==== 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 31-MAY-05 1ZUP . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM1739; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 580 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 18.1 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 1 1 0 1 0 2 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 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 0 PARALLEL BRIDGES PER LADDER . 10 2 3 3 2 1 1 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 157 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 179.0 39.1 46.9 -40.7 2 0 A H - 0 0 193 1,-0.1 2,-0.3 403,-0.0 403,-0.1 -0.443 360.0-100.9 -69.5 143.1 37.6 46.4 -37.2 3 1 A X - 0 0 31 401,-0.4 2,-0.9 -2,-0.1 403,-0.2 -0.476 30.0-148.2 -72.0 127.4 38.4 43.0 -35.6 4 2 A Q + 0 0 75 -2,-0.3 2,-0.7 401,-0.1 -1,-0.1 -0.774 21.1 172.9-101.1 93.8 35.6 40.4 -35.8 5 3 A V - 0 0 24 -2,-0.9 2,-0.6 348,-0.0 -2,-0.0 -0.855 16.0-159.0-102.4 106.8 35.5 38.1 -32.8 6 4 A R - 0 0 42 -2,-0.7 348,-1.7 2,-0.0 2,-0.5 -0.723 10.2-157.4 -85.6 117.1 32.4 35.8 -32.8 7 5 A I E +A 353 0A 45 -2,-0.6 346,-0.3 346,-0.2 3,-0.1 -0.821 21.6 174.5-104.4 125.3 31.7 34.6 -29.3 8 6 A E E S+ 0 0 26 344,-3.1 218,-1.8 -2,-0.5 219,-0.5 0.462 72.9 11.5-103.4 -13.0 29.8 31.4 -28.8 9 7 A R E -A 352 0A 61 343,-1.2 343,-2.4 216,-0.1 -1,-0.4 -0.943 58.3-171.5-164.4 147.8 30.2 31.2 -25.0 10 8 A A E +A 351 0A 3 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.984 8.9 178.6-146.1 142.4 31.4 33.3 -22.2 11 9 A E E -A 350 0A 22 339,-2.2 339,-3.0 -2,-0.3 -2,-0.0 -0.998 32.0-109.4-151.7 134.8 32.0 32.5 -18.5 12 10 A R E -A 349 0A 88 -2,-0.3 2,-0.5 337,-0.2 337,-0.2 -0.320 33.5-129.0 -63.7 144.0 33.2 34.2 -15.4 13 11 A I - 0 0 15 335,-2.5 3,-0.1 1,-0.1 334,-0.1 -0.871 17.4-165.6-104.5 128.9 36.6 33.1 -14.2 14 12 A E + 0 0 116 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.856 61.2 1.9 -92.5 -36.4 36.8 32.2 -10.5 15 13 A S - 0 0 27 1,-0.0 3,-0.5 293,-0.0 -1,-0.2 -0.971 57.6-121.4-145.8 172.7 40.5 32.1 -9.7 16 14 A E S S+ 0 0 48 -2,-0.3 -1,-0.0 1,-0.2 330,-0.0 0.428 100.3 67.3 -84.4 -4.4 43.9 32.6 -11.1 17 15 A L S S+ 0 0 98 2,-0.0 293,-2.8 293,-0.0 -1,-0.2 -0.047 73.0 136.1-112.8 32.9 45.2 29.1 -10.4 18 16 A E B -O 309 0B 33 -3,-0.5 291,-0.3 291,-0.3 2,-0.2 -0.414 64.3 -97.3 -88.2 151.6 43.1 27.2 -12.9 19 17 A E - 0 0 79 289,-3.0 -1,-0.1 -2,-0.1 2,-0.1 -0.487 53.5-102.2 -58.3 133.9 44.0 24.5 -15.3 20 18 A H - 0 0 71 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.377 32.2-138.8 -63.5 132.1 44.5 26.1 -18.7 21 19 A V - 0 0 66 -2,-0.1 400,-0.5 -3,-0.1 401,-0.3 -0.861 21.4-153.6 -96.6 130.4 41.5 25.6 -21.0 22 20 A G - 0 0 41 -2,-0.5 398,-0.1 1,-0.2 3,-0.1 -0.472 25.5 -78.7 -97.9 174.1 42.5 24.8 -24.6 23 21 A D - 0 0 39 -2,-0.2 334,-0.2 1,-0.1 -1,-0.2 -0.136 57.1 -89.5 -59.8 159.8 40.8 25.3 -27.9 24 22 A Q - 0 0 24 332,-2.6 2,-0.4 159,-0.1 159,-0.2 -0.485 44.2-132.2 -68.3 154.1 38.1 22.9 -29.0 25 23 A T B -p 183 0C 69 157,-2.6 159,-2.3 -2,-0.1 160,-0.5 -0.899 21.5-172.0-119.1 141.0 39.3 19.9 -31.0 26 24 A F - 0 0 55 -2,-0.4 2,-0.3 158,-0.2 161,-0.3 -0.651 15.4-132.3-124.8 170.1 37.9 18.6 -34.2 27 25 A V - 0 0 64 159,-1.6 161,-0.3 -2,-0.2 3,-0.1 -0.796 29.7-110.2-122.5 169.1 38.5 15.4 -36.4 28 26 A E S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.839 98.0 12.4 -74.8 -35.0 39.0 15.3 -40.1 29 27 A E S S- 0 0 73 158,-0.1 2,-0.4 157,-0.0 -1,-0.2 -0.999 73.8-124.0-144.6 139.7 35.7 13.7 -41.0 30 28 A S - 0 0 24 -2,-0.3 2,-0.9 -3,-0.1 156,-0.1 -0.675 14.1-147.8 -83.7 134.9 32.4 13.2 -39.0 31 29 A R + 0 0 92 -2,-0.4 176,-2.2 154,-0.3 2,-0.1 -0.571 32.5 171.2-101.3 62.4 31.3 9.6 -38.9 32 30 A F B -Q 206 0D 41 -2,-0.9 2,-1.1 174,-0.3 174,-0.3 -0.473 43.4-122.5 -68.0 147.8 27.6 10.3 -38.9 33 31 A L > - 0 0 29 172,-2.7 3,-1.8 1,-0.2 172,-0.3 -0.833 32.3-166.7 -82.7 93.2 25.0 7.5 -39.2 34 32 A E T 3 S+ 0 0 116 -2,-1.1 -1,-0.2 1,-0.3 172,-0.0 0.708 79.5 64.3 -69.2 -20.8 23.5 9.3 -42.2 35 33 A E T 3 S+ 0 0 143 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.710 84.2 100.7 -69.8 -23.9 20.5 7.0 -42.2 36 34 A D < + 0 0 3 -3,-1.8 2,-0.3 169,-0.2 168,-0.1 -0.212 47.4 176.8 -57.6 150.8 19.5 8.4 -38.8 37 35 A E - 0 0 104 166,-0.1 2,-0.2 167,-0.0 166,-0.1 -0.923 34.8-111.6-155.4 131.6 16.8 11.1 -38.4 38 36 A Q - 0 0 54 -2,-0.3 2,-0.3 164,-0.2 209,-0.1 -0.440 39.4-172.1 -59.4 128.6 15.4 12.7 -35.3 39 37 A R - 0 0 155 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.901 37.4 -78.9-117.6 159.2 11.8 11.6 -34.9 40 38 A E - 0 0 145 -2,-0.3 2,-0.2 1,-0.1 211,-0.1 -0.237 55.2-160.6 -54.7 138.4 9.3 12.9 -32.4 41 39 A G - 0 0 11 209,-0.3 2,-0.4 210,-0.1 210,-0.1 -0.416 13.2-111.2-114.7-177.8 9.9 11.3 -29.0 42 40 A E - 0 0 130 -2,-0.2 213,-0.2 0, 0.0 2,-0.2 -0.951 32.9-105.0-122.0 146.5 7.9 10.8 -25.9 43 41 A I - 0 0 35 -2,-0.4 209,-0.1 211,-0.1 2,-0.1 -0.521 43.2-117.8 -68.0 131.5 8.5 12.4 -22.5 44 42 A L - 0 0 27 207,-0.4 3,-0.1 -2,-0.2 -1,-0.1 -0.417 10.8-147.3 -74.1 146.0 10.1 9.9 -20.2 45 43 A D S S+ 0 0 101 1,-0.3 37,-3.0 36,-0.1 38,-0.4 0.804 80.3 10.4 -80.5 -32.0 8.1 8.9 -17.2 46 44 A Q E -R 81 0D 72 35,-0.2 109,-0.4 36,-0.1 2,-0.3 -0.992 58.3-179.5-146.8 148.4 11.3 8.4 -15.1 47 45 A I E -R 80 0D 0 33,-2.3 33,-3.3 -2,-0.3 2,-0.5 -0.957 16.0-149.1-146.2 135.8 15.0 9.0 -15.2 48 46 A I E -Rs 79 156D 0 107,-2.7 109,-3.0 -2,-0.3 2,-0.5 -0.927 16.2-159.8 -97.8 124.7 17.7 8.3 -12.7 49 47 A F E -Rs 78 157D 1 29,-2.6 29,-2.2 -2,-0.5 2,-0.4 -0.932 3.4-163.8-105.3 136.5 20.6 10.7 -12.8 50 48 A V E +Rs 77 158D 1 107,-2.3 109,-2.9 -2,-0.5 2,-0.3 -0.937 20.8 149.5-120.2 134.5 24.0 9.7 -11.3 51 49 A D E -R 76 0D 5 25,-2.3 25,-2.2 -2,-0.4 2,-0.3 -0.911 28.0-140.0-155.6 172.8 26.8 12.3 -10.5 52 50 A G E -R 75 0D 8 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.933 5.1-156.4-142.3 158.5 29.7 13.0 -8.2 53 51 A K E -R 74 0D 69 21,-1.9 21,-2.5 -2,-0.3 2,-0.3 -0.999 11.3-160.6-139.4 134.5 31.1 16.0 -6.3 54 52 A R E -R 73 0D 42 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.880 9.7-164.3-124.5 152.7 34.6 16.5 -5.2 55 53 A R E -R 72 0D 62 17,-2.2 17,-1.9 -2,-0.3 2,-0.4 -0.986 12.2-155.1-131.0 126.1 36.3 18.7 -2.7 56 54 A S E +R 71 0D 3 -2,-0.4 15,-0.2 15,-0.2 248,-0.1 -0.813 16.6 171.4-104.0 135.6 40.1 19.1 -2.7 57 55 A F E + 0 0 0 13,-3.1 247,-2.8 -2,-0.4 2,-0.4 0.848 53.7 5.0-105.0 -69.2 42.0 20.1 0.4 58 56 A V E -RT 70 303D 0 12,-0.7 12,-2.7 245,-0.2 2,-0.4 -0.969 52.4-149.2-130.9 137.1 45.7 20.1 0.5 59 57 A R E -RT 69 302D 23 243,-3.0 243,-2.1 -2,-0.4 2,-0.3 -0.948 22.7-172.8-104.2 134.1 48.4 19.5 -2.2 60 58 A I E -RT 68 301D 5 8,-3.0 8,-3.0 -2,-0.4 2,-0.4 -0.784 20.5-147.6-121.2 161.3 51.7 18.0 -1.2 61 59 A T E -RT 67 300D 15 239,-1.9 238,-3.2 -2,-0.3 239,-1.4 -0.993 20.7-146.3-123.4 125.7 55.1 17.2 -2.7 62 60 A T E > - T 0 298D 11 4,-2.1 3,-1.1 -2,-0.4 236,-0.2 -0.212 32.7 -99.7 -74.2 174.8 57.0 14.1 -1.4 63 61 A D T 3 S+ 0 0 60 234,-1.2 235,-0.1 1,-0.3 423,-0.1 0.692 126.5 55.3 -68.2 -22.0 60.7 13.8 -1.1 64 62 A E T 3 S- 0 0 47 233,-0.3 -1,-0.3 2,-0.1 234,-0.1 0.456 122.4-109.7 -88.6 -6.0 60.8 11.9 -4.4 65 63 A G < + 0 0 1 -3,-1.1 250,-2.5 1,-0.3 2,-0.5 0.479 66.6 147.9 96.0 5.7 59.0 14.9 -6.0 66 64 A I - 0 0 13 248,-0.2 -4,-2.1 41,-0.1 2,-0.3 -0.632 43.4-135.7 -80.9 122.3 55.6 13.3 -6.5 67 65 A T E -R 61 0D 4 -2,-0.5 38,-0.4 -6,-0.2 2,-0.3 -0.618 27.0-170.2 -73.5 132.0 52.7 15.9 -6.2 68 66 A G E -R 60 0D 0 -8,-3.0 -8,-3.0 -2,-0.3 2,-0.4 -0.921 12.6-153.7-127.7 154.6 49.8 14.6 -4.2 69 67 A I E -RU 59 103D 6 34,-2.1 34,-2.8 -2,-0.3 2,-0.5 -0.979 6.8-149.7-133.5 120.7 46.3 15.8 -3.5 70 68 A F E +RU 58 102D 2 -12,-2.7 -13,-3.1 -2,-0.4 -12,-0.7 -0.772 38.4 149.3 -82.3 129.1 44.1 15.1 -0.5 71 69 A A E -RU 56 101D 0 30,-2.5 30,-2.4 -2,-0.5 2,-0.3 -0.866 39.2-133.4-151.5 173.6 40.5 15.1 -1.5 72 70 A E E -RU 55 100D 0 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.4 -0.992 15.4-160.9-133.8 140.5 37.1 13.7 -0.8 73 71 A L E -RU 54 99D 0 26,-3.1 26,-2.6 -2,-0.3 2,-0.4 -0.977 3.0-169.0-123.9 138.5 34.6 12.4 -3.4 74 72 A C E -RU 53 98D 0 -21,-2.5 -21,-1.9 -2,-0.4 2,-0.4 -0.990 9.7-174.5-129.6 128.4 30.8 12.0 -2.8 75 73 A V E +RU 52 97D 0 22,-2.2 22,-0.7 -2,-0.4 2,-0.3 -0.916 16.5 124.6-127.0 147.9 28.7 10.1 -5.3 76 74 A G E -R 51 0D 2 -25,-2.2 -25,-2.3 -2,-0.4 2,-0.3 -0.966 36.4-108.9-176.2-171.6 25.0 9.4 -5.6 77 75 A A E -R 50 0D 0 -2,-0.3 12,-2.7 -27,-0.2 2,-0.3 -0.951 6.9-156.3-143.4 150.8 21.8 9.6 -7.6 78 76 A V E -RV 49 88D 0 -29,-2.2 -29,-2.6 -2,-0.3 2,-0.5 -0.946 16.7-140.0-117.0 152.6 18.4 11.2 -7.9 79 77 A I E -RV 48 87D 28 8,-2.8 8,-2.9 -2,-0.3 2,-0.5 -0.954 11.8-158.9-110.6 134.3 15.3 9.9 -9.5 80 78 A W E -RV 47 86D 26 -33,-3.3 -33,-2.3 -2,-0.5 2,-0.5 -0.934 8.3-168.7-107.4 132.3 13.3 12.3 -11.5 81 79 A D E > -RV 46 85D 51 4,-1.5 4,-1.2 -2,-0.5 -35,-0.2 -0.985 27.3-135.3-126.6 123.2 9.7 11.2 -12.0 82 80 A R T 4 S+ 0 0 132 -37,-3.0 2,-0.5 -2,-0.5 -36,-0.1 0.767 108.0 45.4 -49.9 -27.4 7.4 13.0 -14.5 83 81 A E T 4 S+ 0 0 168 -38,-0.4 -1,-0.2 2,-0.1 -38,-0.0 -0.900 129.1 15.8-116.1 101.6 4.8 12.9 -11.7 84 82 A G T 4 S- 0 0 63 -2,-0.5 -2,-0.2 -3,-0.1 -1,-0.1 0.382 94.2-142.1 116.3 0.3 6.6 13.9 -8.4 85 83 A G E < +V 81 0D 27 -4,-1.2 -4,-1.5 -5,-0.1 2,-0.3 -0.004 55.3 3.3 38.1-136.4 9.7 15.5 -10.0 86 84 A T E +V 80 0D 44 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.569 54.3 165.7 -99.6 134.5 13.0 14.9 -8.2 87 85 A K E -V 79 0D 116 -8,-2.9 -8,-2.8 -2,-0.3 2,-0.3 -0.998 35.7-115.1-136.2 148.3 14.1 13.0 -5.1 88 86 A T E -V 78 0D 38 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.3 -0.571 14.3-143.3 -75.9 134.4 17.5 11.9 -3.7 89 87 A L S S+ 0 0 63 -12,-2.7 2,-0.3 -2,-0.3 -12,-0.2 -0.400 88.3 48.9 -89.5 48.5 18.1 8.1 -3.7 90 88 A F - 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