==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-OCT-09 3KGZ . COMPND 2 MOLECULE: CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,J.DO,R.ROMERO,S.WASSERMAN,J.M . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 65.9 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 . 120 41.4 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.6 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 2 1 1 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 . 6 6 0 4 0 4 2 2 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 . 2 0 0 0 0 0 0 0 0 2 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 18 A S 0 0 80 0, 0.0 237,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.6 23.5 40.1 8.0 2 19 A L E +A 237 0A 64 235,-0.2 2,-0.5 2,-0.0 235,-0.2 -0.998 360.0 177.9-125.8 131.7 24.1 41.3 11.6 3 20 A R E -A 236 0A 49 233,-2.4 233,-2.6 -2,-0.4 2,-0.1 -0.930 27.5-146.2-127.7 104.2 25.6 44.6 12.6 4 21 A A - 0 0 29 -2,-0.5 8,-2.5 231,-0.2 2,-0.2 -0.405 17.5-109.3 -75.9 145.2 25.6 44.6 16.4 5 22 A Q E -K 11 0B 63 227,-0.2 6,-0.3 6,-0.2 230,-0.1 -0.540 33.0-178.5 -63.0 136.1 25.1 47.8 18.5 6 23 A T E - 0 0 96 4,-2.7 5,-0.2 1,-0.5 -1,-0.1 0.630 66.3 -14.9-112.0 -22.4 28.4 48.6 20.1 7 24 A A E > S-K 10 0B 40 3,-1.3 3,-2.2 227,-0.0 -1,-0.5 -0.921 100.9 -53.9-163.2 171.1 27.4 51.7 22.2 8 25 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 63,-0.1 -0.402 129.9 3.2 -57.3 124.5 24.4 54.0 22.1 9 26 A G T 3 S+ 0 0 0 1,-0.2 2,-0.4 -2,-0.2 62,-0.1 0.694 115.3 103.0 72.0 21.0 24.1 55.3 18.5 10 27 A R E < -K 7 0B 74 -3,-2.2 -4,-2.7 6,-0.0 -3,-1.3 -1.000 44.9-176.5-139.5 139.9 27.0 53.1 17.3 11 28 A W E > -K 5 0B 8 3,-0.4 3,-1.9 -2,-0.4 2,-0.2 -0.979 34.3-104.0-136.6 143.1 27.1 49.9 15.4 12 29 A D T 3 S+ 0 0 104 -8,-2.5 3,-0.1 -2,-0.3 -2,-0.0 -0.483 110.7 14.3 -59.3 125.6 29.8 47.5 14.2 13 30 A G T 3 S+ 0 0 68 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.621 102.5 110.2 78.9 15.8 30.3 48.0 10.5 14 31 A V < - 0 0 21 -3,-1.9 -3,-0.4 19,-0.0 2,-0.4 -0.993 58.5-142.8-123.1 126.7 28.5 51.3 10.4 15 32 A A - 0 0 70 -2,-0.5 2,-0.5 19,-0.1 19,-0.4 -0.692 11.3-130.1 -90.1 134.4 30.4 54.6 9.8 16 33 A V - 0 0 57 -2,-0.4 17,-0.2 17,-0.1 -6,-0.0 -0.715 23.7-165.1 -77.4 127.4 29.5 57.8 11.5 17 34 A M E -L 32 0C 73 15,-2.1 15,-1.3 -2,-0.5 -1,-0.0 -0.832 5.6-154.4-119.2 90.8 29.2 60.6 8.8 18 35 A P E -L 31 0C 94 0, 0.0 2,-0.5 0, 0.0 13,-0.3 -0.345 22.4-118.1 -62.9 142.8 29.3 64.1 10.3 19 36 A Y - 0 0 72 11,-2.7 2,-0.3 1,-0.1 11,-0.3 -0.738 39.9-111.4 -71.6 124.3 27.6 66.8 8.2 20 37 A K - 0 0 178 -2,-0.5 2,-0.8 1,-0.1 -1,-0.1 -0.514 30.8-129.0 -70.0 127.0 30.5 69.2 7.5 21 38 A Q - 0 0 87 -2,-0.3 2,-0.1 4,-0.1 -1,-0.1 -0.623 28.3-176.2 -86.1 103.5 29.9 72.4 9.3 22 39 A T - 0 0 79 -2,-0.8 3,-0.5 1,-0.1 5,-0.1 -0.426 39.6-111.8 -88.1 171.0 30.1 75.6 7.2 23 40 A A S S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.883 122.7 40.2 -64.5 -39.7 29.7 79.2 8.6 24 41 A E S S+ 0 0 91 2,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.276 85.2 135.1 -94.3 6.2 26.5 79.5 6.7 25 42 A A - 0 0 12 -3,-0.5 -4,-0.1 1,-0.1 0, 0.0 -0.353 51.9-145.3 -58.1 132.2 25.3 75.9 7.5 26 43 A P S S+ 0 0 39 0, 0.0 32,-0.5 0, 0.0 2,-0.3 0.283 81.7 57.8 -84.0 13.4 21.6 75.8 8.6 27 44 A F S S- 0 0 31 30,-0.2 2,-0.3 -5,-0.1 29,-0.2 -0.836 71.3-145.1-130.2 170.0 22.4 73.0 11.0 28 45 A Q E - M 0 55C 69 27,-2.6 27,-1.5 -2,-0.3 23,-0.1 -0.939 66.0 -18.8-146.5 123.6 24.7 72.5 13.9 29 46 A D E S+ 0 0 69 -2,-0.3 22,-3.2 1,-0.2 2,-0.4 0.916 84.6 149.1 55.1 57.8 26.7 69.5 15.1 30 47 A V E - M 0 50C 10 -11,-0.3 -11,-2.7 20,-0.2 2,-0.3 -0.920 23.8-176.0-121.8 144.5 24.7 66.7 13.4 31 48 A S E -LM 18 49C 9 18,-2.1 18,-2.5 -2,-0.4 2,-0.3 -0.905 8.3-154.5-132.7 163.0 25.8 63.3 12.0 32 49 A R E -LM 17 48C 71 -15,-1.3 -15,-2.1 -2,-0.3 2,-0.4 -0.973 3.0-164.6-137.6 147.3 24.0 60.6 10.1 33 50 A Q E - M 0 47C 0 14,-1.9 14,-2.3 -2,-0.3 2,-0.7 -0.990 21.5-130.2-130.8 142.6 24.5 56.9 9.8 34 51 A L E + M 0 46C 56 -19,-0.4 12,-0.2 -2,-0.4 3,-0.1 -0.832 29.8 170.3 -95.3 112.0 23.0 54.7 7.1 35 52 A L E + 0 0 1 10,-2.0 2,-0.4 -2,-0.7 11,-0.2 0.910 66.2 6.7 -86.9 -47.3 21.4 51.7 8.8 36 53 A F E + M 0 45C 5 9,-2.2 9,-2.4 176,-0.1 -1,-0.3 -0.991 60.2 146.0-143.2 131.1 19.5 50.2 5.9 37 54 A A + 0 0 50 -2,-0.4 7,-0.1 7,-0.2 5,-0.1 -0.916 18.5 156.4-155.2 136.0 19.3 50.9 2.1 38 55 A D > - 0 0 54 3,-0.4 3,-2.0 5,-0.3 5,-0.1 -0.963 52.1-114.7-159.8 147.3 18.8 48.2 -0.5 39 56 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.804 118.9 49.1 -55.6 -30.4 17.5 47.9 -4.0 40 57 A N T 3 S+ 0 0 90 -3,-0.1 2,-0.5 2,-0.0 170,-0.4 0.302 95.3 82.0 -94.2 5.2 14.7 45.8 -2.7 41 58 A L < - 0 0 6 -3,-2.0 -3,-0.4 1,-0.1 148,-0.1 -0.968 66.0-152.9-112.0 125.0 13.7 48.1 0.2 42 59 A A S S+ 0 0 33 -2,-0.5 75,-2.7 146,-0.2 76,-0.4 0.571 76.9 48.4 -73.7 -12.5 11.4 51.0 -0.8 43 60 A C E S- N 0 116C 2 73,-0.3 2,-0.4 74,-0.1 -5,-0.3 -0.811 73.8-130.4-123.6 165.0 12.6 53.2 2.1 44 61 A E E - N 0 115C 41 71,-2.8 71,-1.9 -2,-0.3 2,-0.5 -0.944 17.6-155.0-114.0 138.2 16.0 54.3 3.6 45 62 A W E +MN 36 114C 2 -9,-2.4 -9,-2.2 -2,-0.4 -10,-2.0 -0.973 21.7 169.1-120.9 118.3 16.5 54.0 7.4 46 63 A R E -MN 34 113C 46 67,-2.7 67,-2.8 -2,-0.5 2,-0.4 -0.801 30.0-135.7-122.9 164.5 19.1 56.3 9.0 47 64 A Y E -MN 33 112C 0 -14,-2.3 -14,-1.9 -2,-0.3 2,-0.4 -0.998 19.8-164.0-122.2 125.8 20.2 57.4 12.4 48 65 A F E -MN 32 111C 32 63,-3.0 63,-3.0 -2,-0.4 2,-0.4 -0.896 0.8-164.4-111.6 134.2 20.7 61.1 13.0 49 66 A E E -MN 31 110C 6 -18,-2.5 -18,-2.1 -2,-0.4 2,-0.6 -0.990 3.5-166.3-124.9 125.0 22.7 62.3 16.0 50 67 A V E -MN 30 109C 0 59,-3.1 59,-2.4 -2,-0.4 -20,-0.2 -0.932 23.3-131.9-109.0 116.7 22.6 65.9 17.1 51 68 A D E > - 0 0 75 -22,-3.2 3,-2.7 -2,-0.6 52,-0.3 -0.308 47.8 -68.1 -64.2 157.7 25.3 66.8 19.6 52 69 A E E 3 S+ 0 0 113 1,-0.3 56,-0.2 54,-0.1 -1,-0.2 -0.218 126.0 15.1 -45.2 126.9 24.2 68.6 22.8 53 70 A G E 3 S+ 0 0 29 50,-3.0 -1,-0.3 54,-0.5 51,-0.1 0.309 105.0 113.7 85.6 -4.5 23.2 72.2 21.8 54 71 A G E < - 0 0 0 -3,-2.7 49,-2.2 -25,-0.2 2,-0.3 -0.184 46.7-157.7 -87.7-176.0 22.9 71.4 18.0 55 72 A Y E -MO 28 102C 29 -27,-1.5 -27,-2.6 47,-0.2 47,-0.2 -0.982 17.5-118.8-158.3 154.7 20.0 71.3 15.7 56 73 A S - 0 0 20 45,-2.3 88,-0.2 -2,-0.3 2,-0.2 -0.428 55.0 -77.5 -85.2 171.4 18.9 69.8 12.4 57 74 A T - 0 0 25 -2,-0.1 2,-0.5 43,-0.1 -30,-0.2 -0.449 39.0-120.2 -79.7 136.9 18.0 72.1 9.5 58 75 A L + 0 0 4 -32,-0.5 2,-0.3 86,-0.5 42,-0.2 -0.692 61.7 129.5 -69.1 120.9 14.6 73.8 9.5 59 76 A E B -P 99 0C 34 40,-1.6 40,-1.7 -2,-0.5 2,-0.3 -0.952 41.4-148.0-160.9 172.5 13.0 72.6 6.3 60 77 A R B +V 123 0D 64 63,-1.7 63,-3.3 -2,-0.3 2,-0.3 -0.959 15.8 165.4-152.0 166.3 10.0 71.1 4.6 61 78 A H - 0 0 3 -2,-0.3 35,-2.8 61,-0.2 36,-0.5 -0.939 48.3-104.1-171.3 157.5 9.3 68.8 1.6 62 79 A A S S+ 0 0 48 -2,-0.3 -1,-0.1 33,-0.3 59,-0.0 0.853 94.4 90.6 -62.0 -35.1 6.4 66.7 0.3 63 80 A H S S- 0 0 19 32,-0.1 33,-0.2 57,-0.1 -2,-0.2 -0.305 76.2-128.2 -69.0 144.9 8.0 63.5 1.5 64 81 A V - 0 0 1 122,-0.4 2,-0.4 31,-0.1 52,-0.4 -0.484 11.7-139.0 -90.8 161.0 7.0 62.3 5.0 65 82 A H E -Q 93 0C 20 28,-1.6 28,-2.5 -2,-0.1 2,-0.6 -0.989 6.3-162.1-119.0 133.7 9.2 61.3 8.0 66 83 A A E -QR 92 114C 0 48,-2.0 48,-2.7 -2,-0.4 2,-0.4 -0.973 25.2-176.4-108.2 116.9 8.8 58.5 10.4 67 84 A V E -QR 91 113C 1 24,-2.8 24,-3.0 -2,-0.6 2,-0.4 -0.951 18.9-176.0-122.0 136.2 11.0 59.2 13.4 68 85 A M E -QR 90 112C 3 44,-1.8 44,-3.1 -2,-0.4 2,-0.2 -0.995 31.0-123.6-128.2 122.0 11.7 57.2 16.6 69 86 A I E + R 0 111C 2 20,-2.5 19,-2.9 -2,-0.4 42,-0.3 -0.487 33.4 172.7 -65.4 130.8 13.9 58.7 19.2 70 87 A H E + 0 0 29 40,-2.7 2,-0.3 1,-0.3 41,-0.2 0.711 57.7 19.8-110.3 -33.3 16.8 56.5 19.9 71 88 A R E S- R 0 110C 76 39,-2.1 39,-2.5 -63,-0.1 -1,-0.3 -0.999 105.3 -20.0-146.1 144.2 19.2 58.3 22.3 72 89 A G E S- R 0 109C 17 -2,-0.3 15,-0.7 37,-0.2 2,-0.3 -0.150 74.5 -90.7 62.0-151.6 19.0 61.2 24.7 73 90 A H E +S 86 0C 75 35,-1.3 32,-0.4 13,-0.2 34,-0.4 -0.962 48.1 132.3-162.8 167.2 16.2 63.9 24.6 74 91 A G E -S 85 0C 2 11,-2.1 11,-2.2 -2,-0.3 2,-0.3 -0.883 45.4 -74.4 176.1-152.7 15.4 67.3 23.1 75 92 A Q E -ST 84 102C 24 27,-2.5 27,-3.1 -2,-0.3 2,-0.4 -0.979 28.0-158.2-141.5 154.9 12.6 69.1 21.3 76 93 A C E -ST 83 101C 2 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.987 12.1-144.6-133.1 152.0 11.1 69.2 17.9 77 94 A L E +ST 82 100C 0 23,-2.9 23,-1.5 -2,-0.4 2,-0.4 -0.949 20.8 175.0-103.8 123.9 9.0 71.6 15.9 78 95 A V E > -ST 81 99C 17 3,-2.5 3,-2.0 -2,-0.5 2,-0.8 -0.943 67.6 -49.3-129.3 109.3 6.5 70.0 13.7 79 96 A G T 3 S- 0 0 22 19,-3.0 14,-0.0 -2,-0.4 19,-0.0 -0.557 124.2 -22.0 68.7-105.0 4.3 72.5 11.9 80 97 A E T 3 S+ 0 0 160 -2,-0.8 2,-0.5 -3,-0.0 -1,-0.3 0.234 118.6 96.6-117.0 8.1 3.1 74.8 14.8 81 98 A T E < -S 78 0C 87 -3,-2.0 -3,-2.5 58,-0.0 2,-0.6 -0.875 52.9-163.1-110.9 125.3 3.7 72.3 17.6 82 99 A I E -S 77 0C 56 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.936 21.9-177.6-104.6 122.9 6.8 72.2 19.8 83 100 A S E -S 76 0C 24 -7,-2.5 -7,-2.2 -2,-0.6 2,-0.4 -0.914 30.4-121.3-122.4 149.5 7.1 69.0 21.7 84 101 A D E -S 75 0C 106 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.713 34.9-164.2 -75.3 137.0 9.4 67.4 24.2 85 102 A V E +S 74 0C 3 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.3 -0.976 12.8 168.9-132.6 142.1 10.9 64.1 22.8 86 103 A A E > -S 73 0C 42 -2,-0.4 3,-2.3 -13,-0.2 -17,-0.3 -0.877 48.5 -43.1-142.9 171.8 12.7 61.3 24.6 87 104 A Q T 3 S+ 0 0 115 -15,-0.7 -17,-0.2 -2,-0.3 64,-0.2 -0.056 123.7 8.8 -47.4 122.1 13.9 57.7 24.0 88 105 A G T 3 S+ 0 0 1 -19,-2.9 -1,-0.3 1,-0.3 -18,-0.1 0.166 87.4 142.5 93.8 -15.2 11.4 55.7 22.1 89 106 A D < - 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