==== 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 UNKNOWN FUNCTION 05-APR-07 2PFW . COMPND 2 MOLECULE: CUPIN 2, CONSERVED BARREL DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 223 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 78.9 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 . 115 51.6 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 32 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 3 1 6 2 0 2 4 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 2 0 0 1 1 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 X 0 0 150 0, 0.0 2,-2.7 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 26.9 68.1 34.5 26.8 2 2 A Q - 0 0 173 28,-0.1 29,-0.5 29,-0.0 2,-0.3 -0.349 360.0 -3.3 76.5 -62.5 65.0 33.5 28.8 3 3 A Q B S-A 30 0A 78 -2,-2.7 27,-0.2 27,-0.2 2,-0.2 -0.971 72.6-109.5-153.6 171.9 63.1 36.6 27.7 4 4 A S - 0 0 11 25,-2.4 4,-0.1 -2,-0.3 191,-0.0 -0.538 45.1 -80.4 -96.1 164.6 63.4 39.8 25.6 5 5 A E - 0 0 145 -2,-0.2 24,-0.2 2,-0.1 -1,-0.2 -0.131 45.0-114.5 -43.4 155.8 63.5 43.5 26.5 6 6 A H S S+ 0 0 42 188,-0.1 189,-2.4 1,-0.1 2,-0.4 0.705 100.3 45.0 -74.9 -18.7 60.1 44.9 27.3 7 7 A F E -H 194 0B 14 187,-0.3 2,-0.4 2,-0.0 187,-0.2 -0.966 64.3-172.7-127.1 139.9 60.4 47.2 24.2 8 8 A S E -H 193 0B 18 185,-3.5 185,-3.4 -2,-0.4 2,-0.5 -0.993 10.9-154.1-135.1 134.2 61.6 46.5 20.7 9 9 A F >> - 0 0 57 -2,-0.4 3,-2.5 183,-0.2 4,-2.0 -0.927 15.3-142.0-103.1 119.9 62.2 49.0 17.8 10 10 A G T 34 S+ 0 0 14 -2,-0.5 -1,-0.1 1,-0.3 182,-0.1 0.736 99.4 58.9 -51.0 -28.8 61.9 47.5 14.3 11 11 A E T 34 S+ 0 0 180 1,-0.1 -1,-0.3 3,-0.0 181,-0.0 0.565 113.7 33.6 -85.2 -8.7 64.8 49.7 13.2 12 12 A Q T <4 S+ 0 0 149 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.776 89.2 94.4-111.4 -40.0 67.4 48.3 15.7 13 13 A T S < S- 0 0 46 -4,-2.0 -5,-0.0 1,-0.1 14,-0.0 -0.282 86.4-104.5 -58.8 132.0 66.6 44.6 16.2 14 14 A E - 0 0 154 1,-0.1 2,-0.6 11,-0.0 12,-0.4 -0.255 22.5-139.6 -59.7 138.7 68.7 42.5 13.9 15 15 A I - 0 0 71 10,-0.1 2,-0.5 -3,-0.1 10,-0.2 -0.921 25.6-147.4 -95.9 119.3 67.0 41.0 10.9 16 16 A E E -B 24 0A 82 8,-2.9 8,-2.6 -2,-0.6 2,-0.8 -0.782 8.4-136.7-102.7 122.1 68.4 37.5 10.6 17 17 A D E +B 23 0A 124 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.671 26.3 173.4 -73.3 110.8 68.9 35.7 7.3 18 18 A I - 0 0 62 4,-1.5 5,-0.1 -2,-0.8 -1,-0.1 0.113 42.4-118.5-108.3 19.5 67.7 32.1 8.0 19 19 A G S > S+ 0 0 37 3,-0.4 3,-1.0 1,-0.1 -1,-0.3 0.162 85.7 86.2 68.2 171.6 68.0 30.9 4.4 20 20 A G T 3 S- 0 0 58 1,-0.2 25,-0.8 -3,-0.1 3,-0.1 0.663 124.3 -65.5 75.1 16.8 65.3 29.6 2.1 21 21 A G T 3 S+ 0 0 21 1,-0.3 20,-2.5 23,-0.1 2,-0.3 0.614 108.6 127.3 80.1 12.8 64.4 33.2 1.0 22 22 A L E < - C 0 40A 22 -3,-1.0 -4,-1.5 18,-0.2 -3,-0.4 -0.820 40.5-171.1-108.9 140.7 63.3 33.9 4.6 23 23 A K E -BC 17 39A 80 16,-1.5 16,-2.5 -2,-0.3 2,-0.4 -0.993 12.3-158.9-128.5 138.3 64.4 36.7 7.0 24 24 A R E -BC 16 38A 23 -8,-2.6 -8,-2.9 -2,-0.4 2,-0.4 -0.954 10.8-174.0-127.6 136.6 63.3 36.7 10.7 25 25 A Q E - C 0 37A 4 12,-2.8 12,-3.0 -2,-0.4 2,-0.3 -0.992 25.3-127.4-128.4 127.9 63.1 39.4 13.3 26 26 A X E + C 0 36A 32 -12,-0.4 10,-0.2 -2,-0.4 3,-0.1 -0.580 23.6 178.4 -66.4 126.4 62.3 38.8 17.0 27 27 A L E - 0 0 3 8,-3.2 2,-0.2 1,-0.3 9,-0.2 0.696 64.7 -46.5 -97.6 -32.1 59.4 41.0 18.2 28 28 A G E + C 0 35A 0 7,-1.4 7,-2.4 141,-0.1 -1,-0.3 -0.700 62.0 174.9 166.0 146.9 59.3 39.7 21.8 29 29 A F E + C 0 34A 6 5,-0.2 -25,-2.4 -24,-0.2 2,-0.3 -0.994 14.8 174.9-157.0 154.3 59.5 36.5 23.8 30 30 A N E > -AC 3 33A 1 3,-2.5 3,-1.1 -2,-0.3 -27,-0.2 -0.864 61.6 -71.0-138.6-173.8 59.6 34.5 27.0 31 31 A H T 3 S+ 0 0 123 -29,-0.5 75,-2.1 -2,-0.3 3,-0.1 0.731 130.8 29.6 -44.7 -29.7 59.5 30.8 27.9 32 32 A E T 3 S+ 0 0 50 73,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.504 120.8 40.1-120.8 -1.1 55.8 30.6 27.1 33 33 A L E < +C 30 0A 0 -3,-1.1 -3,-2.5 71,-0.2 2,-0.3 -0.996 56.7 170.3-150.2 141.2 55.1 33.2 24.4 34 34 A X E -CD 29 103A 0 69,-1.2 69,-2.3 -2,-0.3 2,-0.4 -0.947 10.2-171.5-159.4 132.4 57.0 34.4 21.3 35 35 A A E +CD 28 102A 3 -7,-2.4 -8,-3.2 -2,-0.3 -7,-1.4 -0.992 11.2 177.1-129.3 129.4 56.4 36.6 18.3 36 36 A V E -CD 26 101A 0 65,-2.8 65,-1.6 -2,-0.4 2,-0.5 -0.865 25.9-128.6-126.5 164.2 58.6 37.0 15.2 37 37 A K E -CD 25 100A 24 -12,-3.0 -12,-2.8 -2,-0.3 2,-0.5 -0.975 23.8-166.6-112.0 122.5 58.5 38.9 11.9 38 38 A I E -CD 24 99A 8 61,-2.3 61,-2.3 -2,-0.5 2,-0.6 -0.959 7.2-157.1-116.4 119.9 59.2 36.9 8.8 39 39 A W E -CD 23 98A 51 -16,-2.5 -16,-1.5 -2,-0.5 2,-0.6 -0.863 12.4-152.6 -93.8 122.9 60.0 38.5 5.4 40 40 A F E -CD 22 97A 13 57,-2.5 57,-1.8 -2,-0.6 -18,-0.2 -0.855 4.8-144.4 -95.0 121.1 59.3 36.2 2.4 41 41 A D > - 0 0 76 -20,-2.5 3,-2.4 -2,-0.6 55,-0.4 -0.345 55.6 -66.8 -58.5 159.9 61.2 36.7 -0.8 42 42 A K T 3 S+ 0 0 170 1,-0.3 53,-0.2 53,-0.3 -1,-0.2 -0.346 124.7 4.3 -56.3 131.5 59.0 36.0 -3.8 43 43 A G T 3 S+ 0 0 46 50,-3.0 -1,-0.3 1,-0.2 52,-0.1 0.569 94.0 148.3 69.2 11.9 58.0 32.3 -3.9 44 44 A A E < -N 93 0C 8 -3,-2.4 49,-2.1 49,-0.8 2,-0.3 -0.366 23.1-177.4 -74.5 162.4 59.8 31.6 -0.5 45 45 A E E -N 92 0C 52 -25,-0.8 2,-0.6 47,-0.2 47,-0.2 -0.976 39.3-126.0-149.4 156.5 58.3 28.9 1.7 46 46 A G E -N 91 0C 35 45,-1.4 45,-0.7 -2,-0.3 3,-0.2 -0.943 51.3-121.6 -98.3 99.5 58.5 27.0 5.0 47 47 A Y E - 0 0 170 -2,-0.6 42,-0.1 1,-0.1 45,-0.0 -0.005 52.8 -61.2 -41.4 144.6 58.6 23.5 3.6 48 48 A V E S+ 0 0 114 1,-0.1 2,-0.2 40,-0.1 42,-0.2 -0.042 80.3 168.2 -58.5 137.1 55.7 21.4 4.9 49 49 A H E -N 89 0C 88 40,-1.9 40,-1.7 -3,-0.2 2,-0.3 -0.834 30.9-165.2-155.1 152.7 56.0 21.2 8.6 50 50 A A + 0 0 47 -2,-0.2 2,-0.3 38,-0.2 38,-0.1 -0.988 13.1 166.9-152.3 156.2 54.7 20.3 12.1 51 51 A H - 0 0 22 -2,-0.3 35,-3.0 36,-0.2 36,-0.3 -0.987 43.7-113.2-163.7 163.1 55.5 21.1 15.7 52 52 A R S S+ 0 0 152 -2,-0.3 -1,-0.1 33,-0.2 35,-0.1 0.902 84.4 99.9 -68.5 -38.6 54.1 20.9 19.2 53 53 A H S S- 0 0 5 32,-0.1 33,-0.3 1,-0.1 -2,-0.2 -0.089 77.7-121.1 -52.3 136.4 53.9 24.7 19.7 54 54 A S E -E 104 0A 0 50,-2.7 50,-1.4 31,-0.1 2,-0.4 -0.500 35.8-160.2 -68.3 152.7 50.5 26.4 19.2 55 55 A Q E -EF 103 83A 9 28,-1.3 28,-2.4 48,-0.2 2,-0.4 -0.984 21.9-177.5-144.7 129.9 50.8 29.0 16.4 56 56 A V E -EF 102 82A 1 46,-2.7 46,-2.7 -2,-0.4 2,-0.4 -0.993 16.7-166.7-122.2 136.8 48.8 32.0 15.3 57 57 A S E -EF 101 81A 1 24,-2.9 24,-1.9 -2,-0.4 2,-0.4 -0.962 8.5-163.2-129.9 141.1 49.9 33.9 12.2 58 58 A Y E -EF 100 80A 16 42,-2.0 42,-2.5 -2,-0.4 2,-0.8 -0.972 20.7-129.9-122.5 135.1 48.9 37.3 10.8 59 59 A V E +E 99 0A 0 20,-3.1 19,-2.7 -2,-0.4 20,-0.2 -0.777 24.2 177.1 -88.1 112.4 49.5 38.5 7.2 60 60 A V E - 0 0 38 38,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.953 69.3 -25.5 -75.7 -55.2 51.2 41.9 7.3 61 61 A E E S+E 98 0A 113 37,-1.5 37,-3.6 16,-0.1 -1,-0.3 -0.980 98.0 49.0-157.5 155.5 51.5 42.1 3.6 62 62 A G E S-E 97 0A 11 -2,-0.3 2,-0.6 35,-0.3 15,-0.2 -0.413 81.2 -67.8 111.6 174.2 51.6 39.9 0.4 63 63 A E - 0 0 73 33,-0.6 2,-0.5 13,-0.1 32,-0.5 -0.899 48.0-165.1-105.6 123.2 49.6 36.9 -0.9 64 64 A F E -O 75 0C 0 11,-4.1 11,-4.2 -2,-0.6 2,-0.8 -0.943 16.0-156.7-116.0 121.1 50.0 33.7 1.1 65 65 A H E -OP 74 92C 86 27,-2.8 27,-2.1 -2,-0.5 2,-0.5 -0.861 29.8-172.0 -84.9 105.7 49.0 30.3 -0.1 66 66 A V E -OP 73 91C 1 7,-2.8 7,-2.1 -2,-0.8 2,-0.6 -0.895 18.2-162.1-114.7 130.8 48.5 28.6 3.3 67 67 A N E +OP 72 90C 54 23,-3.5 23,-3.2 -2,-0.5 2,-0.4 -0.948 13.1 172.5-105.0 119.6 47.8 24.9 3.9 68 68 A V E > S-OP 71 89C 0 3,-2.3 3,-2.1 -2,-0.6 21,-0.2 -0.973 75.4 -25.1-122.2 115.7 46.4 23.9 7.3 69 69 A D T 3 S- 0 0 99 19,-3.0 20,-0.1 -2,-0.4 3,-0.1 0.817 124.7 -53.1 59.1 32.7 45.4 20.3 7.9 70 70 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 18,-0.2 -1,-0.3 0.175 112.3 120.6 86.1 -15.2 44.8 19.9 4.1 71 71 A V E < -O 68 0C 63 -3,-2.1 -3,-2.3 2,-0.0 2,-0.4 -0.640 49.0-159.4 -76.4 137.0 42.5 22.9 3.9 72 72 A I E +O 67 0C 100 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.962 17.9 163.6-128.2 129.6 44.0 25.5 1.5 73 73 A K E -O 66 0C 87 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.6 -0.989 35.9-124.5-139.7 150.8 43.3 29.2 1.3 74 74 A V E -O 65 0C 78 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.3 -0.881 35.4-163.2 -90.6 126.3 44.9 32.2 -0.4 75 75 A L E -O 64 0C 0 -11,-4.2 -11,-4.1 -2,-0.6 2,-0.2 -0.886 10.5-177.6-115.7 142.2 45.5 34.9 2.3 76 76 A T > - 0 0 54 -2,-0.4 3,-2.0 -13,-0.2 -17,-0.3 -0.681 47.7 -42.5-124.8-179.1 46.3 38.6 2.0 77 77 A A T 3 S+ 0 0 52 1,-0.3 -17,-0.2 -2,-0.2 -1,-0.2 -0.116 125.6 23.7 -47.8 130.9 47.0 41.5 4.3 78 78 A G T 3 S+ 0 0 9 -19,-2.7 -1,-0.3 1,-0.4 2,-0.2 0.343 98.5 112.4 94.1 -5.2 44.8 41.5 7.4 79 79 A D < - 0 0 14 -3,-2.0 -20,-3.1 -20,-0.2 -1,-0.4 -0.561 45.0-168.4 -96.0 163.9 44.1 37.8 7.3 80 80 A S E -FG 58 121A 2 41,-2.9 41,-3.4 -22,-0.2 2,-0.3 -0.975 10.9-155.0-145.0 163.3 45.3 35.2 9.8 81 81 A F E -FG 57 120A 4 -24,-1.9 -24,-2.9 -2,-0.3 2,-0.4 -0.973 7.9-146.8-136.0 160.6 45.5 31.4 10.4 82 82 A F E -F 56 0A 1 37,-2.4 -26,-0.2 -2,-0.3 60,-0.0 -0.993 6.0-163.5-126.2 126.8 45.8 29.2 13.4 83 83 A V E -F 55 0A 0 -28,-2.4 -28,-1.3 -2,-0.4 3,-0.1 -0.938 15.2-143.7-111.7 108.2 47.7 25.9 13.6 84 84 A P > - 0 0 14 0, 0.0 3,-1.9 0, 0.0 -31,-0.0 -0.189 46.9 -68.7 -61.5 160.7 46.8 23.6 16.5 85 85 A P T 3 S+ 0 0 47 0, 0.0 -33,-0.2 0, 0.0 -32,-0.1 -0.369 118.9 2.0 -54.5 132.6 49.7 21.6 18.1 86 86 A H T 3 S+ 0 0 134 -35,-3.0 2,-0.3 -33,-0.3 -34,-0.1 0.387 92.6 144.2 72.8 7.2 51.1 19.0 15.8 87 87 A V < - 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