==== 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 21-DEC-06 2OCV . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.MARINO,Z.CHEN,C.E.ERGENEKAN,L.A.BUSH,F.S.MATHEWS,E.DI CERA . 284 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.7 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 . 73 25.7 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 . 2 0.7 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 3 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 . 3 4 1 3 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 1NA T 0 0 149 0, 0.0 3,-0.0 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0-112.5 13.7 -32.0 -28.1 2 1MA F + 0 0 103 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.791 360.0 38.9 -87.2 -30.2 15.9 -29.0 -27.7 3 1LA F S S- 0 0 15 280,-0.0 2,-0.6 281,-0.0 3,-0.1 -0.650 90.6-102.7-113.1 172.3 19.0 -31.0 -26.8 4 1KA N >> - 0 0 81 -2,-0.2 4,-3.4 1,-0.1 3,-1.2 -0.871 16.2-148.6-101.4 120.8 20.4 -34.3 -28.0 5 1JA E H 3> S+ 0 0 127 -2,-0.6 4,-2.0 1,-0.3 -1,-0.1 0.816 95.9 66.8 -52.6 -35.4 19.9 -37.3 -25.7 6 1IA K H 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.865 120.9 15.6 -56.1 -41.0 23.2 -38.7 -26.9 7 1HA T H <4 S+ 0 0 16 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.634 129.1 51.7-108.4 -21.8 25.2 -35.9 -25.3 8 1GA F H < S- 0 0 3 -4,-3.4 68,-0.5 1,-0.3 69,-0.3 0.790 97.6-144.1 -85.2 -30.5 22.6 -34.4 -22.9 9 1FA G < - 0 0 3 -4,-2.0 -1,-0.3 -5,-0.4 2,-0.3 -0.671 38.8 -37.3 98.1-157.8 21.8 -37.8 -21.3 10 1EA L S S+ 0 0 88 -2,-0.2 65,-1.8 1,-0.1 66,-0.2 -0.716 101.1 62.1-104.4 156.7 18.3 -38.7 -20.2 11 1DA G > + 0 0 14 -2,-0.3 4,-0.6 63,-0.2 3,-0.4 0.077 63.3 101.9 125.4 -27.1 15.7 -36.6 -18.6 12 1CA E T >4 S+ 0 0 33 -3,-0.3 3,-1.6 1,-0.2 -2,-0.1 0.944 81.5 52.1 -56.6 -56.0 14.7 -33.8 -21.0 13 1BA A T 34 S+ 0 0 72 1,-0.3 -1,-0.2 141,-0.0 141,-0.0 0.807 122.3 32.8 -51.8 -32.8 11.4 -35.2 -22.2 14 1AA D T >4 S+ 0 0 65 -3,-0.4 3,-1.2 139,-0.1 -1,-0.3 0.324 89.7 141.5-108.5 6.7 10.2 -35.7 -18.7 15 1 A a T << + 0 0 13 -3,-1.6 138,-0.2 -4,-0.6 139,-0.1 -0.044 63.9 17.2 -50.8 148.7 12.0 -32.7 -17.1 16 2 A G T 3 S+ 0 0 0 136,-2.8 232,-1.3 231,-0.2 2,-0.7 0.537 89.2 116.1 67.4 9.0 10.2 -30.7 -14.4 17 3 A L < - 0 0 30 -3,-1.2 -1,-0.1 135,-0.3 230,-0.1 -0.899 61.7-138.6-112.7 102.2 7.5 -33.2 -13.5 18 4 A R > > - 0 0 0 -2,-0.7 5,-2.7 1,-0.1 3,-1.5 -0.393 3.3-140.6 -67.4 127.1 8.0 -34.4 -10.0 19 5 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 129,-0.1 0.860 103.0 39.8 -50.0 -45.2 7.6 -38.1 -9.2 20 6 A L T 3 5S+ 0 0 28 128,-0.5 -2,-0.1 30,-0.3 31,-0.1 0.372 130.7 22.8 -90.9 4.2 5.8 -37.5 -5.9 21 7 A F T X >S+ 0 0 12 -3,-1.5 5,-3.6 29,-0.1 3,-0.9 0.438 128.3 23.1-129.3 -88.0 3.8 -34.6 -7.1 22 8 A E G > 5S+ 0 0 29 1,-0.2 3,-1.9 3,-0.2 -5,-0.1 0.907 120.7 59.1 -53.4 -45.0 2.9 -33.9 -10.7 23 9 A K G 3 > S+ 0 0 25 2,-0.1 3,-1.0 3,-0.0 4,-0.8 0.386 85.3 101.0-136.1 4.5 3.0 -23.5 -1.4 31 14CA E H >> S+ 0 0 12 -3,-0.5 4,-2.1 1,-0.3 3,-0.5 0.802 78.5 65.7 -62.4 -24.8 2.9 -23.9 -5.2 32 14DA K H 3> S+ 0 0 139 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.873 94.0 58.6 -63.2 -35.6 -0.5 -22.2 -5.2 33 14EA E H <> S+ 0 0 34 -3,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.818 107.2 48.1 -61.4 -31.3 1.2 -19.0 -4.0 34 14FA L H < S+ 0 0 86 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.886 107.8 55.1 -60.2 -42.3 0.2 -19.8 -9.3 36 14HA D H >< S+ 0 0 81 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.902 102.6 56.3 -59.4 -43.4 -1.7 -16.9 -7.7 37 14IA S H 3< S+ 0 0 26 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 98.3 62.6 -63.3 -20.7 1.2 -14.4 -8.5 38 14JA Y T << 0 0 24 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.523 360.0 360.0 -83.5 -3.2 0.9 -15.4 -12.2 39 14KA I < 0 0 173 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.615 360.0 360.0-127.4 360.0 -2.7 -14.0 -12.2 40 !* 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 41 16 B I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.2 17.8 -19.7 3.1 42 17 B V B +A 228 0A 2 186,-3.1 186,-1.7 1,-0.2 138,-0.1 -0.894 360.0 2.4-108.4 131.0 16.5 -17.0 5.4 43 18 B E S S+ 0 0 93 -2,-0.5 -1,-0.2 136,-0.4 183,-0.2 0.794 103.6 124.2 67.6 29.5 12.9 -16.8 6.5 44 19 B G - 0 0 23 -3,-0.4 2,-0.3 135,-0.1 148,-0.2 -0.143 51.8-128.5-100.8-160.6 12.2 -20.0 4.5 45 20 B W E -B 191 0B 69 146,-2.0 146,-2.5 -2,-0.1 -3,-0.0 -0.978 32.3 -71.8-152.2 161.5 10.7 -23.2 5.6 46 21 B D E -B 190 0B 101 -2,-0.3 144,-0.2 144,-0.2 2,-0.1 -0.206 48.5-119.2 -59.6 142.8 11.4 -27.0 5.5 47 22 B A - 0 0 8 142,-2.6 2,-0.3 59,-0.2 -1,-0.1 -0.433 19.0-125.5 -78.9 152.6 11.0 -28.8 2.3 48 23 B E > - 0 0 57 -2,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.655 49.2 -79.6 -91.0 158.2 8.5 -31.6 1.8 49 24 B K T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.3 57,-0.0 -0.406 115.3 3.3 -64.4 124.2 10.1 -34.9 0.5 50 25 B G T 3 S+ 0 0 8 -2,-0.2 -30,-0.3 99,-0.1 -1,-0.3 0.576 86.1 130.0 79.6 9.8 10.7 -34.7 -3.2 51 26 B I S < S+ 0 0 4 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.715 87.9 18.6 -67.9 -20.1 9.5 -31.1 -3.6 52 27 B A > + 0 0 10 -4,-0.3 3,-2.3 97,-0.1 -1,-0.3 -0.459 68.9 170.0-149.9 67.9 12.7 -30.2 -5.5 53 28 B P T 3 S+ 0 0 3 0, 0.0 98,-1.4 0, 0.0 51,-0.1 0.513 75.9 65.0 -61.2 -3.5 14.3 -33.5 -6.8 54 29 B W T 3 S+ 0 0 2 96,-0.2 18,-1.8 98,-0.1 99,-0.1 0.504 72.1 120.4 -97.8 -5.6 16.7 -31.5 -8.9 55 30 B Q E < -J 71 0C 10 -3,-2.3 49,-0.9 16,-0.2 2,-0.4 -0.356 42.8-170.8 -62.1 135.3 18.5 -29.9 -5.9 56 31 B V E -JK 70 103C 0 14,-2.4 14,-1.1 47,-0.1 2,-0.5 -0.981 16.2-140.9-131.7 141.3 22.2 -30.7 -5.8 57 32 B M E -JK 69 102C 10 45,-2.5 45,-1.8 -2,-0.4 2,-0.7 -0.891 10.8-150.3-104.6 125.7 24.8 -30.1 -3.1 58 33 B L E -JK 68 101C 0 10,-2.8 9,-3.2 -2,-0.5 10,-1.6 -0.852 23.5-174.8 -97.4 117.1 28.3 -29.0 -4.2 59 34 B F E -JK 66 100C 11 41,-3.8 41,-2.0 -2,-0.7 2,-0.6 -0.847 31.2-122.5-115.6 149.6 30.9 -30.2 -1.7 60 35 B R E > -JK 65 99C 71 5,-3.2 5,-1.0 -2,-0.3 39,-0.2 -0.767 44.5-113.5 -83.5 122.4 34.6 -29.7 -1.3 61 36 B K T 5S- 0 0 75 37,-2.9 -1,-0.0 -2,-0.6 39,-0.0 -0.440 74.5 -34.7 -59.2 131.7 36.0 -33.3 -1.3 62 36AB S T 5S+ 0 0 98 1,-0.2 -1,-0.2 -2,-0.1 3,-0.0 0.062 122.6 78.9 -30.6 120.1 37.3 -33.9 2.2 63 37 B P T 5S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.186 107.6-150.8 -37.1 91.0 38.5 -31.5 3.4 64 38 B Q T 5 + 0 0 121 -5,-0.1 2,-0.3 2,-0.0 -3,-0.2 -0.339 33.8 144.3 -65.4 135.9 34.7 -31.9 3.3 65 39 B E E < -J 60 0C 110 -5,-1.0 -5,-3.2 -2,-0.1 2,-0.5 -0.875 50.9-113.8-172.1 135.3 32.6 -28.8 3.2 66 40 B L E +J 59 0C 42 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.654 36.6 170.9 -75.9 122.9 29.4 -27.6 1.6 67 41 B L E - 0 0 19 -9,-3.2 2,-0.3 -2,-0.5 165,-0.2 0.793 51.8 -31.5-102.0 -35.7 30.3 -25.0 -0.9 68 42 B b E -J 58 0C 4 -10,-1.6 -10,-2.8 165,-0.1 -1,-0.3 -0.956 54.7 -93.9-167.2-178.1 27.1 -24.3 -2.9 69 43 B G E +J 57 0C 4 165,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.581 37.4 169.6-106.1 173.0 23.9 -25.4 -4.4 70 44 B A E -J 56 0C 0 -14,-1.1 -14,-2.4 -2,-0.2 2,-0.3 -0.952 22.1-119.3-170.1 175.5 23.3 -26.6 -7.9 71 45 B S E -JL 55 79C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.6 -0.966 13.3-124.4-137.5 152.6 20.6 -28.3 -10.1 72 46 B L E + L 0 78C 0 -18,-1.8 81,-2.8 -2,-0.3 6,-0.2 -0.818 29.3 165.8 -93.8 118.3 20.1 -31.4 -12.1 73 47 B I S S- 0 0 2 4,-2.0 2,-0.3 -2,-0.6 5,-0.1 0.489 74.2 -7.8-107.6 -6.7 19.1 -30.7 -15.7 74 48 B S S S- 0 0 0 3,-1.0 -1,-0.3 -63,-0.1 -63,-0.2 -0.929 87.0 -83.1-168.7 178.2 19.8 -34.3 -17.0 75 49 B D S S+ 0 0 16 -65,-1.8 69,-2.7 -2,-0.3 -66,-0.1 0.399 127.3 26.2 -78.6 4.9 21.3 -37.5 -15.6 76 50 B R S S+ 0 0 60 -68,-0.5 64,-2.7 67,-0.2 2,-0.5 0.451 108.6 74.0-140.4 -10.5 24.8 -36.3 -16.4 77 51 B W E - M 0 139C 0 -69,-0.3 -4,-2.0 62,-0.2 -3,-1.0 -0.937 52.3-171.2-117.7 133.0 24.8 -32.5 -16.4 78 52 B V E -LM 72 138C 0 60,-2.7 60,-3.1 -2,-0.5 2,-0.4 -0.962 11.7-146.8-121.4 134.8 24.6 -30.3 -13.3 79 53 B L E +LM 71 137C 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.800 30.8 141.2-103.3 140.2 24.1 -26.5 -13.4 80 54 B T E - M 0 136C 0 56,-2.3 56,-3.0 -2,-0.4 2,-0.3 -0.920 50.5 -70.4-159.0-178.4 25.6 -24.0 -10.9 81 55 B A >> - 0 0 0 -12,-0.4 3,-1.3 54,-0.3 4,-0.6 -0.637 32.1-132.6 -87.8 143.8 27.2 -20.5 -10.6 82 56 B A H >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.3 3,-1.5 0.882 104.4 62.5 -60.3 -39.0 30.6 -19.8 -12.0 83 57 B H H 34 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.2 172,-0.0 0.657 92.7 64.5 -64.0 -15.2 31.7 -18.1 -8.7 84 58 B b H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.785 115.0 31.7 -75.1 -27.1 31.2 -21.3 -6.8 85 59 B I H << S+ 0 0 4 -3,-1.5 9,-1.8 -4,-0.6 2,-0.5 0.870 130.5 28.7 -93.8 -48.5 34.0 -22.8 -8.9 86 60 B L E < +P 93 0D 42 -4,-2.8 7,-0.3 7,-0.2 -1,-0.2 -0.907 63.7 126.9-127.5 108.2 36.2 -19.8 -9.5 87 60AB Y E > > -P 92 0D 47 5,-2.8 3,-1.0 -2,-0.5 5,-0.6 -0.561 25.4-175.4-155.9 80.9 36.5 -16.8 -7.2 88 60BB P G > 5S+ 0 0 43 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.858 82.3 65.1 -46.4 -44.3 40.1 -16.0 -6.2 89 60CB P G 3 5S+ 0 0 73 0, 0.0 -2,-0.0 0, 0.0 39,-0.0 0.899 111.1 35.4 -47.7 -48.1 38.9 -13.2 -3.8 90 60DB W G < 5S- 0 0 127 -3,-1.0 -3,-0.0 2,-0.1 0, 0.0 0.259 126.4-105.9 -88.6 11.4 37.3 -15.8 -1.6 91 60EB D T < 5S+ 0 0 148 -3,-2.7 2,-0.4 1,-0.2 -5,-0.0 0.999 70.9 147.8 59.2 68.8 40.1 -18.2 -2.5 92 60FB K E < +P 87 0D 25 -5,-0.6 -5,-2.8 2,-0.0 -1,-0.2 -0.983 8.9 125.5-140.4 125.0 38.1 -20.3 -4.9 93 60GB N E +P 86 0D 110 -2,-0.4 -7,-0.2 -7,-0.3 2,-0.2 -0.280 33.7 178.9-176.6 76.9 39.3 -22.1 -7.9 94 60HB F - 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