==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-APR-11 3RMO . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 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 . 79 27.2 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 . 2 0.7 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 . 5 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 1CL E > 0 0 98 0, 0.0 3,-1.8 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -92.7 15.2 18.6 18.7 2 1BL A T 3 + 0 0 88 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.783 360.0 43.1 -58.7 -27.3 13.1 21.4 20.2 3 1AL D T > S+ 0 0 71 144,-0.0 3,-1.3 2,-0.0 -1,-0.3 0.268 85.8 139.6-103.6 8.7 10.0 19.7 18.9 4 1 L a T < + 0 0 21 -3,-1.8 143,-0.2 1,-0.2 144,-0.1 -0.136 63.8 16.5 -58.3 148.2 10.8 16.1 19.7 5 2 L G T 3 S+ 0 0 0 141,-2.8 237,-1.9 1,-0.2 2,-0.6 0.539 90.5 114.5 74.3 8.0 8.2 13.7 21.1 6 3 L L < - 0 0 34 -3,-1.3 -1,-0.2 140,-0.3 235,-0.1 -0.946 61.3-140.4-112.5 110.7 5.2 15.8 20.0 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.533 5.5-139.4 -79.0 132.2 3.2 13.9 17.4 8 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.847 104.2 41.8 -55.1 -37.0 1.7 15.9 14.5 9 6 L L T 3 5S+ 0 0 31 133,-0.4 31,-0.1 30,-0.4 -2,-0.0 0.448 130.6 20.4 -94.6 1.1 -1.5 13.9 14.5 10 7 L F T X>>S+ 0 0 14 -3,-1.4 5,-2.3 29,-0.1 3,-1.7 0.424 127.5 24.8-128.8 -90.2 -1.9 13.8 18.3 11 8 L E G >45S+ 0 0 31 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.859 120.0 56.8 -53.5 -39.7 -0.1 16.2 20.7 12 9 L K G 34> S+ 0 0 40 2,-0.1 3,-1.1 1,-0.1 4,-0.8 0.384 85.0 100.3-129.9 5.4 -4.4 3.9 25.0 20 14CL E H >> S+ 0 0 13 -3,-0.4 4,-2.1 1,-0.3 3,-0.6 0.831 78.5 66.2 -65.4 -26.2 -2.1 6.7 26.2 21 14DL R H 3> S+ 0 0 138 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.843 92.3 62.0 -60.5 -32.7 -4.4 7.2 29.2 22 14EL E H <> S+ 0 0 52 -3,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.885 105.3 46.8 -59.6 -38.9 -3.3 3.7 30.4 23 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.6 4,-0.7 0.961 111.2 50.5 -66.4 -50.8 0.2 5.0 30.6 24 14GL L H >< S+ 0 0 94 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.910 106.8 54.9 -55.3 -43.6 -0.8 8.2 32.5 25 14HL E H 3< S+ 0 0 130 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 104.1 55.3 -64.5 -23.8 -2.8 6.2 35.0 26 14IL S H << S+ 0 0 16 -3,-1.1 2,-1.7 -4,-0.8 -1,-0.3 0.620 84.8 88.5 -82.1 -14.8 0.3 4.1 35.8 27 14JL Y << 0 0 26 -3,-1.5 -1,-0.1 -4,-0.7 136,-0.1 -0.587 360.0 360.0 -87.3 79.1 2.4 7.1 36.6 28 14KL I 0 0 171 -2,-1.7 -1,-0.1 0, 0.0 -2,-0.1 0.658 360.0 360.0 -95.8 360.0 1.5 7.3 40.3 29 !* 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 30 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.2 4.5 -7.9 19.1 31 17 H V B -A 222 0A 9 191,-2.8 191,-1.3 1,-0.2 143,-0.1 -0.827 360.0 -1.9 -99.3 130.8 2.4 -10.5 21.0 32 18 H E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.798 101.3 122.0 63.7 31.9 -1.0 -9.6 22.3 33 19 H G - 0 0 28 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.219 53.8-121.1-100.4-161.6 -0.9 -6.0 21.1 34 20 H S E -B 185 0B 60 151,-2.2 151,-2.4 -2,-0.1 2,-0.2 -0.897 35.1 -74.5-139.0 168.7 -3.2 -4.1 18.7 35 21 H D E -B 184 0B 109 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.442 53.0-118.4 -62.6 133.6 -3.0 -2.2 15.4 36 22 H A - 0 0 6 147,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.361 25.2-115.1 -64.8 151.0 -1.3 1.2 15.8 37 23 H E > - 0 0 43 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.507 47.8 -80.5 -76.5 157.8 -3.4 4.3 14.9 38 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.426 117.3 3.9 -60.5 129.5 -2.2 6.3 12.0 39 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.4 2,-0.1 -1,-0.3 0.625 91.1 128.9 70.2 15.3 0.7 8.5 13.1 40 26 H M S < S+ 0 0 4 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.792 82.9 22.4 -72.5 -28.8 0.7 7.0 16.6 41 27 H S > + 0 0 9 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.584 69.7 166.5-137.5 69.6 4.5 6.3 16.5 42 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.578 75.5 61.6 -73.5 -6.0 6.0 8.7 13.9 43 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.418 76.8 122.4 -89.4 -4.1 9.5 7.9 15.1 44 30 H Q E < -J 60 0C 2 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.407 42.2-171.0 -62.2 133.2 9.1 4.2 14.2 45 31 H V E -JK 59 92C 0 14,-2.3 14,-1.2 47,-0.2 2,-0.5 -0.970 15.0-146.8-127.5 141.3 11.7 3.0 11.7 46 32 H M E -JK 58 91C 0 45,-2.6 45,-2.5 -2,-0.4 2,-0.6 -0.947 10.8-145.3-104.8 123.9 12.0 -0.2 9.8 47 33 H L E -JK 57 90C 0 10,-2.8 9,-3.0 -2,-0.5 10,-1.3 -0.809 26.3-165.5 -84.4 125.6 15.4 -1.6 9.2 48 34 H F E -JK 55 89C 0 41,-2.9 41,-2.3 -2,-0.6 2,-0.3 -0.948 18.2-132.7-124.8 131.2 15.2 -3.3 5.8 49 35 H R E > -JK 54 88C 81 5,-2.9 5,-0.9 -2,-0.4 39,-0.2 -0.631 10.8-148.8 -80.0 136.8 17.5 -5.7 4.0 50 36 H K E 5S+J 53 0C 46 37,-2.1 3,-0.3 -2,-0.3 -1,-0.1 0.883 78.7 49.8 -73.1 -40.5 18.3 -4.9 0.4 51 36AH S T 5S+ 0 0 103 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.871 121.2 18.7-155.4 116.2 18.7 -8.4 -0.8 52 37 H P T 5S- 0 0 77 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.593 103.3-125.3 -71.0 155.0 16.8 -10.4 -0.2 53 38 H Q E 5 +J 50 0C 69 -3,-0.3 231,-0.3 -2,-0.2 2,-0.3 -0.576 57.6 129.2 -71.6 113.0 14.2 -7.7 0.6 54 39 H E E < -J 49 0C 70 -5,-0.9 -5,-2.9 -2,-0.6 2,-0.2 -0.989 63.0 -85.1-159.4 158.6 13.0 -8.4 4.1 55 40 H L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.512 38.4 173.6 -66.8 132.3 12.4 -6.9 7.5 56 41 H L E - 0 0 19 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.746 54.6 -42.9-104.8 -39.7 15.5 -6.9 9.7 57 42 H b E -J 47 0C 3 -10,-1.3 -10,-2.8 170,-0.1 -1,-0.4 -0.977 53.3 -92.7-173.3 171.1 14.5 -5.0 12.8 58 43 H G E +J 46 0C 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.500 39.6 167.2 -93.9 176.0 12.9 -2.0 14.3 59 44 H A E -J 45 0C 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.926 24.2-119.8-172.7 177.0 14.6 1.3 15.1 60 45 H S E -JL 44 68C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.986 14.9-121.9-142.2 151.4 13.7 4.9 16.0 61 46 H L E + L 0 67C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.808 29.9 167.9 -93.5 119.9 14.2 8.3 14.6 62 47 H I - 0 0 20 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.503 68.8 -9.2-111.6 -6.0 15.9 10.7 17.0 63 48 H S S S- 0 0 31 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.936 86.6 -79.9-167.0-175.9 16.7 13.6 14.6 64 49 H D S S+ 0 0 54 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.606 129.4 26.4 -72.3 -6.7 16.6 14.3 10.9 65 50 H R S S+ 0 0 99 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.458 109.0 74.7-131.7 -8.8 19.8 12.4 10.4 66 51 H W E - M 0 133C 9 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.1 -0.938 48.0-171.5-125.3 136.3 20.1 9.8 13.2 67 52 H V E -LM 61 132C 0 65,-2.6 65,-2.8 -2,-0.4 2,-0.4 -0.967 12.7-148.9-124.4 136.3 18.4 6.5 13.8 68 53 H L E +LM 60 131C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.838 28.7 147.6-106.8 138.3 18.7 4.5 17.0 69 54 H T E - M 0 130C 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.3 -0.867 49.2 -74.2-151.1-176.9 18.5 0.7 17.1 70 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.4 -0.722 33.9-131.7 -85.8 140.9 19.8 -2.4 19.0 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-1.9 0.865 105.8 63.1 -56.8 -37.0 23.4 -3.5 18.3 72 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.660 90.1 68.4 -69.4 -12.6 22.3 -7.1 17.8 73 58 H b G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.750 117.2 22.9 -69.6 -24.6 20.3 -5.9 14.8 74 59 H L T <4 S+ 0 0 0 -3,-1.9 9,-2.5 -4,-0.4 2,-0.4 0.715 131.2 32.8-111.5 -34.4 23.6 -5.2 13.0 75 60 H L E < +P 82 0D 31 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.951 56.3 138.6-137.2 111.3 26.1 -7.4 14.7 76 60AH Y E > > -P 81 0D 50 5,-2.8 3,-2.0 -2,-0.4 5,-1.9 -0.588 22.0-174.1-151.5 84.8 25.5 -10.8 16.2 77 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.767 79.2 68.6 -54.9 -33.4 28.3 -13.3 15.5 78 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.797 111.1 36.5 -58.9 -22.8 26.5 -16.4 16.9 79 60DH W G < 5S- 0 0 181 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 0.122 118.2-109.6-111.3 16.7 24.1 -16.1 14.0 80 60EH D T < 5 + 0 0 156 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.821 68.3 151.7 59.4 32.5 26.7 -15.0 11.4 81 60FH K E < +P 76 0D 46 -5,-1.9 -5,-2.8 2,-0.0 -1,-0.2 -0.855 6.1 139.3-100.5 123.1 25.1 -11.5 11.4 82 60GH N E -P 75 0D 126 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.506 29.1-168.7-159.9 82.5 27.4 -8.6 10.6 83 60HH F - 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