==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-MAR-04 1SPW . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR T.M.PAIS,P.LAMOSA,W.DOS SANTOS,J.LEGALL,D.L.TURNER,H.SANTOS . 39 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 10 25.6 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 . 4 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.6 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 . 0 0.0 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 . 4 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.6 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+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 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 195 0, 0.0 37,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.1 2.1 0.0 -1.2 2 2 A D + 0 0 81 1,-0.1 2,-0.3 14,-0.0 0, 0.0 0.144 360.0 108.6 164.8 56.6 5.0 2.2 -0.2 3 3 A I - 0 0 41 11,-0.2 2,-0.4 2,-0.1 11,-0.2 -0.996 43.0-161.0-149.0 143.0 3.8 5.4 1.5 4 4 A Y + 0 0 111 9,-2.4 2,-0.6 -2,-0.3 34,-0.2 -0.701 19.2 174.7-125.9 78.8 3.8 6.8 5.0 5 5 A V B -A 37 0A 19 32,-0.6 32,-0.8 -2,-0.4 7,-0.2 -0.787 35.5-117.8 -90.8 118.6 1.2 9.6 5.2 6 6 A C - 0 0 2 -2,-0.6 30,-0.2 5,-0.4 -1,-0.1 -0.147 12.9-148.4 -50.9 146.6 0.9 10.8 8.7 7 7 A T S S+ 0 0 85 28,-0.3 -1,-0.1 3,-0.1 29,-0.1 0.071 90.8 54.9-106.6 20.6 -2.6 10.3 10.1 8 8 A V S S+ 0 0 89 23,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.717 130.4 4.7-115.3 -51.9 -2.4 13.5 12.3 9 9 A C S S- 0 0 63 2,-0.0 -2,-0.1 0, 0.0 -4,-0.0 0.587 98.8-116.6-108.5 -21.5 -1.6 16.3 9.9 10 10 A G + 0 0 43 1,-0.1 -3,-0.1 0, 0.0 -5,-0.0 0.689 49.7 176.8 89.4 23.5 -1.7 14.1 6.8 11 11 A Y - 0 0 94 -6,-0.1 2,-0.4 1,-0.1 -5,-0.4 -0.067 23.7-127.9 -54.1 162.6 1.9 14.6 6.0 12 12 A E + 0 0 152 -7,-0.2 2,-0.3 -9,-0.0 -7,-0.2 -0.978 33.7 161.5-124.9 127.1 3.4 12.8 3.0 13 13 A Y - 0 0 53 -2,-0.4 -9,-2.4 -9,-0.0 0, 0.0 -0.984 24.8-141.3-141.1 150.2 6.5 10.6 3.1 14 14 A D - 0 0 82 -2,-0.3 2,-2.0 -11,-0.2 -11,-0.2 -0.927 19.9-126.4-118.4 139.9 7.9 7.9 0.8 15 15 A P S S+ 0 0 42 0, 0.0 -12,-0.0 0, 0.0 -2,-0.0 -0.523 76.1 109.7 -79.8 70.4 9.7 4.8 1.9 16 16 A A + 0 0 86 -2,-2.0 2,-0.1 0, 0.0 -2,-0.0 -0.165 48.4 110.1-138.6 38.6 12.8 5.3 -0.1 17 17 A F - 0 0 93 1,-0.1 3,-0.1 -3,-0.0 0, 0.0 -0.297 49.4-157.9-102.9-171.3 15.4 6.1 2.5 18 18 A E S S+ 0 0 184 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.528 80.9 51.7-135.4 -45.3 18.4 4.3 3.9 19 19 A D + 0 0 136 1,-0.0 -1,-0.2 2,-0.0 0, 0.0 -0.840 60.0 164.4-105.8 95.6 19.1 5.6 7.4 20 20 A L - 0 0 60 -2,-0.8 4,-0.1 -3,-0.1 -1,-0.0 -0.794 23.8-155.0-115.9 86.9 15.9 5.5 9.3 21 21 A P - 0 0 71 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.161 29.4-102.2 -47.2 174.9 16.8 5.9 13.0 22 22 A D S S+ 0 0 166 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.463 107.9 52.7-105.0 57.4 14.5 4.5 15.7 23 23 A D + 0 0 134 -2,-0.5 2,-0.5 10,-0.0 -1,-0.2 -0.093 62.6 161.1 173.5 71.6 12.9 7.8 16.7 24 24 A W - 0 0 75 -3,-0.2 9,-1.3 -4,-0.1 2,-0.4 -0.908 15.4-168.6-108.2 130.7 11.4 9.8 13.8 25 25 A A B -B 32 0B 44 -2,-0.5 7,-0.2 7,-0.2 6,-0.2 -0.951 34.8 -94.0-121.4 139.5 8.9 12.5 14.6 26 26 A C - 0 0 5 5,-2.5 4,-0.2 -2,-0.4 7,-0.0 -0.180 26.8-138.1 -50.1 135.3 6.7 14.4 12.1 27 27 A P S S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.113 98.5 34.4 -83.3 19.6 8.4 17.6 11.1 28 28 A V S S+ 0 0 94 3,-0.1 -2,-0.0 -17,-0.0 -3,-0.0 0.465 129.1 23.0-133.5 -73.1 5.0 19.3 11.3 29 29 A C S S- 0 0 54 1,-0.1 3,-0.1 2,-0.1 -4,-0.0 0.827 90.2-139.8 -70.6 -32.6 2.7 18.0 14.1 30 30 A G + 0 0 45 1,-0.3 3,-0.1 -4,-0.2 -1,-0.1 0.226 52.7 142.7 90.3 -12.8 5.8 16.7 15.9 31 31 A A - 0 0 34 -6,-0.2 -5,-2.5 1,-0.1 -1,-0.3 -0.088 59.3 -88.8 -56.1 160.2 3.9 13.6 16.8 32 32 A S B > -B 25 0B 62 -7,-0.2 2,-1.0 1,-0.1 3,-0.9 -0.185 36.8-105.0 -68.4 165.1 5.8 10.3 16.8 33 33 A K T 3 S+ 0 0 106 -9,-1.3 -1,-0.1 1,-0.2 -8,-0.1 -0.246 102.0 91.0 -86.5 46.2 6.1 8.2 13.8 34 34 A D T 3 S+ 0 0 111 -2,-1.0 -1,-0.2 1,-0.0 -9,-0.0 0.681 76.7 56.4-108.2 -31.8 3.6 5.8 15.2 35 35 A A S < S+ 0 0 27 -3,-0.9 -28,-0.3 2,-0.0 2,-0.3 0.478 87.8 108.6 -78.8 -2.7 0.5 7.3 13.8 36 36 A F + 0 0 15 -30,-0.2 2,-0.3 -4,-0.1 -30,-0.2 -0.593 41.1 146.6 -79.6 135.0 2.1 6.8 10.4 37 37 A E B -A 5 0A 135 -32,-0.8 -32,-0.6 -2,-0.3 -3,-0.0 -0.965 54.9 -66.8-165.5 151.0 0.7 4.1 8.2 38 38 A K 0 0 141 -2,-0.3 -34,-0.2 -34,-0.2 0, 0.0 -0.031 360.0 360.0 -40.0 139.2 0.1 3.3 4.5 39 39 A Q 0 0 160 -36,-0.1 -1,-0.1 -3,-0.0 -35,-0.1 0.147 360.0 360.0-157.8 360.0 -2.5 5.7 3.1