==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-FEB-08 2K0R . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBD; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR M.QUINTERNET,L.SELME,P.TSAN,C.BEAUFILS,C.JACOB,S.BOSCHI- . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 53.9 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 . 49 38.3 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 . 0 4 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 M 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.2 2.1 -0.0 -1.2 2 2 A A + 0 0 93 3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.864 360.0 3.7 -98.3 -54.6 -0.5 2.0 -3.2 3 3 A L + 0 0 87 2,-0.1 3,-0.1 3,-0.0 6,-0.0 0.884 62.6 173.4 -96.2 -69.8 -2.0 4.3 -0.6 4 4 A D + 0 0 55 1,-0.2 30,-0.5 29,-0.1 2,-0.3 0.762 65.9 59.5 63.3 24.7 -0.2 3.9 2.7 5 5 A A S > S+ 0 0 19 28,-0.2 3,-0.5 29,-0.1 4,-0.4 -0.940 73.1 44.3-163.0-178.8 -2.2 6.9 4.0 6 6 A N G > S- 0 0 85 -2,-0.3 3,-0.6 1,-0.2 29,-0.5 0.137 94.9 -73.4 58.5 177.2 -5.7 8.2 4.7 7 7 A D G 3 S+ 0 0 77 1,-0.2 -1,-0.2 27,-0.1 7,-0.0 0.181 105.4 103.9 -91.3 16.7 -8.4 6.2 6.4 8 8 A L G < S+ 0 0 127 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.1 0.743 77.1 58.1 -68.9 -22.9 -8.8 4.2 3.2 9 9 A L S < S- 0 0 12 -3,-0.6 24,-0.0 -4,-0.4 26,-0.0 -0.713 94.7 -97.7-108.1 159.6 -6.9 1.3 4.9 10 10 A P > - 0 0 71 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.186 34.0-107.9 -69.8 164.2 -7.6 -0.6 8.1 11 11 A P T 4 S+ 0 0 42 0, 0.0 4,-0.3 0, 0.0 22,-0.1 0.561 115.0 66.4 -69.7 -7.7 -5.9 0.1 11.5 12 12 A E T 4 S+ 0 0 129 2,-0.1 3,-0.3 1,-0.1 -3,-0.0 0.916 114.3 24.1 -79.5 -47.3 -3.9 -3.1 11.0 13 13 A K T 4 S+ 0 0 91 -3,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.601 105.9 81.7 -92.6 -14.6 -1.9 -1.9 8.0 14 14 A A S < S+ 0 0 1 -4,-1.7 19,-1.7 1,-0.1 2,-0.4 0.710 94.2 53.6 -62.6 -19.5 -2.3 1.8 8.9 15 15 A F E -A 32 0A 17 -3,-0.3 17,-0.2 -4,-0.3 -1,-0.1 -0.970 66.2-163.5-122.7 132.4 0.6 1.2 11.3 16 16 A V E -A 31 0A 47 15,-2.5 15,-1.9 -2,-0.4 2,-0.1 -0.749 15.8-165.9-116.1 83.7 4.0 -0.2 10.5 17 17 A P E -A 30 0A 21 0, 0.0 2,-0.4 0, 0.0 13,-0.3 -0.416 7.0-175.9 -69.7 140.3 5.7 -1.2 13.8 18 18 A E E -A 29 0A 73 11,-1.6 11,-2.5 -2,-0.1 2,-0.3 -0.988 11.5-152.9-143.4 130.5 9.4 -1.9 13.8 19 19 A L E -AB 28 124A 2 105,-1.5 105,-0.6 -2,-0.4 2,-0.3 -0.769 10.0-176.9-103.3 147.9 11.7 -3.2 16.5 20 20 A A E -AB 27 123A 46 7,-1.8 7,-3.4 -2,-0.3 2,-0.3 -0.832 11.4-154.8-148.2 104.9 15.5 -2.5 16.8 21 21 A V E -A 26 0A 38 101,-2.1 5,-0.2 -2,-0.3 2,-0.2 -0.598 18.7-177.6 -81.5 137.5 17.6 -4.0 19.5 22 22 A A - 0 0 55 3,-2.2 3,-0.1 -2,-0.3 100,-0.1 -0.632 39.3-112.0-123.9-177.5 20.8 -2.1 20.5 23 23 A D S S+ 0 0 154 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.655 118.8 38.4 -90.3 -19.1 23.8 -2.6 22.8 24 24 A D S S- 0 0 139 1,-0.3 61,-1.0 60,-0.0 2,-0.3 0.154 133.6 -49.1-115.0 15.3 22.8 0.4 25.0 25 25 A G E - C 0 84A 6 59,-0.3 -3,-2.2 -3,-0.1 2,-0.4 -0.920 67.0 -68.4 146.8-172.0 19.0 -0.2 24.8 26 26 A V E -AC 21 83A 3 57,-2.1 57,-3.0 -2,-0.3 2,-0.4 -0.958 32.5-158.8-122.6 138.1 16.1 -1.0 22.5 27 27 A N E -AC 20 82A 58 -7,-3.4 -7,-1.8 -2,-0.4 2,-0.4 -0.953 7.0-172.9-118.7 132.3 14.5 1.3 19.9 28 28 A V E -AC 19 81A 1 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.985 2.9-178.9-127.7 127.6 11.0 0.9 18.5 29 29 A R E -AC 18 80A 93 -11,-2.5 -11,-1.6 -2,-0.4 2,-0.5 -0.987 5.2-170.1-128.5 133.0 9.5 2.9 15.6 30 30 A F E -A 17 0A 4 49,-2.9 2,-0.6 -2,-0.4 49,-0.3 -0.974 15.7-143.0-126.3 120.4 6.0 2.7 14.2 31 31 A R E -A 16 0A 88 -15,-1.9 -15,-2.5 -2,-0.5 2,-0.3 -0.711 19.6-158.4 -84.3 116.8 5.0 4.4 10.9 32 32 A I E -A 15 0A 2 45,-3.0 -17,-0.2 -2,-0.6 -18,-0.1 -0.717 23.5-102.9 -96.8 146.0 1.4 5.7 11.2 33 33 A A > - 0 0 0 -19,-1.7 3,-2.5 -2,-0.3 -28,-0.2 -0.288 27.2-118.0 -64.0 148.4 -0.8 6.4 8.1 34 34 A D T 3 S+ 0 0 97 -30,-0.5 -1,-0.1 1,-0.3 -29,-0.1 0.706 117.4 57.4 -59.8 -18.8 -1.3 10.1 7.2 35 35 A G T 3 S+ 0 0 7 -29,-0.5 69,-1.3 -21,-0.1 70,-0.7 0.267 105.9 59.1 -95.9 11.3 -4.9 9.5 7.9 36 36 A Y E < -E 103 0B 16 -3,-2.5 2,-0.3 40,-0.3 67,-0.2 -0.943 58.0-171.7-137.8 158.6 -4.3 8.3 11.5 37 37 A Y E -E 102 0B 19 65,-2.2 65,-2.5 -2,-0.3 2,-0.4 -0.970 8.4-154.2-154.3 135.3 -2.7 9.8 14.6 38 38 A M E -EF 101 75B 3 37,-1.1 37,-2.3 -2,-0.3 2,-0.4 -0.902 24.4-118.2-113.9 140.2 -1.8 8.3 18.0 39 39 A Y E >> - F 0 74B 8 61,-1.3 4,-3.0 -2,-0.4 3,-0.6 -0.620 13.9-140.6 -78.3 124.6 -1.5 10.3 21.3 40 40 A Q T 34 S+ 0 0 19 33,-2.5 34,-0.2 -2,-0.4 -1,-0.2 0.851 106.9 49.9 -50.3 -37.6 2.0 10.2 22.8 41 41 A A T 34 S+ 0 0 61 32,-0.6 -1,-0.3 1,-0.2 33,-0.1 0.838 112.3 46.7 -71.3 -33.9 0.3 9.8 26.2 42 42 A K T <4 S+ 0 0 93 -3,-0.6 -2,-0.2 58,-0.2 -1,-0.2 0.843 96.4 89.0 -76.3 -34.9 -1.9 7.0 25.0 43 43 A I < - 0 0 7 -4,-3.0 2,-0.3 57,-0.1 56,-0.2 -0.350 61.2-168.4 -65.5 142.8 1.0 5.2 23.3 44 44 A V E +I 98 0C 70 54,-2.8 54,-2.4 -2,-0.0 2,-0.2 -0.978 16.4 161.3-135.9 148.4 2.9 2.7 25.4 45 45 A G E +I 97 0C 8 -2,-0.3 2,-0.4 52,-0.3 52,-0.2 -0.680 4.4 159.2-170.5 110.9 6.2 0.8 25.0 46 46 A K E -I 96 0C 70 50,-2.1 50,-3.2 -2,-0.2 2,-0.4 -0.999 11.8-172.6-139.5 135.6 8.4 -0.9 27.6 47 47 A T E +I 95 0C 0 -2,-0.4 48,-0.3 48,-0.3 -21,-0.1 -0.987 28.9 114.8-132.2 125.3 11.0 -3.6 27.3 48 48 A N E -I 94 0C 8 46,-2.9 46,-1.9 -2,-0.4 3,-0.1 -0.946 63.0-112.9-177.9 158.9 12.8 -5.4 30.1 49 49 A P S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 46,-0.0 0.879 108.6 -14.8 -69.8 -39.7 13.4 -8.7 31.8 50 50 A A S S- 0 0 72 -3,-0.1 43,-0.0 44,-0.0 -3,-0.0 -0.193 118.6 -58.5-163.7 57.7 11.7 -7.6 35.1 51 51 A D S S+ 0 0 141 -3,-0.1 -3,-0.1 1,-0.0 -4,-0.0 0.868 96.7 128.4 65.9 37.3 11.2 -3.9 35.2 52 52 A L + 0 0 60 35,-0.1 -4,-0.1 0, 0.0 -1,-0.0 0.841 39.5 95.3 -89.6 -39.8 15.0 -3.3 34.9 53 53 A L S S- 0 0 14 32,-0.1 32,-0.2 33,-0.1 -5,-0.1 -0.135 73.6-131.6 -52.0 146.9 14.9 -0.9 32.0 54 54 A G - 0 0 45 30,-1.6 31,-0.1 1,-0.2 32,-0.1 0.906 55.7 -45.5 -66.4-100.8 15.1 2.8 33.0 55 55 A Q - 0 0 133 29,-0.2 -1,-0.2 30,-0.1 -9,-0.0 -0.959 56.6 -95.7-139.7 156.6 12.4 4.9 31.3 56 56 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.316 25.2-153.9 -69.7 152.4 11.0 5.4 27.8 57 57 A S E -D 82 0A 55 25,-1.7 25,-2.0 -2,-0.0 26,-0.0 -0.730 11.9-151.9-132.3 84.1 12.3 8.2 25.5 58 58 A F E -D 81 0A 87 -2,-0.3 23,-0.2 23,-0.2 21,-0.0 -0.106 18.1-129.7 -52.1 150.9 9.7 9.3 23.0 59 59 A S - 0 0 57 21,-2.2 -1,-0.1 1,-0.1 22,-0.1 0.380 49.3-119.2 -85.1 4.1 11.1 10.7 19.7 60 60 A K - 0 0 120 20,-0.2 20,-0.2 13,-0.0 -1,-0.1 0.517 37.9-176.7 66.5 141.1 8.8 13.7 20.2 61 61 A G - 0 0 24 18,-0.1 2,-0.4 14,-0.1 14,-0.2 0.096 40.2 -42.6-132.3-114.5 6.1 14.6 17.6 62 62 A E E -G 74 0B 105 12,-2.5 12,-2.2 10,-0.0 2,-0.3 -0.990 44.1-133.3-137.2 127.6 3.6 17.5 17.4 63 63 A E E +G 73 0B 141 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.613 34.3 166.1 -80.6 132.9 1.6 19.1 20.2 64 64 A K E -G 72 0B 54 8,-2.4 8,-2.3 -2,-0.3 2,-0.5 -0.984 29.5-132.4-145.8 154.6 -2.1 19.7 19.4 65 65 A E E +G 71 0B 134 -2,-0.3 6,-0.3 6,-0.3 2,-0.2 -0.930 38.3 141.3-113.7 130.6 -5.3 20.5 21.3 66 66 A D - 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