==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE/RECEPTOR 18-JAN-94 1NRN . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 295 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 56.9 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 25.4 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 . 1 0.3 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 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 5 1 3 2 1 1 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 1AL D > 0 0 97 0, 0.0 3,-1.0 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 30.4 108.5 11.8 29.7 2 1 L a T 3 + 0 0 34 1,-0.2 146,-0.2 146,-0.1 147,-0.1 -0.264 360.0 23.0 -66.3 146.9 107.7 14.9 27.7 3 2 L G T 3 S+ 0 0 0 144,-2.4 240,-0.9 1,-0.2 2,-0.7 0.410 92.3 113.4 74.9 -1.0 110.4 16.9 26.0 4 3 L L < - 0 0 31 -3,-1.0 -1,-0.2 143,-0.3 238,-0.1 -0.905 62.0-143.3-105.7 110.6 112.8 13.9 26.0 5 4 L R > > - 0 0 0 -2,-0.7 5,-2.3 1,-0.1 3,-1.2 -0.575 4.5-144.6 -77.4 124.9 113.3 12.8 22.4 6 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.770 100.9 43.3 -59.6 -27.3 113.6 9.0 21.9 7 6 L L T 3 5S+ 0 0 35 136,-0.3 34,-0.1 33,-0.3 136,-0.0 0.429 130.0 18.0-100.8 -1.6 116.2 9.5 19.1 8 7 L F T X >S+ 0 0 24 -3,-1.2 5,-2.8 32,-0.1 3,-0.6 0.536 129.4 27.7-132.3 -67.9 118.3 12.2 20.8 9 8 L E G > 5S+ 0 0 21 -4,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.956 117.4 56.9 -66.2 -46.0 118.0 12.7 24.6 10 9 L K G 3 - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 4,-0.4 -0.492 34.3 -99.8 -80.4 157.3 121.4 17.3 17.4 16 14AL K T 3 S+ 0 0 115 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.399 115.2 23.8 -60.2 -0.1 123.6 19.4 15.1 17 14BL T T > S+ 0 0 25 2,-0.1 3,-1.2 3,-0.0 4,-0.4 0.445 87.5 93.0-147.4 1.5 122.4 22.8 16.5 18 14CL E T <> S+ 0 0 3 -3,-0.9 4,-2.0 1,-0.3 -2,-0.1 0.635 87.4 67.1 -68.9 -8.0 120.9 22.3 20.0 19 14DL R H 3> S+ 0 0 166 -4,-0.4 4,-0.7 2,-0.2 -1,-0.3 0.719 95.6 48.6 -81.0 -30.1 124.6 23.2 20.8 20 14EL E H <4 S+ 0 0 64 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.451 112.9 54.8 -87.4 -3.5 124.1 26.8 19.4 21 14FL L H >> S+ 0 0 0 -4,-0.4 3,-1.4 2,-0.1 4,-0.6 0.873 105.4 45.1 -90.8 -55.9 121.0 26.7 21.7 22 14GL L H 3< S+ 0 0 83 -4,-2.0 3,-0.3 1,-0.3 4,-0.3 0.715 107.7 62.3 -63.5 -25.3 122.6 25.8 25.0 23 14HL E T 3X>S+ 0 0 82 -4,-0.7 4,-1.1 1,-0.2 5,-1.0 0.521 93.2 63.0 -81.5 -8.8 125.4 28.3 24.4 24 14IL S T <45S+ 0 0 25 -3,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.784 95.1 58.7 -85.8 -30.4 123.0 31.3 24.3 25 14JL Y T <5S+ 0 0 26 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.596 123.3 23.1 -73.8 -16.6 121.8 30.9 27.9 26 14KL I T 45S- 0 0 116 -4,-0.3 -2,-0.2 -3,-0.0 -1,-0.2 0.519 112.1-115.8-125.0 -21.7 125.4 31.2 29.2 27 14LL D T <5 - 0 0 130 -4,-1.1 -3,-0.2 -5,-0.1 2,-0.1 0.915 26.9-132.0 79.8 99.2 127.0 33.2 26.3 28 14ML G < 0 0 37 -5,-1.0 -5,-0.0 1,-0.2 -8,-0.0 -0.369 360.0 360.0 -82.0 154.5 129.8 31.5 24.3 29 15 L R 0 0 299 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.828 360.0 360.0 56.8 360.0 133.2 32.9 23.2 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 H I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.6 110.8 28.9 7.7 32 17 H V B 3 +A 223 0A 0 191,-4.5 191,-1.3 1,-0.2 142,-0.1 -0.765 360.0 0.4 -95.6 129.2 113.4 31.4 6.1 33 18 H E T 3 S+ 0 0 107 -2,-0.5 -1,-0.2 141,-0.3 2,-0.1 0.916 102.1 127.4 62.7 47.1 117.0 30.8 6.2 34 19 H G < - 0 0 28 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.243 51.8-115.1-110.7-162.0 116.7 27.5 7.9 35 20 H S E -B 186 0B 51 151,-1.9 151,-2.9 -2,-0.1 2,-0.3 -0.885 34.0 -86.4-139.8 161.7 117.8 24.1 7.5 36 21 H D E -B 185 0B 89 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.523 52.2-114.4 -69.9 131.3 116.3 20.8 6.8 37 22 H A - 0 0 8 147,-3.9 2,-0.2 -2,-0.3 -1,-0.1 -0.275 25.0-118.6 -66.3 157.5 115.3 19.1 10.1 38 23 H E > - 0 0 56 1,-0.1 3,-1.6 0, 0.0 4,-0.3 -0.564 47.2 -80.3 -88.3 159.8 117.1 15.9 11.2 39 24 H I T 3 S+ 0 0 71 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.429 115.2 3.0 -67.7 131.7 115.0 12.8 11.6 40 25 H G T 3 S+ 0 0 10 -2,-0.2 -33,-0.3 55,-0.1 -1,-0.3 0.722 90.0 126.9 67.7 23.9 113.1 12.8 14.9 41 26 H M S < S+ 0 0 3 -3,-1.6 -2,-0.1 1,-0.2 -36,-0.1 0.823 83.1 25.8 -75.8 -31.8 114.5 16.3 15.9 42 27 H S > + 0 0 15 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.642 67.7 166.9-132.5 65.6 110.9 17.6 16.6 43 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.0 0, 0.0 99,-0.1 0.478 76.5 57.6 -66.2 -2.8 108.7 14.6 17.5 44 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.543 77.5 118.1-101.5 -11.6 105.9 16.9 18.7 45 30 H Q E < -J 61 0C 5 -3,-1.8 49,-0.9 16,-0.2 50,-0.4 -0.334 45.1-171.0 -59.5 133.0 105.6 18.8 15.4 46 31 H V E -JK 60 93C 0 14,-2.1 14,-1.4 47,-0.2 2,-0.5 -0.974 16.4-139.6-131.5 142.3 102.1 18.3 13.9 47 32 H M E -JK 59 92C 0 45,-3.1 45,-2.6 -2,-0.3 2,-0.8 -0.890 9.7-144.1-105.8 128.3 100.7 19.2 10.5 48 33 H L E -JK 58 91C 0 10,-3.3 9,-3.7 -2,-0.5 10,-0.8 -0.825 27.9-161.7 -89.5 112.4 97.2 20.7 10.2 49 34 H F E -JK 56 90C 32 41,-3.0 41,-1.1 -2,-0.8 2,-0.3 -0.895 16.1-132.2-113.5 128.5 95.9 19.2 6.9 50 35 H R E > -JK 55 89C 79 5,-4.7 5,-1.4 -2,-0.5 39,-0.2 -0.542 10.0-151.2 -71.8 123.7 93.0 20.4 4.8 51 36 H K E 5S+J 54 0C 91 37,-1.6 3,-0.5 -2,-0.3 -1,-0.1 0.952 77.4 37.8 -65.0 -50.3 90.7 17.5 3.8 52 36AH S T 5S+ 0 0 106 1,-0.6 -1,-0.3 36,-0.3 2,-0.2 -0.864 124.8 24.3-161.4 125.0 89.6 19.2 0.5 53 37 H P T 5S- 0 0 82 0, 0.0 -1,-0.6 0, 0.0 -3,-0.1 0.425 109.1-128.9 -62.3 134.3 91.1 20.7 -1.2 54 38 H Q E 5 +J 51 0C 149 -3,-0.5 2,-0.2 -2,-0.2 -3,-0.2 -0.293 53.3 139.1 -47.6 138.6 93.7 18.5 0.6 55 39 H E E < -J 50 0C 110 -5,-1.4 -5,-4.7 -3,-0.1 2,-0.3 -0.810 58.7 -89.5 173.3 147.6 96.3 21.0 1.7 56 40 H L E +J 49 0C 36 -2,-0.2 -7,-0.2 -7,-0.2 3,-0.1 -0.481 38.1 173.7 -67.2 123.2 98.6 22.1 4.4 57 41 H L E - 0 0 22 -9,-3.7 2,-0.3 1,-0.4 170,-0.2 0.887 53.1 -45.6 -94.9 -64.4 96.9 24.5 6.8 58 42 H b E -J 48 0C 9 -10,-0.8 -10,-3.3 170,-0.1 -1,-0.4 -0.891 54.7 -90.4-158.2-177.8 99.3 25.2 9.6 59 43 H G E +J 47 0C 2 170,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.510 40.4 171.3 -98.3 170.9 101.7 23.7 12.1 60 44 H A E -J 46 0C 0 -14,-1.4 -14,-2.1 -2,-0.2 2,-0.3 -0.914 21.8-120.4-164.3-176.9 100.8 22.5 15.6 61 45 H S E -JL 45 69C 0 8,-1.6 8,-2.5 -2,-0.3 2,-0.6 -0.998 13.8-126.1-147.4 145.9 102.2 20.6 18.5 62 46 H L E + L 0 68C 0 -18,-1.7 86,-1.9 -2,-0.3 6,-0.2 -0.801 30.3 165.6 -90.7 116.9 101.5 17.4 20.5 63 47 H I S S+ 0 0 24 4,-1.4 2,-0.2 -2,-0.6 5,-0.1 0.514 70.3 1.8-111.4 -10.3 101.2 18.2 24.3 64 48 H S S S- 0 0 33 3,-1.0 -1,-0.1 85,-0.1 3,-0.1 -0.849 89.7 -84.8-155.4-171.3 99.5 14.9 25.4 65 49 H D S S+ 0 0 59 -2,-0.2 74,-1.6 1,-0.2 3,-0.1 0.111 127.2 25.2 -96.0 26.2 98.4 11.6 23.7 66 50 H R S S+ 0 0 125 1,-0.2 69,-1.4 72,-0.2 2,-0.4 0.290 108.9 79.4-163.4 3.8 95.1 13.2 22.7 67 51 H W - 0 0 19 67,-0.3 -4,-1.4 72,-0.1 -3,-1.0 -0.958 47.7-166.4-132.6 148.2 95.6 17.0 22.5 68 52 H V E -L 62 0C 0 -2,-0.4 65,-1.3 65,-0.2 2,-0.3 -0.993 10.1-149.1-134.6 136.9 97.1 19.5 20.1 69 53 H L E +LM 61 132C 0 -8,-2.5 -8,-1.6 -2,-0.4 2,-0.3 -0.710 31.1 141.3 -99.5 145.5 98.1 23.1 20.5 70 54 H T E - M 0 131C 0 61,-1.9 61,-1.6 -2,-0.3 2,-0.3 -0.979 51.7 -69.3-173.3 174.3 97.9 25.7 17.7 71 55 H A > - 0 0 0 -12,-0.3 3,-2.0 -2,-0.3 4,-0.4 -0.631 34.6-136.2 -82.0 132.8 97.1 29.3 16.8 72 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.3 3,-1.8 0.840 102.0 64.5 -55.1 -37.3 93.5 30.3 16.9 73 57 H H G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.492 88.8 68.3 -73.7 1.3 93.7 32.1 13.6 74 58 H b G <4 S+ 0 0 1 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.670 116.8 25.5 -86.8 -17.5 94.5 28.8 11.8 75 59 H L T <4 S+ 0 0 2 -3,-1.8 9,-1.1 -4,-0.4 2,-0.3 0.569 130.3 36.7-116.1 -21.7 90.9 27.8 12.6 76 60 H L E < +P 83 0D 41 -4,-2.0 7,-0.2 7,-0.2 -1,-0.2 -0.815 53.4 137.4-148.0 101.9 89.2 31.2 12.9 77 60AH Y E > > -P 82 0D 20 5,-3.0 5,-2.9 -2,-0.3 3,-1.3 -0.732 19.9-179.9-141.8 87.6 89.8 34.4 10.8 78 60BH P G > 5S+ 0 0 37 0, 0.0 3,-5.0 0, 0.0 -1,-0.1 0.912 74.9 65.3 -59.1 -50.9 86.5 36.0 9.8 79 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.536 116.6 35.2 -56.6 1.6 87.8 39.1 7.9 80 60DH W G < 5S- 0 0 35 -3,-1.3 3,-0.1 2,-0.1 -3,-0.0 0.037 117.6-118.5-137.7 17.4 89.1 36.4 5.5 81 60EH D T < 5 + 0 0 148 -3,-5.0 2,-0.6 1,-0.2 -5,-0.0 0.664 60.8 150.6 45.7 34.5 86.1 34.1 6.1 82 60FH K E < +P 77 0D 30 -5,-2.9 -5,-3.0 1,-0.1 -1,-0.2 -0.826 1.6 145.1 -92.6 123.7 88.2 31.3 7.5 83 60GH N E -P 76 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.388 26.4-167.7-161.4 72.7 86.2 29.2 10.1 84 60HH F - 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