==== 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 1NRP . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,I.I.MATHEWS . 296 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 3 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 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 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 0 113 0, 0.0 3,-1.7 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 -17.7 107.9 11.7 29.2 2 1 L a T 3 + 0 0 32 1,-0.3 146,-0.2 146,-0.1 147,-0.1 -0.003 360.0 33.2 -44.9 171.9 106.8 14.9 27.4 3 2 L G T 3 S+ 0 0 0 144,-1.3 2,-0.8 245,-0.2 -1,-0.3 0.296 97.0 109.3 52.6 -1.8 109.4 17.4 26.1 4 3 L L < - 0 0 26 -3,-1.7 -1,-0.1 143,-0.2 244,-0.1 -0.660 63.3-150.0-116.8 87.7 111.6 14.3 25.6 5 4 L R > > - 0 0 0 -2,-0.8 5,-1.8 1,-0.2 3,-1.6 -0.231 10.8-141.9 -43.6 113.5 112.1 13.5 22.0 6 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.218 95.0 56.5 -68.8 18.1 112.5 9.7 21.8 7 6 L L T 3 5S+ 0 0 40 33,-0.4 34,-0.1 -2,-0.1 -2,-0.1 0.207 124.2 9.7-131.0 10.4 115.2 9.9 19.0 8 7 L F T X >S+ 0 0 14 -3,-1.6 5,-2.4 32,-0.1 3,-2.1 0.117 131.9 29.4-146.6 -92.2 117.6 12.1 20.8 9 8 L E G > 5S+ 0 0 26 3,-0.3 3,-2.5 1,-0.3 -5,-0.1 0.890 113.9 64.7 -40.3 -56.9 117.3 13.0 24.5 10 9 L K G 3 > - 0 0 1 -2,-0.5 3,-3.4 1,-0.2 4,-0.6 -0.391 26.6-118.0 -59.0 120.5 120.1 17.6 17.0 16 14AL K T 34 S+ 0 0 132 1,-0.3 -1,-0.2 -2,-0.2 4,-0.1 0.453 110.1 40.2 -35.7 -17.4 122.7 19.4 15.0 17 14BL T T 34 S+ 0 0 24 2,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.444 96.4 79.7-119.7 4.3 121.1 23.0 15.6 18 14CL E T X> S+ 0 0 12 -3,-3.4 3,-1.9 1,-0.2 4,-1.0 0.812 81.7 63.3 -76.2 -36.8 120.2 22.5 19.4 19 14DL R H 3X S+ 0 0 139 -4,-0.6 4,-0.9 1,-0.3 -1,-0.2 0.777 97.8 60.0 -59.3 -29.1 123.7 23.2 20.7 20 14EL E H 34 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.576 96.6 62.5 -69.3 -19.0 123.2 26.7 19.2 21 14FL L H <4 S+ 0 0 3 -3,-1.9 3,-0.4 1,-0.2 4,-0.3 0.910 98.5 52.7 -72.7 -52.8 120.2 27.0 21.5 22 14GL L H >X S+ 0 0 72 -4,-1.0 3,-1.7 1,-0.3 4,-1.4 0.791 92.7 71.3 -50.8 -48.8 122.2 26.8 24.8 23 14HL E T 3<>S+ 0 0 72 -4,-0.9 5,-1.0 1,-0.3 -1,-0.3 -0.079 95.9 54.8 -72.8 39.2 124.8 29.5 23.9 24 14IL S T 345S+ 0 0 9 -2,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.434 102.6 51.8-137.6 -28.8 122.1 32.1 24.4 25 14JL Y T <45S+ 0 0 28 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.1 0.741 132.2 19.4 -82.6 -30.2 121.0 31.2 27.9 26 14KL I T <5S- 0 0 123 -4,-1.4 -3,-0.2 0, 0.0 -1,-0.1 0.246 109.4-129.2-121.7 5.9 124.7 31.3 28.9 27 14LL D T 5 - 0 0 128 -5,-0.3 -3,-0.2 2,-0.1 -4,-0.1 0.875 18.7-119.1 35.5 103.9 125.9 33.5 25.9 28 14ML G < 0 0 34 -5,-1.0 -4,-0.1 1,-0.2 -6,-0.0 0.778 360.0 360.0 -22.5 -93.1 128.9 32.0 24.2 29 15 L R 0 0 255 -6,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.509 360.0 360.0-147.4 360.0 132.2 34.0 24.1 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 2 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 106.8 109.9 29.1 7.6 32 17 H V B -A 229 0A 8 197,-1.8 197,-2.7 1,-0.3 143,-0.1 -0.637 360.0 -6.7 -76.5 131.3 112.0 31.9 6.0 33 18 H E S S+ 0 0 101 141,-0.6 -1,-0.3 -2,-0.4 2,-0.2 0.886 101.9 115.7 42.3 83.4 115.7 31.1 6.1 34 19 H G - 0 0 34 -3,-0.4 2,-0.3 194,-0.1 159,-0.2 -0.669 56.1-110.4-150.4-161.8 115.8 27.9 8.1 35 20 H S E -B 192 0B 49 157,-2.2 157,-2.6 -2,-0.2 2,-0.1 -0.954 35.4 -78.6-145.3 161.8 116.9 24.3 7.3 36 21 H D E -B 191 0B 89 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.310 46.8-124.3 -66.1 130.7 115.3 20.9 6.9 37 22 H A - 0 0 14 153,-2.6 2,-0.3 59,-0.1 -1,-0.1 0.257 19.9-119.4 -55.6-166.7 114.4 18.9 10.0 38 23 H E > - 0 0 54 58,-0.0 3,-2.1 -23,-0.0 2,-0.7 -0.990 38.5 -80.8-153.2 141.3 115.5 15.4 11.0 39 24 H I T 3 S+ 0 0 80 -2,-0.3 57,-0.0 1,-0.3 56,-0.0 -0.212 115.9 4.2 -44.3 87.0 113.6 12.3 11.6 40 25 H G T 3 S+ 0 0 12 -2,-0.7 -33,-0.4 104,-0.2 -1,-0.3 0.297 88.5 117.6 119.3 -5.9 112.3 12.7 15.2 41 26 H M S < S+ 0 0 4 -3,-2.1 -2,-0.1 1,-0.2 -36,-0.1 0.081 89.8 20.8 -75.6 7.3 113.3 16.2 16.3 42 27 H S > + 0 0 12 102,-0.1 3,-2.3 -4,-0.1 2,-0.3 -0.153 67.6 169.4-176.4 48.9 109.8 17.6 16.8 43 28 H P T 3 S+ 0 0 6 0, 0.0 103,-3.2 0, 0.0 99,-0.2 0.285 74.4 63.4 -59.4 12.1 107.6 14.6 17.3 44 29 H W T 3 S+ 0 0 4 -2,-0.3 18,-0.9 101,-0.2 2,-0.6 0.045 72.4 115.0-122.6 11.0 104.8 16.9 18.4 45 30 H Q E < -G 61 0C 7 -3,-2.3 49,-0.6 16,-0.2 2,-0.3 -0.886 43.9-176.7 -95.8 130.6 104.4 18.8 15.1 46 31 H V E -GH 60 93C 2 14,-1.8 14,-2.3 -2,-0.6 2,-0.5 -0.924 23.3-127.3-120.8 146.3 101.1 18.2 13.5 47 32 H M E -GH 59 92C 2 45,-2.9 45,-1.7 -2,-0.3 2,-1.5 -0.819 9.9-145.1 -98.9 125.3 99.6 19.3 10.2 48 33 H L E +GH 58 91C 0 10,-4.4 9,-2.7 -2,-0.5 10,-1.4 -0.697 35.7 173.1 -89.3 76.3 96.2 21.1 10.3 49 34 H F E -GH 56 90C 42 -2,-1.5 41,-1.4 41,-0.9 7,-0.3 -0.845 24.8-143.5 -95.5 110.8 95.1 19.5 6.9 50 35 H R E > -GH 55 89C 62 5,-1.3 5,-2.8 -2,-0.6 39,-0.2 -0.486 20.3-122.2 -71.7 146.3 91.5 20.2 5.9 51 36 H K T 5S+ 0 0 83 37,-1.3 3,-0.2 1,-0.2 38,-0.1 0.843 83.9 21.4 -56.5 -51.6 89.9 17.2 4.1 52 36AH S T 5S+ 0 0 95 1,-0.4 -1,-0.2 36,-0.3 3,-0.0 -0.760 109.5 55.0-169.8 123.5 88.9 18.8 0.7 53 37 H P T 5S- 0 0 85 0, 0.0 -1,-0.4 0, 0.0 -3,-0.2 0.013 114.5-134.3 -45.1 95.7 89.9 21.2 -0.7 54 38 H Q T 5 + 0 0 145 -3,-0.2 2,-0.3 -5,-0.1 -3,-0.2 -0.236 58.8 114.2 -42.7 103.1 92.2 18.4 0.4 55 39 H E E < -G 50 0C 73 -5,-2.8 -5,-1.3 -3,-0.0 2,-0.5 -0.967 65.9 -94.5-165.2-177.9 94.8 20.7 1.9 56 40 H L E +G 49 0C 30 -7,-0.3 -7,-0.3 -2,-0.3 3,-0.1 -0.954 24.9 168.1-112.7 113.0 96.9 22.2 4.8 57 41 H L E - 0 0 28 -9,-2.7 2,-0.3 -2,-0.5 176,-0.2 0.793 67.7 -41.5 -94.7 -32.5 96.0 25.5 6.6 58 42 H b E -G 48 0C 0 -10,-1.4 -10,-4.4 178,-0.1 2,-0.3 -0.889 52.1 -99.5-164.0-160.7 98.5 25.1 9.5 59 43 H G E +G 47 0C 2 176,-1.5 12,-0.3 -12,-0.3 -12,-0.3 -0.919 26.4 178.3-140.5 159.6 100.3 23.0 12.1 60 44 H A E -G 46 0C 0 -14,-2.3 -14,-1.8 -2,-0.3 2,-0.4 -0.730 25.2 -98.1-147.0-165.6 99.9 22.4 15.8 61 45 H S E -GI 45 69C 0 8,-1.4 8,-1.5 -2,-0.2 2,-0.9 -0.995 21.2-117.4-140.6 146.6 101.4 20.4 18.7 62 46 H L E + I 0 68C 2 -18,-0.9 86,-2.1 -2,-0.4 6,-0.2 -0.682 39.1 159.3 -78.2 101.7 100.8 17.2 20.6 63 47 H I + 0 0 12 4,-1.5 2,-0.3 -2,-0.9 5,-0.2 0.027 64.7 6.4-116.9 24.3 100.1 18.1 24.3 64 48 H S S S- 0 0 48 3,-0.5 3,-0.5 1,-0.1 75,-0.1 -0.939 89.4 -81.0-179.0-179.1 98.3 14.9 25.3 65 49 H D S S+ 0 0 80 -2,-0.3 74,-1.7 1,-0.3 -1,-0.1 0.772 130.7 4.9 -63.2 -31.8 97.3 11.4 24.3 66 50 H R S S+ 0 0 67 72,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.193 108.3 96.7-150.6 44.1 94.5 13.1 22.5 67 51 H W - 0 0 6 -3,-0.5 -4,-1.5 67,-0.2 -3,-0.5 -0.973 38.4-178.5-144.8 136.4 94.8 16.9 22.7 68 52 H V E -IJ 62 133C 0 65,-1.1 65,-3.3 -2,-0.3 2,-0.3 -0.993 8.3-160.3-135.8 135.8 96.2 19.4 20.2 69 53 H L E +IJ 61 132C 0 -8,-1.5 -8,-1.4 -2,-0.3 63,-0.3 -0.895 18.5 149.0-121.6 153.8 96.5 23.2 20.5 70 54 H T E - J 0 131C 0 61,-4.4 61,-2.4 -2,-0.3 -10,-0.1 -0.846 46.9 -53.0-161.8-172.4 96.9 26.0 17.9 71 55 H A - 0 0 0 -12,-0.3 59,-0.2 -2,-0.2 185,-0.1 -0.303 39.7-139.8 -68.4 156.3 96.4 29.6 16.7 72 56 H A S >> S+ 0 0 0 2,-0.2 3,-4.2 1,-0.1 4,-3.1 0.810 103.8 61.9 -88.1 -36.1 92.7 30.7 16.7 73 57 H H T 34 S+ 0 0 1 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.883 94.9 67.3 -51.0 -31.5 93.1 32.5 13.4 74 58 H b T 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.657 116.8 20.1 -70.7 -10.2 93.9 29.0 12.3 75 59 H L T <4 S+ 0 0 1 -3,-4.2 9,-1.9 7,-0.1 -2,-0.2 0.637 127.8 33.3-127.7 -27.3 90.3 28.0 12.9 76 60 H L < + 0 0 51 -4,-3.1 7,-0.3 7,-0.2 46,-0.1 -0.607 56.9 151.3-142.2 84.3 88.0 31.0 13.0 77 60AH Y > > + 0 0 11 -2,-0.2 5,-5.9 -4,-0.2 3,-0.7 -0.852 13.0 178.5-120.9 102.9 88.6 34.0 10.9 78 60BH P G > 5S+ 0 0 35 0, 0.0 3,-5.6 0, 0.0 -1,-0.2 0.937 75.5 62.3 -56.6 -68.9 85.5 35.9 9.8 79 60CH P G 3 5S+ 0 0 73 0, 0.0 219,-0.0 0, 0.0 -2,-0.0 0.590 122.2 30.2 -43.2 -6.5 86.9 38.8 7.8 80 60DH W G < 5S- 0 0 32 -3,-0.7 3,-0.1 2,-0.2 -3,-0.1 0.028 117.2-118.6-135.9 16.0 88.1 36.0 5.4 81 60EH D T < 5 + 0 0 131 -3,-5.6 2,-0.5 1,-0.2 -5,-0.0 0.811 54.9 162.0 28.2 58.2 85.2 33.8 6.4 82 60FH K < + 0 0 40 -5,-5.9 -1,-0.2 -9,-0.0 -2,-0.2 -0.892 8.2 143.1 -96.1 129.2 87.5 31.2 7.8 83 60GH N + 0 0 96 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.661 19.3 174.7-176.4 107.2 85.5 29.1 10.0 84 60HH F - 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