==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-JUL-11 3B23 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.Y.KOH,S.KUMAR,K.SWAMINATHAN,R.M.KINI . 305 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 59.0 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 . 75 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 1 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 1 3 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 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 1BA A 0 0 129 0, 0.0 148,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.3 18.3 -21.6 -1.7 2 1AA D > + 0 0 80 146,-0.1 3,-0.9 2,-0.0 147,-0.1 0.248 360.0 136.9 -92.8 7.2 15.9 -23.3 0.8 3 1 A a T 3 + 0 0 25 1,-0.2 145,-0.2 145,-0.1 146,-0.1 0.023 52.4 25.5 -53.3 156.0 16.2 -20.2 3.0 4 2 A G T 3 S+ 0 0 0 143,-3.0 245,-1.8 244,-0.1 2,-0.6 0.487 86.2 111.3 74.6 5.8 13.4 -18.5 4.8 5 3 A L < - 0 0 32 -3,-0.9 -1,-0.1 142,-0.3 243,-0.1 -0.950 61.3-141.0-116.3 114.1 11.0 -21.4 5.1 6 4 A R > > - 0 0 0 -2,-0.6 3,-1.9 1,-0.1 5,-1.8 -0.576 4.6-142.3 -83.8 124.9 10.6 -22.6 8.7 7 5 A P I 3 >S+ 0 0 15 0, 0.0 5,-0.7 0, 0.0 -1,-0.1 0.825 101.9 45.1 -51.2 -36.8 10.4 -26.4 9.2 8 6 A L I 3 5S+ 0 0 23 135,-0.5 33,-0.1 32,-0.4 -2,-0.1 0.447 129.3 18.9 -90.0 1.6 7.8 -26.0 11.9 9 7 A F I < >S+ 0 0 11 -3,-1.9 5,-3.0 31,-0.1 32,-0.1 0.557 127.0 28.1-133.3 -75.0 5.6 -23.5 10.1 10 8 A E I 5S+ 0 0 28 -4,-0.4 -2,-0.1 3,-0.2 -5,-0.1 0.878 120.8 50.7 -67.4 -38.6 5.8 -23.0 6.3 11 9 A K I > S+ 0 0 41 2,-0.1 3,-1.2 3,-0.0 4,-0.6 0.431 83.2 101.1-136.4 -0.5 1.2 -13.1 14.6 19 14CA E H >> S+ 0 0 18 -3,-0.4 4,-1.6 1,-0.3 3,-0.9 0.807 78.9 68.8 -58.8 -28.8 2.5 -13.3 11.0 20 14DA R H 3> S+ 0 0 127 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.877 90.6 61.5 -51.1 -42.4 -1.0 -12.3 9.8 21 14EA E H <> S+ 0 0 39 -3,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.812 102.7 51.4 -53.5 -36.5 -0.3 -8.8 11.4 22 14FA L H X>S+ 0 0 92 -4,-2.4 4,-3.3 1,-0.2 5,-0.7 0.910 104.3 55.4 -59.4 -40.6 -2.2 -6.9 6.9 25 14IA S H 3<5S+ 0 0 10 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.801 105.0 52.8 -64.2 -28.5 0.4 -4.1 7.1 26 14JA Y H 3<5S+ 0 0 21 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.780 122.9 27.6 -75.8 -22.7 1.4 -4.8 3.5 27 14KA I H <<5S+ 0 0 118 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.2 0.832 122.1 43.3-109.0 -46.3 -2.2 -4.5 2.3 28 14LA D T <5 0 0 132 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.921 360.0 360.0 -73.9 -43.7 -4.2 -2.2 4.6 29 14MA G < 0 0 65 -5,-0.7 -3,-0.2 -4,-0.4 -4,-0.2 0.410 360.0 360.0 166.8 360.0 -1.4 0.4 4.9 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 B I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.2 12.6 -7.0 23.4 32 17 B V B +A 229 0A 12 197,-3.1 197,-1.4 1,-0.2 143,-0.1 -0.844 360.0 2.4-100.3 141.1 10.3 -4.5 25.2 33 18 B E S S+ 0 0 125 141,-0.5 -1,-0.2 -2,-0.4 194,-0.1 0.790 103.5 121.5 52.7 33.9 6.5 -5.2 24.9 34 19 B G - 0 0 28 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.181 52.8-127.9 -99.3-159.5 7.1 -8.4 23.0 35 20 B S E -B 192 0B 63 157,-2.0 157,-2.1 -2,-0.1 2,-0.0 -0.951 34.5 -69.5-147.6 169.2 6.0 -12.0 23.8 36 21 B D E -B 191 0B 107 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.366 54.0-121.5 -57.3 131.9 7.5 -15.5 24.1 37 22 B A - 0 0 7 153,-3.0 2,-0.2 59,-0.1 -1,-0.1 -0.481 23.9-114.0 -67.5 144.6 8.4 -16.9 20.7 38 23 B E > - 0 0 50 -2,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.566 50.1 -87.3 -67.3 148.9 6.7 -20.1 19.7 39 24 B I T 3 S+ 0 0 69 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.401 114.9 12.1 -62.2 133.1 9.4 -22.8 19.5 40 25 B G T 3 S+ 0 0 12 55,-0.2 -32,-0.4 104,-0.1 -1,-0.3 0.523 89.8 123.8 77.9 7.1 11.0 -22.9 16.0 41 26 B M S < S+ 0 0 7 -3,-1.8 -2,-0.1 1,-0.3 -35,-0.1 0.706 84.1 23.7 -71.2 -21.2 9.4 -19.5 15.1 42 27 B S > + 0 0 11 -4,-0.2 3,-2.2 102,-0.1 -1,-0.3 -0.502 70.0 167.4-146.4 64.9 12.8 -17.9 14.3 43 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.471 74.9 60.6 -73.2 -3.5 15.2 -20.8 13.4 44 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.410 77.2 119.8 -94.0 -4.1 17.8 -18.4 12.0 45 30 B Q E < -J 61 0C 4 -3,-2.2 49,-0.8 16,-0.2 2,-0.4 -0.468 46.3-166.7 -68.1 130.7 18.2 -16.7 15.4 46 31 B V E -JK 60 93C 0 14,-2.6 14,-1.2 -2,-0.2 2,-0.6 -0.952 15.6-141.6-122.8 138.1 21.7 -16.9 16.8 47 32 B M E -JK 59 92C 0 45,-2.8 45,-2.3 -2,-0.4 2,-0.8 -0.887 9.2-150.1 -96.3 120.2 23.0 -16.2 20.3 48 33 B L E -JK 58 91C 0 10,-2.6 9,-3.0 -2,-0.6 10,-1.3 -0.846 25.6-166.2 -87.3 111.4 26.4 -14.6 20.4 49 34 B F E -JK 56 90C 1 41,-2.8 41,-2.0 -2,-0.8 2,-0.4 -0.885 16.8-138.8-114.1 122.6 27.8 -16.0 23.7 50 35 B R E > -JK 55 89C 70 5,-3.3 5,-1.3 -2,-0.5 39,-0.2 -0.654 9.6-153.6 -80.5 129.9 30.8 -14.7 25.6 51 36 B K T 5S+ 0 0 77 37,-1.9 3,-0.3 -2,-0.4 -1,-0.2 0.991 74.9 49.3 -64.1 -63.1 32.9 -17.5 27.1 52 36AB S T 5S+ 0 0 102 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.972 123.0 19.8-133.8 113.7 34.5 -15.8 30.0 53 37 B P T 5S- 0 0 79 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.552 106.3-122.9 -74.7 142.2 32.7 -14.3 31.8 54 38 B Q T 5 + 0 0 70 -3,-0.3 2,-0.3 -2,-0.1 244,-0.2 -0.307 55.3 134.0 -51.5 117.0 29.7 -16.3 30.4 55 39 B E E < -J 50 0C 28 -5,-1.3 -5,-3.3 -2,-0.1 2,-0.6 -0.971 62.0 -98.8-163.4 152.9 27.1 -13.8 29.0 56 40 B L E +J 49 0C 0 237,-0.7 237,-0.3 -2,-0.3 -7,-0.2 -0.643 38.9 174.8 -64.3 116.2 24.7 -13.0 26.1 57 41 B L E - 0 0 1 -9,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.892 54.4 -37.4 -87.1 -54.3 26.7 -10.5 24.0 58 42 B b E -J 48 0C 0 -10,-1.3 -10,-2.6 176,-0.1 -1,-0.4 -0.925 55.1 -93.9-158.4 171.3 24.4 -10.0 21.1 59 43 B G E +J 47 0C 2 176,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.512 38.6 172.4 -89.7 170.8 21.9 -11.5 18.7 60 44 B A E -J 46 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.4 -0.949 22.1-121.5-167.6 172.3 22.8 -12.7 15.2 61 45 B S E -JL 45 69C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.6 -0.997 14.0-128.7-137.4 140.7 21.3 -14.5 12.2 62 46 B L E + L 0 68C 0 -18,-2.4 86,-2.3 -2,-0.4 6,-0.2 -0.755 30.1 166.4 -85.4 119.4 22.1 -17.7 10.3 63 47 B I - 0 0 22 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.567 68.1 -5.2-112.8 -16.3 22.3 -17.0 6.6 64 48 B S S S- 0 0 33 3,-1.3 3,-0.4 85,-0.1 -1,-0.2 -0.900 87.3 -82.6-153.4-172.0 23.9 -20.3 5.4 65 49 B D S S+ 0 0 72 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.628 128.4 27.2 -71.1 -14.0 25.4 -23.5 7.0 66 50 B R S S+ 0 0 33 72,-0.2 69,-2.2 1,-0.1 2,-0.4 0.303 110.2 77.7-127.4 3.9 28.8 -21.7 7.6 67 51 B W E - M 0 134C 6 -3,-0.4 -4,-2.0 67,-0.2 -3,-1.3 -0.974 47.0-174.3-134.4 132.6 27.9 -18.0 8.0 68 52 B V E -LM 62 133C 0 65,-2.3 65,-2.4 -2,-0.4 2,-0.4 -0.976 13.4-149.3-126.6 137.0 26.4 -15.9 10.7 69 53 B L E +LM 61 132C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.3 -0.836 29.0 142.2-110.8 139.2 25.4 -12.2 10.3 70 54 B T E - M 0 131C 0 61,-2.2 61,-2.9 -2,-0.4 2,-0.3 -0.889 50.2 -70.8-156.9-178.6 25.4 -9.6 13.2 71 55 B A > - 0 0 0 -12,-0.4 3,-0.6 59,-0.3 4,-0.5 -0.644 31.8-135.2 -87.3 147.1 26.2 -6.0 14.0 72 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 3,-1.2 0.818 101.6 65.0 -69.8 -33.4 29.8 -4.7 14.0 73 57 B H G 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.728 92.0 64.0 -65.8 -22.0 29.3 -2.8 17.3 74 58 B b G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.837 118.4 25.7 -62.9 -32.5 28.8 -6.1 19.0 75 59 B L T <4 S+ 0 0 1 -3,-1.2 9,-2.1 -4,-0.5 2,-0.4 0.658 128.2 35.2-106.0 -24.3 32.4 -7.1 18.1 76 60 B L E < +P 83 0D 31 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.941 52.6 132.0-145.6 114.7 34.2 -3.8 17.8 77 60AB Y E > > -P 82 0D 51 5,-2.2 3,-2.1 -2,-0.4 5,-1.3 -0.472 24.7-173.1-158.4 80.6 33.8 -0.5 19.6 78 60BB P G > 5S+ 0 0 50 0, 0.0 3,-2.4 0, 0.0 5,-0.1 0.668 77.2 72.5 -53.9 -26.1 37.2 1.0 20.8 79 60CB P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.757 109.6 36.2 -67.0 -19.6 35.8 3.8 22.9 80 60DB W G < 5S- 0 0 154 -3,-2.1 -3,-0.0 2,-0.1 0, 0.0 -0.091 123.5-109.6-107.5 29.4 34.7 1.1 25.4 81 60EB D T < 5 + 0 0 157 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.820 65.5 157.6 47.6 40.1 38.0 -0.9 24.6 82 60FB K E < +P 77 0D 16 -5,-1.3 -5,-2.2 2,-0.0 -1,-0.2 -0.844 10.2 138.3-102.6 120.3 35.9 -3.6 22.7 83 60GB N E -P 76 0D 118 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.512 32.1-161.9-156.7 80.9 37.7 -5.8 20.1 84 60HB F - 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