==== 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 1NQF . 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 . 544 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 302 55.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 9 1.7 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 . 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 . 57 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 0 3 3 1 2 4 0 2 2 4 2 2 1 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 0 124 0, 0.0 12,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -9.0 -11.0 62.3 40.0 2 8 A L E +A 12 0A 83 10,-0.2 2,-0.4 11,-0.1 8,-0.1 -0.865 360.0 176.0 -91.3 132.5 -8.9 59.3 39.0 3 9 A V E -A 11 0A 3 8,-2.9 8,-0.6 -2,-0.5 4,-0.2 -0.996 19.0-173.9-137.0 143.2 -6.5 59.7 36.0 4 10 A V >>> + 0 0 42 -2,-0.4 3,-1.9 6,-0.2 4,-1.1 0.884 65.2 83.3 -94.4 -70.5 -3.9 57.5 34.4 5 11 A T T 345S+ 0 0 0 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.539 84.8 67.0 1.0 -49.7 -2.0 59.3 31.7 6 12 A A T 345S- 0 0 2 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.939 128.5 -3.8 -54.5 -57.2 0.3 60.8 34.3 7 13 A N T <45S- 0 0 11 -3,-1.9 -2,-0.2 2,-0.5 -1,-0.2 0.164 98.7-104.6-127.7 16.7 2.0 57.6 35.3 8 14 A R T <5S+ 0 0 11 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.519 94.7 82.7 73.7 5.9 0.2 54.9 33.4 9 15 A F S > -A 2 0A 55 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.536 25.8-136.7 -75.8 140.3 -6.0 60.9 42.2 13 19 A R G >4 S+ 0 0 79 -12,-2.0 3,-1.8 1,-0.3 5,-0.2 0.922 107.7 63.4 -60.6 -44.6 -5.5 64.2 40.5 14 20 A S G 34 S+ 0 0 83 1,-0.3 -1,-0.3 -13,-0.2 3,-0.0 0.538 102.7 53.5 -54.4 -6.7 -4.9 65.8 43.8 15 21 A T G <4 S+ 0 0 24 -3,-1.7 2,-0.4 291,-0.0 -1,-0.3 0.655 89.9 86.1-101.9 -25.6 -1.9 63.5 43.7 16 22 A V << - 0 0 3 -3,-1.8 2,-1.1 -4,-0.7 4,-0.1 -0.666 69.6-149.1 -79.6 125.9 -0.6 64.7 40.3 17 23 A L S S+ 0 0 0 -2,-0.4 291,-0.1 2,-0.1 -1,-0.1 -0.650 71.6 61.3 -96.9 74.4 1.6 67.7 40.7 18 24 A A S S- 0 0 9 -2,-1.1 2,-0.1 -5,-0.2 88,-0.1 -0.833 95.5 -77.6 169.2 152.0 0.9 69.3 37.4 19 25 A P + 0 0 2 0, 0.0 86,-1.8 0, 0.0 2,-0.3 -0.381 52.8 168.6 -76.0 141.4 -2.2 70.7 35.8 20 26 A T E -B 104 0B 16 84,-0.2 2,-0.3 -2,-0.1 84,-0.2 -0.987 21.4-156.5-153.0 160.3 -4.7 68.4 34.2 21 27 A T E -B 103 0B 25 82,-2.4 82,-2.9 -2,-0.3 2,-0.4 -0.983 5.9-160.6-140.3 142.9 -8.1 68.2 32.8 22 28 A V E -B 102 0B 31 -2,-0.3 2,-0.5 80,-0.2 80,-0.2 -0.991 2.0-166.8-128.9 136.2 -10.5 65.4 32.4 23 29 A V E -B 101 0B 2 78,-3.4 78,-2.4 -2,-0.4 2,-0.2 -0.979 8.2-161.1-124.4 124.6 -13.4 65.2 30.1 24 30 A T E > -B 100 0B 41 -2,-0.5 4,-2.0 76,-0.2 3,-0.4 -0.570 33.0-108.7 -98.5 167.0 -16.1 62.5 30.5 25 31 A R H > S+ 0 0 62 74,-1.1 4,-2.0 1,-0.3 3,-0.4 0.963 117.7 59.8 -53.9 -57.6 -18.6 61.3 28.0 26 32 A Q H > S+ 0 0 144 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.836 105.4 49.9 -40.4 -45.5 -21.4 63.0 29.9 27 33 A D H >> S+ 0 0 49 -3,-0.4 4,-2.8 1,-0.2 3,-1.2 0.979 109.1 51.2 -56.7 -51.6 -19.6 66.2 29.3 28 34 A I H 3X>S+ 0 0 2 -4,-2.0 5,-1.4 -3,-0.4 4,-0.7 0.789 109.7 50.3 -61.1 -24.5 -19.2 65.5 25.6 29 35 A D H 3<5S+ 0 0 34 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.741 111.1 49.1 -85.8 -23.4 -23.0 64.7 25.3 30 36 A R H <<5S+ 0 0 35 -4,-1.4 -2,-0.2 -3,-1.2 -3,-0.1 0.939 112.0 46.1 -76.6 -50.8 -23.8 67.9 27.0 31 37 A W H <5S- 0 0 32 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.711 102.8-138.4 -64.2 -18.9 -21.6 70.1 24.9 32 38 A Q T <5 - 0 0 21 -4,-0.7 2,-0.4 -5,-0.3 -3,-0.2 0.995 33.2-173.0 55.8 70.3 -23.0 68.2 21.9 33 39 A S < - 0 0 13 -5,-1.4 2,-0.3 62,-0.1 -1,-0.2 -0.823 28.7-179.7-108.7 131.0 -19.6 67.9 20.2 34 40 A T + 0 0 64 -2,-0.4 2,-0.2 61,-0.0 3,-0.1 -0.678 68.1 40.7-125.5 72.0 -18.9 66.5 16.8 35 41 A S S > S- 0 0 27 -2,-0.3 4,-1.1 1,-0.1 3,-0.3 -0.588 74.4-123.2 154.2 139.9 -15.2 66.8 16.5 36 42 A V T 4 S+ 0 0 3 54,-0.6 5,-0.2 57,-0.3 55,-0.1 0.807 114.1 60.8 -76.3 -24.8 -12.2 66.2 18.7 37 43 A N T > S+ 0 0 7 53,-0.3 4,-1.5 1,-0.2 3,-0.3 0.780 98.9 57.0 -70.3 -18.9 -11.2 69.8 18.1 38 44 A D T 4 S+ 0 0 26 1,-0.3 2,-1.1 -3,-0.3 4,-0.4 0.910 108.1 47.6 -76.9 -39.8 -14.5 70.8 19.6 39 45 A V T < S+ 0 0 2 -4,-1.1 -1,-0.3 1,-0.1 -16,-0.0 -0.850 116.8 40.0 -95.0 77.6 -13.6 68.9 22.8 40 46 A L T >4 S+ 0 0 1 -2,-1.1 3,-1.5 -3,-0.3 6,-0.2 -0.122 98.9 67.5 179.0 -38.9 -10.0 70.3 23.2 41 47 A R T 3< S+ 0 0 40 -4,-1.5 -2,-0.1 1,-0.3 5,-0.1 0.717 96.1 62.9 -64.2 -26.8 -10.3 73.9 22.3 42 48 A R T 3 S+ 0 0 25 -4,-0.4 -1,-0.3 -5,-0.1 -3,-0.1 0.606 92.2 85.6 -74.9 -9.9 -12.4 74.2 25.4 43 49 A L S X S- 0 0 8 -3,-1.5 3,-1.4 1,-0.1 391,-0.0 -0.583 89.1 -83.8-103.7 162.5 -9.5 73.2 27.6 44 50 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.230 104.6 6.4 -62.2 134.2 -6.7 75.2 29.1 45 51 A G T 3 S+ 0 0 3 1,-0.2 18,-3.0 17,-0.1 2,-0.5 0.496 99.5 121.3 81.7 1.6 -3.5 76.0 27.2 46 52 A V E < +F 62 0C 0 -3,-1.4 2,-0.4 16,-0.2 -1,-0.2 -0.863 32.6 172.7-110.0 128.3 -4.9 74.6 24.0 47 53 A D E -F 61 0C 9 14,-2.2 14,-2.4 -2,-0.5 2,-0.5 -0.981 9.6-166.1-135.7 131.0 -5.4 76.2 20.6 48 54 A I E -F 60 0C 21 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.937 2.7-163.2-115.0 117.8 -6.4 74.5 17.4 49 55 A T E -F 59 0C 3 10,-1.8 10,-1.8 -2,-0.5 2,-0.4 -0.874 12.4-171.8-101.6 128.7 -6.2 76.1 14.0 50 56 A Q E -F 58 0C 31 -2,-0.5 2,-2.1 8,-0.2 480,-0.5 -0.954 30.5-133.2-124.7 135.9 -8.2 74.5 11.2 51 57 A N S S- 0 0 55 6,-2.1 2,-0.4 -2,-0.4 6,-0.2 -0.285 83.0 -48.0 -78.4 51.9 -8.2 75.2 7.5 52 58 A G S S- 0 0 17 -2,-2.1 484,-0.2 481,-0.3 3,-0.1 -0.943 93.7 -21.1 126.3-143.2 -12.0 75.2 7.5 53 59 A G S > S- 0 0 33 -2,-0.4 3,-1.3 1,-0.2 2,-0.2 0.195 92.9 -28.1 -92.3-151.2 -14.7 73.0 8.9 54 60 A S T 3 S+ 0 0 56 1,-0.2 -1,-0.2 119,-0.1 3,-0.1 -0.439 125.5 24.5 -69.7 128.5 -14.9 69.4 10.0 55 61 A G T 3 S+ 0 0 1 1,-0.4 -1,-0.2 36,-0.3 36,-0.1 0.054 93.6 119.7 110.0 -21.0 -12.5 67.1 8.2 56 62 A Q S < S- 0 0 46 -3,-1.3 -1,-0.4 1,-0.2 -4,-0.1 -0.335 77.1 -79.9 -80.5 156.5 -10.0 69.7 7.3 57 63 A L - 0 0 87 -6,-0.2 -6,-2.1 -3,-0.1 2,-0.3 -0.263 53.2-178.2 -52.9 132.1 -6.4 69.8 8.4 58 64 A S E -F 50 0C 0 -8,-0.2 2,-0.4 -3,-0.1 -8,-0.2 -0.904 15.1-154.2-130.3 153.7 -6.0 71.0 12.0 59 65 A S E -F 49 0C 27 -10,-1.8 -10,-1.8 -2,-0.3 2,-0.5 -0.997 10.7-143.7-129.5 141.8 -2.9 71.6 14.1 60 66 A I E -F 48 0C 0 7,-0.5 2,-0.5 28,-0.5 9,-0.3 -0.903 10.7-166.8-103.9 127.6 -2.9 71.6 17.9 61 67 A F E -F 47 0C 2 -14,-2.4 -14,-2.2 -2,-0.5 2,-0.6 -0.968 4.8-162.1-116.6 117.1 -0.7 74.0 19.8 62 68 A I E > S-F 46 0C 0 -2,-0.5 3,-1.9 4,-0.4 -16,-0.2 -0.879 72.9 -22.8-101.0 122.0 -0.2 73.3 23.5 63 69 A R T 3 S- 0 0 2 -18,-3.0 -1,-0.2 -2,-0.6 -17,-0.1 0.925 125.1 -51.4 43.0 62.8 1.1 76.1 25.5 64 70 A G T 3 S+ 0 0 5 -3,-0.3 -1,-0.3 -19,-0.3 2,-0.1 0.572 104.2 134.0 58.9 10.0 2.6 77.9 22.6 65 71 A T < - 0 0 2 -3,-1.9 -1,-0.2 1,-0.1 -3,-0.1 -0.457 62.7 -80.8 -89.3 173.1 4.6 74.9 21.4 66 72 A N > - 0 0 44 -5,-0.1 3,-1.9 -2,-0.1 -4,-0.4 -0.095 45.4-101.1 -68.6 169.8 4.8 73.7 17.8 67 73 A A T 3 S+ 0 0 16 1,-0.3 -7,-0.5 2,-0.1 21,-0.3 0.666 121.6 44.6 -68.5 -21.2 2.1 71.6 16.1 68 74 A S T 3 S+ 0 0 29 19,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.095 88.5 90.5-106.8 19.7 4.0 68.4 16.6 69 75 A H S < S+ 0 0 2 -3,-1.9 48,-1.1 -9,-0.3 50,-0.5 0.145 71.5 82.6-106.1 19.3 5.0 69.0 20.2 70 76 A V S S- 0 0 1 -3,-0.3 2,-0.7 46,-0.2 18,-0.3 -0.932 73.4-132.1-120.5 145.8 2.0 67.4 21.7 71 77 A L E -c 120 0B 0 48,-1.4 50,-3.1 -2,-0.4 2,-0.7 -0.837 14.4-163.9-102.0 115.8 1.5 63.7 22.4 72 78 A V E -c 121 0B 2 -2,-0.7 7,-1.8 48,-0.2 2,-0.3 -0.876 11.0-175.0 -96.7 121.0 -1.7 62.2 21.3 73 79 A L E -cD 122 78B 4 48,-3.0 50,-3.2 -2,-0.7 2,-0.5 -0.829 18.9-157.8-104.4 148.5 -2.3 58.8 22.9 74 80 A I E S-c 123 0B 5 3,-5.0 3,-0.4 -2,-0.3 50,-0.2 -0.936 94.7 -32.3-123.0 100.1 -5.2 56.6 22.1 75 81 A D S S- 0 0 30 48,-1.0 3,-0.1 -2,-0.5 49,-0.1 0.826 125.9 -77.3 53.3 42.2 -5.4 54.4 25.3 76 82 A G S S+ 0 0 9 1,-0.4 2,-0.2 47,-0.1 -1,-0.2 0.229 106.0 119.1 -69.6 130.8 -1.9 55.3 24.7 77 83 A V S S- 0 0 12 -3,-0.4 -3,-5.0 1,-0.2 -1,-0.4 -0.299 83.9 -93.9 56.6 91.1 -0.6 53.9 22.6 78 84 A R B -D 73 0B 40 -5,-0.3 2,-1.9 -2,-0.2 -5,-0.3 -0.039 50.6 -75.7 -74.6 179.1 0.1 56.9 20.6 79 85 A L - 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