==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEASE) 03-JUN-91 1HGT . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,E.SKRZYPCZAK-JANKUN . 299 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 2 0 0 0 0 0 0 0 1 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 . 4 5 0 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 1 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 1HL T 0 0 12 0, 0.0 5,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -48.0 19.0 13.3 18.7 2 1GL F B > +A 5 0A 97 3,-1.4 3,-5.8 1,-0.2 155,-0.8 0.117 360.0 75.0-131.3-118.2 20.1 12.7 22.3 3 1FL G T 3 S- 0 0 35 1,-0.3 -1,-0.2 153,-0.1 156,-0.2 0.023 135.8 -23.4 -25.7 89.2 19.8 14.7 25.5 4 1EL S T 3 S- 0 0 29 154,-0.3 -1,-0.3 -3,-0.1 155,-0.1 0.811 123.5 -86.4 55.3 41.5 16.2 14.1 26.2 5 1DL G B < S-A 2 0A 2 -3,-5.8 -3,-1.4 153,-0.2 151,-0.2 -0.217 71.7 -24.3 74.2-142.4 15.9 13.4 22.5 6 1CL E S S- 0 0 50 149,-0.4 -4,-0.2 -5,-0.3 -1,-0.1 0.993 75.0 -98.2 -74.6 -80.7 15.4 15.4 19.3 7 1BL A S S+ 0 0 75 147,-0.1 149,-0.0 -6,-0.1 -1,-0.0 -0.056 120.0 26.1-176.5 -53.9 13.5 18.8 19.8 8 1AL D S > S+ 0 0 63 147,-0.1 3,-2.2 3,-0.0 148,-0.1 0.033 101.3 156.2-104.6 9.1 9.9 18.3 18.9 9 1 L a T 3 + 0 0 3 1,-0.3 146,-0.2 146,-0.1 147,-0.1 0.019 57.7 8.0 -46.6 142.1 10.8 14.8 19.9 10 2 L G T 3 S+ 0 0 0 144,-2.7 241,-1.5 1,-0.2 2,-0.7 0.500 92.6 121.6 58.3 15.6 8.1 12.5 21.1 11 3 L L < - 0 0 31 -3,-2.2 -1,-0.2 143,-0.3 239,-0.1 -0.920 57.7-142.9-105.4 99.7 5.3 14.9 20.1 12 4 L R > > - 0 0 0 -2,-0.7 5,-2.7 1,-0.1 3,-1.1 -0.479 7.1-143.2 -70.5 128.6 3.2 13.0 17.6 13 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.889 102.5 40.8 -54.2 -41.1 1.7 14.9 14.7 14 6 L L T 3 5S+ 0 0 27 136,-0.5 34,-0.1 33,-0.3 -2,-0.1 0.553 131.3 18.6 -88.6 -5.6 -1.6 12.9 14.8 15 7 L F T X>>S+ 0 0 14 -3,-1.1 5,-2.7 32,-0.2 3,-1.4 0.573 128.3 26.7-124.7 -88.2 -1.9 12.8 18.6 16 8 L E G >45S+ 0 0 25 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.855 121.7 56.4 -46.7 -50.4 -0.1 15.1 21.0 17 9 L K G 34> S+ 0 0 14 2,-0.1 3,-1.7 1,-0.1 4,-0.9 0.511 84.5 105.1-133.5 -1.9 -4.6 2.9 25.2 25 14CL E H >> S+ 0 0 7 -3,-0.3 4,-1.8 1,-0.3 3,-0.8 0.753 78.2 66.0 -42.3 -45.6 -2.3 5.7 26.2 26 14DL R H 3> S+ 0 0 98 -4,-0.5 4,-3.3 1,-0.2 -1,-0.3 0.807 92.2 59.2 -48.8 -38.6 -4.5 6.1 29.3 27 14EL E H <> S+ 0 0 37 -3,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.935 107.6 47.7 -59.2 -40.2 -3.5 2.6 30.6 28 14FL L H XX S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.8 4,-0.8 0.984 114.4 43.6 -62.0 -58.5 0.1 3.9 30.6 29 14GL L H ><>S+ 0 0 20 -4,-1.8 5,-1.3 1,-0.3 3,-1.1 0.906 108.9 59.0 -57.2 -40.7 -0.7 7.2 32.4 30 14HL E H 3<5S+ 0 0 113 -4,-3.3 3,-0.4 1,-0.2 -1,-0.3 0.704 102.6 54.0 -67.5 -9.6 -2.9 5.4 34.8 31 14IL S H <<5S+ 0 0 23 -3,-1.9 -1,-0.2 -4,-0.6 -2,-0.2 0.597 99.7 59.9 -95.5 -14.5 0.1 3.2 35.9 32 14JL Y T <<5S- 0 0 11 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.078 136.8 -90.9 -95.9 18.2 2.1 6.3 36.7 33 14KL I T 5S- 0 0 135 -3,-0.4 -3,-0.2 0, 0.0 -2,-0.2 0.942 89.2 -45.2 68.5 42.0 -0.6 7.0 39.2 34 14LL D S - 0 0 63 -2,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.436 47.6 -80.7 -81.1 160.1 -3.4 3.2 15.0 46 24 H I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.503 117.5 5.5 -63.9 135.1 -2.0 5.2 12.1 47 25 H G T 3 S+ 0 0 10 -2,-0.2 -33,-0.3 104,-0.1 -1,-0.3 0.561 91.3 123.9 65.5 17.2 0.8 7.5 13.4 48 26 H M S < S+ 0 0 5 -3,-1.6 -2,-0.1 1,-0.3 -36,-0.1 0.861 85.3 24.8 -74.0 -30.1 0.7 6.0 16.9 49 27 H S S > S+ 0 0 16 -4,-0.4 3,-2.2 1,-0.1 -1,-0.3 -0.633 70.8 166.3-138.0 72.8 4.4 5.1 16.8 50 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.623 74.5 57.6 -68.9 -14.3 5.9 7.5 14.3 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.471 79.0 124.9 -92.2 -4.3 9.5 6.7 15.4 52 30 H Q E < -L 68 0D 3 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.333 42.5-168.0 -63.7 133.6 9.0 3.0 14.6 53 31 H V E -LM 67 100D 0 14,-2.4 14,-0.9 47,-0.1 2,-0.5 -0.949 17.9-142.4-127.3 151.3 11.5 1.6 12.1 54 32 H M E -LM 66 99D 0 45,-2.0 45,-2.2 -2,-0.4 2,-0.7 -0.929 9.8-149.5-112.3 127.6 11.8 -1.5 10.0 55 33 H L E -LM 65 98D 0 10,-3.0 9,-3.6 -2,-0.5 10,-1.3 -0.910 30.3-166.1 -92.7 112.0 15.3 -3.0 9.6 56 34 H F E -LM 63 97D 0 41,-3.7 41,-3.7 -2,-0.7 2,-0.5 -0.923 21.0-133.1-128.7 128.9 15.0 -4.6 6.2 57 35 H R E > -LM 62 96D 77 5,-3.9 5,-1.0 -2,-0.5 39,-0.2 -0.582 5.8-155.9 -74.5 115.3 17.0 -7.1 4.3 58 36 H K T 5S+ 0 0 58 37,-1.3 -1,-0.2 -2,-0.5 38,-0.1 0.987 80.2 42.8 -59.4 -63.2 17.7 -6.2 0.7 59 36AH S T 5S+ 0 0 103 36,-0.4 -1,-0.2 2,-0.1 2,-0.2 -0.961 123.1 22.5-146.9 128.4 18.2 -9.9 -0.3 60 37 H P T 5S- 0 0 70 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.631 109.3-123.6 -55.4 156.7 16.5 -12.1 0.6 61 38 H Q T 5 + 0 0 54 -2,-0.2 2,-0.4 233,-0.1 -3,-0.2 -0.674 56.9 140.9 -80.8 100.1 14.0 -9.2 1.0 62 39 H E E < -L 57 0D 67 -2,-1.1 -5,-3.9 -5,-1.0 2,-0.6 -0.982 59.7-102.8-155.8 163.9 13.1 -9.5 4.7 63 40 H L E +L 56 0D 35 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.690 35.3 167.4 -76.1 115.9 12.2 -8.1 8.0 64 41 H L E - 0 0 26 -9,-3.6 2,-0.3 -2,-0.6 171,-0.2 0.800 58.0 -33.8-101.5 -35.5 15.2 -8.5 10.3 65 42 H b E -L 55 0D 4 -10,-1.3 -10,-3.0 171,-0.1 -1,-0.4 -0.989 53.9 -97.1-171.1 169.3 14.2 -6.3 13.3 66 43 H G E +L 54 0D 2 171,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.337 41.9 165.1 -86.5 177.9 12.4 -3.2 14.7 67 44 H A E -L 53 0D 0 -14,-0.9 -14,-2.4 10,-0.1 2,-0.3 -0.852 22.7-124.7-176.6-177.8 14.5 0.0 15.4 68 45 H S E -LN 52 76D 0 8,-1.7 8,-3.1 -2,-0.3 2,-0.5 -0.991 10.1-119.8-155.2 151.7 13.6 3.7 16.0 69 46 H L E + N 0 75D 0 -18,-2.1 86,-2.5 -2,-0.3 6,-0.2 -0.797 28.8 165.0 -93.2 120.1 14.3 7.3 14.9 70 47 H I S S+ 0 0 0 4,-1.7 2,-0.3 -2,-0.5 87,-0.2 0.234 76.2 1.3-112.5 -5.6 15.8 9.6 17.5 71 48 H S S S- 0 0 0 3,-0.9 3,-0.3 85,-0.1 -1,-0.2 -0.931 89.7 -86.0-167.2 176.6 16.8 12.2 14.9 72 49 H D S S+ 0 0 36 -2,-0.3 74,-3.1 1,-0.2 72,-0.1 0.451 127.7 25.9 -75.0 -4.2 16.4 12.8 11.1 73 50 H R S S+ 0 0 29 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.356 109.0 79.6-134.4 0.5 19.6 10.9 10.5 74 51 H W E - O 0 141D 0 -3,-0.3 -4,-1.7 67,-0.2 -3,-0.9 -0.947 48.9-171.2-123.2 133.8 20.0 8.4 13.5 75 52 H V E -NO 69 140D 0 65,-2.4 65,-1.9 -2,-0.4 2,-0.4 -0.979 12.6-147.0-124.7 139.2 18.3 5.1 14.2 76 53 H L E +NO 68 139D 0 -8,-3.1 -8,-1.7 -2,-0.4 2,-0.2 -0.891 32.6 146.5-104.5 128.6 18.5 3.2 17.4 77 54 H T E - O 0 138D 0 61,-2.5 61,-1.6 -2,-0.4 2,-0.4 -0.827 51.1 -81.2-144.3-178.8 18.4 -0.7 17.3 78 55 H A >> - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.5 -0.769 29.8-135.0 -88.8 135.7 19.8 -3.7 19.1 79 56 H A H >> S+ 0 0 0 -2,-0.4 4,-3.2 1,-0.2 3,-1.3 0.822 102.8 68.1 -59.1 -29.3 23.4 -4.7 18.2 80 57 H H H 34 S+ 0 0 22 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.798 90.0 61.2 -65.8 -23.3 22.1 -8.4 18.1 81 58 H b H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.706 117.9 30.8 -69.0 -24.2 20.1 -7.6 15.0 82 59 H L H << S+ 0 0 0 -3,-1.3 9,-3.0 -4,-0.5 2,-0.5 0.865 125.9 36.1 -97.9 -48.7 23.4 -6.7 13.3 83 60 H L E < +R 90 0E 42 -4,-3.2 -1,-0.3 7,-0.2 7,-0.3 -0.935 53.4 144.5-120.2 116.1 25.9 -8.9 14.9 84 60AH Y E > > -R 89 0E 49 5,-3.9 5,-3.3 -2,-0.5 3,-1.3 -0.557 15.7-179.5-149.1 80.1 25.4 -12.5 16.0 85 60BH P G > 5S+ 0 0 42 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.845 83.1 57.0 -47.0 -46.0 28.5 -14.7 15.6 86 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.880 115.1 38.8 -57.3 -39.9 27.0 -17.8 16.9 87 60DH W G < 5S- 0 0 187 -3,-1.3 3,-0.1 2,-0.1 -3,-0.0 0.237 115.6-119.3 -92.8 14.3 24.3 -17.4 14.2 88 60EH D T < 5 + 0 0 147 -3,-2.5 2,-0.5 1,-0.2 -5,-0.0 0.765 62.0 155.7 56.1 23.9 26.9 -16.3 11.9 89 60FH K E < +R 84 0E 43 -5,-3.3 -5,-3.9 -9,-0.1 -1,-0.2 -0.773 7.2 148.3 -92.2 127.2 25.0 -13.0 11.6 90 60GH N E -R 83 0E 110 -2,-0.5 -7,-0.2 -7,-0.3 2,-0.2 -0.467 24.4-166.4-156.9 79.3 27.0 -10.0 10.6 91 60HH F - 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