==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-11 3R3G . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,R.CHEN,Z.CHEN,A.BAH,E.DI CERA . 282 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.3 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 . 74 26.2 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.9 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 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 . 3 4 0 4 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 0 139 0, 0.0 3,-1.9 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 -25.0 -14.7 -32.3 28.3 2 1BA A T 3 - 0 0 89 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.347 360.0 -34.5 50.8-138.0 -13.1 -35.7 27.5 3 1AA D T > S+ 0 0 89 2,-0.0 3,-1.6 3,-0.0 -1,-0.2 0.144 91.9 152.7 -95.0 20.1 -10.3 -35.1 25.0 4 1 A a T < + 0 0 13 -3,-1.9 139,-0.2 1,-0.2 140,-0.1 -0.048 63.0 16.6 -52.1 146.5 -12.0 -32.3 23.1 5 2 A G T 3 S+ 0 0 0 137,-2.8 239,-1.8 238,-0.2 2,-0.7 0.457 93.5 112.8 75.4 0.1 -9.8 -29.7 21.4 6 3 A L < - 0 0 30 -3,-1.6 -1,-0.2 136,-0.3 237,-0.1 -0.920 61.7-142.2-107.8 110.7 -6.6 -31.9 21.5 7 4 A R > > - 0 0 0 -2,-0.7 5,-2.4 1,-0.1 3,-1.0 -0.539 5.9-140.8 -78.4 131.4 -5.7 -32.9 17.9 8 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 0.864 103.1 42.4 -56.2 -37.7 -4.3 -36.4 17.4 9 6 A L T 3 5S+ 0 0 34 129,-0.4 32,-0.1 31,-0.3 129,-0.0 0.515 129.2 22.5 -91.0 -5.3 -1.7 -35.2 14.9 10 7 A F T X >S+ 0 0 14 -3,-1.0 5,-2.4 30,-0.2 3,-1.5 0.537 126.9 24.0-121.8 -89.0 -0.7 -32.1 16.8 11 8 A E G > 5S+ 0 0 28 1,-0.3 3,-1.6 3,-0.2 -5,-0.1 0.878 121.3 55.8 -51.9 -42.1 -1.1 -31.6 20.5 12 9 A K G 3 > S+ 0 0 38 2,-0.1 3,-0.9 1,-0.0 4,-0.8 0.432 87.0 100.5-132.6 0.6 0.5 -20.8 12.3 20 14CA E H >> S+ 0 0 3 1,-0.2 4,-2.1 -3,-0.2 3,-0.5 0.815 79.3 63.6 -58.4 -32.0 -0.9 -21.6 15.8 21 14DA R H 3> S+ 0 0 140 -4,-0.4 4,-3.0 1,-0.3 -1,-0.2 0.860 95.5 59.6 -61.4 -35.6 1.9 -19.5 17.4 22 14EA E H <> S+ 0 0 50 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.862 105.5 49.5 -57.3 -39.2 0.6 -16.4 15.6 23 14FA L H X S+ 0 0 36 -4,-2.1 4,-1.2 1,-0.2 3,-0.9 0.878 109.1 57.5 -63.8 -36.3 -1.0 -17.4 20.9 25 14HA E H 3X S+ 0 0 100 -4,-3.0 4,-2.5 1,-0.2 3,-0.3 0.861 100.4 57.8 -61.6 -35.4 1.3 -14.4 20.2 26 14IA S H 3< S+ 0 0 21 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.761 105.9 50.3 -66.3 -24.0 -1.7 -12.2 19.7 27 14JA Y H << S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.764 116.6 40.2 -82.0 -27.5 -3.0 -13.1 23.3 28 14KA I H < 0 0 142 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.749 360.0 360.0 -95.6 -30.7 0.3 -12.3 24.9 29 14LA D < 0 0 184 -4,-2.5 -3,-0.1 -5,-0.2 -2,-0.1 0.940 360.0 360.0 -71.7 360.0 1.4 -9.1 23.0 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 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.4 -11.9 -18.7 2.5 32 17 B V B +A 224 0A 5 192,-3.3 192,-1.4 1,-0.2 138,-0.1 -0.804 360.0 0.4 -96.0 134.7 -10.2 -15.7 0.9 33 18 B E S S+ 0 0 97 136,-0.6 -1,-0.2 -2,-0.4 189,-0.2 0.780 100.9 122.1 62.6 29.6 -6.4 -15.2 1.4 34 19 B G - 0 0 28 -3,-0.4 2,-0.3 135,-0.1 154,-0.2 -0.150 54.5-120.5 -97.2-159.3 -6.0 -18.3 3.5 35 20 B S E -B 187 0B 57 152,-1.9 152,-2.4 -2,-0.1 2,-0.1 -0.922 35.2 -77.0-140.8 165.2 -3.7 -21.3 3.0 36 21 B D E -B 186 0B 98 -2,-0.3 150,-0.2 150,-0.2 2,-0.1 -0.439 53.4-116.7 -62.1 132.6 -4.1 -25.0 2.5 37 22 B A - 0 0 7 148,-3.0 2,-0.2 59,-0.2 148,-0.1 -0.442 25.7-115.9 -65.6 143.9 -4.8 -26.8 5.8 38 23 B E > - 0 0 45 1,-0.1 3,-2.3 -2,-0.1 4,-0.3 -0.562 48.6 -79.7 -71.7 149.0 -2.2 -29.2 7.1 39 24 B I T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.281 117.8 4.7 -49.7 125.3 -3.4 -32.8 7.4 40 25 B G T 3 S+ 0 0 9 2,-0.1 -31,-0.3 99,-0.1 -1,-0.3 0.599 90.6 127.4 71.1 13.0 -5.4 -33.2 10.6 41 26 B M S < S+ 0 0 8 -3,-2.3 -2,-0.1 1,-0.3 -34,-0.1 0.791 83.2 23.2 -67.6 -31.5 -5.2 -29.5 11.4 42 27 B S > + 0 0 13 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.598 68.9 163.7-136.8 67.1 -9.0 -29.1 11.9 43 28 B P T 3 S+ 0 0 3 0, 0.0 98,-1.3 0, 0.0 51,-0.2 0.618 73.7 62.9 -72.8 -10.1 -10.3 -32.6 12.7 44 29 B W T 3 S+ 0 0 3 96,-0.2 18,-2.0 98,-0.1 99,-0.1 0.402 76.8 127.1 -85.2 -2.7 -13.6 -31.2 14.0 45 30 B Q E < -J 61 0C 7 -3,-2.0 49,-1.0 16,-0.2 2,-0.3 -0.371 37.2-176.2 -61.1 134.0 -14.4 -29.8 10.5 46 31 B V E -JK 60 93C 1 14,-2.0 14,-1.4 47,-0.2 2,-0.5 -0.964 15.4-149.4-129.9 145.5 -17.8 -30.8 9.0 47 32 B M E -JK 59 92C 11 45,-2.4 45,-2.3 -2,-0.3 2,-0.5 -0.960 11.4-145.1-114.3 133.5 -19.3 -30.2 5.6 48 33 B L E -JK 58 91C 0 10,-2.9 9,-3.2 -2,-0.5 10,-1.3 -0.884 24.4-178.3-102.3 124.2 -23.0 -29.9 5.2 49 34 B F E -JK 56 90C 16 41,-2.8 41,-2.3 -2,-0.5 2,-0.3 -0.901 35.1-115.5-121.2 147.0 -24.5 -31.2 2.0 50 35 B R E > -JK 55 89C 70 5,-2.8 5,-1.0 -2,-0.3 39,-0.3 -0.663 36.2-134.8 -69.2 134.8 -27.8 -31.5 0.2 51 36 B K T 5S+ 0 0 92 37,-2.8 38,-0.1 -2,-0.3 -1,-0.1 0.941 76.1 34.4 -65.1 -53.6 -28.4 -35.3 0.1 52 36AB S T 5S+ 0 0 100 1,-0.3 -1,-0.2 36,-0.3 2,-0.2 -0.909 120.8 24.6-161.7 128.1 -29.6 -35.8 -3.5 53 37 B P T 5S- 0 0 92 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.714 109.5-112.6 -59.0 162.7 -28.8 -34.3 -5.9 54 38 B Q T 5 + 0 0 120 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.415 47.0 158.1 -74.2 140.5 -25.5 -33.5 -4.2 55 39 B E E < -J 50 0C 88 -5,-1.0 -5,-2.8 -2,-0.1 2,-0.4 -0.858 39.6-126.1-163.0 128.7 -24.6 -29.9 -3.2 56 40 B L E +J 49 0C 58 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.637 35.1 168.2 -74.4 124.2 -22.2 -28.3 -0.7 57 41 B L E - 0 0 24 -9,-3.2 2,-0.3 -2,-0.4 171,-0.2 0.812 49.3 -27.2-104.2 -41.8 -24.3 -26.0 1.5 58 42 B b E -J 48 0C 8 -10,-1.3 -10,-2.9 171,-0.1 -1,-0.3 -0.968 56.2 -95.7-166.6 164.2 -22.3 -24.8 4.5 59 43 B G E +J 47 0C 6 171,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.478 38.8 170.1 -86.2 173.0 -19.5 -25.5 7.0 60 44 B A E -J 46 0C 0 -14,-1.4 -14,-2.0 -2,-0.2 2,-0.3 -0.912 21.7-126.2-168.2 178.4 -20.2 -27.0 10.5 61 45 B S E -JL 45 69C 0 8,-1.9 8,-2.4 -2,-0.3 2,-0.6 -0.990 15.9-120.5-146.0 153.2 -18.1 -28.5 13.4 62 46 B L E + L 0 68C 0 -18,-2.0 81,-2.2 -2,-0.3 6,-0.2 -0.809 29.7 169.3 -98.2 122.3 -18.1 -31.7 15.4 63 47 B I - 0 0 22 4,-2.7 2,-0.3 -2,-0.6 5,-0.2 0.515 67.8 -9.1-112.5 -5.5 -18.7 -31.1 19.1 64 48 B S S S- 0 0 35 3,-1.0 -1,-0.2 80,-0.1 70,-0.1 -0.910 89.9 -76.1-163.3-172.1 -19.1 -34.7 20.4 65 49 B D S S+ 0 0 74 -2,-0.3 69,-2.6 1,-0.2 67,-0.1 0.662 130.7 23.0 -69.7 -10.6 -19.5 -38.2 18.8 66 50 B R S S+ 0 0 63 67,-0.2 64,-3.1 1,-0.1 2,-0.4 0.471 107.2 79.2-132.1 -9.3 -23.2 -37.3 17.9 67 51 B W E - M 0 129C 10 62,-0.2 -4,-2.7 60,-0.0 -3,-1.0 -0.928 47.1-172.1-120.7 133.7 -23.6 -33.5 17.7 68 52 B V E -LM 62 128C 0 60,-2.5 60,-2.4 -2,-0.4 2,-0.4 -0.961 13.3-147.3-122.0 136.6 -22.7 -31.0 15.0 69 53 B L E +LM 61 127C 0 -8,-2.4 -8,-1.9 -2,-0.4 2,-0.3 -0.855 29.9 147.9-106.4 137.8 -22.9 -27.2 15.4 70 54 B T E - M 0 126C 0 56,-2.7 56,-2.3 -2,-0.4 2,-0.4 -0.861 48.9 -72.8-150.3-176.0 -23.7 -24.9 12.5 71 55 B A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.5 -0.739 32.8-134.3 -87.2 137.8 -25.4 -21.6 11.6 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-1.9 0.884 104.5 62.0 -53.3 -41.6 -29.2 -21.5 11.7 73 57 B H G 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 178,-0.0 0.716 91.8 66.2 -66.1 -16.8 -29.3 -19.7 8.3 74 58 B b G <4 S+ 0 0 2 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.785 117.5 25.0 -68.3 -26.0 -27.7 -22.8 6.7 75 59 B L T <4 S+ 0 0 1 -3,-1.9 9,-2.5 -4,-0.5 2,-0.4 0.740 130.5 32.9-109.9 -33.5 -30.9 -24.7 7.5 76 60 B L E < +P 83 0D 32 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.954 60.2 135.4-135.3 112.4 -33.6 -22.1 7.8 77 60AB Y E > > -P 82 0D 47 5,-2.7 3,-2.0 -2,-0.4 5,-1.1 -0.517 22.4-175.3-155.9 84.9 -33.7 -18.9 5.7 78 60BB P G > 5S+ 0 0 54 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.765 80.0 68.7 -54.0 -35.0 -37.1 -18.0 4.1 79 60CB P G 3 5S+ 0 0 77 0, 0.0 39,-0.0 0, 0.0 -2,-0.0 0.701 111.6 35.1 -63.0 -15.3 -35.8 -15.0 2.2 80 60DB W G < 5S- 0 0 152 -3,-2.0 -3,-0.0 2,-0.1 0, 0.0 0.013 121.7-107.4-112.7 24.0 -33.9 -17.5 -0.0 81 60EB D T < 5 + 0 0 160 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.943 68.7 152.5 46.8 59.2 -36.7 -20.1 0.2 82 60FB K E < +P 77 0D 36 -5,-1.1 -5,-2.7 2,-0.0 -1,-0.2 -0.980 9.4 139.6-122.7 124.1 -34.6 -22.3 2.5 83 60GB N E -P 76 0D 115 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.432 27.7-175.1-161.5 73.7 -36.2 -24.6 5.0 84 60HB F - 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