==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JUN-08 3DCL . COMPND 2 MOLECULE: TM1086; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.CHRUSZCZ,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS, . 1408 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 942 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 384 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 6 0.4 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 . 114 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 10 0 0 5 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 5 0 5 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 . 33 26 20 0 5 5 10 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 . 6 5 0 0 1 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 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 G 0 0 129 0, 0.0 2,-0.4 0, 0.0 165,-0.1 0.000 360.0 360.0 360.0-166.7 -14.5 44.2 36.9 2 0 A H - 0 0 125 163,-0.1 2,-0.2 3,-0.0 163,-0.0 -0.943 360.0-112.9-115.8 126.8 -16.5 46.2 34.2 3 1 A X - 0 0 26 -2,-0.4 2,-0.4 161,-0.1 157,-0.0 -0.467 33.8-121.7 -62.6 130.3 -14.6 47.8 31.3 4 2 A R + 0 0 121 -2,-0.2 140,-2.0 2,-0.1 141,-0.6 -0.594 44.9 168.8 -68.8 123.2 -14.8 51.7 31.7 5 3 A T B -A 143 0A 31 -2,-0.4 3,-0.3 138,-0.2 138,-0.2 -0.836 49.9-119.7-128.9 170.6 -16.5 53.1 28.5 6 4 A N > + 0 0 18 136,-1.1 3,-2.9 -2,-0.3 4,-0.5 0.020 64.7 136.6 -91.4 22.5 -18.1 56.4 27.3 7 5 A K G > + 0 0 47 1,-0.3 3,-1.3 135,-0.2 -1,-0.2 0.785 63.4 57.6 -40.8 -40.6 -21.4 54.5 26.8 8 6 A D G 3 S+ 0 0 148 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.623 101.5 54.9 -75.0 -13.6 -23.4 57.3 28.3 9 7 A R G < S+ 0 0 112 -3,-2.9 333,-2.8 332,-0.1 -1,-0.3 0.473 85.9 114.0 -90.2 -3.3 -22.2 59.8 25.7 10 8 A L B < -b 342 0B 0 -3,-1.3 2,-0.4 -4,-0.5 333,-0.1 -0.399 63.3-132.8 -76.9 141.9 -23.3 57.6 22.9 11 9 A V - 0 0 2 331,-0.6 2,-0.5 128,-0.4 127,-0.4 -0.815 12.0-155.7 -97.1 131.7 -26.1 58.7 20.5 12 10 A R + 0 0 59 -2,-0.4 318,-1.8 125,-0.1 319,-0.7 -0.944 23.8 171.3-110.3 126.9 -28.9 56.2 19.7 13 11 A I E -CD 136 329C 1 123,-1.9 123,-2.1 -2,-0.5 2,-0.5 -0.964 37.4 -99.9-144.1 147.6 -30.7 56.9 16.4 14 12 A S E -C 135 0C 0 314,-2.0 291,-0.8 -2,-0.3 2,-0.5 -0.599 33.0-172.6 -73.2 119.5 -33.2 55.4 14.0 15 13 A V E -C 134 0C 4 119,-3.0 119,-3.7 -2,-0.5 2,-0.3 -0.966 12.9-159.6-114.2 120.3 -31.6 53.7 11.0 16 14 A V E +C 133 0C 6 -2,-0.5 56,-0.3 117,-0.2 2,-0.3 -0.712 24.4 135.4-106.9 147.8 -34.1 52.6 8.4 17 15 A G E -C 132 0C 1 115,-1.9 115,-2.6 -2,-0.3 2,-0.3 -0.881 37.0-117.6-158.5-160.8 -34.2 50.1 5.5 18 16 A E E -CE 131 70C 44 52,-2.3 52,-2.8 113,-0.3 113,-0.2 -0.968 42.4 -81.0-148.8 155.5 -36.3 47.5 3.9 19 17 A I E - E 0 69C 0 111,-2.2 110,-1.7 -2,-0.3 50,-0.3 -0.433 53.1-132.2 -64.8 127.6 -36.0 43.7 3.4 20 18 A A - 0 0 0 48,-3.1 24,-0.6 24,-0.2 48,-0.3 -0.512 13.9-116.7 -82.5 148.8 -33.8 43.3 0.3 21 19 A P - 0 0 8 0, 0.0 23,-0.8 0, 0.0 2,-0.3 -0.346 42.2 -86.8 -70.6 163.5 -34.6 40.9 -2.6 22 20 A A B -Q 43 0D 5 839,-0.7 2,-0.4 21,-0.4 21,-0.3 -0.583 56.7-146.5 -59.9 133.9 -32.4 38.0 -3.4 23 21 A K + 0 0 50 19,-2.4 19,-0.5 -2,-0.3 2,-0.3 -0.936 29.7 162.1-119.9 134.6 -29.9 39.6 -5.8 24 22 A X - 0 0 11 -2,-0.4 901,-0.2 898,-0.4 905,-0.1 -0.934 20.7-171.5-147.7 126.7 -28.1 38.1 -8.7 25 23 A R S S+ 0 0 244 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.591 85.8 12.3 -90.2 -13.0 -26.3 40.0 -11.5 26 24 A S S S- 0 0 49 1,-0.1 -1,-0.2 2,-0.1 903,-0.0 -0.969 71.9-123.3-149.6 154.0 -25.9 36.8 -13.5 27 25 A P S S+ 0 0 11 0, 0.0 12,-0.5 0, 0.0 2,-0.3 0.869 96.7 71.8 -62.5 -29.7 -27.3 33.3 -13.2 28 26 A Y - 0 0 43 10,-0.2 2,-0.4 -3,-0.1 10,-0.2 -0.591 63.9-159.1 -93.4 140.8 -23.7 32.1 -13.0 29 27 A S E -R 37 0E 12 8,-2.7 8,-2.0 -2,-0.3 2,-0.4 -0.970 24.5-132.7-108.6 133.3 -21.1 32.4 -10.3 30 28 A V E -R 36 0E 79 -2,-0.4 6,-0.2 6,-0.2 221,-0.1 -0.751 20.7-144.3 -90.8 128.5 -17.5 32.1 -11.5 31 29 A T > - 0 0 15 4,-3.2 3,-1.4 -2,-0.4 219,-0.2 -0.278 28.0-104.9 -84.2 172.7 -15.2 29.8 -9.5 32 30 A T T 3 S+ 0 0 65 217,-1.2 218,-0.1 1,-0.3 -1,-0.1 0.750 123.5 56.9 -65.7 -24.5 -11.5 30.0 -8.6 33 31 A E T 3 S- 0 0 143 2,-0.1 -1,-0.3 218,-0.0 3,-0.1 0.370 121.3-108.8 -87.8 1.4 -11.1 27.2 -11.3 34 32 A G S < S+ 0 0 62 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.804 78.9 125.5 73.9 29.3 -12.7 29.4 -14.0 35 33 A T - 0 0 73 -6,-0.0 -4,-3.2 2,-0.0 2,-0.4 -0.734 55.3-122.6-110.4 164.1 -15.9 27.3 -14.1 36 34 A V E -R 30 0E 50 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.863 22.6-175.1-113.0 144.5 -19.5 28.5 -13.7 37 35 A R E -R 29 0E 67 -8,-2.0 -8,-2.7 -2,-0.4 2,-0.7 -0.977 23.0-136.7-133.3 147.3 -22.1 27.3 -11.3 38 36 A V + 0 0 29 -2,-0.3 -10,-0.2 -10,-0.2 949,-0.0 -0.867 50.4 135.1-105.2 100.1 -25.8 28.2 -10.9 39 37 A I - 0 0 3 -2,-0.7 21,-0.2 -12,-0.5 948,-0.1 -0.939 57.4 -83.7-142.2 157.1 -26.4 28.7 -7.2 40 38 A P - 0 0 3 0, 0.0 21,-1.9 0, 0.0 23,-0.2 -0.342 46.6-179.6 -60.5 148.7 -28.2 31.0 -4.7 41 39 A V - 0 0 19 1,-0.3 23,-0.4 19,-0.2 -17,-0.1 0.021 32.5 -32.2-124.5-136.2 -26.3 34.1 -3.6 42 40 A L S S+ 0 0 16 -19,-0.5 -19,-2.4 21,-0.2 -1,-0.3 -0.222 85.3 41.5 -93.3 174.2 -26.9 37.2 -1.3 43 41 A G B S+Q 22 0D 0 -21,-0.3 -21,-0.4 19,-0.2 21,-0.3 -0.249 71.1 67.2 89.3-174.2 -30.0 39.2 -0.3 44 42 A G S S- 0 0 0 -23,-0.8 24,-2.2 -24,-0.6 2,-0.6 0.064 95.0 -51.0 68.9-173.5 -33.5 38.1 0.6 45 43 A I E -F 67 0C 0 22,-0.2 816,-1.8 816,-0.1 2,-0.7 -0.957 54.0-156.7 -98.0 111.7 -34.9 36.2 3.5 46 44 A T E -FG 66 860C 1 20,-2.7 20,-0.6 -2,-0.6 3,-0.5 -0.858 6.0-166.8 -97.4 115.7 -32.8 33.0 3.7 47 45 A Y S S+ 0 0 29 812,-1.9 -1,-0.1 -2,-0.7 813,-0.1 0.718 77.0 34.3 -80.3 -24.5 -34.9 30.5 5.5 48 46 A N S S+ 0 0 45 811,-0.7 2,-0.4 18,-0.1 -1,-0.2 0.164 101.8 74.8-125.9 18.4 -32.4 27.7 6.3 49 47 A V + 0 0 2 -3,-0.5 17,-2.3 810,-0.2 2,-0.3 -0.991 58.9 162.6-132.1 123.4 -29.2 29.5 7.0 50 48 A K > - 0 0 97 -2,-0.4 3,-2.4 15,-0.3 165,-0.2 -0.933 47.8 -75.9-140.6 157.9 -28.8 31.4 10.3 51 49 A V T 3 S+ 0 0 6 -2,-0.3 165,-0.2 1,-0.2 3,-0.1 -0.296 119.5 38.1 -52.4 133.4 -26.2 32.9 12.6 52 50 A G T 3 S+ 0 0 18 163,-2.0 -1,-0.2 1,-0.5 164,-0.1 0.018 93.3 111.5 104.6 -25.3 -24.5 30.0 14.4 53 51 A D S < S- 0 0 40 -3,-2.4 162,-3.0 1,-0.1 -1,-0.5 -0.359 82.3 -84.3 -70.8 159.4 -24.6 27.8 11.3 54 52 A S B -S 214 0F 28 160,-0.3 160,-0.3 1,-0.1 -1,-0.1 -0.324 24.8-141.0 -58.7 144.4 -21.4 26.8 9.5 55 53 A A S S+ 0 0 1 158,-2.9 192,-3.2 191,-0.1 3,-0.2 0.613 86.6 59.2 -78.7 -17.5 -20.1 29.3 7.0 56 54 A Y S S+ 0 0 21 157,-0.5 -2,-0.1 190,-0.2 3,-0.1 -0.538 77.5 53.0-107.9 172.6 -19.2 26.3 4.8 57 55 A G S S+ 0 0 45 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.719 73.8 123.1 73.6 22.4 -21.1 23.4 3.3 58 56 A W - 0 0 48 -3,-0.2 2,-1.9 2,-0.2 -1,-0.3 -0.946 66.9-129.0-110.6 139.1 -23.8 25.3 1.5 59 57 A A B S+t 857 0G 0 797,-2.9 799,-0.5 -2,-0.4 2,-0.3 -0.628 82.6 82.9 -79.2 79.2 -24.4 25.1 -2.3 60 58 A G S S- 0 0 4 -2,-1.9 2,-0.4 -21,-0.2 -19,-0.2 -0.970 70.2-125.9-169.8 171.6 -24.3 28.9 -2.5 61 59 A D S S- 0 0 9 -21,-1.9 187,-0.2 -2,-0.3 3,-0.1 -0.999 86.9 -7.0-137.2 133.3 -22.1 32.0 -2.7 62 60 A H S S- 0 0 22 185,-1.0 -19,-0.2 -2,-0.4 186,-0.1 0.794 82.0-176.8 55.9 26.3 -22.1 35.0 -0.3 63 61 A V - 0 0 0 184,-0.6 183,-2.6 -23,-0.2 -21,-0.2 -0.412 14.3-148.4 -64.4 128.6 -25.1 33.6 1.3 64 62 A E - 0 0 0 -23,-0.4 -18,-0.2 -21,-0.3 181,-0.1 -0.875 16.1-123.9-101.2 122.4 -26.3 36.0 4.0 65 63 A P - 0 0 3 0, 0.0 51,-0.3 0, 0.0 -15,-0.3 -0.346 68.0 -19.3 -66.1 149.2 -28.0 34.4 7.1 66 64 A G E S+F 46 0C 8 -17,-2.3 -20,-2.7 -20,-0.6 2,-0.5 -0.295 118.5 0.7 63.1-127.9 -31.5 35.4 8.1 67 65 A V E -FH 45 116C 0 49,-2.8 49,-2.3 -22,-0.2 2,-0.5 -0.848 58.5-150.7-109.0 123.2 -32.8 38.7 6.8 68 66 A S E - H 0 115C 0 -24,-2.2 -48,-3.1 -2,-0.5 2,-0.5 -0.813 14.8-160.5 -91.1 128.9 -30.9 41.0 4.5 69 67 A V E -EH 19 114C 0 45,-2.8 45,-2.6 -2,-0.5 -50,-0.2 -0.944 9.7-176.8-118.1 122.2 -31.8 44.7 4.9 70 68 A X E -E 18 0C 41 -52,-2.8 -52,-2.3 -2,-0.5 43,-0.1 -0.679 31.5 -90.6-112.6 171.5 -31.0 47.3 2.3 71 69 A A - 0 0 4 41,-0.4 -54,-0.2 -54,-0.2 3,-0.1 -0.393 25.5-125.1 -79.2 154.9 -31.5 51.1 2.1 72 70 A R S S- 0 0 64 -56,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.729 94.4 -5.0 -66.3 -25.2 -34.7 52.8 0.7 73 71 A R S > S- 0 0 117 1,-0.1 3,-1.6 0, 0.0 -1,-0.2 -0.963 81.7 -94.7-163.1 165.8 -32.4 54.7 -1.7 74 72 A K G > S+ 0 0 159 -2,-0.3 3,-2.0 1,-0.3 4,-0.5 0.841 117.7 60.7 -57.1 -42.6 -28.7 55.2 -2.4 75 73 A E G 3 S+ 0 0 142 1,-0.3 232,-0.4 2,-0.1 -1,-0.3 0.689 103.6 53.0 -59.3 -21.6 -28.4 58.3 -0.3 76 74 A E G <> S+ 0 0 15 -3,-1.6 4,-1.5 1,-0.1 -1,-0.3 0.390 86.0 85.9 -96.5 2.0 -29.4 56.3 2.7 77 75 A E H <> S+ 0 0 38 -3,-2.0 4,-2.6 -4,-0.2 5,-0.3 0.914 81.9 56.3 -70.2 -46.0 -26.8 53.5 2.3 78 76 A I H > S+ 0 0 64 -4,-0.5 4,-2.4 229,-0.2 5,-0.3 0.937 111.8 41.3 -56.8 -50.7 -23.9 55.2 4.2 79 77 A P H >>S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.6 0.922 113.6 53.9 -66.7 -39.0 -25.8 55.7 7.4 80 78 A L H X5S+ 0 0 1 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.967 117.7 36.1 -52.7 -52.7 -27.4 52.3 7.2 81 79 A X H <5S+ 0 0 3 -4,-2.6 -1,-0.2 2,-0.1 -3,-0.2 0.764 122.3 44.8 -74.3 -29.7 -24.0 50.6 6.9 82 80 A T H <5S+ 0 0 0 -4,-2.4 71,-0.2 -5,-0.3 -2,-0.2 0.945 118.0 36.5 -82.6 -48.5 -22.1 53.0 9.2 83 81 A L H <5S+ 0 0 5 -4,-2.3 54,-0.4 -5,-0.3 56,-0.3 0.740 90.1 99.4 -85.0 -24.7 -24.4 53.3 12.2 84 82 A S << - 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