==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-DEC-97 1A2C . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.RIOS-STEINER,M.MURAKAMI,A.TULINSKY . 300 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 59.7 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 . 76 25.3 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 . 2 0.7 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 . 1 0.3 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.3 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 0 2 0 1 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 4 1 3 3 1 1 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 17 0, 0.0 4,-0.5 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0-138.6 20.0 12.7 19.2 2 1GL F T 4 + 0 0 104 2,-0.2 155,-0.4 1,-0.1 3,-0.2 0.555 360.0 31.4 -67.8-141.2 21.9 13.6 22.4 3 1FL G T 4 S- 0 0 31 1,-0.2 156,-0.1 153,-0.1 -1,-0.1 0.122 139.0 -24.1 -22.9 106.9 20.7 15.2 25.6 4 1EL S T 4 S- 0 0 24 154,-0.5 -1,-0.2 152,-0.1 -2,-0.2 0.821 108.1 -80.8 33.9 83.5 17.1 13.9 25.7 5 1DL G S < S- 0 0 0 -4,-0.5 151,-0.2 -3,-0.2 66,-0.1 0.316 79.0 -25.2 29.6-143.8 16.5 13.2 22.0 6 1CL E - 0 0 48 149,-0.5 65,-0.1 64,-0.2 150,-0.1 0.757 58.5 -91.3 -71.2-148.7 15.6 16.0 19.6 7 1BL A S S+ 0 0 79 149,-0.0 64,-0.0 -6,-0.0 149,-0.0 0.691 125.8 16.2-101.5 -60.2 14.1 19.4 19.2 8 1AL D S > S+ 0 0 49 147,-0.0 3,-1.2 2,-0.0 148,-0.1 0.069 98.1 158.4-103.9 21.9 10.5 18.4 18.5 9 1 L a T 3 + 0 0 1 1,-0.2 146,-0.2 -5,-0.1 3,-0.1 -0.135 58.2 5.2 -55.2 144.1 11.2 14.9 19.8 10 2 L G T 3 S+ 0 0 0 144,-2.6 240,-1.4 239,-0.1 2,-0.6 0.393 88.9 115.8 66.5 7.9 8.3 12.8 21.0 11 3 L L < - 0 0 34 -3,-1.2 -1,-0.1 143,-0.2 238,-0.1 -0.941 60.3-143.2-111.8 102.6 5.3 15.0 20.0 12 4 L R > > - 0 0 0 -2,-0.6 3,-2.1 1,-0.1 5,-1.5 -0.888 7.5-135.3 -75.9 133.4 3.5 13.0 17.4 13 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.834 103.2 44.5 -57.6 -33.2 2.0 15.0 14.6 14 6 L L T 3 5S+ 0 0 32 136,-0.5 34,-0.1 33,-0.3 32,-0.0 0.347 127.7 17.5 -99.8 5.6 -1.3 13.0 14.8 15 7 L F T X>>S+ 0 0 14 -3,-2.1 5,-4.3 32,-0.1 3,-0.7 0.477 127.8 29.1-134.2 -74.8 -1.9 12.9 18.5 16 8 L E G >45S+ 0 0 28 -4,-0.4 3,-1.3 3,-0.2 -2,-0.1 0.915 119.5 53.9 -56.7 -58.3 -0.0 15.4 20.8 17 9 L K G 34> S+ 0 0 22 1,-0.1 3,-4.4 2,-0.1 4,-0.8 0.599 83.4 101.0-124.4 -11.3 -4.4 3.0 25.3 25 14CL E H 3> S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.775 78.6 68.1 -34.4 -47.3 -2.0 5.8 26.4 26 14DL R H 3> S+ 0 0 95 -4,-0.5 4,-2.7 1,-0.2 -1,-0.3 0.811 92.8 59.4 -37.7 -51.2 -4.4 6.3 29.3 27 14EL E H <4 S+ 0 0 25 -3,-4.4 4,-0.2 2,-0.2 -1,-0.2 0.942 107.0 45.6 -44.9 -53.5 -3.1 2.9 30.5 28 14FL L H >X S+ 0 0 0 -4,-0.8 3,-2.1 -3,-0.4 4,-0.6 0.970 114.6 46.5 -50.4 -63.6 0.4 4.2 30.6 29 14GL L H ><>S+ 0 0 22 -4,-2.2 5,-1.6 1,-0.3 3,-0.8 0.795 104.9 61.3 -50.6 -45.5 -0.5 7.5 32.4 30 14HL E T 3<5S+ 0 0 114 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.459 103.1 50.6 -60.6 -16.4 -2.6 5.8 34.9 31 14IL S T <45S+ 0 0 26 -3,-2.1 2,-1.5 -4,-0.2 -1,-0.2 0.451 88.0 74.0 -94.9 -29.6 0.3 3.8 36.3 32 14JL Y T <<5S- 0 0 11 -3,-0.8 -1,-0.1 -4,-0.6 -3,-0.1 -0.450 138.5 -91.9 -76.3 39.5 2.8 6.6 36.8 33 14KL I T 5S- 0 0 137 -2,-1.5 2,-0.2 -5,-0.1 -3,-0.2 0.733 91.1 -37.8 29.1 48.6 0.3 6.6 39.3 34 14LL D S - 0 0 54 1,-0.1 3,-1.6 2,-0.1 2,-0.3 -0.160 50.2 -77.6 -70.5 159.1 -3.2 3.2 15.2 46 24 H I T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.638 118.3 3.1 -65.4 139.1 -2.1 5.1 12.2 47 25 H G T 3 S+ 0 0 12 -2,-0.3 -33,-0.3 104,-0.1 -1,-0.3 0.523 90.7 128.0 50.2 34.2 0.9 7.3 13.1 48 26 H M S < S+ 0 0 3 -3,-1.6 -2,-0.1 1,-0.3 -26,-0.1 0.670 81.0 30.1 -79.8 -21.4 0.9 6.0 16.7 49 27 H S > + 0 0 15 -4,-0.3 3,-1.6 102,-0.1 -1,-0.3 -0.594 65.7 165.5-137.6 65.0 4.7 5.2 16.5 50 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.4 0, 0.0 105,-0.1 0.636 79.3 56.9 -60.8 -12.2 6.3 7.7 14.0 51 29 H W T 3 S+ 0 0 4 101,-0.2 18,-1.3 103,-0.1 104,-0.2 0.681 77.7 116.6 -99.6 -2.3 9.7 6.7 15.3 52 30 H Q E < -K 68 0C 4 -3,-1.6 49,-0.8 16,-0.2 2,-0.3 -0.288 45.9-170.5 -72.3 121.4 9.2 2.9 14.5 53 31 H V E -KL 67 100C 0 14,-1.5 14,-0.9 47,-0.2 2,-0.6 -0.898 16.8-140.3-121.0 139.6 11.8 1.8 11.9 54 32 H M E -KL 66 99C 0 45,-2.0 45,-1.9 -2,-0.3 2,-0.6 -0.975 9.7-147.7-103.3 118.8 11.9 -1.6 10.1 55 33 H L E -KL 65 98C 0 10,-3.8 9,-2.9 -2,-0.6 10,-1.3 -0.848 28.5-170.9 -84.7 119.9 15.4 -3.0 9.6 56 34 H F E -KL 63 97C 0 41,-2.2 41,-2.4 -2,-0.6 2,-0.4 -0.951 22.2-131.1-125.4 130.8 15.0 -4.8 6.3 57 35 H R E > -KL 62 96C 75 5,-5.3 5,-0.8 -2,-0.4 39,-0.2 -0.591 10.9-150.5 -78.6 128.8 17.3 -7.2 4.4 58 36 H K E > 5S+K 61 0C 33 37,-1.5 3,-0.5 -2,-0.4 -1,-0.1 0.909 79.4 48.8 -63.8 -41.1 17.8 -6.3 0.8 59 36AH S T 3 5S+ 0 0 101 1,-0.6 -1,-0.2 36,-0.5 2,-0.2 -0.827 122.6 21.3-152.2 108.0 18.4 -9.9 -0.4 60 37 H P T 3 5S- 0 0 82 0, 0.0 2,-0.6 0, 0.0 -1,-0.6 0.495 109.4-126.7 -64.1 135.3 16.5 -12.1 0.4 61 38 H Q E < 5 +K 58 0C 60 -3,-0.5 2,-0.3 -2,-0.2 232,-0.2 -0.599 56.2 141.3 -63.5 104.2 14.3 -9.0 0.9 62 39 H E E < -K 57 0C 67 -5,-0.8 -5,-5.3 -2,-0.6 2,-0.4 -0.984 59.3 -99.6-154.4 150.9 13.2 -9.6 4.5 63 40 H L E +K 56 0C 22 -7,-0.3 -7,-0.3 -2,-0.3 3,-0.1 -0.610 34.7 175.3 -67.0 118.8 12.5 -7.9 7.8 64 41 H L E - 0 0 28 -9,-2.9 2,-0.3 -2,-0.4 170,-0.2 0.860 57.5 -44.9 -89.2 -52.5 15.5 -8.4 10.1 65 42 H b E -K 55 0C 6 -10,-1.3 -10,-3.8 170,-0.1 -1,-0.3 -0.896 55.7 -89.8-163.5-176.8 14.4 -6.3 13.1 66 43 H G E +K 54 0C 3 170,-2.8 12,-0.3 -2,-0.3 2,-0.3 -0.417 37.5 177.1 -96.9-164.2 12.8 -3.1 14.4 67 44 H A E -K 53 0C 0 -14,-0.9 -14,-1.5 -2,-0.2 2,-0.4 -0.908 23.6-116.0 169.2 164.9 14.6 0.1 15.3 68 45 H S E -KM 52 76C 0 8,-1.6 8,-2.4 -2,-0.3 2,-0.6 -0.975 17.6-128.6-131.1 145.0 13.8 3.7 16.5 69 46 H L E + M 0 75C 0 -18,-1.3 86,-2.3 -2,-0.4 6,-0.3 -0.941 28.2 172.5 -89.4 125.0 14.4 7.1 14.7 70 47 H I - 0 0 0 4,-3.3 2,-0.2 -2,-0.6 -64,-0.2 0.485 68.0 -12.0-119.1 6.4 16.3 9.4 17.1 71 48 H S S S- 0 0 2 3,-1.2 84,-0.1 -66,-0.1 -1,-0.1 -0.836 89.1 -80.9-179.0-174.9 17.0 12.4 14.8 72 49 H D S S+ 0 0 42 -2,-0.2 74,-1.6 1,-0.2 72,-0.1 0.593 129.7 33.1 -83.0 -8.0 16.7 12.8 11.0 73 50 H R S S+ 0 0 19 72,-0.2 69,-3.6 1,-0.1 2,-0.4 0.430 110.1 70.3-115.0 -11.6 20.1 11.0 10.4 74 51 H W E - N 0 141C 0 67,-0.2 -4,-3.3 65,-0.0 -3,-1.2 -0.962 47.8-178.4-121.4 140.5 20.2 8.4 13.3 75 52 H V E -MN 69 140C 0 65,-2.7 65,-1.9 -2,-0.4 2,-0.4 -0.931 16.1-146.9-126.5 141.8 18.4 5.2 14.0 76 53 H L E +MN 68 139C 0 -8,-2.4 -8,-1.6 -2,-0.3 2,-0.2 -0.921 27.6 150.2-120.6 135.9 18.9 3.0 17.2 77 54 H T E - N 0 138C 0 61,-2.4 61,-1.5 -2,-0.4 2,-0.3 -0.885 50.3 -73.1-150.7 175.3 18.6 -0.8 17.3 78 55 H A > - 0 0 0 -12,-0.3 3,-1.2 -2,-0.2 4,-0.5 -0.645 35.1-133.9 -72.4 143.5 20.0 -3.9 19.2 79 56 H A G >> S+ 0 0 0 1,-0.3 4,-2.0 -2,-0.3 3,-1.7 0.870 103.7 67.7 -66.6 -25.0 23.6 -4.8 18.2 80 57 H H G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.871 88.6 66.0 -67.4 -19.2 22.5 -8.5 17.9 81 58 H b G <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.2 10,-0.2 0.812 115.1 29.5 -59.9 -25.6 20.4 -7.5 14.8 82 59 H L T <4 S+ 0 0 2 -3,-1.7 9,-3.4 -4,-0.5 2,-0.4 0.897 127.4 29.0-104.1 -39.4 23.7 -6.7 13.1 83 60 H L E < +Q 90 0D 42 -4,-2.0 7,-0.3 7,-0.3 -1,-0.3 -0.982 47.2 144.0-137.6 125.8 26.3 -9.1 14.6 84 60AH Y E > > -Q 89 0D 31 5,-4.4 5,-2.7 -2,-0.4 3,-1.9 -0.710 21.9-173.4-161.2 77.3 26.0 -12.6 16.1 85 60BH P G > 5S+ 0 0 48 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.807 77.5 66.0 -53.5 -32.4 29.1 -14.4 15.1 86 60CH P G 3 5S+ 0 0 64 0, 0.0 -3,-0.0 0, 0.0 44,-0.0 0.352 108.7 36.2 -64.2 -26.0 27.9 -17.7 16.5 87 60DH W G < 5S- 0 0 153 -3,-1.9 -3,-0.1 2,-0.1 0, 0.0 -0.387 123.5-109.2-112.3 21.4 25.1 -18.0 14.1 88 60EH D T < 5 + 0 0 151 -3,-2.1 2,-0.5 1,-0.2 -5,-0.0 0.500 66.7 154.3 62.0 13.0 27.5 -16.4 11.6 89 60FH K E < +Q 84 0D 42 -5,-2.7 -5,-4.4 -9,-0.1 -1,-0.2 -0.708 8.0 147.8 -90.3 123.7 25.6 -13.1 11.4 90 60GH N E -Q 83 0D 101 -2,-0.5 -7,-0.3 -7,-0.3 2,-0.2 -0.467 25.7-164.3-150.4 70.7 27.5 -10.0 10.5 91 60HH F - 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