==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAY-10 3NA2 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRILLUM RUBARUM; . AUTHOR Y.KIM,X.XU,H.CUI,S.CHIN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,M . 537 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 31.5 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 . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 57 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 1 3 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 5 14 3 1 3 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 6 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 3 A P > 0 0 129 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -95.3 5.4 48.6 8.8 2 4 A G H > + 0 0 47 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.734 360.0 60.0 -75.8 -27.3 8.5 50.8 8.6 3 5 A V H >> S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.976 99.6 52.8 -58.6 -55.8 7.4 51.7 12.1 4 6 A T H 3> S+ 0 0 20 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.841 106.8 54.7 -48.8 -38.5 7.8 48.0 13.1 5 7 A D H 3X S+ 0 0 67 -4,-0.9 4,-2.1 2,-0.2 -1,-0.3 0.888 108.7 47.0 -63.4 -40.0 11.3 48.2 11.7 6 8 A R H < S+ 0 0 3 -4,-2.7 3,-1.0 -5,-0.2 -2,-0.2 0.920 108.1 52.9 -61.0 -41.9 20.5 46.1 23.8 16 18 A R H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 96.4 65.2 -72.1 -21.0 23.8 46.7 22.0 17 19 A T H 3< S- 0 0 59 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.831 93.8-148.1 -65.2 -30.5 24.8 49.7 24.3 18 20 A G S << S+ 0 0 24 -3,-1.0 17,-0.3 -4,-0.8 18,-0.1 0.512 70.5 103.8 75.7 5.5 24.9 47.0 27.0 19 21 A X + 0 0 27 -5,-0.5 80,-2.0 17,-0.1 2,-0.3 0.185 61.4 92.3-104.1 21.5 23.7 49.5 29.6 20 22 A C E -A 98 0A 3 -6,-0.3 2,-0.6 15,-0.3 15,-0.5 -0.805 60.2-146.2-120.0 153.1 20.1 48.3 29.9 21 23 A L E -A 97 0A 18 76,-3.1 76,-3.0 -2,-0.3 2,-0.4 -0.969 20.7-157.4-111.2 116.6 18.1 46.0 31.9 22 24 A F E -AB 96 33A 3 11,-2.4 11,-3.5 -2,-0.6 2,-0.4 -0.771 11.9-169.5 -92.1 138.1 15.3 44.4 29.8 23 25 A S E -AB 95 32A 10 72,-2.5 72,-1.5 -2,-0.4 2,-0.4 -0.990 14.5-166.4-133.1 140.1 12.3 43.1 31.8 24 26 A V E - B 0 31A 57 7,-2.1 7,-2.7 -2,-0.4 2,-0.5 -0.988 16.6-154.7-122.3 134.2 9.4 40.9 30.8 25 27 A R E - B 0 30A 145 -2,-0.4 5,-0.2 67,-0.2 -2,-0.0 -0.925 12.9-175.6-125.6 116.0 6.4 40.7 33.1 26 28 A S E > - B 0 29A 70 3,-2.1 3,-0.6 -2,-0.5 -2,-0.0 -0.434 54.3 -85.2 -89.7 175.1 3.8 38.0 33.6 27 29 A P T 3 S+ 0 0 149 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.535 126.4 9.9 -59.8 -5.7 0.8 38.3 36.0 28 30 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.241 124.1 54.2-160.7 15.5 3.1 37.1 38.8 29 31 A G E < -B 26 0A 29 -3,-0.6 -3,-2.1 2,-0.0 2,-0.3 -0.979 51.7-162.1-148.6 158.8 6.6 37.0 37.6 30 32 A V E -B 25 0A 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.980 7.1-155.1-143.9 135.4 9.2 39.2 36.0 31 33 A A E -B 24 0A 53 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.4 -0.895 8.7-158.1-106.2 142.6 12.4 38.3 34.2 32 34 A E E -B 23 0A 110 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.987 7.9-160.8-127.3 125.8 15.3 40.7 34.0 33 35 A L E -B 22 0A 20 -11,-3.5 -11,-2.4 -2,-0.4 2,-0.3 -0.894 7.1-172.9-120.5 133.0 17.8 40.4 31.3 34 36 A Y + 0 0 88 -2,-0.4 2,-0.2 -13,-0.2 -13,-0.1 -0.865 32.1 70.6-124.1 156.4 21.3 41.9 31.2 35 37 A G - 0 0 20 -15,-0.5 -17,-0.3 -2,-0.3 -15,-0.3 -0.464 49.9-133.3 125.4 167.1 24.1 42.1 28.6 36 38 A G S S+ 0 0 13 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.134 79.7 71.1-144.4 19.0 25.0 43.9 25.4 37 39 A E - 0 0 139 -19,-0.1 2,-0.3 -20,-0.0 -1,-0.2 -0.973 60.6-163.1-137.6 122.9 26.4 41.2 23.1 38 40 A A - 0 0 29 -2,-0.4 278,-0.3 1,-0.1 14,-0.2 -0.716 20.9-151.3-101.3 156.3 24.2 38.6 21.5 39 41 A R S S+ 0 0 160 12,-2.6 277,-0.4 1,-0.3 2,-0.3 0.693 90.1 18.0 -87.6 -25.4 25.2 35.3 19.9 40 42 A K E -F 51 0B 38 11,-1.5 11,-2.7 275,-0.2 2,-0.4 -0.956 60.3-175.5-152.9 126.3 22.2 35.5 17.7 41 43 A V E -FG 50 314B 6 273,-3.0 273,-2.8 -2,-0.3 2,-0.4 -0.964 14.5-177.4-120.2 143.4 19.7 38.1 16.6 42 44 A E E -FG 49 313B 37 7,-2.5 7,-2.5 -2,-0.4 2,-0.4 -0.994 16.3-169.1-147.8 131.4 16.7 37.4 14.4 43 45 A I E +FG 48 312B 33 269,-3.0 269,-2.5 -2,-0.4 2,-0.4 -0.989 9.2 175.5-122.6 125.9 13.9 39.3 12.8 44 46 A T E > -FG 47 311B 65 3,-2.4 3,-2.3 -2,-0.4 2,-0.3 -0.931 65.3 -62.0-134.0 102.9 10.9 37.4 11.3 45 47 A G T 3 S- 0 0 48 265,-0.5 264,-0.1 -2,-0.4 267,-0.0 -0.391 124.8 -11.8 49.7-113.7 8.2 39.7 10.0 46 48 A T T 3 S+ 0 0 59 -2,-0.3 15,-1.6 -3,-0.1 16,-0.6 0.144 117.8 98.2-101.2 19.4 7.1 41.5 13.2 47 49 A S E < -FH 44 60B 42 -3,-2.3 -3,-2.4 13,-0.2 2,-0.4 -0.878 51.7-166.0-107.8 139.0 9.0 39.2 15.6 48 50 A L E -FH 43 59B 5 11,-1.8 11,-2.3 -2,-0.4 2,-0.4 -0.956 3.8-168.6-120.6 142.3 12.4 40.1 17.1 49 51 A T E -FH 42 58B 13 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.997 6.7-175.0-133.7 131.5 14.6 37.5 18.8 50 52 A I E -FH 41 57B 2 7,-2.6 7,-3.0 -2,-0.4 2,-0.5 -0.989 9.8-170.1-125.2 122.6 17.7 38.2 20.9 51 53 A E E +FH 40 56B 43 -11,-2.7 -12,-2.6 -2,-0.4 -11,-1.5 -0.946 10.1 174.8-118.2 124.4 19.7 35.2 22.2 52 54 A R E > - H 0 55B 85 3,-3.4 3,-0.6 -2,-0.5 -14,-0.1 -0.650 53.8 -87.9-106.8 177.2 22.6 35.2 24.7 53 55 A E T 3 S+ 0 0 165 -2,-0.2 3,-0.1 1,-0.2 -15,-0.0 0.864 123.9 20.2 -55.8 -40.6 24.2 32.1 26.0 54 56 A D T 3 S+ 0 0 138 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.253 124.4 42.4-122.1 20.4 21.8 31.6 28.9 55 57 A W E < -H 52 0B 33 -3,-0.6 -3,-3.4 2,-0.0 2,-0.4 -0.947 53.4-163.3-158.5 145.9 18.7 33.7 27.9 56 58 A H E -H 51 0B 99 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.961 7.4-158.8-121.7 142.3 16.5 34.4 24.9 57 59 A L E -H 50 0B 12 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.4 -0.983 6.7-173.2-119.3 133.3 14.1 37.3 24.4 58 60 A H E -H 49 0B 118 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.992 3.6-173.3-121.8 132.9 11.3 37.2 21.9 59 61 A C E -H 48 0B 11 -11,-2.3 -11,-1.8 -2,-0.4 2,-1.6 -0.976 21.7-146.7-132.1 122.8 9.1 40.2 21.2 60 62 A K E > -H 47 0B 140 -2,-0.4 3,-2.8 -13,-0.2 4,-0.2 -0.656 17.5-168.8 -84.8 83.7 6.0 40.4 19.1 61 63 A L G > S+ 0 0 7 -15,-1.6 3,-1.8 -2,-1.6 -1,-0.2 0.710 77.4 71.9 -46.0 -29.6 6.5 43.9 17.8 62 64 A E G 3 S+ 0 0 131 -16,-0.6 -1,-0.3 1,-0.3 -15,-0.1 0.738 90.9 59.2 -62.0 -22.6 2.9 44.0 16.4 63 65 A T G < S+ 0 0 45 -3,-2.8 2,-0.8 24,-0.1 -1,-0.3 0.508 79.4 106.3 -86.0 -4.0 1.5 44.2 19.9 64 66 A V < + 0 0 7 -3,-1.8 23,-0.2 -4,-0.2 3,-0.1 -0.684 34.1 161.3 -82.0 111.8 3.4 47.4 20.6 65 67 A E + 0 0 90 21,-2.8 2,-0.3 -2,-0.8 22,-0.2 0.811 65.9 10.6 -95.6 -41.2 0.9 50.3 20.5 66 68 A T E -C 86 0A 29 20,-1.9 20,-3.1 2,-0.0 2,-0.6 -0.997 58.4-148.7-142.6 145.9 2.8 53.0 22.4 67 69 A V E -Cd 85 126A 0 58,-1.3 60,-2.7 -2,-0.3 2,-0.5 -0.955 17.6-153.9-116.4 114.1 6.4 53.5 23.5 68 70 A V E -Cd 84 127A 25 16,-3.3 16,-2.6 -2,-0.6 2,-0.7 -0.748 3.2-158.1 -91.1 123.4 6.8 55.5 26.7 69 71 A F E -Cd 83 128A 0 58,-2.5 60,-1.9 -2,-0.5 2,-0.6 -0.895 17.8-170.6 -96.2 118.4 10.0 57.4 27.3 70 72 A D E +Cd 82 129A 35 12,-3.1 12,-2.6 -2,-0.7 2,-0.4 -0.942 20.4 161.0-119.7 116.0 10.3 58.0 31.0 71 73 A L E +Cd 81 130A 0 58,-1.2 60,-2.1 -2,-0.6 10,-0.2 -0.975 31.6 120.6-127.9 117.5 12.9 60.2 32.6 72 74 A S E -C 80 0A 23 8,-1.8 8,-3.7 -2,-0.4 2,-0.2 -0.982 61.8 -82.1-171.6 156.6 11.9 61.3 36.1 73 75 A P E -C 79 0A 61 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.500 38.0-134.4 -74.4 139.5 13.0 61.2 39.7 74 76 A K > - 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0 0 37 4,-2.6 3,-2.5 -2,-0.3 -23,-0.1 -0.215 49.8 -75.8 -88.0-173.9 0.0 47.2 24.1 88 90 A K T 3 S+ 0 0 152 1,-0.3 -24,-0.1 -25,-0.2 -1,-0.0 0.695 133.8 49.0 -58.3 -20.7 -3.5 48.5 23.4 89 91 A H T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.288 119.2-107.3-101.8 9.7 -4.5 48.0 27.0 90 92 A Q S < S+ 0 0 104 -3,-2.5 -2,-0.1 1,-0.3 3,-0.0 0.537 70.4 150.1 72.2 6.1 -1.4 49.8 28.4 91 93 A A - 0 0 39 1,-0.1 -4,-2.6 -5,-0.0 2,-0.4 -0.543 53.1-118.1 -63.1 130.8 -0.1 46.4 29.5 92 94 A P E + E 0 86A 45 0, 0.0 -6,-0.3 0, 0.0 -67,-0.2 -0.611 32.8 179.6 -71.3 127.5 3.7 46.6 29.4 93 95 A V E S- 0 0 38 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.669 71.6 -3.2 -99.2 -22.9 5.0 44.0 26.9 94 96 A L E - E 0 85A 4 -9,-1.3 -9,-2.0 -70,-0.1 -1,-0.4 -0.968 62.3-157.5-161.2 151.5 8.6 44.9 27.5 95 97 A R E -AE 23 84A 66 -72,-1.5 -72,-2.5 -2,-0.3 2,-0.6 -0.995 2.4-163.1-138.1 133.5 10.7 47.4 29.5 96 98 A A E -AE 22 83A 0 -13,-2.9 -13,-2.9 -2,-0.4 2,-0.4 -0.949 13.3-170.1-113.5 111.3 14.2 48.7 29.0 97 99 A A E -AE 21 82A 24 -76,-3.0 -76,-3.1 -2,-0.6 2,-0.3 -0.838 15.1-138.2 -99.3 135.9 15.6 50.3 32.1 98 100 A W E -A 20 0A 8 -17,-3.2 -17,-0.4 -2,-0.4 -78,-0.2 -0.726 15.6-151.3 -92.3 143.5 18.9 52.3 31.8 99 101 A L > - 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