==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 08-APR-11 3RGM . COMPND 2 MOLECULE: VITAMIN B12 TRANSPORTER BTUB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.S.HORANYI,D.M.FREED,M.C.WIENER,D.S.CAFISO . 548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 77.6 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 . 308 56.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 45 8.2 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 3 3 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 7 A T 0 0 127 0, 0.0 12,-2.7 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0 -36.9 22.2 -21.6 -40.3 2 8 A L E +A 12 0A 70 10,-0.2 2,-0.3 11,-0.1 8,-0.1 -0.649 360.0 177.8 -91.1 146.5 25.9 -22.0 -39.0 3 9 A V E -A 11 0A 0 8,-2.7 8,-2.3 -2,-0.3 4,-0.1 -0.987 25.0-171.9-137.2 159.0 27.0 -24.2 -36.1 4 10 A V S > S+ 0 0 45 -2,-0.3 4,-1.3 6,-0.2 3,-0.1 0.402 71.5 85.0-116.1 -4.3 30.3 -25.1 -34.5 5 11 A T T 4 S+ 0 0 0 1,-0.2 99,-0.1 2,-0.2 5,-0.1 0.774 78.5 63.4 -77.6 -22.6 29.1 -27.9 -32.2 6 12 A A T 4 S- 0 0 0 1,-0.2 -1,-0.2 3,-0.2 -2,-0.1 0.913 131.2 -3.3 -72.7 -47.9 29.3 -30.8 -34.6 7 13 A N T 4 S- 0 0 12 2,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.192 102.1-102.1-129.6 16.0 33.0 -30.8 -35.3 8 14 A R S < S+ 0 0 15 -4,-1.3 2,-0.3 1,-0.2 -3,-0.1 0.178 96.8 81.1 83.9 -14.1 34.2 -27.7 -33.3 9 15 A F S S- 0 0 16 -6,-0.1 -2,-0.4 250,-0.1 -1,-0.2 -0.818 92.3 -77.4-120.9 161.6 34.5 -25.5 -36.3 10 16 A E + 0 0 118 -2,-0.3 -6,-0.2 -3,-0.1 -8,-0.1 -0.373 58.5 147.8 -61.5 129.0 31.9 -23.5 -38.4 11 17 A Q E -A 3 0A 13 -8,-2.3 -8,-2.7 -2,-0.2 2,-0.3 -0.987 49.6 -95.7-148.6 159.7 29.7 -25.4 -40.8 12 18 A P E > -A 2 0A 51 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.560 29.5-129.1 -73.1 135.1 26.2 -25.1 -42.1 13 19 A R G > S+ 0 0 94 -12,-2.7 3,-1.6 -2,-0.3 -11,-0.1 0.758 105.1 69.1 -42.7 -40.5 23.6 -27.2 -40.3 14 20 A S G 3 S+ 0 0 78 -13,-0.3 -1,-0.3 1,-0.3 -12,-0.1 0.780 99.8 51.6 -55.8 -23.5 22.3 -28.6 -43.6 15 21 A T G < S+ 0 0 13 -3,-1.8 2,-0.8 287,-0.0 -1,-0.3 0.428 89.2 91.0 -94.8 -3.6 25.7 -30.5 -43.8 16 22 A V < - 0 0 2 -3,-1.6 4,-0.1 -4,-0.2 286,-0.0 -0.850 61.8-163.0 -89.7 116.9 25.4 -31.9 -40.3 17 23 A L + 0 0 0 -2,-0.8 -1,-0.1 2,-0.1 315,-0.1 0.759 66.1 83.2 -73.0 -22.8 23.7 -35.3 -40.6 18 24 A A S S- 0 0 10 1,-0.1 88,-0.1 313,-0.1 -2,-0.1 -0.521 99.6 -91.7 -75.7 147.2 22.6 -35.5 -36.9 19 25 A P - 0 0 2 0, 0.0 86,-2.3 0, 0.0 2,-0.3 -0.422 54.1-168.3 -58.6 143.1 19.4 -33.7 -35.9 20 26 A T E -B 104 0B 11 84,-0.2 2,-0.4 -4,-0.1 84,-0.2 -0.994 18.1-167.3-149.1 131.9 20.3 -30.3 -34.8 21 27 A T E -B 103 0B 21 82,-2.6 82,-2.9 -2,-0.3 2,-0.4 -0.987 3.6-166.3-129.6 137.1 18.6 -27.4 -33.0 22 28 A V E -B 102 0B 28 -2,-0.4 2,-0.4 80,-0.2 80,-0.2 -0.994 1.9-171.7-126.1 130.0 19.8 -23.8 -32.7 23 29 A V E -B 101 0B 2 78,-2.2 78,-2.3 -2,-0.4 2,-0.2 -0.984 10.9-164.3-120.5 129.9 18.3 -21.3 -30.2 24 30 A T E > -B 100 0B 43 -2,-0.4 4,-1.7 76,-0.2 76,-0.2 -0.601 35.2-103.7-111.3 176.9 19.4 -17.7 -30.4 25 31 A R H > S+ 0 0 59 74,-0.8 4,-2.8 1,-0.3 5,-0.3 0.815 119.5 62.6 -73.8 -32.3 19.0 -14.8 -28.1 26 32 A Q H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.965 106.3 48.2 -51.8 -45.8 16.2 -13.4 -30.1 27 33 A D H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 110.2 50.2 -62.1 -45.4 14.4 -16.6 -29.2 28 34 A I H X>S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 5,-1.1 0.889 111.4 47.7 -66.0 -38.7 15.2 -16.4 -25.5 29 35 A D H <5S+ 0 0 43 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.957 113.2 48.0 -66.5 -47.1 14.1 -12.8 -25.2 30 36 A R H <5S+ 0 0 25 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.911 114.4 46.4 -55.0 -43.4 10.8 -13.6 -27.0 31 37 A W H <5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.837 99.7-142.4 -75.7 -26.9 10.2 -16.7 -24.9 32 38 A Q T <5 - 0 0 14 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.773 28.6-175.6 69.3 32.8 11.0 -14.6 -21.8 33 39 A S < - 0 0 12 -5,-1.1 -1,-0.2 1,-0.1 -2,-0.1 -0.390 22.6-169.3 -60.0 128.8 12.7 -17.5 -20.2 34 40 A T S S+ 0 0 48 -2,-0.2 2,-0.3 1,-0.1 61,-0.2 0.217 70.3 35.5-104.4 11.9 14.0 -17.0 -16.7 35 41 A S S > S- 0 0 22 1,-0.1 4,-1.1 60,-0.1 56,-0.1 -0.997 76.6-117.5-155.4 161.9 16.0 -20.2 -16.6 36 42 A V H >> S+ 0 0 2 57,-0.6 4,-2.4 54,-0.4 3,-1.1 0.955 113.2 57.4 -63.1 -46.6 18.2 -22.5 -18.7 37 43 A N H 3> S+ 0 0 7 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.874 100.7 57.6 -49.7 -39.1 15.7 -25.4 -18.2 38 44 A D H 34 S+ 0 0 32 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.844 109.2 44.8 -66.0 -32.6 12.9 -23.4 -19.7 39 45 A V H X< S+ 0 0 1 -3,-1.1 3,-1.4 -4,-1.1 4,-0.3 0.952 117.4 43.5 -70.3 -54.0 14.9 -22.9 -22.9 40 46 A L H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.823 100.8 67.4 -61.8 -33.7 16.0 -26.5 -23.1 41 47 A R T 3< S+ 0 0 38 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 0.701 95.4 60.5 -65.2 -16.3 12.6 -28.0 -22.2 42 48 A R T < S+ 0 0 25 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.616 89.6 88.4 -82.7 -13.7 11.2 -26.7 -25.5 43 49 A L S X S- 0 0 10 -3,-1.8 3,-1.5 -4,-0.3 394,-0.0 -0.470 88.6 -79.0 -96.0 160.6 13.6 -28.6 -27.8 44 50 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.245 108.7 5.6 -56.6 129.9 13.3 -32.1 -29.4 45 51 A G T 3 S+ 0 0 3 1,-0.2 18,-2.7 414,-0.1 2,-0.5 0.466 93.1 131.2 81.4 -0.3 14.1 -35.0 -27.2 46 52 A V E < +F 62 0C 2 -3,-1.5 2,-0.4 16,-0.2 -1,-0.2 -0.769 28.3 175.9 -96.2 130.1 14.6 -33.1 -24.0 47 53 A D E -F 61 0C 6 14,-1.2 14,-2.3 -2,-0.5 2,-0.4 -0.948 11.1-172.0-131.8 105.5 12.8 -34.3 -20.8 48 54 A I E -F 60 0C 20 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.817 5.0-168.2-102.7 136.9 13.7 -32.2 -17.8 49 55 A T E -F 59 0C 5 10,-2.3 10,-2.2 -2,-0.4 2,-0.3 -0.961 7.3-174.0-121.0 145.2 12.7 -33.0 -14.3 50 56 A Q E -F 58 0C 31 -2,-0.4 2,-2.2 8,-0.2 482,-0.4 -0.997 34.4-127.7-143.9 138.4 13.0 -30.7 -11.3 51 57 A N S S- 0 0 44 6,-2.4 2,-0.4 -2,-0.3 6,-0.2 -0.294 85.3 -52.9 -77.2 54.5 12.4 -30.9 -7.6 52 58 A G S S- 0 0 11 -2,-2.2 487,-0.2 484,-0.4 486,-0.1 -0.894 95.8 -15.8 113.3-146.1 10.2 -27.8 -7.7 53 59 A G S > S- 0 0 35 -2,-0.4 3,-1.5 1,-0.2 -2,-0.1 -0.050 96.3 -30.4 -88.4-166.3 10.7 -24.3 -9.1 54 60 A S T 3 S+ 0 0 42 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 -0.020 124.1 23.8 -48.9 141.9 13.8 -22.4 -10.2 55 61 A G T 3 S+ 0 0 2 36,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.065 92.7 120.7 91.1 -23.5 17.1 -23.2 -8.5 56 62 A Q S < S- 0 0 56 -3,-1.5 -1,-0.3 1,-0.2 -4,-0.1 -0.317 77.4 -81.7 -72.8 154.4 16.0 -26.6 -7.4 57 63 A L + 0 0 90 -6,-0.2 -6,-2.4 -7,-0.1 2,-0.3 -0.162 57.3 178.1 -50.1 146.2 17.9 -29.7 -8.4 58 64 A S E -F 50 0C 7 -8,-0.2 2,-0.4 -3,-0.1 -8,-0.2 -0.958 20.1-145.1-147.7 167.0 17.1 -31.0 -11.9 59 65 A S E -F 49 0C 30 -10,-2.2 -10,-2.3 -2,-0.3 2,-0.5 -0.991 9.0-142.3-134.9 147.7 18.0 -33.6 -14.4 60 66 A I E -F 48 0C 0 28,-0.6 2,-0.7 -2,-0.4 9,-0.3 -0.934 12.0-171.8-111.7 121.4 18.2 -33.7 -18.1 61 67 A F E -F 47 0C 1 -14,-2.3 -14,-1.2 -2,-0.5 2,-0.6 -0.897 7.8-166.1-115.6 99.3 17.1 -36.9 -19.9 62 68 A I E > S-F 46 0C 0 -2,-0.7 3,-2.1 4,-0.4 -16,-0.2 -0.791 73.0 -21.5 -85.9 117.8 17.9 -36.6 -23.6 63 69 A R T 3 S- 0 0 3 -18,-2.7 -1,-0.2 -2,-0.6 -17,-0.1 0.857 124.5 -54.5 52.3 40.2 16.2 -39.2 -25.7 64 70 A G T 3 S+ 0 0 4 -3,-0.4 -1,-0.3 -19,-0.3 3,-0.1 0.325 102.9 132.7 85.6 -8.9 15.6 -41.5 -22.8 65 71 A T < - 0 0 2 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.1 -0.268 63.9 -84.2 -73.5 163.6 19.1 -41.7 -21.7 66 72 A N > - 0 0 43 -5,-0.1 3,-2.1 1,-0.1 -4,-0.4 -0.079 40.5-102.4 -61.5 167.4 20.2 -41.3 -18.1 67 73 A A G > S+ 0 0 13 1,-0.3 3,-0.6 2,-0.1 21,-0.4 0.855 123.4 51.6 -56.0 -35.9 20.8 -37.9 -16.5 68 74 A S G 3 S+ 0 0 24 1,-0.2 -1,-0.3 19,-0.2 -2,-0.1 0.343 90.4 80.8 -88.6 9.4 24.5 -38.4 -16.8 69 75 A H G < S+ 0 0 2 -3,-2.1 49,-3.3 -9,-0.3 48,-1.1 0.108 73.4 85.5-108.2 18.7 24.3 -39.3 -20.5 70 76 A V E < -c 119 0B 3 -3,-0.6 2,-0.6 47,-0.2 18,-0.4 -0.938 68.7-140.4-113.7 142.4 24.1 -35.7 -21.8 71 77 A L E -c 120 0B 0 48,-1.9 50,-3.3 -2,-0.4 2,-0.6 -0.933 14.8-166.5-105.2 119.3 27.2 -33.5 -22.5 72 78 A V E -c 121 0B 4 -2,-0.6 7,-3.0 48,-0.2 2,-0.4 -0.922 7.8-172.3-106.9 116.5 26.8 -29.9 -21.5 73 79 A L E -cD 122 78B 4 48,-3.1 50,-3.4 -2,-0.6 2,-0.5 -0.872 17.1-152.7-104.9 140.4 29.5 -27.6 -22.9 74 80 A I E > S-cD 123 77B 9 3,-3.2 3,-2.4 -2,-0.4 50,-0.2 -0.986 89.2 -20.2-107.5 120.5 29.9 -24.0 -22.0 75 81 A D T 3 S- 0 0 20 48,-2.7 -1,-0.2 -2,-0.5 49,-0.1 0.881 133.3 -47.9 41.3 48.8 31.6 -22.3 -25.0 76 82 A G T 3 S+ 0 0 15 47,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.399 119.0 108.5 84.0 -1.8 32.8 -25.8 -26.1 77 83 A V E < S-D 74 0B 7 -3,-2.4 -3,-3.2 1,-0.1 -1,-0.2 -0.926 79.3 -93.8-118.4 135.9 34.1 -26.9 -22.7 78 84 A R E -D 73 0B 37 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.1 -0.023 51.3-100.4 -46.7 129.4 32.5 -29.4 -20.3 79 85 A L > - 0 0 1 -7,-3.0 3,-0.9 1,-0.1 4,-0.3 -0.319 25.3-146.8 -57.3 126.8 30.3 -27.8 -17.7 80 86 A N G > S+ 0 0 9 1,-0.2 3,-2.5 2,-0.2 4,-0.4 0.921 93.0 61.7 -65.9 -46.6 32.1 -27.4 -14.4 81 87 A L G 3 S+ 0 0 31 1,-0.3 4,-0.5 2,-0.1 3,-0.3 0.708 100.0 60.5 -47.2 -25.2 29.0 -27.9 -12.1 82 88 A A G <>>S+ 0 0 9 -3,-0.9 4,-1.7 1,-0.2 5,-0.9 0.611 85.5 78.7 -78.3 -16.0 28.7 -31.4 -13.7 83 89 A G T <45S+ 0 0 10 -3,-2.5 272,-0.4 -4,-0.3 -1,-0.2 0.785 89.1 47.6 -76.0 -31.8 32.1 -32.7 -12.5 84 90 A V T 45S+ 0 0 24 -4,-0.4 272,-0.4 -3,-0.3 271,-0.3 0.937 125.9 28.8 -73.6 -46.5 31.5 -33.6 -8.9 85 91 A S T 45S- 0 0 67 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.652 100.2-130.5 -86.5 -13.5 28.3 -35.5 -9.4 86 92 A G T <5S+ 0 0 9 -4,-1.7 2,-0.3 1,-0.1 -3,-0.2 0.802 78.2 98.0 66.6 30.9 29.2 -36.7 -13.0 87 93 A S S + 0 0 1 -2,-0.4 3,-1.3 1,-0.2 -54,-0.4 0.321 51.2 107.4 -96.8 9.3 21.8 -26.5 -15.2 91 97 A S T 3 S+ 0 0 9 1,-0.3 -36,-0.4 -33,-0.1 -1,-0.2 0.811 85.4 43.4 -57.1 -31.1 19.4 -25.2 -12.6 92 98 A Q T 3 S+ 0 0 4 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.516 87.8 107.3 -91.2 -11.6 22.1 -22.9 -11.1 93 99 A F S < S- 0 0 5 -3,-1.3 -57,-0.6 1,-0.1 2,-0.4 -0.581 77.7-115.8 -74.5 129.3 23.4 -21.7 -14.4 94 100 A P > - 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