==== 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 19-FEB-07 2OX5 . COMPND 2 MOLECULE: SOXZ PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR S.BRUNO,V.SAUVE,B.C.BERKS,A.M.HEMMINGS . 870 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 367 42.2 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 . 11 1.3 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 . 1 0.1 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 . 76 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 5 3 4 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 . 11 0 7 5 8 10 6 12 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 . 6 0 0 0 0 4 0 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 35 0, 0.0 3,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.2 161.4 30.4 -2.4 2 2 Z D T 3 + 0 0 136 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.414 360.0 17.1 -78.1 159.7 158.3 32.7 -2.0 3 3 Z D T 3 + 0 0 149 1,-0.2 2,-1.4 -2,-0.1 -1,-0.2 0.719 69.1 156.1 53.0 33.0 156.4 34.3 -4.8 4 4 Z A < - 0 0 16 -3,-0.5 -1,-0.2 22,-0.1 24,-0.1 -0.716 22.2-178.9 -86.1 84.2 157.8 32.0 -7.5 5 5 Z K - 0 0 141 -2,-1.4 22,-0.8 -3,-0.1 2,-0.1 -0.809 18.9-139.7 -98.9 112.2 154.8 32.5 -9.8 6 6 Z P E -A 26 0A 16 0, 0.0 2,-0.4 0, 0.0 20,-0.3 -0.469 15.3-170.5 -66.9 138.6 154.9 30.6 -13.2 7 7 Z R E -A 25 0A 140 18,-3.4 18,-3.1 -2,-0.1 2,-0.4 -0.966 8.3-179.3-129.7 116.6 153.6 32.4 -16.3 8 8 Z V E -A 24 0A 2 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.976 13.2-163.9-119.7 128.9 153.2 30.2 -19.4 9 9 Z K E +A 23 0A 112 14,-2.9 14,-2.2 -2,-0.4 -2,-0.0 -0.947 33.1 133.1-109.7 115.1 152.0 31.3 -22.8 10 10 Z V - 0 0 23 -2,-0.6 12,-0.1 12,-0.2 -2,-0.1 -0.961 59.2 -93.4-157.5 139.9 150.9 28.5 -25.2 11 11 Z P - 0 0 62 0, 0.0 3,-0.1 0, 0.0 9,-0.0 -0.251 26.7-135.4 -54.1 147.1 147.9 28.1 -27.4 12 12 Z S S S+ 0 0 95 93,-0.1 94,-2.1 1,-0.1 2,-0.3 0.396 85.0 14.6 -87.9 -0.6 145.0 26.2 -25.8 13 13 Z S E -g 106 0B 57 92,-0.2 2,-0.3 71,-0.0 94,-0.2 -0.972 61.6-178.0-162.4 165.8 144.5 24.1 -28.9 14 14 Z A E -g 107 0B 5 92,-1.7 94,-2.0 -2,-0.3 2,-0.2 -0.964 40.6 -89.3-155.6 160.4 146.2 23.1 -32.2 15 15 Z K > - 0 0 136 -2,-0.3 3,-2.4 92,-0.2 66,-0.2 -0.578 65.9 -86.3 -69.4 139.6 145.5 21.0 -35.3 16 16 Z A T 3 S+ 0 0 54 1,-0.3 66,-0.3 -2,-0.2 -1,-0.1 -0.310 117.2 15.0 -51.7 125.5 146.7 17.4 -34.7 17 17 Z G T 3 S+ 0 0 29 64,-3.1 -1,-0.3 1,-0.3 65,-0.2 0.352 96.9 134.8 88.1 -3.1 150.5 17.2 -35.5 18 18 Z E E < - B 0 81A 87 -3,-2.4 63,-2.6 63,-0.7 2,-0.4 -0.432 56.8-117.7 -77.5 150.6 150.9 21.0 -35.6 19 19 Z T E - B 0 80A 65 61,-0.2 2,-0.4 -2,-0.1 61,-0.2 -0.730 28.2-168.5 -83.4 133.0 153.8 22.8 -33.9 20 20 Z V E - B 0 79A 4 59,-2.7 59,-2.6 -2,-0.4 2,-0.4 -0.957 19.5-127.9-118.1 148.3 153.1 25.2 -31.0 21 21 Z T E - B 0 78A 53 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.796 22.3-155.1 -93.5 134.1 155.5 27.7 -29.5 22 22 Z V E - B 0 77A 0 55,-3.4 55,-1.8 -2,-0.4 2,-0.5 -0.929 9.1-169.8-110.4 133.0 155.8 27.5 -25.7 23 23 Z K E -AB 9 76A 78 -14,-2.2 -14,-2.9 -2,-0.4 2,-0.5 -0.988 10.5-177.0-122.4 119.5 156.9 30.4 -23.6 24 24 Z A E +AB 8 75A 0 51,-3.2 51,-2.5 -2,-0.5 2,-0.3 -0.968 6.7 166.6-127.7 120.2 157.6 29.6 -19.9 25 25 Z L E -AB 7 74A 64 -18,-3.1 -18,-3.4 -2,-0.5 2,-0.3 -0.918 10.2-176.4-127.5 154.0 158.6 32.1 -17.2 26 26 Z I E -A 6 0A 0 47,-1.2 2,-0.5 -2,-0.3 -22,-0.1 -0.989 31.6-114.1-147.8 144.7 158.8 32.1 -13.4 27 27 Z S + 0 0 42 -22,-0.8 2,-0.3 -2,-0.3 3,-0.1 -0.701 52.8 142.5 -83.7 125.1 159.7 34.8 -11.0 28 28 Z H - 0 0 15 -2,-0.5 44,-2.8 -24,-0.1 -2,-0.1 -0.906 52.1-135.9-165.0 132.7 162.9 34.1 -9.2 29 29 Z K - 0 0 153 -2,-0.3 3,-0.2 42,-0.2 42,-0.2 0.770 29.4-153.2 -59.3 -30.5 165.9 36.2 -8.0 30 30 Z X - 0 0 0 1,-0.2 17,-0.2 16,-0.1 2,-0.1 0.918 10.5-149.0 51.3 50.9 168.4 33.6 -9.3 31 31 Z E B -H 46 0C 29 15,-1.1 15,-2.6 1,-0.2 -1,-0.2 -0.309 9.8-157.0 -51.3 114.5 171.0 34.7 -6.7 32 32 Z S - 0 0 5 13,-0.2 13,-0.3 -3,-0.2 -1,-0.2 0.806 24.0-120.3 -75.3 -32.7 174.1 33.9 -8.7 33 33 Z G S S+ 0 0 16 10,-0.4 12,-0.2 11,-0.3 -1,-0.1 0.341 98.9 82.4 102.1 -0.8 176.9 33.4 -6.1 34 34 Z Q + 0 0 49 186,-0.4 2,-0.2 10,-0.1 187,-0.1 0.447 62.9 104.4-113.2 -8.2 178.9 36.3 -7.6 35 35 Z R - 0 0 104 8,-0.4 8,-3.4 9,-0.0 2,-0.4 -0.544 59.3-145.6 -79.1 144.4 177.2 39.2 -5.9 36 36 Z K B -I 42 0D 115 6,-0.3 6,-0.2 -2,-0.2 186,-0.1 -0.903 7.1-134.9-112.9 139.2 178.9 41.0 -3.0 37 37 Z D > - 0 0 39 4,-2.6 3,-2.2 -2,-0.4 -1,-0.1 -0.089 46.9 -78.1 -75.9-176.8 177.3 42.5 -0.0 38 38 Z A T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.744 134.1 51.7 -56.0 -25.1 178.1 45.9 1.5 39 39 Z D T 3 S- 0 0 90 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.396 118.5-108.9 -94.3 -1.5 181.2 44.3 3.1 40 40 Z G S < S+ 0 0 43 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.551 73.7 137.5 84.5 7.7 182.5 42.8 -0.2 41 41 Z K - 0 0 87 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.700 61.0-105.5 -83.6 137.7 181.7 39.2 0.9 42 42 Z L B -I 36 0D 98 -2,-0.3 -6,-0.3 -6,-0.2 -8,-0.1 -0.394 25.3-132.1 -63.1 134.2 180.1 36.9 -1.7 43 43 Z I - 0 0 40 -8,-3.4 -8,-0.4 -2,-0.1 -10,-0.4 -0.824 35.7-108.4 -91.2 122.6 176.3 36.3 -1.4 44 44 Z P - 0 0 95 0, 0.0 -11,-0.3 0, 0.0 -10,-0.1 -0.072 34.1-101.8 -60.6 148.5 175.8 32.5 -1.7 45 45 Z R + 0 0 71 -13,-0.3 -13,-0.2 -12,-0.2 2,-0.2 -0.352 42.1 165.9 -66.8 145.7 174.1 31.1 -4.8 46 46 Z S B +H 31 0C 32 -15,-2.6 -15,-1.1 2,-0.1 2,-0.2 -0.637 21.0 143.9-158.6 102.0 170.5 30.0 -4.8 47 47 Z I - 0 0 0 -17,-0.2 47,-3.0 -2,-0.2 2,-0.6 -0.794 59.5 -91.9-129.7 169.1 168.8 29.4 -8.2 48 48 Z I E -J 93 0E 0 45,-0.3 45,-0.3 -2,-0.2 3,-0.1 -0.817 41.4-171.6 -76.4 123.4 166.4 27.3 -10.1 49 49 Z N E + 0 0 35 43,-2.4 16,-2.4 -2,-0.6 2,-0.3 0.423 59.5 25.4-103.6 -1.4 168.8 24.6 -11.4 50 50 Z R E -JK 92 64E 90 42,-0.8 42,-2.8 14,-0.3 2,-0.4 -0.943 52.9-172.0-165.5 141.5 166.4 22.7 -13.7 51 51 Z F E -JK 91 63E 0 12,-1.9 12,-3.1 -2,-0.3 2,-0.4 -1.000 10.2-173.2-135.8 131.4 163.2 23.2 -15.8 52 52 Z T E -JK 90 62E 6 38,-2.7 38,-2.2 -2,-0.4 2,-0.4 -0.970 9.6-164.6-124.7 144.6 161.2 20.5 -17.6 53 53 Z C E -JK 89 61E 0 8,-2.5 7,-3.3 -2,-0.4 8,-1.3 -0.998 12.4-175.0-122.4 129.2 158.3 20.7 -19.9 54 54 Z E E -JK 88 59E 69 34,-2.5 34,-2.6 -2,-0.4 2,-0.5 -0.945 14.6-155.6-119.3 141.8 156.3 17.6 -20.7 55 55 Z L E > S-JK 87 58E 8 3,-2.9 3,-1.9 -2,-0.4 32,-0.2 -0.984 85.8 -18.6-114.4 116.4 153.4 17.1 -23.1 56 56 Z N T 3 S- 0 0 71 30,-2.8 -1,-0.2 -2,-0.5 31,-0.1 0.907 129.6 -52.7 52.1 45.5 151.2 14.2 -22.1 57 57 Z G T 3 S+ 0 0 57 29,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.401 117.0 111.0 77.0 -0.7 153.9 12.8 -19.9 58 58 Z V E < S-K 55 0E 69 -3,-1.9 -3,-2.9 117,-0.0 -1,-0.2 -0.886 75.6-102.1-110.2 137.7 156.6 12.9 -22.6 59 59 Z N E +K 54 0E 31 -2,-0.4 118,-2.6 -5,-0.2 119,-0.4 -0.315 36.0 172.2 -65.9 131.2 159.5 15.3 -22.5 60 60 Z V E S- 0 0 2 -7,-3.3 115,-2.0 1,-0.4 2,-0.3 0.820 75.8 -13.7 -90.2 -56.2 159.5 18.4 -24.7 61 61 Z V E -KL 53 174E 1 -8,-1.3 -8,-2.5 113,-0.2 -1,-0.4 -0.992 53.0-164.2-147.1 148.7 162.6 20.0 -23.2 62 62 Z D E -KL 52 173E 37 111,-2.1 111,-2.6 -2,-0.3 2,-0.5 -0.976 17.3-164.5-136.3 118.4 164.7 19.4 -20.1 63 63 Z V E -KL 51 172E 1 -12,-3.1 -12,-1.9 -2,-0.4 2,-0.6 -0.939 15.1-151.8-116.9 121.0 167.0 22.3 -19.2 64 64 Z A E -KL 50 171E 24 107,-2.3 107,-1.9 -2,-0.5 2,-0.4 -0.818 28.8-153.0 -82.9 119.2 170.0 22.1 -16.8 65 65 Z I E - L 0 170E 2 -16,-2.4 105,-0.2 -2,-0.6 -18,-0.1 -0.851 14.2-170.4-109.9 132.4 170.2 25.6 -15.5 66 66 Z D > - 0 0 5 103,-2.2 3,-2.1 -2,-0.4 -18,-0.1 -0.633 43.2 -90.2-113.1 170.1 173.3 27.4 -14.2 67 67 Z P T 3 S+ 0 0 0 0, 0.0 102,-0.1 0, 0.0 153,-0.1 0.607 116.6 69.4 -57.3 -18.3 173.8 30.8 -12.4 68 68 Z A T 3 S+ 0 0 0 100,-0.6 120,-3.1 101,-0.2 2,-0.3 0.477 72.6 101.2 -80.6 -4.1 174.3 32.7 -15.6 69 69 Z V B < S-C 187 0A 0 -3,-2.1 118,-0.3 100,-0.3 3,-0.1 -0.663 84.8-106.3 -72.9 139.8 170.6 32.2 -16.6 70 70 Z S - 0 0 4 116,-2.2 74,-0.1 -2,-0.3 116,-0.1 -0.139 35.9 -80.1 -68.3 159.2 169.0 35.6 -15.8 71 71 Z T S S+ 0 0 66 72,-0.3 -42,-0.2 1,-0.2 -1,-0.1 -0.264 119.0 26.1 -41.6 141.9 166.6 36.5 -12.9 72 72 Z N S S- 0 0 71 -44,-2.8 -1,-0.2 1,-0.1 -45,-0.2 0.992 101.8-129.2 55.3 67.3 163.0 35.4 -13.7 73 73 Z P - 0 0 0 0, 0.0 -47,-1.2 0, 0.0 2,-0.4 -0.219 25.0-160.6 -58.4 135.1 164.2 32.6 -16.0 74 74 Z Y E -B 25 0A 57 112,-0.2 112,-0.5 -49,-0.2 2,-0.4 -0.965 9.7-176.7-117.4 131.7 162.6 32.5 -19.4 75 75 Z F E -B 24 0A 2 -51,-2.5 -51,-3.2 -2,-0.4 2,-0.4 -0.996 3.1-178.1-133.5 128.5 162.4 29.5 -21.8 76 76 Z E E +BD 23 184A 35 108,-2.1 108,-2.3 -2,-0.4 2,-0.3 -0.986 21.4 139.2-125.3 133.0 160.9 29.4 -25.3 77 77 Z F E -BD 22 183A 4 -55,-1.8 -55,-3.4 -2,-0.4 2,-0.4 -0.926 45.1 -99.1-164.7 175.0 160.8 26.2 -27.4 78 78 Z D E -B 21 0A 7 104,-0.5 101,-2.3 102,-0.4 102,-0.7 -0.943 25.1-163.4-125.4 129.9 158.5 24.3 -29.7 79 79 Z A E -BD 20 178A 0 -59,-2.6 -59,-2.7 -2,-0.4 2,-0.7 -0.848 17.4-134.3-112.2 142.3 156.3 21.4 -29.0 80 80 Z K E -B 19 0A 85 97,-2.7 2,-1.0 -2,-0.4 -61,-0.2 -0.867 17.5-154.5 -96.3 118.5 154.6 19.0 -31.5 81 81 Z V E +B 18 0A 0 -63,-2.6 -64,-3.1 -2,-0.7 -63,-0.7 -0.748 30.6 155.4 -98.8 93.0 151.0 18.5 -30.5 82 82 Z D S S+ 0 0 97 -2,-1.0 2,-0.3 -66,-0.3 -1,-0.2 0.682 70.3 9.6 -88.5 -21.7 149.9 15.0 -31.9 83 83 Z A S S- 0 0 54 -3,-0.2 -1,-0.2 -67,-0.1 2,-0.0 -0.985 83.7 -93.4-156.8 156.7 147.1 14.5 -29.4 84 84 Z A + 0 0 59 -2,-0.3 2,-0.3 -3,-0.1 22,-0.2 -0.290 68.5 88.1 -73.2 156.8 145.2 16.4 -26.8 85 85 Z G E S- M 0 105E 34 20,-2.4 20,-2.7 -2,-0.0 2,-0.3 -0.912 71.1 -47.2 161.2-119.6 145.9 16.4 -23.1 86 86 Z E E - 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