==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAR-07 2UXV . COMPND 2 MOLECULE: PROTEIN SUFI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.TARRY,P.ROVERSI,F.SARGENT,B.C.BERKS,S.M.LEA . 844 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 . 3 0.4 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 . 116 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 2 1 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 RESIDUES PER ALPHA HELIX . 6 0 3 5 2 4 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 . 14 8 9 8 1 5 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 4 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 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 30 A Q 0 0 228 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.2 -39.1 -23.7 -7.8 2 31 A Q - 0 0 56 1,-0.1 188,-0.1 189,-0.0 0, 0.0 -0.333 360.0-121.7 -76.4 158.8 -36.4 -21.1 -8.4 3 32 A Q - 0 0 84 186,-0.5 189,-2.1 1,-0.1 -1,-0.1 -0.619 28.6 -96.3 -99.2 159.1 -34.8 -19.0 -5.6 4 33 A P B -a 192 0A 73 0, 0.0 189,-0.2 0, 0.0 -1,-0.1 -0.361 44.5 -99.3 -71.9 152.3 -34.6 -15.3 -5.2 5 34 A L - 0 0 15 187,-1.9 2,-0.3 -2,-0.1 189,-0.1 -0.580 36.3-129.0 -74.3 127.4 -31.6 -13.4 -6.4 6 35 A P - 0 0 31 0, 0.0 182,-0.1 0, 0.0 -1,-0.1 -0.612 16.7-152.2 -78.5 131.9 -29.2 -12.6 -3.5 7 36 A V - 0 0 45 -2,-0.3 3,-0.1 146,-0.1 148,-0.1 -0.904 16.1-129.5-110.6 107.8 -28.2 -8.9 -3.4 8 37 A P - 0 0 5 0, 0.0 41,-0.1 0, 0.0 38,-0.0 -0.235 37.8 -96.3 -52.5 136.2 -24.9 -8.3 -1.8 9 38 A P - 0 0 69 0, 0.0 40,-1.5 0, 0.0 2,-0.5 -0.197 40.1-111.9 -55.0 145.7 -25.1 -5.7 1.0 10 39 A L E -e 49 0B 45 38,-0.2 2,-0.5 -3,-0.1 40,-0.2 -0.713 31.9-176.9 -86.0 127.3 -24.1 -2.2 -0.2 11 40 A L E +e 50 0B 48 38,-3.3 40,-1.4 -2,-0.5 2,-0.1 -0.752 11.9 178.5-123.4 81.5 -20.9 -0.8 1.4 12 41 A E E -e 51 0B 19 -2,-0.5 4,-0.5 38,-0.3 40,-0.2 -0.321 28.8-131.5 -80.6 168.1 -20.5 2.8 0.2 13 42 A S S > S+ 0 0 0 38,-2.9 2,-2.7 1,-0.2 3,-1.3 0.965 90.3 66.0 -76.0 -76.7 -17.6 5.0 1.2 14 43 A R T 3 S+ 0 0 141 1,-0.2 -1,-0.2 37,-0.2 3,-0.1 -0.281 103.9 38.8 -59.1 68.0 -19.2 8.2 2.1 15 44 A R T 3 S+ 0 0 175 -2,-2.7 -1,-0.2 -3,-0.2 -2,-0.1 0.018 123.2 23.7-176.4 -34.4 -21.1 7.1 5.2 16 45 A G S < S- 0 0 63 -3,-1.3 3,-0.1 -4,-0.5 -3,-0.1 0.589 88.2-153.6 -91.9-109.9 -19.1 4.7 7.3 17 46 A Q + 0 0 31 1,-1.2 2,-0.4 -5,-0.2 42,-0.3 0.500 63.7 57.4 143.4 24.6 -15.6 5.4 6.3 18 47 A P S S- 0 0 54 0, 0.0 -1,-1.2 0, 0.0 2,-0.6 -0.829 80.6-135.1-116.4 160.3 -12.8 3.1 6.4 19 48 A L E -i 60 0C 1 40,-2.2 42,-3.0 -2,-0.4 2,-0.9 -0.979 15.5-148.2-115.6 112.5 -14.1 0.4 4.2 20 49 A F E -i 61 0C 115 -2,-0.6 2,-0.8 40,-0.2 42,-0.2 -0.817 17.0-177.2 -91.4 106.5 -13.2 -2.9 5.9 21 50 A M E -i 62 0C 0 40,-2.5 42,-2.6 -2,-0.9 2,-0.8 -0.847 2.6-177.0-106.1 98.2 -12.6 -5.6 3.4 22 51 A T E -i 63 0C 21 -2,-0.8 20,-2.4 40,-0.2 21,-0.4 -0.826 16.2-149.9-101.1 106.7 -11.9 -8.9 5.2 23 52 A V E +iJ 64 41C 0 40,-2.0 42,-2.1 -2,-0.8 2,-0.3 -0.575 42.7 137.1 -70.7 129.2 -11.1 -11.8 2.9 24 53 A Q E - J 0 40C 56 16,-1.9 16,-1.7 -2,-0.3 42,-0.1 -0.972 45.8 -63.4-162.7 174.1 -12.3 -14.9 4.7 25 54 A R E - J 0 39C 130 40,-0.3 14,-0.2 -2,-0.3 18,-0.2 -0.388 41.6-150.0 -73.5-173.7 -14.1 -18.3 4.6 26 55 A A - 0 0 18 12,-0.8 11,-0.2 -2,-0.1 13,-0.1 0.869 30.1-163.2-120.6-117.8 -17.5 -19.3 3.8 27 56 A H + 0 0 118 1,-0.2 2,-0.3 11,-0.1 10,-0.2 0.994 39.4 162.7 65.0 85.3 -20.5 -21.5 4.0 28 57 A W B -M 36 0D 36 8,-2.9 8,-2.8 16,-0.1 2,-0.7 -0.895 37.7-128.5-125.4 157.1 -22.7 -20.7 1.0 29 58 A S + 0 0 59 -2,-0.3 6,-0.1 6,-0.2 138,-0.1 -0.876 25.2 172.0-111.3 100.7 -25.6 -22.6 -0.6 30 59 A F S S+ 0 0 1 -2,-0.7 159,-0.5 136,-0.5 -1,-0.1 0.652 78.6 16.9 -77.8 -14.1 -25.0 -23.0 -4.4 31 60 A T S > S- 0 0 43 3,-0.1 3,-1.4 135,-0.1 -1,-0.2 -0.989 95.8 -83.5-154.5 155.7 -28.1 -25.3 -4.3 32 61 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.363 112.6 15.8 -64.0 136.8 -31.1 -26.2 -2.1 33 62 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -2,-0.1 -4,-0.0 0.660 113.1 96.3 74.7 17.1 -30.4 -28.7 0.7 34 63 A T < - 0 0 27 -3,-1.4 2,-0.3 132,-0.1 -1,-0.3 -0.910 49.5-170.3-133.1 162.2 -26.6 -28.2 0.2 35 64 A R - 0 0 176 130,-0.6 2,-0.3 -2,-0.3 -6,-0.2 -0.934 5.1-176.8-155.4 131.1 -23.8 -26.2 1.8 36 65 A A B -M 28 0D 3 -8,-2.8 -8,-2.9 -2,-0.3 2,-0.7 -0.922 31.0-118.5-126.7 152.4 -20.3 -25.7 0.7 37 66 A S + 0 0 64 -2,-0.3 2,-0.1 -10,-0.2 -12,-0.0 -0.827 49.5 163.2 -89.5 116.5 -17.4 -23.8 2.3 38 67 A V - 0 0 8 -2,-0.7 -12,-0.8 89,-0.1 2,-0.3 -0.286 33.3-103.1-115.5-159.8 -16.4 -21.1 -0.2 39 68 A W E +J 25 0C 16 87,-2.1 7,-1.4 -14,-0.2 2,-0.3 -0.967 49.7 116.6-133.8 151.0 -14.4 -17.8 -0.3 40 69 A G E -Jk 24 46C 0 -16,-1.7 -16,-1.9 -2,-0.3 2,-0.4 -0.918 57.5 -67.4-178.4-156.0 -15.5 -14.2 -0.2 41 70 A I E S+J 23 0C 1 5,-2.1 -18,-0.2 -2,-0.3 3,-0.2 -0.989 103.0 0.0-130.8 124.2 -15.4 -10.9 1.7 42 71 A N S S- 0 0 70 -20,-2.4 -1,-0.1 -2,-0.4 -19,-0.1 0.876 129.9 -52.6 69.4 40.9 -17.1 -10.3 5.1 43 72 A G S S+ 0 0 40 -21,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.688 112.8 107.9 71.8 23.0 -18.7 -13.8 5.4 44 73 A R S S- 0 0 59 2,-0.3 2,-0.4 -3,-0.2 -1,-0.2 -0.805 78.3-102.4-123.3 166.5 -20.4 -13.9 2.0 45 74 A Y S S- 0 0 2 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.737 103.2 -9.7 -84.4 136.7 -19.8 -15.8 -1.2 46 75 A L B S-k 40 0C 4 -7,-1.4 -5,-2.1 81,-0.9 -2,-0.3 -0.505 109.5 -85.8 68.4-138.0 -18.2 -13.2 -3.5 47 76 A G - 0 0 1 -7,-0.2 2,-0.2 82,-0.2 84,-0.2 -0.814 38.6 -69.9-150.8-170.7 -18.4 -9.8 -1.7 48 77 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 -38,-0.2 -0.600 53.9-103.1 -87.5 151.5 -20.5 -6.7 -0.9 49 78 A T E -e 10 0B 0 -40,-1.5 -38,-3.3 -2,-0.2 2,-0.4 -0.646 38.1-145.4 -77.0 122.9 -21.1 -4.1 -3.6 50 79 A I E -ef 11 132B 0 81,-2.3 83,-3.6 -2,-0.5 2,-0.4 -0.733 12.9-165.4 -91.8 138.1 -18.8 -1.2 -3.0 51 80 A R E +ef 12 133B 35 -40,-1.4 -38,-2.9 -2,-0.4 2,-0.3 -0.979 14.0 163.7-128.4 123.5 -19.9 2.4 -3.7 52 81 A V E - f 0 134B 0 81,-2.3 83,-2.7 -2,-0.4 2,-0.4 -0.833 27.2-125.8-127.8 167.3 -17.6 5.4 -3.9 53 82 A W E > - f 0 135B 55 -2,-0.3 3,-2.5 81,-0.2 50,-0.2 -0.938 29.2 -99.4-122.5 141.9 -18.0 8.9 -5.4 54 83 A K T 3 S+ 0 0 94 81,-2.6 50,-0.2 -2,-0.4 3,-0.1 -0.260 113.8 26.8 -52.1 133.5 -15.9 10.8 -7.9 55 84 A G T 3 S+ 0 0 46 48,-2.1 -1,-0.3 1,-0.3 49,-0.1 0.363 94.8 132.4 90.4 -4.9 -13.6 13.2 -6.0 56 85 A D < - 0 0 30 -3,-2.5 47,-3.2 1,-0.1 2,-0.4 -0.412 51.3-150.2 -77.7 155.6 -13.6 10.9 -3.0 57 86 A D E -N 102 0E 97 45,-0.3 2,-0.1 -2,-0.1 -1,-0.1 -0.768 28.8-162.5-125.3 77.6 -10.4 9.9 -1.2 58 87 A V E -N 101 0E 0 43,-1.9 43,-2.7 -2,-0.4 2,-0.7 -0.402 15.9-144.4 -72.6 139.6 -11.4 6.5 0.1 59 88 A K E -N 100 0E 69 -42,-0.3 -40,-2.2 41,-0.3 2,-0.4 -0.899 20.6-172.4-104.9 105.2 -9.7 4.6 2.8 60 89 A L E -i 19 0C 1 39,-2.0 2,-0.6 -2,-0.7 -40,-0.2 -0.855 7.4-165.7-101.5 132.6 -9.7 0.9 2.1 61 90 A I E -i 20 0C 36 -42,-3.0 -40,-2.5 -2,-0.4 2,-0.4 -0.898 6.0-168.1-121.4 100.9 -8.5 -1.6 4.7 62 91 A Y E -iL 21 97C 4 35,-3.6 35,-2.5 -2,-0.6 2,-0.5 -0.752 3.0-172.3 -90.3 131.4 -7.9 -5.1 3.3 63 92 A S E -iL 22 96C 20 -42,-2.6 -40,-2.0 -2,-0.4 2,-0.9 -0.982 16.0-142.7-127.5 121.6 -7.4 -7.9 5.9 64 93 A N E +i 23 0C 0 31,-3.1 30,-3.0 -2,-0.5 31,-0.2 -0.726 32.2 158.2 -88.6 105.0 -6.3 -11.4 4.8 65 94 A R + 0 0 145 -42,-2.1 -40,-0.3 -2,-0.9 -1,-0.1 0.053 45.5 110.2-107.3 20.8 -8.0 -14.0 6.9 66 95 A L S S- 0 0 7 2,-0.2 28,-0.2 -42,-0.1 4,-0.1 -0.326 80.9-110.4 -90.0 176.7 -7.5 -16.7 4.2 67 96 A T S S+ 0 0 107 -2,-0.1 2,-0.3 26,-0.1 -1,-0.1 0.062 92.2 30.0 -97.9 24.5 -5.1 -19.7 4.3 68 97 A E S S- 0 0 51 23,-0.1 -2,-0.2 24,-0.0 2,-0.1 -0.974 97.9 -59.4-166.0 175.5 -2.7 -18.3 1.6 69 98 A N - 0 0 51 -2,-0.3 2,-0.4 23,-0.1 23,-0.2 -0.432 52.8-172.2 -67.5 137.9 -1.1 -15.3 -0.0 70 99 A V B -O 91 0F 0 21,-3.5 21,-3.1 -2,-0.1 2,-0.4 -0.998 18.2-174.3-139.3 138.7 -3.6 -12.9 -1.6 71 100 A S - 0 0 0 -2,-0.4 44,-3.0 19,-0.2 45,-0.5 -0.991 15.8-159.2-132.2 120.4 -3.4 -9.8 -3.7 72 101 A M E +G 114 0B 3 -2,-0.4 2,-0.3 17,-0.3 42,-0.2 -0.756 11.5 176.7-104.2 150.9 -6.6 -7.8 -4.6 73 102 A T E -G 113 0B 2 40,-2.2 40,-2.2 -2,-0.3 2,-0.6 -0.972 28.3-127.8-146.6 157.6 -7.3 -5.4 -7.4 74 103 A V E > -G 112 0B 6 10,-0.6 3,-1.7 -2,-0.3 2,-0.4 -0.940 29.0-133.7-111.3 111.3 -10.1 -3.3 -8.8 75 104 A A E 3 S+G 111 0B 2 36,-3.5 36,-1.1 -2,-0.6 57,-0.1 -0.515 89.8 12.9 -68.7 119.4 -10.7 -3.9 -12.5 76 105 A G T 3 S+ 0 0 5 -2,-0.4 -1,-0.2 1,-0.3 2,-0.2 0.430 88.7 149.1 96.9 0.9 -11.1 -0.6 -14.3 77 106 A L < - 0 0 2 -3,-1.7 2,-0.9 34,-0.2 277,-0.6 -0.460 42.6-140.9 -71.6 136.9 -9.9 1.6 -11.4 78 107 A Q + 0 0 15 -2,-0.2 26,-0.3 275,-0.1 -1,-0.1 -0.779 55.4 109.8-102.7 90.4 -8.1 4.8 -12.4 79 108 A V S S- 0 0 0 -2,-0.9 313,-0.1 24,-0.1 5,-0.1 -0.955 72.7 -73.8-152.3 165.0 -5.2 5.2 -9.9 80 109 A P > - 0 0 30 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.255 50.4-105.7 -63.4 151.9 -1.4 5.0 -9.9 81 110 A G G >> S+ 0 0 2 312,-1.8 3,-1.6 1,-0.3 4,-0.6 0.808 117.5 64.9 -47.0 -39.4 0.2 1.6 -10.1 82 111 A P G 34 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 312,-0.1 0.552 106.1 45.4 -66.2 -4.5 1.2 1.7 -6.4 83 112 A L G <4 S+ 0 0 40 -3,-2.6 -2,-0.2 315,-0.1 3,-0.1 0.295 95.0 76.2-119.0 5.8 -2.6 1.7 -5.6 84 113 A M T <4 S- 0 0 4 -3,-1.6 -10,-0.6 1,-0.5 2,-0.3 0.950 85.5-134.7 -77.6 -53.3 -3.9 -1.0 -7.9 85 114 A G < + 0 0 4 -4,-0.6 -1,-0.5 -12,-0.2 -12,-0.1 -0.660 48.9 109.0 123.5-173.2 -2.8 -4.3 -6.2 86 115 A G S > S- 0 0 0 -2,-0.3 3,-2.5 -3,-0.1 -14,-0.2 -0.116 81.7 -13.7-124.1 -81.9 -1.6 -6.9 -7.0 87 116 A P G > S+ 0 0 38 0, 0.0 3,-1.0 0, 0.0 29,-0.0 0.728 126.6 58.6 -54.5 -28.9 1.8 -8.7 -6.6 88 117 A A G 3 S+ 0 0 41 1,-0.3 309,-0.0 311,-0.1 -17,-0.0 0.741 115.3 36.6 -72.4 -21.7 3.5 -5.6 -5.4 89 118 A R G < S+ 0 0 77 -3,-2.5 -17,-0.3 -17,-0.1 -1,-0.3 -0.105 85.5 162.0-120.9 32.8 0.9 -5.4 -2.6 90 119 A M < - 0 0 78 -3,-1.0 2,-0.5 -19,-0.1 -19,-0.2 -0.210 27.3-146.4 -58.0 143.9 0.6 -9.1 -1.8 91 120 A M B -O 70 0F 4 -21,-3.1 -21,-3.5 4,-0.1 3,-0.1 -0.959 6.4-153.7-115.9 125.5 -0.9 -10.0 1.6 92 121 A S > - 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