==== 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 HYDROLASE 26-MAY-05 1ZTC . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0894; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 833 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 81 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 4 0 0 0 1 3 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 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 PARALLEL BRIDGES PER LADDER . 8 8 2 0 12 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 . 0 0 2 0 8 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 H 0 0 160 0, 0.0 2,-0.2 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 109.6 49.4 103.0 -16.6 2 0 A H - 0 0 117 31,-0.0 31,-0.5 151,-0.0 2,-0.5 -0.535 360.0-135.3 -92.3 149.4 50.0 101.8 -13.0 3 1 A X E -A 32 0A 1 149,-0.3 151,-2.8 -2,-0.2 152,-0.5 -0.929 18.5-156.7-105.0 124.8 47.5 101.3 -10.2 4 2 A E E -A 31 0A 80 27,-2.1 27,-1.9 -2,-0.5 2,-0.4 -0.878 5.1-150.5-105.8 135.6 48.5 102.6 -6.8 5 3 A L E +A 30 0A 16 -2,-0.4 2,-0.4 25,-0.2 25,-0.2 -0.837 15.4 176.7-106.7 136.6 47.0 101.2 -3.6 6 4 A K E -A 29 0A 80 23,-2.6 23,-2.9 -2,-0.4 2,-0.9 -0.987 23.3-143.9-133.2 130.3 46.4 103.0 -0.3 7 5 A I E -A 28 0A 42 -2,-0.4 21,-0.2 21,-0.2 3,-0.2 -0.831 18.7-177.5 -88.3 107.2 44.7 101.4 2.7 8 6 A L E + 0 0 0 19,-2.0 2,-0.3 -2,-0.9 -1,-0.2 0.845 69.6 10.9 -75.6 -35.0 42.8 104.3 4.2 9 7 A V E -A 27 0A 0 18,-1.3 18,-2.2 -3,-0.1 2,-0.5 -0.990 62.9-145.0-143.2 131.7 41.4 102.3 7.1 10 8 A T - 0 0 28 -2,-0.3 193,-0.2 16,-0.2 16,-0.1 -0.900 38.7-126.6 -93.8 128.6 42.3 98.9 8.5 11 9 A G + 0 0 0 -2,-0.5 2,-0.2 191,-0.5 14,-0.2 -0.072 33.9 165.0 -77.0 172.7 39.0 97.5 9.8 12 10 A G B -F 24 0B 0 12,-2.4 12,-1.7 188,-0.2 2,-0.4 -0.842 29.7 -93.2-162.0-163.0 38.0 96.1 13.2 13 11 A N E +G 643 0C 21 630,-1.6 630,-3.3 -2,-0.2 2,-0.4 -0.996 22.7 173.7-136.6 136.5 35.1 95.1 15.4 14 12 A V E +G 642 0C 0 -2,-0.4 8,-3.6 628,-0.2 2,-0.4 -0.903 26.6 148.9-141.6 110.1 33.1 96.8 18.1 15 13 A F E +GH 641 21C 24 626,-3.0 626,-1.8 -2,-0.4 6,-0.2 -0.962 22.8 173.0-154.0 121.1 30.2 94.7 19.3 16 14 A V E >> - H 0 20C 1 4,-2.5 4,-2.5 -2,-0.4 3,-2.4 -0.981 46.6-110.7-126.0 112.6 28.4 94.3 22.5 17 15 A P T 34 S+ 0 0 13 0, 0.0 621,-0.1 0, 0.0 4,-0.1 -0.202 98.2 0.4 -47.8 124.3 25.3 92.1 22.1 18 16 A G T 34 S+ 0 0 22 1,-0.1 3,-0.1 2,-0.1 454,-0.0 0.508 135.0 51.9 82.7 1.6 22.1 94.2 22.5 19 17 A R T <4 S+ 0 0 21 -3,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.605 103.8 26.1-140.0 -34.4 24.0 97.5 23.1 20 18 A L E < +H 16 0C 1 -4,-2.5 -4,-2.5 446,-0.1 2,-0.4 -0.953 40.3 173.4-154.7 123.6 26.6 98.4 20.5 21 19 A N E +H 15 0C 33 444,-2.1 446,-0.2 -2,-0.3 -6,-0.2 -0.899 24.2 141.0-130.8 100.9 27.2 97.7 16.9 22 20 A A + 0 0 1 -8,-3.6 -7,-0.2 -2,-0.4 -10,-0.1 -0.025 17.6 157.0-133.6 36.1 30.1 99.6 15.5 23 21 A H - 0 0 39 -9,-0.3 2,-0.3 -10,-0.2 22,-0.2 -0.271 20.6-169.1 -53.9 145.5 31.8 97.1 13.2 24 22 A F B -F 12 0B 0 -12,-1.7 -12,-2.4 21,-0.1 52,-0.2 -0.981 10.4-136.1-148.2 129.9 33.9 98.8 10.6 25 23 A S - 0 0 0 50,-2.2 18,-0.3 -2,-0.3 176,-0.2 -0.436 29.2 -95.3 -83.4 156.5 35.5 97.5 7.4 26 24 A T - 0 0 6 174,-1.6 2,-0.5 -2,-0.1 -16,-0.2 -0.380 39.1-142.8 -51.2 142.5 38.9 98.1 5.9 27 25 A V E -A 9 0A 1 -18,-2.2 -19,-2.0 14,-0.1 -18,-1.3 -0.988 13.3-163.1-123.8 122.3 38.7 100.8 3.3 28 26 A V E -AB 7 39A 2 11,-2.0 11,-2.5 -2,-0.5 2,-0.4 -0.889 1.5-164.7-110.0 132.8 40.9 100.5 0.2 29 27 A Y E -AB 6 38A 4 -23,-2.9 -23,-2.6 -2,-0.4 2,-0.4 -0.962 7.2-174.9-119.8 134.5 41.6 103.3 -2.2 30 28 A L E -AB 5 37A 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.5 -0.994 12.3-158.8-131.7 137.9 43.1 102.9 -5.7 31 29 A E E +AB 4 36A 82 -27,-1.9 -27,-2.1 -2,-0.4 2,-0.3 -0.979 20.7 161.3-114.7 127.1 44.2 105.3 -8.3 32 30 A H E > -AB 3 35A 4 3,-1.8 3,-3.0 -2,-0.5 -29,-0.1 -0.940 64.8 -49.9-147.0 121.7 44.4 104.2 -12.0 33 31 A K T 3 S- 0 0 107 -31,-0.5 -31,-0.0 -2,-0.3 -1,-0.0 -0.332 124.4 -19.5 48.9-118.4 44.5 106.6 -14.8 34 32 A D T 3 S+ 0 0 106 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.218 115.7 106.6 -98.1 9.4 41.6 109.1 -14.2 35 33 A R E < -B 32 0A 73 -3,-3.0 -3,-1.8 29,-0.1 2,-0.5 -0.755 49.0-166.6 -97.8 138.4 39.8 106.7 -11.8 36 34 A R E -B 31 0A 73 -2,-0.4 29,-1.9 27,-0.2 30,-1.6 -0.961 24.3-169.4-123.1 109.3 39.6 107.2 -8.0 37 35 A I E -Bc 30 66A 0 -7,-3.1 -7,-2.7 -2,-0.5 2,-0.5 -0.829 17.4-166.9-116.1 132.6 38.4 103.9 -6.7 38 36 A I E -Bc 29 67A 0 28,-2.7 30,-2.7 -2,-0.4 2,-0.6 -0.973 5.2-161.6-115.5 132.6 37.1 102.7 -3.3 39 37 A I E S-Bc 28 68A 1 -11,-2.5 -11,-2.0 -2,-0.5 30,-0.2 -0.968 80.4 -5.5-110.0 119.0 36.6 99.1 -2.3 40 38 A D - 0 0 5 28,-2.8 -1,-0.3 -2,-0.6 -12,-0.2 0.993 69.8-153.8 60.0 86.0 34.3 98.9 0.8 41 39 A P - 0 0 1 0, 0.0 36,-0.2 0, 0.0 -14,-0.1 0.636 36.0-147.2 -65.1 -16.6 33.8 102.5 1.8 42 40 A G - 0 0 0 34,-2.3 37,-2.7 -16,-0.2 38,-0.3 -0.333 18.7 -41.8 92.3-163.1 33.3 101.5 5.4 43 41 A N > - 0 0 8 -18,-0.3 3,-2.1 35,-0.2 32,-0.1 -0.686 47.5-105.8-115.7 160.4 31.2 102.6 8.3 44 42 A L G > S+ 0 0 5 1,-0.3 3,-1.9 -2,-0.2 -20,-0.1 0.789 112.3 68.7 -52.0 -36.4 30.3 105.8 10.0 45 43 A S G 3 S+ 0 0 5 1,-0.3 396,-1.9 -22,-0.2 3,-0.4 0.668 92.1 60.4 -63.8 -17.7 32.7 105.2 12.9 46 44 A S G <> S+ 0 0 0 -3,-2.1 4,-2.8 1,-0.2 3,-0.3 0.307 71.7 111.1 -86.9 7.8 35.7 105.6 10.5 47 45 A X H <> S+ 0 0 10 -3,-1.9 4,-2.3 1,-0.2 479,-0.2 0.828 75.3 47.6 -57.4 -40.2 34.7 109.2 9.7 48 46 A D H > S+ 0 0 47 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.885 113.7 47.7 -69.7 -38.8 37.6 110.9 11.5 49 47 A E H > S+ 0 0 13 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.917 113.3 47.9 -66.5 -43.2 40.2 108.5 9.9 50 48 A L H X S+ 0 0 4 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.911 108.3 54.8 -62.9 -43.0 38.7 109.0 6.5 51 49 A E H X S+ 0 0 35 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.913 110.8 46.0 -51.3 -48.9 38.6 112.8 6.9 52 50 A E H X S+ 0 0 88 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.903 114.6 46.2 -65.5 -42.5 42.4 112.7 7.7 53 51 A K H X S+ 0 0 29 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 111.9 50.1 -71.4 -40.9 43.2 110.4 4.8 54 52 A F H X>S+ 0 0 2 -4,-3.1 5,-1.9 2,-0.2 4,-1.1 0.913 111.0 51.1 -60.5 -42.1 41.2 112.4 2.2 55 53 A S H ><5S+ 0 0 95 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.939 110.1 48.7 -60.4 -46.6 42.9 115.5 3.5 56 54 A E H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.7 48.1 -58.1 -42.4 46.3 113.9 3.0 57 55 A L H 3<5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.634 107.4-127.9 -74.0 -15.6 45.4 112.8 -0.5 58 56 A G T <<5 + 0 0 66 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.767 67.1 120.7 72.5 27.8 44.0 116.2 -1.4 59 57 A I < - 0 0 25 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.795 51.8-143.1-122.4 164.4 40.7 114.8 -2.6 60 58 A S > - 0 0 25 -2,-0.3 3,-1.8 -3,-0.1 4,-0.3 -0.752 35.9-106.0-113.9 160.9 37.1 115.2 -1.8 61 59 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 24,-0.3 0.826 118.9 67.8 -52.4 -32.9 34.3 112.5 -1.7 62 60 A D G 3 S+ 0 0 61 1,-0.3 21,-0.1 21,-0.1 -3,-0.0 0.638 91.8 61.1 -62.9 -16.2 33.1 114.2 -5.0 63 61 A D G < S+ 0 0 61 -3,-1.8 2,-0.5 -28,-0.0 -1,-0.3 0.523 75.8 107.6 -89.9 -8.2 36.3 113.0 -6.7 64 62 A I < + 0 0 0 -3,-1.6 21,-0.3 -4,-0.3 -27,-0.2 -0.643 41.7 176.9 -76.4 124.1 35.5 109.3 -6.1 65 63 A T + 0 0 22 -29,-1.9 22,-2.1 -2,-0.5 2,-0.3 0.663 61.5 28.8 -98.2 -28.3 34.5 107.8 -9.5 66 64 A D E -cd 37 87A 0 -30,-1.6 -28,-2.7 20,-0.3 2,-0.4 -0.999 54.6-174.2-144.7 136.7 34.0 104.1 -8.6 67 65 A V E -cd 38 88A 0 20,-2.9 22,-2.6 -2,-0.3 2,-0.4 -0.989 8.6-168.5-135.2 122.8 33.0 102.2 -5.5 68 66 A L E -cd 39 89A 0 -30,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.878 7.6-149.9-112.0 144.6 33.0 98.4 -5.3 69 67 A F - 0 0 0 20,-2.1 22,-0.3 -2,-0.4 3,-0.1 -0.950 16.8-159.1-115.3 128.5 31.5 96.2 -2.5 70 68 A T S S- 0 0 0 -2,-0.5 77,-2.6 1,-0.3 2,-0.3 0.941 85.0 -28.1 -59.9 -45.1 32.6 92.9 -1.3 71 69 A H - 0 0 0 75,-0.2 2,-1.5 2,-0.2 -1,-0.3 -0.988 68.6 -89.2-166.0 171.9 29.1 92.6 -0.0 72 70 A V + 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 74,-0.0 -0.597 68.2 128.9 -95.4 73.6 26.0 94.4 1.3 73 71 A H >> - 0 0 32 -2,-1.5 3,-2.2 1,-0.1 4,-1.5 -0.992 63.3-124.3-123.6 138.2 26.6 94.6 5.0 74 72 A L H 3> S+ 0 0 8 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.769 107.1 60.8 -54.6 -37.9 26.3 98.0 6.6 75 73 A D H 34 S+ 0 0 24 1,-0.2 -50,-2.2 2,-0.2 -1,-0.3 0.675 114.9 37.7 -68.3 -13.0 29.8 98.1 8.2 76 74 A H H <4 S+ 0 0 0 -3,-2.2 -34,-2.3 -52,-0.2 -2,-0.2 0.693 127.0 30.9-100.7 -31.4 31.2 97.8 4.6 77 75 A I H >< S+ 0 0 0 -4,-1.5 3,-2.3 -36,-0.2 4,-0.3 0.572 84.7 95.7-109.5 -16.3 28.8 100.0 2.6 78 76 A F G >< S+ 0 0 9 -4,-2.2 3,-1.8 1,-0.3 -35,-0.2 0.887 82.7 56.8 -51.6 -46.1 27.4 102.8 4.9 79 77 A N G > S+ 0 0 2 -37,-2.7 3,-2.2 1,-0.3 4,-0.3 0.558 80.1 91.4 -67.5 -7.5 29.9 105.4 3.7 80 78 A S G X S+ 0 0 1 -3,-2.3 3,-1.5 -38,-0.3 -1,-0.3 0.779 71.2 74.2 -53.5 -28.1 28.8 104.9 0.1 81 79 A V G < S+ 0 0 27 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.703 87.8 61.8 -60.5 -18.4 26.3 107.7 0.9 82 80 A L G < S+ 0 0 1 -3,-2.2 2,-1.0 1,-0.2 -1,-0.3 0.706 87.8 75.0 -78.4 -21.0 29.2 110.2 0.7 83 81 A F X + 0 0 7 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.2 -0.718 48.6 164.6-106.3 89.5 30.1 109.5 -3.0 84 82 A E T 3 S+ 0 0 109 -2,-1.0 -1,-0.2 1,-0.2 -22,-0.1 0.622 76.6 47.2 -77.9 -18.4 27.5 111.2 -5.1 85 83 A N T 3 S+ 0 0 106 -24,-0.3 -1,-0.2 -21,-0.3 2,-0.2 0.322 90.9 107.8-106.8 5.2 29.5 110.9 -8.4 86 84 A A < - 0 0 3 -3,-0.8 33,-0.5 -6,-0.2 2,-0.5 -0.477 64.0-132.0 -89.5 151.2 30.5 107.3 -8.2 87 85 A T E -d 66 0A 35 -22,-2.1 -20,-2.9 -2,-0.2 2,-0.4 -0.890 29.5-141.0 -91.2 135.0 29.5 104.2 -10.1 88 86 A F E -de 67 120A 4 31,-3.1 33,-3.5 -2,-0.5 2,-0.4 -0.821 11.5-159.2-102.9 139.0 28.7 101.4 -7.7 89 87 A Y E +de 68 121A 23 -22,-2.6 -20,-2.1 -2,-0.4 2,-0.3 -0.977 23.6 149.0-124.8 130.6 29.6 97.8 -8.3 90 88 A V E - e 0 122A 1 31,-1.9 33,-2.7 -2,-0.4 2,-0.2 -0.981 51.6 -87.0-157.7 149.3 28.0 94.9 -6.6 91 89 A H E > - e 0 123A 8 54,-0.6 3,-2.0 -22,-0.3 4,-0.2 -0.448 38.7-126.0 -66.5 135.5 27.1 91.3 -7.3 92 90 A E G > S+ 0 0 75 31,-3.1 3,-1.6 1,-0.3 4,-0.2 0.741 101.0 72.3 -55.4 -28.1 23.7 91.0 -9.0 93 91 A V G > S+ 0 0 38 30,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.603 75.1 82.2 -74.6 -4.9 22.2 88.5 -6.5 94 92 A Y G X S+ 0 0 16 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.858 81.5 66.3 -61.4 -33.8 22.0 91.3 -3.9 95 93 A K G < S+ 0 0 124 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 90.5 63.9 -62.4 -15.3 18.7 92.3 -5.6 96 94 A T G < S+ 0 0 88 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.3 0.479 85.8 91.8 -87.9 -4.9 17.2 88.9 -4.4 97 95 A K S < S- 0 0 38 -3,-1.8 2,-1.0 -4,-0.2 3,-0.1 -0.739 72.6-137.8 -92.1 140.3 17.5 89.8 -0.8 98 96 A N > - 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0 0 34 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.185 37.7-148.6 -71.2 166.0 23.2 82.6 23.0 833 203 D L B -X 825 0N 23 -8,-2.4 -8,-3.2 -3,-0.1 3,-0.0 -0.997 17.1-131.0-139.2 138.0 20.9 80.8 20.5 834 204 D K - 0 0 119 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.800 42.8-119.9 -75.9 115.8 18.3 78.0 20.5 835 205 D P 0 0 24 0, 0.0 -1,-0.0 0, 0.0 -14,-0.0 -0.264 360.0 360.0 -60.4 153.1 19.4 75.8 17.5 836 206 D E 0 0 157 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.056 360.0 360.0 -77.6 360.0 16.7 75.5 14.8