==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-SEP-00 1FR3 . COMPND 2 MOLECULE: MOLYBDATE/TUNGSTATE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPOROMUSA OVATA; . AUTHOR U.G.WAGNER,E.STUPPERICH,C.KRATKY . 804 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 79.7 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 . 360 44.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 3.0 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 . 134 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 7.5 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 0 0 0 12 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 . 12 0 12 0 0 24 0 12 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 0 0 0 12 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 0 143 0, 0.0 2,-0.2 0, 0.0 249,-0.0 0.000 360.0 360.0 360.0 142.3 58.4 15.5 -9.4 2 2 A K - 0 0 104 248,-0.1 201,-2.2 247,-0.1 2,-0.4 -0.512 360.0-139.9 -75.8 153.8 61.5 17.2 -8.0 3 3 A I B -A 202 0A 18 199,-0.2 199,-0.2 -2,-0.2 246,-0.0 -0.969 10.3-146.2-121.7 128.0 60.7 20.3 -6.0 4 4 A S S S+ 0 0 3 197,-2.2 56,-0.2 -2,-0.4 239,-0.2 0.853 74.1 102.5 -61.1 -37.3 62.7 23.6 -6.0 5 5 A G - 0 0 0 1,-0.2 54,-0.2 196,-0.2 -2,-0.2 -0.326 65.5-155.6 -49.5 116.9 61.9 24.3 -2.3 6 6 A R + 0 0 45 97,-0.1 2,-0.7 -2,-0.1 53,-0.2 0.702 64.1 79.5 -77.3 -21.4 65.2 23.2 -0.9 7 7 A N E +F 58 0B 1 51,-2.1 51,-2.3 96,-0.1 2,-0.5 -0.804 50.5 169.8 -98.9 115.7 64.3 22.3 2.7 8 8 A K E -F 57 0B 66 -2,-0.7 2,-0.5 93,-0.4 49,-0.2 -0.983 7.8-176.0-119.6 124.1 62.7 18.9 3.2 9 9 A L E -F 56 0B 2 47,-2.6 47,-3.1 -2,-0.5 2,-0.9 -0.976 21.2-140.9-122.2 116.3 62.2 17.5 6.8 10 10 A E E +F 55 0B 160 -2,-0.5 45,-0.2 45,-0.2 20,-0.2 -0.664 43.5 159.2 -77.5 106.6 60.8 14.0 7.2 11 11 A A E -F 54 0B 3 43,-2.6 43,-2.6 -2,-0.9 2,-0.4 -0.608 39.1-120.2-125.0 179.2 58.5 14.4 10.1 12 12 A T E -FG 53 28B 34 16,-2.0 16,-2.6 41,-0.2 2,-0.4 -0.986 27.7-119.4-126.3 133.4 55.5 12.9 11.9 13 13 A V E + G 0 27B 2 39,-2.7 38,-3.1 -2,-0.4 14,-0.3 -0.597 31.6 172.8 -70.7 129.5 52.2 14.6 12.6 14 14 A K E - 0 0 82 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.828 62.9 -5.3 -99.8 -49.9 51.4 14.8 16.3 15 15 A E E - G 0 26B 130 11,-1.5 11,-2.8 34,-0.1 2,-0.4 -0.985 52.7-152.8-148.9 154.2 48.3 17.0 16.4 16 16 A I E - G 0 25B 38 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.996 4.9-168.2-131.4 127.5 46.0 18.9 14.1 17 17 A V E - G 0 24B 51 7,-2.1 7,-2.7 -2,-0.4 2,-0.5 -0.980 15.0-153.2-115.9 119.3 43.9 21.9 15.2 18 18 A K E + G 0 23B 140 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.837 15.0 178.3 -99.4 125.7 41.3 23.0 12.6 19 19 A G - 0 0 15 3,-2.8 136,-0.0 -2,-0.5 272,-0.0 -0.228 50.0 -86.3-103.0-162.7 40.0 26.5 12.3 20 20 A T S S+ 0 0 69 -2,-0.1 3,-0.1 138,-0.1 135,-0.0 0.846 119.9 0.2 -77.0 -34.3 37.5 27.9 9.8 21 21 A V S S+ 0 0 4 1,-0.2 19,-2.5 19,-0.1 20,-0.4 0.714 128.6 47.6-120.0 -44.0 40.1 28.6 7.1 22 22 A M E - H 0 39B 4 17,-0.3 -3,-2.8 18,-0.1 2,-0.4 -0.625 59.5-154.7-104.4 161.1 43.5 27.6 8.5 23 23 A A E -GH 18 38B 0 15,-3.0 15,-2.0 -5,-0.2 2,-0.6 -0.992 13.6-136.5-134.5 138.5 44.8 24.5 10.3 24 24 A K E -GH 17 37B 34 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.6 -0.874 17.2-163.2 -94.3 123.4 47.7 24.1 12.7 25 25 A I E -GH 16 36B 0 11,-3.2 11,-2.5 -2,-0.6 2,-0.5 -0.944 3.4-163.2-110.5 110.1 49.8 21.0 12.0 26 26 A V E +GH 15 35B 12 -11,-2.8 -12,-3.3 -2,-0.6 -11,-1.5 -0.868 17.5 177.4 -95.8 123.3 52.0 20.1 14.9 27 27 A M E -GH 13 34B 0 7,-2.8 7,-2.8 -2,-0.5 2,-0.5 -0.854 27.6-132.1-126.0 161.0 54.8 17.7 13.9 28 28 A D E -GH 12 33B 52 -16,-2.6 -16,-2.0 -2,-0.3 2,-0.5 -0.957 17.2-174.7-111.0 131.0 57.8 16.0 15.5 29 29 A Y E > S- H 0 32B 5 3,-3.0 3,-2.4 -2,-0.5 -18,-0.1 -0.896 75.0 -43.7-125.2 99.1 61.2 16.1 13.7 30 30 A K T 3 S- 0 0 108 -2,-0.5 3,-0.1 1,-0.3 -19,-0.1 0.824 125.0 -39.1 49.8 37.5 63.8 14.0 15.4 31 31 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.293 117.6 110.7 98.7 -12.0 62.6 15.4 18.8 32 32 A T E < -H 29 0B 31 -3,-2.4 -3,-3.0 43,-0.0 2,-0.4 -0.831 66.7-127.2 -98.2 137.6 62.0 19.0 17.6 33 33 A E E -H 28 0B 105 -2,-0.4 43,-0.3 -5,-0.2 2,-0.3 -0.697 25.8-168.2 -84.2 131.6 58.5 20.3 17.4 34 34 A L E -H 27 0B 0 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.4 -0.879 5.1-158.8-114.9 150.6 57.5 21.9 14.1 35 35 A V E -H 26 0B 9 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.981 8.2-176.3-134.7 119.7 54.4 24.0 13.4 36 36 A A E -H 25 0B 0 -11,-2.5 -11,-3.2 -2,-0.4 2,-0.6 -0.929 13.8-153.6-113.1 140.0 52.9 24.5 10.0 37 37 A A E +H 24 0B 0 91,-2.4 2,-0.2 -2,-0.4 -13,-0.2 -0.959 33.3 152.9-113.1 108.7 49.9 26.7 9.3 38 38 A I E -H 23 0B 1 -15,-2.0 -15,-3.0 -2,-0.6 2,-0.1 -0.724 47.4 -78.1-126.3 175.7 48.1 25.5 6.1 39 39 A T E >> -H 22 0B 4 -17,-0.2 4,-1.3 -2,-0.2 3,-0.6 -0.456 30.4-126.0 -78.3 154.4 44.6 25.6 4.8 40 40 A I H 3> S+ 0 0 52 -19,-2.5 4,-2.1 1,-0.2 5,-0.2 0.845 111.8 66.4 -63.9 -28.1 41.9 23.3 6.0 41 41 A D H 3> S+ 0 0 44 -20,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.896 99.5 49.7 -57.6 -41.5 41.4 22.4 2.4 42 42 A S H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 5,-0.3 0.855 105.7 55.6 -68.3 -36.6 44.9 20.8 2.4 43 43 A V H X>S+ 0 0 4 -4,-1.3 5,-1.7 2,-0.2 4,-1.0 0.935 113.0 43.2 -59.5 -44.1 44.1 18.8 5.5 44 44 A A H <5S+ 0 0 77 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.927 115.4 47.8 -65.9 -46.7 41.2 17.3 3.7 45 45 A D H <5S+ 0 0 57 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 120.5 36.5 -62.6 -47.6 43.0 16.8 0.4 46 46 A L H <5S- 0 0 7 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.620 101.6-135.3 -80.3 -12.8 46.0 15.1 2.0 47 47 A D T <5 - 0 0 110 -4,-1.0 -3,-0.2 -5,-0.3 2,-0.2 0.930 32.2-166.0 54.3 46.7 43.8 13.4 4.6 48 48 A L < + 0 0 7 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.0 -0.445 15.3 166.2 -66.4 132.9 46.3 14.4 7.3 49 49 A V > - 0 0 64 -2,-0.2 3,-2.1 -3,-0.1 -36,-0.2 -0.972 45.6 -77.5-143.4 156.3 45.8 12.6 10.6 50 50 A P T 3 S+ 0 0 82 0, 0.0 -36,-0.2 0, 0.0 3,-0.1 -0.262 117.2 31.5 -54.2 135.2 48.0 12.2 13.7 51 51 A G T 3 S+ 0 0 50 -38,-3.1 -37,-0.1 1,-0.3 2,-0.1 0.198 84.9 140.1 99.0 -13.3 50.7 9.6 13.2 52 52 A D < - 0 0 32 -3,-2.1 -39,-2.7 -40,-0.1 2,-0.5 -0.368 52.4-131.7 -66.1 138.2 51.1 10.4 9.5 53 53 A K E +F 12 0B 155 -41,-0.2 2,-0.3 -3,-0.1 -41,-0.2 -0.821 43.7 160.9 -86.7 125.2 54.7 10.4 8.2 54 54 A V E -F 11 0B 6 -43,-2.6 -43,-2.6 -2,-0.5 2,-0.5 -0.847 40.6-114.7-138.8 172.5 55.0 13.6 6.1 55 55 A T E -FI 10 134B 18 79,-2.6 79,-2.4 -2,-0.3 2,-0.4 -0.968 20.5-147.1-115.4 120.9 57.6 16.0 4.6 56 56 A A E -FI 9 133B 0 -47,-3.1 -47,-2.6 -2,-0.5 2,-0.4 -0.740 22.8-159.8 -81.0 133.6 57.7 19.5 6.0 57 57 A L E +FI 8 132B 3 75,-2.2 75,-2.6 -2,-0.4 2,-0.4 -0.978 15.5 176.9-124.0 130.4 58.8 21.8 3.1 58 58 A V E -F 7 0B 3 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.1 -0.990 28.3-125.0-134.5 131.3 60.3 25.3 3.2 59 59 A K > - 0 0 7 71,-0.5 3,-2.1 -2,-0.4 46,-0.1 -0.429 24.4-125.2 -70.7 140.4 61.5 27.5 0.3 60 60 A A G > S+ 0 0 3 1,-0.3 45,-2.3 -56,-0.2 3,-1.3 0.857 109.6 56.6 -54.1 -36.4 65.2 28.6 0.7 61 61 A T G 3 S+ 0 0 1 1,-0.3 -1,-0.3 43,-0.2 272,-0.2 0.548 102.4 57.1 -76.2 -5.0 64.2 32.3 0.4 62 62 A E G < S+ 0 0 14 -3,-2.1 2,-0.6 68,-0.1 65,-0.5 0.199 86.5 93.5-109.1 14.3 61.8 32.0 3.3 63 63 A M < - 0 0 1 -3,-1.3 42,-0.3 42,-0.2 63,-0.2 -0.935 57.7-162.2-112.4 118.7 64.3 30.7 5.9 64 64 A E E -K 125 0C 8 61,-2.5 61,-2.7 -2,-0.6 2,-0.4 -0.505 10.1-137.4 -91.6 164.5 66.1 33.3 8.1 65 65 A V E -K 124 0C 0 59,-0.2 211,-2.3 -2,-0.2 2,-0.4 -0.995 14.6-167.1-124.9 130.1 69.3 32.7 10.1 66 66 A L E KL 123 275C 1 57,-2.6 57,-2.7 -2,-0.4 209,-0.2 -0.934 360.0 360.0-116.7 141.7 69.8 33.9 13.7 67 67 A K 0 0 83 207,-2.2 -1,-0.1 -2,-0.4 208,-0.1 0.531 360.0 360.0-141.9 360.0 73.2 34.0 15.4 68 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 1 B M 0 0 138 0, 0.0 2,-0.2 0, 0.0 249,-0.0 0.000 360.0 360.0 360.0 147.9 63.5 38.3 22.7 70 2 B K - 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