==== 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 31-OCT-06 2NQQ . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 1612 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1041 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 275 17.1 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 0.2 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 . 138 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 5 3 3 0 2 4 4 5 1 0 4 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 12 2 7 3 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 PARALLEL BRIDGES PER LADDER . 24 9 10 11 12 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 ANTIPARALLEL BRIDGES PER LADDER . 9 10 4 0 4 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 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 0 169 0, 0.0 2,-0.4 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -52.6 37.6 -13.8 -29.9 2 8 A M B -a 270 0A 35 267,-2.3 269,-3.1 1,-0.1 2,-0.0 -0.766 360.0-121.8 -93.3 136.4 39.4 -15.0 -26.8 3 9 A S > - 0 0 32 -2,-0.4 4,-1.9 267,-0.2 5,-0.1 -0.286 13.2-122.6 -76.2 157.6 37.5 -15.0 -23.5 4 10 A L H > S+ 0 0 16 267,-0.3 4,-3.1 2,-0.2 5,-0.2 0.860 111.5 56.6 -65.9 -36.3 38.6 -13.1 -20.5 5 11 A D H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 108.2 46.1 -65.0 -46.3 38.6 -16.2 -18.4 6 12 A T H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 115.3 47.3 -58.1 -46.1 41.1 -18.0 -20.7 7 13 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.951 111.5 49.4 -65.4 -52.3 43.3 -14.9 -20.8 8 14 A L H X S+ 0 0 31 -4,-3.1 4,-2.2 1,-0.2 3,-0.3 0.905 111.9 50.0 -43.0 -50.6 43.3 -14.4 -17.1 9 15 A N H X S+ 0 0 82 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.828 108.0 51.5 -74.0 -28.5 44.2 -18.1 -16.6 10 16 A E H X S+ 0 0 94 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.3 0.824 111.4 49.6 -71.3 -28.4 47.0 -18.0 -19.0 11 17 A M H >X S+ 0 0 0 -4,-1.7 3,-0.8 -3,-0.3 4,-0.7 0.980 116.2 38.5 -72.4 -54.2 48.5 -14.9 -17.2 12 18 A L H 3< S+ 0 0 36 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.771 106.5 64.6 -68.4 -31.9 48.3 -16.3 -13.7 13 19 A S H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 106.3 45.8 -66.0 -25.8 49.3 -19.8 -14.6 14 20 A R H << S+ 0 0 106 -3,-0.8 -1,-0.2 -4,-0.6 2,-0.2 0.706 93.2 100.7 -84.6 -23.6 52.8 -18.5 -15.7 15 21 A V < - 0 0 8 -4,-0.7 -4,-0.0 -3,-0.5 -3,-0.0 -0.466 56.0-155.7 -79.4 129.0 53.4 -16.2 -12.7 16 22 A T - 0 0 115 -2,-0.2 -3,-0.0 297,-0.0 -2,-0.0 -0.937 26.4-123.3 -97.7 118.6 55.6 -17.2 -9.7 17 23 A P - 0 0 53 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.306 32.4-102.0 -55.0 140.2 54.7 -15.4 -6.5 18 24 A L + 0 0 24 295,-2.5 151,-0.1 294,-0.2 154,-0.0 -0.267 37.5 177.5 -64.6 151.3 57.5 -13.3 -4.9 19 25 A T + 0 0 116 2,-0.0 -1,-0.1 149,-0.0 295,-0.0 0.547 41.5 108.6-129.8 -24.1 59.3 -14.8 -1.9 20 26 A A - 0 0 58 149,-0.1 150,-2.3 1,-0.1 2,-0.3 -0.312 53.8-166.2 -59.5 150.1 62.0 -12.4 -0.8 21 27 A Q E -B 169 0B 105 148,-0.3 2,-0.3 146,-0.0 148,-0.2 -0.794 24.7-156.9-134.0 167.3 61.1 -10.6 2.4 22 28 A E E -B 168 0B 83 146,-2.2 146,-2.8 -2,-0.3 2,-0.6 -0.970 25.2-123.0-140.9 156.9 61.8 -7.8 4.8 23 29 A T E +B 167 0B 68 -2,-0.3 146,-0.0 144,-0.2 -2,-0.0 -0.888 35.6 177.4-106.2 111.0 61.0 -7.5 8.5 24 30 A L E -B 166 0B 20 142,-2.3 142,-2.2 -2,-0.6 5,-0.1 -0.882 34.8-103.9-115.3 149.4 59.0 -4.4 9.4 25 31 A P E > -B 165 0B 53 0, 0.0 3,-2.3 0, 0.0 140,-0.3 -0.308 42.5-111.6 -58.9 143.7 57.4 -3.0 12.6 26 32 A L G > S+ 0 0 8 138,-1.9 3,-2.4 1,-0.3 4,-0.3 0.822 114.1 65.5 -55.7 -38.5 53.7 -3.7 12.7 27 33 A V G 3 S+ 0 0 49 1,-0.3 -1,-0.3 137,-0.2 3,-0.3 0.708 105.2 48.9 -61.8 -15.7 52.7 -0.0 12.3 28 34 A Q G < S+ 0 0 113 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.348 93.3 80.3-102.0 3.5 54.3 -0.2 8.8 29 35 A C X + 0 0 0 -3,-2.4 3,-2.4 -4,-0.2 121,-0.3 0.429 49.9 132.4 -97.2 1.7 52.6 -3.5 7.7 30 36 A F T 3 S+ 0 0 27 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.313 86.4 5.3 -56.1 126.4 49.1 -2.4 6.6 31 37 A G T 3 S+ 0 0 22 119,-3.3 -1,-0.3 1,-0.3 120,-0.1 0.371 102.6 130.5 81.9 -5.7 48.4 -4.0 3.2 32 38 A R < - 0 0 27 -3,-2.4 118,-3.1 118,-0.3 2,-0.6 -0.408 59.7-119.8 -83.1 154.6 51.6 -6.0 3.3 33 39 A I B -D 149 0C 11 136,-0.4 136,-3.0 116,-0.2 116,-0.2 -0.891 24.7-121.2-101.5 115.2 51.7 -9.8 2.7 34 40 A L B -C 168 0B 1 114,-2.1 113,-2.1 -2,-0.6 134,-0.3 -0.317 17.0-158.0 -49.5 125.5 53.0 -12.0 5.5 35 41 A A S S+ 0 0 21 132,-2.7 2,-0.3 111,-0.2 133,-0.2 0.755 72.1 16.7 -84.0 -26.0 56.0 -13.9 4.3 36 42 A S S S- 0 0 50 131,-0.7 -1,-0.2 109,-0.1 111,-0.1 -0.979 95.7 -77.3-141.0 158.1 55.8 -16.7 6.9 37 43 A D - 0 0 79 -2,-0.3 2,-0.7 109,-0.1 -2,-0.1 -0.175 38.9-131.0 -46.6 129.3 53.2 -18.1 9.4 38 44 A V E -E 144 0D 8 106,-2.7 105,-2.6 128,-0.0 106,-1.2 -0.864 29.9-163.1 -81.4 121.9 52.9 -16.1 12.4 39 45 A V E -E 142 0D 76 -2,-0.7 103,-0.2 103,-0.2 102,-0.1 -0.945 21.9-113.9-109.4 125.2 53.1 -18.8 15.1 40 46 A S - 0 0 2 101,-3.1 100,-2.6 -2,-0.5 101,-0.1 -0.383 19.1-163.2 -62.7 125.6 51.9 -18.0 18.6 41 47 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.477 72.3 29.2 -81.1 -2.0 54.7 -17.9 21.2 42 48 A L S S- 0 0 59 96,-0.1 2,-0.4 99,-0.1 99,-0.2 -0.904 82.9 -93.2-150.9 172.9 52.1 -18.1 23.9 43 49 A D - 0 0 36 -2,-0.3 95,-0.2 95,-0.2 92,-0.1 -0.787 46.1-121.4 -90.1 137.8 48.7 -19.2 25.3 44 50 A V B S+F 137 0E 30 93,-3.1 92,-2.2 -2,-0.4 93,-2.1 -0.988 101.0 24.4-131.7 118.2 45.9 -16.7 25.0 45 51 A P S S- 0 0 7 0, 0.0 89,-2.1 0, 0.0 -1,-0.2 0.694 82.8-152.1 -75.5 168.1 44.6 -16.0 27.4 46 52 A G S S+ 0 0 29 87,-0.2 2,-0.3 -2,-0.2 -2,-0.1 0.477 82.8 22.6 -80.7 -2.3 47.6 -16.8 29.7 47 53 A F S S- 0 0 95 84,-0.1 -1,-0.1 85,-0.1 87,-0.1 -0.976 104.3 -78.5-161.6 142.9 45.2 -17.5 32.5 48 54 A D + 0 0 54 -2,-0.3 50,-2.9 49,-0.1 2,-0.3 -0.328 65.0 177.1 -49.3 124.9 41.5 -18.4 32.9 49 55 A N E -GH 97 131F 8 82,-3.0 82,-2.7 48,-0.3 2,-0.3 -0.854 30.3 -87.2-135.2 167.5 39.9 -15.0 32.3 50 56 A S E - H 0 130F 0 46,-2.5 45,-2.3 43,-0.4 80,-0.2 -0.572 16.6-162.5 -85.8 138.8 36.3 -13.6 32.1 51 57 A A S S+ 0 0 6 78,-2.2 719,-0.3 -2,-0.3 718,-0.3 0.462 77.7 35.8 -85.2 -3.7 34.3 -13.6 28.9 52 58 A M S S- 0 0 41 77,-0.4 2,-0.4 41,-0.2 54,-0.1 -0.942 83.4-103.9-153.5 153.1 31.9 -11.0 30.4 53 59 A D S S+ 0 0 55 -2,-0.3 55,-1.8 40,-0.1 2,-0.3 -0.777 81.3 68.7 -82.7 133.5 31.5 -8.0 32.7 54 60 A G E S-IJ 92 107G 0 38,-2.7 38,-2.1 -2,-0.4 2,-0.4 -0.790 82.9 -30.0 165.4-126.3 30.0 -9.1 36.0 55 61 A Y E -IJ 91 106G 22 51,-2.0 51,-3.1 -2,-0.3 2,-0.5 -1.000 34.5-140.9-140.1 138.7 30.9 -11.2 39.0 56 62 A A E +IJ 90 105G 0 34,-2.9 34,-2.6 -2,-0.4 2,-0.3 -0.850 37.4 160.7 -95.4 131.7 33.1 -14.1 39.8 57 63 A V E - J 0 104G 0 47,-2.3 46,-2.1 -2,-0.5 47,-1.5 -0.853 37.1-116.0-140.1 173.5 31.7 -16.6 42.3 58 64 A R >> - 0 0 44 30,-0.3 4,-1.7 -2,-0.3 3,-0.8 -0.933 27.4-123.8-116.5 142.3 31.8 -20.1 43.6 59 65 A L H 3> S+ 0 0 54 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.805 108.9 58.5 -58.3 -33.6 28.9 -22.6 43.3 60 66 A A H 3> S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.876 106.4 47.7 -67.1 -36.2 28.7 -23.2 47.1 61 67 A D H <4>S+ 0 0 14 -3,-0.8 5,-0.6 2,-0.2 -1,-0.2 0.912 111.9 49.9 -68.8 -40.9 28.1 -19.4 47.8 62 68 A I H <5S+ 0 0 35 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.902 103.8 60.2 -60.8 -40.7 25.4 -19.3 45.1 63 69 A A H <5S+ 0 0 84 -4,-2.3 2,-1.4 1,-0.3 -1,-0.2 0.802 96.1 62.9 -62.9 -32.6 23.8 -22.4 46.6 64 70 A S T <5S- 0 0 54 -4,-1.2 2,-6.3 -3,-0.2 -1,-0.3 -0.688 92.1-149.8 -81.8 78.7 23.3 -20.4 49.8 65 71 A G T 5 + 0 0 64 -2,-1.4 -3,-0.1 54,-0.1 -2,-0.1 -0.010 52.0 129.8 -48.3 47.9 21.0 -18.0 48.0 66 72 A Q S - 0 0 50 0, 0.0 3,-1.4 0, 0.0 -14,-0.1 -0.149 26.9 -85.4 -76.1 158.6 36.4 -15.2 51.8 86 92 A A T 3 S+ 0 0 83 1,-0.2 3,-0.1 -26,-0.0 0, 0.0 -0.133 111.0 27.5 -50.6 151.0 33.3 -17.4 52.0 87 93 A G T 3 S+ 0 0 27 1,-0.2 2,-0.3 -19,-0.1 -1,-0.2 0.480 103.0 98.7 72.2 3.6 30.0 -15.7 51.2 88 94 A T < - 0 0 16 -3,-1.4 -30,-0.3 -20,-0.2 2,-0.3 -0.742 53.7-152.1-115.5 167.2 31.5 -13.0 48.9 89 95 A C E - k 0 70G 0 -20,-2.2 -18,-2.6 -2,-0.3 -17,-0.6 -0.833 15.9-122.5-128.3 171.7 32.0 -12.4 45.2 90 96 A I E -Ik 56 72G 0 -34,-2.6 -34,-2.9 -2,-0.3 -17,-0.2 -0.963 19.5-125.3-121.3 127.6 34.5 -10.5 43.1 91 97 A R E -Ik 55 73G 52 -19,-2.8 -17,-2.6 -2,-0.5 2,-0.4 -0.459 38.0-172.5 -62.6 131.5 33.7 -7.7 40.6 92 98 A I E -Ik 54 74G 0 -38,-2.1 -38,-2.7 -19,-0.2 2,-0.2 -0.991 16.4-153.2-138.9 136.4 35.2 -8.7 37.2 93 99 A M > - 0 0 59 -19,-1.7 3,-1.7 -2,-0.4 -43,-0.4 -0.678 42.4 -80.8-100.8 161.2 35.7 -7.1 33.8 94 100 A T T 3 S+ 0 0 19 1,-0.2 -43,-0.2 -2,-0.2 -1,-0.1 -0.318 118.3 18.0 -55.5 136.1 35.9 -8.7 30.3 95 101 A G T 3 S+ 0 0 24 -45,-2.3 -1,-0.2 1,-0.3 -44,-0.1 0.207 94.4 131.1 83.1 -14.2 39.5 -10.0 29.8 96 102 A A < - 0 0 0 -3,-1.7 -46,-2.5 -21,-0.2 -1,-0.3 -0.452 66.9-101.7 -78.4 144.5 40.4 -10.0 33.5 97 103 A P B -G 49 0F 20 0, 0.0 -17,-0.4 0, 0.0 -48,-0.3 -0.394 36.6-119.1 -60.9 130.9 42.0 -13.0 35.1 98 104 A V - 0 0 22 -50,-2.9 3,-0.1 -2,-0.1 -50,-0.1 -0.583 34.9-109.6 -69.2 134.9 39.5 -15.0 37.0 99 105 A P > - 0 0 5 0, 0.0 3,-2.1 0, 0.0 -18,-0.1 -0.250 45.5 -76.4 -67.6 156.8 40.5 -15.2 40.7 100 106 A E T 3 S+ 0 0 134 -20,-0.3 3,-0.1 1,-0.3 -16,-0.1 -0.241 117.4 13.2 -60.3 130.9 41.8 -18.5 42.3 101 107 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.241 84.8 147.6 90.0 -11.7 39.0 -20.9 43.0 102 108 A C < - 0 0 10 -3,-2.1 -1,-0.3 1,-0.2 -44,-0.2 -0.364 24.5-176.3 -57.9 130.0 36.4 -19.1 40.9 103 109 A E + 0 0 83 -46,-2.1 24,-3.0 1,-0.3 2,-0.3 0.434 61.7 6.2-104.3 -7.3 33.9 -21.6 39.4 104 110 A A E -J 57 0G 0 -47,-1.5 -47,-2.3 22,-0.2 2,-0.4 -0.983 54.2-133.8-169.3 155.6 31.8 -19.2 37.3 105 111 A V E -J 56 0G 0 23,-2.9 2,-0.5 -2,-0.3 -49,-0.2 -0.985 20.2-158.2-117.9 130.3 31.2 -15.7 36.0 106 112 A V E -J 55 0G 2 -51,-3.1 -51,-2.0 -2,-0.4 18,-0.1 -0.919 23.1-120.3-108.0 124.3 27.7 -14.2 36.3 107 113 A M E > -J 54 0G 40 -2,-0.5 3,-1.5 -53,-0.2 -53,-0.3 -0.357 21.7-117.5 -63.4 144.1 26.9 -11.4 33.9 108 114 A Q G > S+ 0 0 86 -55,-1.8 3,-0.8 1,-0.2 -1,-0.1 0.805 111.2 69.2 -40.2 -39.2 25.9 -8.1 35.5 109 115 A E G 3 S+ 0 0 95 1,-0.3 -1,-0.2 3,-0.0 2,-0.2 0.736 98.5 45.6 -60.4 -35.0 22.5 -8.5 33.8 110 116 A Q G < S+ 0 0 53 -3,-1.5 11,-0.8 1,-0.1 12,-0.6 -0.369 103.7 76.1-106.3 56.4 21.4 -11.5 35.9 111 117 A T < - 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