==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 12-OCT-10 2XTS . COMPND 2 MOLECULE: SULFITE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR U.ZANDER,A.FAUST,B.U.KLINK,D.DE SANCTIS,S.PANJIKAR,A.QUENTME . 1185 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 83 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 11 2 0 4 4 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 18 10 10 6 4 4 0 2 2 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 2 2 0 4 0 2 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 42 A G 0 0 96 0, 0.0 992,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.9 36.5 81.0 47.7 2 43 A T - 0 0 125 1,-0.1 991,-0.1 2,-0.0 2,-0.0 0.983 360.0-127.0 75.3 89.2 37.4 84.1 45.6 3 44 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 989,-0.0 -0.302 22.2-115.0 -66.6 145.3 36.5 83.9 41.9 4 45 A D >> - 0 0 33 1,-0.1 4,-2.5 2,-0.0 3,-2.4 -0.675 15.3-149.4 -82.8 118.7 39.2 84.6 39.3 5 46 A P H 3> S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.708 93.9 72.6 -62.5 -20.2 38.4 87.7 37.3 6 47 A L H 34 S+ 0 0 32 1,-0.2 5,-0.2 2,-0.2 675,-0.1 0.661 115.0 26.3 -65.2 -14.1 40.2 86.3 34.3 7 48 A I H <4 S+ 0 0 2 -3,-2.4 -1,-0.2 3,-0.1 4,-0.1 0.706 124.0 47.2-108.5 -47.1 37.1 84.1 34.1 8 49 A T H < S+ 0 0 51 -4,-2.5 2,-0.4 2,-0.1 -2,-0.2 0.746 106.9 61.4 -77.7 -20.6 34.3 86.1 35.8 9 50 A E S < S- 0 0 118 -4,-2.0 2,-0.3 -5,-0.2 990,-0.0 -0.887 93.5-114.2-103.0 136.8 35.1 89.3 33.9 10 51 A I - 0 0 94 -2,-0.4 -3,-0.1 1076,-0.1 -2,-0.1 -0.523 33.5-143.1 -67.8 125.2 34.7 89.3 30.1 11 52 A Q > - 0 0 38 -2,-0.3 3,-2.1 -5,-0.2 5,-0.2 -0.601 20.9-111.0 -92.0 157.0 38.2 89.9 28.6 12 53 A P G >> S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 3,-1.7 0.848 115.9 59.5 -57.6 -36.0 38.7 92.0 25.5 13 54 A W G 34 S+ 0 0 42 1,-0.3 756,-0.8 2,-0.2 5,-0.1 0.607 102.1 55.4 -68.9 -12.0 39.7 89.0 23.4 14 55 A A G <4 S+ 0 0 3 -3,-2.1 -1,-0.3 754,-0.2 754,-0.1 0.244 122.8 23.9-100.7 11.0 36.3 87.4 24.1 15 56 A S T <4 S+ 0 0 19 -3,-1.7 1070,-2.2 1,-0.2 1068,-0.4 0.556 114.2 53.9-137.1 -52.5 34.4 90.4 22.8 16 57 A E S < S- 0 0 109 -4,-2.7 753,-0.4 1068,-0.2 -1,-0.2 -0.333 90.2 -84.0 -86.0 174.2 36.4 92.5 20.3 17 58 A F - 0 0 89 1066,-0.3 654,-0.2 -2,-0.1 -1,-0.1 -0.479 30.3-147.6 -80.2 147.2 38.1 91.3 17.1 18 59 A G - 0 0 19 652,-2.7 655,-0.3 1,-0.2 2,-0.1 -0.166 52.4 -51.2 -84.1-166.3 41.5 89.7 16.9 19 60 A E B -A 672 0A 68 653,-2.5 653,-2.3 652,-0.1 -1,-0.2 -0.363 61.4-109.8 -72.7 150.4 43.8 90.3 13.8 20 61 A A > - 0 0 19 651,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.271 24.3-110.1 -75.0 163.5 42.5 89.7 10.3 21 62 A V T 3 S+ 0 0 2 621,-2.6 3,-0.1 1,-0.3 645,-0.1 0.542 116.5 55.6 -72.3 -10.1 43.5 86.9 8.0 22 63 A D T 3 S+ 0 0 82 620,-0.2 -1,-0.3 1,-0.1 612,-0.1 0.334 81.6 92.6 -99.8 8.7 45.3 89.3 5.7 23 64 A A S < S+ 0 0 40 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.841 93.2 24.0 -75.4 -34.8 47.6 90.7 8.4 24 65 A H - 0 0 79 -4,-0.3 3,-0.3 -3,-0.1 -1,-0.2 -0.821 54.0-177.2-140.4 94.0 50.6 88.5 8.1 25 66 A P S S+ 0 0 59 0, 0.0 607,-3.0 0, 0.0 2,-0.4 0.826 92.2 20.4 -61.6 -32.2 51.4 86.7 4.8 26 67 A Y S S- 0 0 46 605,-0.2 637,-0.2 637,-0.0 636,-0.1 -0.911 94.2-153.4-137.6 106.3 54.4 84.9 6.3 27 68 A G - 0 0 6 635,-2.6 635,-0.1 -2,-0.4 3,-0.1 -0.309 11.9-154.0 -88.4 164.5 54.1 84.9 10.1 28 69 A L - 0 0 81 1,-0.1 770,-0.3 -2,-0.1 3,-0.1 -0.792 41.3 -72.4-121.0 164.8 56.5 84.7 13.1 29 70 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 768,-0.1 -0.181 59.6 -90.2 -53.1 152.6 56.0 83.4 16.6 30 71 A I > - 0 0 12 766,-0.3 3,-2.1 1,-0.1 765,-0.1 -0.307 40.9-111.1 -61.6 153.1 53.9 85.4 19.1 31 72 A H G > S+ 0 0 95 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.782 113.5 69.0 -66.5 -24.7 56.0 87.9 21.0 32 73 A F G 3 S+ 0 0 21 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.632 94.9 59.0 -64.0 -15.7 55.7 86.0 24.3 33 74 A E G X + 0 0 16 -3,-2.1 3,-2.2 1,-0.2 -1,-0.3 0.103 66.3 122.1 -99.4 23.4 57.8 83.2 22.8 34 75 A S T < + 0 0 83 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.726 64.1 65.8 -64.0 -23.7 60.8 85.5 22.1 35 76 A H T 3 S+ 0 0 15 -3,-0.3 2,-1.4 1,-0.1 -1,-0.3 0.561 80.2 85.7 -71.3 -13.6 63.1 83.4 24.2 36 77 A V S < S+ 0 0 6 -3,-2.2 2,-0.3 23,-0.1 -1,-0.1 -0.716 73.3 103.2 -90.3 82.5 62.8 80.6 21.7 37 78 A K S S- 0 0 74 -2,-1.4 2,-0.2 17,-0.1 583,-0.2 -0.930 79.3 -75.1-152.9 168.2 65.5 81.8 19.4 38 79 A R - 0 0 7 581,-3.0 2,-0.3 -2,-0.3 17,-0.2 -0.544 45.0-153.0 -71.8 140.9 69.1 81.1 18.4 39 80 A Q B -B 54 0B 24 15,-1.2 15,-1.9 -2,-0.2 2,-0.4 -0.907 0.9-149.0-115.9 153.5 71.7 82.2 20.9 40 81 A Y - 0 0 49 -2,-0.3 2,-0.6 13,-0.2 13,-0.1 -0.945 4.4-159.3-124.6 130.7 75.3 83.2 20.2 41 82 A V > - 0 0 2 11,-0.5 3,-1.5 -2,-0.4 4,-0.3 -0.923 10.5-164.5-110.5 101.8 78.3 82.8 22.6 42 83 A E G > S+ 0 0 144 -2,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.858 78.5 61.9 -61.6 -37.8 80.9 85.2 21.4 43 84 A W G 3 S+ 0 0 126 1,-0.3 -1,-0.3 529,-0.2 529,-0.0 0.673 86.1 76.8 -66.5 -12.6 83.9 83.8 23.3 44 85 A L G < S+ 0 0 46 -3,-1.5 2,-0.3 8,-0.1 -1,-0.3 0.774 104.5 19.8 -70.9 -25.9 83.8 80.5 21.4 45 86 A T < - 0 0 41 -3,-1.4 6,-0.1 -4,-0.3 403,-0.0 -0.896 68.0-126.5-138.5 165.9 85.3 81.9 18.2 46 87 A E S S+ 0 0 63 -2,-0.3 402,-0.1 4,-0.2 5,-0.1 0.681 94.9 34.4 -87.7 -17.9 87.3 84.8 16.9 47 88 A S B > -C 50 0C 13 3,-0.6 3,-0.8 1,-0.1 -1,-0.2 -1.000 67.5-140.0-138.4 139.3 85.0 85.9 14.1 48 89 A P T 3 S+ 0 0 48 0, 0.0 567,-2.5 0, 0.0 3,-0.3 0.585 104.0 59.4 -79.1 -6.1 81.2 85.9 14.0 49 90 A V T 3 S+ 0 0 13 565,-0.2 28,-2.0 1,-0.2 2,-0.5 0.619 107.8 44.9 -90.9 -17.6 81.3 84.8 10.3 50 91 A S B < S+C 47 0C 31 -3,-0.8 -3,-0.6 26,-0.2 2,-0.2 -0.789 106.0 87.7-117.4 85.9 83.3 81.6 11.2 51 92 A S E -D 74 0D 0 23,-1.1 23,-1.7 -2,-0.5 2,-0.3 -0.823 65.4-108.6-164.5-172.2 81.2 80.6 14.1 52 93 A I E -D 73 0D 11 -2,-0.2 -11,-0.5 21,-0.2 2,-0.3 -0.960 13.2-165.3-139.9 146.2 78.2 78.8 15.6 53 94 A N - 0 0 1 19,-1.9 2,-0.4 -2,-0.3 -13,-0.2 -0.806 25.8-115.1-129.6 178.8 74.9 79.6 17.2 54 95 A F B -B 39 0B 0 -15,-1.9 -15,-1.2 -2,-0.3 87,-0.2 -0.948 10.5-127.2-128.9 131.1 72.6 77.3 19.1 55 96 A T - 0 0 0 85,-2.8 2,-2.4 -2,-0.4 3,-0.2 -0.496 32.0-118.4 -68.7 138.4 69.1 75.9 18.7 56 97 A P >> + 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.302 52.3 156.4 -77.2 61.6 66.7 76.5 21.6 57 98 A I T 34 + 0 0 4 -2,-2.4 211,-0.0 1,-0.3 -21,-0.0 0.638 61.7 70.0 -65.8 -16.8 66.3 72.8 22.4 58 99 A H T 34 S+ 0 0 6 -3,-0.2 -1,-0.3 1,-0.2 -22,-0.1 0.815 107.7 36.4 -61.7 -32.4 65.4 73.5 26.0 59 100 A A T <4 S+ 0 0 13 -3,-1.8 -2,-0.2 -24,-0.1 -1,-0.2 0.579 100.7 90.2-102.0 -13.9 62.1 75.1 24.8 60 101 A L < - 0 0 12 -4,-0.8 2,-0.2 734,-0.1 734,-0.2 -0.374 52.5-165.1 -82.4 162.2 61.1 72.8 21.9 61 102 A E + 0 0 5 732,-2.3 3,-0.1 3,-0.2 -2,-0.1 -0.781 52.9 23.4-132.2 177.5 59.1 69.6 21.9 62 103 A G S S- 0 0 2 -2,-0.2 264,-0.1 1,-0.2 253,-0.1 -0.337 96.0 -79.2 66.1-145.7 58.6 66.8 19.5 63 104 A T S S+ 0 0 24 262,-0.1 2,-0.4 225,-0.1 260,-0.2 0.566 94.1 94.7-131.0 -24.4 61.2 66.3 16.9 64 105 A I - 0 0 11 -3,-0.1 -3,-0.2 79,-0.1 81,-0.2 -0.636 64.3-142.5 -80.0 125.9 60.9 68.8 14.0 65 106 A T - 0 0 5 79,-2.7 2,-0.2 -2,-0.4 728,-0.1 -0.774 20.1-118.5 -86.7 128.2 63.1 71.8 14.5 66 107 A P >> - 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.478 22.7-137.5 -62.4 127.2 61.5 75.1 13.4 67 108 A Q G >4 S+ 0 0 9 1,-0.3 3,-0.7 -2,-0.2 554,-0.1 0.794 97.4 65.1 -65.2 -27.1 63.8 76.3 10.7 68 109 A G G 34 S+ 0 0 2 1,-0.2 553,-2.7 552,-0.1 -1,-0.3 0.721 114.3 31.2 -66.8 -22.7 63.8 79.9 11.8 69 110 A C G <4 S+ 0 0 0 -3,-1.7 2,-0.3 551,-0.2 -1,-0.2 0.262 88.8 122.9-116.7 14.5 65.5 78.9 15.1 70 111 A A S << S- 0 0 0 -3,-0.7 73,-0.1 -4,-0.5 551,-0.1 -0.564 71.9 -97.3 -74.6 132.8 67.6 76.0 13.8 71 112 A F - 0 0 10 71,-0.5 2,-0.4 69,-0.3 -17,-0.1 0.011 33.2-145.5 -56.3 158.6 71.3 76.5 14.5 72 113 A E - 0 0 5 543,-0.1 -19,-1.9 -3,-0.1 2,-0.4 -0.956 14.0-176.6-121.6 140.3 73.8 77.9 12.0 73 114 A R E +D 52 0D 65 -2,-0.4 2,-0.3 132,-0.3 -21,-0.2 -0.952 16.9 166.1-135.5 118.8 77.4 77.0 11.5 74 115 A H E -D 51 0D 2 -23,-1.7 -23,-1.1 -2,-0.4 4,-0.1 -0.894 30.6-164.3-124.6 159.8 79.4 79.0 8.8 75 116 A H S S+ 0 0 14 -2,-0.3 -26,-0.1 2,-0.3 -1,-0.1 0.574 99.9 15.1-116.0 -19.0 83.0 79.5 8.0 76 117 A S S S- 0 0 4 1,-0.4 536,-2.8 537,-0.1 99,-0.2 -0.007 120.8 -92.2-140.3 31.4 82.7 82.6 5.8 77 118 A G - 0 0 0 -28,-2.0 2,-0.7 534,-0.2 -1,-0.4 -0.042 55.8 -53.9 83.4 172.3 79.1 83.7 6.7 78 119 A A B -E 613 0E 2 535,-2.3 535,-2.5 -4,-0.1 2,-0.2 -0.780 62.4-151.5 -87.7 114.5 75.7 82.9 5.2 79 120 A I - 0 0 3 -2,-0.7 2,-0.7 533,-0.3 128,-0.2 -0.527 12.4-125.2 -93.2 155.0 75.8 83.8 1.5 80 121 A E + 0 0 87 -2,-0.2 2,-0.5 125,-0.0 527,-0.1 -0.877 34.5 169.7 -97.5 113.8 73.1 84.9 -0.8 81 122 A L - 0 0 5 -2,-0.7 144,-0.1 127,-0.3 2,-0.0 -0.940 20.6-148.3-132.0 104.6 72.9 82.6 -3.8 82 123 A S > - 0 0 4 -2,-0.5 4,-1.6 1,-0.1 3,-0.1 -0.354 24.6-119.1 -69.2 157.7 69.9 83.0 -6.2 83 124 A K T 4 S+ 0 0 26 1,-0.2 19,-0.7 2,-0.2 20,-0.2 0.789 116.4 57.4 -65.0 -27.4 68.5 80.0 -8.1 84 125 A Q T 4 S+ 0 0 32 1,-0.2 -1,-0.2 18,-0.1 18,-0.1 0.882 111.9 39.2 -68.9 -40.2 69.3 82.0 -11.2 85 126 A D T 4 S+ 0 0 57 -3,-0.1 -2,-0.2 16,-0.1 -1,-0.2 0.677 92.6 111.1 -83.1 -19.7 73.0 82.2 -10.3 86 127 A Y < + 0 0 2 -4,-1.6 16,-0.5 -5,-0.0 2,-0.3 -0.278 40.7 176.0 -60.4 136.3 73.3 78.7 -8.9 87 128 A R - 0 0 34 14,-0.1 2,-0.5 513,-0.1 14,-0.2 -0.993 15.5-159.3-139.3 140.3 75.4 76.2 -10.7 88 129 A L E -F 100 0F 0 12,-2.3 12,-2.8 -2,-0.3 2,-0.4 -0.985 12.3-164.7-118.8 126.4 76.3 72.6 -9.8 89 130 A M E -Fg 99 228F 0 138,-2.5 140,-2.5 -2,-0.5 2,-0.4 -0.858 9.9-167.1-111.0 138.3 79.3 71.0 -11.5 90 131 A I E +Fg 98 229F 0 8,-2.5 8,-2.1 -2,-0.4 2,-0.3 -0.998 30.6 144.2-120.5 123.0 80.2 67.3 -11.5 91 132 A N E + g 0 230F 4 138,-2.0 140,-2.5 -2,-0.4 2,-0.4 -0.843 21.9 58.8-147.6 177.7 83.8 66.6 -12.7 92 133 A G E S+ g 0 231F 39 -2,-0.3 2,-2.6 138,-0.2 140,-0.2 -0.793 104.1 17.6 102.1-132.4 86.8 64.3 -12.3 93 134 A L S S+ 0 0 47 138,-2.6 69,-2.6 -2,-0.4 2,-0.3 -0.394 99.0 115.1 -80.1 64.2 86.7 60.6 -12.8 94 135 A V B S-K 161 0G 7 -2,-2.6 67,-0.2 67,-0.3 66,-0.2 -0.927 73.7-123.9-129.0 155.6 83.4 60.7 -14.7 95 136 A E S S+ 0 0 125 65,-2.7 65,-0.2 64,-0.5 66,-0.1 0.875 102.6 13.5 -68.9 -36.2 82.6 59.9 -18.4 96 137 A K S S- 0 0 96 63,-2.1 -1,-0.3 64,-0.1 2,-0.2 -0.934 77.3-138.0-141.9 115.3 81.2 63.3 -19.0 97 138 A P - 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