==== 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 22-SEP-09 3JZ2 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.NIU,Z.CHEN,L.A.BUSH-PELC,A.BAH,P.S.GANDHI,E.DI CERA . 276 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 59.4 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 . 74 26.8 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 . 1 0.4 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.8 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 . 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 1DA G 0 0 54 0, 0.0 62,-0.1 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 65.4 26.1 4.7 -8.0 2 1CA E + 0 0 93 145,-0.1 62,-0.0 147,-0.0 147,-0.0 -0.181 360.0 67.9 140.1 -35.9 25.6 6.2 -11.5 3 1BA A S S+ 0 0 90 1,-0.1 146,-0.0 146,-0.0 0, 0.0 0.962 124.8 13.0 -68.6 -54.7 24.8 3.3 -13.9 4 1AA D S > S+ 0 0 72 144,-0.1 3,-1.4 2,-0.0 -1,-0.1 0.334 98.2 139.3-102.2 3.1 21.4 2.5 -12.4 5 1 A a T 3 + 0 0 3 1,-0.2 143,-0.3 143,-0.1 144,-0.1 -0.100 65.6 15.8 -53.0 144.1 21.2 5.7 -10.3 6 2 A G T 3 S+ 0 0 0 141,-2.8 234,-1.3 233,-0.2 2,-0.6 0.520 92.9 110.6 75.7 6.6 17.8 7.5 -10.1 7 3 A L < - 0 0 29 -3,-1.4 -1,-0.1 140,-0.3 232,-0.1 -0.961 63.2-141.4-116.8 108.3 15.7 4.7 -11.4 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.562 6.4-139.2 -78.7 128.2 13.6 3.4 -8.5 9 5 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.798 104.8 42.4 -55.5 -30.8 13.1 -0.4 -8.4 10 6 A L T 3 5S+ 0 0 30 133,-0.4 31,-0.1 30,-0.4 133,-0.1 0.444 128.6 23.1 -97.9 0.2 9.4 0.0 -7.5 11 7 A F T X >S+ 0 0 10 -3,-1.5 5,-2.9 29,-0.2 3,-1.7 0.524 128.4 22.6-125.0 -83.4 8.6 2.9 -9.9 12 8 A E G > 5S+ 0 0 20 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.892 120.9 57.8 -60.1 -39.5 10.6 3.5 -13.0 13 9 A K G 3 > S+ 0 0 33 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.402 85.9 102.1-121.5 2.5 2.8 13.6 -7.4 21 14CA E H >> S+ 0 0 6 1,-0.3 4,-2.1 2,-0.2 3,-0.6 0.833 78.3 63.8 -60.3 -29.2 5.7 13.2 -10.0 22 14DA R H 3> S+ 0 0 159 -4,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.839 94.2 61.4 -58.5 -35.1 3.4 14.7 -12.7 23 14EA E H <> S+ 0 0 32 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.863 107.6 44.3 -61.2 -36.4 3.4 17.9 -10.7 24 14FA L H < S+ 0 0 55 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.851 111.2 53.9 -64.8 -33.1 7.3 17.2 -14.8 26 14HA E H 3< S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 100.8 62.5 -69.8 -29.2 4.4 19.6 -15.6 27 14IA S H 3< S+ 0 0 16 -4,-0.9 2,-2.2 -3,-0.3 -1,-0.2 0.698 76.1 96.3 -65.7 -23.2 6.3 22.4 -13.9 28 14JA Y << 0 0 32 -3,-0.8 -1,-0.2 -4,-0.6 136,-0.1 -0.415 360.0 360.0 -76.0 76.5 9.2 22.2 -16.5 29 14KA I 0 0 171 -2,-2.2 -1,-0.2 0, 0.0 -2,-0.1 0.862 360.0 360.0 -91.8 360.0 8.0 25.0 -18.8 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 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 130.1 7.9 18.3 6.4 32 17 B V B +A 220 0A 22 188,-2.7 188,-1.6 142,-0.3 3,-0.1 -0.949 360.0 6.5-116.9 136.8 4.9 20.6 6.7 33 18 B E S S+ 0 0 144 -2,-0.4 185,-0.3 186,-0.2 -1,-0.2 0.827 97.9 131.9 59.3 38.3 1.9 20.4 4.4 34 19 B G - 0 0 29 -3,-0.2 2,-0.3 150,-0.1 150,-0.2 -0.341 50.1-127.6 -98.1-174.2 3.1 17.2 2.7 35 20 B S E -B 183 0B 55 148,-1.6 148,-2.3 -2,-0.1 2,-0.3 -0.840 40.3 -74.9-126.3 171.2 1.4 14.0 2.0 36 21 B D E -B 182 0B 102 -2,-0.3 146,-0.2 146,-0.2 145,-0.1 -0.501 47.2-130.9 -66.4 125.5 2.4 10.4 2.8 37 22 B A - 0 0 7 144,-3.3 2,-0.2 -2,-0.3 144,-0.1 -0.351 23.9-115.1 -64.9 157.4 5.2 9.1 0.6 38 23 B E > - 0 0 43 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.621 41.1 -82.7 -90.8 158.2 4.6 5.7 -1.1 39 24 B I T 3 S+ 0 0 84 1,-0.2 -1,-0.1 -2,-0.2 57,-0.1 -0.389 115.7 7.2 -56.9 132.3 6.8 2.7 -0.2 40 25 B G T 3 S+ 0 0 11 104,-0.1 -30,-0.4 55,-0.1 -1,-0.2 0.515 91.4 122.4 76.1 7.5 10.0 2.8 -2.3 41 26 B M S < S+ 0 0 3 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.664 85.2 24.1 -75.6 -18.8 9.4 6.3 -3.6 42 27 B S > + 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.458 69.4 162.8-147.1 60.8 12.6 7.7 -2.2 43 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.492 73.8 63.0 -74.9 0.5 15.0 4.7 -1.8 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 2,-0.3 0.429 74.9 122.3 -93.9 -4.8 18.0 7.0 -1.5 45 30 B Q E < -J 61 0C 5 -3,-2.3 49,-1.0 16,-0.2 2,-0.4 -0.419 40.6-177.0 -61.5 122.4 16.5 8.5 1.7 46 31 B V E -JK 60 93C 0 14,-2.7 14,-1.1 -2,-0.3 2,-0.4 -0.941 15.5-144.9-121.0 143.7 19.0 8.1 4.5 47 32 B M E -JK 59 92C 6 45,-2.4 45,-2.1 -2,-0.4 2,-0.5 -0.931 8.7-144.9-114.8 126.7 18.3 9.1 8.2 48 33 B L E -JK 58 91C 0 10,-2.5 9,-3.0 -2,-0.4 10,-1.4 -0.861 22.6-173.1 -92.1 122.3 21.2 10.5 10.4 49 34 B F E -JK 56 90C 33 41,-3.3 41,-2.1 -2,-0.5 2,-0.3 -0.915 27.7-127.6-116.7 144.3 21.0 9.5 14.1 50 35 B R E > -JK 55 89C 71 5,-2.7 5,-1.0 -2,-0.4 39,-0.2 -0.686 22.6-144.9 -71.5 135.0 22.9 10.4 17.2 51 36 B K T 5S+ 0 0 72 37,-3.5 3,-0.3 -2,-0.3 -1,-0.1 0.949 77.4 58.6 -65.9 -49.6 24.0 7.1 18.8 52 36AB S T 5S+ 0 0 96 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.957 120.2 10.5-144.0 112.4 23.6 8.2 22.5 53 37 B P T 5S- 0 0 94 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.667 105.3-114.8 -71.5 154.3 20.9 9.1 23.4 54 38 B Q T 5 + 0 0 125 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.379 53.4 152.2 -57.0 115.7 19.2 7.9 20.2 55 39 B E E < -J 50 0C 94 -5,-1.0 -5,-2.7 -2,-0.2 2,-0.4 -0.970 48.2-116.5-148.2 139.9 17.8 10.9 18.3 56 40 B L E +J 49 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.582 35.6 172.6 -69.0 122.9 17.0 11.7 14.7 57 41 B L E - 0 0 29 -9,-3.0 2,-0.3 -2,-0.4 -8,-0.2 0.814 51.2 -28.7-100.6 -41.3 19.3 14.6 13.7 58 42 B b E -J 48 0C 5 -10,-1.4 -10,-2.5 167,-0.1 -1,-0.3 -0.966 55.2 -96.5-166.0 167.4 18.9 15.0 10.0 59 43 B G E +J 47 0C 0 167,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.436 38.8 170.5 -88.5 174.3 18.1 13.6 6.6 60 44 B A E -J 46 0C 0 -14,-1.1 -14,-2.7 -2,-0.2 2,-0.4 -0.944 21.5-121.5-169.9 174.7 20.7 12.5 4.1 61 45 B S E -JL 45 69C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.989 12.1-125.1-140.7 151.6 21.0 10.7 0.8 62 46 B L E + L 0 68C 0 -18,-2.0 86,-2.0 -2,-0.4 6,-0.2 -0.789 28.0 166.4 -94.2 120.6 22.6 7.6 -0.7 63 47 B I S S- 0 0 9 4,-2.2 2,-0.3 -2,-0.6 87,-0.2 0.466 72.3 -6.0-114.2 -6.5 24.8 8.3 -3.8 64 48 B S S S- 0 0 23 3,-0.9 3,-0.3 85,-0.1 -1,-0.3 -0.926 89.8 -79.8-167.5 178.1 26.6 4.9 -3.9 65 49 B D S S+ 0 0 70 -2,-0.3 74,-2.4 1,-0.2 72,-0.1 0.643 129.2 26.4 -64.7 -11.9 26.8 1.7 -1.8 66 50 B R S S+ 0 0 65 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.493 106.6 80.1-125.9 -11.1 29.3 3.5 0.6 67 51 B W E - M 0 134C 14 -3,-0.3 -4,-2.2 67,-0.2 -3,-0.9 -0.893 46.7-173.5-120.4 136.3 28.6 7.2 0.3 68 52 B V E -LM 62 133C 0 65,-1.8 65,-2.7 -2,-0.4 2,-0.4 -0.989 12.3-150.6-129.7 125.4 26.1 9.4 2.0 69 53 B L E +LM 61 132C 0 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.3 -0.772 30.0 146.3 -97.0 137.2 25.6 13.1 1.2 70 54 B T E - M 0 131C 0 61,-2.4 61,-2.4 -2,-0.4 2,-0.3 -0.911 49.6 -73.3-152.8-179.4 24.2 15.5 3.9 71 55 B A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.4 -0.660 32.2-135.0 -82.0 141.6 24.4 19.1 5.2 72 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-2.0 0.864 104.1 64.6 -63.1 -32.4 27.6 20.1 7.1 73 57 B H G 34 S+ 0 0 9 1,-0.3 -1,-0.3 2,-0.2 174,-0.0 0.694 90.4 66.3 -71.1 -12.8 25.5 21.8 9.8 74 58 B b G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.735 117.4 24.2 -72.3 -21.9 24.1 18.4 10.7 75 59 B L T <4 S+ 0 0 0 -3,-2.0 9,-2.1 -4,-0.4 2,-0.4 0.690 128.3 36.0-112.3 -30.4 27.6 17.4 11.9 76 60 B L E < +P 83 0D 37 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.935 55.3 138.9-138.3 107.5 29.4 20.7 12.8 77 60AB Y E > > -P 82 0D 37 5,-3.0 5,-2.2 -2,-0.4 3,-1.5 -0.673 23.1-173.5-148.9 87.4 27.6 23.6 14.4 78 60BB P G > 5S+ 0 0 52 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.778 78.3 65.4 -58.2 -36.0 29.8 25.2 17.1 79 60CB P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.764 110.9 40.1 -60.3 -22.2 27.3 27.8 18.4 80 60DB W G < 5S- 0 0 127 -3,-1.5 3,-0.1 2,-0.1 -3,-0.0 0.029 119.7-111.0-108.7 25.1 25.2 24.8 19.6 81 60EB D T < 5 + 0 0 153 -3,-2.2 2,-0.6 1,-0.2 -5,-0.0 0.804 67.2 151.6 49.2 38.1 28.2 22.8 20.7 82 60FB K E < +P 77 0D 43 -5,-2.2 -5,-3.0 1,-0.1 -1,-0.2 -0.876 5.1 138.2-105.4 116.0 27.7 20.3 17.9 83 60GB N E -P 76 0D 119 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.500 30.2-170.7-154.2 71.7 30.8 18.6 16.6 84 60HB F - 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