==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-JAN-03 1NQE . COMPND 2 MOLECULE: VITAMIN B12 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.P.CHIMENTO,A.K.MOHANTY,R.J.KADNER,M.C.WIENER . 549 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 307 55.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 . 44 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 3 1 3 2 3 1 0 4 4 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 6 A D 0 0 112 0, 0.0 13,-0.0 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 157.1 -12.1 60.3 35.3 2 7 A T + 0 0 100 11,-0.1 12,-2.4 12,-0.1 2,-0.3 0.847 360.0 67.8 -73.1 -46.5 -9.4 59.6 38.0 3 8 A L E +A 13 0A 72 10,-0.2 2,-0.3 11,-0.1 8,-0.1 -0.685 55.9 179.2 -88.5 133.9 -7.3 56.7 36.7 4 9 A V E -A 12 0A 0 8,-2.7 8,-2.2 -2,-0.3 4,-0.1 -0.902 20.8-170.6-121.1 159.8 -5.0 57.0 33.6 5 10 A V S > S+ 0 0 45 -2,-0.3 4,-1.8 6,-0.2 3,-0.3 0.467 72.3 82.1-115.5 -7.8 -2.6 54.4 31.9 6 11 A T T 4 S+ 0 0 0 1,-0.2 99,-0.1 2,-0.2 5,-0.1 0.666 77.4 64.6 -83.9 -18.7 -0.8 56.7 29.5 7 12 A A T 4 S- 0 0 1 3,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.917 132.2 -3.8 -73.1 -38.9 1.8 58.2 31.8 8 13 A N T 4 S- 0 0 14 2,-0.4 -2,-0.2 -3,-0.3 -1,-0.1 0.270 101.4-101.4-138.6 14.7 3.6 54.9 32.4 9 14 A R S < S+ 0 0 17 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.151 97.3 81.1 87.8 -16.6 1.5 52.4 30.6 10 15 A F S S- 0 0 17 250,-0.1 -2,-0.4 1,-0.1 -1,-0.2 -0.834 91.9 -79.8-123.9 156.1 -0.1 51.1 33.8 11 16 A E + 0 0 115 -2,-0.3 -6,-0.2 -3,-0.1 -8,-0.1 -0.273 56.8 150.9 -55.4 133.2 -3.0 52.4 35.9 12 17 A Q E -A 4 0A 15 -8,-2.2 -8,-2.7 -10,-0.0 -5,-0.1 -0.978 49.1 -93.3-157.3 153.9 -2.4 55.3 38.3 13 18 A P E > -A 3 0A 54 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.418 32.1-128.7 -63.4 139.8 -4.4 58.2 39.8 14 19 A R G > S+ 0 0 73 -12,-2.4 3,-1.9 1,-0.3 -11,-0.1 0.823 106.8 67.5 -57.8 -31.7 -4.1 61.4 37.8 15 20 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -13,-0.2 -12,-0.1 0.719 98.8 52.9 -62.9 -18.5 -3.1 63.2 41.0 16 21 A T G < S+ 0 0 11 -3,-1.6 2,-0.7 287,-0.0 -1,-0.3 0.420 87.6 88.9 -98.5 -6.1 0.0 61.2 41.0 17 22 A V < - 0 0 3 -3,-1.9 4,-0.1 -4,-0.2 286,-0.0 -0.896 61.7-163.1 -89.9 122.1 1.0 62.1 37.4 18 23 A L + 0 0 0 -2,-0.7 -1,-0.1 2,-0.1 315,-0.1 0.757 66.0 83.3 -81.1 -23.9 3.0 65.3 37.7 19 24 A A S S- 0 0 10 1,-0.1 2,-0.1 -3,-0.1 88,-0.1 -0.503 98.8 -90.2 -73.9 152.1 2.7 66.2 34.0 20 25 A P - 0 0 3 0, 0.0 86,-2.3 0, 0.0 2,-0.4 -0.383 53.8-169.6 -64.5 134.4 -0.5 68.1 33.0 21 26 A T E -B 105 0B 19 84,-0.2 2,-0.4 -4,-0.1 84,-0.2 -0.955 18.5-168.6-133.4 146.1 -3.1 65.7 32.0 22 27 A T E -B 104 0B 21 82,-2.9 82,-2.8 -2,-0.4 2,-0.5 -0.994 5.9-163.3-132.9 137.6 -6.5 65.7 30.4 23 28 A V E -B 103 0B 15 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.978 1.9-169.3-122.2 130.3 -9.1 63.0 30.2 24 29 A V E -B 102 0B 2 78,-2.7 78,-2.5 -2,-0.5 2,-0.2 -0.953 11.0-160.1-113.9 132.4 -12.0 62.8 27.8 25 30 A T E > -B 101 0B 16 -2,-0.4 4,-2.0 76,-0.2 3,-0.3 -0.670 32.3-112.2-105.1 165.1 -14.7 60.1 28.2 26 31 A R H > S+ 0 0 56 74,-1.1 4,-3.2 1,-0.2 5,-0.2 0.873 120.3 59.4 -60.6 -39.0 -17.3 58.8 25.8 27 32 A Q H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 106.4 48.7 -54.6 -40.9 -20.0 60.5 27.9 28 33 A D H > S+ 0 0 46 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.939 111.8 48.3 -63.9 -48.5 -18.2 63.7 27.2 29 34 A I H X>S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 5,-1.0 0.904 110.2 51.3 -63.1 -39.8 -18.0 63.0 23.5 30 35 A D H <5S+ 0 0 41 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.8 47.2 -64.5 -42.5 -21.7 62.1 23.3 31 36 A R H <5S+ 0 0 29 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 112.3 48.1 -65.0 -45.9 -22.7 65.3 25.0 32 37 A W H <5S- 0 0 28 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.730 99.0-141.1 -67.3 -23.1 -20.5 67.5 22.8 33 38 A Q T <5 - 0 0 17 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.802 30.5-178.1 65.7 28.3 -21.9 65.7 19.7 34 39 A S < - 0 0 13 -5,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.381 22.1-166.3 -55.9 137.3 -18.5 65.7 18.0 35 40 A T S S+ 0 0 55 -2,-0.1 2,-0.3 1,-0.1 61,-0.2 0.163 71.8 33.7-111.8 11.0 -18.4 64.2 14.5 36 41 A S S > S- 0 0 28 60,-0.1 4,-0.9 59,-0.1 3,-0.2 -0.978 77.3-118.2-158.1 162.0 -14.6 64.0 14.3 37 42 A V H >> S+ 0 0 3 57,-0.5 4,-2.4 54,-0.4 3,-0.6 0.876 113.8 60.3 -69.3 -39.1 -11.6 63.4 16.5 38 43 A N H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 98.9 56.5 -55.6 -36.6 -10.3 66.8 15.7 39 44 A D H 34 S+ 0 0 31 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.814 109.6 47.4 -68.3 -29.5 -13.5 68.3 17.2 40 45 A V H X< S+ 0 0 1 -4,-0.9 3,-1.0 -3,-0.6 -2,-0.2 0.958 114.9 43.2 -70.7 -49.8 -12.7 66.5 20.4 41 46 A L H >< S+ 0 0 3 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.805 100.6 68.7 -66.9 -37.3 -9.0 67.5 20.6 42 47 A R T 3< S+ 0 0 37 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.758 95.0 59.8 -49.1 -32.9 -9.6 71.2 19.6 43 48 A R T < S+ 0 0 28 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.547 91.8 89.1 -74.6 -10.2 -11.3 71.7 23.0 44 49 A L S X S- 0 0 10 -3,-1.9 3,-1.6 -4,-0.2 394,-0.0 -0.523 86.2 -83.1-104.2 157.7 -8.3 70.7 25.1 45 50 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.245 107.5 6.1 -61.1 135.2 -5.3 72.6 26.6 46 51 A G T 3 S+ 0 0 4 1,-0.2 18,-2.5 376,-0.1 2,-0.5 0.476 93.6 132.0 77.5 1.4 -2.4 73.3 24.4 47 52 A V E < +F 63 0C 2 -3,-1.6 2,-0.5 16,-0.2 -1,-0.2 -0.785 28.0 175.5 -94.3 127.0 -4.0 71.9 21.2 48 53 A D E -F 62 0C 8 14,-1.4 14,-2.8 -2,-0.5 2,-0.5 -0.964 11.5-176.0-128.4 107.8 -3.9 74.0 18.0 49 54 A I E -F 61 0C 23 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.936 6.5-169.6-113.5 125.8 -5.4 72.1 15.0 50 55 A T E -F 60 0C 6 10,-1.7 10,-2.3 -2,-0.5 2,-0.3 -0.843 6.7-173.0-111.5 152.8 -5.6 73.3 11.4 51 56 A Q E -F 59 0C 28 -2,-0.3 2,-2.1 8,-0.2 482,-0.5 -0.999 33.9-122.9-149.6 142.0 -7.5 71.7 8.6 52 57 A N S S- 0 0 42 6,-2.6 2,-0.5 -2,-0.3 6,-0.2 -0.307 83.8 -57.6 -80.3 53.2 -7.9 72.1 4.9 53 58 A G S S- 0 0 11 -2,-2.1 487,-0.2 484,-0.4 3,-0.1 -0.913 95.5 -16.3 112.8-137.2 -11.6 72.7 5.1 54 59 A G S > S- 0 0 32 -2,-0.5 3,-1.4 1,-0.2 -2,-0.1 0.141 96.1 -20.8 -95.3-152.1 -14.2 70.4 6.6 55 60 A S T 3 S+ 0 0 40 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 -0.178 123.4 14.3 -58.5 137.5 -14.4 66.7 7.7 56 61 A G T 3 S+ 0 0 2 36,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.173 92.8 123.8 89.4 -20.7 -11.9 64.3 6.2 57 62 A Q S < S- 0 0 51 -3,-1.4 -1,-0.3 1,-0.2 -4,-0.1 -0.376 75.8 -77.0 -74.6 157.1 -9.5 66.9 4.8 58 63 A L - 0 0 94 -6,-0.2 -6,-2.6 -7,-0.1 2,-0.3 -0.124 58.6-179.1 -54.5 143.7 -5.8 66.9 5.7 59 64 A S E -F 51 0C 7 -8,-0.2 2,-0.3 -3,-0.1 -8,-0.2 -0.950 19.4-146.0-148.6 158.6 -5.1 68.3 9.1 60 65 A S E -F 50 0C 30 -10,-2.3 -10,-1.7 -2,-0.3 2,-0.5 -0.980 7.5-146.9-128.0 141.6 -2.2 69.1 11.5 61 66 A I E -F 49 0C 0 28,-0.6 2,-0.7 -2,-0.3 9,-0.2 -0.938 11.4-172.6-112.6 118.8 -1.9 68.9 15.3 62 67 A F E -F 48 0C 1 -14,-2.8 -14,-1.4 -2,-0.5 2,-0.6 -0.911 7.3-165.8-111.4 105.3 0.4 71.5 16.9 63 68 A I E > S-F 47 0C 0 -2,-0.7 3,-2.3 4,-0.4 -16,-0.2 -0.790 72.0 -19.2 -93.3 120.2 0.7 70.7 20.6 64 69 A R T 3 S- 0 0 3 -18,-2.5 -1,-0.2 -2,-0.6 -17,-0.1 0.825 125.8 -52.7 51.6 45.1 2.2 73.5 22.6 65 70 A G T 3 S+ 0 0 4 -3,-0.4 -1,-0.3 -19,-0.3 3,-0.1 0.388 104.3 134.6 80.3 -5.9 3.8 75.2 19.6 66 71 A T < - 0 0 3 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.1 -0.339 62.7 -86.3 -76.6 161.9 5.6 72.1 18.4 67 72 A N > - 0 0 42 -5,-0.1 3,-2.2 1,-0.1 -4,-0.4 -0.160 39.3-106.9 -59.7 161.1 5.7 70.9 14.8 68 73 A A G > S+ 0 0 10 1,-0.3 3,-0.5 2,-0.1 21,-0.5 0.765 122.2 52.5 -60.4 -28.2 2.9 68.7 13.5 69 74 A S G 3 S+ 0 0 25 1,-0.2 -1,-0.3 19,-0.2 -2,-0.1 0.369 92.5 78.7 -87.6 1.5 5.3 65.8 13.6 70 75 A H G < S+ 0 0 2 -3,-2.2 49,-2.7 -9,-0.2 48,-0.9 0.139 74.2 84.9-105.5 17.7 6.2 66.4 17.3 71 76 A V E < S-c 120 0B 3 -3,-0.5 2,-0.8 47,-0.2 18,-0.4 -0.970 70.0-139.9-110.8 134.1 3.1 64.9 18.8 72 77 A L E -c 121 0B 2 48,-2.1 50,-2.8 -2,-0.4 2,-0.5 -0.835 17.2-166.9 -90.4 113.9 2.9 61.2 19.6 73 78 A V E -c 122 0B 4 -2,-0.8 7,-2.5 48,-0.2 2,-0.4 -0.903 6.8-174.8 -99.7 128.1 -0.6 59.7 18.8 74 79 A L E -cD 123 79B 3 48,-2.8 50,-2.8 -2,-0.5 2,-0.5 -0.891 18.2-152.3-116.9 145.7 -1.3 56.3 20.1 75 80 A I E > S-cD 124 78B 10 3,-2.9 3,-2.0 -2,-0.4 50,-0.2 -0.993 88.7 -20.0-116.5 120.3 -4.3 54.1 19.5 76 81 A D T 3 S- 0 0 20 48,-3.0 -1,-0.1 -2,-0.5 49,-0.1 0.860 132.5 -46.9 48.0 41.6 -4.8 51.9 22.5 77 82 A G T 3 S+ 0 0 18 1,-0.2 2,-0.4 47,-0.1 -1,-0.3 0.350 118.8 100.9 93.7 -6.9 -1.1 52.3 23.5 78 83 A V E < S-D 75 0B 9 -3,-2.0 -3,-2.9 1,-0.0 -1,-0.2 -0.947 81.9 -92.9-128.2 130.6 0.5 51.8 20.0 79 84 A R E -D 74 0B 33 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.1 -0.100 51.0-102.3 -41.0 127.0 1.8 54.4 17.5 80 85 A L > - 0 0 2 -7,-2.5 3,-1.3 1,-0.1 4,-0.3 -0.334 23.9-146.1 -64.7 129.9 -0.9 55.4 15.0 81 86 A N G > S+ 0 0 9 1,-0.3 3,-3.5 2,-0.2 4,-0.3 0.921 94.1 64.9 -69.3 -49.2 -0.3 53.7 11.7 82 87 A L G 3 S+ 0 0 35 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.644 97.7 58.5 -43.4 -25.0 -1.6 56.5 9.6 83 88 A A G <>>S+ 0 0 12 -3,-1.3 4,-1.8 1,-0.1 5,-0.9 0.632 86.8 88.7 -78.8 -10.1 1.4 58.6 10.9 84 89 A G T <45S+ 0 0 8 -3,-3.5 -2,-0.2 -4,-0.3 -1,-0.1 0.844 86.0 37.6 -62.8 -49.6 3.7 56.0 9.5 85 90 A V T 45S+ 0 0 27 -4,-0.3 271,-0.4 1,-0.2 272,-0.4 0.954 125.7 34.7 -71.0 -50.1 4.4 57.0 5.9 86 91 A S T 45S- 0 0 68 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.661 100.4-128.3 -81.3 -13.4 4.6 60.8 6.3 87 92 A G T <5S+ 0 0 12 -4,-1.8 2,-0.3 1,-0.1 -3,-0.2 0.865 78.9 92.7 65.4 38.6 6.2 60.7 9.8 88 93 A S S + 0 0 1 -2,-0.4 3,-1.2 1,-0.2 -54,-0.4 0.412 56.2 102.4 -92.4 6.1 -6.5 62.2 12.8 92 97 A S T 3 S+ 0 0 10 1,-0.3 -36,-0.4 -33,-0.1 -1,-0.2 0.778 87.6 44.3 -63.0 -24.4 -8.9 63.5 10.2 93 98 A Q T 3 S+ 0 0 3 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.600 87.8 101.8 -91.0 -15.0 -9.4 60.0 8.8 94 99 A F S < S- 0 0 7 -3,-1.2 -57,-0.5 -4,-0.1 2,-0.2 -0.578 80.7-112.9 -79.3 126.7 -9.7 58.1 12.1 95 100 A P > - 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