==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-00 1E0F . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.RICHARDSON,B.KROEGER,W.HOEFKEN,P.PEREIRA,R.HUBER,W.BODE, . 1048 9 21 18 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 258 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 4 0.4 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 . 109 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 1 2 3 2 2 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 12 18 5 10 8 7 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 . 6 5 0 0 0 3 0 3 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 1HA T 0 0 189 0, 0.0 6,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 171.1 57.0 72.9 5.6 2 1GA F > + 0 0 192 2,-0.0 2,-0.9 1,-0.0 3,-0.9 0.480 360.0 120.7-104.2-111.9 53.4 72.0 4.5 3 1FA G T 3 S- 0 0 64 1,-0.2 3,-0.1 4,-0.0 -1,-0.0 -0.742 93.7 -54.7 85.5-106.6 51.6 68.7 5.3 4 1EA S T 3 S- 0 0 103 -2,-0.9 2,-0.3 1,-0.0 -1,-0.2 0.229 95.7 -57.7-157.3 13.3 48.5 69.6 7.3 5 1DA G S < S+ 0 0 57 -3,-0.9 2,-0.4 -4,-0.0 -1,-0.0 -0.913 99.6 28.1 150.7-123.2 49.5 71.7 10.3 6 1CA E - 0 0 190 -2,-0.3 2,-1.0 -3,-0.1 3,-0.4 -0.659 54.7-148.4 -85.8 132.9 51.8 71.2 13.2 7 1BA A + 0 0 80 -2,-0.4 -1,-0.0 1,-0.2 222,-0.0 -0.736 66.9 98.9-102.1 85.2 54.9 68.9 12.9 8 1AA D > + 0 0 62 -2,-1.0 3,-1.0 219,-0.0 -1,-0.2 0.248 49.0 125.1-145.2 1.5 55.3 67.5 16.4 9 1 A a T 3 + 0 0 30 -3,-0.4 219,-0.2 1,-0.2 220,-0.1 -0.119 65.4 29.3 -62.8 163.6 53.6 64.1 16.0 10 2 A G T 3 S+ 0 0 0 217,-2.5 2,-0.8 318,-0.2 319,-0.4 0.440 89.2 114.3 65.4 0.0 55.4 60.9 16.7 11 3 A L < - 0 0 36 -3,-1.0 -1,-0.1 216,-0.3 317,-0.1 -0.850 59.1-148.9-107.4 98.2 57.6 62.5 19.4 12 4 A R > > - 0 0 0 -2,-0.8 5,-2.4 1,-0.2 3,-0.9 -0.478 3.9-150.2 -63.0 128.7 56.8 61.1 22.8 13 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 210,-0.1 0.669 97.6 52.8 -74.8 -15.4 57.4 63.9 25.3 14 6 A L T 3 5S+ 0 0 35 106,-0.3 -2,-0.1 209,-0.3 107,-0.1 0.407 129.6 7.9 -98.7 -1.6 58.2 61.3 27.8 15 7 A F T X >S+ 0 0 12 -3,-0.9 5,-2.3 105,-0.1 3,-0.6 0.412 128.4 40.0-138.5 -71.9 60.8 59.5 25.7 16 8 A E G > 5S+ 0 0 26 1,-0.3 3,-1.8 3,-0.2 -5,-0.1 0.944 119.9 46.1 -53.8 -53.7 61.9 61.0 22.4 17 9 A K G 3 > - 0 0 0 -2,-0.5 3,-0.7 1,-0.1 4,-0.7 -0.621 33.5-105.7 -80.7 146.1 62.0 52.2 26.1 23 14AA K T >4 S+ 0 0 169 -2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.860 115.3 39.0 -33.8 -70.8 62.8 48.5 26.5 24 14BA T T >> S+ 0 0 25 1,-0.2 3,-2.1 2,-0.1 4,-0.8 0.780 95.1 85.6 -58.1 -31.9 61.4 47.1 23.2 25 14CA E H X> S+ 0 0 12 -3,-0.7 3,-1.7 1,-0.3 4,-1.4 0.842 82.8 57.3 -35.6 -60.0 62.5 50.0 21.1 26 14DA R H S+ 0 0 60 -3,-2.1 4,-1.0 -4,-0.3 -1,-0.3 0.835 101.1 52.5 -68.9 -35.7 64.5 45.5 18.9 28 14FA L H << S+ 0 0 0 -3,-1.7 4,-0.4 -4,-0.8 3,-0.4 0.916 108.4 50.5 -68.0 -43.3 62.7 47.4 16.2 29 14GA L H >< S+ 0 0 64 -4,-1.4 3,-1.4 1,-0.2 4,-0.3 0.922 108.2 52.3 -62.2 -41.7 65.8 49.2 15.1 30 14HA E H >X S+ 0 0 100 -4,-1.7 4,-1.1 1,-0.3 3,-1.0 0.757 99.7 65.5 -66.1 -23.8 67.8 45.9 14.9 31 14IA S T 3< S+ 0 0 16 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.634 86.1 71.3 -73.7 -13.9 65.0 44.4 12.7 32 14JA Y T <4 S+ 0 0 27 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.666 120.6 6.5 -77.9 -14.0 65.7 46.9 9.9 33 14KA I T X4 S+ 0 0 143 -3,-1.0 3,-1.2 -4,-0.3 -2,-0.2 0.606 105.0 89.9-126.8 -63.2 69.0 45.2 8.9 34 14LA D T 3< S+ 0 0 134 -4,-1.1 -1,-0.1 1,-0.2 0, 0.0 -0.084 71.9 55.1 -50.1 131.9 69.6 41.9 10.9 35 14MA G T 3 0 0 69 -3,-0.1 -1,-0.2 0, 0.0 -4,-0.1 -0.238 360.0 360.0 137.6 -40.7 68.3 38.7 9.4 36 15 A R < 0 0 253 -3,-1.2 -2,-0.2 0, 0.0 -3,-0.0 0.389 360.0 360.0-132.6 360.0 70.1 39.0 6.0 37 !* 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 38 1HB T 0 0 193 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 12.7 71.3 68.4 39 1GB F + 0 0 205 2,-0.0 2,-0.4 3,-0.0 5,-0.1 -0.497 360.0 125.2-156.3-131.4 14.1 70.8 64.8 40 1FB G S S- 0 0 59 -2,-0.2 2,-0.3 1,-0.1 3,-0.1 -0.771 71.2 -68.9 94.2-135.7 16.0 68.3 62.8 41 1EB S S S- 0 0 117 -2,-0.4 2,-0.2 1,-0.0 -1,-0.1 -0.800 74.1 -44.7-166.1 116.0 14.4 67.1 59.5 42 1DB G S S+ 0 0 67 -2,-0.3 2,-1.3 1,-0.1 3,-0.2 -0.413 114.8 12.4 72.5-129.6 11.4 65.0 58.9 43 1CB E > + 0 0 47 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 -0.684 59.5 163.3 -90.1 84.7 10.8 61.8 60.8 44 1BB A T 3 S+ 0 0 66 -2,-1.3 -1,-0.2 1,-0.3 2,-0.1 0.853 74.8 63.5 -69.9 -31.1 13.3 61.9 63.7 45 1AB D T > S+ 0 0 66 -3,-0.2 3,-1.0 2,-0.1 -1,-0.3 0.041 78.6 139.9 -82.0 27.8 11.3 59.2 65.5 46 1 B b T < + 0 0 20 -3,-0.9 440,-0.2 1,-0.2 441,-0.1 -0.239 59.1 24.0 -68.4 158.3 12.1 56.8 62.7 47 2 B G T 3 S+ 0 0 0 438,-3.0 540,-1.2 1,-0.2 2,-0.8 0.399 89.5 116.9 69.5 -6.0 12.9 53.1 63.4 48 3 B L < - 0 0 38 -3,-1.0 -1,-0.2 437,-0.2 538,-0.1 -0.858 60.5-143.5 -99.6 102.9 11.0 53.2 66.8 49 4 B R > > - 0 0 1 -2,-0.8 5,-2.3 1,-0.1 3,-1.8 -0.536 2.9-145.8 -71.1 121.7 8.2 50.8 66.5 50 5 B P T 3 5S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 431,-0.1 0.684 98.4 49.3 -57.2 -25.8 5.0 52.0 68.4 51 6 B L T 3 5S+ 0 0 5 430,-0.4 328,-0.1 327,-0.3 -2,-0.1 0.440 129.4 11.1 -97.1 -2.8 4.0 48.4 69.4 52 7 B F T X >S+ 0 0 2 -3,-1.8 5,-2.6 326,-0.1 3,-1.5 0.420 130.5 32.4-135.4 -78.3 7.4 47.5 70.8 53 8 B E G > 5S+ 0 0 25 1,-0.3 3,-1.8 3,-0.2 -5,-0.1 0.943 118.1 56.2 -54.0 -47.2 10.1 50.0 71.4 54 9 B K G 3 > - 0 0 2 -2,-0.4 3,-1.7 1,-0.1 4,-0.5 -0.344 38.0-102.5 -65.3 146.9 9.9 40.6 70.0 60 14AB K T >4 S+ 0 0 190 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.811 117.2 34.7 -33.0 -62.2 11.0 37.0 70.7 61 14BB T T >> S+ 0 0 41 1,-0.2 4,-1.1 2,-0.1 3,-0.7 0.524 89.2 97.4 -81.1 -5.2 14.1 36.7 68.5 62 14CB E H X> S+ 0 0 5 -3,-1.7 4,-1.6 1,-0.3 3,-1.1 0.901 80.0 57.3 -47.9 -50.3 15.2 40.3 68.9 63 14DB R H S+ 0 0 37 -3,-0.7 4,-1.2 -4,-0.3 -1,-0.3 0.883 104.6 46.4 -51.8 -42.3 19.3 36.9 69.1 65 14FB L H XX S+ 0 0 0 -3,-1.1 4,-1.4 -4,-1.1 3,-0.6 0.985 111.2 50.1 -63.9 -56.5 20.2 39.9 67.0 66 14GB L H 3X S+ 0 0 37 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.809 104.3 59.6 -52.9 -37.4 21.6 42.0 69.9 67 14HB E H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 100.6 53.0 -59.4 -49.0 23.8 39.1 71.1 68 14IB S H << S+ 0 0 34 -4,-1.2 3,-0.3 -3,-0.6 -1,-0.2 0.930 110.2 49.8 -55.0 -43.1 25.8 38.8 67.9 69 14JB Y H < S+ 0 0 14 -4,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.965 134.3 1.1 -59.9 -57.3 26.6 42.5 68.1 70 14KB I S < S+ 0 0 118 -4,-2.3 -1,-0.3 0, 0.0 2,-0.2 -0.908 76.5 167.3-140.8 111.9 27.8 42.4 71.7 71 14LB D - 0 0 82 -2,-0.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.694 38.0-112.0-117.3 167.8 27.9 39.2 73.8 72 14MB G 0 0 75 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.982 360.0 360.0 -63.2 -88.4 29.4 38.4 77.2 73 15 B R 0 0 304 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.105 360.0 360.0-145.5 360.0 32.3 35.9 76.8 74 !* 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 75 1GC F 0 0 228 0, 0.0 809,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.5 -21.6 68.3 80.7 76 1FC G + 0 0 15 2,-0.1 3,-0.4 807,-0.1 2,-0.2 0.997 360.0 52.0 -58.9 -76.6 -21.4 65.1 82.9 77 1EC S + 0 0 39 1,-0.2 582,-0.1 582,-0.1 -1,-0.0 -0.485 67.0 117.5 -66.9 126.9 -21.6 62.4 80.3 78 1DC G - 0 0 56 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.287 45.4-161.5-154.8 -45.5 -19.0 63.1 77.6 79 1CC E > + 0 0 56 -3,-0.4 3,-2.0 1,-0.1 -2,-0.1 0.700 31.0 154.0 56.4 28.0 -16.5 60.2 77.6 80 1BC A T 3 S+ 0 0 81 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.668 83.5 30.0 -58.5 -17.2 -13.9 62.3 75.8 81 1AC D T > S+ 0 0 86 662,-0.0 3,-1.9 762,-0.0 -1,-0.3 0.193 89.6 143.8-124.0 9.7 -11.2 60.1 77.4 82 1 C c T < + 0 0 11 -3,-2.0 661,-0.2 1,-0.3 3,-0.1 -0.171 68.0 18.9 -54.0 144.9 -13.3 56.9 77.7 83 2 C G T 3 S+ 0 0 0 659,-2.2 761,-1.2 760,-0.2 2,-0.8 0.404 94.0 114.1 75.8 -2.7 -11.4 53.7 77.2 84 3 C L < - 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