,-0.1 32,-0.2 -0.290 44.9-158.9 -54.7 142.4 8.2 2.8 14.0 4 2 A Q E -A 34 0A 96 30,-2.3 30,-2.3 139,-0.1 2,-0.4 -0.951 17.6-159.1-131.1 151.0 6.1 5.4 12.2 5 3 A L E +A 33 0A 5 -2,-0.3 2,-0.3 139,-0.3 28,-0.2 -0.998 28.0 161.0-125.7 122.0 4.7 5.8 8.7 6 4 A T E -A 32 0A 68 26,-2.3 26,-2.7 -2,-0.4 2,-0.3 -0.820 26.5-144.7-135.6 170.8 3.7 9.3 7.7 7 5 A S B > -C 10 0B 12 3,-0.5 3,-0.8 -2,-0.3 24,-0.2 -0.989 15.6-145.1-139.7 134.2 3.0 11.4 4.6 8 6 A Q T 3 S+ 0 0 167 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.775 102.6 60.8 -62.3 -23.5 3.6 15.1 3.9 9 7 A A T 3 S+ 0 0 26 21,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.701 117.6 4.0 -82.9 -20.0 0.4 15.0 1.9 10 8 A F B < -C 7 0B 9 -3,-0.8 -3,-0.5 6,-0.1 -1,-0.2 -0.938 63.9-129.8-164.5 143.3 -2.0 14.0 4.7 11 9 A S > - 0 0 88 -2,-0.3 3,-2.4 1,-0.2 -5,-0.0 -0.448 58.6 -62.1 -86.4 164.9 -2.1 13.4 8.4 12 10 A Y T 3 S+ 0 0 116 1,-0.3 135,-0.2 -2,-0.1 -1,-0.2 -0.199 123.7 5.5 -53.3 127.8 -3.6 10.3 9.9 13 11 A G T 3 S+ 0 0 26 133,-2.6 -1,-0.3 1,-0.3 134,-0.2 0.479 104.0 119.8 80.3 3.4 -7.3 10.0 9.1 14 12 A R E < S-d 147 0C 149 -3,-2.4 134,-1.9 132,-0.5 -1,-0.3 -0.544 73.2 -78.0 -98.5 165.1 -7.3 13.1 6.9 15 13 A P E -d 148 0C 71 0, 0.0 134,-0.2 0, 0.0 -4,-0.1 -0.382 38.6-128.1 -68.4 134.2 -8.3 13.3 3.2 16 14 A I - 0 0 4 132,-3.3 134,-0.2 -2,-0.1 -6,-0.1 -0.635 39.4-103.3 -71.5 127.7 -5.8 12.2 0.6 17 15 A P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.183 27.1-110.2 -59.2 152.2 -5.3 15.0 -1.9 18 16 A K G > S+ 0 0 130 1,-0.3 3,-1.8 2,-0.2 6,-0.6 0.741 110.2 68.4 -49.0 -36.3 -7.0 14.7 -5.3 19 17 A K G 3 S+ 0 0 90 1,-0.3 7,-1.9 5,-0.2 8,-1.2 0.722 97.8 52.4 -66.4 -21.5 -3.7 14.2 -7.3 20 18 A Y G < S+ 0 0 12 -3,-2.0 -1,-0.3 6,-0.2 2,-0.2 0.405 104.2 71.5 -92.4 1.2 -3.2 10.7 -5.7 21 19 A S S X S- 0 0 0 -3,-1.8 3,-1.7 -4,-0.2 5,-0.4 -0.558 101.1 -96.1-105.8 176.3 -6.7 9.5 -6.7 22 20 A a T 3 S+ 0 0 47 78,-2.9 79,-0.1 1,-0.3 -3,-0.1 0.676 118.7 70.4 -65.8 -18.6 -8.2 8.6 -10.0 23 21 A Q T 3 S+ 0 0 86 77,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.609 110.4 27.1 -77.6 -9.6 -9.6 12.2 -10.1 24 22 A G S < S- 0 0 34 -3,-1.7 -5,-0.2 -6,-0.6 -4,-0.1 -0.400 122.9 -54.9-123.1-152.3 -6.1 13.5 -10.7 25 23 A V - 0 0 112 -2,-0.2 -5,-0.1 1,-0.1 -6,-0.1 0.803 68.2-136.0 -63.3 -26.7 -2.9 12.1 -12.2 26 24 A G + 0 0 14 -7,-1.9 -6,-0.2 -5,-0.4 -4,-0.1 0.767 43.1 158.3 81.4 27.8 -3.2 9.2 -9.7 27 25 A I - 0 0 46 -8,-1.2 -1,-0.2 -6,-0.1 52,-0.1 -0.390 50.0 -88.7 -80.0 161.1 0.4 8.9 -8.6 28 26 A S - 0 0 9 53,-0.1 52,-2.0 1,-0.1 53,-0.2 -0.383 47.5-112.3 -66.3 144.5 1.5 7.3 -5.3 29 27 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 52,-0.1 -0.386 35.2 -94.5 -77.2 155.2 1.5 9.6 -2.3 30 28 A P - 0 0 12 0, 0.0 -21,-0.4 0, 0.0 2,-0.3 -0.463 47.1-171.6 -63.6 141.2 4.7 10.6 -0.6 31 29 A L E - B 0 77A 1 46,-2.2 46,-2.7 -24,-0.2 2,-0.4 -0.993 11.5-161.4-137.3 144.9 5.6 8.4 2.4 32 30 A S E -AB 6 76A 26 -26,-2.7 -26,-2.3 -2,-0.3 2,-0.4 -0.986 5.3-154.3-129.3 139.9 8.2 8.6 5.2 33 31 A F E -A 5 0A 13 42,-3.3 2,-0.3 -2,-0.4 -28,-0.2 -0.928 16.5-177.0-110.6 131.7 9.4 5.8 7.5 34 32 A S E +A 4 0A 48 -30,-2.3 -30,-2.3 -2,-0.4 -2,-0.0 -0.972 57.4 12.3-131.7 149.4 10.8 6.7 10.9 35 33 A D + 0 0 96 -2,-0.3 -1,-0.1 -32,-0.2 -32,-0.1 0.874 68.9 177.4 57.0 41.6 12.4 4.6 13.7 36 34 A V - 0 0 32 36,-0.1 -1,-0.2 -3,-0.1 7,-0.0 -0.634 40.8-100.8 -67.5 130.2 12.8 1.5 11.7 37 35 A P > - 0 0 17 0, 0.0 3,-2.0 0, 0.0 129,-0.1 -0.230 21.9-123.3 -59.7 145.9 14.5 -1.0 14.1 38 36 A R T 3 S+ 0 0 145 1,-0.3 128,-0.1 127,-0.3 -2,-0.1 0.806 109.4 62.2 -54.4 -34.3 18.2 -1.5 13.5 39 37 A E T 3 S+ 0 0 65 126,-0.1 -1,-0.3 101,-0.1 2,-0.2 0.514 78.1 115.8 -73.8 -8.9 17.7 -5.2 13.1 40 38 A A < + 0 0 10 -3,-2.0 77,-0.3 1,-0.1 3,-0.1 -0.463 37.9 179.2 -67.3 134.5 15.5 -4.7 10.0 41 39 A K + 0 0 127 75,-2.9 2,-0.3 1,-0.3 76,-0.2 0.538 70.0 5.3-104.0 -16.2 16.8 -6.1 6.7 42 40 A S E -E 116 0C 2 74,-1.4 74,-2.6 29,-0.2 2,-0.3 -0.983 62.2-133.9-158.3 163.3 13.9 -5.0 4.6 43 41 A L E -EF 115 70C 0 27,-1.8 27,-2.3 -2,-0.3 2,-0.4 -0.944 13.7-159.6-119.6 152.5 10.6 -3.0 4.6 44 42 A V E -E 114 0C 0 70,-2.4 70,-2.6 -2,-0.3 2,-0.4 -0.968 0.5-161.8-128.6 140.1 7.2 -4.0 3.2 45 43 A L E +EF 113 67C 0 22,-2.8 22,-2.6 -2,-0.4 2,-0.4 -0.995 8.5 178.6-123.2 130.1 4.3 -1.7 2.3 46 44 A I E -EF 112 66C 0 66,-2.5 66,-3.1 -2,-0.4 2,-0.5 -0.995 6.0-171.8-128.4 125.4 0.7 -3.0 1.9 47 45 A V E +EF 111 65C 3 18,-2.7 17,-2.2 -2,-0.4 18,-1.5 -0.971 15.8 163.2-119.6 128.5 -2.0 -0.4 1.1 48 46 A E E -EF 110 63C 8 62,-2.5 62,-2.7 -2,-0.5 15,-0.2 -0.968 35.0-136.3-150.2 160.9 -5.7 -1.5 1.1 49 47 A D E > - F 0 62C 5 13,-2.6 13,-2.2 -2,-0.3 3,-0.9 -0.935 12.9-179.2-121.6 105.2 -9.3 -0.3 1.2 50 48 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 59,-0.1 0.459 80.3 68.3 -83.9 4.2 -11.6 -2.2 3.5 51 49 A D T 3 + 0 0 41 57,-0.5 10,-0.1 11,-0.1 58,-0.1 0.194 65.7 135.6-107.2 12.2 -14.5 0.1 2.5 52 50 A V S < S- 0 0 11 -3,-0.9 5,-0.0 8,-0.4 55,-0.0 -0.318 73.6 -93.2 -58.1 138.2 -14.7 -1.2 -1.1 53 51 A P >> - 0 0 14 0, 0.0 4,-2.0 0, 0.0 3,-2.0 -0.415 31.1-140.0 -57.8 125.1 -18.4 -1.8 -2.0 54 52 A P T 34 S+ 0 0 96 0, 0.0 6,-0.2 0, 0.0 7,-0.1 0.741 100.2 66.5 -65.8 -16.5 -19.0 -5.5 -1.2 55 53 A S T 34 S+ 0 0 118 1,-0.2 3,-0.2 2,-0.1 -3,-0.0 0.683 109.9 37.8 -69.8 -19.6 -21.1 -5.8 -4.3 56 54 A V T <4 S+ 0 0 94 -3,-2.0 2,-0.4 1,-0.3 -1,-0.2 0.806 132.2 23.4 -95.9 -41.3 -17.9 -5.3 -6.3 57 55 A R >< - 0 0 91 -4,-2.0 3,-1.8 1,-0.1 -1,-0.3 -0.932 67.2-160.1-133.9 106.1 -15.5 -7.2 -4.0 58 56 A E T 3 S+ 0 0 189 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.812 90.0 55.6 -57.4 -39.6 -17.2 -9.9 -1.8 59 57 A D T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.1 3,-0.0 0.484 105.0-128.5 -79.2 -0.6 -14.3 -10.2 0.7 60 58 A G S < S+ 0 0 20 -3,-1.8 2,-0.4 -6,-0.2 -8,-0.4 0.658 73.7 100.8 70.5 19.5 -14.6 -6.4 1.4 61 59 A L - 0 0 38 -10,-0.1 2,-0.5 -8,-0.1 -2,-0.1 -0.944 47.0-170.2-143.5 118.3 -10.9 -5.6 0.9 62 60 A W E -F 49 0C 54 -13,-2.2 -13,-2.6 -2,-0.4 2,-0.6 -0.922 17.8-141.8-111.2 122.8 -9.3 -4.1 -2.2 63 61 A I E +F 48 0C 12 -2,-0.5 28,-2.5 -15,-0.2 29,-0.4 -0.727 20.6 177.0 -87.0 118.0 -5.4 -4.0 -2.3 64 62 A H E + 0 0 10 -17,-2.2 34,-2.2 -2,-0.6 2,-0.3 0.687 64.6 10.7 -93.1 -22.6 -4.1 -0.8 -3.9 65 63 A W E -F 47 0C 2 -18,-1.5 -18,-2.7 32,-0.2 2,-0.4 -0.925 50.7-172.8-162.9 135.7 -0.3 -1.3 -3.5 66 64 A I E +F 46 0C 0 22,-0.4 22,-2.5 -2,-0.3 2,-0.4 -0.996 16.0 165.6-128.6 118.4 2.1 -4.1 -2.6 67 65 A V E +FG 45 87C 0 -22,-2.6 -22,-2.8 -2,-0.4 2,-0.3 -0.999 6.3 169.7-131.0 134.8 5.9 -3.2 -2.2 68 66 A Y E + G 0 86C 5 18,-2.7 18,-2.8 -2,-0.4 -24,-0.2 -0.929 53.4 40.1-139.0 169.7 8.4 -5.5 -0.6 69 67 A N E S+ 0 0 30 -2,-0.3 -25,-0.2 -26,-0.2 2,-0.1 0.759 70.5 162.8 59.2 30.9 12.2 -5.7 -0.2 70 68 A L E -F 43 0C 2 -27,-2.3 -27,-1.8 -3,-0.1 -1,-0.2 -0.468 50.9 -97.2 -63.4 144.1 12.4 -1.9 0.3 71 69 A S > - 0 0 53 13,-0.4 3,-1.9 -29,-0.2 4,-0.2 -0.434 26.2-131.2 -59.3 138.6 15.7 -0.9 1.9 72 70 A P T 3 S+ 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.667 110.1 48.0 -70.0 -12.3 15.3 -0.5 5.6 73 71 A V T 3 S+ 0 0 124 1,-0.1 3,-0.1 -30,-0.0 -2,-0.1 0.150 73.6 115.6-106.3 19.7 17.0 2.8 5.3 74 72 A V < - 0 0 44 -3,-1.9 2,-2.4 1,-0.2 -1,-0.1 0.804 51.7-171.3 -58.7 -30.3 14.9 4.0 2.4 75 73 A S - 0 0 62 -3,-0.2 -42,-3.3 -4,-0.2 2,-0.3 -0.284 55.1 -1.8 75.5 -51.5 13.6 6.7 4.7 76 74 A N E -B 32 0A 79 -2,-2.4 2,-0.4 -44,-0.3 -44,-0.2 -0.967 54.9-133.7-161.0 167.8 11.0 7.9 2.3 77 75 A L E -B 31 0A 12 -46,-2.7 -46,-2.2 -2,-0.3 3,-0.1 -0.990 29.1-135.1-131.9 121.5 9.3 7.5 -1.1 78 76 A A > - 0 0 58 -2,-0.4 3,-2.1 -48,-0.2 -50,-0.1 -0.300 44.2 -73.9 -70.9 161.4 8.6 10.7 -3.1 79 77 A E T 3 S- 0 0 84 1,-0.3 -1,-0.2 -49,-0.1 -52,-0.0 -0.315 119.9 -0.6 -56.2 134.2 5.3 11.2 -4.8 80 78 A G T 3 S+ 0 0 39 -52,-2.0 -1,-0.3 1,-0.2 3,-0.1 0.741 98.5 179.6 57.8 25.4 5.1 8.9 -7.8 81 79 A A < - 0 0 25 -3,-2.1 2,-0.3 -53,-0.2 -1,-0.2 -0.175 37.9-110.3 -61.8 145.1 8.6 7.7 -7.1 82 80 A Q - 0 0 155 1,-0.0 2,-0.5 2,-0.0 -4,-0.2 -0.606 44.3-130.8 -63.5 131.3 10.5 5.2 -9.2 83 81 A I - 0 0 24 -2,-0.3 2,-1.0 2,-0.1 4,-0.1 -0.856 20.4-164.1-101.3 121.2 10.5 2.3 -6.8 84 82 A F S S+ 0 0 160 -2,-0.5 -13,-0.4 2,-0.1 2,-0.3 -0.674 71.7 63.6-103.0 72.3 13.8 0.4 -6.0 85 83 A A S S- 0 0 30 -2,-1.0 2,-0.5 -15,-0.1 -16,-0.2 -0.886 98.7 -69.2-171.1-174.9 12.1 -2.6 -4.5 86 84 A V E -G 68 0C 20 -18,-2.8 -18,-2.7 -2,-0.3 2,-0.4 -0.826 40.3-154.3-102.1 128.3 9.7 -5.3 -5.7 87 85 A Q E -G 67 0C 59 -2,-0.5 39,-0.3 -20,-0.2 38,-0.3 -0.794 12.7-161.6 -99.1 139.4 6.2 -4.3 -6.5 88 86 A G - 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