==== 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 1Z8J . 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 . 284 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 60.2 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 . 75 26.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.5 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 2 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 . 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 1NA T 0 0 151 0, 0.0 3,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 162.9 17.6 49.8 -6.6 2 1MA F + 0 0 69 1,-0.2 2,-0.4 2,-0.0 156,-0.0 0.621 360.0 54.9-109.3 -27.7 18.3 46.2 -5.5 3 1LA F S S- 0 0 4 6,-0.1 -1,-0.2 280,-0.0 9,-0.1 -0.923 87.0-113.3-115.1 137.9 14.8 45.1 -4.6 4 1KA N >> - 0 0 87 -2,-0.4 4,-2.4 1,-0.2 3,-1.4 -0.548 25.8-136.3 -62.2 124.3 11.7 45.2 -6.6 5 1JA P H 3> S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.851 100.3 64.4 -44.1 -34.9 9.4 47.8 -4.9 6 1IA R H 34 S+ 0 0 215 2,-0.2 4,-0.1 1,-0.2 -2,-0.1 0.806 113.3 26.4 -72.2 -25.8 6.5 45.4 -5.3 7 1HA T H <4 S+ 0 0 25 -3,-1.4 -1,-0.2 2,-0.1 277,-0.1 0.845 125.9 47.2 -97.5 -39.4 7.8 42.6 -3.1 8 1GA F H < S- 0 0 4 -4,-2.4 69,-0.6 1,-0.2 70,-0.3 0.738 96.6-150.3 -70.8 -29.3 9.9 44.7 -0.8 9 1FA G < - 0 0 9 -4,-2.3 3,-0.5 -5,-0.3 -1,-0.2 -0.394 46.9 -20.1 85.0-169.9 7.3 47.3 -0.2 10 1EA S S S+ 0 0 60 1,-0.2 66,-1.6 -2,-0.1 67,-0.2 -0.500 104.9 62.1 -75.7 139.6 8.1 51.1 0.5 11 1DA G + 0 0 7 64,-0.2 -1,-0.2 -2,-0.2 64,-0.1 0.215 55.4 95.6 147.0 -36.2 11.6 51.9 1.8 12 1CA E S S+ 0 0 63 -3,-0.5 3,-0.3 1,-0.2 144,-0.1 0.834 104.3 36.8 -63.9 -29.4 14.7 51.3 -0.2 13 1BA A S S+ 0 0 86 1,-0.2 2,-0.9 142,-0.0 -1,-0.2 0.838 120.4 48.4 -86.7 -37.1 14.6 54.9 -1.5 14 1AA D S S+ 0 0 56 140,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.555 90.0 124.2 -97.6 66.6 13.4 56.3 1.9 15 1 A a + 0 0 10 -2,-0.9 139,-0.2 -3,-0.3 140,-0.1 -0.963 58.6 12.2-132.9 147.3 15.9 54.6 4.3 16 2 A G S S+ 0 0 0 137,-2.8 232,-1.6 -2,-0.3 2,-0.6 0.516 88.2 110.1 76.1 5.0 18.4 55.6 6.9 17 3 A L - 0 0 27 136,-0.3 -1,-0.1 230,-0.2 230,-0.1 -0.955 61.3-142.9-116.5 114.1 17.3 59.2 7.3 18 4 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.7 -0.604 6.6-142.5 -81.8 126.7 15.6 59.9 10.6 19 5 A P T 3 5S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 0.843 103.0 45.3 -51.5 -38.1 12.7 62.3 10.7 20 6 A L T 3 5S+ 0 0 24 129,-0.5 32,-0.1 31,-0.4 129,-0.0 0.464 129.5 16.7 -89.7 -0.8 13.8 63.6 14.1 21 7 A F T X>>S+ 0 0 14 -3,-1.7 5,-2.6 30,-0.1 3,-1.6 0.409 128.7 27.5-131.7 -88.1 17.4 64.0 13.2 22 8 A E G >45S+ 0 0 19 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.875 123.3 51.9 -51.1 -41.6 18.8 64.0 9.7 23 9 A K G 34> S+ 0 0 32 2,-0.1 3,-1.8 1,-0.0 4,-0.6 0.492 86.0 99.9-135.9 -0.7 26.8 60.5 20.0 31 14CA E H >> S+ 0 0 18 -3,-0.4 4,-1.8 1,-0.3 3,-0.7 0.782 75.4 70.9 -59.7 -23.2 26.9 60.1 16.2 32 14DA R H 3> S+ 0 0 139 -4,-0.4 4,-3.3 1,-0.3 -1,-0.3 0.820 88.4 63.9 -62.7 -27.1 30.0 62.3 16.1 33 14EA E H <> S+ 0 0 43 -3,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.908 103.3 47.4 -62.0 -39.5 31.9 59.4 17.7 34 14FA L H X S+ 0 0 83 -4,-1.8 4,-1.4 1,-0.2 3,-1.4 0.937 108.7 54.1 -60.5 -46.4 32.2 60.2 12.3 36 14HA E H 3< S+ 0 0 126 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 101.7 60.0 -57.9 -32.6 35.4 60.7 14.3 37 14IA S H 3< S+ 0 0 17 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.732 102.2 52.4 -70.3 -21.1 36.2 57.0 13.8 38 14JA Y H << S+ 0 0 21 -3,-1.4 2,-1.6 -4,-0.8 -1,-0.2 0.904 89.1 83.9 -77.2 -43.8 36.3 57.4 10.0 39 14KA I < 0 0 119 -4,-1.4 -1,-0.1 1,-0.1 -4,-0.0 -0.437 360.0 360.0 -67.1 86.9 38.8 60.3 10.2 40 14LA D 0 0 204 -2,-1.6 -1,-0.1 0, 0.0 129,-0.0 0.488 360.0 360.0 38.6 360.0 42.0 58.3 10.4 41 !* 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 42 16 B I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.6 23.4 46.4 26.1 43 17 B V B +A 228 0A 12 185,-2.9 185,-1.5 1,-0.2 138,-0.1 -0.824 360.0 1.6-101.8 134.6 26.2 46.6 28.7 44 18 B E S S+ 0 0 127 136,-0.6 -1,-0.2 -2,-0.4 182,-0.2 0.878 101.0 133.5 60.6 39.7 27.9 49.9 29.5 45 19 B G - 0 0 22 -3,-0.5 2,-0.3 135,-0.1 147,-0.2 -0.384 50.5-118.1-107.2-172.2 25.7 51.8 27.1 46 20 B S E -B 191 0B 64 145,-3.0 145,-2.2 -2,-0.1 -1,-0.0 -0.870 35.1 -84.5-128.4 161.4 23.7 55.0 27.3 47 21 B D E -B 190 0B 86 -2,-0.3 2,-0.3 143,-0.2 143,-0.2 -0.325 45.7-123.2 -62.6 144.4 20.0 55.9 27.0 48 22 B A - 0 0 21 141,-2.3 141,-0.1 1,-0.1 2,-0.1 -0.693 22.4-119.8 -91.0 144.4 18.7 56.4 23.4 49 23 B E > - 0 0 63 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.439 43.6 -81.2 -78.3 156.5 17.1 59.7 22.4 50 24 B I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 56,-0.1 -0.338 117.0 5.5 -58.0 130.0 13.5 59.7 21.2 51 25 B G T 3 S+ 0 0 4 99,-0.1 -31,-0.4 2,-0.1 -1,-0.3 0.624 91.8 126.3 72.0 13.6 13.4 58.7 17.5 52 26 B M S < S+ 0 0 2 -3,-2.0 -2,-0.1 1,-0.3 -34,-0.1 0.755 83.4 22.8 -73.9 -27.1 17.1 57.9 17.5 53 27 B S > + 0 0 13 -4,-0.3 3,-2.3 97,-0.1 -1,-0.3 -0.524 69.7 166.8-140.6 65.8 16.7 54.4 16.1 54 28 B P T 3 S+ 0 0 4 0, 0.0 98,-1.3 0, 0.0 51,-0.2 0.536 75.7 61.4 -62.0 -8.3 13.2 54.4 14.3 55 29 B W T 3 S+ 0 0 2 96,-0.2 18,-2.4 98,-0.1 99,-0.2 0.334 76.8 124.9 -96.6 3.1 14.0 51.1 12.6 56 30 B Q E < -J 72 0C 16 -3,-2.3 49,-0.6 16,-0.2 2,-0.4 -0.419 40.8-171.7 -67.1 133.0 14.3 49.4 16.0 57 31 B V E -JK 71 104C 1 14,-2.3 14,-1.3 -2,-0.1 2,-0.5 -0.966 14.5-149.5-128.1 145.0 12.0 46.4 16.3 58 32 B M E -JK 70 103C 22 45,-2.3 45,-2.1 -2,-0.4 2,-0.6 -0.962 11.5-147.0-114.4 128.5 11.2 44.3 19.3 59 33 B L E -JK 69 102C 0 10,-3.0 9,-3.1 -2,-0.5 10,-1.3 -0.847 20.2-168.9 -97.3 124.6 10.3 40.6 18.8 60 34 B F E -JK 67 101C 25 41,-3.1 41,-1.7 -2,-0.6 2,-0.3 -0.881 25.7-124.5-117.6 146.1 7.8 39.3 21.3 61 35 B R E > -JK 66 100C 61 5,-3.5 5,-1.3 -2,-0.4 39,-0.2 -0.673 24.0-147.1 -79.0 137.2 6.5 35.8 22.2 62 36 B K T 5S+ 0 0 75 37,-3.2 3,-0.3 -2,-0.3 -1,-0.2 0.976 76.9 52.6 -72.5 -58.0 2.7 35.9 21.8 63 36AB S T 5S+ 0 0 100 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.925 125.4 14.9-131.4 111.3 1.7 33.4 24.5 64 37 B P T 5S- 0 0 96 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.548 105.8-118.0 -82.3 152.3 2.9 34.1 27.1 65 38 B Q T 5 + 0 0 128 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.309 50.9 157.9 -54.5 121.2 3.9 37.7 26.1 66 39 B E E < -J 61 0C 95 -5,-1.3 -5,-3.5 -2,-0.1 2,-0.5 -0.961 46.7-118.5-153.6 130.1 7.7 37.8 26.4 67 40 B L E +J 60 0C 52 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.558 39.6 168.9 -69.3 118.5 10.4 40.0 24.9 68 41 B L E - 0 0 11 -9,-3.1 2,-0.3 -2,-0.5 -8,-0.2 0.819 48.8 -26.8-102.4 -39.1 12.5 37.6 22.9 69 42 B b E -J 59 0C 6 -10,-1.3 -10,-3.0 164,-0.1 -1,-0.3 -0.969 56.9 -97.0-166.2 174.4 14.9 39.5 20.7 70 43 B G E +J 58 0C 8 164,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.447 38.2 172.0 -96.3 174.3 15.7 42.7 18.8 71 44 B A E -J 57 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.3 -0.943 22.0-122.7-169.4 175.1 15.1 43.1 15.1 72 45 B S E -JL 56 80C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.994 14.1-126.5-139.7 146.4 15.2 45.9 12.5 73 46 B L E + L 0 79C 0 -18,-2.4 81,-2.4 -2,-0.3 6,-0.2 -0.787 27.9 169.9 -90.4 120.8 12.8 47.4 10.0 74 47 B I - 0 0 3 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.516 69.2 -5.8-109.1 -7.7 14.2 47.4 6.4 75 48 B S S S- 0 0 0 3,-1.1 -64,-0.2 -64,-0.1 -1,-0.2 -0.907 90.4 -77.8-163.8-176.1 11.0 48.3 4.6 76 49 B D S S+ 0 0 18 -66,-1.6 69,-3.0 -2,-0.3 -67,-0.1 0.617 129.6 19.7 -72.9 -8.9 7.3 48.9 5.3 77 50 B R S S+ 0 0 56 -69,-0.6 64,-3.1 67,-0.2 2,-0.4 0.449 108.1 79.4-137.7 -3.4 6.8 45.1 5.4 78 51 B W E - M 0 140C 0 -70,-0.3 -4,-2.4 62,-0.2 -3,-1.1 -0.940 49.1-171.8-117.6 135.8 10.1 43.3 6.0 79 52 B V E -LM 73 139C 0 60,-2.6 60,-2.4 -2,-0.4 2,-0.4 -0.966 10.9-149.2-125.3 135.6 12.0 42.9 9.3 80 53 B L E +LM 72 138C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.3 -0.817 29.1 148.1-104.1 142.9 15.5 41.4 9.7 81 54 B T E - M 0 137C 0 56,-2.3 56,-2.7 -2,-0.4 2,-0.3 -0.917 49.3 -73.8-157.9-179.2 16.6 39.5 12.7 82 55 B A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.5 -0.671 33.3-133.1 -87.1 143.4 18.9 36.7 13.9 83 56 B A G >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.3 3,-2.0 0.890 104.3 62.5 -62.1 -38.4 17.9 33.1 13.0 84 57 B H G 34 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.2 150,-0.0 0.633 92.7 65.8 -66.6 -7.5 18.6 31.9 16.5 85 58 B b G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.774 118.2 23.6 -78.7 -26.0 15.8 34.2 17.7 86 59 B L T <4 S+ 0 0 1 -3,-2.0 9,-1.7 -4,-0.5 2,-0.4 0.676 131.5 35.2-110.1 -28.5 13.4 32.1 15.8 87 60 B L E < +P 94 0D 36 -4,-3.2 -1,-0.3 7,-0.2 7,-0.2 -0.904 61.1 122.5-137.6 108.2 15.1 28.7 15.5 88 60AB Y E > > -P 93 0D 25 5,-2.8 5,-1.5 -2,-0.4 3,-1.4 -0.525 33.2-168.7-160.5 80.9 17.3 27.2 18.2 89 60BB P G > 5S+ 0 0 46 0, 0.0 3,-2.6 0, 0.0 5,-0.1 0.796 82.7 63.3 -44.3 -41.9 16.0 23.8 19.3 90 60CB P G 3 5S+ 0 0 72 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.902 107.9 43.2 -56.0 -37.7 18.2 23.5 22.3 91 60DB W G < 5S- 0 0 95 -3,-1.4 3,-0.1 2,-0.1 0, 0.0 0.191 122.7-111.4 -91.2 17.6 16.5 26.5 23.8 92 60EB D T < 5 + 0 0 140 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.889 69.6 146.7 55.1 43.6 13.2 25.1 22.6 93 60FB K E < +P 88 0D 33 -5,-1.5 -5,-2.8 1,-0.1 -1,-0.2 -0.947 5.7 132.0-114.4 115.5 12.8 27.8 20.0 94 60GB N E -P 87 0D 122 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.416 39.1-169.7-159.9 65.7 11.0 26.8 16.8 95 60HB F - 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