==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 11-JAN-99 1B52 . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,A.J.WILKINSON . 518 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.3 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 1 2 1 1 3 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 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 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 2 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 . 2 0 1 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 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 A 0 0 11 0, 0.0 2,-0.4 0, 0.0 509,-0.1 0.000 360.0 360.0 360.0 157.4 17.7 28.3 36.2 2 2 A D - 0 0 129 508,-0.4 494,-0.1 510,-0.0 510,-0.1 -0.793 360.0-162.9-132.5 86.3 20.2 25.6 37.3 3 3 A V - 0 0 52 -2,-0.4 2,-0.4 1,-0.1 3,-0.0 -0.525 29.1-116.1 -73.0 128.8 23.3 27.2 38.7 4 4 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.672 36.0-101.8 -68.7 123.8 26.1 24.6 38.7 5 5 A A T 3 S+ 0 0 115 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.231 109.3 40.6 -49.0 126.8 27.2 23.8 42.3 6 6 A G T 3 S+ 0 0 77 1,-0.4 -1,-0.3 -3,-0.0 2,-0.2 0.040 87.1 108.2 119.7 -22.7 30.4 25.7 42.7 7 7 A V < - 0 0 61 -3,-2.0 2,-0.6 1,-0.0 -1,-0.4 -0.536 62.7-123.5 -94.6 158.5 29.8 29.1 41.0 8 8 A Q - 0 0 132 -2,-0.2 507,-4.3 507,-0.1 2,-0.4 -0.853 18.3-142.4-105.6 119.1 29.3 32.5 42.5 9 9 A L B -A 514 0A 62 -2,-0.6 505,-0.3 505,-0.3 4,-0.1 -0.570 25.6-112.4 -77.9 123.7 26.2 34.5 41.7 10 10 A A - 0 0 16 503,-2.2 505,-0.1 -2,-0.4 -1,-0.1 0.099 18.1-122.0 -49.2 160.7 26.5 38.3 41.4 11 11 A D S S+ 0 0 152 1,-0.1 2,-0.5 503,-0.1 -1,-0.1 0.955 102.9 51.8 -71.7 -47.4 25.0 40.6 43.9 12 12 A K S S- 0 0 156 2,-0.1 2,-0.8 1,-0.0 -1,-0.1 -0.813 72.5-160.8 -95.6 125.3 23.0 42.3 41.2 13 13 A Q + 0 0 13 -2,-0.5 206,-2.7 204,-0.1 207,-1.5 -0.727 40.3 129.6-110.7 83.0 20.9 40.0 39.0 14 14 A T E -b 220 0B 43 -2,-0.8 2,-0.4 204,-0.2 207,-0.2 -0.979 34.7-164.5-137.5 146.5 20.1 42.1 36.0 15 15 A L E -b 221 0B 2 205,-1.5 207,-2.7 -2,-0.3 2,-0.5 -0.991 6.8-158.9-141.0 132.1 20.4 41.6 32.2 16 16 A V E -b 222 0B 32 -2,-0.4 227,-1.5 205,-0.2 226,-1.4 -0.936 18.1-177.5-111.1 123.0 20.3 43.9 29.2 17 17 A R E -bc 223 243B 2 205,-3.3 207,-3.3 -2,-0.5 2,-0.3 -0.961 25.3-132.7-124.8 139.4 19.5 42.4 25.9 18 18 A N E -b 224 0B 3 225,-2.4 228,-0.1 -2,-0.4 205,-0.0 -0.676 16.2-169.4 -84.5 136.5 19.3 43.9 22.4 19 19 A N - 0 0 3 205,-3.1 2,-0.6 -2,-0.3 -1,-0.1 0.194 35.8-121.5-112.4 9.8 16.0 42.8 20.6 20 20 A G S S- 0 0 12 206,-0.3 2,-0.3 208,-0.1 212,-0.1 0.042 77.1 -5.0 74.1 -25.2 16.9 44.1 17.2 21 21 A S S S- 0 0 15 -2,-0.6 2,-0.2 203,-0.4 205,-0.2 -0.972 92.6 -59.3 179.2 170.8 13.8 46.4 16.8 22 22 A E - 0 0 30 203,-0.4 375,-0.3 -2,-0.3 14,-0.1 -0.549 61.3-111.6 -68.0 127.9 10.6 47.6 18.3 23 23 A V - 0 0 7 -2,-0.2 3,-0.1 12,-0.1 -1,-0.1 -0.292 12.3-129.6 -59.4 150.6 8.1 44.7 18.9 24 24 A Q S S- 0 0 37 1,-0.2 2,-0.3 372,-0.0 -1,-0.1 0.770 79.7 -45.2 -64.4 -36.7 4.9 44.6 16.8 25 25 A S - 0 0 21 155,-0.0 -1,-0.2 3,-0.0 0, 0.0 -0.926 42.4-121.3-179.3 176.3 2.9 44.2 20.0 26 26 A L S S+ 0 0 10 -2,-0.3 5,-0.1 -3,-0.1 17,-0.0 0.266 77.3 108.7-121.7 3.8 3.0 42.1 23.2 27 27 A D S > S- 0 0 7 1,-0.1 3,-2.3 3,-0.1 4,-0.2 -0.785 70.2-138.7 -82.0 125.3 -0.4 40.4 22.6 28 28 A P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.683 99.3 55.6 -57.9 -27.1 0.4 36.8 21.8 29 29 A H G 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.509 106.1 51.8 -85.0 -5.4 -2.2 36.6 19.0 30 30 A K G < S+ 0 0 79 -3,-2.3 2,-0.3 77,-0.2 -1,-0.2 0.194 91.9 89.2-112.6 7.5 -0.8 39.7 17.2 31 31 A I < + 0 0 4 -3,-0.5 78,-0.1 -4,-0.2 -5,-0.0 -0.733 30.3 161.7-111.6 159.9 2.9 38.8 16.8 32 32 A E + 0 0 8 -2,-0.3 487,-2.5 487,-0.1 2,-0.2 0.481 49.2 90.0-144.3 -7.5 4.9 36.9 14.2 33 33 A G B > S-g 519 0C 0 485,-0.2 4,-2.0 1,-0.1 487,-0.2 -0.529 75.1-115.4-104.2 173.9 8.6 37.8 14.6 34 34 A V H > S+ 0 0 5 485,-2.3 4,-2.0 1,-0.2 5,-0.2 0.908 114.4 49.6 -68.3 -44.3 11.7 36.7 16.5 35 35 A P H > S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.936 112.0 48.5 -60.8 -42.9 12.0 39.9 18.5 36 36 A E H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.861 111.5 50.5 -66.3 -38.1 8.4 39.7 19.6 37 37 A S H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.739 102.6 60.0 -68.3 -32.1 8.8 36.0 20.5 38 38 A N H X S+ 0 0 2 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.889 113.6 36.8 -59.4 -41.6 11.9 36.7 22.6 39 39 A V H >X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 3,-0.7 0.865 112.9 59.9 -75.2 -38.7 9.9 39.0 24.9 40 40 A S H 3X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.3 3,-0.3 0.842 98.5 56.7 -62.6 -37.4 6.8 36.8 24.6 41 41 A R H 3< S+ 0 0 13 -4,-2.1 149,-0.4 1,-0.2 -1,-0.3 0.750 105.9 50.5 -71.1 -23.3 8.5 33.8 26.1 42 42 A D H << S+ 0 0 2 -3,-0.7 149,-1.6 -4,-0.6 -1,-0.2 0.827 120.3 36.1 -83.5 -20.7 9.5 35.7 29.3 43 43 A L H < S+ 0 0 0 -4,-1.3 146,-2.3 -3,-0.3 145,-1.5 0.786 117.9 37.1 -96.6 -36.4 5.9 36.9 29.7 44 44 A F < - 0 0 5 -4,-2.4 2,-0.4 144,-0.2 -1,-0.2 -0.986 59.2-165.7-127.7 134.8 3.5 34.1 28.6 45 45 A E - 0 0 8 -2,-0.4 4,-0.1 121,-0.1 115,-0.1 -0.971 7.2-167.8-119.6 134.4 3.8 30.3 29.1 46 46 A G - 0 0 4 2,-0.4 14,-2.6 -2,-0.4 15,-0.3 -0.054 51.4 -63.3-104.7-152.2 1.8 27.7 27.2 47 47 A L S S+ 0 0 2 117,-0.3 12,-2.2 13,-0.2 14,-1.8 0.903 119.2 19.0 -59.6 -47.7 1.3 24.0 27.8 48 48 A L E -N 58 0D 1 111,-0.6 -2,-0.4 10,-0.2 2,-0.2 -0.943 62.7-168.2-124.7 150.2 5.0 23.2 27.0 49 49 A I E -N 57 0D 10 8,-2.2 8,-3.2 -2,-0.3 2,-0.3 -0.733 32.1-103.1-123.3 170.4 8.3 25.2 27.0 50 50 A S E -N 56 0D 4 6,-0.2 2,-0.1 -2,-0.2 451,-0.0 -0.757 30.7-133.3 -94.3 148.0 11.7 24.2 25.6 51 51 A D > - 0 0 58 4,-2.2 3,-1.8 -2,-0.3 454,-0.1 -0.240 45.8 -77.5 -83.9-169.3 14.5 23.1 28.0 52 52 A V T 3 S+ 0 0 72 1,-0.3 448,-0.3 2,-0.1 446,-0.2 0.593 132.8 47.9 -73.8 -9.0 18.0 24.5 27.7 53 53 A E T 3 S- 0 0 114 2,-0.1 -1,-0.3 447,-0.1 -3,-0.0 0.158 124.5 -96.4-106.4 8.7 18.8 22.2 24.8 54 54 A G S < S+ 0 0 21 -3,-1.8 -2,-0.1 1,-0.3 452,-0.0 0.555 76.0 141.6 90.6 6.5 15.7 22.9 22.8 55 55 A H - 0 0 101 1,-0.1 -4,-2.2 446,-0.0 -1,-0.3 -0.650 59.3-106.1 -88.4 140.9 13.5 19.9 23.9 56 56 A P E +N 50 0D 36 0, 0.0 -6,-0.2 0, 0.0 101,-0.1 -0.420 51.3 171.8 -58.5 132.5 9.8 20.3 24.6 57 57 A S E -N 49 0D 23 -8,-3.2 -8,-2.2 -2,-0.1 4,-0.1 -0.898 39.7 -64.8-142.6 166.2 9.2 20.2 28.4 58 58 A P E +N 48 0D 45 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.282 53.9 158.2 -63.0 132.6 6.5 20.8 30.8 59 59 A G S S- 0 0 0 -12,-2.2 -12,-0.2 2,-0.7 -11,-0.2 0.018 79.3 -23.3-115.1-121.2 5.1 24.3 30.9 60 60 A V S S+ 0 0 1 -14,-2.6 17,-2.6 -2,-0.1 2,-0.3 0.853 131.5 74.9 -61.8 -35.6 1.6 25.0 32.3 61 61 A A E -O 76 0E 0 -14,-1.8 -2,-0.7 -15,-0.3 15,-0.3 -0.564 62.8-170.4 -79.0 139.0 0.9 21.3 31.4 62 62 A E E S- 0 0 83 13,-3.6 2,-0.3 1,-0.4 14,-0.2 0.793 72.6 -1.8 -97.4 -28.3 2.5 18.8 33.8 63 63 A K E -O 75 0E 119 12,-1.3 12,-2.6 2,-0.0 -1,-0.4 -0.980 63.4-169.0-158.8 155.1 1.7 15.7 31.7 64 64 A W E -O 74 0E 57 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.972 1.4-167.7-151.4 151.6 -0.0 15.0 28.5 65 65 A E E -O 73 0E 90 8,-2.1 8,-2.2 -2,-0.3 2,-0.3 -0.921 7.6-149.6-132.2 168.9 -1.2 11.8 26.7 66 66 A N E -O 72 0E 66 -2,-0.3 2,-0.7 6,-0.2 6,-0.2 -0.991 12.6-143.8-143.3 156.3 -2.4 11.0 23.2 67 67 A K E >> S-O 71 0E 142 4,-2.0 3,-1.5 -2,-0.3 4,-0.7 -0.866 91.1 -31.6-116.2 98.0 -4.7 8.6 21.5 68 68 A D T 34 S- 0 0 113 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.787 107.1 -74.5 68.7 21.5 -3.2 7.7 18.1 69 69 A F T 34 S+ 0 0 86 2,-0.2 83,-2.3 82,-0.2 -1,-0.3 0.693 126.5 92.7 65.7 19.0 -1.7 11.2 18.0 70 70 A K T <4 S+ 0 0 89 -3,-1.5 78,-2.6 1,-0.3 2,-0.5 0.714 80.2 40.9-111.3 -32.3 -5.2 12.4 17.2 71 71 A V E < S-OP 67 147E 42 -4,-0.7 -4,-2.0 76,-0.2 2,-0.4 -0.983 71.8-164.7-128.4 117.9 -6.6 13.3 20.6 72 72 A W E -OP 66 146E 4 74,-2.7 74,-4.2 -2,-0.5 2,-0.5 -0.923 4.1-163.3-111.5 136.8 -4.3 15.1 23.0 73 73 A T E -OP 65 145E 30 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.5 -0.991 3.1-166.6-124.8 121.0 -4.9 15.5 26.7 74 74 A F E -OP 64 144E 0 70,-3.5 70,-3.6 -2,-0.5 2,-0.6 -0.932 6.6-157.7-113.6 131.8 -3.1 18.1 28.8 75 75 A H E -OP 63 143E 60 -12,-2.6 -13,-3.6 -2,-0.5 -12,-1.3 -0.949 18.8-145.8-110.7 107.5 -3.1 18.0 32.5 76 76 A L E -O 61 0E 2 66,-1.9 -15,-0.2 -2,-0.6 2,-0.2 -0.409 21.0-104.3 -79.7 146.9 -2.3 21.4 33.9 77 77 A R > - 0 0 31 -17,-2.6 3,-1.4 -18,-0.1 -1,-0.1 -0.530 26.0-131.6 -70.9 135.4 -0.4 21.9 37.1 78 78 A E T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.714 101.0 54.8 -58.0 -31.0 -2.7 22.9 40.0 79 79 A N T 3 S+ 0 0 75 8,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.332 71.8 132.9 -90.0 6.7 -0.5 25.9 41.1 80 80 A A < - 0 0 3 -3,-1.4 8,-2.3 8,-0.2 2,-0.4 -0.387 36.7-174.9 -62.3 119.9 -0.3 27.7 37.7 81 81 A K B -R 87 0F 61 128,-0.4 130,-0.2 -2,-0.3 5,-0.1 -0.940 28.8-133.5-130.2 147.9 -1.0 31.4 38.4 82 82 A W > - 0 0 2 4,-2.9 3,-1.0 -2,-0.4 106,-0.2 -0.336 46.3-100.5 -74.8 161.8 -1.5 34.5 36.5 83 83 A S T 3 S+ 0 0 29 104,-2.6 2,-0.8 1,-0.3 105,-0.1 0.889 122.3 65.7 -64.2 -29.1 0.5 37.5 37.9 84 84 A D T 3 S- 0 0 77 103,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.103 121.0-106.8 -73.8 18.5 -2.8 38.7 39.6 85 85 A G S < S+ 0 0 33 -3,-1.0 -1,-0.2 -2,-0.8 -2,-0.1 0.345 81.7 131.1 67.3 -7.8 -2.7 35.6 41.8 86 86 A T - 0 0 56 1,-0.1 -4,-2.9 -5,-0.1 2,-0.4 -0.243 62.0-101.4 -73.0 159.4 -5.6 34.1 39.8 87 87 A P B -R 81 0F 79 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.659 17.2-134.9 -88.5 136.6 -5.4 30.6 38.5 88 88 A V + 0 0 2 -8,-2.3 2,-0.2 -2,-0.4 -8,-0.2 -0.713 38.1 171.0 -78.1 117.0 -4.6 29.6 34.9 89 89 A T >> - 0 0 16 -2,-0.5 4,-0.9 1,-0.0 3,-0.8 -0.735 50.8 -92.8-122.5-177.7 -7.1 26.8 34.0 90 90 A A H 3> S+ 0 0 0 51,-1.4 4,-2.6 1,-0.2 5,-0.1 0.723 120.7 66.2 -63.9 -24.8 -8.0 25.0 30.8 91 91 A H H 3> S+ 0 0 88 2,-0.2 4,-2.6 50,-0.2 -1,-0.2 0.830 94.7 58.6 -66.0 -32.2 -10.7 27.6 30.1 92 92 A D H <> S+ 0 0 23 -3,-0.8 4,-2.2 2,-0.2 75,-0.5 0.921 109.7 44.2 -61.6 -38.2 -8.0 30.1 29.6 93 93 A F H X S+ 0 0 0 -4,-0.9 4,-2.7 2,-0.2 5,-0.4 0.918 111.8 51.5 -72.9 -43.9 -6.7 27.8 26.9 94 94 A V H X S+ 0 0 22 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.936 114.6 43.2 -56.5 -49.8 -10.1 27.3 25.3 95 95 A Y H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.925 114.0 52.3 -60.0 -51.5 -10.7 31.0 25.2 96 96 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.942 110.8 43.5 -54.0 -51.4 -7.2 31.8 23.9 97 97 A W H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.802 111.6 57.2 -71.4 -26.1 -7.2 29.3 21.0 98 98 A Q H X S+ 0 0 41 -4,-1.4 4,-1.4 -5,-0.4 -1,-0.3 0.932 107.8 46.5 -68.3 -44.4 -10.7 30.5 20.2 99 99 A R H >< S+ 0 0 40 -4,-2.2 3,-0.5 2,-0.2 6,-0.4 0.962 111.4 51.2 -63.5 -46.3 -9.5 34.1 19.9 100 100 A L H 3< S+ 0 0 0 -4,-2.4 7,-0.4 1,-0.3 -1,-0.2 0.913 113.1 46.6 -54.9 -44.2 -6.4 33.1 17.7 101 101 A A H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.745 91.0 101.6 -68.6 -33.4 -8.7 31.2 15.4 102 102 A D XX - 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