==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE RECEPTOR 19-JAN-11 3QDZ . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.GANDHI,Z.CHEN,E.APPELBAUM,F.ZAPATA,E.DI CERA . 579 7 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 40 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 2 1 3 0 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 14 9 4 5 2 4 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 1 0 0 1 1 1 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 64 0, 0.0 3,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -21.7 -16.2 -22.5 16.1 2 1BA A T 3 - 0 0 77 1,-0.2 0, 0.0 379,-0.2 0, 0.0 -0.381 360.0 -37.2 56.2-107.1 -19.7 -23.0 14.6 3 1AA D T > S+ 0 0 64 -2,-0.4 3,-1.0 145,-0.1 -1,-0.2 0.336 92.7 134.2-132.2 8.1 -19.7 -26.4 13.0 4 1 A a T < + 0 0 21 -3,-1.6 2,-1.1 1,-0.2 144,-0.2 0.232 64.9 18.5 -50.7 179.5 -16.3 -27.0 11.5 5 2 A G T 3 S+ 0 0 0 142,-1.5 239,-1.6 238,-0.1 2,-0.8 0.341 87.6 116.8 35.4 4.7 -14.2 -30.1 11.9 6 3 A L < - 0 0 19 -2,-1.1 -1,-0.1 -3,-1.0 237,-0.1 -0.850 62.6-138.7-104.6 101.4 -17.0 -32.4 13.0 7 4 A R >>> - 0 0 0 -2,-0.8 5,-1.9 1,-0.1 3,-1.5 -0.385 4.3-149.0 -60.0 117.7 -17.4 -35.1 10.3 8 5 A P T 345S+ 0 0 15 0, 0.0 5,-0.3 0, 0.0 2,-0.2 0.927 97.0 49.4 -53.2 -53.7 -21.1 -35.7 9.6 9 6 A L T 345S+ 0 0 26 134,-0.7 -2,-0.1 31,-0.2 134,-0.0 0.035 130.5 16.7 -79.7 30.7 -20.7 -39.4 8.8 10 7 A F T X>>S+ 0 0 11 -3,-1.5 5,-3.1 -2,-0.2 4,-0.6 0.064 127.1 32.8-155.2 -87.9 -18.7 -39.8 12.0 11 8 A E T 3<5S+ 0 0 33 -4,-0.5 -2,-0.1 1,-0.3 5,-0.1 0.747 125.4 48.1 -59.6 -24.4 -18.6 -37.5 14.9 12 9 A K T 34 S+ 0 0 32 2,-0.1 3,-1.9 169,-0.0 4,-0.4 0.678 81.9 90.8-130.9 -29.4 -7.6 -45.0 12.4 20 14CA E T >> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 3,-2.3 0.781 76.5 69.6 -44.4 -41.9 -8.1 -42.1 14.9 21 14DA R H 3> S+ 0 0 147 -4,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.866 91.0 65.0 -48.0 -36.9 -7.4 -44.0 18.1 22 14EA E H <> S+ 0 0 48 -3,-1.9 4,-1.0 2,-0.2 -1,-0.3 0.858 109.8 37.0 -52.3 -38.4 -3.8 -44.2 16.9 23 14FA L H X4 S+ 0 0 0 -3,-2.3 3,-0.7 -4,-0.4 4,-0.3 0.937 112.0 55.6 -77.9 -55.0 -3.7 -40.4 17.3 24 14GA L H 3< S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.3 4,-0.3 0.737 111.3 50.6 -51.8 -18.7 -5.8 -40.2 20.3 25 14HA E H >X S+ 0 0 83 -4,-1.7 4,-2.7 -5,-0.4 3,-1.0 0.828 93.1 70.2 -89.8 -32.4 -3.2 -42.6 21.6 26 14IA S T << S+ 0 0 3 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.316 89.3 65.5 -70.7 12.2 -0.1 -40.5 20.6 27 14JA Y T 34 S+ 0 0 8 -3,-0.4 437,-0.3 -4,-0.3 -1,-0.2 0.794 111.9 32.3 -95.9 -39.9 -0.9 -37.9 23.3 28 14KA I T <4 0 0 129 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.897 360.0 360.0 -77.4 -48.5 -0.3 -40.4 26.2 29 14LA D < 0 0 142 -4,-2.7 434,-0.0 434,-0.1 0, 0.0 -0.264 360.0 360.0 -84.1 360.0 2.3 -42.2 24.1 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,-0.7 0, 0.0 194,-0.2 0.000 360.0 360.0 360.0 117.6 0.5 -40.8 -0.4 32 17 B V B 3 -A 224 0A 7 192,-1.3 192,-1.9 1,-0.2 143,-0.1 -0.362 360.0 -7.1 -60.9 123.1 3.5 -43.1 0.1 33 18 B E T 3 S+ 0 0 127 141,-0.5 2,-0.3 190,-0.2 -1,-0.2 0.951 101.9 133.8 56.6 58.8 2.8 -46.2 2.3 34 19 B G < - 0 0 26 -3,-0.7 154,-0.2 1,-0.1 -1,-0.2 -0.984 54.4-101.4-146.7 154.7 -0.7 -45.4 3.4 35 20 B S - 0 0 64 -2,-0.3 152,-0.6 151,-0.1 2,-0.4 0.343 38.1-108.4 -49.0-176.7 -4.2 -46.7 3.9 36 21 B D B -B 186 0B 78 150,-0.2 150,-0.2 1,-0.1 149,-0.1 -0.962 43.5-101.4-122.1 139.1 -7.2 -46.0 1.7 37 22 B A - 0 0 14 148,-3.2 2,-0.4 -2,-0.4 -1,-0.1 -0.013 20.5-123.7 -62.9 163.4 -9.9 -43.6 2.9 38 23 B E - 0 0 32 1,-0.1 3,-0.4 0, 0.0 4,-0.2 -0.902 51.0 -83.6-105.9 135.0 -13.3 -44.3 4.5 39 24 B I S S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.2 57,-0.0 -0.128 115.7 5.7 -43.4 116.8 -16.2 -42.7 2.7 40 25 B G S S+ 0 0 15 104,-0.1 -1,-0.2 2,-0.1 -31,-0.2 0.964 87.4 133.2 70.6 56.3 -16.4 -39.2 4.0 41 26 B M S S+ 0 0 7 -3,-0.4 -2,-0.1 1,-0.2 -34,-0.1 0.806 80.0 24.6-102.2 -42.2 -13.3 -39.2 6.2 42 27 B S S > S+ 0 0 6 -4,-0.2 3,-1.4 1,-0.1 52,-0.2 -0.666 72.9 170.3-123.3 68.9 -11.7 -35.9 5.2 43 28 B P T 3 S+ 0 0 2 0, 0.0 103,-2.4 0, 0.0 99,-0.2 0.374 74.0 64.1 -61.8 0.6 -14.9 -34.1 4.0 44 29 B W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 2,-0.3 -0.019 77.8 129.0-112.8 22.2 -12.9 -30.9 3.8 45 30 B Q E < -D 61 0C 4 -3,-1.4 49,-1.0 16,-0.2 2,-0.3 -0.602 36.2-174.9 -83.5 141.9 -10.8 -32.4 1.1 46 31 B V E -DE 60 93C 0 14,-2.2 14,-1.5 -2,-0.3 2,-0.4 -0.937 16.9-142.0-135.7 156.9 -10.3 -30.4 -2.2 47 32 B M E -DE 59 92C 3 45,-1.0 45,-0.9 -2,-0.3 2,-0.7 -0.973 12.6-141.0-122.1 136.8 -8.7 -31.0 -5.6 48 33 B L E -DE 58 91C 0 10,-2.5 9,-3.0 -2,-0.4 10,-1.0 -0.863 24.9-171.4-101.6 115.5 -6.8 -28.4 -7.5 49 34 B F E -DE 56 90C 13 41,-2.4 41,-1.8 -2,-0.7 2,-0.4 -0.872 27.0-131.5-113.9 139.8 -7.5 -28.5 -11.3 50 35 B R E > -DE 55 89C 83 5,-2.6 5,-1.6 -2,-0.4 39,-0.3 -0.688 27.7-139.3 -78.1 129.2 -5.9 -26.8 -14.2 51 36 B K T 5S+ 0 0 70 37,-5.3 -1,-0.2 -2,-0.4 38,-0.1 0.977 78.4 41.6 -54.1 -80.7 -8.9 -25.6 -16.2 52 36AB S T 5S+ 0 0 108 1,-0.3 -1,-0.3 36,-0.2 2,-0.1 -0.972 121.1 28.3-122.3 122.2 -7.8 -26.3 -19.8 53 37 B P T 5S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 0.417 106.7-121.6 -77.2 138.0 -6.5 -28.8 -20.3 54 38 B Q T 5 + 0 0 125 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.2 -0.212 51.4 167.9 -43.5 114.8 -8.5 -30.3 -17.3 55 39 B E E < -D 50 0C 86 -5,-1.6 -5,-2.6 -3,-0.0 2,-0.6 -0.996 42.0-120.0-143.1 144.5 -5.5 -31.4 -15.2 56 40 B L E +D 49 0C 51 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.734 43.1 155.3 -83.7 117.4 -4.7 -32.7 -11.6 57 41 B L E - 0 0 21 -9,-3.0 2,-0.3 -2,-0.6 171,-0.2 0.838 50.3 -27.9-110.1 -53.3 -2.3 -30.3 -9.9 58 42 B b E -D 48 0C 9 -10,-1.0 -10,-2.5 173,-0.1 -1,-0.3 -0.858 56.3 -95.5-153.4-171.3 -2.5 -30.2 -6.2 59 43 B G E +D 47 0C 6 171,-2.5 12,-0.5 -2,-0.3 2,-0.3 -0.692 33.0 176.5-116.3 167.5 -4.5 -30.8 -3.0 60 44 B A E -DF 46 70C 0 -14,-1.5 -14,-2.2 -2,-0.2 2,-0.4 -0.987 22.1-122.2-163.6 169.9 -6.4 -28.5 -0.7 61 45 B S E -DF 45 69C 0 8,-0.6 8,-2.6 -2,-0.3 2,-0.6 -0.956 18.2-133.1-127.0 142.5 -8.7 -28.0 2.3 62 46 B L E + F 0 68C 0 -18,-2.1 86,-2.7 -2,-0.4 6,-0.2 -0.849 24.5 173.8 -93.2 117.1 -12.1 -26.5 2.7 63 47 B I - 0 0 21 4,-1.8 2,-0.3 -2,-0.6 5,-0.1 0.301 68.2 -16.0-107.8 6.9 -12.1 -24.1 5.7 64 48 B S S S- 0 0 34 3,-0.7 -1,-0.2 85,-0.1 75,-0.1 -0.926 85.9 -76.9 175.4-177.5 -15.7 -22.7 5.2 65 49 B D S S+ 0 0 65 -2,-0.3 74,-0.5 1,-0.2 3,-0.1 0.497 127.6 32.3 -80.1 -3.0 -18.3 -22.5 2.5 66 50 B R S S+ 0 0 69 72,-0.2 69,-2.1 1,-0.1 2,-0.3 0.622 109.9 61.9-124.8 -23.8 -16.4 -19.8 0.6 67 51 B W E - G 0 134C 2 67,-0.2 -4,-1.8 65,-0.0 -3,-0.7 -0.880 50.4-166.6-119.2 146.0 -12.7 -20.3 1.2 68 52 B V E -FG 62 133C 0 65,-2.1 65,-2.0 -2,-0.3 -6,-0.2 -0.985 13.1-146.8-125.9 132.6 -10.1 -23.0 0.4 69 53 B L E +F 61 0C 1 -8,-2.6 -8,-0.6 -2,-0.4 2,-0.3 -0.240 30.1 144.2 -87.7 178.4 -6.5 -23.3 1.8 70 54 B T E -F 60 0C 0 61,-0.2 61,-1.4 -10,-0.2 2,-0.4 -0.958 48.9 -58.8 167.2 175.4 -3.5 -24.7 -0.0 71 55 B A >> - 0 0 0 -12,-0.5 3,-1.0 -2,-0.3 4,-0.6 -0.665 37.1-139.8 -83.9 135.2 0.3 -24.7 -0.8 72 56 B A H >> S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.2 3,-1.1 0.894 99.1 60.9 -58.9 -42.9 1.6 -21.4 -2.2 73 57 B H H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 178,-0.0 0.672 92.0 65.9 -61.0 -21.0 3.8 -23.2 -4.7 74 58 B b H <4 S+ 0 0 2 -3,-1.0 -1,-0.2 1,-0.2 3,-0.2 0.859 112.8 33.5 -68.2 -35.8 0.9 -24.9 -6.5 75 59 B L H << S+ 0 0 0 -3,-1.1 9,-1.5 -4,-0.6 2,-0.4 0.820 132.0 27.8 -88.9 -36.5 -0.4 -21.6 -7.7 76 60 B L B < +J 83 0D 36 -4,-2.1 -1,-0.2 7,-0.2 7,-0.2 -0.839 61.2 138.5-136.4 101.0 3.0 -19.9 -8.1 77 60AB Y > - 0 0 35 5,-1.3 3,-2.4 -2,-0.4 5,-0.1 -0.588 20.7-175.7-140.1 80.2 6.2 -21.6 -8.9 78 60BB P G > S+ 0 0 48 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.799 79.5 68.7 -39.6 -44.3 8.4 -19.8 -11.5 79 60CB P G 3 S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.716 110.8 33.0 -53.2 -26.5 11.0 -22.6 -11.6 80 60DB W G < S- 0 0 122 -3,-2.4 -3,-0.1 2,-0.1 0, 0.0 -0.189 123.6-109.8-118.2 34.7 8.5 -25.0 -13.3 81 60EB D < + 0 0 150 -3,-2.7 2,-0.4 1,-0.2 -5,-0.0 0.875 64.7 155.3 30.3 84.8 7.1 -21.9 -15.0 82 60FB K + 0 0 44 -5,-0.1 -5,-1.3 2,-0.0 -1,-0.2 -0.980 9.8 148.9-138.6 117.9 3.8 -21.9 -13.1 83 60GB N B -J 76 0D 118 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.328 23.2-177.7-153.0 67.0 1.9 -18.7 -12.7 84 60HB F - 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