==== 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 24-AUG-92 1ABJ . COMPND 2 MOLECULE: ALPHA-THROMBIN (SMALL SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.QIU,A.TULINSKY . 286 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.1 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 . 76 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 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 1 1 1 0 0 0 0 1 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 . 4 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 0 131 0, 0.0 146,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 16.4 -4.3 45.1 32.3 2 1AL D > + 0 0 83 144,-0.0 3,-1.0 143,-0.0 145,-0.1 -0.016 360.0 144.4-151.4 -0.3 -4.9 43.2 35.5 3 1 L a T 3 + 0 0 25 1,-0.2 143,-0.3 143,-0.1 3,-0.1 -0.092 52.1 20.2 -52.8 148.8 -3.3 40.2 33.9 4 2 L G T 3 S+ 0 0 0 141,-2.1 243,-1.9 242,-0.1 2,-0.6 0.487 86.3 115.9 65.3 12.7 -1.1 37.7 35.6 5 3 L L < - 0 0 32 -3,-1.0 -1,-0.1 140,-0.3 241,-0.1 -0.982 58.1-141.7-112.0 119.8 -2.2 38.3 39.2 6 4 L R >>> - 0 0 0 -2,-0.6 5,-3.7 1,-0.1 3,-1.4 -0.688 3.4-148.4 -87.6 124.8 -3.9 35.3 40.7 7 5 L P T 345S+ 0 0 12 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.929 99.2 42.7 -51.8 -60.5 -6.9 35.8 43.0 8 6 L L T 345S+ 0 0 37 133,-0.6 31,-0.1 3,-0.2 29,-0.1 0.566 133.6 21.4 -69.1 -5.5 -6.4 32.8 45.2 9 7 L F T <4>S+ 0 0 14 -3,-1.4 5,-3.9 29,-0.1 -1,-0.1 0.697 136.1 17.0-126.5 -70.5 -2.7 33.6 45.3 10 8 L E T ><5S+ 0 0 15 -4,-1.1 3,-2.1 2,-0.2 -2,-0.1 0.914 125.6 55.7 -74.2 -42.7 -1.3 37.1 44.5 11 9 L K T 3 - 0 0 4 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.501 37.1-105.7 -83.7 158.4 2.2 28.7 45.3 17 14AL K T 3 S+ 0 0 141 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.541 113.0 22.9 -59.3 -10.0 4.0 25.6 46.6 18 14BL T T 3> S+ 0 0 43 2,-0.1 4,-0.5 3,-0.0 -1,-0.2 0.184 84.8 103.0-148.6 29.5 6.8 25.9 44.0 19 14CL E H <> S+ 0 0 7 -3,-1.2 4,-1.6 2,-0.2 221,-0.1 0.572 75.4 67.2 -84.2 -17.8 7.1 29.4 42.6 20 14DL R H > S+ 0 0 159 -4,-0.3 4,-3.1 2,-0.2 5,-0.2 0.864 92.3 61.5 -67.7 -41.0 10.2 30.2 44.7 21 14EL E H 4 S+ 0 0 52 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.932 107.5 44.3 -47.9 -49.0 12.1 27.7 42.7 22 14FL L H >X S+ 0 0 0 -4,-0.5 3,-1.0 1,-0.2 4,-0.7 0.897 112.6 50.6 -63.8 -43.8 11.4 29.8 39.7 23 14GL L H 3< S+ 0 0 58 -4,-1.6 3,-0.4 1,-0.3 -2,-0.2 0.834 107.6 56.0 -69.1 -28.6 12.3 33.0 41.6 24 14HL E T 3< S+ 0 0 108 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.517 102.8 53.6 -78.1 -12.4 15.5 31.4 42.6 25 14IL S T <4 S+ 0 0 23 -3,-1.0 2,-2.8 -4,-0.5 -1,-0.2 0.597 83.0 87.7 -95.3 -21.9 16.6 30.7 39.1 26 14JL Y < 0 0 17 -4,-0.7 -1,-0.1 -3,-0.4 136,-0.1 -0.602 360.0 360.0 -79.0 63.0 16.2 34.3 37.9 27 14KL I 0 0 170 -2,-2.8 -1,-0.3 -3,-0.0 134,-0.0 0.243 360.0 360.0 34.3 360.0 19.7 34.8 39.1 28 !* 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 29 16 H I 0 0 1 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 122.1 3.0 16.2 31.5 30 17 H V B -A 227 0A 12 197,-2.3 197,-1.5 1,-0.2 143,-0.1 -0.759 360.0 -10.2 -94.7 122.2 5.9 14.0 32.3 31 18 H E S S+ 0 0 128 -2,-0.6 -1,-0.2 141,-0.4 194,-0.2 0.794 102.2 126.2 69.2 31.0 7.2 13.8 35.8 32 19 H G - 0 0 27 -3,-0.5 2,-0.3 195,-0.1 159,-0.2 0.228 51.9-118.3 -95.6-147.7 5.1 16.8 37.0 33 20 H S E -B 190 0B 64 157,-1.3 157,-2.4 -2,-0.0 2,-0.1 -0.970 34.2 -77.5-157.5 153.9 2.7 17.2 39.9 34 21 H D E -B 189 0B 107 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.429 53.8-122.0 -55.2 126.1 -1.0 17.9 40.5 35 22 H A - 0 0 7 153,-3.6 153,-0.1 1,-0.1 2,-0.1 -0.251 23.8-110.9 -67.9 152.4 -1.6 21.7 40.2 36 23 H E > - 0 0 50 1,-0.1 3,-1.2 -2,-0.1 4,-0.3 -0.436 44.7 -87.7 -82.1 157.6 -3.1 23.6 43.1 37 24 H I T 3 S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.1 57,-0.1 -0.535 115.2 7.0 -67.4 133.7 -6.6 25.0 42.7 38 25 H G T 3 S+ 0 0 12 -2,-0.2 -1,-0.2 2,-0.1 -30,-0.2 0.576 94.2 125.3 69.3 4.3 -6.6 28.4 41.0 39 26 H M S < S+ 0 0 2 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.751 81.0 23.8 -63.9 -27.0 -2.8 28.0 40.4 40 27 H S S > S+ 0 0 15 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.623 70.4 175.7-147.4 75.5 -3.1 28.6 36.6 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 99,-0.1 0.511 76.3 56.0 -61.2 -10.7 -6.2 30.6 36.1 42 29 H W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.367 74.0 126.2-101.2 -6.5 -5.6 31.1 32.3 43 30 H Q E < -J 59 0C 7 -3,-2.1 49,-0.7 16,-0.2 2,-0.4 -0.351 40.3-171.5 -57.6 133.5 -5.4 27.4 31.6 44 31 H V E -JK 58 91C 0 14,-2.8 14,-1.2 47,-0.1 2,-0.5 -0.959 17.1-142.0-129.4 147.3 -7.9 26.5 28.8 45 32 H M E -JK 57 90C 0 45,-2.0 45,-1.6 -2,-0.4 2,-0.4 -0.972 10.0-146.8-109.8 111.5 -8.9 23.1 27.5 46 33 H L E -JK 56 89C 0 10,-3.0 9,-2.4 -2,-0.5 10,-1.1 -0.690 28.2-169.6 -75.3 129.2 -9.5 22.8 23.7 47 34 H F E -JK 54 88C 27 41,-2.0 41,-3.3 -2,-0.4 2,-0.3 -0.992 20.2-129.6-137.6 135.1 -12.3 20.2 23.4 48 35 H R E > -JK 53 87C 74 5,-2.8 5,-0.8 -2,-0.4 39,-0.2 -0.694 11.2-142.4 -75.7 130.5 -13.8 18.3 20.5 49 36 H K T 5S+ 0 0 72 37,-3.5 3,-0.2 -2,-0.3 -1,-0.1 0.915 82.7 31.2 -61.8 -45.0 -17.5 18.3 20.0 50 36AH S T 5S+ 0 0 84 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.812 120.1 31.2-170.9 123.7 -17.7 14.6 18.8 51 37 H P T 5S- 0 0 79 0, 0.0 2,-0.7 0, 0.0 -1,-0.5 0.411 103.0-126.0 -58.7 142.6 -16.1 12.4 19.5 52 38 H Q T 5 + 0 0 148 -3,-0.2 2,-0.4 -2,-0.1 -3,-0.2 -0.504 51.8 150.0 -65.4 107.8 -15.8 14.2 22.8 53 39 H E E < -J 48 0C 80 -5,-0.8 -5,-2.8 -2,-0.7 2,-0.5 -0.998 53.4-116.4-147.0 150.6 -12.0 14.5 23.3 54 40 H L E +J 47 0C 45 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.770 36.5 174.1 -76.3 125.1 -9.5 16.7 25.0 55 41 H L E - 0 0 18 -9,-2.4 2,-0.3 -2,-0.5 176,-0.2 0.803 51.2 -28.8 -98.2 -50.6 -7.4 18.0 22.1 56 42 H b E -J 46 0C 2 -10,-1.1 -10,-3.0 176,-0.1 -1,-0.4 -0.938 54.7-102.5-156.4 173.9 -5.0 20.6 23.5 57 43 H G E +J 45 0C 3 176,-2.5 12,-0.4 175,-0.3 2,-0.3 -0.472 38.1 171.2 -94.1 174.0 -4.3 23.2 26.2 58 44 H A E -J 44 0C 0 -14,-1.2 -14,-2.8 -2,-0.2 2,-0.4 -0.910 22.1-117.9-178.3 166.4 -4.6 26.9 25.5 59 45 H S E -JL 43 67C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.5 -0.974 12.2-121.4-138.0 151.5 -4.6 30.1 27.5 60 46 H L E + L 0 66C 0 -18,-2.1 86,-2.0 -2,-0.4 6,-0.2 -0.750 31.8 162.2 -80.9 116.4 -6.7 33.0 28.4 61 47 H I S S- 0 0 24 4,-1.9 2,-0.3 -2,-0.5 5,-0.1 0.100 73.7 -6.5-120.6 17.0 -5.3 36.4 27.4 62 48 H S S S- 0 0 33 3,-0.6 -1,-0.1 -59,-0.0 84,-0.1 -0.900 85.5 -89.2 174.4-178.4 -8.5 38.5 27.6 63 49 H D S S+ 0 0 59 -2,-0.3 74,-1.6 1,-0.1 72,-0.1 0.344 128.3 31.6 -96.9 9.0 -12.2 37.6 28.2 64 50 H R S S+ 0 0 52 72,-0.2 69,-1.9 1,-0.1 2,-0.4 0.404 108.7 74.6-130.4 -21.0 -12.7 37.1 24.4 65 51 H W E - M 0 132C 27 67,-0.2 -4,-1.9 65,-0.0 -3,-0.6 -0.921 49.5-177.4-112.2 137.7 -9.2 35.9 23.2 66 52 H V E -LM 60 131C 0 65,-3.5 65,-2.9 -2,-0.4 2,-0.4 -0.969 12.9-150.4-125.6 137.6 -7.6 32.5 23.6 67 53 H L E +LM 59 130C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.858 28.7 144.1-112.3 134.4 -4.0 31.5 22.4 68 54 H T E - M 0 129C 0 61,-2.3 61,-1.6 -2,-0.4 2,-0.4 -0.838 50.6 -73.5-146.8-166.9 -3.0 28.0 21.3 69 55 H A > - 0 0 0 -12,-0.4 3,-1.7 59,-0.2 4,-0.5 -0.844 32.9-135.0-101.0 136.7 -0.8 26.0 18.9 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-0.8 0.704 103.2 64.2 -52.7 -38.1 -1.9 25.9 15.2 71 57 H H G 34 S+ 0 0 5 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.529 90.7 69.9 -68.7 -9.8 -1.2 22.1 14.9 72 58 H b G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.884 116.8 19.6 -71.6 -39.5 -4.0 21.8 17.5 73 59 H L T <4 S+ 0 0 0 -3,-0.8 9,-3.0 -4,-0.5 2,-0.4 0.817 132.8 31.5-100.5 -37.7 -6.4 22.9 14.7 74 60 H L E < +P 81 0D 41 -4,-3.1 -1,-0.2 7,-0.2 7,-0.2 -0.960 54.2 142.7-136.2 116.2 -4.6 22.3 11.4 75 60AH Y E > > -P 80 0D 18 5,-1.9 5,-2.7 -2,-0.4 3,-1.1 -0.694 18.8-177.7-154.4 88.1 -2.1 19.5 10.7 76 60BH P G > 5S+ 0 0 50 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.852 76.2 68.4 -64.3 -40.4 -2.6 18.1 7.2 77 60CH P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.766 112.5 36.7 -50.9 -25.3 0.0 15.4 7.3 78 60DH W G < 5S- 0 0 158 -3,-1.1 -4,-0.0 2,-0.1 0, 0.0 0.188 119.4-104.2-114.0 14.6 -2.3 13.8 9.9 79 60EH D T < 5 + 0 0 161 -3,-3.0 2,-0.5 1,-0.2 -5,-0.0 0.687 69.3 151.7 73.2 16.2 -5.7 14.7 8.4 80 60FH K E < +P 75 0D 47 -5,-2.7 -5,-1.9 1,-0.0 -1,-0.2 -0.810 3.5 140.9 -88.7 126.4 -6.3 17.4 11.1 81 60GH N E -P 74 0D 106 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.398 21.6-179.3-161.2 74.6 -8.5 20.3 10.1 82 60HH F - 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