==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 02-NOV-06 2NRP . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 808 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 18.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 0 0 4 2 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 1 4 1 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 PARALLEL BRIDGES PER LADDER . 13 4 4 8 6 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 ANTIPARALLEL BRIDGES PER LADDER . 5 6 2 0 3 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 7 A L 0 0 174 0, 0.0 2,-0.4 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -7.0 -22.0 73.0 -2.5 2 8 A M B -a 270 0A 44 267,-0.8 269,-3.2 270,-0.0 2,-0.1 -0.995 360.0-120.6-131.5 129.5 -20.4 69.6 -3.1 3 9 A S > - 0 0 37 -2,-0.4 4,-2.2 267,-0.2 3,-0.3 -0.417 21.7-127.1 -65.4 136.4 -22.2 66.2 -3.5 4 10 A L H > S+ 0 0 18 267,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.852 110.3 54.5 -51.9 -34.9 -21.2 63.7 -0.9 5 11 A D H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.916 105.2 48.8 -69.8 -45.6 -20.5 61.3 -3.7 6 12 A T H > S+ 0 0 70 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.962 112.2 49.7 -58.7 -52.0 -18.1 63.6 -5.5 7 13 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.899 110.5 52.2 -48.4 -47.9 -16.2 64.3 -2.4 8 14 A L H X S+ 0 0 21 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.926 108.4 47.4 -60.2 -49.8 -16.0 60.6 -1.6 9 15 A N H X S+ 0 0 84 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.794 109.6 52.2 -72.5 -26.4 -14.6 59.5 -5.0 10 16 A E H X S+ 0 0 88 -4,-1.9 4,-1.0 -5,-0.2 3,-0.5 0.961 109.7 50.5 -69.6 -48.9 -11.9 62.2 -5.0 11 17 A M H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.941 114.9 44.7 -44.6 -52.2 -10.9 61.0 -1.6 12 18 A L H 3< S+ 0 0 32 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.710 105.8 58.2 -74.4 -21.4 -10.8 57.4 -2.9 13 19 A S H 3< S+ 0 0 91 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.685 106.1 49.5 -81.8 -15.1 -9.0 58.1 -6.2 14 20 A R H << S+ 0 0 108 -4,-1.0 2,-0.5 -3,-0.9 -1,-0.2 0.627 95.8 95.4 -91.3 -14.6 -5.9 59.6 -4.5 15 21 A V < - 0 0 3 -4,-0.5 -4,-0.0 -3,-0.2 272,-0.0 -0.687 55.6-163.8 -98.6 122.2 -5.7 56.7 -2.1 16 22 A T - 0 0 107 -2,-0.5 3,-0.1 297,-0.0 -3,-0.0 -0.846 28.6-117.5 -99.7 129.8 -3.5 53.7 -2.6 17 23 A P - 0 0 51 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.412 34.4-102.0 -66.9 144.5 -4.3 50.6 -0.5 18 24 A L - 0 0 25 295,-2.5 151,-0.1 1,-0.1 154,-0.0 -0.164 34.4-177.6 -52.1 154.6 -1.6 49.5 2.0 19 25 A T + 0 0 116 -3,-0.1 -1,-0.1 2,-0.0 295,-0.0 0.549 41.4 115.6-131.1 -29.2 0.5 46.5 1.0 20 26 A A - 0 0 45 149,-0.1 150,-2.6 1,-0.1 2,-0.3 -0.205 52.3-165.8 -39.1 126.9 2.8 45.8 3.9 21 27 A Q E -B 169 0B 105 148,-0.3 2,-0.3 146,-0.0 148,-0.2 -0.772 22.0-167.1-122.7 165.7 1.7 42.4 5.2 22 28 A E E -B 168 0B 72 146,-2.5 146,-3.4 -2,-0.3 2,-0.5 -0.972 22.9-124.1-144.6 152.6 2.2 40.1 8.1 23 29 A T E +B 167 0B 72 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.851 35.1 170.9-102.0 130.0 1.4 36.4 8.6 24 30 A L E -B 166 0B 25 142,-3.0 142,-2.8 -2,-0.5 2,-0.2 -0.939 38.3 -98.5-136.6 154.0 -0.9 35.3 11.4 25 31 A P E > -B 165 0B 46 0, 0.0 3,-2.3 0, 0.0 140,-0.3 -0.486 43.6-112.8 -66.1 144.0 -2.7 32.3 12.7 26 32 A L G > S+ 0 0 8 138,-1.1 3,-2.9 1,-0.3 4,-0.2 0.823 112.0 67.7 -46.8 -45.3 -6.4 32.3 11.7 27 33 A V G 3 S+ 0 0 43 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.755 102.9 48.1 -56.5 -23.8 -7.6 32.8 15.2 28 34 A Q G < S+ 0 0 116 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.196 91.5 82.7 -97.7 15.2 -6.1 36.3 15.1 29 35 A C X + 0 0 0 -3,-2.9 3,-2.3 -4,-0.1 121,-0.3 0.217 48.8 139.2-108.3 16.8 -7.5 37.4 11.7 30 36 A F T 3 S+ 0 0 32 -3,-0.4 121,-0.2 1,-0.3 3,-0.1 -0.403 83.3 7.4 -59.3 135.7 -10.9 38.6 12.6 31 37 A G T 3 S+ 0 0 23 119,-2.3 -1,-0.3 1,-0.2 2,-0.2 0.351 104.5 138.5 77.1 -4.0 -11.6 41.8 10.6 32 38 A R < - 0 0 29 -3,-2.3 118,-3.2 118,-0.4 2,-0.7 -0.426 53.3-124.2 -90.5 148.9 -8.4 41.3 8.7 33 39 A I B -D 149 0C 11 136,-0.4 136,-2.5 116,-0.2 116,-0.2 -0.732 26.1-119.6 -94.3 113.6 -7.7 41.7 5.0 34 40 A L B -C 168 0B 0 114,-2.9 113,-3.2 -2,-0.7 134,-0.3 -0.234 20.8-164.6 -39.3 128.7 -6.3 38.8 3.1 35 41 A A S S+ 0 0 22 132,-3.3 2,-0.3 1,-0.2 133,-0.2 0.715 71.3 26.6 -89.4 -31.9 -2.9 39.8 1.7 36 42 A S S S- 0 0 49 131,-0.7 -1,-0.2 109,-0.1 108,-0.1 -0.991 93.1 -92.6-134.7 141.5 -2.6 37.0 -0.8 37 43 A D - 0 0 81 -2,-0.3 2,-0.4 -3,-0.1 -2,-0.0 -0.267 41.8-131.4 -42.6 129.7 -5.1 34.8 -2.7 38 44 A V E -E 144 0D 11 106,-2.9 105,-3.3 128,-0.0 106,-0.8 -0.805 24.4-161.6 -88.3 135.2 -5.7 31.6 -0.7 39 45 A V E -E 142 0D 67 -2,-0.4 103,-0.2 103,-0.3 102,-0.1 -0.867 21.4-107.7-118.9 148.1 -5.4 28.5 -2.8 40 46 A S - 0 0 4 101,-1.7 100,-2.8 98,-0.3 101,-0.2 -0.652 19.9-170.7 -82.2 123.4 -6.7 25.0 -2.0 41 47 A P S S+ 0 0 76 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.785 76.0 39.0 -65.5 -28.0 -4.2 22.3 -1.1 42 48 A L S S- 0 0 68 96,-0.1 2,-0.4 97,-0.1 98,-0.1 -0.674 84.9-105.3-122.4 164.4 -7.0 19.8 -1.3 43 49 A D - 0 0 49 -2,-0.2 95,-0.2 95,-0.2 92,-0.1 -0.758 40.6-121.8 -83.0 138.1 -10.0 18.8 -3.3 44 50 A V B S+F 137 0E 17 93,-3.3 93,-2.3 -2,-0.4 92,-1.9 -0.981 104.4 27.0-124.8 117.3 -13.4 19.5 -1.6 45 51 A P S S- 0 0 16 0, 0.0 89,-2.9 0, 0.0 92,-0.1 0.656 91.6-146.9 -77.4 174.3 -14.9 17.1 -1.3 46 52 A G S S+ 0 0 44 87,-0.2 2,-0.3 -2,-0.2 87,-0.1 0.554 72.1 7.3 -82.5 -8.9 -11.9 14.7 -1.1 47 53 A F S S- 0 0 98 84,-0.1 -1,-0.1 85,-0.1 84,-0.1 -0.968 93.0 -74.7-173.3 153.1 -13.4 11.6 -2.8 48 54 A D + 0 0 41 -2,-0.3 50,-1.6 50,-0.1 2,-0.3 -0.377 60.8 170.6 -69.7 134.6 -16.6 10.6 -4.7 49 55 A N E -GH 97 131F 10 82,-1.9 82,-2.6 48,-0.3 2,-0.3 -0.936 35.6 -79.5-149.6 165.9 -19.5 10.2 -2.2 50 56 A S E - H 0 130F 0 46,-2.5 45,-3.3 43,-0.4 80,-0.2 -0.508 18.4-159.6 -81.2 128.4 -23.2 9.7 -2.0 51 57 A A S S+ 0 0 19 78,-2.4 2,-0.3 -2,-0.3 -1,-0.2 0.626 76.9 16.0 -69.1 -16.0 -25.5 12.7 -2.4 52 58 A M S S- 0 0 43 77,-0.4 2,-0.8 41,-0.1 44,-0.1 -0.970 84.1 -88.7-149.5 164.0 -28.2 10.7 -0.5 53 59 A D S S+ 0 0 62 -2,-0.3 55,-2.2 40,-0.2 56,-0.3 -0.754 86.4 90.1 -71.0 108.9 -29.3 7.9 1.7 54 60 A G E S-IJ 92 107G 0 38,-2.6 38,-1.7 -2,-0.8 2,-0.3 -0.551 77.1 -59.1-162.3-125.7 -29.9 5.2 -0.9 55 61 A Y E -IJ 91 106G 18 51,-0.9 51,-2.2 36,-0.3 2,-0.5 -0.991 34.3-126.4-146.5 136.8 -28.1 2.4 -2.7 56 62 A A E +IJ 90 105G 0 34,-4.0 34,-1.8 -2,-0.3 2,-0.3 -0.729 40.8 170.5 -84.8 128.3 -24.9 2.2 -4.8 57 63 A V E - J 0 104G 0 47,-3.2 46,-2.2 -2,-0.5 47,-1.4 -0.844 33.5-131.5-132.4 167.2 -25.5 0.5 -8.2 58 64 A R >> - 0 0 54 -2,-0.3 4,-1.6 44,-0.2 3,-0.7 -0.991 25.9-128.4-117.8 133.9 -24.0 -0.3 -11.6 59 65 A L H 3> S+ 0 0 48 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.792 108.2 62.5 -47.0 -39.3 -26.0 0.3 -14.7 60 66 A A H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.979 105.5 46.6 -50.7 -55.0 -25.3 -3.2 -15.9 61 67 A D H <> S+ 0 0 12 -3,-0.7 4,-1.1 1,-0.2 5,-0.3 0.878 108.3 54.2 -60.9 -43.8 -27.1 -4.5 -12.8 62 68 A I H >< S+ 0 0 39 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.963 107.2 51.1 -52.1 -53.2 -30.1 -2.3 -13.2 63 69 A A H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.914 94.7 69.4 -55.8 -44.0 -30.7 -3.4 -16.7 64 70 A S H 3< S- 0 0 91 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.855 96.0-151.8 -40.2 -41.3 -30.6 -7.1 -15.7 65 71 A G << + 0 0 54 -3,-1.5 -1,-0.2 -4,-1.1 -2,-0.1 0.139 49.5 117.0 97.9 -18.0 -33.9 -6.0 -14.0 66 72 A Q S S- 0 0 75 -5,-0.3 -1,-0.3 1,-0.1 54,-0.2 -0.450 77.3 -84.1 -82.4 158.1 -34.1 -8.4 -11.1 67 73 A P - 0 0 39 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.259 44.3-133.1 -51.2 142.1 -34.0 -7.3 -7.5 68 74 A L B -L 118 0H 1 50,-2.5 50,-2.2 -3,-0.1 20,-0.2 -0.916 11.4-136.2-111.9 113.5 -30.5 -6.8 -6.1 69 75 A P - 0 0 60 0, 0.0 20,-2.4 0, 0.0 2,-0.7 -0.150 29.6-106.4 -49.0 158.7 -29.5 -8.2 -2.8 70 76 A V E -k 89 0G 71 18,-0.2 20,-0.2 1,-0.1 3,-0.1 -0.877 34.4-178.2 -97.2 116.8 -27.6 -5.9 -0.5 71 77 A A E - 0 0 36 18,-2.6 2,-0.3 -2,-0.7 19,-0.2 0.424 63.4 -38.6 -88.4 -3.6 -23.9 -7.1 -0.4 72 78 A G E - 0 0 6 17,-0.4 19,-3.2 12,-0.0 2,-0.3 -0.971 56.2-103.8 161.7-175.7 -22.8 -4.5 2.1 73 79 A K E -k 91 0G 111 -2,-0.3 2,-0.4 17,-0.2 19,-0.2 -0.981 13.2-153.6-150.9 122.8 -23.1 -0.9 3.3 74 80 A S E -k 92 0G 1 17,-2.4 19,-1.4 -2,-0.3 2,-0.3 -0.870 22.3-169.5 -99.2 130.4 -20.8 2.2 3.0 75 81 A F B > -N 78 0I 68 3,-2.3 3,-2.2 -2,-0.4 20,-0.1 -0.843 39.2 -94.9-118.0 156.3 -21.1 4.8 5.7 76 82 A A T 3 S+ 0 0 71 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.847 124.3 26.7 -20.9 -69.1 -19.9 8.4 6.3 77 83 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 19,-0.1 520,-0.1 -0.313 121.9 48.5-110.9 47.6 -16.9 7.1 8.3 78 84 A Q B < S-N 75 0I 117 -3,-2.2 -3,-2.3 -2,-0.2 -1,-0.2 -0.339 70.8-146.6-175.3 99.5 -16.3 3.6 6.9 79 85 A P - 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