==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-NOV-98 1B0Y . COMPND 2 MOLECULE: PROTEIN (HIPIP); . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR G.M.SHELDRICK . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 12.9 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 . 1 1.2 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 . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A S 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.5 -17.2 17.8 -2.0 2 2 A A - 0 0 66 1,-0.1 2,-0.1 2,-0.1 58,-0.0 -0.366 360.0-111.6 -76.9 142.5 -13.7 18.1 -3.5 3 3 A P > - 0 0 33 0, 0.0 3,-2.0 0, 0.0 67,-0.1 -0.414 22.2-120.1 -69.8 151.2 -12.8 21.0 -5.7 4 4 A A T 3 S+ 0 0 115 1,-0.3 -2,-0.1 -2,-0.1 65,-0.0 0.739 112.5 51.7 -66.7 -21.3 -12.1 20.4 -9.4 5 5 A N T 3 S+ 0 0 62 2,-0.1 65,-2.1 50,-0.0 -1,-0.3 0.114 75.6 134.0-103.1 24.5 -8.6 21.7 -9.1 6 6 A A B < S-a 70 0A 24 -3,-2.0 2,-0.2 63,-0.2 65,-0.2 -0.477 72.0 -97.7 -60.6 140.4 -7.6 19.5 -6.1 7 7 A V - 0 0 4 63,-2.9 2,-0.3 -2,-0.1 -1,-0.1 -0.448 41.7-136.3 -63.0 125.6 -4.2 18.0 -6.8 8 8 A A > - 0 0 40 -2,-0.2 3,-2.0 1,-0.1 6,-0.2 -0.657 11.8-123.5 -85.6 148.0 -4.7 14.5 -8.1 9 9 A A T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.3 10,-0.1 0.680 111.3 49.8 -64.9 -20.5 -2.6 11.7 -6.8 10 10 A D T 3 S+ 0 0 127 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.281 78.1 123.7-104.0 10.0 -1.5 10.8 -10.3 11 11 A N S <> S- 0 0 54 -3,-2.0 4,-2.7 1,-0.1 5,-0.2 -0.401 70.9-123.5 -63.7 139.1 -0.5 14.4 -11.3 12 12 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 112.0 48.4 -57.6 -39.2 3.2 14.3 -12.4 13 13 A T H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 109.9 52.3 -67.5 -42.5 4.2 16.9 -9.9 14 14 A A H >>S+ 0 0 1 -6,-0.2 5,-2.5 2,-0.2 4,-0.6 0.939 111.5 46.6 -54.8 -48.4 2.3 15.1 -7.1 15 15 A I H ><5S+ 0 0 111 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.935 111.5 50.8 -63.0 -44.3 4.2 11.9 -8.0 16 16 A A H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 116.0 42.5 -61.9 -34.9 7.6 13.7 -8.1 17 17 A L H 3<5S- 0 0 31 -4,-2.2 61,-3.1 -5,-0.2 62,-0.3 0.439 107.3-123.5 -90.4 -1.0 6.9 15.2 -4.7 18 18 A K T <<5 + 0 0 111 -3,-1.0 9,-0.4 -4,-0.6 2,-0.2 0.871 47.7 178.1 57.5 36.6 5.5 12.0 -3.1 19 19 A Y < + 0 0 15 -5,-2.5 2,-0.4 -6,-0.2 58,-0.2 -0.520 14.5 178.9 -70.2 139.4 2.3 14.0 -2.3 20 20 A N B -D 76 0B 42 56,-2.6 56,-2.0 -2,-0.2 6,-0.1 -0.981 28.1-144.6-135.6 130.1 -0.5 12.1 -0.6 21 21 A Q S S+ 0 0 88 -2,-0.4 2,-0.5 54,-0.2 53,-0.3 0.606 98.1 57.6 -70.2 -11.7 -3.7 14.0 0.3 22 22 A D S > S- 0 0 58 54,-0.1 3,-2.2 1,-0.1 4,-0.4 -0.946 74.3-162.5-117.6 102.3 -3.8 11.8 3.4 23 23 A A G > S+ 0 0 4 51,-3.1 3,-1.3 -2,-0.5 5,-0.4 0.783 86.9 66.5 -55.9 -29.4 -0.6 12.2 5.3 24 24 A T G 3 S+ 0 0 100 50,-0.3 -1,-0.3 1,-0.3 51,-0.1 0.736 104.0 45.8 -66.7 -18.6 -1.2 9.0 7.3 25 25 A K G < S+ 0 0 144 -3,-2.2 -1,-0.3 -5,-0.0 -2,-0.2 0.394 100.2 95.8 -98.0 -1.3 -0.7 7.1 4.0 26 26 A S S < S- 0 0 19 -3,-1.3 3,-0.4 -4,-0.4 -7,-0.1 -0.184 87.3-108.0 -86.2 177.7 2.4 9.1 3.0 27 27 A E S > S+ 0 0 104 -9,-0.4 4,-2.4 1,-0.2 5,-0.2 0.083 76.9 122.2 -92.9 27.7 6.1 8.4 3.4 28 28 A R H > + 0 0 14 -5,-0.4 4,-1.8 1,-0.2 5,-0.4 0.851 69.5 52.5 -64.6 -40.7 6.5 11.0 6.1 29 29 A V H 4 S+ 0 0 95 -3,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.958 114.4 42.6 -64.4 -47.0 7.8 8.7 8.8 30 30 A A H 4 S+ 0 0 85 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.874 111.3 55.1 -65.6 -35.5 10.5 7.3 6.5 31 31 A A H < S- 0 0 45 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.834 82.8-167.4 -70.0 -30.1 11.4 10.8 5.1 32 32 A A < - 0 0 65 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.862 10.0-166.6 46.6 49.7 12.0 12.1 8.7 33 33 A R > - 0 0 83 -5,-0.4 3,-0.6 1,-0.1 -1,-0.1 -0.359 25.9 -96.1 -64.2 148.7 12.0 15.7 7.6 34 34 A P T 3 S+ 0 0 104 0, 0.0 48,-0.5 0, 0.0 -1,-0.1 -0.196 90.6 35.9 -74.3 155.9 13.4 18.0 10.3 35 35 A G T 3 S+ 0 0 62 46,-0.1 -2,-0.0 47,-0.0 46,-0.0 0.159 107.2 39.0 107.0 -17.0 11.7 20.1 12.9 36 36 A L S < S- 0 0 44 -3,-0.6 5,-0.1 46,-0.0 46,-0.0 -0.969 93.1 -86.3-162.8 140.2 8.7 18.1 14.0 37 37 A P > - 0 0 74 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.304 45.5-123.6 -50.4 132.9 7.9 14.4 14.7 38 38 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 -9,-0.1 0.812 106.9 64.1 -56.0 -34.5 6.9 13.0 11.3 39 39 A E G 3 S+ 0 0 130 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.495 103.9 49.3 -71.8 -2.0 3.5 11.8 12.4 40 40 A E G < S+ 0 0 108 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 0.411 86.2 109.3-106.6 -3.5 2.5 15.4 13.1 41 41 A Q < + 0 0 0 -3,-1.7 2,-0.3 -4,-0.4 -13,-0.1 -0.621 38.4 138.6 -80.1 128.7 3.7 16.8 9.7 42 42 A Q > - 0 0 49 -2,-0.4 3,-1.7 34,-0.1 34,-0.2 -0.953 67.4 -90.8-157.8 170.2 0.9 17.8 7.3 43 43 A C G > S+ 0 0 15 32,-1.9 3,-2.1 29,-0.4 6,-0.3 0.872 117.5 69.2 -56.3 -33.9 0.2 20.6 4.8 44 44 A A G 3 S+ 0 0 46 29,-2.1 -1,-0.3 1,-0.3 30,-0.1 0.772 107.7 35.6 -55.5 -32.0 -1.5 22.6 7.6 45 45 A N G < S+ 0 0 43 -3,-1.7 38,-2.4 28,-0.2 2,-0.4 0.094 95.6 116.1-111.2 23.6 1.9 23.2 9.3 46 46 A C B X -E 82 0C 14 -3,-2.1 3,-1.3 36,-0.2 36,-0.2 -0.731 66.7-134.7 -98.4 141.3 4.0 23.5 6.2 47 47 A Q T 3 S+ 0 0 88 34,-3.1 -1,-0.1 -2,-0.4 35,-0.1 0.792 104.4 54.9 -56.5 -32.4 5.8 26.6 5.1 48 48 A F T 3 S+ 0 0 50 33,-0.3 16,-2.6 31,-0.1 -1,-0.3 0.541 78.6 112.8 -85.7 -12.1 4.5 26.3 1.5 49 49 A M E < -B 63 0A 34 -3,-1.3 2,-0.5 -6,-0.3 14,-0.3 -0.394 50.2-160.7 -66.2 140.0 0.8 26.1 2.3 50 50 A Q E > -B 62 0A 89 12,-2.5 12,-2.5 1,-0.1 3,-1.1 -0.893 10.8-177.6-124.3 98.6 -1.2 29.1 1.0 51 51 A A T 3 S+ 0 0 53 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.797 77.4 64.9 -73.5 -23.3 -4.5 29.5 2.8 52 52 A D T 3 S+ 0 0 163 9,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.231 75.3 132.7 -88.7 26.6 -5.6 32.5 0.8 53 53 A A S X S- 0 0 26 -3,-1.1 3,-2.4 1,-0.1 9,-0.0 -0.354 70.4 -88.1 -72.0 150.6 -5.8 30.6 -2.5 54 54 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.330 115.4 13.1 -58.3 126.9 -8.7 30.8 -4.8 55 55 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.437 88.0 158.7 83.5 2.1 -11.3 28.3 -3.8 56 56 A A < + 0 0 35 -3,-2.4 -1,-0.2 -5,-0.1 5,-0.2 -0.257 11.6 173.2 -62.6 144.4 -9.7 27.5 -0.4 57 57 A T - 0 0 67 3,-2.7 -1,-0.0 0, 0.0 0, 0.0 -0.672 53.4 -78.4-134.4-173.4 -12.0 25.9 2.2 58 58 A D S S+ 0 0 153 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.791 133.4 30.6 -62.7 -28.4 -11.5 24.5 5.6 59 59 A E S S+ 0 0 95 1,-0.2 14,-2.8 13,-0.1 2,-0.5 0.700 116.1 57.0 -98.4 -28.6 -10.2 21.3 4.0 60 60 A W E + C 0 72A 13 12,-0.2 -3,-2.7 -5,-0.1 2,-0.3 -0.953 61.1 164.8-120.8 124.0 -8.5 22.5 0.7 61 61 A K E - C 0 71A 38 10,-2.5 10,-3.1 -2,-0.5 -10,-0.2 -0.849 35.6 -95.9-134.5 166.3 -5.8 25.1 0.6 62 62 A G E -BC 50 70A 2 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.3 -0.332 27.0-157.4 -77.2 165.9 -3.2 26.4 -1.8 63 63 A C E > -B 49 0A 12 6,-0.5 3,-1.8 3,-0.4 6,-0.3 -0.974 20.3-135.8-141.8 132.9 0.5 25.2 -2.0 64 64 A Q T 3 S+ 0 0 107 -16,-2.6 -15,-0.1 -2,-0.3 -1,-0.1 0.794 106.5 54.4 -53.3 -31.7 3.3 27.3 -3.5 65 65 A L T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -17,-0.1 -16,-0.1 0.581 106.7 51.6 -83.3 -9.9 4.6 24.2 -5.3 66 66 A F S X S- 0 0 9 -3,-1.8 3,-2.1 3,-0.1 -3,-0.4 -0.611 81.7-161.7-124.6 66.7 1.2 23.4 -7.0 67 67 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.213 75.0 11.8 -53.8 135.3 0.2 26.7 -8.7 68 68 A G T 3 S+ 0 0 67 1,-0.3 2,-0.2 -5,-0.0 -6,-0.0 0.437 114.7 90.9 80.3 1.1 -3.5 26.9 -9.6 69 69 A K < - 0 0 77 -3,-2.1 -6,-0.5 -6,-0.3 2,-0.4 -0.713 67.0-128.4-122.8 173.0 -4.4 23.8 -7.6 70 70 A L E -aC 6 62A 1 -65,-2.1 -63,-2.9 -2,-0.2 -8,-0.2 -0.971 14.6-157.7-124.8 135.5 -5.5 23.0 -4.0 71 71 A I E - C 0 61A 3 -10,-3.1 -10,-2.5 -2,-0.4 2,-0.4 -0.621 30.6-100.1 -98.3 171.1 -4.0 20.5 -1.6 72 72 A N E > - C 0 60A 9 -12,-0.2 3,-2.5 -2,-0.2 -29,-0.4 -0.752 21.8-133.0 -90.2 128.9 -5.7 18.8 1.4 73 73 A V T 3 S+ 0 0 24 -14,-2.8 -29,-2.1 -2,-0.4 -28,-0.2 0.745 110.1 51.0 -56.3 -25.9 -4.8 20.4 4.7 74 74 A N T 3 S+ 0 0 85 -15,-0.3 -51,-3.1 -53,-0.3 -1,-0.3 0.186 94.9 99.8 -95.3 12.4 -4.3 16.8 6.0 75 75 A G < - 0 0 0 -3,-2.5 -32,-1.9 -53,-0.3 2,-0.3 -0.121 52.3-160.8 -88.3-173.0 -1.9 15.9 3.1 76 76 A W B -D 20 0B 1 -56,-2.0 -56,-2.6 -34,-0.2 2,-0.3 -0.964 7.7-174.5-164.0 148.8 1.9 15.7 3.0 77 77 A C > - 0 0 14 -2,-0.3 3,-2.4 -58,-0.2 -59,-0.2 -0.955 43.7-100.0-144.0 169.3 4.7 15.7 0.4 78 78 A A T 3 S+ 0 0 29 -61,-3.1 -60,-0.1 -2,-0.3 -59,-0.0 0.530 117.8 63.5 -72.3 -3.2 8.4 15.3 0.6 79 79 A S T 3 S+ 0 0 33 -62,-0.3 -1,-0.3 2,-0.1 -31,-0.1 0.371 72.1 141.8 -93.9 3.5 9.0 19.0 0.4 80 80 A W < - 0 0 4 -3,-2.4 2,-0.4 -34,-0.1 -34,-0.1 -0.122 26.9-178.8 -45.8 132.6 7.2 19.5 3.7 81 81 A T - 0 0 46 -38,-0.1 -34,-3.1 -48,-0.1 -33,-0.3 -0.997 33.7-102.3-139.4 131.2 8.9 22.2 5.7 82 82 A L B -E 46 0C 72 -48,-0.5 2,-0.2 -2,-0.4 -36,-0.2 -0.332 39.3-116.9 -59.0 128.9 8.0 23.5 9.1 83 83 A K - 0 0 112 -38,-2.4 2,-0.3 1,-0.1 -1,-0.1 -0.438 29.7-152.3 -65.8 126.2 6.1 26.7 9.0 84 84 A A 0 0 50 -2,-0.2 -1,-0.1 -3,-0.1 -38,-0.0 -0.644 360.0 360.0 -89.2 145.7 8.0 29.4 10.8 85 85 A G 0 0 148 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.820 360.0 360.0 -77.8 360.0 6.4 32.3 12.3