==== 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 2NQR . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 807 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 18.3 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 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 65 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 3 0 0 3 1 4 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 5 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 . 14 4 5 7 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 . 4 6 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 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 0 181 0, 0.0 2,-0.5 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -57.5 19.0 17.9 3.3 2 8 A M B -a 270 0A 56 267,-2.0 269,-3.0 1,-0.1 266,-0.0 -0.657 360.0-123.8 -82.9 122.2 17.0 21.1 2.8 3 9 A S > - 0 0 43 -2,-0.5 4,-2.0 267,-0.2 5,-0.2 -0.279 13.8-127.8 -47.6 139.7 18.9 24.2 1.9 4 10 A L H > S+ 0 0 17 267,-0.3 4,-3.1 1,-0.2 5,-0.2 0.912 112.5 53.5 -56.8 -44.3 18.4 27.3 4.2 5 11 A D H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 106.6 48.5 -53.8 -49.2 17.6 29.2 1.0 6 12 A T H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 114.2 47.7 -64.8 -37.5 15.0 26.9 -0.2 7 13 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.956 111.9 48.5 -66.4 -49.2 13.3 26.9 3.3 8 14 A L H X S+ 0 0 37 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.937 113.2 47.3 -58.1 -52.2 13.4 30.7 3.5 9 15 A N H X S+ 0 0 97 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.885 110.9 52.3 -54.2 -44.9 12.0 31.2 0.0 10 16 A E H X S+ 0 0 78 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.971 112.6 44.9 -56.7 -53.2 9.3 28.6 0.8 11 17 A M H >X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 3,-0.5 0.926 117.0 44.9 -57.5 -44.4 8.3 30.5 4.0 12 18 A L H >< S+ 0 0 35 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.859 107.1 56.9 -73.3 -38.6 8.4 34.0 2.3 13 19 A S H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.732 105.3 54.0 -61.5 -24.5 6.5 33.0 -0.8 14 20 A R H << S+ 0 0 105 -4,-1.0 -1,-0.2 -3,-0.5 2,-0.2 0.777 96.1 82.9 -76.9 -27.7 3.5 31.8 1.3 15 21 A V << - 0 0 6 -3,-0.6 -4,-0.0 -4,-0.6 -3,-0.0 -0.484 60.0-152.8 -99.0 142.5 3.1 35.0 3.3 16 22 A T - 0 0 109 -2,-0.2 3,-0.1 297,-0.0 2,-0.1 -0.955 27.6-116.2-112.8 127.9 1.2 38.2 2.5 17 23 A P - 0 0 52 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.369 33.5-107.4 -61.0 140.8 2.3 41.5 4.1 18 24 A L - 0 0 27 295,-2.7 151,-0.1 1,-0.1 154,-0.0 -0.400 32.6-178.9 -60.6 142.0 -0.2 43.2 6.4 19 25 A T + 0 0 115 -2,-0.1 -1,-0.1 -3,-0.1 295,-0.0 0.518 39.8 120.0-117.2 -17.2 -1.8 46.3 5.0 20 26 A A - 0 0 49 149,-0.1 150,-2.4 1,-0.1 2,-0.2 -0.194 49.4-157.1 -57.3 137.5 -4.0 47.3 8.0 21 27 A Q E -B 169 0B 113 148,-0.2 2,-0.3 146,-0.0 148,-0.2 -0.729 23.9-174.3-126.4 161.3 -3.1 50.8 9.2 22 28 A E E -B 168 0B 82 146,-1.8 146,-2.5 -2,-0.2 2,-0.5 -0.962 27.5-124.3-151.4 143.8 -3.2 53.2 12.2 23 29 A T E +B 167 0B 74 -2,-0.3 -2,-0.0 144,-0.2 146,-0.0 -0.814 33.4 178.1 -99.8 128.5 -2.2 56.9 12.4 24 30 A L E -B 166 0B 19 142,-2.6 142,-2.2 -2,-0.5 5,-0.1 -0.973 34.4-101.3-132.4 152.7 0.4 57.9 15.0 25 31 A P E > -B 165 0B 45 0, 0.0 3,-1.7 0, 0.0 140,-0.3 -0.311 42.4-112.7 -62.0 148.8 2.3 61.0 16.1 26 32 A L G > S+ 0 0 7 138,-1.9 3,-2.0 1,-0.3 4,-0.1 0.826 113.6 62.3 -56.2 -39.4 5.8 61.1 14.7 27 33 A V G 3 S+ 0 0 47 1,-0.3 3,-0.3 137,-0.3 -1,-0.3 0.687 105.3 48.6 -63.0 -15.6 7.4 60.7 18.1 28 34 A Q G < S+ 0 0 113 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.258 92.9 82.1-105.1 11.7 5.7 57.2 18.5 29 35 A C X + 0 0 0 -3,-2.0 3,-2.3 -5,-0.1 121,-0.3 0.321 49.2 138.5-102.2 6.4 6.8 56.0 15.1 30 36 A F T 3 S+ 0 0 30 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.358 84.8 1.3 -59.9 124.9 10.3 54.7 15.6 31 37 A G T 3 S+ 0 0 21 119,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.444 100.6 133.7 78.4 2.7 10.8 51.4 13.7 32 38 A R < - 0 0 28 -3,-2.3 118,-2.6 118,-0.3 2,-0.8 -0.551 60.5-113.1 -82.0 152.0 7.2 51.5 12.3 33 39 A I B -D 149 0C 10 136,-0.4 136,-2.3 116,-0.2 116,-0.2 -0.755 28.3-122.8 -89.3 111.7 6.4 50.8 8.7 34 40 A L B -C 168 0B 0 114,-2.6 113,-3.0 -2,-0.8 134,-0.3 -0.231 21.9-163.8 -49.4 124.3 5.1 53.8 6.8 35 41 A A + 0 0 19 132,-3.0 2,-0.3 111,-0.2 133,-0.2 0.683 66.8 27.3 -90.7 -22.6 1.7 52.9 5.4 36 42 A S S S- 0 0 46 131,-0.7 -1,-0.1 109,-0.1 111,-0.1 -0.970 92.9 -88.8-136.2 152.3 1.2 55.6 2.7 37 43 A D - 0 0 91 -2,-0.3 2,-0.6 109,-0.1 -2,-0.0 -0.346 37.3-130.1 -59.5 139.4 3.5 57.8 0.7 38 44 A V E -E 144 0D 8 106,-2.7 105,-2.9 -2,-0.0 106,-0.9 -0.845 26.8-168.7 -92.6 120.2 4.6 61.0 2.3 39 45 A V E -E 142 0D 71 -2,-0.6 103,-0.3 103,-0.3 102,-0.1 -0.946 22.9-118.4-113.0 130.0 4.0 63.8 -0.1 40 46 A S - 0 0 1 101,-3.1 100,-3.6 -2,-0.4 101,-0.1 -0.515 20.2-171.2 -69.9 118.4 5.4 67.3 0.6 41 47 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.662 70.2 33.5 -76.2 -11.2 2.7 70.0 0.9 42 48 A L S S- 0 0 37 96,-0.1 2,-0.4 119,-0.1 98,-0.0 -0.880 84.1 -95.5-144.8 163.2 5.4 72.7 0.9 43 49 A D - 0 0 44 -2,-0.3 95,-0.2 95,-0.2 92,-0.1 -0.686 43.3-123.1 -76.1 132.6 8.8 74.0 -0.3 44 50 A V B S+F 137 0E 24 93,-2.9 92,-2.1 -2,-0.4 93,-2.1 -0.975 104.5 29.6-116.1 120.3 11.7 73.3 2.1 45 51 A P S S- 0 0 23 0, 0.0 89,-2.4 0, 0.0 -1,-0.2 0.662 90.2-150.1 -68.9 164.3 13.1 75.8 2.8 46 52 A G S S+ 0 0 38 87,-0.2 2,-0.3 553,-0.2 87,-0.1 0.632 71.7 12.3 -75.8 -14.8 9.9 77.9 2.5 47 53 A F S S- 0 0 43 85,-0.1 2,-0.2 551,-0.1 -1,-0.1 -0.994 90.2 -81.3-162.9 154.5 11.7 81.1 1.5 48 54 A D + 0 0 48 -2,-0.3 50,-1.6 84,-0.1 2,-0.3 -0.440 61.5 173.3 -62.1 125.6 15.0 82.5 0.3 49 55 A N E -GH 97 131F 16 82,-2.4 82,-3.0 48,-0.3 2,-0.2 -0.956 33.9 -89.3-141.2 161.8 17.1 82.9 3.4 50 56 A S E - H 0 130F 0 46,-2.9 45,-3.4 43,-0.4 80,-0.2 -0.471 15.6-164.2 -70.9 131.8 20.6 83.8 4.8 51 57 A A S S+ 0 0 30 78,-2.3 2,-0.3 -2,-0.2 43,-0.1 0.476 76.8 34.6 -85.7 -7.4 23.2 81.1 5.3 52 58 A M S S- 0 0 67 77,-0.4 2,-0.5 41,-0.1 43,-0.1 -0.974 83.7-103.0-142.9 158.6 25.2 83.6 7.5 53 59 A D S S+ 0 0 58 -2,-0.3 55,-2.1 40,-0.2 40,-0.3 -0.725 82.8 74.5 -70.9 122.9 25.2 86.4 10.0 54 60 A G E S-IJ 92 107G 0 38,-3.5 38,-2.3 -2,-0.5 2,-0.4 -0.739 80.6 -35.8 175.9-128.1 26.0 89.5 8.0 55 61 A Y E -IJ 91 106G 10 51,-2.2 51,-3.3 36,-0.3 2,-0.4 -0.998 32.9-139.1-139.2 142.4 24.5 91.9 5.5 56 62 A A E +IJ 90 105G 0 34,-2.8 34,-1.8 -2,-0.4 2,-0.2 -0.799 37.7 168.6 -96.4 126.7 22.1 91.7 2.6 57 63 A V E - J 0 104G 0 47,-2.5 46,-2.8 -2,-0.4 47,-1.4 -0.789 35.2-124.7-130.7 172.4 23.2 93.8 -0.3 58 64 A R >> - 0 0 53 -2,-0.2 4,-1.5 30,-0.2 3,-0.6 -0.946 29.0-124.6-114.9 150.9 22.6 94.6 -4.0 59 65 A L H 3> S+ 0 0 50 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.807 107.0 61.3 -73.1 -26.1 25.5 94.4 -6.3 60 66 A A H 3> S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.884 105.1 48.0 -62.6 -37.9 25.1 97.9 -7.6 61 67 A D H <>>S+ 0 0 18 -3,-0.6 4,-0.6 2,-0.2 5,-0.5 0.859 111.0 51.2 -71.0 -35.3 25.7 99.3 -4.2 62 68 A I H ><5S+ 0 0 34 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.926 106.2 54.9 -63.6 -44.7 28.7 97.1 -3.7 63 69 A A H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 95.4 66.2 -63.7 -26.9 30.1 98.3 -7.0 64 70 A S H 3<5S- 0 0 68 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.772 95.6-144.3 -61.1 -28.2 29.8 102.0 -5.9 65 71 A G T <<5 + 0 0 60 -3,-1.3 -3,-0.1 -4,-0.6 -2,-0.1 0.537 52.9 130.3 78.6 5.5 32.5 101.2 -3.3 66 72 A Q S -N 78 0I 91 3,-2.2 3,-3.0 -2,-0.5 20,-0.1 -0.728 38.6 -86.8 -98.9 153.3 16.1 88.4 12.2 76 82 A A T 3 S+ 0 0 21 1,-0.3 510,-0.2 -2,-0.3 20,-0.2 -0.367 122.0 5.9 -53.9 127.0 15.3 84.7 11.9 77 83 A G T 3 S+ 0 0 11 521,-0.6 -1,-0.3 18,-0.4 522,-0.1 0.550 125.6 74.7 66.6 7.9 11.6 84.6 12.4 78 84 A Q B < S-N 75 0I 116 -3,-3.0 -3,-2.2 520,-0.1 520,-0.1 -0.484 72.1-170.1-146.0 69.1 11.4 88.4 12.4 79 85 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.159 25.6-109.0 -66.1 153.2 11.9 89.5 8.7 80 86 A Y + 0 0 48 17,-0.4 -6,-0.1 1,-0.1 -8,-0.0 -0.713 39.0 164.8 -83.3 128.4 12.5 93.1 7.6 81 87 A H + 0 0 120 -2,-0.4 -1,-0.1 18,-0.1 3,-0.1 0.264 43.1 103.7-121.1 6.5 9.6 94.7 5.7 82 88 A G S S- 0 0 40 1,-0.2 2,-0.2 -11,-0.0 -10,-0.1 0.078 83.6 -61.6 -75.5-168.6 10.6 98.4 5.9 83 89 A E - 0 0 161 -12,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.556 38.2-158.5 -78.8 143.2 12.1 100.6 3.1 84 90 A W - 0 0 29 -2,-0.2 3,-0.1 -3,-0.1 4,-0.1 -0.811 19.9-159.6-119.5 86.9 15.4 99.6 1.7 85 91 A P > - 0 0 68 0, 0.0 3,-0.7 0, 0.0 -14,-0.1 -0.115 28.7 -84.4 -67.4 164.1 16.8 102.8 0.1 86 92 A A T 3 S+ 0 0 89 1,-0.2 3,-0.1 -25,-0.0 0, 0.0 -0.403 113.3 23.2 -61.6 140.6 19.5 103.0 -2.6 87 93 A G T 3 S+ 0 0 28 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.785 104.8 103.8 77.2 31.2 23.1 102.9 -1.3 88 94 A T < - 0 0 17 -3,-0.7 -1,-0.3 -20,-0.2 2,-0.3 -0.840 54.6-144.8-141.2 162.5 22.1 101.2 1.9 89 95 A C E - k 0 70G 0 -20,-2.2 -18,-3.0 -2,-0.3 -17,-0.6 -0.863 10.9-129.1-132.6 166.9 22.3 97.6 3.4 90 96 A I E -Ik 56 72G 0 -34,-1.8 -34,-2.8 -2,-0.3 -17,-0.2 -0.976 20.8-129.5-121.7 114.5 20.3 95.4 5.7 91 97 A R E -Ik 55 73G 51 -19,-2.3 -17,-2.8 -2,-0.5 2,-0.3 -0.468 36.6-172.0 -55.7 135.4 21.7 93.6 8.7 92 98 A I E -Ik 54 74G 0 -38,-2.3 -38,-3.5 -19,-0.2 2,-0.3 -0.995 17.1-150.1-143.2 142.7 20.8 89.9 8.5 93 99 A M > - 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