==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-JAN-13 4INN . COMPND 2 MOLECULE: HP1028; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR N.BARISON,L.CENDRON,V.LOCONTE,G.ZANOTTI . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.5 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 . 118 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 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 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 . 4 4 4 2 0 4 2 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 0 0 0 0 0 0 0 2 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 16 A T 0 0 195 0, 0.0 2,-0.3 0, 0.0 97,-0.0 0.000 360.0 360.0 360.0 162.9 45.2 -17.8 123.0 2 17 A V - 0 0 45 94,-0.1 2,-0.3 71,-0.0 94,-0.1 -0.673 360.0-177.7 -88.7 144.9 42.3 -15.7 124.1 3 18 A E - 0 0 106 -2,-0.3 71,-0.0 2,-0.2 70,-0.0 -0.891 33.0-122.5-136.7 165.5 42.5 -12.0 124.2 4 19 A L S S+ 0 0 0 -2,-0.3 19,-0.3 92,-0.0 -1,-0.1 0.915 81.9 95.6 -80.1 -43.1 40.1 -9.2 125.3 5 20 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 -0.242 63.8 84.8 -55.9 135.7 39.9 -7.3 122.1 6 21 A G E S-A 23 0A 13 17,-1.3 17,-2.4 2,-0.0 2,-0.4 -0.951 80.4 -72.8 156.6 177.2 36.9 -8.5 120.3 7 22 A I E -A 22 0A 3 116,-0.4 116,-2.8 -2,-0.3 2,-0.3 -0.903 45.8-179.3-110.8 137.9 33.2 -8.0 120.0 8 23 A Y E -AB 21 122A 0 13,-2.5 13,-2.1 -2,-0.4 2,-0.5 -0.887 26.2-127.4-132.9 162.7 30.8 -9.3 122.7 9 24 A Q E -AB 20 121A 44 112,-2.3 112,-1.6 -2,-0.3 11,-0.2 -0.970 29.8-138.3-115.4 120.2 27.1 -9.3 123.3 10 25 A T - 0 0 13 9,-3.0 2,-0.5 -2,-0.5 110,-0.1 -0.106 21.0-101.8 -74.0 172.8 26.1 -7.9 126.7 11 26 A Q - 0 0 83 7,-0.1 -1,-0.1 6,-0.1 109,-0.1 -0.836 30.9-116.4-102.8 127.3 23.4 -9.3 129.0 12 27 A E + 0 0 138 -2,-0.5 2,-0.3 6,-0.1 5,-0.2 -0.382 39.8 172.0 -52.0 133.6 20.0 -7.9 129.2 13 28 A F B > -J 16 0B 30 3,-2.5 3,-2.1 1,-0.1 2,-0.0 -0.852 53.4 -50.8-155.0 119.9 19.3 -6.4 132.7 14 29 A L T 3 S- 0 0 66 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.303 122.8 -14.8 49.9-127.7 16.2 -4.4 133.6 15 30 A Y T 3 S+ 0 0 136 -3,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.364 116.3 100.6 -83.5 5.3 15.7 -1.5 131.2 16 31 A X B < -J 13 0B 52 -3,-2.1 -3,-2.5 -5,-0.0 2,-0.1 -0.831 68.7-145.7 -97.1 110.4 19.2 -2.0 129.8 17 32 A K - 0 0 71 -2,-0.8 -7,-0.1 -5,-0.2 -6,-0.1 -0.414 24.0 -91.7 -76.7 146.4 19.0 -3.9 126.6 18 33 A S + 0 0 18 -2,-0.1 20,-1.8 19,-0.1 21,-0.4 -0.257 55.4 179.9 -44.0 130.9 21.4 -6.5 125.3 19 34 A S E - C 0 37A 18 18,-0.3 -9,-3.0 19,-0.1 2,-0.5 -0.944 30.8-116.7-140.5 160.0 23.9 -4.6 123.0 20 35 A F E +AC 9 36A 12 16,-3.3 15,-3.0 -2,-0.3 16,-1.0 -0.895 38.4 179.9 -98.6 130.7 26.9 -5.4 120.9 21 36 A V E -AC 8 34A 1 -13,-2.1 -13,-2.5 -2,-0.5 2,-0.5 -0.967 20.2-140.0-132.0 148.9 30.1 -3.8 122.1 22 37 A E E -AC 7 33A 7 11,-2.2 11,-1.8 -2,-0.3 2,-0.3 -0.945 9.0-156.9-111.9 127.1 33.8 -3.8 121.0 23 38 A F E +AC 6 32A 0 -17,-2.4 -17,-1.3 -2,-0.5 2,-0.3 -0.759 20.7 168.8 -92.8 142.2 36.8 -3.9 123.4 24 39 A F E - C 0 31A 11 7,-2.4 7,-2.9 -2,-0.3 2,-0.3 -0.969 27.4-122.3-145.6 158.6 40.2 -2.6 122.1 25 40 A E E + C 0 30A 102 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.779 26.5 171.0-100.6 153.0 43.6 -1.7 123.6 26 41 A H E > S- C 0 29A 58 3,-2.8 3,-1.8 -2,-0.3 -2,-0.0 -0.888 71.3 -4.8-159.3 129.0 45.4 1.6 123.5 27 42 A N T 3 S- 0 0 133 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.853 130.7 -57.0 52.5 38.4 48.6 2.7 125.3 28 43 A G T 3 S+ 0 0 49 1,-0.2 42,-0.4 41,-0.0 2,-0.3 0.325 118.8 96.0 80.5 -5.7 48.5 -0.7 127.0 29 44 A K E < -C 26 0A 79 -3,-1.8 -3,-2.8 40,-0.1 2,-0.3 -0.798 69.9-116.7-114.4 162.6 45.0 -0.4 128.6 30 45 A F E +CD 25 68A 23 38,-2.8 38,-2.1 -2,-0.3 2,-0.3 -0.746 30.4 174.6-106.0 144.5 41.7 -1.7 127.4 31 46 A Y E -C 24 0A 18 -7,-2.9 -7,-2.4 -2,-0.3 2,-0.3 -0.855 12.5-150.4-135.8 166.6 38.6 0.3 126.4 32 47 A A E -CD 23 65A 0 33,-2.1 32,-2.0 -2,-0.3 33,-1.8 -0.998 8.1-174.5-145.2 149.6 35.1 -0.4 125.0 33 48 A Y E -CD 22 63A 0 -11,-1.8 -11,-2.2 -2,-0.3 2,-0.3 -0.891 31.3-106.3-132.6 163.0 32.5 1.4 122.8 34 49 A G E -C 21 0A 4 28,-1.0 27,-2.6 -2,-0.3 -13,-0.2 -0.720 24.8-177.5 -95.8 141.4 29.0 0.4 121.8 35 50 A I E - 0 0 9 -15,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.876 59.8 -47.2 -98.9 -61.0 28.1 -0.7 118.2 36 51 A S E -C 20 0A 34 -16,-1.0 -16,-3.3 24,-0.1 -1,-0.4 -0.970 56.9 -88.2-163.8 167.2 24.4 -1.3 118.3 37 52 A D E > -C 19 0A 6 4,-0.5 3,-1.8 -2,-0.3 -18,-0.3 -0.547 40.9-114.6 -79.6 152.5 21.6 -2.9 120.3 38 53 A V T 3 S+ 0 0 61 -20,-1.8 -19,-0.1 1,-0.3 -1,-0.1 0.827 114.2 58.7 -56.0 -36.9 20.7 -6.5 119.5 39 54 A D T 3 S- 0 0 95 -21,-0.4 -1,-0.3 1,-0.1 -20,-0.1 0.204 113.3-114.8 -84.1 15.3 17.3 -5.5 118.2 40 55 A G < + 0 0 62 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.391 59.3 159.7 74.2 -1.7 18.8 -3.2 115.5 41 56 A S - 0 0 46 1,-0.1 -4,-0.5 -5,-0.0 -1,-0.2 0.028 44.8 -89.2 -63.3 163.1 17.3 -0.1 117.0 42 57 A K - 0 0 185 1,-0.1 2,-0.1 -6,-0.1 -1,-0.1 -0.410 41.5-103.2 -76.0 144.7 18.6 3.4 116.3 43 58 A A - 0 0 34 -2,-0.1 2,-0.2 -8,-0.1 -1,-0.1 -0.421 41.5-158.3 -61.4 138.1 21.4 5.0 118.3 44 59 A K - 0 0 103 -2,-0.1 15,-1.7 1,-0.1 16,-0.3 -0.527 19.9 -87.9-116.7 177.9 20.1 7.7 120.6 45 60 A K B -K 58 0C 111 13,-0.2 2,-1.9 -2,-0.2 13,-0.2 -0.534 33.9-111.1 -91.5 157.8 21.6 10.7 122.4 46 61 A D > + 0 0 0 11,-2.3 3,-1.5 8,-0.3 11,-0.2 -0.411 52.5 158.7 -83.3 66.5 23.3 10.8 125.7 47 62 A K T 3 + 0 0 158 -2,-1.9 -1,-0.2 1,-0.3 8,-0.1 0.756 64.7 53.8 -68.0 -27.2 20.6 12.7 127.4 48 63 A L T 3 S+ 0 0 90 36,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.325 71.5 134.4 -92.6 6.2 21.4 11.8 131.0 49 64 A N < - 0 0 12 -3,-1.5 6,-0.1 1,-0.2 5,-0.1 -0.401 57.6-138.8 -58.2 125.1 25.0 12.9 131.0 50 65 A P S S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 38,-0.0 0.860 93.0 74.6 -45.4 -40.5 25.7 14.8 134.2 51 66 A N S > S- 0 0 68 1,-0.1 3,-2.5 2,-0.0 4,-0.4 -0.691 75.1-155.1 -82.0 108.6 27.7 17.1 131.9 52 67 A P G > S+ 0 0 88 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.777 92.0 61.7 -53.3 -31.6 25.3 19.3 129.7 53 68 A K G 3 S+ 0 0 186 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.425 103.8 50.9 -75.7 -1.5 27.9 19.8 127.0 54 69 A L G X S+ 0 0 47 -3,-2.5 3,-1.3 -5,-0.1 -8,-0.3 0.449 79.5 94.3-109.3 -6.6 27.9 16.0 126.4 55 70 A R T < S+ 0 0 107 -3,-1.0 -2,-0.1 -4,-0.4 -1,-0.1 0.507 78.7 61.8 -72.0 -1.4 24.2 15.4 126.1 56 71 A N T 3 S+ 0 0 124 -11,-0.1 -1,-0.3 -4,-0.1 -9,-0.1 0.621 80.8 98.6 -97.6 -21.1 24.4 15.7 122.3 57 72 A R S < S- 0 0 62 -3,-1.3 -11,-2.3 -11,-0.2 -3,-0.0 -0.309 76.7-106.3 -71.7 155.8 26.7 12.7 121.5 58 73 A S B -K 45 0C 43 -13,-0.2 -13,-0.2 2,-0.2 -1,-0.1 -0.270 11.8-131.4 -73.7 160.1 25.5 9.3 120.4 59 74 A D S S+ 0 0 6 -15,-1.7 2,-0.4 2,-0.1 -25,-0.2 0.412 92.4 70.5 -88.1 3.0 25.4 6.2 122.6 60 75 A K S S+ 0 0 24 -16,-0.3 -2,-0.2 1,-0.1 -25,-0.2 -0.949 98.2 20.2-122.5 137.6 27.1 4.4 119.7 61 76 A G S S+ 0 0 10 -27,-2.6 2,-0.4 -2,-0.4 -1,-0.1 0.496 100.9 113.4 86.7 6.5 30.7 4.8 118.5 62 77 A V S S- 0 0 10 -28,-0.2 -28,-1.0 -3,-0.1 2,-0.4 -0.906 73.7-111.2-120.2 139.0 31.5 6.3 121.9 63 78 A V E +D 33 0A 12 78,-0.5 -30,-0.3 -2,-0.4 3,-0.1 -0.511 39.5 161.5 -69.2 118.1 33.8 5.0 124.6 64 79 A F E + 0 0 30 -32,-2.0 18,-3.3 -2,-0.4 2,-0.4 0.532 65.9 52.4-109.5 -14.7 31.9 4.0 127.7 65 80 A L E +DE 32 81A 0 -33,-1.8 -33,-2.1 16,-0.2 2,-0.3 -0.988 67.1 161.0-127.6 132.3 34.6 1.8 129.3 66 81 A S E + E 0 80A 26 14,-1.6 14,-2.2 -2,-0.4 -35,-0.2 -0.953 42.9 32.3-145.5 159.3 38.1 2.9 129.9 67 82 A D E + 0 0 72 -2,-0.3 2,-0.4 1,-0.2 -36,-0.2 0.569 59.6 162.4 76.0 23.1 41.3 2.2 131.8 68 83 A L E -D 30 0A 0 -38,-2.1 -38,-2.8 12,-0.1 2,-0.5 -0.590 21.5-158.2 -74.4 126.4 41.2 -1.6 132.2 69 84 A I E -F 77 0A 62 8,-3.1 8,-2.4 -2,-0.4 2,-0.5 -0.914 16.8-126.1-107.4 131.5 44.6 -3.1 133.1 70 85 A K E +F 76 0A 96 -2,-0.5 6,-0.3 -42,-0.4 3,-0.1 -0.623 34.3 167.3 -68.9 119.5 45.5 -6.7 132.4 71 86 A V E + 0 0 87 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.530 65.0 13.1-110.8 -16.0 46.8 -8.1 135.8 72 87 A G E > S-F 75 0A 31 3,-1.6 3,-1.7 1,-0.0 -1,-0.2 -0.920 96.8 -80.3-150.7 176.5 46.8 -11.9 134.9 73 88 A K T 3 S+ 0 0 158 1,-0.3 -71,-0.0 -2,-0.3 -3,-0.0 0.798 130.5 10.6 -58.2 -31.9 46.6 -14.0 131.8 74 89 A R T 3 S+ 0 0 78 -71,-0.0 22,-2.3 -70,-0.0 2,-0.4 -0.069 112.3 99.8-129.7 36.0 42.8 -13.7 131.7 75 90 A S E < +FG 72 95A 47 -3,-1.7 -4,-2.7 20,-0.2 -3,-1.6 -0.972 41.0 178.7-140.4 135.5 42.2 -11.0 134.3 76 91 A Y E +FG 70 94A 6 18,-2.9 18,-1.9 -2,-0.4 2,-0.3 -0.964 5.6 166.2-137.9 144.4 41.6 -7.3 134.2 77 92 A K E +F 69 0A 115 -8,-2.4 -8,-3.1 -2,-0.3 16,-0.2 -0.920 45.7 57.0-145.6 174.7 40.9 -4.4 136.7 78 93 A G E + 0 0 55 -2,-0.3 15,-0.2 32,-0.3 -1,-0.1 0.525 68.0 144.6 83.8 7.9 40.7 -0.7 137.3 79 94 A G E - G 0 92A 0 13,-1.8 13,-2.5 -10,-0.1 2,-0.4 -0.304 36.1-153.0 -82.0 161.2 38.1 0.1 134.7 80 95 A K E -EG 66 91A 83 -14,-2.2 -14,-1.6 11,-0.3 2,-0.5 -0.988 7.8-161.4-135.3 125.4 35.4 2.6 134.7 81 96 A A E -EG 65 90A 6 9,-3.1 9,-2.4 -2,-0.4 2,-0.3 -0.921 8.0-150.3-110.7 119.9 32.1 2.3 132.8 82 97 A Y E - G 0 89A 26 -18,-3.3 2,-0.5 -2,-0.5 7,-0.2 -0.670 16.5-146.8 -75.9 141.1 29.8 5.1 132.0 83 98 A N E >>> - G 0 88A 21 5,-2.2 4,-2.8 -2,-0.3 3,-1.7 -0.926 10.3-163.6-117.6 111.3 26.2 3.9 131.7 84 99 A F T 345S+ 0 0 23 -2,-0.5 -36,-0.4 1,-0.3 -1,-0.1 0.777 86.2 64.8 -63.2 -31.1 23.9 5.7 129.2 85 100 A Y T 345S+ 0 0 49 1,-0.2 -1,-0.3 3,-0.1 -70,-0.0 0.538 124.8 9.1 -71.1 -8.7 20.7 4.4 130.7 86 101 A D T <45S- 0 0 35 -3,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.479 93.6-117.6-148.8 -10.4 21.2 6.3 134.0 87 102 A G T <5S+ 0 0 6 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.502 70.5 127.0 85.1 5.9 24.2 8.7 133.7 88 103 A K E < -G 83 0A 114 -5,-0.5 -5,-2.2 -39,-0.1 2,-0.4 -0.667 53.3-136.4-102.1 152.7 26.3 7.0 136.3 89 104 A T E -G 82 0A 76 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.846 22.4-167.0-107.0 137.6 29.9 5.7 136.2 90 105 A Y E -G 81 0A 18 -9,-2.4 -9,-3.1 -2,-0.4 2,-0.3 -0.951 25.3-112.5-127.3 148.5 30.7 2.4 137.7 91 106 A Y E -GH 80 107A 76 16,-1.8 16,-2.4 -2,-0.3 2,-0.4 -0.603 39.8-158.8 -76.7 139.7 34.0 0.6 138.6 92 107 A V E +GH 79 106A 4 -13,-2.5 -13,-1.8 -2,-0.3 2,-0.3 -0.971 19.7 175.7-127.8 134.7 34.5 -2.4 136.4 93 108 A R E - 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