==== 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 1NQG . 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 . 576 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 52.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 1 0.2 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 . 55 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 . 0 3 0 0 3 2 2 2 3 2 1 4 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 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 0 120 0, 0.0 22,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 161.2 -13.6 61.9 37.8 2 7 A T + 0 0 102 1,-0.1 12,-3.6 2,-0.0 13,-0.5 0.160 360.0 75.1-114.4 13.1 -10.7 62.9 40.0 3 8 A L - 0 0 62 10,-0.3 -1,-0.1 11,-0.1 2,-0.1 -0.907 60.0-175.1-126.0 110.2 -8.4 60.1 39.3 4 9 A V - 0 0 0 -2,-0.5 8,-1.8 8,-0.3 -2,-0.0 -0.329 19.3-159.8 -86.1-175.9 -6.6 60.0 36.0 5 10 A V S >> S+ 0 0 39 6,-0.2 4,-1.6 -2,-0.1 3,-1.4 0.565 73.8 81.4-126.9 -46.7 -4.3 57.4 34.5 6 11 A T T 34 S+ 0 0 0 1,-0.2 99,-0.1 2,-0.2 5,-0.1 0.623 77.7 75.1 -28.7 -32.4 -2.3 59.1 31.9 7 12 A A T 34 S- 0 0 3 1,-0.2 -1,-0.2 5,-0.1 4,-0.1 0.915 124.7 -6.7 -62.4 -43.6 0.2 60.6 34.4 8 13 A N T <4 S- 0 0 13 -3,-1.4 -2,-0.2 2,-0.4 -1,-0.2 0.188 101.6-100.5-134.8 13.6 2.2 57.4 35.1 9 14 A R S < S+ 0 0 16 -4,-1.6 2,-0.3 1,-0.1 -3,-0.1 -0.056 98.6 74.6 91.0 -29.1 0.2 54.8 33.2 10 15 A F S S- 0 0 18 -5,-0.2 -2,-0.4 1,-0.1 -3,-0.1 -0.877 95.9 -77.8-117.2 154.6 -1.7 53.4 36.2 11 16 A E + 0 0 131 -2,-0.3 -6,-0.2 -4,-0.1 -1,-0.1 -0.049 56.8 154.9 -49.1 139.6 -4.6 54.9 38.2 12 17 A Q - 0 0 15 -8,-1.8 2,-0.4 -3,-0.1 -8,-0.3 -0.903 48.5 -95.3-158.8 154.4 -3.8 57.7 40.7 13 18 A P > - 0 0 62 0, 0.0 3,-3.1 0, 0.0 -10,-0.3 -0.742 30.9-128.0 -79.2 136.3 -5.9 60.5 42.1 14 19 A R G > S+ 0 0 69 -12,-3.6 3,-3.4 -2,-0.4 -11,-0.1 0.752 107.1 65.8 -53.9 -42.3 -5.5 63.7 40.3 15 20 A S G 3 S+ 0 0 81 -13,-0.5 -1,-0.3 1,-0.3 -12,-0.1 0.765 98.4 58.6 -50.9 -21.8 -4.8 65.7 43.4 16 21 A T G < S+ 0 0 10 -3,-3.1 2,-0.8 1,-0.1 -1,-0.3 0.575 86.3 89.4 -87.3 -8.3 -1.7 63.5 43.4 17 22 A V < - 0 0 1 -3,-3.4 4,-0.1 -4,-0.2 -1,-0.1 -0.831 60.8-163.9 -92.1 114.0 -0.7 64.8 40.0 18 23 A L + 0 0 0 -2,-0.8 -1,-0.1 340,-0.1 341,-0.1 0.655 68.1 81.1 -70.4 -17.6 1.5 67.9 40.4 19 24 A A S S- 0 0 10 1,-0.1 88,-0.1 -3,-0.1 -2,-0.1 -0.653 97.5 -93.4 -92.5 153.4 1.1 68.9 36.9 20 25 A P + 0 0 1 0, 0.0 86,-1.9 0, 0.0 2,-0.4 -0.307 55.2 178.0 -64.8 136.2 -2.0 70.7 35.7 21 26 A T E -A 105 0A 16 84,-0.2 2,-0.3 -4,-0.1 84,-0.2 -0.974 20.6-164.9-150.7 158.0 -4.5 68.4 34.4 22 27 A T E -A 104 0A 21 82,-3.0 82,-2.5 -2,-0.4 2,-0.4 -0.985 4.5-160.4-142.8 147.0 -7.9 68.2 33.0 23 28 A V E -A 103 0A 17 -2,-0.3 2,-0.5 80,-0.2 80,-0.2 -0.980 2.1-169.1-135.8 134.4 -10.4 65.5 32.5 24 29 A V E -A 102 0A 2 78,-2.5 78,-2.4 -2,-0.4 2,-0.2 -0.982 11.9-157.8-122.9 134.3 -13.3 65.3 30.3 25 30 A T E > -A 101 0A 28 -2,-0.5 4,-2.1 76,-0.2 76,-0.2 -0.611 33.1-108.2-106.4 179.7 -15.9 62.7 30.4 26 31 A R H > S+ 0 0 65 74,-1.2 4,-1.8 1,-0.2 5,-0.2 0.836 119.3 56.2 -75.9 -22.1 -18.5 61.2 28.2 27 32 A Q H > S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.956 106.5 52.0 -76.0 -43.5 -21.2 62.9 30.2 28 33 A D H >> S+ 0 0 46 1,-0.2 4,-3.5 2,-0.2 3,-0.7 0.959 108.9 48.5 -42.3 -63.9 -19.5 66.3 29.5 29 34 A I H 3X>S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.3 5,-0.9 0.906 109.1 52.8 -53.9 -40.5 -19.3 65.7 25.8 30 35 A D H 3<5S+ 0 0 38 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.826 113.6 45.0 -69.5 -24.5 -23.0 64.7 25.6 31 36 A R H <<5S+ 0 0 38 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.880 112.6 48.0 -81.3 -41.5 -23.8 67.8 27.3 32 37 A W H <5S- 0 0 31 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.742 98.3-143.9 -69.7 -23.0 -21.5 69.8 25.3 33 38 A Q T <5 + 0 0 19 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.707 30.9 179.8 66.8 22.5 -23.0 68.2 22.2 34 39 A S < - 0 0 12 -5,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.290 23.3-166.0 -54.4 141.4 -19.6 68.2 20.5 35 40 A T S S+ 0 0 67 1,-0.2 2,-0.3 62,-0.0 61,-0.2 0.109 72.4 33.2-117.9 15.1 -19.5 66.8 17.0 36 41 A S S >> S- 0 0 31 60,-0.1 4,-1.2 59,-0.1 3,-1.1 -0.925 77.4-118.8-165.5 151.6 -15.8 66.6 16.9 37 42 A V H 3> S+ 0 0 7 57,-0.6 4,-3.0 1,-0.3 5,-0.3 0.866 112.5 60.0 -66.2 -32.3 -12.8 66.0 19.2 38 43 A N H 3> S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.850 100.0 59.0 -62.6 -29.7 -11.4 69.4 18.4 39 44 A D H <4 S+ 0 0 26 -3,-1.1 4,-0.4 2,-0.2 -1,-0.2 0.922 108.6 43.8 -66.7 -38.8 -14.6 70.8 19.8 40 45 A V H >< S+ 0 0 2 -4,-1.2 3,-1.6 -3,-0.3 4,-0.3 0.973 116.6 43.5 -70.4 -51.8 -13.9 69.1 23.0 41 46 A L H >< S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.3 6,-0.2 0.801 99.2 72.0 -67.0 -25.9 -10.3 70.0 23.3 42 47 A R T 3< S+ 0 0 36 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.746 93.9 60.6 -61.3 -21.6 -10.8 73.6 22.2 43 48 A R T < S+ 0 0 25 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.632 89.4 85.0 -76.1 -16.6 -12.4 74.1 25.6 44 49 A L S X S- 0 0 9 -3,-1.7 3,-1.3 -4,-0.3 420,-0.1 -0.388 86.4 -80.8-104.0 166.3 -9.5 73.3 27.8 45 50 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.225 107.6 11.2 -63.8 146.7 -6.7 75.1 29.2 46 51 A G T 3 S+ 0 0 5 1,-0.2 18,-2.8 17,-0.1 2,-0.4 0.293 90.9 129.4 77.7 1.2 -3.7 75.6 27.1 47 52 A V E < +E 63 0B 3 -3,-1.3 2,-0.5 16,-0.2 16,-0.2 -0.723 28.1 175.8 -99.1 125.5 -5.2 74.5 23.8 48 53 A D E -E 62 0B 11 14,-2.0 14,-3.4 -2,-0.4 2,-0.5 -0.936 11.9-178.5-124.0 104.8 -5.0 76.5 20.6 49 54 A I E -E 61 0B 26 -2,-0.5 2,-0.2 12,-0.3 12,-0.2 -0.953 5.9-168.3-114.7 130.8 -6.5 74.6 17.6 50 55 A T E -E 60 0B 8 10,-1.8 10,-1.5 -2,-0.5 2,-0.3 -0.643 7.0-168.7-108.8 159.9 -6.6 75.9 14.0 51 56 A Q E -E 59 0B 34 -2,-0.2 2,-2.4 8,-0.2 508,-0.5 -0.980 34.6-127.8-160.8 136.2 -8.5 74.5 11.1 52 57 A N S S- 0 0 36 6,-1.9 2,-0.3 -2,-0.3 6,-0.1 -0.461 84.9 -64.7 -73.7 54.6 -8.9 74.7 7.3 53 58 A G S S- 0 0 6 -2,-2.4 512,-0.2 510,-0.3 513,-0.1 -0.611 91.6 -7.5 103.7-145.2 -12.5 75.2 7.8 54 59 A G S > S- 0 0 14 510,-0.3 3,-1.5 -2,-0.3 -2,-0.1 0.162 97.4 -27.6 -79.5-153.5 -15.2 73.0 9.1 55 60 A S T 3 S+ 0 0 44 1,-0.2 -1,-0.2 115,-0.1 3,-0.1 -0.094 123.1 21.1 -60.5 145.0 -15.3 69.5 10.1 56 61 A G T 3 S+ 0 0 2 36,-0.5 -1,-0.2 1,-0.3 166,-0.1 0.049 90.2 125.2 83.1 -25.7 -12.8 67.0 8.5 57 62 A Q S < S- 0 0 9 -3,-1.5 -1,-0.3 1,-0.1 -4,-0.1 -0.387 74.8 -86.9 -71.5 143.4 -10.4 69.7 7.4 58 63 A L - 0 0 84 -6,-0.1 -6,-1.9 -2,-0.1 2,-0.3 -0.079 55.9-178.2 -44.1 147.2 -6.9 69.4 8.4 59 64 A S E -E 51 0B 4 -8,-0.2 2,-0.4 -3,-0.1 -8,-0.2 -0.964 21.0-142.0-152.6 163.0 -6.2 70.9 11.7 60 65 A S E -E 50 0B 33 -10,-1.5 -10,-1.8 -2,-0.3 2,-0.7 -0.975 6.6-149.7-133.0 136.8 -3.4 71.6 14.2 61 66 A I E -E 49 0B 1 28,-0.6 2,-0.7 7,-0.4 -12,-0.3 -0.896 12.5-171.5-107.9 103.5 -3.3 71.5 18.0 62 67 A F E -E 48 0B 0 -14,-3.4 -14,-2.0 -2,-0.7 2,-0.6 -0.843 7.1-161.5 -99.9 117.5 -0.9 73.9 19.6 63 68 A I E > -E 47 0B 1 -2,-0.7 3,-2.0 4,-0.4 -16,-0.2 -0.830 69.4 -23.9 -96.5 116.9 -0.6 73.3 23.4 64 69 A R T 3 S- 0 0 6 -18,-2.8 -1,-0.2 -2,-0.6 -17,-0.1 0.852 124.2 -51.7 51.1 47.5 0.8 76.1 25.4 65 70 A G T 3 S+ 0 0 4 -3,-0.3 -1,-0.3 -19,-0.3 2,-0.1 0.361 100.1 132.1 81.9 -5.8 2.6 77.6 22.5 66 71 A T < - 0 0 2 -3,-2.0 -1,-0.2 1,-0.2 -3,-0.1 -0.414 67.3 -82.8 -80.4 162.1 4.5 74.7 21.2 67 72 A N > - 0 0 45 1,-0.2 3,-1.5 -2,-0.1 -4,-0.4 -0.080 47.5-105.8 -55.1 164.6 4.7 73.6 17.6 68 73 A A T 3 S+ 0 0 9 1,-0.3 -7,-0.4 -6,-0.1 3,-0.3 0.584 120.1 54.4 -72.9 -8.8 1.8 71.5 16.5 69 74 A S T 3 S+ 0 0 22 1,-0.2 -1,-0.3 19,-0.2 -2,-0.1 0.346 87.1 84.1-103.4 5.2 3.9 68.4 16.5 70 75 A H S < S+ 0 0 2 -3,-1.5 49,-2.3 -9,-0.1 48,-1.0 0.092 72.0 85.4 -93.2 25.5 4.9 69.0 20.0 71 76 A V E -b 120 0A 3 -3,-0.3 2,-0.7 47,-0.2 18,-0.4 -0.991 69.5-139.1-121.5 130.8 1.8 67.4 21.6 72 77 A L E -b 121 0A 2 48,-1.6 50,-3.4 -2,-0.4 2,-0.6 -0.757 17.7-167.2 -89.1 120.4 1.6 63.7 22.3 73 78 A V E -b 122 0A 3 -2,-0.7 7,-3.0 48,-0.2 2,-0.4 -0.919 6.1-173.5-103.9 122.4 -1.8 62.3 21.5 74 79 A L E -bC 123 79A 3 48,-3.4 50,-3.4 -2,-0.6 2,-0.6 -0.927 15.8-154.4-116.6 144.3 -2.6 58.9 22.8 75 80 A I E > S-bC 124 78A 8 3,-2.3 3,-3.2 -2,-0.4 50,-0.2 -0.993 86.5 -18.7-113.2 119.4 -5.6 56.8 22.1 76 81 A D T 3 S- 0 0 22 48,-2.1 -1,-0.2 -2,-0.6 49,-0.1 0.811 132.9 -48.6 53.5 33.8 -6.2 54.4 24.9 77 82 A G T 3 S+ 0 0 20 1,-0.2 2,-0.5 47,-0.1 -1,-0.3 0.113 117.6 110.7 104.6 -18.8 -2.7 54.8 25.9 78 83 A V E < S-C 75 0A 15 -3,-3.2 -3,-2.3 1,-0.1 3,-0.2 -0.798 77.4 -98.1-111.3 131.4 -1.2 54.4 22.6 79 84 A R E -C 74 0A 38 -2,-0.5 -5,-0.2 -5,-0.2 -1,-0.1 0.080 54.7 -96.1 -40.4 120.2 0.5 57.0 20.3 80 85 A L > - 0 0 2 -7,-3.0 3,-1.1 1,-0.1 4,-0.3 -0.247 28.3-152.2 -44.7 120.3 -2.0 58.2 17.7 81 86 A N G > S+ 0 0 16 1,-0.3 3,-3.4 -3,-0.2 4,-0.4 0.948 91.9 61.5 -63.5 -53.2 -1.7 56.4 14.5 82 87 A L G 3 S+ 0 0 35 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.781 99.5 60.7 -39.9 -27.2 -2.9 59.2 12.2 83 88 A A G <>>S+ 0 0 11 -3,-1.1 4,-1.5 1,-0.2 5,-1.5 0.668 84.3 88.5 -79.4 -15.1 0.1 61.2 13.5 84 89 A G T <45S+ 0 0 7 -3,-3.4 -1,-0.2 -4,-0.3 -2,-0.1 0.773 84.0 41.5 -57.8 -43.9 2.6 58.7 12.2 85 90 A V T 45S+ 0 0 23 -3,-0.5 297,-0.4 -4,-0.4 298,-0.3 1.000 124.5 33.7 -72.3 -56.1 3.2 59.7 8.6 86 91 A S T 45S- 0 0 67 -4,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.589 100.5-124.7 -75.4 -15.3 3.5 63.4 9.1 87 92 A G T <5S+ 0 0 19 -4,-1.5 2,-0.3 1,-0.1 -3,-0.2 0.890 80.7 97.2 65.2 36.1 5.0 63.3 12.6 88 93 A S S - 0 0 31 -30,-0.1 3,-0.7 -2,-0.1 -30,-0.1 -0.818 13.2-175.6-144.8 109.3 -4.4 66.0 13.9 91 96 A L G > + 0 0 2 1,-0.3 3,-2.2 -2,-0.3 -54,-0.3 0.500 54.0 113.1 -89.6 -1.8 -7.6 64.6 15.4 92 97 A S G 3 S+ 0 0 14 1,-0.3 -36,-0.5 -33,-0.2 -1,-0.3 0.753 83.6 37.6 -45.2 -24.3 -9.7 66.1 12.8 93 98 A Q G < S+ 0 0 4 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.1 0.515 87.7 109.7-108.3 -6.9 -10.6 62.6 11.5 94 99 A F S < S- 0 0 8 -3,-2.2 -57,-0.6 1,-0.1 2,-0.3 -0.571 76.3-111.8 -72.2 129.7 -10.9 60.7 14.7 95 100 A P > - 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