==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 16-JUN-93 1THR . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.QIU,M.YIN,K.P.PADMANABHAN,J.L.KRSTENANSKY,A.TULINSKY . 291 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.8 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 . 78 26.8 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 . 21 7.2 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 . 28 9.6 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 0 0 1 2 0 0 0 1 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 . 5 4 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 1BL A 0 0 129 0, 0.0 145,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.7 13.8 19.5 19.9 2 1AL D > + 0 0 74 143,-0.1 3,-1.5 3,-0.0 144,-0.1 0.162 360.0 146.6-123.0 7.5 10.3 18.5 19.0 3 1 L a T 3 + 0 0 29 1,-0.3 142,-0.3 142,-0.1 143,-0.1 -0.048 61.2 16.3 -53.5 146.0 11.1 14.8 19.9 4 2 L G T 3 S+ 0 0 0 140,-3.2 236,-1.1 235,-0.2 2,-0.6 0.393 92.0 116.3 66.8 3.4 8.4 12.6 21.3 5 3 L L < - 0 0 30 -3,-1.5 -1,-0.1 139,-0.3 234,-0.1 -0.949 60.6-141.7-107.2 107.6 5.5 15.0 20.2 6 4 L R > > - 0 0 0 -2,-0.6 3,-1.9 1,-0.1 5,-1.6 -0.587 7.6-140.2 -77.2 126.8 3.4 13.1 17.6 7 5 L P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.846 102.7 40.2 -53.3 -41.8 2.0 14.9 14.6 8 6 L L T 3 5S+ 0 0 31 132,-0.5 30,-0.1 29,-0.3 28,-0.0 0.290 131.5 16.4 -91.7 5.4 -1.4 13.0 14.8 9 7 L F T X >S+ 0 0 15 -3,-1.9 5,-3.1 28,-0.1 3,-1.5 0.453 127.6 32.2-135.6 -76.5 -1.9 12.9 18.6 10 8 L E G > 5S+ 0 0 26 1,-0.3 3,-2.0 3,-0.2 -2,-0.1 0.875 118.2 54.1 -52.6 -59.7 0.2 15.3 20.9 11 9 L K G 3 > S+ 0 0 47 2,-0.1 3,-1.0 1,-0.1 4,-0.8 0.271 86.4 100.6-128.0 4.0 -4.3 2.9 25.3 19 14CL E H >> S+ 0 0 7 -3,-0.4 4,-1.5 1,-0.2 3,-0.7 0.815 77.7 64.8 -60.5 -30.2 -2.1 5.7 26.4 20 14DL R H 3> S+ 0 0 41 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.820 92.5 62.3 -59.1 -30.9 -4.3 6.2 29.5 21 14EL E H <> S+ 0 0 56 -3,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.910 105.0 48.4 -59.5 -39.1 -3.2 2.8 30.7 22 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.7 4,-0.8 0.962 111.9 44.9 -63.3 -55.1 0.4 4.1 30.9 23 14GL L H 3< S+ 0 0 49 -4,-1.5 3,-0.5 1,-0.3 -2,-0.2 0.858 110.1 56.6 -65.6 -34.1 -0.3 7.4 32.8 24 14HL E H 3< S+ 0 0 163 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.757 97.5 61.8 -68.9 -22.6 -2.5 5.5 35.1 25 14IL S H << 0 0 30 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.711 360.0 360.0 -76.4 -20.3 0.4 3.2 36.0 26 14JL Y < 0 0 58 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.318 360.0 360.0-101.3 360.0 2.1 6.3 37.2 27 !* 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 28 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.9 4.3 -9.0 19.6 29 17 H V B +A 220 0A 13 191,-2.4 191,-1.4 1,-0.2 143,-0.1 -0.874 360.0 3.5-106.3 127.9 2.2 -11.7 21.4 30 18 H E S S+ 0 0 128 141,-0.4 -1,-0.2 -2,-0.4 188,-0.2 0.828 102.3 128.4 64.9 32.6 -1.2 -10.6 22.8 31 19 H G - 0 0 24 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.224 51.8-119.0-100.9-171.5 -0.8 -7.1 21.4 32 20 H S E -B 183 0B 74 151,-2.8 151,-2.9 -2,-0.1 2,-0.3 -0.861 33.8 -86.0-129.3 168.2 -3.2 -4.9 19.2 33 21 H D E -B 182 0B 104 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.601 51.4-119.4 -70.9 128.2 -3.0 -3.3 15.8 34 22 H A - 0 0 7 147,-3.4 2,-0.1 -2,-0.3 -1,-0.1 -0.326 23.8-115.6 -66.4 161.8 -1.3 0.1 16.2 35 23 H E > - 0 0 43 1,-0.1 3,-1.3 -2,-0.0 4,-0.3 -0.453 47.8 -81.6 -83.5 155.0 -3.3 3.2 15.2 36 24 H I T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.1 57,-0.1 -0.535 116.9 7.3 -69.2 135.1 -1.9 5.2 12.2 37 25 H G T 3 S+ 0 0 10 -2,-0.3 -29,-0.3 55,-0.1 -1,-0.2 0.595 90.7 125.4 67.1 20.3 0.9 7.5 13.3 38 26 H M S < S+ 0 0 7 -3,-1.3 -2,-0.1 1,-0.3 -22,-0.1 0.841 83.6 24.2 -72.0 -35.0 0.9 6.0 16.9 39 27 H S S > S+ 0 0 15 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.647 70.9 166.6-134.9 70.0 4.7 5.1 16.8 40 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.0 0, 0.0 99,-0.1 0.490 74.8 58.9 -69.0 -9.5 6.2 7.5 14.3 41 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.447 78.3 119.9 -95.0 -8.3 9.8 6.7 15.3 42 30 H Q E < -J 58 0C 4 -3,-2.1 49,-0.9 16,-0.2 2,-0.3 -0.385 43.2-172.7 -62.1 131.2 9.3 3.0 14.5 43 31 H V E -JK 57 90C 0 14,-1.9 14,-1.1 -2,-0.2 2,-0.4 -0.939 18.1-138.2-123.7 147.3 11.7 1.7 11.9 44 32 H M E -JK 56 89C 0 45,-2.3 45,-2.0 -2,-0.3 2,-0.6 -0.882 13.9-141.7-104.2 137.7 11.9 -1.7 10.0 45 33 H L E -JK 55 88C 0 10,-2.9 9,-2.9 -2,-0.4 10,-0.6 -0.922 29.1-162.4-102.3 120.7 15.4 -3.2 9.5 46 34 H F E -JK 53 87C 0 41,-3.0 41,-3.0 -2,-0.6 2,-0.4 -0.946 19.4-141.2-124.8 123.6 15.3 -4.7 6.1 47 35 H R E > -JK 52 86C 73 5,-3.2 5,-1.0 -2,-0.5 39,-0.2 -0.621 11.0-148.8 -77.7 125.4 17.4 -7.3 4.4 48 36 H K T 5S+ 0 0 92 37,-1.2 -1,-0.1 -2,-0.4 38,-0.1 0.984 77.9 42.6 -57.6 -65.8 18.0 -6.6 0.7 49 36AH S T 5S+ 0 0 103 36,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.981 122.7 21.1-145.5 127.8 18.2 -10.2 -0.4 50 37 H P T 5S- 0 0 74 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.689 105.2-125.7 -62.2 161.4 16.5 -12.3 0.4 51 38 H Q T 5 + 0 0 59 -2,-0.2 2,-0.3 233,-0.1 -3,-0.2 -0.667 52.9 144.7 -77.6 131.3 14.1 -9.5 1.3 52 39 H E E < -J 47 0C 68 -5,-1.0 -5,-3.2 -2,-0.4 2,-0.5 -0.927 56.6-103.6-169.4 147.6 13.3 -10.1 5.0 53 40 H L E +J 46 0C 37 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.743 33.0 179.2 -75.0 121.0 12.5 -8.2 8.2 54 41 H L E - 0 0 29 -9,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.891 56.7 -53.5 -83.9 -58.5 15.7 -8.4 10.3 55 42 H b E -J 45 0C 6 -10,-0.6 -10,-2.9 170,-0.1 -1,-0.3 -0.918 54.9 -81.6-162.4-174.4 14.4 -6.4 13.4 56 43 H G E +J 44 0C 2 170,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.407 41.5 171.4 -92.6 169.4 12.8 -3.1 14.7 57 44 H A E -J 43 0C 0 -14,-1.1 -14,-1.9 10,-0.1 2,-0.3 -0.891 21.9-122.2-169.3 177.5 14.8 0.1 15.3 58 45 H S E -JL 42 66C 0 8,-1.8 8,-2.1 -2,-0.3 2,-0.7 -0.995 12.3-121.0-143.3 152.1 13.9 3.6 16.2 59 46 H L E + L 0 65C 0 -18,-2.2 86,-2.4 -2,-0.3 6,-0.2 -0.831 28.6 167.8 -96.2 119.3 14.5 7.2 14.8 60 47 H I S S- 0 0 23 4,-2.2 2,-0.3 -2,-0.7 5,-0.2 0.509 72.3 -6.2-105.0 -13.5 16.2 9.5 17.2 61 48 H S S S- 0 0 32 3,-1.3 3,-0.5 -20,-0.1 -1,-0.3 -0.939 85.4 -84.0-166.9 178.1 16.9 12.2 14.6 62 49 H D S S+ 0 0 61 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.554 130.1 27.5 -72.0 -4.3 16.5 12.8 10.9 63 50 H R S S+ 0 0 48 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.378 110.1 74.3-133.8 -3.3 19.9 11.0 10.3 64 51 H W E - M 0 131C 1 -3,-0.5 -4,-2.2 67,-0.2 -3,-1.3 -0.968 47.2-174.4-129.6 134.2 20.2 8.5 13.2 65 52 H V E -LM 59 130C 0 65,-3.1 65,-4.1 -2,-0.4 2,-0.4 -0.972 11.4-152.5-126.2 142.4 18.6 5.2 14.0 66 53 H L E +LM 58 129C 0 -8,-2.1 -8,-1.8 -2,-0.4 2,-0.2 -0.943 25.8 149.6-118.8 130.3 19.1 3.1 17.2 67 54 H T E - M 0 128C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.4 -0.826 49.9 -73.0-148.3-177.5 18.8 -0.6 17.4 68 55 H A > - 0 0 0 -12,-0.4 3,-1.9 59,-0.3 4,-0.5 -0.756 34.4-134.2 -84.5 131.6 20.1 -3.7 19.4 69 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.3 3,-1.7 0.853 103.2 69.3 -56.0 -35.6 23.7 -4.8 18.5 70 57 H H G 34 S+ 0 0 28 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.603 88.5 66.1 -59.8 -8.4 22.4 -8.5 18.2 71 58 H b G <4 S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.1 10,-0.2 0.828 115.2 25.7 -80.9 -27.3 20.5 -7.4 15.0 72 59 H L T <4 S+ 0 0 0 -3,-1.7 9,-2.7 -4,-0.5 2,-0.5 0.887 127.2 35.1 -99.2 -45.3 23.8 -6.8 13.2 73 60 H L E < +P 80 0D 36 -4,-2.1 -1,-0.3 7,-0.2 7,-0.2 -0.975 54.7 141.6-126.3 112.7 26.5 -9.0 14.8 74 60AH Y E > > -P 79 0D 47 5,-2.5 3,-2.2 -2,-0.5 5,-1.4 -0.571 18.5-178.4-152.1 72.5 25.8 -12.4 16.2 75 60BH P G > 5S+ 0 0 43 0, 0.0 3,-3.6 0, 0.0 -1,-0.1 0.766 75.7 69.2 -43.1 -43.7 28.7 -14.8 15.6 76 60CH P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.794 115.0 33.9 -51.4 -23.4 27.4 -18.0 17.2 77 60DH W G < 5S- 0 0 180 -3,-2.2 3,-0.1 2,-0.1 -3,-0.0 0.044 118.2-110.7-117.1 21.5 25.0 -17.8 14.2 78 60EH D T < 5 + 0 0 151 -3,-3.6 2,-0.5 1,-0.2 -5,-0.0 0.865 64.1 156.7 47.1 43.2 27.5 -16.3 11.7 79 60FH K E < +P 74 0D 49 -5,-1.4 -5,-2.5 1,-0.1 -1,-0.2 -0.888 4.3 143.5-101.8 127.6 25.5 -13.0 11.7 80 60GH N E -P 73 0D 108 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.229 26.1-169.6-163.1 69.8 27.6 -10.0 10.7 81 60HH F - 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