==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 16-OCT-96 1UVS . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.A.ENGH,R.HUBER . 268 7 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 64.2 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 . 74 27.6 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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 0 1 0 1 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 4 1 3 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 1BL A 0 0 124 0, 0.0 2,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.8 -1.4 90.7 151.2 2 1AL D + 0 0 85 2,-0.1 3,-0.2 3,-0.0 2,-0.1 -0.463 360.0 159.8 -82.6 67.4 -4.2 88.8 149.3 3 1 L a + 0 0 27 -2,-1.9 2,-0.9 1,-0.2 143,-0.3 -0.430 59.6 19.0 -84.5 162.6 -5.5 86.7 152.1 4 2 L G S S+ 0 0 0 141,-2.4 2,-1.2 234,-0.2 -1,-0.2 0.152 90.4 117.2 68.1 -25.0 -8.9 85.2 152.1 5 3 L L - 0 0 27 -2,-0.9 -1,-0.2 -3,-0.2 233,-0.1 -0.660 59.7-147.3 -81.0 96.3 -9.1 85.6 148.3 6 4 L R > > - 0 0 0 -2,-1.2 5,-2.0 1,-0.1 3,-1.0 -0.493 2.6-146.7 -66.9 124.1 -9.4 82.0 147.0 7 5 L P T 3 >S+ 0 0 24 0, 0.0 5,-0.5 0, 0.0 -1,-0.1 0.954 97.8 49.2 -55.0 -55.9 -7.7 81.6 143.6 8 6 L L T 3 5S+ 0 0 54 133,-0.7 31,-0.1 30,-0.2 -2,-0.1 0.561 131.2 15.8 -63.9 -9.1 -10.1 79.0 142.3 9 7 L F T X >S+ 0 0 15 -3,-1.0 5,-2.7 29,-0.1 3,-1.2 0.485 129.6 28.2-126.4 -86.4 -13.1 81.1 143.3 10 8 L E G > 5S+ 0 0 23 1,-0.3 3,-2.4 3,-0.2 -5,-0.1 0.919 121.9 51.7 -48.6 -53.5 -12.8 84.9 144.2 11 9 L K G 3 > - 0 0 2 -2,-0.3 3,-1.3 23,-0.1 4,-0.5 -0.412 34.8-103.8 -77.7 159.7 -19.0 77.8 145.9 17 14AL K T 34 S+ 0 0 177 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.867 116.7 35.9 -48.4 -54.3 -22.4 76.2 146.3 18 14BL T T >> S+ 0 0 32 1,-0.2 4,-0.8 2,-0.1 3,-0.5 0.413 90.9 96.5 -86.6 4.1 -23.0 77.0 150.0 19 14CL E H X> S+ 0 0 6 -3,-1.3 4,-1.3 1,-0.2 3,-0.6 0.902 75.7 59.3 -59.3 -46.2 -21.3 80.4 149.9 20 14DL R H 3X S+ 0 0 39 -4,-0.5 4,-2.7 -3,-0.4 -1,-0.2 0.819 94.5 66.1 -54.0 -35.6 -24.6 82.4 149.4 21 14EL E H <> S+ 0 0 70 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.931 101.1 48.1 -52.8 -51.3 -26.0 81.0 152.7 22 14FL L H X S+ 0 0 59 -4,-1.3 3,-1.3 1,-0.2 4,-0.9 0.902 108.6 53.7 -59.0 -42.8 -24.0 86.1 153.0 24 14HL E H >< S+ 0 0 147 -4,-2.7 3,-0.6 1,-0.3 -1,-0.2 0.843 102.6 59.4 -61.6 -31.9 -27.8 85.9 153.3 25 14IL S H 3< S+ 0 0 20 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.709 98.8 59.0 -68.1 -22.8 -27.3 85.4 157.1 26 14JL Y H << 0 0 19 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.780 360.0 360.0 -76.9 -28.6 -25.6 88.8 157.2 27 14KL I << 0 0 194 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 -0.269 360.0 360.0 53.1 360.0 -28.6 90.6 155.8 28 !* 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 29 16 H I > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.4 -18.1 66.6 160.7 30 17 H V B 3 -A 219 0A 10 189,-2.6 189,-1.5 1,-0.2 143,-0.1 -0.730 360.0 -0.6 -91.0 135.8 -21.7 65.6 161.3 31 18 H E T 3 S+ 0 0 120 -2,-0.4 -1,-0.2 141,-0.4 186,-0.1 0.727 102.4 132.2 59.6 27.3 -24.3 66.6 158.7 32 19 H G < - 0 0 27 -3,-0.6 2,-0.3 140,-0.1 151,-0.2 -0.130 45.5-133.5 -92.4-166.9 -21.6 68.2 156.6 33 20 H S E -B 182 0B 72 149,-1.9 149,-2.5 -3,-0.1 2,-0.2 -0.940 31.1 -73.6-147.3 165.8 -20.9 67.9 152.9 34 21 H D E -B 181 0B 100 -2,-0.3 147,-0.2 147,-0.2 2,-0.2 -0.407 46.6-128.3 -65.3 130.5 -18.0 67.3 150.5 35 22 H A - 0 0 5 145,-2.4 145,-0.1 -2,-0.2 2,-0.1 -0.536 23.3-119.0 -78.1 144.4 -15.7 70.4 150.0 36 23 H E > - 0 0 57 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.442 44.5 -78.4 -79.9 159.9 -15.1 71.4 146.4 37 24 H I T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 57,-0.0 -0.418 119.2 5.4 -62.1 119.0 -11.5 71.4 145.0 38 25 H G T 3 S+ 0 0 12 -2,-0.3 -1,-0.3 2,-0.1 -30,-0.2 0.692 88.2 129.7 80.4 20.5 -9.8 74.5 146.4 39 26 H M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.798 83.0 25.0 -74.6 -31.5 -12.7 75.6 148.6 40 27 H S > + 0 0 13 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.722 66.0 169.6-135.7 82.1 -10.4 76.0 151.6 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.1 0, 0.0 51,-0.2 0.668 80.7 58.7 -65.6 -20.3 -6.8 76.7 150.4 42 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.474 77.2 120.8 -87.4 -5.7 -5.9 77.6 154.0 43 30 H Q E < +J 59 0C 4 -3,-1.5 49,-1.0 16,-0.2 50,-0.4 -0.451 39.1 177.9 -64.9 124.3 -6.9 74.2 155.2 44 31 H V E -JK 58 91C 0 14,-3.0 14,-2.0 -2,-0.2 2,-0.4 -0.961 18.2-147.0-128.9 144.0 -3.9 72.4 156.9 45 32 H M E -JK 57 90C 2 45,-2.0 45,-1.7 -2,-0.3 2,-0.5 -0.956 12.6-138.4-115.9 131.6 -3.8 69.0 158.5 46 33 H L E -JK 56 89C 0 10,-2.6 9,-2.9 -2,-0.4 10,-1.0 -0.783 23.1-173.8 -91.7 129.6 -1.6 68.2 161.5 47 34 H F E -JK 54 88C 23 41,-2.9 41,-2.0 -2,-0.5 2,-0.4 -0.851 21.0-132.2-121.7 155.2 0.2 64.9 161.6 48 35 H R E > -JK 53 87C 76 5,-2.1 5,-0.8 -2,-0.3 39,-0.3 -0.877 17.9-135.7-104.6 136.8 2.4 63.1 164.1 49 36 H K T 5S+ 0 0 64 37,-2.0 3,-0.3 -2,-0.4 -1,-0.1 0.964 83.1 43.1 -56.3 -60.7 5.7 61.6 162.8 50 36AH S T 5S+ 0 0 98 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.951 121.9 23.7-146.2 121.8 5.5 58.2 164.6 51 37 H P T 5S- 0 0 81 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.438 103.3-131.8 -70.2 134.6 3.1 56.6 164.7 52 38 H Q T 5 + 0 0 92 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.438 49.7 149.5 -59.5 102.7 2.2 58.6 161.6 53 39 H E E < -J 48 0C 80 -5,-0.8 -5,-2.1 -2,-0.7 2,-0.4 -0.996 53.2-108.7-143.6 146.5 -1.3 59.7 162.5 54 40 H L E +J 47 0C 54 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.615 37.9 171.2 -73.1 123.3 -3.7 62.6 161.8 55 41 H L E - 0 0 31 -9,-2.9 2,-0.2 -2,-0.4 170,-0.2 0.853 52.5 -27.5-100.4 -50.8 -4.0 64.7 165.0 56 42 H b E -J 46 0C 4 -10,-1.0 -10,-2.6 168,-0.1 -1,-0.3 -0.848 56.0-102.2-152.5-174.2 -5.9 67.8 164.2 57 43 H G E +J 45 0C 7 168,-3.0 12,-0.4 -2,-0.2 2,-0.3 -0.613 35.7 175.3-111.0 175.0 -6.8 70.4 161.6 58 44 H A E -J 44 0C 0 -14,-2.0 -14,-3.0 -2,-0.2 2,-0.4 -0.970 23.0-115.0-169.6 172.3 -5.3 73.9 161.2 59 45 H S E -JL 43 67C 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.8 -0.936 17.6-127.9-126.8 147.6 -5.3 77.0 159.0 60 46 H L E + L 0 66C 0 -18,-2.0 86,-2.3 -2,-0.4 6,-0.2 -0.830 30.2 169.2 -92.7 108.2 -2.6 78.7 156.9 61 47 H I - 0 0 22 4,-1.6 2,-0.3 -2,-0.8 -1,-0.2 0.589 69.5 -6.9 -94.5 -13.7 -2.6 82.3 158.0 62 48 H S S S- 0 0 31 3,-1.2 3,-0.3 -20,-0.1 -1,-0.2 -0.947 86.4 -81.5-164.5 177.1 0.6 83.1 156.1 63 49 H D S S+ 0 0 60 -2,-0.3 74,-2.4 1,-0.2 3,-0.1 0.547 127.8 23.2 -69.6 -5.6 3.4 81.5 154.1 64 50 H R S S+ 0 0 104 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.364 110.4 75.1-141.0 2.2 5.2 80.4 157.3 65 51 H W E - M 0 132C 28 -3,-0.3 -4,-1.6 67,-0.2 -3,-1.2 -0.977 49.8-170.0-128.5 136.1 2.6 80.3 160.1 66 52 H V E -LM 60 131C 0 65,-2.6 65,-2.8 -2,-0.4 2,-0.4 -0.954 12.8-146.3-121.9 138.2 -0.1 77.8 160.9 67 53 H L E +LM 59 130C 0 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.3 -0.896 29.5 152.8-107.9 132.1 -2.9 78.3 163.5 68 54 H T E - M 0 129C 0 61,-2.2 61,-1.9 -2,-0.4 2,-0.3 -0.863 46.1 -77.0-145.9 178.2 -4.3 75.4 165.5 69 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.637 34.0-131.5 -83.9 141.1 -6.0 74.5 168.8 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-2.3 0.911 103.1 61.4 -57.4 -45.6 -3.8 74.3 171.9 71 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 154,-0.0 0.563 89.9 72.4 -61.5 -9.0 -5.1 70.9 173.1 72 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.750 116.0 19.1 -76.1 -25.3 -3.8 69.4 169.9 73 59 H L T <4 S+ 0 0 0 -3,-2.3 9,-2.7 -4,-0.4 2,-0.5 0.741 131.1 37.3-110.9 -42.0 -0.3 69.7 171.2 74 60 H L E < +P 81 0D 40 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.964 53.0 135.2-125.8 126.3 -0.7 70.1 174.9 75 60AH Y E > > -P 80 0D 61 5,-3.0 5,-2.0 -2,-0.5 3,-1.8 -0.542 28.0-165.9-165.5 85.4 -3.1 68.4 177.2 76 60BH P G > 5S+ 0 0 51 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.798 83.0 63.2 -45.2 -47.8 -1.6 67.0 180.5 77 60CH P G 3 5S+ 0 0 76 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.732 110.1 43.1 -57.5 -18.5 -4.4 64.8 181.7 78 60DH W G < 5S- 0 0 179 -3,-1.8 3,-0.1 2,-0.1 -3,-0.0 -0.047 116.2-114.9-112.5 27.4 -3.8 62.7 178.5 79 60EH D T < 5 + 0 0 99 -3,-2.6 2,-0.7 1,-0.2 -5,-0.0 0.755 65.0 157.6 41.0 32.3 0.0 62.9 178.8 80 60FH K E < +P 75 0D 38 -5,-2.0 -5,-3.0 2,-0.0 -1,-0.2 -0.757 6.3 140.5 -92.1 112.3 -0.2 64.9 175.6 81 60GH N E +P 74 0D 103 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.649 20.9 174.1-153.8 86.4 2.8 67.1 175.1 82 60HH F - 0 0 33 -9,-2.7 2,-0.3 -2,-0.2 -9,-0.0 -0.672 9.0-164.3 -97.3 153.2 4.0 67.3 171.5 83 60IH T >> - 0 0 47 -2,-0.3 3,-2.8 28,-0.0 4,-0.6 -0.822 42.1 -86.0-129.3 170.1 6.8 69.6 170.2 84 61 H E T 34 S+ 0 0 37 1,-0.3 25,-0.8 -2,-0.3 3,-0.4 0.730 125.3 54.9 -48.4 -27.1 7.9 70.8 166.7 85 62 H N T 34 S+ 0 0 116 1,-0.2 -1,-0.3 23,-0.1 3,-0.0 0.341 104.0 53.1 -93.0 8.1 10.1 67.7 166.3 86 63 H D T <4 S+ 0 0 69 -3,-2.8 -37,-2.0 -37,-0.1 -36,-0.3 0.406 109.1 51.8-116.2 -3.3 7.2 65.2 166.9 87 64 H L E < -K 48 0C 0 -4,-0.6 22,-0.5 -3,-0.4 2,-0.3 -0.715 53.2-173.9-129.2 176.0 4.9 66.7 164.3 88 65 H L E -K 47 0C 18 -41,-2.0 -41,-2.9 -2,-0.2 2,-0.3 -0.946 18.4-131.8-164.7 154.3 4.7 67.7 160.6 89 66 H V E -KN 46 107C 0 18,-2.5 18,-1.5 -2,-0.3 2,-0.4 -0.825 5.6-157.1-118.1 158.2 2.0 69.4 158.5 90 67 H R E -KN 45 106C 53 -45,-1.7 -45,-2.0 -2,-0.3 2,-0.3 -0.987 15.8-167.7-135.2 118.8 0.5 68.8 155.1 91 68 H I E +KN 44 105C 0 14,-3.0 14,-2.3 -2,-0.4 -47,-0.2 -0.781 59.5 29.5-109.8 154.5 -1.1 71.6 153.1 92 69 H G S S+ 0 0 8 -49,-1.0 2,-0.4 -2,-0.3 -1,-0.2 0.888 76.9 150.3 70.9 42.2 -3.3 71.6 150.0 93 70 H K + 0 0 17 -50,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.872 25.7 170.8-111.7 140.7 -5.1 68.3 150.5 94 71 H H S S+ 0 0 53 -2,-0.4 86,-2.0 1,-0.3 2,-0.3 0.731 73.5 31.9-108.5 -44.2 -8.6 67.3 149.4 95 72 H S B Q 179 0E 26 3,-0.3 -1,-0.3 84,-0.2 5,-0.3 -0.854 360.0 360.0-117.1 152.4 -8.6 63.6 150.1 96 73 H R 0 0 145 82,-2.4 -1,-0.1 -2,-0.3 82,-0.1 0.918 360.0 360.0 -86.8 360.0 -6.8 61.6 152.8 97 ! 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 98 75 H R 0 0 83 0, 0.0 2,-1.0 0, 0.0 -3,-0.3 0.000 360.0 360.0 360.0 116.6 -5.0 59.7 147.9 99 76 H Y - 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