==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 26-OCT-10 2XVO . COMPND 2 MOLECULE: SSO1725; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR J.REEKS,H.LIU,J.NAISMITH,M.WHITE,S.MCMAHON . 724 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 85 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 2 0 1 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 . 11 0 0 1 3 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 10 13 9 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 ANTIPARALLEL BRIDGES PER LADDER . 3 7 0 4 2 0 2 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 9 A S > 0 0 59 0, 0.0 3,-0.7 0, 0.0 132,-0.2 0.000 360.0 360.0 360.0 -23.6 17.6 14.8 -5.5 2 10 A Q T 3 + 0 0 125 1,-0.2 132,-0.3 130,-0.1 4,-0.1 0.488 360.0 65.1 -78.3 -7.2 20.1 15.2 -2.6 3 11 A Q T 3 S+ 0 0 59 130,-0.1 710,-1.3 2,-0.1 -1,-0.2 0.410 87.0 94.9 -92.9 -2.9 20.0 19.0 -3.3 4 12 A V B < S-A 712 0A 11 -3,-0.7 2,-0.6 708,-0.2 708,-0.2 -0.574 89.3-100.4 -87.8 152.9 16.4 19.1 -2.2 5 13 A E - 0 0 7 706,-1.1 93,-1.3 93,-0.4 2,-0.5 -0.610 37.3-163.0 -66.1 112.0 15.2 20.0 1.3 6 14 A W E -B 97 0B 4 -2,-0.6 131,-3.2 129,-0.5 2,-0.4 -0.930 9.2-161.0 -98.1 136.3 14.3 16.8 3.0 7 15 A V E -Bc 96 137B 0 89,-2.8 89,-2.1 -2,-0.5 2,-0.5 -0.901 17.0-125.5-117.5 142.0 12.2 17.3 6.0 8 16 A F E -B 95 0B 0 129,-2.8 131,-0.4 -2,-0.4 87,-0.2 -0.731 22.8-165.0 -82.7 127.2 11.5 15.1 9.1 9 17 A I E -B 94 0B 0 85,-3.4 85,-2.1 -2,-0.5 56,-0.1 -0.920 12.5-142.7-115.8 103.7 7.8 14.5 9.6 10 18 A P E -B 93 0B 0 0, 0.0 2,-0.7 0, 0.0 83,-0.3 -0.409 8.3-140.4 -61.2 140.9 6.9 13.0 13.1 11 19 A V + 0 0 0 81,-2.4 81,-0.3 168,-0.1 2,-0.3 -0.916 40.3 160.2-104.2 107.7 4.1 10.5 13.1 12 20 A I > - 0 0 0 -2,-0.7 3,-1.2 1,-0.1 143,-0.2 -0.793 42.3 -73.5-131.7 169.1 2.1 11.2 16.2 13 21 A K T 3 S+ 0 0 71 -2,-0.3 141,-0.1 1,-0.2 -1,-0.1 -0.249 110.2 16.2 -64.3 143.5 -1.3 10.7 17.8 14 22 A D T 3 S+ 0 0 82 1,-0.2 2,-0.4 60,-0.0 -1,-0.2 0.663 99.4 106.5 63.6 20.8 -4.3 12.6 16.5 15 23 A V < - 0 0 1 -3,-1.2 2,-0.4 2,-0.0 -1,-0.2 -0.982 61.0-144.0-118.4 140.8 -2.6 13.6 13.2 16 24 A T - 0 0 50 -2,-0.4 17,-2.9 -3,-0.1 2,-0.5 -0.897 8.5-161.7-106.7 133.9 -3.7 11.9 10.0 17 25 A Y E -Gh 32 159C 0 141,-3.2 143,-2.8 -2,-0.4 2,-0.5 -0.967 8.2-173.8-119.4 115.0 -1.1 11.1 7.3 18 26 A E E -Gh 31 160C 52 13,-2.7 13,-2.7 -2,-0.5 2,-0.5 -0.952 6.0-163.7-117.8 116.0 -2.5 10.5 3.8 19 27 A F E -Gh 30 161C 0 141,-2.5 143,-3.0 -2,-0.5 2,-0.5 -0.861 9.1-149.8 -98.5 125.4 -0.2 9.3 1.1 20 28 A K E -Gh 29 162C 78 9,-2.9 8,-2.5 -2,-0.5 9,-1.0 -0.873 15.1-167.9 -96.6 124.8 -1.5 9.6 -2.5 21 29 A V E -Gh 27 163C 4 141,-2.5 143,-1.5 -2,-0.5 6,-0.2 -0.947 6.1-148.8-118.7 129.5 -0.1 7.0 -4.8 22 30 A D > - 0 0 41 4,-3.0 3,-2.0 -2,-0.4 143,-0.1 -0.215 37.3 -87.3 -90.2-177.8 -0.4 7.1 -8.6 23 31 A N T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 140,-0.0 0.683 127.4 56.1 -65.0 -20.0 -0.7 4.4 -11.3 24 32 A N T 3 S- 0 0 121 2,-0.1 -1,-0.3 20,-0.0 3,-0.1 0.255 119.6-109.2 -91.2 9.4 3.1 4.2 -11.5 25 33 A D S < S+ 0 0 63 -3,-2.0 20,-2.9 1,-0.3 2,-0.4 0.795 76.1 135.4 62.7 30.9 3.4 3.5 -7.7 26 34 A N B -K 44 0D 39 18,-0.2 -4,-3.0 19,-0.1 2,-0.6 -0.858 61.5-115.9-105.4 146.1 4.8 7.0 -7.1 27 35 A I E +G 21 0C 4 16,-3.2 16,-0.4 -2,-0.4 -6,-0.2 -0.709 30.9 177.9 -78.7 118.0 3.7 9.2 -4.2 28 36 A T E + 0 0 50 -8,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.706 64.8 0.3 -94.0 -27.9 2.1 12.3 -5.7 29 37 A E E -G 20 0C 59 -9,-1.0 -9,-2.9 9,-0.2 2,-0.4 -0.981 50.8-150.5-156.5 152.7 1.2 14.0 -2.4 30 38 A L E -GI 19 37C 0 7,-2.3 7,-2.0 -2,-0.3 2,-0.5 -1.000 15.8-161.8-120.6 128.9 1.3 13.7 1.3 31 39 A Y E -GI 18 36C 59 -13,-2.7 -13,-2.7 -2,-0.4 2,-0.6 -0.947 1.7-166.8-109.1 124.4 -1.5 15.3 3.3 32 40 A V E > S-GI 17 35C 2 3,-2.3 3,-2.1 -2,-0.5 -15,-0.2 -0.958 81.7 -21.2-112.0 114.6 -0.8 15.9 7.0 33 41 A N T 3 S- 0 0 47 -17,-2.9 -1,-0.2 -2,-0.6 -16,-0.1 0.871 130.1 -52.1 48.7 40.3 -4.0 16.8 8.8 34 42 A G T 3 S+ 0 0 51 -18,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.377 109.4 127.4 81.3 -2.6 -5.4 17.8 5.4 35 43 A N E < -I 32 0C 45 -3,-2.1 -3,-2.3 71,-0.1 -1,-0.2 -0.790 59.6-125.2 -91.1 124.0 -2.5 20.1 4.6 36 44 A K E -I 31 0C 101 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.431 24.6-173.8 -75.3 135.7 -0.9 19.3 1.2 37 45 A L E -I 30 0C 0 -7,-2.0 -7,-2.3 -2,-0.2 -1,-0.0 -0.969 12.2-153.8-129.3 111.4 2.8 18.6 0.9 38 46 A G - 0 0 8 -2,-0.4 61,-2.6 -9,-0.2 62,-0.6 -0.694 17.7-122.1 -85.4 136.7 4.0 18.2 -2.7 39 47 A P B -L 98 0E 22 0, 0.0 59,-0.2 0, 0.0 4,-0.1 -0.595 10.7-155.0 -78.4 137.4 7.1 16.0 -3.4 40 48 A A S S+ 0 0 26 57,-3.3 2,-0.2 -2,-0.3 58,-0.1 0.888 81.4 41.8 -74.0 -42.2 10.0 17.8 -5.1 41 49 A S S S- 0 0 37 56,-0.4 2,-0.2 -40,-0.1 58,-0.1 -0.681 103.4 -93.0-100.8 155.6 11.5 14.6 -6.6 42 50 A S - 0 0 107 -2,-0.2 2,-0.5 -16,-0.0 -14,-0.1 -0.526 52.7-157.0 -61.9 138.0 9.6 11.7 -8.1 43 51 A L - 0 0 8 -16,-0.4 -16,-3.2 -2,-0.2 2,-0.1 -0.962 9.0-134.7-138.6 111.0 9.2 9.5 -5.1 44 52 A E B > -K 26 0D 87 -2,-0.5 3,-1.6 -18,-0.2 4,-0.4 -0.411 14.5-132.2 -71.1 139.1 8.6 5.8 -5.1 45 53 A M G >> S+ 0 0 12 -20,-2.9 4,-2.3 1,-0.3 3,-1.8 0.854 105.1 64.8 -55.2 -36.4 5.9 4.3 -2.8 46 54 A D G 34 S+ 0 0 47 -21,-0.3 -1,-0.3 1,-0.3 -20,-0.1 0.580 81.8 75.9 -75.1 -6.3 8.4 1.7 -1.7 47 55 A F G <4 S+ 0 0 13 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.816 116.8 19.5 -62.5 -31.3 10.6 4.4 -0.1 48 56 A Y T <4 S+ 0 0 1 -3,-1.8 14,-2.4 -4,-0.4 2,-0.4 0.733 131.3 27.1-107.0 -34.9 7.9 4.4 2.6 49 57 A F E < -M 61 0F 1 -4,-2.3 2,-0.7 12,-0.3 -1,-0.3 -0.996 53.3-146.4-141.8 137.5 6.0 1.1 2.3 50 58 A D E -M 60 0F 39 10,-2.8 9,-3.8 -2,-0.4 10,-1.1 -0.892 34.4-164.3 -95.6 109.9 6.5 -2.5 1.2 51 59 A V E -M 58 0F 15 -2,-0.7 2,-1.2 7,-0.3 7,-0.3 -0.849 25.9-141.6-105.9 134.2 3.1 -3.4 -0.2 52 60 A D E >>> -M 57 0F 35 5,-3.8 5,-1.7 -2,-0.4 3,-0.6 -0.804 22.6-169.2 -81.5 95.3 1.8 -6.9 -1.0 53 61 A V G >45S+ 0 0 102 -2,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.855 76.1 65.4 -59.4 -37.2 -0.0 -5.8 -4.1 54 62 A S G 345S+ 0 0 117 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.860 118.6 20.7 -58.2 -41.6 -1.8 -9.1 -4.5 55 63 A N G <45S- 0 0 85 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.129 107.3-116.3-117.7 22.8 -3.8 -8.8 -1.2 56 64 A N T <<5 + 0 0 37 -3,-0.7 114,-3.1 -4,-0.6 2,-0.4 0.817 67.8 136.3 60.7 38.8 -3.6 -5.0 -1.0 57 65 A Q E < -Mn 52 170F 64 -5,-1.7 -5,-3.8 112,-0.2 2,-0.3 -0.949 57.6-122.2-129.4 139.5 -1.6 -5.0 2.3 58 66 A V E -M 51 0F 0 112,-3.0 -7,-0.3 -2,-0.4 3,-0.1 -0.631 20.7-173.0 -74.3 130.4 1.4 -3.2 3.7 59 67 A R E - 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