==== 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/HYDROLASE INHIBITOR 30-MAR-05 1Z8I . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.M.BOBOFCHAK,A.O.PINEDA,F.S.MATHEWS,E.DI CERA . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 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 . 75 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 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 . 2 5 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 1MA A 0 0 83 0, 0.0 2,-0.4 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 -48.1 18.4 46.5 -5.6 2 1LA F - 0 0 12 6,-0.0 9,-0.0 286,-0.0 283,-0.0 -0.829 360.0-119.3-105.1 135.9 14.8 45.5 -4.6 3 1KA N >> - 0 0 82 -2,-0.4 4,-3.2 1,-0.2 3,-1.9 -0.554 24.0-139.1 -67.4 120.7 11.7 45.4 -6.7 4 1JA P H 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.733 99.7 66.0 -52.0 -29.2 9.4 47.8 -4.9 5 1IA R H 34 S+ 0 0 212 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.801 114.4 25.4 -78.8 -14.4 6.7 45.4 -5.5 6 1HA T H <4 S+ 0 0 24 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.729 126.2 45.5-108.1 -33.4 8.2 42.9 -3.2 7 1GA F H < S- 0 0 4 -4,-3.2 69,-0.6 1,-0.3 2,-0.4 0.888 93.6-150.8 -79.4 -39.5 10.2 44.9 -1.0 8 1FA G < - 0 0 10 -4,-1.2 2,-0.5 -5,-0.4 3,-0.3 -0.749 43.3 -25.0 102.5-151.4 7.7 47.5 -0.3 9 1EA S S S+ 0 0 52 -2,-0.4 66,-1.9 1,-0.2 67,-0.2 -0.805 101.0 64.0-110.1 149.1 8.5 50.8 0.4 10 1DA G > + 0 0 8 -2,-0.5 3,-1.2 64,-0.2 -1,-0.2 0.018 58.8 104.7 144.5 -34.9 11.6 52.1 1.9 11 1CA E T 3 S+ 0 0 74 -3,-0.3 3,-0.4 1,-0.3 149,-0.1 0.833 98.2 34.0 -44.3 -42.4 14.5 51.5 -0.4 12 1BA A T 3 S+ 0 0 85 1,-0.2 -1,-0.3 147,-0.0 2,-0.1 0.558 121.7 48.6 -93.1 -12.6 14.6 55.1 -1.5 13 1AA D S < S+ 0 0 54 -3,-1.2 2,-0.3 145,-0.1 -1,-0.2 -0.511 86.9 122.6-127.2 65.1 13.5 56.5 1.8 14 1 A a + 0 0 10 -3,-0.4 144,-0.2 -2,-0.1 59,-0.1 -0.798 59.1 17.6-120.2 164.2 15.8 54.7 4.2 15 2 A G S S+ 0 0 0 142,-2.0 238,-1.7 -2,-0.3 2,-0.6 0.471 89.3 110.5 57.1 10.2 18.4 55.7 6.8 16 3 A L - 0 0 27 141,-0.3 -1,-0.1 236,-0.2 236,-0.1 -0.942 60.0-145.3-116.9 113.5 17.2 59.3 7.2 17 4 A R > > - 0 0 0 -2,-0.6 5,-2.9 1,-0.1 3,-1.4 -0.597 7.8-142.9 -83.9 129.6 15.5 60.0 10.5 18 5 A P T 3 5S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.889 102.5 44.8 -52.6 -43.7 12.6 62.4 10.7 19 6 A L T 3 5S+ 0 0 29 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.448 129.8 17.7 -85.5 0.5 13.7 63.8 14.0 20 7 A F T X >S+ 0 0 14 -3,-1.4 5,-3.0 30,-0.1 3,-1.2 0.449 130.0 25.6-131.7 -84.6 17.4 64.1 13.1 21 8 A E G > 5S+ 0 0 19 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.893 122.2 55.2 -57.5 -39.7 18.7 64.1 9.6 22 9 A K G 3 > S+ 0 0 35 2,-0.1 3,-2.0 1,-0.1 4,-0.6 0.477 87.6 102.6-130.0 -3.1 26.8 60.6 20.0 30 14CA E H >> S+ 0 0 12 -3,-0.3 4,-1.7 1,-0.3 3,-0.9 0.797 75.0 65.8 -48.6 -36.5 26.7 60.4 16.2 31 14DA R H 3> S+ 0 0 146 -4,-0.4 4,-3.2 1,-0.3 -1,-0.3 0.817 89.1 67.6 -61.7 -28.2 29.9 62.5 16.0 32 14EA E H <> S+ 0 0 44 -3,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.895 103.1 45.0 -58.3 -38.9 31.8 59.6 17.7 33 14FA L H X S+ 0 0 76 -4,-1.7 3,-1.3 1,-0.2 4,-1.0 0.928 110.4 50.1 -58.6 -45.5 32.1 60.4 12.2 35 14HA E H 3< S+ 0 0 114 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 101.2 62.8 -65.2 -28.9 35.3 61.0 14.1 36 14IA S H 3< S+ 0 0 14 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.689 100.4 54.7 -69.1 -16.5 36.1 57.3 13.9 37 14JA Y H << S+ 0 0 28 -3,-1.3 2,-1.4 -4,-0.7 -1,-0.2 0.819 87.0 86.9 -82.6 -32.7 36.3 57.7 10.1 38 14KA I < 0 0 112 -4,-1.0 -1,-0.1 -3,-0.2 -4,-0.0 -0.565 360.0 360.0 -71.2 92.9 38.8 60.5 10.5 39 14LA D 0 0 205 -2,-1.4 -1,-0.0 135,-0.0 0, 0.0 0.141 360.0 360.0 31.2 360.0 42.0 58.4 10.5 40 !* 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 41 16 B I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.6 23.3 46.5 26.1 42 17 B V B +A 233 0A 11 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.813 360.0 1.9-100.9 136.5 26.1 46.7 28.7 43 18 B E S S+ 0 0 126 141,-0.5 -1,-0.2 -2,-0.4 2,-0.2 0.895 101.5 128.2 57.6 44.4 27.8 50.1 29.4 44 19 B G - 0 0 23 -3,-0.4 2,-0.3 140,-0.1 153,-0.2 -0.525 52.3-117.8-116.4-173.4 25.5 52.0 27.0 45 20 B S E -B 196 0B 66 151,-3.0 151,-2.6 -2,-0.2 2,-0.1 -0.801 34.5 -86.1-124.5 166.6 23.4 55.0 27.2 46 21 B D E -B 195 0B 87 -2,-0.3 2,-0.3 149,-0.2 149,-0.2 -0.444 45.4-123.9 -67.1 144.7 19.7 55.8 26.8 47 22 B A - 0 0 15 147,-2.2 147,-0.1 -2,-0.1 2,-0.1 -0.681 24.6-117.6 -89.5 145.3 18.7 56.5 23.2 48 23 B E > - 0 0 59 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.449 46.7 -76.8 -78.6 159.3 16.9 59.8 22.5 49 24 B I T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.306 118.4 6.9 -56.0 128.4 13.4 59.8 21.1 50 25 B G T 3 S+ 0 0 9 104,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.603 90.5 124.6 74.9 11.1 13.4 58.8 17.4 51 26 B M S < S+ 0 0 2 -3,-2.1 -2,-0.1 1,-0.3 -34,-0.1 0.751 84.0 23.2 -74.8 -25.3 17.1 58.0 17.4 52 27 B S > + 0 0 13 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.518 68.5 164.6-140.1 68.4 16.6 54.5 16.0 53 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.578 75.5 62.4 -64.7 -10.1 13.2 54.5 14.2 54 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 104,-0.2 0.422 77.2 124.2 -90.1 -0.8 14.0 51.2 12.5 55 30 B Q E < -J 71 0C 12 -3,-2.2 49,-0.8 16,-0.2 2,-0.4 -0.374 41.2-172.1 -64.3 129.6 14.3 49.5 15.9 56 31 B V E -JK 70 103C 0 14,-2.2 14,-1.3 47,-0.1 2,-0.5 -0.970 15.7-148.2-126.2 144.0 12.0 46.5 16.2 57 32 B M E -JK 69 102C 4 45,-2.5 45,-2.1 -2,-0.4 2,-0.6 -0.944 12.1-147.8-112.8 122.6 11.1 44.4 19.3 58 33 B L E -JK 68 101C 0 10,-2.4 9,-2.9 -2,-0.5 10,-1.3 -0.792 21.2-167.8 -91.9 121.0 10.4 40.7 18.7 59 34 B F E -JK 66 100C 14 41,-3.3 41,-2.1 -2,-0.6 2,-0.3 -0.850 24.7-127.7-115.1 148.2 7.8 39.3 21.1 60 35 B R E > -JK 65 99C 64 5,-3.2 5,-1.3 -2,-0.3 39,-0.2 -0.699 23.7-148.2 -82.6 137.1 6.6 35.8 22.1 61 36 B K T 5S+ 0 0 68 37,-3.1 3,-0.4 -2,-0.3 -1,-0.2 0.973 74.8 53.0 -74.7 -56.9 2.8 35.9 21.8 62 36AB S T 5S+ 0 0 100 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.926 125.3 15.9-131.4 109.1 1.7 33.4 24.5 63 37 B P T 5S- 0 0 96 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.539 105.8-119.1 -83.6 152.5 2.9 34.1 27.0 64 38 B Q T 5 + 0 0 126 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.322 50.5 157.0 -54.3 121.5 3.9 37.7 26.0 65 39 B E E < -J 60 0C 100 -5,-1.3 -5,-3.2 -2,-0.1 2,-0.3 -0.952 46.1-119.3-154.8 129.0 7.7 37.8 26.4 66 40 B L E +J 59 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.540 38.5 168.7 -68.6 125.5 10.4 40.0 24.8 67 41 B L E - 0 0 14 -9,-2.9 2,-0.3 1,-0.4 172,-0.2 0.785 48.9 -29.3-108.6 -40.9 12.7 37.7 22.9 68 42 B b E -J 58 0C 5 -10,-1.3 -10,-2.4 170,-0.1 -1,-0.4 -0.944 56.8 -95.3-163.7-179.1 15.0 39.6 20.7 69 43 B G E +J 57 0C 7 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.496 35.9 172.9-103.0 176.0 15.7 42.7 18.7 70 44 B A E -J 56 0C 0 -14,-1.3 -14,-2.2 -2,-0.2 2,-0.4 -0.939 22.2-121.1-168.7 175.6 15.2 43.2 15.0 71 45 B S E -JL 55 79C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.993 14.6-125.5-138.2 146.6 15.3 46.0 12.4 72 46 B L E + L 0 78C 0 -18,-2.2 86,-2.3 -2,-0.4 6,-0.2 -0.787 28.5 169.9 -89.6 116.4 12.8 47.5 9.9 73 47 B I - 0 0 2 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.551 69.1 -7.3-104.5 -9.5 14.3 47.4 6.4 74 48 B S S S- 0 0 0 3,-1.2 -64,-0.2 -64,-0.1 -1,-0.1 -0.901 90.2 -76.4-161.9-173.5 11.0 48.4 4.5 75 49 B D S S+ 0 0 15 -66,-1.9 74,-2.8 -2,-0.3 -67,-0.1 0.633 130.6 18.6 -72.3 -10.6 7.3 49.0 5.2 76 50 B R S S+ 0 0 62 -69,-0.6 69,-2.6 72,-0.2 2,-0.4 0.466 107.8 80.9-137.2 -5.1 6.9 45.2 5.3 77 51 B W E - M 0 144C 0 -70,-0.2 -4,-2.4 67,-0.2 -3,-1.2 -0.928 48.5-173.7-114.6 133.7 10.2 43.4 5.8 78 52 B V E -LM 72 143C 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.3 -0.968 11.4-149.1-124.6 135.2 12.0 43.0 9.2 79 53 B L E +LM 71 142C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.804 27.4 150.1-105.0 146.2 15.5 41.5 9.6 80 54 B T E - M 0 141C 0 61,-2.3 61,-2.5 -2,-0.3 2,-0.4 -0.931 49.0 -71.8-158.7 179.6 16.6 39.6 12.7 81 55 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.5 -0.690 34.7-136.3 -82.7 135.5 19.0 36.9 13.9 82 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-2.3 0.901 103.6 61.5 -58.1 -40.5 18.0 33.3 12.8 83 57 B H G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 177,-0.0 0.712 92.6 66.1 -63.9 -14.7 18.7 32.0 16.3 84 58 B b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.767 116.9 26.0 -72.7 -22.3 16.0 34.3 17.6 85 59 B L T <4 S+ 0 0 1 -3,-2.3 9,-1.9 -4,-0.5 2,-0.4 0.723 130.9 32.5-109.1 -33.3 13.5 32.2 15.7 86 60 B L E < +P 93 0D 30 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.918 60.6 127.8-136.4 107.2 15.2 28.8 15.4 87 60AB Y E > > -P 92 0D 26 5,-2.5 5,-1.6 -2,-0.4 3,-1.4 -0.621 31.4-169.2-155.0 82.6 17.5 27.4 18.1 88 60BB P G > 5S+ 0 0 46 0, 0.0 3,-2.6 0, 0.0 5,-0.1 0.843 82.1 64.2 -45.8 -44.3 16.2 23.8 19.0 89 60CB P G 3 5S+ 0 0 77 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.887 107.2 42.9 -53.2 -36.5 18.4 23.5 22.1 90 60DB W G < 5S- 0 0 116 -3,-1.4 3,-0.1 2,-0.1 0, 0.0 0.134 123.1-106.6 -95.3 23.2 16.5 26.4 23.7 91 60EB D T < 5S+ 0 0 145 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.886 72.7 147.3 54.1 43.9 13.2 25.0 22.5 92 60FB K E < +P 87 0D 36 -5,-1.6 -5,-2.5 1,-0.1 -1,-0.2 -0.945 7.1 126.9-114.9 114.8 13.0 27.7 19.9 93 60GB N E -P 86 0D 115 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.398 40.0-172.8-163.3 67.8 11.3 26.9 16.6 94 60HB F - 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