==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-FEB-07 2OXH . COMPND 2 MOLECULE: SOXZ PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR V.SAUVE,B.C.BERKS,A.M.HEMMINGS . 878 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 365 41.6 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 . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 73 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 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 0 0 PARALLEL BRIDGES PER LADDER . 16 0 6 4 8 10 7 11 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 . 4 0 0 0 0 2 2 4 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 1 Z A > 0 0 49 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 167.6 -19.0 -2.7 4.8 2 2 Z D T 3 + 0 0 152 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.605 360.0 6.8 -86.1 144.0 -19.5 -5.3 7.6 3 3 Z D T 3 + 0 0 143 -2,-0.2 2,-1.5 1,-0.2 -1,-0.2 0.843 66.9 167.8 56.8 43.3 -16.7 -6.5 9.8 4 4 Z A < - 0 0 17 -3,-0.5 -1,-0.2 22,-0.1 24,-0.1 -0.668 18.3-177.1 -85.3 85.0 -14.0 -4.1 8.6 5 5 Z K - 0 0 138 -2,-1.5 22,-1.1 -3,-0.1 2,-0.0 -0.762 16.5-141.2 -96.9 111.1 -11.7 -5.0 11.5 6 6 Z P E -A 26 0A 32 0, 0.0 2,-0.3 0, 0.0 20,-0.3 -0.369 14.4-170.6 -70.3 150.2 -8.4 -3.1 11.8 7 7 Z R E +A 25 0A 134 18,-2.9 18,-2.6 -2,-0.0 2,-0.5 -0.883 7.9 178.2-141.2 107.5 -5.2 -4.8 12.8 8 8 Z V E -A 24 0A 26 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.943 13.1-168.0-114.3 125.1 -2.1 -2.7 13.6 9 9 Z K E +A 23 0A 117 14,-2.5 14,-2.0 -2,-0.5 -2,-0.0 -0.960 32.4 136.2-105.2 114.8 1.3 -4.0 14.7 10 10 Z V - 0 0 24 -2,-0.6 12,-0.1 12,-0.2 -2,-0.1 -0.970 58.5 -96.0-149.5 142.0 3.5 -1.1 16.0 11 11 Z P - 0 0 63 0, 0.0 3,-0.0 0, 0.0 9,-0.0 -0.327 25.4-140.6 -49.5 143.2 5.8 -0.7 19.0 12 12 Z S S S+ 0 0 87 93,-0.1 94,-3.0 1,-0.1 2,-0.3 0.378 83.7 32.7 -92.3 0.9 4.1 1.2 21.9 13 13 Z S B +g 106 0B 75 92,-0.3 2,-0.3 94,-0.1 94,-0.2 -0.989 61.0 178.1-151.5 157.9 7.3 3.1 22.6 14 14 Z A - 0 0 7 92,-1.7 2,-0.2 -2,-0.3 3,-0.1 -0.968 35.5-103.9-148.5 155.5 10.3 4.5 20.8 15 15 Z K > - 0 0 59 -2,-0.3 3,-2.2 92,-0.2 66,-0.2 -0.524 60.7 -81.1 -70.2 153.0 13.4 6.5 21.7 16 16 Z A T 3 S+ 0 0 51 1,-0.3 66,-0.2 -2,-0.2 -1,-0.1 -0.438 120.7 12.0 -58.1 124.8 13.2 10.2 20.8 17 17 Z G T 3 S+ 0 0 33 64,-1.9 -1,-0.3 1,-0.3 65,-0.2 0.266 96.9 143.3 88.0 -8.7 14.0 10.4 17.1 18 18 Z E < - 0 0 96 -3,-2.2 63,-2.4 63,-0.5 2,-0.4 -0.374 49.9-126.3 -70.7 140.1 13.7 6.7 16.5 19 19 Z T E - B 0 80A 64 61,-0.2 2,-0.4 -2,-0.1 61,-0.2 -0.671 28.0-170.9 -75.0 128.6 12.3 5.0 13.3 20 20 Z V E - B 0 79A 5 59,-2.3 59,-2.6 -2,-0.4 2,-0.4 -0.984 21.5-125.0-123.8 141.2 9.6 2.5 14.0 21 21 Z T E - B 0 78A 54 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.696 23.6-156.2 -82.9 133.1 8.0 0.1 11.5 22 22 Z V E - B 0 77A 0 55,-3.0 55,-2.1 -2,-0.4 2,-0.5 -0.950 8.5-171.1-112.7 130.4 4.2 0.4 11.2 23 23 Z K E -AB 9 76A 76 -14,-2.0 -14,-2.5 -2,-0.4 2,-0.5 -0.976 9.1-179.6-124.1 116.4 2.2 -2.5 9.9 24 24 Z A E +AB 8 75A 0 51,-3.2 51,-2.6 -2,-0.5 2,-0.3 -0.968 6.4 165.2-126.6 125.5 -1.5 -1.9 9.2 25 25 Z L E -AB 7 74A 34 -18,-2.6 -18,-2.9 -2,-0.5 2,-0.3 -0.894 11.6-169.5-124.9 156.3 -4.2 -4.3 7.9 26 26 Z I E -A 6 0A 0 47,-1.0 2,-0.5 -2,-0.3 -22,-0.1 -0.980 32.6-107.1-139.9 149.9 -7.9 -4.2 7.8 27 27 Z S + 0 0 48 -22,-1.1 2,-0.3 -2,-0.3 -22,-0.1 -0.661 57.0 142.0 -74.1 120.0 -10.4 -7.0 7.0 28 28 Z H - 0 0 17 -2,-0.5 44,-2.9 -24,-0.1 -2,-0.1 -0.893 51.3-141.1-165.2 130.8 -12.0 -6.4 3.5 29 29 Z K - 0 0 164 -2,-0.3 3,-0.2 42,-0.2 42,-0.1 0.807 30.6-152.7 -59.7 -36.3 -13.0 -8.6 0.6 30 30 Z M - 0 0 0 16,-0.2 17,-0.2 1,-0.2 2,-0.2 0.920 7.2-153.5 57.7 48.4 -11.7 -6.0 -1.9 31 31 Z E B -H 46 0C 27 15,-1.1 15,-3.5 1,-0.2 -1,-0.2 -0.399 8.6-162.8 -54.8 119.7 -14.1 -7.1 -4.6 32 32 Z S - 0 0 2 13,-0.3 13,-0.3 -2,-0.2 -1,-0.2 0.603 28.2-119.2 -95.4 -19.3 -12.0 -5.9 -7.6 33 33 Z G S S+ 0 0 17 11,-0.3 12,-0.2 10,-0.3 -2,-0.1 0.262 97.8 86.6 95.5 -9.8 -14.6 -5.9 -10.4 34 34 Z Q + 0 0 70 8,-0.1 2,-0.1 10,-0.1 -3,-0.0 0.617 62.7 100.5 -92.4 -21.3 -12.6 -8.5 -12.4 35 35 Z R - 0 0 109 8,-0.3 8,-2.9 7,-0.1 2,-0.3 -0.437 58.8-150.3 -75.1 140.6 -14.2 -11.6 -10.8 36 36 Z K B -I 42 0D 138 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.790 4.7-139.1-105.8 152.5 -16.9 -13.5 -12.7 37 37 Z D > - 0 0 72 4,-2.0 3,-0.8 -2,-0.3 -1,-0.1 -0.264 39.6 -89.1 -92.3-171.5 -19.8 -15.6 -11.3 38 38 Z A T 3 S+ 0 0 116 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.729 130.4 57.6 -72.8 -26.4 -21.2 -18.9 -12.5 39 39 Z D T 3 S- 0 0 157 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.549 120.4-116.2 -72.4 -11.0 -23.6 -17.0 -14.8 40 40 Z G < + 0 0 42 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.611 69.2 141.6 82.6 14.3 -20.4 -15.5 -16.2 41 41 Z K - 0 0 124 1,-0.1 -4,-2.0 -5,-0.0 -1,-0.3 -0.696 57.5-110.9 -89.2 137.0 -21.3 -12.0 -15.0 42 42 Z L B -I 36 0D 80 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.1 -0.452 28.3-129.7 -62.2 135.8 -18.7 -9.6 -13.6 43 43 Z I - 0 0 40 -8,-2.9 -10,-0.3 -2,-0.1 -8,-0.3 -0.820 34.5-104.9 -89.5 125.9 -19.1 -9.0 -9.9 44 44 Z P - 0 0 109 0, 0.0 -11,-0.3 0, 0.0 -10,-0.1 -0.161 36.2-106.2 -57.5 141.3 -19.2 -5.2 -9.2 45 45 Z R + 0 0 70 -13,-0.3 -13,-0.3 -12,-0.2 2,-0.2 -0.298 42.4 164.7 -60.2 144.2 -16.1 -3.6 -7.7 46 46 Z S B +H 31 0C 44 -15,-3.5 -15,-1.1 2,-0.1 2,-0.2 -0.607 17.4 147.3-162.7 104.2 -16.1 -2.6 -4.0 47 47 Z I - 0 0 0 -17,-0.2 47,-2.9 -2,-0.2 2,-0.5 -0.749 56.4 -95.3-128.6 171.5 -12.8 -1.9 -2.4 48 48 Z I E -J 93 0E 0 45,-0.3 45,-0.3 -2,-0.2 3,-0.1 -0.846 40.7-170.3 -85.1 129.3 -11.2 0.3 0.2 49 49 Z N E + 0 0 38 43,-2.9 16,-2.3 -2,-0.5 2,-0.3 0.563 58.3 27.6-106.8 -9.9 -9.8 3.1 -1.9 50 50 Z R E -JK 92 64E 73 42,-0.9 42,-2.9 14,-0.2 2,-0.4 -0.986 53.3-172.2-154.7 138.8 -7.6 5.1 0.4 51 51 Z F E -JK 91 63E 0 12,-2.0 12,-3.7 -2,-0.3 2,-0.4 -0.997 10.6-174.9-129.9 133.9 -5.6 4.5 3.6 52 52 Z T E -JK 90 62E 8 38,-2.4 38,-2.5 -2,-0.4 2,-0.4 -0.970 9.3-166.6-126.8 149.0 -3.9 7.2 5.7 53 53 Z C E -JK 89 61E 0 8,-2.5 7,-3.4 -2,-0.4 8,-1.5 -0.990 10.8-176.9-132.7 126.5 -1.6 7.1 8.7 54 54 Z E E -JK 88 59E 57 34,-2.4 34,-2.2 -2,-0.4 2,-0.5 -0.942 14.4-156.5-120.6 144.5 -0.9 10.1 10.8 55 55 Z L E > S-JK 87 58E 6 3,-2.9 3,-1.0 -2,-0.4 32,-0.2 -0.986 81.3 -19.5-121.0 118.6 1.4 10.5 13.8 56 56 Z N T 3 S- 0 0 14 30,-2.3 -1,-0.1 -2,-0.5 31,-0.1 0.858 129.9 -48.2 51.9 43.2 0.5 13.4 16.1 57 57 Z G T 3 S+ 0 0 15 29,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.567 118.9 108.0 82.6 10.3 -1.6 15.2 13.5 58 58 Z V E < S-K 55 0E 13 -3,-1.0 -3,-2.9 116,-0.0 -1,-0.2 -0.975 74.3-111.1-126.0 127.3 1.1 14.9 10.8 59 59 Z N E +K 54 0E 32 -2,-0.4 117,-2.4 -5,-0.2 118,-0.4 -0.311 30.7 174.8 -57.9 133.9 0.8 12.5 7.8 60 60 Z V E S- 0 0 1 -7,-3.4 114,-1.9 1,-0.4 2,-0.3 0.764 75.3 -6.1 -95.5 -54.6 3.2 9.5 7.8 61 61 Z V E -KL 53 173E 1 -8,-1.5 -8,-2.5 112,-0.3 -1,-0.4 -0.986 53.4-165.1-141.7 152.3 1.7 7.9 4.6 62 62 Z D E -KL 52 172E 9 110,-1.9 110,-3.1 -2,-0.3 2,-0.5 -0.965 20.1-164.5-137.8 115.1 -1.3 8.5 2.4 63 63 Z V E -KL 51 171E 1 -12,-3.7 -12,-2.0 -2,-0.4 2,-0.6 -0.914 16.2-156.0-116.1 128.4 -2.1 5.6 0.1 64 64 Z A E -KL 50 170E 18 106,-2.7 106,-2.1 -2,-0.5 2,-0.4 -0.917 26.6-156.5-100.9 117.5 -4.3 5.6 -3.0 65 65 Z I E - L 0 169E 2 -16,-2.3 104,-0.2 -2,-0.6 -18,-0.1 -0.796 11.9-168.5-112.3 131.5 -5.5 2.0 -3.4 66 66 Z D > - 0 0 5 102,-2.5 3,-2.5 -2,-0.4 -18,-0.1 -0.746 42.5 -93.0-116.0 163.7 -6.7 0.3 -6.5 67 67 Z P T 3 S+ 0 0 4 0, 0.0 101,-0.1 0, 0.0 -33,-0.1 0.666 115.9 71.6 -51.1 -24.2 -8.4 -3.1 -7.1 68 68 Z A T 3 S+ 0 0 8 99,-0.6 119,-3.4 97,-0.2 2,-0.3 0.582 74.3 101.0 -69.5 -12.5 -5.1 -4.9 -7.6 69 69 Z V B < S-C 186 0A 0 -3,-2.5 117,-0.2 99,-0.3 3,-0.1 -0.614 84.7-105.4 -74.6 136.5 -4.3 -4.5 -3.9 70 70 Z S - 0 0 3 115,-2.2 73,-0.1 -2,-0.3 -1,-0.1 -0.046 37.3 -78.4 -69.7 160.8 -5.1 -7.9 -2.2 71 71 Z T S S+ 0 0 66 71,-0.4 -42,-0.2 1,-0.2 -1,-0.2 -0.349 119.5 26.0 -46.2 133.7 -8.0 -9.0 -0.1 72 72 Z N S S- 0 0 63 -44,-2.9 -1,-0.2 -3,-0.1 -45,-0.2 0.989 103.1-122.7 62.3 68.4 -7.4 -7.6 3.5 73 73 Z P - 0 0 0 0, 0.0 -47,-1.0 0, 0.0 2,-0.5 -0.044 30.1-163.6 -52.4 130.5 -5.3 -4.6 2.5 74 74 Z Y E +B 25 0A 28 111,-0.3 111,-0.6 -49,-0.2 2,-0.4 -0.971 10.5 178.5-121.5 127.7 -1.8 -4.6 4.1 75 75 Z F E -BD 24 184A 2 -51,-2.6 -51,-3.2 -2,-0.5 2,-0.4 -0.994 4.1-175.8-131.3 135.0 0.5 -1.6 4.3 76 76 Z E E +BD 23 183A 33 107,-2.0 107,-2.4 -2,-0.4 2,-0.3 -0.998 20.3 140.5-133.7 133.8 3.9 -1.4 6.0 77 77 Z F E -BD 22 182A 5 -55,-2.1 -55,-3.0 -2,-0.4 2,-0.5 -0.948 43.6 -91.4-166.0 171.0 5.9 1.8 6.2 78 78 Z D E -B 21 0A 8 103,-0.6 100,-2.5 101,-0.4 101,-0.7 -0.863 25.4-161.4-117.4 130.7 8.2 3.7 8.6 79 79 Z A E -BD 20 177A 0 -59,-2.6 -59,-2.3 -2,-0.5 2,-0.7 -0.802 16.1-139.2-105.7 140.8 7.5 6.5 11.1 80 80 Z K E -B 19 0A 79 96,-3.0 2,-0.9 -2,-0.4 -61,-0.2 -0.879 22.8-156.4 -95.1 109.6 9.8 9.0 12.7 81 81 Z V + 0 0 0 -63,-2.4 -64,-1.9 -2,-0.7 -63,-0.5 -0.779 26.8 160.6 -98.0 104.3 8.8 9.2 16.3 82 82 Z D + 0 0 65 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.817 64.5 1.5 -88.2 -34.8 9.8 12.5 17.9 83 83 Z A S S- 0 0 14 -67,-0.1 -1,-0.2 -66,-0.0 391,-0.0 -0.977 85.1 -75.4-153.7 157.6 7.5 12.7 20.9 84 84 Z A S S+ 0 0 19 -2,-0.3 2,-0.3 23,-0.2 431,-0.2 -0.165 75.9 89.5 -53.0 147.7 4.7 10.8 22.8 85 85 Z G E - 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