==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-MAR-10 3M8D . COMPND 2 MOLECULE: VITAMIN B12 TRANSPORTER BTUB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.M.FREED,P.S.HORANYI,M.C.WIENER,D.S.CAFISO . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 311 53.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 53 9.1 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 . 17 2.9 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+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 . 1 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 . 2 2 0 0 3 2 2 1 3 2 0 4 5 0 1 3 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 0 131 0, 0.0 12,-1.8 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 155.0 21.8 -21.0 -40.1 2 8 A L E -A 12 0A 106 10,-0.2 2,-0.3 11,-0.1 8,-0.1 -0.541 360.0-178.8 -96.5 150.7 25.2 -22.1 -38.5 3 9 A V E -A 11 0A 2 8,-2.1 8,-2.9 -2,-0.2 4,-0.1 -0.978 12.5-179.0-133.7 150.7 26.1 -24.5 -35.8 4 10 A C + 0 0 46 -2,-0.3 4,-0.3 6,-0.2 6,-0.1 0.130 66.9 84.6-129.9 28.3 29.6 -25.3 -34.5 5 11 A T S S+ 0 0 0 2,-0.2 99,-0.1 3,-0.1 5,-0.1 0.689 75.8 67.3-103.3 -19.2 28.7 -27.9 -31.9 6 12 A A S S- 0 0 3 1,-0.2 -1,-0.1 3,-0.2 4,-0.1 0.896 129.8 -0.5 -70.2 -41.7 28.6 -31.0 -34.1 7 13 A N S S- 0 0 14 2,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.131 104.1-100.7-131.4 21.5 32.3 -30.9 -34.9 8 14 A R S S+ 0 0 18 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.215 97.4 87.1 76.8 -13.6 33.5 -27.8 -32.8 9 15 A F S S- 0 0 15 -6,-0.1 -2,-0.4 287,-0.1 -3,-0.2 -0.890 90.5 -86.2-120.4 150.8 33.6 -25.7 -36.0 10 16 A E + 0 0 54 -2,-0.3 -6,-0.2 -6,-0.1 -8,-0.0 -0.249 57.1 154.9 -47.6 119.2 31.0 -23.6 -37.9 11 17 A Q E -A 3 0A 16 -8,-2.9 -8,-2.1 -2,-0.0 -6,-0.1 -0.991 48.2 -94.4-143.9 158.1 29.0 -25.6 -40.4 12 18 A P E > -A 2 0A 65 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.471 32.6-128.4 -70.0 142.7 25.5 -25.3 -42.1 13 19 A R G > S+ 0 0 96 -12,-1.8 3,-1.1 1,-0.3 -11,-0.1 0.758 106.9 64.0 -57.8 -35.2 22.8 -27.2 -40.2 14 20 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -13,-0.2 0, 0.0 0.729 99.8 57.8 -61.0 -26.1 21.6 -29.0 -43.3 15 21 A T G < S+ 0 0 8 -3,-1.0 2,-0.8 1,-0.1 -1,-0.3 0.704 87.5 83.2 -79.0 -20.4 25.1 -30.5 -43.2 16 22 A V < - 0 0 3 -3,-1.1 4,-0.1 -4,-0.4 -1,-0.1 -0.797 62.3-165.9 -88.3 111.7 24.6 -32.0 -39.7 17 23 A L + 0 0 0 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.733 64.3 83.0 -69.6 -28.9 22.8 -35.3 -40.2 18 24 A A S S- 0 0 12 1,-0.1 88,-0.1 345,-0.0 2,-0.1 -0.476 100.5 -89.1 -72.4 149.2 21.9 -35.8 -36.5 19 25 A P - 0 0 3 0, 0.0 86,-2.7 0, 0.0 2,-0.3 -0.405 54.4-170.5 -65.8 142.2 18.8 -33.9 -35.4 20 26 A T E -B 104 0B 9 84,-0.2 2,-0.4 -4,-0.1 84,-0.2 -0.951 18.4-167.5-144.5 141.0 19.6 -30.4 -34.2 21 27 A T E -B 103 0B 23 82,-2.5 82,-2.4 -2,-0.3 2,-0.5 -0.990 5.3-163.6-134.5 139.0 17.9 -27.4 -32.5 22 28 A V E -B 102 0B 24 -2,-0.4 2,-0.5 80,-0.2 80,-0.2 -0.989 0.5-167.6-128.6 123.3 19.1 -23.9 -32.1 23 29 A V E -B 101 0B 1 78,-2.5 78,-2.6 -2,-0.5 2,-0.2 -0.944 12.7-161.1-106.9 130.7 17.6 -21.4 -29.7 24 30 A T E > -B 100 0B 47 -2,-0.5 4,-2.0 76,-0.2 76,-0.2 -0.604 34.2-107.0-102.3 170.1 18.6 -17.8 -30.1 25 31 A R H > S+ 0 0 64 74,-0.8 4,-3.2 -2,-0.2 5,-0.2 0.887 120.9 60.3 -62.7 -37.0 18.5 -14.9 -27.7 26 32 A Q H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 105.5 48.3 -58.1 -45.0 15.5 -13.6 -29.7 27 33 A D H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 111.9 48.1 -56.9 -50.9 13.6 -16.8 -28.9 28 34 A I H X>S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 5,-1.2 0.926 110.7 51.0 -61.7 -46.0 14.5 -16.7 -25.2 29 35 A D H <5S+ 0 0 41 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.930 112.5 46.5 -56.7 -43.4 13.4 -13.0 -24.9 30 36 A R H <5S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.3 48.0 -67.2 -39.9 10.1 -13.8 -26.6 31 37 A W H <5S- 0 0 29 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.782 99.4-142.4 -69.7 -23.4 9.4 -16.8 -24.4 32 38 A Q T <5 - 0 0 15 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.862 29.7-175.4 58.1 39.7 10.4 -14.7 -21.4 33 39 A S < - 0 0 9 -5,-1.2 -1,-0.2 1,-0.1 -2,-0.1 -0.508 21.2-168.6 -66.5 127.1 12.0 -17.7 -20.0 34 40 A T S S+ 0 0 60 -2,-0.3 2,-0.3 -3,-0.1 61,-0.2 0.170 70.9 28.4-102.1 17.1 13.4 -17.2 -16.5 35 41 A S S > S- 0 0 27 60,-0.1 4,-0.7 59,-0.1 56,-0.1 -0.969 77.8-115.2-159.0 168.0 15.4 -20.4 -16.3 36 42 A V H > S+ 0 0 1 54,-0.5 4,-3.1 57,-0.4 3,-0.3 0.810 112.7 64.8 -75.5 -32.4 17.3 -22.8 -18.6 37 43 A N H > S+ 0 0 6 1,-0.2 4,-3.2 53,-0.2 5,-0.2 0.970 100.5 49.9 -54.1 -51.7 14.9 -25.4 -17.7 38 44 A D H 4 S+ 0 0 31 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.765 112.5 47.8 -61.1 -29.1 12.1 -23.5 -19.3 39 45 A V H >< S+ 0 0 1 -4,-0.7 3,-1.3 -3,-0.3 -1,-0.2 0.961 116.6 41.9 -70.3 -54.7 14.1 -23.0 -22.5 40 46 A L H >< S+ 0 0 2 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.836 101.0 67.7 -63.3 -38.9 15.1 -26.7 -22.7 41 47 A R T 3< S+ 0 0 34 -4,-3.2 -1,-0.3 1,-0.3 -3,-0.1 0.654 95.9 60.5 -55.6 -24.3 11.8 -28.3 -21.8 42 48 A R T < S+ 0 0 24 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.381 88.9 89.0 -85.0 -4.9 10.4 -26.9 -25.1 43 49 A L S X S- 0 0 8 -3,-2.2 3,-1.5 1,-0.1 426,-0.0 -0.605 87.2 -79.4 -99.9 160.2 12.7 -28.8 -27.4 44 50 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 108.5 4.9 -60.6 136.5 12.5 -32.2 -29.1 45 51 A G T 3 S+ 0 0 4 1,-0.2 18,-3.1 408,-0.1 2,-0.5 0.538 95.5 130.0 74.7 4.8 13.4 -35.3 -27.0 46 52 A V E < -F 62 0C 1 -3,-1.5 2,-0.5 16,-0.2 -1,-0.2 -0.867 32.1-178.9 -97.8 125.7 13.9 -33.3 -23.8 47 53 A D E -F 61 0C 9 14,-1.9 14,-2.3 -2,-0.5 2,-0.4 -0.944 8.9-169.0-123.5 110.5 12.1 -34.4 -20.6 48 54 A I E -F 60 0C 23 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.820 4.7-173.1-105.7 132.3 12.7 -32.2 -17.5 49 55 A T E -F 59 0C 1 10,-2.2 10,-2.4 -2,-0.4 2,-0.4 -0.946 5.5-164.1-120.3 149.6 11.8 -33.0 -14.0 50 56 A Q E -F 58 0C 35 -2,-0.4 2,-0.8 8,-0.2 514,-0.5 -0.993 26.0-144.1-136.1 141.4 12.0 -30.8 -11.0 51 57 A N S S- 0 0 25 6,-2.7 2,-0.4 -2,-0.4 6,-0.2 -0.378 89.2 -31.1 -89.5 50.7 12.0 -31.2 -7.2 52 58 A G S S- 0 0 1 -2,-0.8 519,-0.2 516,-0.3 2,-0.2 -0.988 90.8 -65.7 137.9-139.1 10.1 -28.0 -6.8 53 59 A G S > S+ 0 0 7 1,-0.4 3,-2.2 -2,-0.4 -2,-0.1 -0.341 89.7 1.5-130.8-140.0 10.2 -24.8 -8.8 54 60 A S T 3 S+ 0 0 49 1,-0.3 -1,-0.4 -2,-0.2 3,-0.1 -0.179 130.0 11.1 -59.5 134.4 12.8 -22.2 -9.6 55 61 A G T 3 S+ 0 0 2 1,-0.3 -1,-0.3 36,-0.3 2,-0.2 0.247 99.9 111.9 90.9 -10.6 16.1 -22.9 -8.0 56 62 A Q S < S- 0 0 7 -3,-2.2 -1,-0.3 1,-0.2 -4,-0.1 -0.626 82.0 -71.3 -95.9 160.4 15.3 -26.5 -6.9 57 63 A L - 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0 0 21 -7,-2.3 2,-0.6 1,-0.1 -1,-0.1 -0.451 36.1-111.3 -60.6 132.7 29.7 -27.8 -17.1 80 86 A N - 0 0 22 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.554 35.6-174.3 -72.2 113.7 31.4 -27.9 -13.7 81 87 A L - 0 0 55 -2,-0.6 3,-0.2 1,-0.1 205,-0.1 -0.946 10.1-175.1-109.4 116.0 29.4 -30.2 -11.4 82 88 A A + 0 0 16 -2,-0.6 204,-0.3 1,-0.2 -1,-0.1 0.775 59.2 91.2 -71.3 -22.3 30.8 -30.2 -7.8 83 89 A G S S- 0 0 35 4,-0.1 -1,-0.2 202,-0.1 3,-0.1 0.586 78.3-132.6 -64.6 -43.4 28.4 -32.9 -6.6 84 90 A V S S+ 0 0 27 1,-0.8 304,-0.8 -3,-0.2 305,-0.3 0.299 83.0 96.7 93.0 -11.8 29.6 -36.5 -6.8 85 91 A S S S- 0 0 74 2,-0.1 -1,-0.8 303,-0.1 302,-0.1 -0.737 85.6-120.5 -93.3 165.7 26.4 -37.5 -8.4 86 92 A G S S+ 0 0 7 -2,-0.3 2,-0.4 -3,-0.1 298,-0.1 0.544 75.1 94.1 -84.7 -2.5 26.5 -37.6 -12.1 87 93 A S - 0 0 31 -18,-0.1 -19,-0.2 1,-0.0 -4,-0.1 -0.766 65.8-127.6-114.4 138.7 23.9 -35.0 -13.1 88 94 A A - 0 0 11 -2,-0.4 2,-0.4 -21,-0.4 -28,-0.2 -0.315 13.9-145.9 -63.0 147.5 23.8 -31.4 -13.9 89 95 A D > + 0 0 22 1,-0.1 3,-2.1 -32,-0.1 4,-0.3 -0.764 18.2 179.3-115.6 84.5 21.4 -29.1 -12.0 90 96 A L G > + 0 0 1 -2,-0.4 3,-0.6 1,-0.3 -54,-0.5 0.647 68.5 84.8 -60.9 -13.3 20.4 -26.5 -14.7 91 97 A S G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -33,-0.2 -36,-0.3 0.833 92.9 49.7 -52.0 -29.6 18.2 -24.8 -12.1 92 98 A Q G < S+ 0 0 7 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.697 82.8 94.8 -89.9 -25.7 21.4 -23.0 -11.1 93 99 A F S < S- 0 0 5 -3,-0.6 -57,-0.4 -4,-0.3 2,-0.3 -0.536 82.1-119.3 -72.2 125.9 22.8 -21.7 -14.4 94 100 A P > - 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