==== 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 05-OCT-99 1C4Y . COMPND 2 MOLECULE: THROMBIN:SHORT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KRISHNAN,I.MOCHALKIN,R.K.ARNI,A.TULINSKY . 291 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.9 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 . 74 25.4 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 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 0 3 0 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 . 3 5 2 2 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 1B1 A 0 0 115 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -94.2 0.3 58.3 11.5 2 1A1 D > + 0 0 67 1,-0.1 3,-1.7 2,-0.1 145,-0.1 0.352 360.0 144.4 53.9 -14.3 -0.3 58.7 7.8 3 1 1 a T 3 S+ 0 0 31 -2,-1.2 143,-0.3 1,-0.3 144,-0.1 -0.259 71.2 6.7 -52.2 142.7 3.3 57.5 7.3 4 2 1 G T 3 S+ 0 0 0 141,-3.5 2,-0.8 239,-0.2 -1,-0.3 0.307 94.0 117.2 62.2 -3.3 3.5 55.3 4.2 5 3 1 L < - 0 0 32 -3,-1.7 -1,-0.1 140,-0.2 238,-0.1 -0.926 61.0-143.5 -97.7 110.7 -0.1 55.9 2.9 6 4 1 R > > - 0 0 0 -2,-0.8 5,-2.0 1,-0.1 3,-1.3 -0.701 5.1-142.9 -80.6 123.0 0.6 57.6 -0.4 7 5 1 P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.614 99.3 51.1 -63.9 -17.3 -1.9 60.3 -1.3 8 6 1 L T 3 5S+ 0 0 27 30,-0.4 31,-0.1 133,-0.2 133,-0.0 0.573 130.5 7.9 -97.0 -7.4 -1.9 59.5 -5.0 9 7 1 F T X >S+ 0 0 13 -3,-1.3 5,-2.6 29,-0.2 3,-1.4 0.516 128.1 38.9-131.0 -90.9 -2.6 55.8 -4.4 10 8 1 E T 3 5S+ 0 0 32 1,-0.3 3,-0.2 3,-0.2 5,-0.1 0.769 121.7 53.5 -45.8 -20.7 -3.4 54.2 -1.1 11 9 1 K T 3 - 0 0 5 -2,-0.3 3,-1.2 23,-0.1 4,-0.5 -0.664 34.3-102.1 -87.0 154.2 0.5 51.3 -8.7 17 14A1 K T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.491 113.0 29.8 -50.3 -20.4 1.5 49.1 -11.6 18 14B1 T T 3> S+ 0 0 26 2,-0.1 4,-0.5 1,-0.1 3,-0.3 0.470 87.8 93.7-126.6 1.3 3.9 46.8 -9.8 19 14C1 E H X> S+ 0 0 2 -3,-1.2 4,-1.6 1,-0.2 3,-0.5 0.694 74.9 71.0 -63.7 -31.0 2.8 46.5 -6.2 20 14D1 R H >> S+ 0 0 31 -4,-0.5 4,-2.4 1,-0.2 3,-0.5 0.968 91.4 59.8 -45.5 -63.1 0.7 43.4 -7.0 21 14E1 E H 3> S+ 0 0 48 -3,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.728 105.1 48.8 -31.4 -50.9 3.9 41.5 -7.4 22 14F1 L H 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.2 18.5 51.1 -11.1 30 17 2 V B 3 -A 224 0A 2 194,-2.4 194,-2.0 1,-0.2 143,-0.1 -0.762 360.0 -1.0 -92.4 131.0 19.5 48.1 -13.3 31 18 2 E T 3 S+ 0 0 102 141,-0.5 -1,-0.2 -2,-0.5 191,-0.1 0.716 103.4 122.1 65.1 30.7 16.6 46.5 -15.0 32 19 2 G < - 0 0 30 -3,-0.7 2,-0.3 140,-0.1 156,-0.2 0.034 51.4-130.1 -97.8-153.9 13.9 48.7 -13.5 33 20 2 S E -B 187 0B 50 154,-1.0 154,-2.3 -3,-0.1 2,-0.3 -0.930 38.1 -67.2-154.1 169.3 11.3 51.0 -15.2 34 21 2 D E -B 186 0B 94 -2,-0.3 152,-0.2 152,-0.2 151,-0.1 -0.524 55.8-130.9 -63.0 121.9 10.1 54.5 -15.0 35 22 2 A - 0 0 11 150,-3.0 2,-0.3 -2,-0.3 -1,-0.1 -0.246 24.4-103.1 -67.3 167.2 8.4 55.0 -11.7 36 23 2 E > - 0 0 47 1,-0.1 3,-2.5 150,-0.0 4,-0.3 -0.636 41.9 -92.6 -87.8 146.1 4.9 56.6 -11.5 37 24 2 I T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.438 115.9 13.4 -66.8 122.3 4.4 60.2 -10.4 38 25 2 G T 3 S+ 0 0 11 -2,-0.2 -30,-0.4 104,-0.1 -1,-0.3 0.363 90.8 122.3 94.9 3.7 3.8 60.1 -6.7 39 26 2 M S < S+ 0 0 3 -3,-2.5 -2,-0.1 1,-0.3 -33,-0.1 0.767 81.0 27.4 -65.5 -32.4 4.9 56.5 -6.4 40 27 2 S > + 0 0 15 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.623 63.4 168.5-134.2 78.0 7.6 57.2 -3.8 41 28 2 P T 3 S+ 0 0 1 0, 0.0 103,-2.6 0, 0.0 51,-0.1 0.431 80.3 57.8 -65.8 -10.5 6.7 60.3 -1.8 42 29 2 W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 2,-0.4 0.453 77.2 124.6 -98.9 -4.0 9.5 59.5 0.7 43 30 2 Q E < -J 59 0C 3 -3,-2.3 49,-0.9 16,-0.2 50,-0.4 -0.394 41.6-169.2 -66.3 118.7 12.1 59.6 -2.1 44 31 2 V E -JK 58 91C 0 14,-2.4 14,-1.0 -2,-0.4 2,-0.6 -0.873 13.5-152.2-111.9 132.6 14.9 62.1 -1.2 45 32 2 M E -JK 57 90C 0 45,-2.9 45,-3.4 -2,-0.4 2,-0.7 -0.964 12.6-147.3-109.8 112.1 17.6 63.2 -3.7 46 33 2 L E -JK 56 89C 0 10,-1.5 9,-1.6 -2,-0.6 10,-1.2 -0.788 24.6-160.6 -82.7 111.9 20.8 64.2 -1.8 47 34 2 F E -JK 54 88C 0 41,-3.0 41,-2.9 -2,-0.7 2,-0.5 -0.839 14.4-139.2-108.1 148.6 22.3 67.0 -3.9 48 35 2 R E > -JK 53 87C 69 5,-1.8 5,-1.7 -2,-0.4 39,-0.2 -0.879 5.0-155.4-107.6 120.9 25.8 68.5 -4.1 49 36 2 K T 5S+ 0 0 57 37,-2.1 3,-0.2 -2,-0.5 -1,-0.1 0.880 77.5 49.4 -67.8 -47.1 26.2 72.3 -4.4 50 36A2 S T 5S+ 0 0 103 1,-0.5 -1,-0.3 36,-0.3 2,-0.2 -0.902 123.5 21.3-142.4 112.5 29.7 72.4 -6.1 51 37 2 P T 5S- 0 0 65 0, 0.0 2,-1.0 0, 0.0 -1,-0.5 0.644 103.9-125.5 -69.5 160.9 29.9 70.7 -8.4 52 38 2 Q T 5 + 0 0 71 -3,-0.2 2,-0.3 -2,-0.2 234,-0.2 -0.593 58.1 143.6 -74.8 104.3 26.1 70.6 -8.9 53 39 2 E E < -J 48 0C 67 -5,-1.7 -5,-1.8 -2,-1.0 2,-0.1 -0.992 60.1-102.3-153.3 151.8 25.6 66.8 -8.8 54 40 2 L E +J 47 0C 31 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.426 39.6 168.3 -65.4 139.4 23.6 63.7 -7.8 55 41 2 L E - 0 0 20 -9,-1.6 2,-0.3 1,-0.5 173,-0.2 0.605 52.9 -43.8-120.1 -40.0 25.3 62.2 -4.8 56 42 2 b E -J 46 0C 1 -10,-1.2 -10,-1.5 172,-0.1 -1,-0.5 -0.958 52.2 -94.0-175.2-177.6 22.9 59.6 -3.5 57 43 2 G E +J 45 0C 2 173,-2.7 12,-0.3 -2,-0.3 2,-0.3 -0.467 37.0 169.6-105.8-177.4 19.4 58.7 -2.5 58 44 2 A E -J 44 0C 0 -14,-1.0 -14,-2.4 -2,-0.2 2,-0.3 -0.925 23.6-120.8-179.4 175.3 17.8 59.1 0.9 59 45 2 S E -JL 43 67C 0 8,-2.1 8,-4.4 -2,-0.3 2,-0.7 -0.969 16.4-119.6-139.7 150.8 14.3 58.8 2.4 60 46 2 L E + L 0 66C 0 -18,-1.7 86,-2.0 -2,-0.3 6,-0.2 -0.832 31.6 168.3 -92.2 111.8 11.9 61.1 4.4 61 47 2 I - 0 0 23 4,-1.7 2,-0.2 -2,-0.7 5,-0.2 0.657 69.9 -9.8-100.2 -13.0 11.1 59.6 7.8 62 48 2 S S S- 0 0 38 3,-1.3 -1,-0.1 85,-0.1 84,-0.1 -0.820 85.1 -82.3-167.2-173.5 9.5 62.7 9.3 63 49 2 D S S+ 0 0 73 -2,-0.2 74,-2.1 1,-0.2 72,-0.1 0.565 128.4 29.3 -81.9 -14.7 9.0 66.4 8.5 64 50 2 R S S+ 0 0 67 72,-0.2 69,-3.7 1,-0.1 2,-0.4 0.653 111.3 65.9-116.8 -24.1 12.4 67.2 9.8 65 51 2 W E - M 0 132C 5 67,-0.2 -4,-1.7 65,-0.0 -3,-1.3 -0.894 52.2-164.8-116.6 139.8 14.6 64.1 9.3 66 52 2 V E -LM 60 131C 0 65,-2.7 65,-1.8 -2,-0.4 2,-0.5 -0.782 19.5-134.8-110.5 151.4 15.9 62.3 6.2 67 53 2 L E +LM 59 130C 0 -8,-4.4 -8,-2.1 -2,-0.3 2,-0.3 -0.966 36.1 148.3-113.6 131.5 17.3 58.8 6.3 68 54 2 T E - M 0 129C 0 61,-2.5 61,-2.3 -2,-0.5 2,-0.3 -0.871 45.1 -91.5-148.3 176.8 20.5 57.8 4.5 69 55 2 A > - 0 0 0 -12,-0.3 3,-0.8 59,-0.3 59,-0.2 -0.680 29.2-131.6 -89.6 148.5 23.7 55.6 4.5 70 56 2 A G >> S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 3,-2.2 0.848 102.2 68.9 -70.9 -34.8 26.9 56.9 6.1 71 57 2 H G 34 S+ 0 0 19 1,-0.3 -1,-0.2 2,-0.2 159,-0.0 0.670 89.0 63.0 -62.7 -17.1 28.9 56.0 3.0 72 58 2 b G <4 S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.699 119.6 27.7 -78.0 -17.0 27.2 58.8 1.0 73 59 2 L T <4 S+ 0 0 2 -3,-2.2 9,-1.9 1,-0.2 2,-0.5 0.746 125.3 34.3-108.4 -44.2 28.8 61.1 3.5 74 60 2 L E < +P 81 0D 41 -4,-3.3 -1,-0.2 7,-0.2 7,-0.2 -0.906 50.7 141.8-133.7 110.3 32.0 59.5 4.9 75 60A2 Y E >>> -P 80 0D 55 5,-2.9 3,-4.4 -2,-0.5 5,-1.3 -0.651 21.5-174.2-145.5 73.8 34.4 57.3 2.9 76 60B2 P G >45S+ 0 0 49 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.819 84.0 59.9 -33.4 -53.4 37.9 58.2 4.0 77 60C2 P G 345S+ 0 0 68 0, 0.0 -3,-0.0 0, 0.0 44,-0.0 0.659 110.6 42.8 -53.3 -21.5 39.4 55.9 1.3 78 60D2 W G <45S- 0 0 188 -3,-4.4 3,-0.1 2,-0.1 -4,-0.0 0.347 115.7-112.2-108.8 8.7 37.6 58.0 -1.3 79 60E2 D T <<5 + 0 0 160 -3,-2.4 2,-0.7 -4,-0.6 -5,-0.0 0.912 68.7 152.8 62.8 36.4 38.4 61.4 0.3 80 60F2 K E < +P 75 0D 45 -5,-1.3 -5,-2.9 2,-0.0 -1,-0.2 -0.894 5.2 135.5-108.4 107.4 34.6 61.6 0.9 81 60G2 N E -P 74 0D 119 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.733 28.1-174.6-154.4 88.8 33.6 63.7 3.9 82 60H2 F - 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