==== 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 27-MAY-93 1TMB . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.QIU,K.P.PADMANABHAN,B.E.MARYANOFF,A.TULINSKY . 296 6 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 4 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 1 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 1DL G > 0 0 40 0, 0.0 2,-1.4 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -20.0 15.3 16.4 14.8 2 1CL E T 3 + 0 0 69 61,-0.3 62,-0.1 1,-0.2 148,-0.1 -0.194 360.0 76.7 -48.3 85.4 15.0 15.5 18.6 3 1BL A T 3 S+ 0 0 79 -2,-1.4 -1,-0.2 144,-0.1 146,-0.0 0.238 98.2 39.7-161.8 -28.0 13.5 18.9 19.9 4 1AL D S X S+ 0 0 75 -3,-1.1 3,-1.6 3,-0.0 -2,-0.1 0.013 99.9 153.6-112.9 11.1 9.9 18.6 18.9 5 1 L a T 3 + 0 0 11 -4,-0.3 143,-0.2 1,-0.2 3,-0.1 -0.076 52.3 11.9 -48.3 142.4 10.6 15.0 20.0 6 2 L G T 3 S+ 0 0 0 141,-2.8 237,-1.3 236,-0.2 2,-0.7 0.426 90.6 114.6 65.5 6.6 7.9 12.7 21.3 7 3 L L < - 0 0 34 -3,-1.6 -1,-0.2 140,-0.2 235,-0.1 -0.952 61.8-144.0-106.1 105.8 5.0 15.0 20.2 8 4 L R > > - 0 0 0 -2,-0.7 5,-2.0 1,-0.1 3,-1.4 -0.541 9.0-132.9 -73.1 129.3 3.2 12.9 17.5 9 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.775 103.8 39.9 -52.8 -33.9 1.7 14.8 14.6 10 6 L L T 3 5S+ 0 0 33 133,-0.4 31,-0.1 30,-0.4 29,-0.1 0.381 128.1 23.4-101.0 5.5 -1.7 13.0 14.8 11 7 L F T X>>S+ 0 0 13 -3,-1.4 5,-2.3 29,-0.1 3,-1.9 0.380 127.6 25.5-129.4 -92.4 -2.2 12.8 18.6 12 8 L E G >45S+ 0 0 24 1,-0.3 3,-0.5 3,-0.2 5,-0.1 0.776 119.5 57.1 -42.1 -49.5 -0.4 15.3 20.9 13 9 L K G 34> S+ 0 0 50 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.349 86.5 102.7-131.1 4.7 -4.9 3.0 25.4 21 14CL E H >> S+ 0 0 3 -3,-0.4 4,-1.9 1,-0.2 3,-0.5 0.780 76.7 68.4 -58.5 -24.5 -2.5 5.7 26.4 22 14DL R H 3> S+ 0 0 158 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.875 91.3 60.6 -61.6 -28.7 -4.8 6.3 29.4 23 14EL E H <> S+ 0 0 66 -3,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.870 107.4 45.7 -61.8 -35.8 -3.8 2.9 30.8 24 14FL L H XX S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.5 4,-0.5 0.966 111.9 48.5 -66.9 -60.9 -0.1 4.0 31.0 25 14GL L H >< S+ 0 0 49 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.852 109.2 56.3 -57.4 -34.8 -0.8 7.4 32.5 26 14HL E H 3< S+ 0 0 100 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.716 100.5 57.4 -71.1 -17.5 -3.0 5.7 35.1 27 14IL S H << S+ 0 0 20 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.3 0.611 84.9 78.5 -84.1 -12.6 -0.2 3.4 36.2 28 14JL Y << 0 0 20 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.230 360.0 360.0 -88.5 37.8 2.0 6.4 37.1 29 14KL I 0 0 176 -3,-0.3 -1,-0.2 -2,-0.3 -4,-0.0 -0.000 360.0 360.0 29.7 360.0 -0.2 6.5 40.2 30 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.2 4.1 -9.2 19.8 32 17 H V B -A 223 0A 13 191,-2.8 191,-1.1 1,-0.2 143,-0.1 -0.883 360.0 -2.1-105.7 123.2 1.8 -11.6 21.8 33 18 H E S S+ 0 0 127 -2,-0.5 -1,-0.2 141,-0.3 188,-0.2 0.704 100.9 119.9 73.5 26.4 -1.6 -10.5 22.9 34 19 H G - 0 0 22 -3,-0.3 2,-0.3 189,-0.1 153,-0.2 -0.019 53.3-126.3 -95.3-159.7 -1.3 -6.9 21.5 35 20 H S E -B 186 0B 73 151,-1.4 151,-2.9 -2,-0.1 2,-0.1 -0.895 35.2 -73.6-147.5 171.9 -3.5 -5.1 18.9 36 21 H D E -B 185 0B 103 -2,-0.3 149,-0.2 149,-0.2 2,-0.2 -0.413 51.8-118.1 -73.6 145.0 -3.0 -3.2 15.7 37 22 H A - 0 0 7 147,-2.2 2,-0.1 -2,-0.1 -1,-0.1 -0.525 26.7-114.3 -77.7 155.6 -1.5 0.2 16.2 38 23 H E > - 0 0 42 -2,-0.2 3,-1.5 1,-0.1 2,-0.3 -0.345 50.3 -78.0 -81.0 165.6 -3.6 3.2 15.0 39 24 H I T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.538 118.5 6.5 -72.2 135.4 -2.2 5.2 12.2 40 25 H G T 3 S+ 0 0 12 -2,-0.3 -30,-0.4 104,-0.1 -1,-0.3 0.666 90.5 127.2 66.3 20.8 0.6 7.5 13.3 41 26 H M S < S+ 0 0 8 -3,-1.5 -2,-0.1 1,-0.3 -33,-0.1 0.803 83.8 20.8 -69.5 -34.0 0.5 5.9 16.8 42 27 H S > + 0 0 16 -4,-0.3 3,-1.5 102,-0.1 -1,-0.3 -0.684 69.5 166.1-140.6 80.7 4.3 5.2 16.8 43 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.5 0, 0.0 99,-0.1 0.359 74.3 61.3 -83.9 -1.3 6.0 7.4 14.2 44 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.5 103,-0.1 2,-0.3 0.380 77.5 119.0 -97.1 -9.1 9.5 6.7 15.5 45 30 H Q E < -J 61 0C 3 -3,-1.5 49,-1.0 16,-0.2 50,-0.4 -0.512 45.6-171.1 -67.1 127.0 9.1 3.0 14.6 46 31 H V E -JK 60 93C 0 14,-2.3 14,-1.1 -2,-0.3 2,-0.5 -0.870 17.3-138.0-116.8 149.1 11.6 1.9 12.1 47 32 H M E -JK 59 92C 0 45,-2.3 45,-2.3 -2,-0.3 2,-0.6 -0.948 11.4-143.7-110.1 123.3 11.9 -1.4 10.1 48 33 H L E -JK 58 91C 0 10,-3.5 9,-3.3 -2,-0.5 10,-0.6 -0.819 30.6-166.4 -86.8 120.8 15.4 -3.0 9.6 49 34 H F E -JK 56 90C 1 41,-3.2 41,-2.7 -2,-0.6 2,-0.4 -0.935 18.6-137.0-129.9 129.7 15.2 -4.5 6.1 50 35 H R E > -JK 55 89C 80 5,-3.5 5,-0.8 -2,-0.5 39,-0.2 -0.571 7.2-147.8 -84.5 129.8 17.4 -6.9 4.2 51 36 H K E > 5S+J 54 0C 58 37,-1.3 3,-0.6 -2,-0.4 -1,-0.1 0.802 82.5 36.6 -62.4 -36.2 18.2 -6.3 0.6 52 36AH S T 3 5S+ 0 0 103 1,-0.8 -1,-0.2 36,-0.3 2,-0.2 -0.691 126.5 25.1-174.5 113.6 18.3 -10.0 -0.5 53 37 H P T 3 5S- 0 0 80 0, 0.0 -1,-0.8 0, 0.0 2,-0.3 0.533 105.6-137.2 -65.8 130.9 16.6 -12.0 0.6 54 38 H Q E < 5 +J 51 0C 54 -3,-0.6 2,-0.3 -2,-0.2 -3,-0.2 -0.580 51.3 138.7 -53.8 121.0 14.6 -8.8 1.0 55 39 H E E < -J 50 0C 53 -5,-0.8 -5,-3.5 -2,-0.3 2,-0.4 -0.961 60.4 -84.0-173.5 159.1 13.2 -9.4 4.5 56 40 H L E +J 49 0C 21 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.631 38.8 171.6 -72.1 123.3 12.4 -8.1 7.9 57 41 H L E - 0 0 13 -9,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.837 55.8 -48.7 -95.9 -57.6 15.5 -8.2 10.1 58 42 H b E -J 48 0C 2 -10,-0.6 -10,-3.5 170,-0.1 -1,-0.4 -0.916 54.2 -88.2-164.7-179.6 14.3 -6.3 13.3 59 43 H G E +J 47 0C 3 170,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.384 41.3 165.4 -92.4 178.1 12.7 -3.2 14.7 60 44 H A E -J 46 0C 0 -14,-1.1 -14,-2.3 -2,-0.1 2,-0.3 -0.920 24.7-114.5-178.2 179.3 14.5 0.0 15.5 61 45 H S E -JL 45 69C 0 8,-1.8 8,-2.3 -2,-0.3 2,-0.6 -0.992 13.0-122.3-144.3 148.7 13.6 3.7 16.3 62 46 H L E + L 0 68C 0 -18,-2.5 86,-2.7 -2,-0.3 6,-0.2 -0.815 30.8 166.5 -83.8 117.9 14.0 7.2 14.9 63 47 H I S S- 0 0 5 4,-2.0 -61,-0.3 -2,-0.6 2,-0.3 0.448 72.4 -14.0-109.5 -11.3 15.8 9.5 17.5 64 48 H S S S- 0 0 15 3,-1.0 -1,-0.3 -63,-0.2 75,-0.1 -0.908 87.7 -78.0-171.6-177.4 16.5 12.4 15.1 65 49 H D S S+ 0 0 49 -2,-0.3 74,-2.9 1,-0.2 72,-0.1 0.557 128.2 29.3 -78.7 -2.8 16.4 12.9 11.3 66 50 H R S S+ 0 0 47 72,-0.2 69,-4.7 1,-0.1 2,-0.4 0.556 108.4 74.2-123.6 -20.8 19.8 11.1 10.7 67 51 H W E - M 0 134C 2 67,-0.2 -4,-2.0 65,-0.0 -3,-1.0 -0.909 49.2-169.1-115.1 138.9 20.0 8.5 13.6 68 52 H V E -LM 62 133C 0 65,-2.6 65,-2.7 -2,-0.4 2,-0.4 -0.920 11.5-148.9-120.2 140.7 18.4 5.2 14.3 69 53 H L E +LM 61 132C 0 -8,-2.3 -8,-1.8 -2,-0.3 2,-0.3 -0.966 30.1 144.7-117.6 127.1 18.5 3.2 17.5 70 54 H T E - M 0 131C 0 61,-2.3 61,-2.2 -2,-0.4 2,-0.3 -0.899 52.4 -76.4-146.7 177.0 18.4 -0.6 17.6 71 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.643 36.0-132.2 -80.6 137.7 19.7 -3.7 19.5 72 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.3 3,-1.7 0.830 103.4 66.5 -59.2 -33.2 23.4 -4.6 18.6 73 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.559 86.2 69.8 -69.1 -10.6 22.4 -8.3 18.2 74 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.773 116.0 24.5 -72.9 -27.3 20.3 -7.3 15.1 75 59 H L T <4 S+ 0 0 0 -3,-1.7 9,-1.4 -4,-0.4 2,-0.5 0.738 129.0 37.4-104.9 -35.3 23.6 -6.6 13.3 76 60 H L E < +P 83 0D 40 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.913 56.4 138.2-132.4 105.9 26.2 -8.8 15.1 77 60AH Y E > > -P 82 0D 32 5,-2.5 3,-2.8 -2,-0.5 5,-1.7 -0.648 23.0-174.5-147.8 78.0 25.4 -12.2 16.4 78 60BH P G > 5S+ 0 0 43 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.761 79.4 64.5 -42.8 -43.0 28.3 -14.6 15.7 79 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.637 111.0 38.6 -59.9 -17.7 26.6 -17.8 16.9 80 60DH W G < 5S- 0 0 78 -3,-2.8 3,-0.1 2,-0.1 -4,-0.0 0.206 120.2-112.2-114.2 13.3 24.1 -17.4 14.1 81 60EH D T < 5 + 0 0 153 -3,-2.8 2,-0.5 1,-0.2 -5,-0.0 0.882 65.7 156.4 55.3 45.4 26.9 -16.2 11.8 82 60FH K E < +P 77 0D 25 -5,-1.7 -5,-2.5 1,-0.1 -1,-0.2 -0.926 10.0 139.9-108.5 124.5 25.3 -12.8 11.8 83 60GH N E -P 76 0D 115 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.216 28.4-170.0-155.3 62.4 27.5 -9.7 11.0 84 60HH F - 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