==== 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 25-JUL-07 2QPV . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN ATU1531; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR C.CHANG,T.A.BINKOWSKI,X.XU,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 70.3 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 . 76 28.6 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 30 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 21.4 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 2 6 0 0 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 . 0 0 2 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 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 0 226 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.1 59.3 15.2 13.9 2 2 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.070 360.0 -89.2 -73.9 158.5 60.1 12.7 16.7 3 3 A V - 0 0 151 1,-0.1 2,-0.3 100,-0.0 100,-0.0 -0.429 48.6-151.1 -63.4 130.3 59.3 9.0 17.1 4 4 A X - 0 0 73 -2,-0.2 101,-0.1 -3,-0.1 -1,-0.1 -0.754 18.6-100.7-106.3 151.3 56.0 8.5 18.9 5 5 A Q - 0 0 141 -2,-0.3 99,-3.0 99,-0.1 2,-0.3 -0.333 49.3-169.2 -59.9 151.6 54.6 5.9 21.2 6 6 A S E -A 103 0A 72 97,-0.2 2,-0.3 2,-0.0 97,-0.2 -0.937 25.2-156.6-145.6 158.5 52.2 3.6 19.4 7 7 A R E -A 102 0A 91 95,-2.0 95,-3.1 -2,-0.3 2,-0.8 -0.981 17.2-142.0-138.0 137.1 49.7 0.8 19.7 8 8 A I E -A 101 0A 92 -2,-0.3 2,-0.4 93,-0.2 93,-0.2 -0.880 17.6-159.7 -99.6 109.7 48.8 -1.6 17.0 9 9 A I E +A 100 0A 13 91,-3.0 91,-3.3 -2,-0.8 2,-0.3 -0.787 25.9 155.2 -89.8 130.8 45.0 -2.2 17.2 10 10 A H E +A 99 0A 105 -2,-0.4 2,-0.3 89,-0.3 89,-0.2 -0.998 20.8 175.5-155.1 156.0 44.0 -5.4 15.5 11 11 A L E -A 98 0A 30 87,-1.8 87,-2.9 -2,-0.3 2,-0.3 -0.957 32.2-101.5-154.9 167.9 41.4 -8.2 15.2 12 12 A S E -A 97 0A 50 -2,-0.3 2,-0.4 85,-0.2 85,-0.2 -0.733 24.4-161.1 -97.2 140.7 40.6 -11.3 13.2 13 13 A V E -A 96 0A 2 83,-2.8 83,-2.5 -2,-0.3 2,-1.1 -0.968 18.7-136.6-120.9 137.2 38.0 -11.5 10.4 14 14 A E S S+ 0 0 149 -2,-0.4 81,-0.1 81,-0.2 -2,-0.0 -0.361 74.6 87.9 -94.0 57.5 36.6 -14.8 9.2 15 15 A K S S- 0 0 58 -2,-1.1 -2,-0.2 81,-0.0 5,-0.1 -0.967 89.8 -80.0-145.0 150.5 36.7 -14.1 5.5 16 16 A P >> - 0 0 67 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.269 40.7-117.9 -55.7 140.2 39.4 -14.5 2.9 17 17 A W H 3> S+ 0 0 92 78,-0.4 4,-2.0 1,-0.2 5,-0.1 0.783 112.1 52.8 -45.2 -42.5 42.2 -11.8 2.9 18 18 A A H 3> S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 109.0 48.8 -65.5 -42.5 41.4 -10.7 -0.7 19 19 A E H <> S+ 0 0 83 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.779 110.7 50.4 -68.3 -32.7 37.6 -10.2 -0.0 20 20 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.900 113.4 46.1 -72.6 -42.1 38.4 -8.2 3.1 21 21 A Y H X S+ 0 0 21 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.904 108.9 55.8 -62.9 -45.1 40.8 -6.0 1.2 22 22 A D H X S+ 0 0 111 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.942 117.2 35.1 -53.5 -50.2 38.3 -5.6 -1.7 23 23 A F H < S+ 0 0 39 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.910 123.0 43.0 -70.3 -45.7 35.6 -4.3 0.7 24 24 A A H < S+ 0 0 3 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.746 108.6 55.8 -78.3 -25.8 37.9 -2.3 3.1 25 25 A A H < S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.633 83.6 94.8 -83.6 -15.7 40.2 -0.7 0.5 26 26 A N >< - 0 0 76 -4,-0.5 3,-2.2 -3,-0.4 4,-0.4 -0.714 67.2-156.1 -76.4 106.3 37.2 0.9 -1.3 27 27 A P G > S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.790 88.5 65.6 -61.4 -29.0 37.1 4.4 0.3 28 28 A G G 3 S+ 0 0 39 1,-0.3 13,-0.1 2,-0.2 -2,-0.0 0.545 98.1 54.0 -68.2 -11.1 33.4 4.7 -0.6 29 29 A N G X S+ 0 0 31 -3,-2.2 3,-2.1 -6,-0.2 4,-0.5 0.536 85.1 90.6 -91.2 -14.3 32.6 1.8 1.8 30 30 A X G X> S+ 0 0 9 -3,-1.3 4,-3.3 -4,-0.4 3,-1.1 0.798 75.2 60.6 -57.1 -38.9 34.4 3.7 4.6 31 31 A P G 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.612 97.0 66.2 -61.3 -11.3 31.3 5.6 5.9 32 32 A R G <4 S+ 0 0 147 -3,-2.1 -2,-0.2 1,-0.1 3,-0.1 0.752 122.3 9.6 -82.8 -24.7 29.8 2.1 6.6 33 33 A W T <4 S+ 0 0 9 -3,-1.1 2,-0.9 -4,-0.5 93,-0.3 0.585 110.7 80.1-128.9 -22.0 32.3 1.1 9.3 34 34 A A >< - 0 0 4 -4,-3.3 3,-2.8 -5,-0.2 4,-0.3 -0.808 62.7-160.7 -94.5 101.4 34.3 4.3 10.1 35 35 A A G > S+ 0 0 21 -2,-0.9 3,-1.0 1,-0.3 138,-0.4 0.746 87.2 62.9 -54.6 -32.7 32.0 6.2 12.5 36 36 A G G 3 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.656 109.4 42.8 -64.1 -16.9 33.9 9.5 11.9 37 37 A L G X S+ 0 0 2 -3,-2.8 3,-2.9 -7,-0.2 -1,-0.2 0.346 75.2 111.9-111.8 2.5 32.8 9.2 8.3 38 38 A A T < S+ 0 0 46 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.772 74.7 63.5 -46.7 -29.3 29.2 8.1 8.9 39 39 A G T 3 S- 0 0 37 130,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.765 120.8 -87.4 -65.6 -28.1 28.3 11.6 7.5 40 40 A G < - 0 0 18 -3,-2.9 2,-0.4 129,-0.1 11,-0.3 -0.463 25.9-123.6 134.7 157.0 29.8 10.6 4.1 41 41 A L - 0 0 19 -2,-0.1 2,-0.4 9,-0.1 9,-0.2 -0.976 24.8-166.0-136.0 120.4 33.0 10.5 2.0 42 42 A E E -D 49 0B 85 7,-2.3 7,-2.6 -2,-0.4 2,-0.2 -0.843 24.9-114.6-110.4 140.1 33.2 12.3 -1.4 43 43 A A E +D 48 0B 75 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.548 35.7 179.7 -73.4 139.3 35.8 11.8 -4.1 44 44 A D E > -D 47 0B 28 3,-3.9 3,-1.2 -2,-0.2 -1,-0.0 -0.726 59.3 -41.2-152.9 85.2 37.8 15.0 -4.7 45 45 A G T 3 S- 0 0 61 1,-0.3 3,-0.1 -2,-0.2 2,-0.1 0.950 122.2 -35.8 56.3 64.3 40.6 15.2 -7.3 46 46 A E T 3 S+ 0 0 200 1,-0.2 -1,-0.3 15,-0.0 2,-0.2 -0.048 135.8 61.5 79.2 -29.9 42.3 11.8 -6.8 47 47 A D E < S-D 44 0B 23 -3,-1.2 -3,-3.9 14,-0.1 2,-0.3 -0.472 81.6-104.7-117.5-168.2 41.7 12.0 -3.0 48 48 A W E -DE 43 60B 57 12,-2.2 12,-3.1 -5,-0.2 2,-0.4 -0.902 16.9-154.8-130.3 147.5 38.7 12.2 -0.6 49 49 A I E -DE 42 59B 4 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.6 -0.958 7.2-152.6-127.5 135.4 37.0 14.7 1.5 50 50 A A E - E 0 58B 12 8,-3.1 8,-1.5 -2,-0.4 2,-0.4 -0.924 25.8-154.9-109.0 109.0 34.8 14.4 4.7 51 51 A K E - E 0 57B 61 -2,-0.6 6,-0.2 -11,-0.3 5,-0.1 -0.693 32.2 -0.1 -94.6 126.5 32.4 17.3 4.9 52 52 A G + 0 0 3 4,-3.0 3,-0.2 -2,-0.4 202,-0.1 -0.118 63.6 65.7 118.0 166.2 30.7 18.8 7.9 53 53 A G S S- 0 0 5 200,-0.3 3,-0.2 1,-0.2 -1,-0.1 -0.576 98.7 -1.4 92.9-130.6 29.9 19.2 11.6 54 54 A P S S+ 0 0 10 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.999 144.4 21.1 -64.1 -74.3 32.3 20.3 14.4 55 55 A L S S- 0 0 25 -3,-0.2 3,-0.1 1,-0.1 137,-0.0 -0.902 84.5-155.3 -88.6 114.3 35.4 20.6 12.3 56 56 A G + 0 0 3 -2,-0.7 -4,-3.0 -3,-0.2 2,-0.3 0.577 66.0 55.1 -69.2 -7.5 33.9 21.1 8.8 57 57 A E E +E 51 0B 4 -6,-0.2 2,-0.4 -8,-0.0 -1,-0.2 -0.847 44.6 147.1-151.5 96.7 36.9 19.8 6.9 58 58 A V E -E 50 0B 5 -8,-1.5 -8,-3.1 -2,-0.3 2,-0.4 -0.990 23.8-155.6-123.3 143.4 39.2 16.7 6.7 59 59 A R E -EF 49 76B 40 17,-1.5 17,-2.9 -2,-0.4 2,-0.4 -0.863 7.5-158.9-107.7 141.5 40.9 15.3 3.6 60 60 A V E -EF 48 75B 1 -12,-3.1 -12,-2.2 -2,-0.4 2,-0.5 -0.993 4.4-166.3-125.6 131.3 42.0 11.7 3.3 61 61 A N E - F 0 74B 57 13,-2.4 13,-2.3 -2,-0.4 2,-0.3 -0.961 13.6-155.3-114.0 119.4 44.6 10.3 1.0 62 62 A F E - F 0 73B 43 -2,-0.5 11,-0.2 11,-0.2 10,-0.1 -0.654 23.1-104.0 -95.6 149.7 44.8 6.5 0.5 63 63 A A - 0 0 34 9,-2.8 3,-0.1 -2,-0.3 -1,-0.1 -0.307 50.4 -96.8 -58.2 149.7 47.7 4.3 -0.6 64 64 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.299 53.6 -75.1 -76.0 161.1 47.4 3.2 -4.2 65 65 A H + 0 0 141 -3,-0.1 2,-0.3 2,-0.1 6,-0.1 -0.237 66.0 161.8 -60.0 138.8 46.0 -0.3 -5.0 66 66 A N - 0 0 32 4,-0.2 3,-0.4 -3,-0.1 -1,-0.0 -0.927 50.9-118.8-152.7 168.0 48.4 -3.1 -4.2 67 67 A E S S+ 0 0 168 -2,-0.3 -2,-0.1 1,-0.2 -49,-0.0 0.058 95.9 79.5-104.6 25.0 48.7 -6.8 -3.6 68 68 A F S S- 0 0 142 2,-0.1 -1,-0.2 22,-0.0 21,-0.1 0.258 103.7-111.7-112.9 9.8 50.1 -6.4 -0.1 69 69 A G + 0 0 1 -3,-0.4 20,-2.2 1,-0.2 2,-0.4 0.625 64.6 154.9 68.8 17.2 46.9 -5.8 1.8 70 70 A V B +B 88 0A 36 18,-0.2 18,-0.2 1,-0.1 -1,-0.2 -0.649 20.8 164.5 -87.5 123.8 48.0 -2.2 2.5 71 71 A I + 0 0 7 16,-3.5 17,-0.2 -2,-0.4 -1,-0.1 -0.159 20.8 159.4-127.1 36.2 45.3 0.5 3.1 72 72 A D - 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C 0 97A 38 7,-2.0 7,-2.9 -2,-0.4 2,-0.1 -0.951 39.0 -88.5-133.9 155.1 47.1 -10.0 6.1 91 91 A P E - C 0 96A 89 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.394 31.1-174.8 -65.5 136.3 46.2 -13.8 5.9 92 92 A N E > - C 0 95A 79 3,-3.1 3,-2.2 -79,-0.2 2,-0.3 -0.788 64.8 -71.2-126.8 86.4 45.4 -15.5 9.2 93 93 A G T 3 S- 0 0 78 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.522 116.4 -14.2 58.1-121.7 45.0 -19.1 8.1 94 94 A S T 3 S+ 0 0 111 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.481 140.2 48.6 -84.3 -8.4 41.6 -19.1 6.2 95 95 A G E < S- C 0 92A 8 -3,-2.2 -3,-3.1 -79,-0.1 -78,-0.4 -0.244 84.8-100.5-115.6-153.6 40.8 -15.7 7.6 96 96 A T E -AC 13 91A 1 -83,-2.5 -83,-2.8 -5,-0.3 2,-0.5 -0.965 6.1-141.9-140.9 144.5 42.4 -12.3 8.0 97 97 A E E -AC 12 90A 36 -7,-2.9 -7,-2.0 -2,-0.3 2,-0.5 -0.958 20.5-162.2-104.8 123.0 44.1 -10.1 10.6 98 98 A V E -AC 11 89A 2 -87,-2.9 -87,-1.8 -2,-0.5 2,-0.4 -0.906 14.1-175.6-101.7 131.2 43.2 -6.4 10.2 99 99 A S E -AC 10 88A 29 -11,-2.6 -11,-2.2 -2,-0.5 2,-0.4 -0.989 18.5-167.7-136.6 145.3 45.6 -3.9 11.9 100 100 A F E -AC 9 87A 11 -91,-3.3 -91,-3.0 -2,-0.4 2,-0.9 -0.993 17.3-143.4-129.0 121.9 45.8 -0.2 12.6 101 101 A T E -AC 8 86A 32 -15,-2.6 -15,-0.6 -2,-0.4 2,-0.6 -0.789 18.4-160.1 -89.3 105.7 49.0 1.5 13.9 102 102 A L E -A 7 0A 6 -95,-3.1 -95,-2.0 -2,-0.9 2,-0.5 -0.767 2.3-159.5 -92.0 118.4 48.0 4.2 16.2 103 103 A L E -A 6 0A 50 -2,-0.6 2,-0.5 -19,-0.2 -97,-0.2 -0.823 20.1-123.1 -99.3 130.4 50.6 6.9 16.8 104 104 A R - 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