==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-AUG-10 3OAN . COMPND 2 MOLECULE: ABR034WP; . SOURCE 2 ORGANISM_SCIENTIFIC: ASHBYA GOSSYPII; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW Y . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 79.3 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 . 50 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 0 0 0 0 1 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 . 0 1 1 0 1 0 0 2 0 0 0 0 0 1 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 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 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 8 A E 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.3 17.7 25.2 8.0 2 9 A N + 0 0 70 2,-0.0 35,-2.6 34,-0.0 36,-0.5 0.094 360.0 99.0 -96.1 20.3 17.1 27.9 10.6 3 10 A E E -A 36 0A 25 33,-0.3 2,-0.3 34,-0.1 33,-0.2 -0.897 55.5-149.2-120.0 139.5 20.2 27.2 12.8 4 11 A E E -A 35 0A 68 31,-3.0 31,-2.0 -2,-0.4 2,-0.6 -0.739 26.1-120.4 -95.2 151.0 23.7 28.7 13.1 5 12 A V E +A 34 0A 77 -2,-0.3 29,-0.2 29,-0.2 3,-0.1 -0.834 30.5 174.1 -94.5 116.1 26.7 26.6 14.2 6 13 A L E S+ 0 0 47 27,-3.4 2,-0.3 -2,-0.6 28,-0.2 0.637 73.7 4.9 -93.6 -19.1 28.2 27.9 17.4 7 14 A F E -A 33 0A 13 26,-1.0 26,-2.1 100,-0.0 -1,-0.4 -0.943 60.8-178.2-162.8 142.8 30.7 25.0 17.7 8 15 A C E +A 32 0A 49 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.891 22.3 135.3-152.9 119.9 31.6 22.0 15.5 9 16 A E E -A 31 0A 72 22,-1.9 22,-3.2 -2,-0.3 2,-0.2 -0.988 56.0 -89.5-161.1 152.4 34.1 19.2 16.3 10 17 A K E +A 30 0A 99 -2,-0.3 86,-0.5 20,-0.2 2,-0.3 -0.477 55.6 170.2 -62.2 132.1 34.8 15.5 16.3 11 18 A A E -A 29 0A 4 18,-2.9 18,-2.8 -2,-0.2 2,-0.4 -0.956 31.1-138.3-145.3 161.4 33.6 14.0 19.6 12 19 A K E -AB 28 94A 70 82,-2.2 82,-2.8 -2,-0.3 2,-0.5 -0.971 19.9-139.0-120.9 139.8 33.0 10.7 21.3 13 20 A L E -AB 27 93A 2 14,-2.7 13,-3.6 -2,-0.4 14,-0.8 -0.871 18.9-171.8-101.1 129.5 30.0 10.1 23.5 14 21 A L E -AB 25 92A 25 78,-2.8 78,-2.6 -2,-0.5 2,-0.3 -0.967 3.1-176.9-122.0 140.3 30.4 8.2 26.7 15 22 A I E -A 24 0A 25 9,-2.1 9,-2.4 -2,-0.4 76,-0.1 -0.992 35.0-100.4-137.1 139.1 27.6 7.0 29.0 16 23 A F E -A 23 0A 87 74,-0.4 2,-0.7 -2,-0.3 7,-0.3 -0.351 29.9-148.2 -64.7 133.1 27.7 5.2 32.3 17 24 A D E >> -A 22 0A 45 5,-2.6 4,-3.0 1,-0.1 5,-1.0 -0.908 4.2-159.8-109.3 107.0 27.2 1.5 32.1 18 25 A S T 45S+ 0 0 93 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.716 94.8 48.7 -61.1 -23.3 25.5 0.2 35.2 19 26 A D T 45S+ 0 0 140 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.927 118.2 37.3 -76.3 -53.4 26.7 -3.4 34.3 20 27 A T T 45S- 0 0 91 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.736 101.0-137.0 -67.1 -25.8 30.3 -2.3 33.6 21 28 A K T <5S+ 0 0 175 -4,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.732 74.4 70.4 66.1 27.1 30.1 0.2 36.5 22 29 A G E -AC 3 39A 64 6,-2.0 3,-0.7 3,-0.5 -33,-0.3 -0.483 21.5-143.7 -62.3 121.3 18.0 29.2 16.0 37 44 A K T 3 S+ 0 0 136 -35,-2.6 -1,-0.2 -2,-0.3 3,-0.2 0.809 102.2 43.9 -55.9 -32.3 19.0 32.3 14.1 38 45 A D T 3 S+ 0 0 120 -36,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.656 120.2 39.7 -87.1 -19.7 15.5 33.7 14.9 39 46 A D E X -C 36 0A 64 -3,-0.7 3,-1.4 3,-0.2 -3,-0.5 -0.906 55.7-171.6-140.4 105.5 15.4 32.7 18.6 40 47 A K E 3 S+ 0 0 126 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.549 86.6 67.6 -74.5 -6.9 18.5 32.9 20.8 41 48 A G E 3 S+ 0 0 30 1,-0.1 2,-0.8 -5,-0.1 -1,-0.3 0.512 84.1 82.2 -87.0 -7.2 16.6 31.1 23.5 42 49 A K E < + 0 0 122 -3,-1.4 -6,-2.0 -6,-0.2 2,-0.4 -0.848 57.6 153.8-105.6 100.6 16.6 27.9 21.4 43 50 A V E +C 35 0A 6 -2,-0.8 18,-2.6 18,-0.3 2,-0.3 -0.988 8.5 159.0-131.5 134.2 20.0 26.1 21.8 44 51 A R E -CD 34 60A 56 -10,-2.4 -10,-2.8 -2,-0.4 2,-0.4 -0.949 34.2-123.2-145.3 162.8 20.8 22.4 21.4 45 52 A V E -CD 33 59A 0 14,-2.7 14,-1.6 -2,-0.3 2,-0.4 -0.919 23.7-171.5-104.4 142.2 23.6 19.9 20.7 46 53 A L E -CD 32 58A 27 -14,-2.5 -14,-2.4 -2,-0.4 2,-0.5 -0.983 2.3-175.8-132.5 123.2 23.3 17.5 17.8 47 54 A X E -CD 31 57A 0 10,-2.8 9,-3.3 -2,-0.4 10,-1.5 -0.966 4.1-168.3-125.3 118.3 25.8 14.7 17.3 48 55 A R E -CD 30 55A 128 -18,-1.5 -18,-1.6 -2,-0.5 7,-0.2 -0.905 24.8-120.0-106.3 125.7 25.8 12.4 14.2 49 56 A S E -C 29 0A 13 5,-3.1 -20,-0.3 -2,-0.5 2,-0.2 -0.158 21.4-116.6 -60.5 150.8 27.9 9.3 14.2 50 57 A E S S+ 0 0 107 -22,-2.4 2,-1.6 2,-0.1 3,-0.2 -0.604 92.8 8.4 -77.6 149.5 30.6 8.6 11.7 51 58 A G S S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 -22,-0.0 -0.580 134.7 42.1 83.4 -85.8 30.0 5.5 9.4 52 59 A X S S- 0 0 155 -2,-1.6 -1,-0.3 1,-0.1 -2,-0.1 0.891 93.3-148.8 -62.0 -39.8 26.4 4.6 10.4 53 60 A G + 0 0 31 1,-0.2 2,-0.2 -3,-0.2 -3,-0.1 0.680 41.4 145.3 81.7 18.5 25.4 8.4 10.4 54 61 A H - 0 0 75 -4,-0.2 -5,-3.1 1,-0.1 2,-0.7 -0.484 60.0 -91.8 -90.5 160.5 22.8 8.1 13.0 55 62 A V E +D 48 0A 65 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.605 40.4 174.7 -72.5 113.2 21.8 10.7 15.7 56 63 A L E S+ 0 0 31 -9,-3.3 2,-0.3 -2,-0.7 -1,-0.2 0.780 71.5 12.3 -84.6 -34.4 23.9 9.9 18.8 57 64 A L E +D 47 0A 11 -10,-1.5 -10,-2.8 2,-0.0 -1,-0.3 -0.986 53.6 163.5-150.1 133.8 22.7 13.0 20.7 58 65 A N E +D 46 0A 95 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.745 31.4 136.0-149.7 96.2 19.9 15.5 20.2 59 66 A T E -D 45 0A 31 -14,-1.6 -14,-2.7 -2,-0.2 2,-0.1 -0.993 50.6-106.5-147.4 147.0 19.2 17.5 23.4 60 67 A S E -D 44 0A 79 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.422 33.5-114.2 -71.7 145.8 18.5 21.1 24.4 61 68 A V - 0 0 4 -18,-2.6 2,-0.5 -2,-0.1 -18,-0.3 -0.728 35.4-140.8 -73.7 127.1 21.1 23.1 26.3 62 69 A V > - 0 0 55 -2,-0.5 3,-1.6 19,-0.2 50,-0.1 -0.828 7.5-147.1-100.2 127.7 19.6 23.7 29.7 63 70 A K T 3 S+ 0 0 115 -2,-0.5 -1,-0.1 1,-0.3 53,-0.0 0.830 98.7 55.0 -59.2 -33.6 20.1 27.1 31.4 64 71 A S T 3 S+ 0 0 112 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.481 96.0 87.7 -79.5 -4.9 20.1 25.6 34.9 65 72 A F < - 0 0 41 -3,-1.6 2,-0.5 16,-0.1 15,-0.0 -0.723 68.7-136.5-102.9 146.3 22.9 23.2 34.1 66 73 A K - 0 0 150 -2,-0.3 2,-0.7 2,-0.0 -2,-0.1 -0.874 10.4-164.4 -96.1 130.4 26.7 23.5 34.2 67 74 A Y + 0 0 12 -2,-0.5 42,-0.2 38,-0.1 13,-0.1 -0.927 36.0 144.9-113.4 99.8 28.6 22.0 31.2 68 75 A Q E -E 79 0A 80 -2,-0.7 11,-3.0 11,-0.5 34,-0.0 -0.887 51.7 -85.9-138.7 158.1 32.1 21.8 32.6 69 76 A P E -E 78 0A 31 0, 0.0 9,-0.3 0, 0.0 6,-0.2 -0.218 40.9-109.2 -64.6 160.4 35.1 19.5 32.3 70 77 A I S S- 0 0 62 7,-2.6 2,-0.3 4,-0.9 5,-0.1 0.924 87.1 -47.5 -50.6 -50.7 35.5 16.4 34.5 71 78 A D S > S- 0 0 75 3,-0.3 3,-1.2 6,-0.2 6,-0.2 -0.912 71.3 -70.4-167.9-171.2 38.3 18.2 36.4 72 79 A A T 3 S+ 0 0 86 1,-0.3 3,-0.4 -2,-0.3 -2,-0.0 0.748 128.9 52.4 -70.8 -23.1 41.5 20.2 35.7 73 80 A D T 3 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.523 111.6 48.1 -86.5 -6.7 43.4 17.1 34.4 74 81 A N X + 0 0 53 -3,-1.2 3,-1.6 1,-0.1 -4,-0.9 -0.406 58.4 147.1-134.8 57.7 40.6 16.3 32.0 75 82 A E T 3 S+ 0 0 57 -3,-0.4 -1,-0.1 1,-0.3 22,-0.1 0.670 73.6 60.3 -69.6 -17.6 39.7 19.5 30.1 76 83 A N T 3 S+ 0 0 24 -3,-0.1 19,-2.5 25,-0.1 2,-0.5 0.302 92.6 74.8 -90.5 8.9 38.9 17.5 27.0 77 84 A L E < S- F 0 94A 26 -3,-1.6 -7,-2.6 17,-0.2 2,-0.5 -0.954 70.2-161.8-128.4 109.3 36.1 15.5 28.8 78 85 A I E -EF 69 93A 1 15,-3.1 15,-2.4 -2,-0.5 2,-0.3 -0.808 16.0-132.0-103.9 124.3 33.0 17.6 29.3 79 86 A K E -EF 68 92A 57 -11,-3.0 -11,-0.5 -2,-0.5 13,-0.2 -0.580 21.7-166.1 -71.1 129.7 30.3 16.6 31.8 80 87 A W E - F 0 91A 2 11,-3.4 11,-2.3 -2,-0.3 -13,-0.1 -0.791 6.9-154.3-121.2 85.9 27.0 16.8 30.0 81 88 A P E + F 0 90A 19 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.299 22.8 168.9 -62.6 145.9 24.1 16.8 32.6 82 89 A I E - F 0 89A 16 7,-2.8 7,-3.5 2,-0.1 2,-0.9 -0.986 38.6-125.7-158.5 140.9 20.8 15.5 31.2 83 90 A I E - F 0 88A 99 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.868 26.8-177.0 -91.8 107.6 17.5 14.4 32.4 84 91 A T E > - F 0 87A 54 3,-2.0 3,-1.9 -2,-0.9 -2,-0.1 -0.980 64.9 -57.8-109.6 126.6 16.9 10.9 31.0 85 92 A D T 3 S- 0 0 161 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.493 122.3 -2.9 -52.2 127.8 13.6 10.3 32.1 86 93 A G T 3 S+ 0 0 74 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.281 122.7 62.5 105.6 -40.6 13.1 10.4 35.9 87 94 A K E < S- F 0 84A 160 -3,-1.9 -3,-2.0 -5,-0.0 2,-0.6 -0.873 75.6-117.8-135.6 145.9 16.7 11.1 36.7 88 95 A L E + F 0 83A 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.732 39.3 179.0 -79.4 116.9 19.7 13.4 36.3 89 96 A E E - F 0 82A 53 -7,-3.5 -7,-2.8 -2,-0.6 2,-0.6 -0.831 23.8-138.2-112.8 155.5 22.5 11.7 34.4 90 97 A T E - F 0 81A 46 -2,-0.3 -74,-0.4 -9,-0.2 2,-0.2 -0.966 18.9-169.8-113.4 111.4 25.9 13.0 33.4 91 98 A F E - F 0 80A 15 -11,-2.3 -11,-3.4 -2,-0.6 2,-0.4 -0.551 17.2-133.7 -82.7 163.8 27.0 12.0 29.9 92 99 A I E -BF 14 79A 11 -78,-2.6 -78,-2.8 -13,-0.2 2,-0.6 -0.989 10.8-159.4-123.4 130.7 30.6 12.7 29.0 93 100 A I E -BF 13 78A 0 -15,-2.4 -15,-3.1 -2,-0.4 2,-0.5 -0.940 13.0-160.2-105.2 120.3 31.6 14.3 25.7 94 101 A K E -BF 12 77A 80 -82,-2.8 -82,-2.2 -2,-0.6 2,-0.3 -0.907 9.6-177.2-106.5 125.2 35.2 13.7 24.8 95 102 A V - 0 0 2 -19,-2.5 -84,-0.1 -2,-0.5 6,-0.1 -0.802 34.9-115.7-111.8 161.2 37.1 15.8 22.3 96 103 A K S S+ 0 0 152 -86,-0.5 2,-0.3 -2,-0.3 -20,-0.1 0.871 90.8 45.7 -66.2 -39.0 40.6 15.2 21.2 97 104 A Q > - 0 0 116 1,-0.1 4,-1.7 -22,-0.1 5,-0.1 -0.817 69.8-133.6-118.2 148.0 42.3 18.3 22.6 98 105 A K H > S+ 0 0 116 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.902 111.6 54.9 -54.9 -43.2 42.2 20.2 25.9 99 106 A A H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 105.1 52.3 -63.4 -37.1 41.8 23.4 23.8 100 107 A D H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 108.1 52.5 -63.5 -37.1 38.7 22.0 22.0 101 108 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.902 109.6 47.2 -66.9 -42.5 37.2 21.2 25.4 102 109 A R H X S+ 0 0 125 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.886 110.9 53.1 -63.6 -40.8 37.7 24.7 26.6 103 110 A R H X S+ 0 0 134 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.944 110.2 47.7 -56.4 -51.6 36.2 26.0 23.3 104 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.946 114.0 46.1 -55.7 -51.7 33.1 23.8 23.9 105 112 A V H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 114.0 48.9 -58.3 -45.8 32.7 25.0 27.5 106 113 A G H X S+ 0 0 27 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.936 112.4 47.7 -59.7 -49.1 33.2 28.6 26.5 107 114 A A H X S+ 0 0 18 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.841 112.3 48.5 -64.3 -37.3 30.7 28.4 23.6 108 115 A V H X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.955 113.8 47.2 -66.8 -45.6 28.0 26.7 25.8 109 116 A A H X S+ 0 0 46 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.893 113.4 47.9 -61.9 -43.3 28.5 29.3 28.6 110 117 A D H X S+ 0 0 117 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.897 112.3 49.8 -62.3 -44.2 28.3 32.1 26.1 111 118 A A H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.931 109.5 51.8 -59.6 -46.6 25.2 30.6 24.5 112 119 A Q H X S+ 0 0 31 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.854 107.0 52.3 -58.6 -39.6 23.6 30.2 28.0 113 120 A Q H >< S+ 0 0 149 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.897 110.0 48.7 -64.2 -41.6 24.2 33.9 28.8 114 121 A A H 3< S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.766 101.0 65.5 -68.9 -26.9 22.5 34.9 25.6 115 122 A X H 3< 0 0 27 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.807 360.0 360.0 -63.9 -30.5 19.6 32.6 26.4 116 123 A E << 0 0 166 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.977 360.0 360.0 -68.5 360.0 18.8 34.9 29.4