==== 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 MEMBRANE PROTEIN 12-FEB-08 3C8I . COMPND 2 MOLECULE: PUTATIVE MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE NCTC 13129 . AUTHOR R.ZHANG,C.HATZOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 2 0 0 0 1 3 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 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 . 2 0 3 0 5 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 2 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 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 15 A D 0 0 157 0, 0.0 60,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 110.4 1.3 4.7 20.7 2 16 A L E +A 60 0A 56 58,-0.2 58,-0.2 56,-0.0 0, 0.0 -0.522 360.0 170.4 -79.0 129.9 4.2 6.8 22.0 3 17 A V E -A 59 0A 10 56,-2.5 56,-2.4 -2,-0.3 2,-0.3 -0.978 34.7-108.7-135.7 151.5 7.3 7.2 19.6 4 18 A P E -A 58 0A 0 0, 0.0 16,-2.0 0, 0.0 2,-0.3 -0.566 36.1-178.9 -76.5 139.2 10.4 9.3 19.6 5 19 A A E -AB 57 19A 1 52,-1.0 52,-3.0 -2,-0.3 2,-0.3 -0.911 3.5-170.7-131.7 164.3 10.6 12.1 17.1 6 20 A M E -AB 56 18A 9 12,-1.9 12,-2.8 -2,-0.3 2,-0.5 -0.992 34.6 -99.0-156.2 142.2 13.4 14.5 16.4 7 21 A I E + B 0 17A 0 48,-2.1 47,-3.0 -2,-0.3 10,-0.3 -0.590 40.0 173.5 -66.3 120.0 14.0 17.6 14.3 8 22 A A E + 0 0 12 8,-3.2 2,-0.3 -2,-0.5 9,-0.2 0.592 63.4 14.6-105.1 -19.2 15.8 16.4 11.2 9 23 A E E - B 0 16A 47 7,-1.4 7,-2.5 43,-0.1 2,-0.4 -0.968 58.2-158.7-158.3 142.0 15.8 19.7 9.2 10 24 A V E + B 0 15A 46 -2,-0.3 5,-0.2 5,-0.2 43,-0.1 -0.995 16.9 172.8-127.6 128.9 15.2 23.4 9.8 11 25 A N - 0 0 47 3,-2.7 3,-0.2 -2,-0.4 -2,-0.0 -0.791 47.7 -93.6-127.1 167.3 14.3 25.9 7.1 12 26 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.915 120.5 12.7 -50.6 -48.9 13.2 29.5 7.2 13 27 A R S S+ 0 0 199 1,-0.0 2,-0.3 -3,-0.0 -3,-0.0 0.282 130.7 25.7-118.3 10.1 9.4 28.8 7.2 14 28 A D - 0 0 31 -3,-0.2 -3,-2.7 202,-0.0 2,-0.3 -0.977 56.2-155.0-158.8 170.3 9.2 25.1 8.0 15 29 A M E -BC 10 40A 1 25,-3.1 25,-2.7 -2,-0.3 2,-0.4 -0.921 14.9-130.1-144.7 168.7 10.9 22.1 9.6 16 30 A V E -BC 9 39A 3 -7,-2.5 -8,-3.2 -2,-0.3 -7,-1.4 -0.993 14.8-160.7-126.6 126.8 10.9 18.3 9.2 17 31 A V E -BC 7 38A 1 21,-2.5 21,-2.0 -2,-0.4 2,-0.4 -0.852 4.6-156.1-100.4 144.2 10.6 15.9 12.1 18 32 A M E -BC 6 37A 0 -12,-2.8 -12,-1.9 -2,-0.4 2,-0.3 -0.972 10.4-166.7-115.8 136.9 11.6 12.2 11.9 19 33 A A E -BC 5 36A 0 17,-2.9 17,-2.3 -2,-0.4 2,-0.7 -0.904 21.4-131.1-119.0 149.3 10.1 9.5 14.1 20 34 A L E + C 0 35A 1 -16,-2.0 2,-0.3 -2,-0.3 15,-0.2 -0.910 42.5 171.9 -97.3 115.7 11.1 5.9 14.8 21 35 A V E - C 0 34A 0 13,-2.7 13,-2.2 -2,-0.7 2,-0.6 -0.797 36.5-125.3-127.1 158.4 8.0 3.8 14.4 22 36 A N E - C 0 33A 43 -2,-0.3 11,-0.2 11,-0.2 52,-0.1 -0.938 16.4-166.7-103.4 118.6 6.9 0.2 14.3 23 37 A T + 0 0 0 9,-2.7 51,-2.5 -2,-0.6 2,-0.2 0.537 52.5 110.3 -87.1 -4.7 5.0 -0.7 11.2 24 38 A N B -F 73 0B 12 49,-0.2 49,-0.2 8,-0.2 -2,-0.1 -0.526 59.5-151.1 -68.9 137.2 3.7 -4.1 12.4 25 39 A V S S+ 0 0 31 47,-2.1 -1,-0.2 -2,-0.2 48,-0.1 0.846 88.3 69.2 -71.9 -35.8 -0.1 -4.0 12.9 26 40 A D > - 0 0 71 46,-0.5 3,-1.4 1,-0.1 -1,-0.1 -0.763 69.1-166.7 -86.3 106.4 0.4 -6.7 15.6 27 41 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.604 80.6 70.7 -74.4 -6.3 2.2 -5.0 18.5 28 42 A T T 3 S+ 0 0 117 2,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.548 83.9 86.1 -85.2 -7.4 3.1 -8.4 20.1 29 43 A L S < S- 0 0 81 -3,-1.4 3,-0.1 1,-0.1 -5,-0.1 -0.480 101.7 -83.2 -82.0 159.9 5.6 -9.2 17.3 30 44 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.442 68.9 -88.7 -58.1 139.0 9.2 -8.1 17.4 31 45 A P - 0 0 62 0, 0.0 2,-0.8 0, 0.0 -9,-0.1 -0.144 25.5-143.7 -61.2 146.2 9.1 -4.5 16.1 32 46 A R - 0 0 86 -3,-0.1 -9,-2.7 -8,-0.0 -8,-0.2 -0.860 31.9-145.9-100.8 89.1 9.4 -3.8 12.4 33 47 A W E +C 22 0A 86 -2,-0.8 94,-2.7 -11,-0.2 2,-0.3 -0.279 27.7 164.0 -69.3 139.8 11.4 -0.5 12.8 34 48 A A E -CD 21 126A 0 -13,-2.2 -13,-2.7 92,-0.3 2,-0.5 -0.977 33.8-124.2-148.0 158.8 10.9 2.3 10.3 35 49 A L E -CD 20 125A 0 90,-2.4 90,-2.5 -2,-0.3 2,-0.4 -0.924 25.9-171.4-108.5 131.6 11.6 6.0 9.9 36 50 A A E -CD 19 124A 0 -17,-2.3 -17,-2.9 -2,-0.5 2,-0.3 -0.975 3.5-161.2-124.7 136.8 8.7 8.4 9.3 37 51 A T E -C 18 0A 9 86,-1.8 2,-0.3 -2,-0.4 -19,-0.2 -0.854 7.2-173.9-120.8 154.7 9.0 12.1 8.4 38 52 A R E -C 17 0A 66 -21,-2.0 -21,-2.5 -2,-0.3 2,-0.5 -0.966 20.9-136.6-148.5 128.8 6.6 15.0 8.5 39 53 A N E +C 16 0A 80 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.729 38.5 163.5 -81.0 123.2 7.0 18.6 7.3 40 54 A I E -C 15 0A 0 -25,-2.7 -25,-3.1 -2,-0.5 175,-0.2 -0.871 36.6-145.0-135.5 172.9 5.6 20.9 9.9 41 55 A T S S+ 0 0 14 173,-2.5 2,-0.3 1,-0.3 174,-0.2 0.819 72.3 2.3-107.3 -40.5 5.8 24.6 10.8 42 56 A A - 0 0 19 172,-2.2 -1,-0.3 -27,-0.1 5,-0.1 -0.993 43.6-164.0-153.6 150.5 5.7 25.0 14.5 43 57 A I > - 0 0 4 3,-0.4 3,-2.9 -2,-0.3 41,-0.1 -0.981 38.7-109.0-135.7 127.6 5.6 23.1 17.8 44 58 A P T 3 S+ 0 0 20 0, 0.0 42,-0.1 0, 0.0 3,-0.1 -0.336 109.5 22.9 -55.6 125.9 4.7 24.8 21.1 45 59 A G T 3 S+ 0 0 49 1,-0.1 2,-1.0 -2,-0.1 5,-0.1 0.176 95.5 105.5 97.6 -14.1 7.9 25.0 23.1 46 60 A I < + 0 0 28 -3,-2.9 -3,-0.4 3,-0.1 2,-0.4 -0.750 46.6 146.3-106.9 91.2 10.2 24.8 20.1 47 61 A E > - 0 0 90 -2,-1.0 3,-1.6 -5,-0.1 2,-0.4 -0.975 61.7 -51.2-133.9 132.9 11.4 28.4 19.7 48 62 A G T 3 S+ 0 0 61 -2,-0.4 3,-0.5 1,-0.3 -2,-0.0 -0.118 129.4 34.0 47.3 -92.5 14.8 29.8 18.5 49 63 A D T 3 S+ 0 0 151 -2,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.899 125.6 40.7 -64.0 -47.7 17.5 28.0 20.6 50 64 A T S < S+ 0 0 57 -3,-1.6 2,-1.8 1,-0.2 -1,-0.3 0.550 92.8 93.9 -79.9 -9.5 15.7 24.6 20.8 51 65 A R + 0 0 65 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 -0.572 67.0 106.2 -82.8 77.1 14.6 24.9 17.1 52 66 A K S > S- 0 0 112 -2,-1.8 3,-2.0 -43,-0.0 -45,-0.3 -0.990 81.2 -75.7-150.9 158.0 17.5 23.0 15.7 53 67 A V T 3 S+ 0 0 79 -2,-0.3 -45,-0.2 1,-0.2 -36,-0.1 -0.293 115.9 30.9 -53.1 127.5 18.4 19.7 14.1 54 68 A G T 3 S+ 0 0 33 -47,-3.0 -1,-0.2 1,-0.3 2,-0.1 0.144 78.1 139.7 107.5 -17.2 18.6 17.1 16.9 55 69 A T < - 0 0 23 -3,-2.0 -48,-2.1 -5,-0.1 -1,-0.3 -0.388 54.5-120.1 -62.9 131.6 16.0 18.4 19.3 56 70 A R E -A 6 0A 139 -50,-0.2 -50,-0.3 -2,-0.1 -1,-0.1 -0.553 31.1-178.4 -75.4 135.7 13.9 15.6 20.9 57 71 A I E -A 5 0A 7 -52,-3.0 -52,-1.0 -2,-0.3 2,-0.1 -0.925 19.6-141.5-135.7 105.5 10.1 15.8 20.3 58 72 A P E +A 4 0A 4 0, 0.0 24,-2.4 0, 0.0 25,-0.5 -0.476 34.2 171.7 -70.2 144.1 7.9 13.1 21.8 59 73 A A E -AE 3 81A 0 -56,-2.4 -56,-2.5 22,-0.3 2,-0.4 -0.843 34.1-119.1-142.9 168.7 5.1 12.0 19.5 60 74 A V E -AE 2 80A 40 20,-2.0 20,-2.3 -2,-0.3 2,-0.9 -0.958 30.1-123.4-114.3 146.5 2.3 9.7 18.8 61 75 A A E - E 0 79A 19 -60,-2.2 2,-0.7 -2,-0.4 -59,-0.0 -0.771 22.7-158.9 -90.1 104.9 2.3 7.4 15.7 62 76 A V E - E 0 78A 42 16,-2.8 16,-2.7 -2,-0.9 2,-0.2 -0.778 14.7-144.6 -88.3 115.9 -0.9 8.1 13.8 63 77 A T E + E 0 77A 68 -2,-0.7 14,-0.2 14,-0.2 3,-0.1 -0.449 24.9 167.5 -85.6 147.5 -1.6 5.2 11.6 64 78 A G + 0 0 35 12,-2.6 -1,-0.1 1,-0.4 13,-0.1 0.148 51.0 15.4-119.5-120.4 -3.1 5.3 8.1 65 79 A Q - 0 0 94 9,-0.1 10,-2.8 -2,-0.0 11,-1.2 -0.350 60.7-166.5 -66.5 135.3 -3.4 2.7 5.3 66 80 A R E +G 74 0B 134 8,-0.3 2,-0.3 9,-0.2 8,-0.2 -0.957 10.4 170.6-120.4 144.2 -2.9 -0.9 6.3 67 81 A S E -G 73 0B 53 6,-2.1 6,-1.9 -2,-0.3 2,-0.5 -0.984 25.2-130.8-150.7 158.0 -2.4 -3.8 3.9 68 82 A V E +G 72 0B 106 -2,-0.3 4,-0.2 4,-0.2 2,-0.1 -0.951 46.0 124.5-116.8 113.9 -1.4 -7.5 4.1 69 83 A G S S- 0 0 61 2,-2.6 -1,-0.0 -2,-0.5 3,-0.0 -0.039 92.2 -21.5-121.4-114.7 1.3 -9.1 1.9 70 84 A N S S+ 0 0 171 -2,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.695 143.7 23.1 -71.0 -19.0 4.3 -11.0 3.3 71 85 A Q S S- 0 0 68 -4,-0.1 -2,-2.6 2,-0.1 2,-0.8 -0.949 80.9-122.0-138.6 159.4 3.6 -9.0 6.5 72 86 A D E + G 0 68B 51 -2,-0.3 -47,-2.1 -4,-0.2 -46,-0.5 -0.916 58.6 146.8-100.5 103.6 0.5 -7.2 7.9 73 87 A S E -FG 24 67B 8 -6,-1.9 -6,-2.1 -2,-0.8 2,-0.4 -0.921 54.0 -97.4-142.9 158.0 1.8 -3.7 8.3 74 88 A W E - G 0 66B 52 -51,-2.5 -8,-0.3 -2,-0.3 3,-0.1 -0.686 21.2-162.4 -74.5 129.7 0.9 0.0 8.1 75 89 A D S S+ 0 0 40 -10,-2.8 2,-0.4 -2,-0.4 -9,-0.2 0.689 80.2 33.4 -82.9 -24.1 1.7 1.6 4.8 76 90 A Q + 0 0 68 -11,-1.2 -12,-2.6 -53,-0.1 2,-0.3 -0.999 59.6 168.2-136.1 135.9 1.5 5.1 6.3 77 91 A I E -E 63 0A 8 -2,-0.4 -14,-0.2 45,-0.4 -40,-0.1 -0.960 12.7-165.9-142.5 128.7 2.3 6.4 9.7 78 92 A S E -E 62 0A 41 -16,-2.7 -16,-2.8 -2,-0.3 2,-0.2 -0.953 17.8-132.5-118.4 123.7 2.5 10.1 10.6 79 93 A P E -E 61 0A 0 0, 0.0 -18,-0.2 0, 0.0 -62,-0.1 -0.560 17.8-162.3 -74.7 139.1 4.2 11.3 13.8 80 94 A M E -E 60 0A 10 -20,-2.3 -20,-2.0 -2,-0.2 -2,-0.0 -0.974 22.8-121.3-118.6 117.3 2.2 13.9 15.7 81 95 A P E > -E 59 0A 1 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.297 11.1-140.0 -54.0 132.0 4.0 16.0 18.3 82 96 A I G >> S+ 0 0 24 -24,-2.4 3,-2.1 1,-0.2 4,-1.9 0.872 100.7 68.7 -58.3 -37.3 2.5 15.5 21.7 83 97 A A G 34 S+ 0 0 7 -25,-0.5 -1,-0.2 1,-0.3 5,-0.1 0.734 85.0 70.2 -57.8 -24.6 3.1 19.3 22.3 84 98 A W G <4 S+ 0 0 4 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.816 107.1 37.8 -57.5 -33.0 0.4 19.9 19.7 85 99 A A T <4 S- 0 0 13 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.895 143.4 -17.9 -82.9 -48.7 -2.1 18.6 22.3 86 100 A T < - 0 0 53 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 -0.910 44.1-155.2-157.4 133.1 -0.3 20.2 25.3 87 101 A P + 0 0 63 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 0.308 43.8 149.2 -87.7 10.5 3.2 21.7 25.8 88 102 A D > - 0 0 75 1,-0.1 4,-2.5 -5,-0.1 5,-0.3 -0.146 48.8-136.8 -45.7 126.3 3.0 21.1 29.6 89 103 A S H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.858 101.6 53.1 -63.9 -34.5 6.5 20.4 30.7 90 104 A S H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 112.5 47.0 -63.7 -42.2 5.6 17.4 33.0 91 105 A V H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.939 116.0 41.8 -63.8 -50.6 3.8 15.8 30.0 92 106 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 117.3 47.6 -69.7 -41.5 6.6 16.3 27.5 93 107 A A H X S+ 0 0 62 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.910 113.1 48.8 -66.0 -39.6 9.3 15.4 29.9 94 108 A R H X S+ 0 0 187 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.909 110.8 50.6 -66.6 -41.5 7.5 12.2 31.1 95 109 A A H X S+ 0 0 10 -4,-2.2 4,-1.4 1,-0.2 3,-0.2 0.914 109.5 50.5 -63.2 -45.6 6.8 11.2 27.5 96 110 A E H < S+ 0 0 43 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.914 113.1 45.7 -58.2 -43.3 10.5 11.6 26.6 97 111 A S H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.714 106.5 59.9 -73.8 -22.4 11.6 9.5 29.6 98 112 A T H < S+ 0 0 80 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.795 88.0 84.3 -74.2 -30.6 8.9 6.8 28.9 99 113 A I S < S- 0 0 6 -4,-1.4 5,-0.1 -3,-0.3 -96,-0.1 -0.617 96.7-105.8 -74.8 124.2 10.5 6.2 25.4 100 114 A P >> - 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