==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAR-09 3GIC . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BAH,C.J.CARRELL,Z.CHEN,P.S.GANDHI,E.DI CERA . 276 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 61.2 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 . 72 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 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 . 3 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 1CA E > 0 0 161 0, 0.0 3,-1.7 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -55.6 -24.0 3.2 -11.0 2 1BA A T 3 + 0 0 90 1,-0.3 146,-0.0 146,-0.0 0, 0.0 0.866 360.0 35.5 -49.6 -40.7 -25.6 4.3 -14.3 3 1AA D T > S+ 0 0 72 144,-0.0 3,-1.4 2,-0.0 -1,-0.3 0.237 89.7 143.2-100.7 9.7 -26.3 7.7 -12.9 4 1 A a T < + 0 0 14 -3,-1.7 143,-0.2 1,-0.2 144,-0.1 -0.113 63.8 14.6 -58.2 145.7 -23.1 8.0 -10.8 5 2 A G T 3 S+ 0 0 0 141,-2.6 234,-1.7 1,-0.2 2,-0.6 0.482 92.3 111.7 76.7 4.4 -21.3 11.3 -10.5 6 3 A L < - 0 0 30 -3,-1.4 -1,-0.2 140,-0.3 232,-0.1 -0.951 63.5-140.2-112.4 109.5 -24.1 13.5 -11.8 7 4 A R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.4 -0.556 5.7-139.1 -82.1 129.8 -25.5 15.6 -9.0 8 5 A P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.823 104.4 40.8 -49.9 -38.1 -29.3 16.1 -8.7 9 6 A L T 3 5S+ 0 0 27 133,-0.4 31,-0.1 30,-0.4 -2,-0.0 0.468 129.3 23.7 -96.1 -2.2 -28.8 19.8 -7.7 10 7 A F T X >S+ 0 0 13 -3,-1.4 5,-2.4 29,-0.1 3,-1.7 0.491 127.4 23.1-122.7 -89.4 -26.0 20.6 -10.2 11 8 A E G > 5S+ 0 0 18 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.873 123.1 54.0 -52.1 -40.9 -25.4 18.6 -13.4 12 9 A K G 3 > S+ 0 0 28 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.401 85.7 100.9-126.0 3.0 -15.5 26.4 -7.7 20 14CA E H 3> S+ 0 0 8 -3,-0.4 4,-2.2 1,-0.3 3,-0.4 0.840 79.0 65.1 -61.0 -28.2 -15.8 23.5 -10.2 21 14DA R H 3> S+ 0 0 139 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.855 94.5 60.1 -59.8 -33.2 -14.5 25.9 -12.9 22 14EA E H <> S+ 0 0 23 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.897 107.5 45.2 -61.5 -39.8 -11.2 25.9 -10.9 23 14FA L H >X S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.4 4,-0.6 0.963 114.0 46.9 -66.2 -52.3 -10.9 22.2 -11.4 24 14GA L H >< S+ 0 0 57 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.865 109.7 54.2 -63.0 -36.0 -11.8 22.2 -15.1 25 14HA E H 3< S+ 0 0 122 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.773 102.2 58.9 -67.8 -25.9 -9.3 25.1 -15.8 26 14IA S H << S+ 0 0 21 -4,-1.0 2,-2.0 -3,-0.7 -1,-0.2 0.661 80.6 93.3 -75.4 -16.3 -6.5 23.1 -14.2 27 14JA Y << 0 0 29 -3,-1.0 -1,-0.2 -4,-0.6 136,-0.1 -0.491 360.0 360.0 -85.3 75.5 -6.9 20.2 -16.7 28 14KA I 0 0 168 -2,-2.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 360.0 360.0-105.8 360.0 -4.4 21.4 -19.3 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 B I 0 0 3 0, 0.0 142,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.6 -10.8 21.0 6.3 31 17 B V B +A 219 0A 20 188,-2.2 188,-1.8 140,-0.1 3,-0.1 -0.992 360.0 6.1-127.5 140.7 -8.7 24.1 6.8 32 18 B E S S+ 0 0 131 -2,-0.4 185,-0.2 186,-0.2 -1,-0.1 0.845 96.3 132.1 59.4 36.4 -8.8 27.3 4.6 33 19 B G - 0 0 30 -3,-0.1 2,-0.3 150,-0.1 150,-0.2 -0.244 52.0-121.7 -95.3-169.1 -11.7 26.0 2.6 34 20 B S E -B 182 0B 58 148,-1.7 148,-2.4 -2,-0.1 2,-0.2 -0.870 40.2 -76.4-128.9 167.1 -14.9 27.7 1.7 35 21 B D E -B 181 0B 100 -2,-0.3 146,-0.2 146,-0.2 2,-0.1 -0.477 45.6-132.8 -65.3 127.7 -18.6 26.8 2.4 36 22 B A - 0 0 6 144,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.423 23.5-115.3 -68.7 154.4 -19.9 24.0 0.2 37 23 B E > - 0 0 45 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.589 40.8 -84.3 -86.1 155.8 -23.2 24.5 -1.4 38 24 B I T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.397 117.0 11.7 -57.9 130.7 -26.2 22.3 -0.5 39 25 B G T 3 S+ 0 0 10 104,-0.1 -30,-0.4 2,-0.1 -1,-0.3 0.543 91.8 122.4 81.0 5.5 -26.1 19.1 -2.5 40 26 B M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.777 82.6 23.7 -75.3 -26.6 -22.6 19.8 -3.7 41 27 B S S > S+ 0 0 14 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.625 70.3 164.2-135.0 68.8 -21.0 16.5 -2.4 42 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.608 73.8 60.3 -75.5 -6.5 -24.0 14.2 -2.2 43 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 104,-0.1 0.422 76.6 122.1 -88.5 -5.1 -21.7 11.1 -2.0 44 30 B Q E < -J 60 0C 10 -3,-2.0 49,-0.9 16,-0.2 2,-0.4 -0.404 41.7-172.9 -64.7 131.1 -20.1 12.5 1.3 45 31 B V E -JK 59 92C 0 14,-2.4 14,-1.3 47,-0.2 2,-0.5 -0.979 13.7-148.1-126.5 138.7 -20.5 10.0 4.2 46 32 B M E -JK 58 91C 9 45,-2.7 45,-2.1 -2,-0.4 2,-0.5 -0.947 10.5-148.4-111.2 128.2 -19.5 10.7 7.8 47 33 B L E -JK 57 90C 0 10,-2.8 9,-3.1 -2,-0.5 10,-1.5 -0.855 19.9-173.7-100.1 124.8 -18.3 7.8 9.9 48 34 B F E -JK 55 89C 20 41,-3.0 41,-1.9 -2,-0.5 2,-0.3 -0.894 27.7-127.4-119.9 143.9 -19.1 7.9 13.6 49 35 B R E > -JK 54 88C 73 5,-2.7 5,-1.4 -2,-0.4 39,-0.2 -0.708 23.1-144.6 -73.2 139.4 -18.3 5.8 16.7 50 36 B K T 5S+ 0 0 66 37,-2.7 3,-0.3 -2,-0.3 -1,-0.1 0.927 76.3 59.3 -71.3 -47.9 -21.6 4.9 18.4 51 36AB S T 5S+ 0 0 90 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.959 119.5 13.7-143.4 114.9 -20.4 5.1 22.0 52 37 B P T 5S- 0 0 100 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.649 107.8-117.8 -72.9 153.1 -19.3 7.6 23.0 53 38 B Q T 5 + 0 0 100 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.394 53.0 150.4 -61.8 118.7 -20.7 9.4 19.9 54 39 B E E < -J 49 0C 90 -5,-1.4 -5,-2.7 -2,-0.3 2,-0.4 -0.981 49.6-114.0-153.2 141.6 -17.9 10.9 17.9 55 40 B L E +J 48 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.597 36.2 170.7 -71.3 125.7 -17.0 11.7 14.4 56 41 B L E - 0 0 29 -9,-3.1 167,-0.3 -2,-0.4 2,-0.3 0.796 51.2 -28.7-102.2 -43.5 -14.1 9.5 13.2 57 42 B b E -J 47 0C 3 -10,-1.5 -10,-2.8 167,-0.1 -1,-0.4 -0.974 55.0 -98.2-164.2 166.6 -13.6 10.0 9.5 58 43 B G E +J 46 0C 0 167,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.482 37.3 170.5 -90.5 178.3 -15.0 10.8 6.2 59 44 B A E -J 45 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.934 23.4-115.6-173.4 176.4 -16.1 8.2 3.6 60 45 B S E -JL 44 68C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.982 13.8-126.2-139.6 145.3 -18.0 8.1 0.2 61 46 B L E + L 0 67C 0 -18,-2.0 86,-2.1 -2,-0.3 6,-0.2 -0.788 30.4 166.2 -89.4 116.4 -21.2 6.5 -1.2 62 47 B I S S- 0 0 10 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.544 70.3 -7.1-108.9 -9.3 -20.4 4.4 -4.2 63 48 B S S S- 0 0 31 3,-1.1 -1,-0.3 85,-0.1 75,-0.1 -0.917 88.9 -80.7-163.6-178.3 -23.8 2.6 -4.4 64 49 B D S S+ 0 0 48 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.656 129.3 24.3 -70.6 -10.7 -27.0 2.3 -2.3 65 50 B R S S+ 0 0 100 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.462 108.1 78.3-128.3 -7.2 -25.3 -0.2 -0.1 66 51 B W E - M 0 133C 14 67,-0.2 -4,-2.4 -3,-0.1 -3,-1.1 -0.939 48.8-173.9-121.3 133.8 -21.5 0.3 -0.3 67 52 B V E -LM 61 132C 0 65,-2.6 65,-2.4 -2,-0.4 2,-0.4 -0.960 12.4-147.6-125.9 133.1 -19.3 2.9 1.3 68 53 B L E +LM 60 131C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.830 29.7 146.3-101.9 139.2 -15.6 3.5 0.7 69 54 B T E - M 0 130C 0 61,-2.5 61,-2.4 -2,-0.4 2,-0.3 -0.847 49.8 -74.2-150.5-174.1 -13.2 4.8 3.4 70 55 B A > - 0 0 0 -12,-0.4 3,-1.1 59,-0.2 4,-0.4 -0.711 32.5-133.2 -87.9 144.7 -9.6 4.5 4.6 71 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 3,-2.0 0.879 105.1 63.7 -60.9 -36.2 -8.5 1.3 6.4 72 57 B H G 34 S+ 0 0 9 1,-0.3 -1,-0.2 2,-0.2 174,-0.0 0.680 90.8 65.9 -67.0 -14.5 -6.8 3.4 9.1 73 58 B b G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.723 117.7 25.4 -71.2 -22.0 -10.2 4.8 10.0 74 59 B L T <4 S+ 0 0 0 -3,-2.0 9,-2.2 -4,-0.4 2,-0.4 0.648 128.4 33.8-114.5 -28.5 -11.1 1.3 11.2 75 60 B L E < +P 82 0D 32 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.937 54.5 137.9-143.5 110.7 -7.9 -0.5 12.0 76 60AB Y E > > -P 81 0D 38 5,-2.7 3,-1.8 -2,-0.4 5,-1.7 -0.613 23.9-172.7-151.8 83.1 -4.8 1.1 13.6 77 60BB P G > 5S+ 0 0 51 0, 0.0 3,-2.2 0, 0.0 5,-0.1 0.770 78.3 66.8 -56.2 -31.7 -3.4 -1.1 16.3 78 60CB P G 3 5S+ 0 0 75 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.827 110.2 40.8 -63.4 -22.0 -0.7 1.3 17.7 79 60DB W G < 5S- 0 0 131 -3,-1.8 3,-0.1 2,-0.1 0, 0.0 0.117 120.2-109.8-104.5 17.8 -3.7 3.4 18.9 80 60EB D T < 5 + 0 0 157 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.824 68.6 150.5 60.8 34.9 -5.7 0.4 20.0 81 60FB K E < +P 76 0D 42 -5,-1.7 -5,-2.7 1,-0.0 -1,-0.2 -0.880 4.7 136.7-106.1 116.5 -8.1 0.9 17.2 82 60GB N E -P 75 0D 115 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.489 32.7-166.2-157.6 75.9 -9.9 -2.1 15.8 83 60HB F - 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