==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-OCT-11 3U4Y . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOTOMACULUM ACETOXIDANS; . AUTHOR K.TAN,L.BIGELOW,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 636 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 41.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 55 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 . 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 PARALLEL BRIDGES PER LADDER . 1 2 10 5 9 13 1 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 . 0 0 12 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 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 4 A T 0 0 129 0, 0.0 2,-0.3 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 88.5 1.4 53.9 88.1 2 5 A T - 0 0 83 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.864 360.0-165.7-111.9 146.5 4.6 53.5 90.2 3 6 A S + 0 0 42 -2,-0.3 2,-0.7 1,-0.1 273,-0.2 0.092 67.3 95.8-117.0 20.2 8.2 53.3 89.0 4 7 A N + 0 0 46 271,-0.1 17,-0.6 311,-0.1 18,-0.6 -0.646 68.6 87.6-109.1 74.6 9.6 52.0 92.2 5 8 A F E -A 20 0A 9 -2,-0.7 311,-2.2 15,-0.3 2,-0.3 -0.977 48.4-164.1-161.9 164.7 9.6 48.3 91.5 6 9 A G E -AB 19 315A 0 13,-2.3 13,-2.2 -2,-0.3 2,-0.4 -0.931 16.6-124.6-152.7 174.4 11.4 45.4 90.1 7 10 A I E -AB 18 314A 0 307,-2.5 307,-2.2 -2,-0.3 2,-0.4 -0.969 19.9-173.9-131.2 140.8 11.0 41.8 88.9 8 11 A V E -AB 17 313A 0 9,-2.5 9,-2.3 -2,-0.4 2,-0.3 -0.998 19.8-127.8-141.0 138.3 12.8 38.6 89.9 9 12 A V E -A 16 0A 0 303,-2.1 301,-1.9 -2,-0.4 2,-0.5 -0.591 11.3-167.6 -85.9 138.6 12.8 35.1 88.6 10 13 A E E > > -Ac 15 310A 0 5,-2.3 5,-2.2 -2,-0.3 3,-0.9 -0.853 9.6-175.9-122.3 93.5 12.2 32.1 90.9 11 14 A Q G > 5S+ 0 0 51 299,-1.8 3,-0.7 -2,-0.5 25,-0.3 0.826 76.5 52.0 -64.8 -37.4 13.1 29.2 88.6 12 15 A H G 3 5S+ 0 0 64 1,-0.3 -1,-0.3 296,-0.2 23,-0.0 0.682 112.5 45.4 -78.5 -17.3 12.2 26.3 90.9 13 16 A L G < 5S- 0 0 55 -3,-0.9 20,-0.3 295,-0.2 -1,-0.3 0.416 105.9-129.3 -98.0 -0.6 8.7 27.6 91.6 14 17 A R T < 5S+ 0 0 101 -3,-0.7 19,-1.6 -4,-0.4 18,-1.0 0.933 72.8 115.7 49.7 49.6 8.4 28.3 87.9 15 18 A R E < -AD 10 31A 38 -5,-2.2 -5,-2.3 16,-0.2 2,-0.3 -0.784 56.1-147.1-139.4 169.3 7.3 31.7 89.0 16 19 A I E -AD 9 30A 1 14,-1.6 14,-1.3 -2,-0.2 2,-0.4 -0.979 12.9-154.9-141.5 153.1 8.2 35.4 88.9 17 20 A S E -AD 8 29A 0 -9,-2.3 -9,-2.5 -2,-0.3 2,-0.4 -0.969 9.3-148.8-129.3 144.3 7.7 38.2 91.5 18 21 A F E -AD 7 28A 3 10,-2.2 9,-2.7 -2,-0.4 10,-0.9 -0.907 26.4-177.3-103.7 140.6 7.4 42.0 91.3 19 22 A F E -AD 6 26A 0 -13,-2.2 -13,-2.3 -2,-0.4 2,-0.5 -0.935 27.0-108.2-135.6 155.5 8.7 43.7 94.4 20 23 A S E > -A 5 0A 7 5,-2.2 4,-0.9 -2,-0.3 -15,-0.3 -0.777 9.4-149.4 -89.8 132.3 8.9 47.3 95.6 21 24 A T T 4 S+ 0 0 5 -17,-0.6 -16,-0.2 -2,-0.5 -1,-0.1 0.680 96.7 45.1 -54.5 -26.8 12.2 49.1 95.7 22 25 A D T 4 S+ 0 0 103 -18,-0.6 -1,-0.1 3,-0.1 -17,-0.1 0.958 123.1 22.3 -90.2 -67.7 10.8 51.1 98.6 23 26 A T T 4 S- 0 0 86 2,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.768 93.6-132.9 -74.8 -31.6 9.0 49.0 101.2 24 27 A L < + 0 0 25 -4,-0.9 281,-0.8 1,-0.3 2,-0.3 0.947 61.8 120.1 72.5 52.2 10.8 45.8 100.1 25 28 A E - 0 0 111 -5,-0.2 -5,-2.2 279,-0.2 -1,-0.3 -0.921 68.8 -83.4-137.8 163.3 7.8 43.6 99.9 26 29 A I E -D 19 0A 53 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.192 32.5-176.1 -64.0 161.1 6.1 41.6 97.1 27 30 A L E - 0 0 76 -9,-2.7 2,-0.3 1,-0.4 -8,-0.2 0.659 66.4 -11.1-121.6 -53.0 3.7 43.2 94.7 28 31 A N E -D 18 0A 41 -10,-0.9 -10,-2.2 39,-0.1 2,-0.5 -0.963 55.5-152.4-153.7 138.9 2.4 40.5 92.4 29 32 A Q E -D 17 0A 78 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.2 -0.910 9.8-166.8-123.3 108.5 3.4 36.8 91.9 30 33 A I E -D 16 0A 25 -14,-1.3 -14,-1.6 -2,-0.5 2,-0.6 -0.807 1.5-169.2 -94.9 121.8 2.7 35.3 88.5 31 34 A T E +D 15 0A 93 -2,-0.6 -16,-0.2 -16,-0.2 -17,-0.1 -0.929 20.2 156.1-113.6 110.7 3.0 31.5 88.4 32 35 A L - 0 0 51 -18,-1.0 -17,-0.1 -2,-0.6 -1,-0.1 0.483 54.0-116.0-111.2 -5.9 3.0 30.0 84.8 33 36 A G + 0 0 39 -19,-1.6 2,-0.3 -20,-0.3 -19,-0.1 0.925 65.4 135.9 68.0 47.2 4.8 26.7 85.2 34 37 A Y - 0 0 50 -20,-0.5 2,-1.4 17,-0.1 -1,-0.2 -0.774 68.7-104.1-119.5 173.7 7.8 27.4 83.0 35 38 A D - 0 0 22 -2,-0.3 18,-2.1 -21,-0.1 20,-0.1 -0.492 52.8-164.8 -91.4 61.3 11.5 26.8 83.2 36 39 A F E +E 52 0B 0 -2,-1.4 16,-0.3 -25,-0.3 -22,-0.1 -0.161 25.2 155.1 -67.0 141.7 12.3 30.5 83.9 37 40 A V E - 0 0 2 14,-1.8 275,-2.8 1,-0.4 2,-0.2 0.634 53.1 -0.1-123.7 -76.2 15.8 32.0 83.6 38 41 A D E - 0 0 2 43,-0.5 13,-2.0 273,-0.2 -1,-0.4 -0.683 51.3-150.6-123.3 171.2 16.3 35.8 83.0 39 42 A T E -E 50 0B 7 -2,-0.2 2,-0.3 11,-0.2 274,-0.2 -0.991 3.8-166.0-139.9 150.3 14.3 39.0 82.5 40 43 A A E -E 49 0B 8 9,-1.7 9,-2.0 -2,-0.3 2,-0.3 -0.847 11.3-152.9-123.1 165.5 14.6 42.4 80.8 41 44 A I E -E 48 0B 29 -2,-0.3 7,-0.2 7,-0.2 44,-0.2 -0.923 22.4-105.1-135.4 161.8 12.5 45.5 81.3 42 45 A T - 0 0 6 5,-1.2 275,-0.4 -2,-0.3 46,-0.0 -0.482 15.9-126.5 -94.9 153.0 11.6 48.3 78.9 43 46 A S S S+ 0 0 43 1,-0.3 276,-0.2 -2,-0.1 274,-0.2 0.992 121.3 51.4 -50.7 -65.9 13.0 51.9 78.9 44 47 A D S S- 0 0 111 274,-0.2 -1,-0.3 1,-0.1 272,-0.0 0.749 109.6-138.1 -23.6 -44.8 9.4 53.0 79.0 45 48 A a S S+ 0 0 2 2,-0.2 -1,-0.1 272,-0.1 -2,-0.1 0.449 75.2 107.7 85.9 6.6 9.3 50.6 82.0 46 49 A S + 0 0 22 1,-0.1 17,-2.5 16,-0.1 2,-0.4 0.754 68.8 46.4 -91.0 -31.1 5.9 49.4 80.7 47 50 A N E - F 0 62B 29 15,-0.2 -5,-1.2 16,-0.1 2,-0.3 -0.944 60.5-163.8-124.5 143.3 6.7 45.9 79.4 48 51 A V E -EF 41 61B 0 13,-2.4 13,-1.6 -2,-0.4 2,-0.4 -0.759 5.0-153.5-115.8 159.2 8.7 43.0 80.8 49 52 A V E -EF 40 60B 0 -9,-2.0 -9,-1.7 -2,-0.3 2,-0.4 -0.995 7.5-172.5-136.2 131.5 10.2 39.9 79.2 50 53 A V E -EF 39 59B 0 9,-2.4 9,-2.3 -2,-0.4 2,-0.2 -0.966 10.0-154.3-121.4 143.4 10.9 36.5 80.8 51 54 A T E - 0 0 0 -13,-2.0 -14,-1.8 -2,-0.4 2,-0.3 -0.650 1.7-155.1-110.4 164.8 12.8 33.6 79.2 52 55 A S E -E 36 0B 0 -16,-0.3 28,-0.9 -2,-0.2 -16,-0.2 -0.997 4.4-156.6-143.6 149.0 12.8 29.8 79.7 53 56 A D S > S+ 0 0 13 -18,-2.1 3,-1.2 -2,-0.3 -1,-0.2 0.969 87.2 16.3 -85.0 -81.7 15.3 27.1 79.0 54 57 A F T 3 S+ 0 0 142 1,-0.3 -18,-0.1 25,-0.1 25,-0.0 0.756 128.2 53.7 -76.0 -25.6 14.0 23.6 78.5 55 58 A C T 3 S- 0 0 35 -20,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.511 94.4-152.4 -79.2 -5.1 10.5 24.9 78.0 56 59 A Q < + 0 0 48 -3,-1.2 20,-3.2 1,-0.1 2,-0.4 0.760 45.2 136.9 30.6 45.6 11.9 27.2 75.2 57 60 A T E - G 0 75B 10 18,-0.2 2,-0.5 23,-0.1 18,-0.2 -0.951 43.8-155.6-123.6 130.2 9.2 29.8 75.8 58 61 A L E - G 0 74B 0 16,-2.3 16,-2.1 -2,-0.4 2,-0.4 -0.859 13.2-163.2 -96.9 131.0 9.3 33.6 76.0 59 62 A V E -FG 50 73B 0 -9,-2.3 -9,-2.4 -2,-0.5 2,-0.4 -0.926 2.1-158.2-114.2 143.2 6.6 35.4 77.9 60 63 A Q E -FG 49 72B 8 12,-1.9 11,-2.4 -2,-0.4 12,-1.3 -0.952 11.6-173.7-118.4 133.7 5.7 39.1 77.7 61 64 A I E -FG 48 70B 2 -13,-1.6 -13,-2.4 -2,-0.4 2,-0.4 -0.969 22.0-135.9-133.0 144.6 3.9 41.1 80.4 62 65 A E E -FG 47 69B 79 7,-2.8 7,-1.5 -2,-0.4 -15,-0.2 -0.824 16.9-167.3 -93.4 137.8 2.4 44.6 80.8 63 66 A T + 0 0 18 -17,-2.5 2,-0.5 -2,-0.4 -16,-0.1 0.444 59.8 86.9-110.1 -1.3 3.2 46.1 84.2 64 67 A Q S S+ 0 0 84 -18,-0.3 2,-0.3 5,-0.1 -1,-0.2 -0.348 74.8 78.4-103.0 50.9 1.0 49.2 84.6 65 68 A L S S- 0 0 61 -2,-0.5 0, 0.0 -3,-0.2 0, 0.0 -0.996 90.8 -80.0-159.2 166.8 -2.3 47.8 86.0 66 69 A E S S+ 0 0 178 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.706 122.0 2.5 -28.2 -69.5 -4.3 46.5 89.0 67 70 A P S S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.996 105.0 -92.8-115.6 131.8 -2.7 43.1 88.8 68 71 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.017 40.5-139.1 -37.6 133.5 0.0 42.7 86.1 69 72 A K E -G 62 0B 102 -7,-1.5 -7,-2.8 2,-0.0 2,-0.2 -0.880 4.5-149.7-110.1 110.8 -1.3 41.4 82.8 70 73 A V E +G 61 0B 49 -2,-0.6 -9,-0.2 -9,-0.3 3,-0.1 -0.602 20.1 175.0 -75.9 142.4 0.6 38.8 80.7 71 74 A V E + 0 0 47 -11,-2.4 2,-0.3 1,-0.3 -10,-0.2 0.534 52.3 31.8-133.7 -15.5 -0.2 39.3 77.1 72 75 A A E -G 60 0B 13 -12,-1.3 -12,-1.9 2,-0.0 -1,-0.3 -0.993 45.2-176.0-145.7 147.3 1.8 37.0 74.9 73 76 A I E +G 59 0B 70 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.863 18.5 172.5-139.7 107.2 3.3 33.5 75.2 74 77 A Q E -G 58 0B 83 -16,-2.1 -16,-2.3 -2,-0.3 2,-0.4 -0.890 24.9-136.6-116.5 145.2 5.5 32.3 72.2 75 78 A E E -G 57 0B 138 -2,-0.3 -18,-0.2 -18,-0.2 2,-0.2 -0.803 22.7-143.5 -96.0 140.2 7.7 29.2 71.8 76 79 A G - 0 0 3 -20,-3.2 4,-0.1 -2,-0.4 41,-0.0 -0.551 25.8-107.3 -97.1 167.0 11.1 29.6 70.3 77 80 A Q S S- 0 0 130 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.881 99.6 -6.0 -53.0 -42.8 13.1 27.4 67.9 78 81 A S S S- 0 0 1 1,-0.2 -2,-0.2 -22,-0.1 22,-0.1 -0.792 97.6 -49.1-144.8-173.7 15.4 26.4 70.8 79 82 A S - 0 0 0 22,-0.4 2,-0.3 20,-0.4 24,-0.3 -0.011 47.7-151.6 -63.7 168.1 16.2 27.2 74.5 80 83 A X + 0 0 0 -28,-0.9 16,-0.2 16,-0.2 18,-0.2 -0.985 27.1 144.9-142.9 147.7 16.7 30.7 76.0 81 84 A A + 0 0 0 14,-2.0 -43,-0.5 1,-0.6 -30,-0.2 0.111 57.7 41.4-144.3 -95.2 18.5 32.3 78.8 82 85 A D - 0 0 1 185,-0.8 13,-1.7 14,-0.4 -1,-0.6 -0.326 66.6-168.3 -60.9 146.3 20.1 35.8 79.0 83 86 A V E +H 94 0C 4 -44,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.999 14.9 178.4-134.6 143.7 18.0 38.6 77.4 84 87 A D E -H 93 0C 54 9,-1.9 9,-3.4 -2,-0.4 2,-0.3 -0.955 19.8-138.0-131.1 156.7 18.6 42.1 76.4 85 88 A I E -H 92 0C 17 -2,-0.3 7,-0.2 7,-0.2 44,-0.2 -0.862 29.6-105.6-107.7 147.0 16.3 44.6 74.7 86 89 A T > - 0 0 9 5,-2.5 3,-1.9 -2,-0.3 -1,-0.0 -0.311 38.5-107.5 -63.5 160.3 17.4 46.9 71.9 87 90 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.781 119.1 57.0 -70.0 -24.8 17.7 50.5 73.2 88 91 A D T 3 S- 0 0 95 -45,-0.1 -2,-0.1 -46,-0.0 -46,-0.0 0.357 107.7-124.1 -83.0 2.5 14.5 51.5 71.3 89 92 A D S < S+ 0 0 36 -3,-1.9 20,-0.1 2,-0.2 3,-0.1 0.574 81.7 113.4 71.1 6.9 12.4 48.9 73.1 90 93 A Q S S+ 0 0 61 1,-0.1 19,-2.5 19,-0.1 20,-0.5 0.891 73.9 30.1 -79.9 -39.0 11.3 47.4 69.8 91 94 A F E - 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