==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 19-SEP-12 4H6S . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,Z.CHEN,F.ZAPATA,L.A.PELC,E.DI CERA . 282 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.7 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 . 74 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 3 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 . 1 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.6 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 0 0 1 2 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 4 1 3 3 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 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 1CA E > 0 0 127 0, 0.0 3,-1.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 159.0 -24.3 12.4 -3.3 2 1BA A T 3 + 0 0 85 1,-0.2 2,-0.8 0, 0.0 64,-0.0 0.939 360.0 38.0 -42.3 -65.1 -27.8 13.4 -2.5 3 1AA D T > S+ 0 0 56 2,-0.0 3,-0.6 3,-0.0 -1,-0.2 -0.276 84.0 147.1 -95.0 45.2 -27.4 17.1 -3.4 4 1 A a T < + 0 0 15 -3,-1.1 146,-0.2 -2,-0.8 3,-0.1 -0.397 56.5 20.0 -81.9 158.7 -25.2 17.0 -6.5 5 2 A G T 3 S+ 0 0 0 144,-2.3 239,-1.6 238,-0.2 2,-0.5 0.506 90.3 113.6 70.1 7.2 -25.2 19.4 -9.5 6 3 A L < - 0 0 32 -3,-0.6 -1,-0.1 143,-0.3 237,-0.1 -0.963 57.6-146.3-113.2 117.0 -27.0 22.2 -7.7 7 4 A R > > - 0 0 0 -2,-0.5 5,-2.0 1,-0.1 3,-1.4 -0.737 6.5-146.7 -88.4 120.4 -24.9 25.4 -7.2 8 5 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.814 102.1 46.9 -51.2 -34.5 -25.7 27.3 -3.9 9 6 A L T 3 5S+ 0 0 27 136,-0.4 34,-0.1 33,-0.3 6,-0.1 0.565 128.1 18.1 -88.4 -8.5 -25.0 30.5 -5.8 10 7 A F T X >S+ 0 0 11 -3,-1.4 5,-2.4 32,-0.2 3,-0.5 0.565 126.9 28.2-122.8 -85.8 -27.0 29.8 -8.9 11 8 A E G > 5S+ 0 0 27 1,-0.2 3,-0.7 3,-0.2 -5,-0.1 0.843 124.9 49.8 -47.8 -43.1 -29.7 27.1 -9.1 12 9 A K G 3 S+ 0 0 47 2,-0.1 3,-1.2 1,-0.1 4,-0.5 0.414 87.6 99.9-134.9 -3.3 -23.7 31.4 -20.4 20 14CA E T >> S+ 0 0 15 -3,-0.3 4,-1.5 1,-0.2 3,-1.0 0.787 75.9 67.7 -62.8 -29.4 -25.8 28.4 -19.3 21 14DA R H 3> S+ 0 0 120 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.814 88.7 66.5 -63.2 -21.7 -28.8 29.3 -21.5 22 14EA A H <> S+ 0 0 24 -3,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.829 101.7 48.9 -66.0 -31.2 -26.6 28.5 -24.6 23 14FA L H X> S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.5 3,-0.6 0.976 110.7 47.8 -68.8 -60.9 -26.6 24.9 -23.4 24 14GA L H >X S+ 0 0 68 -4,-1.5 3,-1.2 1,-0.3 4,-0.8 0.945 112.2 51.1 -40.0 -61.8 -30.4 24.7 -22.9 25 14HA E H >< S+ 0 0 111 -4,-2.9 3,-0.6 1,-0.3 -1,-0.3 0.812 108.9 51.3 -46.9 -38.2 -30.9 26.3 -26.3 26 14IA S H X< S+ 0 0 13 -4,-1.1 3,-0.8 -3,-0.6 -1,-0.3 0.787 102.1 60.3 -76.5 -28.1 -28.6 23.7 -27.9 27 14JA Y H << S+ 0 0 16 -4,-1.7 3,-0.3 -3,-1.2 -1,-0.2 0.606 104.4 49.7 -71.1 -16.6 -30.5 20.8 -26.3 28 14KA I T << S+ 0 0 136 -4,-0.8 3,-0.3 -3,-0.6 -1,-0.2 0.454 93.7 76.5-101.5 2.1 -33.7 21.7 -28.1 29 14LA A S < S+ 0 0 77 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.412 70.7 88.6 -93.2 2.1 -32.1 22.0 -31.5 30 14MA G 0 0 45 -3,-0.3 -1,-0.2 1,-0.2 134,-0.1 0.059 360.0 360.0 -97.3 23.8 -31.8 18.3 -32.3 31 15 A R 0 0 317 -3,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.650 360.0 360.0 -96.1 360.0 -35.1 17.2 -33.9 32 !* 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 33 16 B I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.6 -8.8 26.9 -22.0 34 17 B V B +A 224 0A 16 190,-2.8 190,-1.1 1,-0.2 143,-0.1 -0.756 360.0 1.4 -91.3 138.9 -8.5 28.7 -25.4 35 18 B A S S+ 0 0 63 141,-0.5 -1,-0.2 -2,-0.3 187,-0.2 0.763 101.9 122.4 54.1 32.7 -11.1 31.3 -26.4 36 19 B G - 0 0 29 -3,-0.4 2,-0.3 140,-0.1 152,-0.2 -0.154 51.7-123.4 -98.7-158.9 -13.0 31.1 -23.1 37 20 B S E -B 187 0B 69 150,-2.0 150,-2.0 -3,-0.1 2,-0.2 -0.894 34.5 -71.5-142.5 171.8 -13.9 33.6 -20.4 38 21 B D E -B 186 0B 108 -2,-0.3 148,-0.2 148,-0.2 2,-0.2 -0.472 52.5-122.1 -64.1 132.6 -13.5 34.4 -16.6 39 22 B A - 0 0 5 146,-3.1 2,-0.1 59,-0.2 146,-0.1 -0.531 24.9-121.7 -69.3 141.6 -15.7 32.1 -14.5 40 23 B E > - 0 0 54 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.517 45.4 -75.9 -78.2 159.9 -18.2 33.9 -12.3 41 24 B I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.330 118.1 5.0 -57.0 129.5 -18.0 33.2 -8.5 42 25 B G T 3 S+ 0 0 12 54,-0.1 -33,-0.3 104,-0.1 -1,-0.3 0.586 91.1 124.7 73.2 11.0 -19.5 29.8 -7.6 43 26 B M S < S+ 0 0 8 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.814 84.8 23.3 -69.9 -31.3 -20.0 28.9 -11.3 44 27 B S > + 0 0 12 -4,-0.3 3,-2.9 1,-0.1 -1,-0.2 -0.386 67.9 162.3-134.5 58.4 -18.0 25.7 -11.0 45 28 B P T 3 S+ 0 0 5 0, 0.0 103,-1.3 0, 0.0 51,-0.3 0.624 75.6 62.9 -61.2 -12.6 -18.1 24.7 -7.3 46 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.5 103,-0.1 104,-0.2 0.426 77.3 125.5 -83.9 -2.1 -17.0 21.1 -8.2 47 30 B Q E < -J 63 0C 5 -3,-2.9 49,-0.9 16,-0.2 2,-0.4 -0.360 39.1-174.0 -68.5 133.4 -13.8 22.4 -9.6 48 31 B V E -JK 62 95C 1 14,-2.0 14,-1.2 47,-0.2 2,-0.5 -0.997 16.5-148.1-132.2 134.2 -10.6 20.8 -8.2 49 32 B M E -JK 61 94C 2 45,-2.5 45,-2.0 -2,-0.4 2,-0.5 -0.858 13.1-149.9 -98.8 131.4 -6.9 21.7 -8.8 50 33 B L E -JK 60 93C 0 10,-2.9 9,-3.0 -2,-0.5 10,-1.3 -0.901 19.6-172.9-105.9 124.7 -4.5 18.8 -8.6 51 34 B F E -JK 58 92C 20 41,-3.6 41,-2.1 -2,-0.5 2,-0.4 -0.842 27.1-127.6-115.4 146.2 -1.0 19.6 -7.4 52 35 B R E > -JK 57 91C 73 5,-2.9 5,-1.3 -2,-0.3 39,-0.2 -0.806 24.7-142.0 -83.6 140.2 2.3 17.9 -7.1 53 36 B K E 5S+J 56 0C 62 37,-3.0 3,-0.4 -2,-0.4 -1,-0.1 0.908 75.7 49.1 -67.9 -50.7 3.6 18.2 -3.5 54 36AB S T 5S+ 0 0 102 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.931 124.7 16.2-151.3 116.5 7.3 18.7 -3.9 55 37 B P T 5S- 0 0 92 0, 0.0 -1,-0.5 0, 0.0 2,-0.1 0.642 108.1-129.5 -60.1 143.3 8.3 20.7 -5.9 56 38 B Q E 5 +J 53 0C 107 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.455 43.2 154.2 -67.1 134.3 4.8 22.1 -5.7 57 39 B E E < -J 52 0C 80 -5,-1.3 -5,-2.9 -2,-0.1 2,-0.4 -0.915 48.4-110.5-161.1 137.4 3.3 22.6 -9.2 58 40 B L E +J 51 0C 57 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.598 39.3 173.3 -71.5 122.1 -0.2 22.6 -10.6 59 41 B L E - 0 0 25 -9,-3.0 2,-0.3 -2,-0.4 -8,-0.2 0.886 49.7 -26.8 -95.2 -48.3 -0.6 19.5 -12.7 60 42 B b E -J 50 0C 12 -10,-1.3 -10,-2.9 169,-0.1 -1,-0.3 -0.932 57.8 -96.1-163.1 163.6 -4.1 19.1 -13.9 61 43 B G E +J 49 0C 8 169,-2.1 12,-0.4 -2,-0.3 2,-0.3 -0.389 38.2 170.9 -85.4 175.8 -7.8 19.9 -13.2 62 44 B A E -J 48 0C 0 -14,-1.2 -14,-2.0 -2,-0.1 2,-0.3 -0.931 23.3-120.1-169.8 176.9 -10.2 17.5 -11.6 63 45 B S E -JL 47 71C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.991 15.4-124.8-138.7 147.9 -13.8 17.4 -10.2 64 46 B L E + L 0 70C 0 -18,-2.5 86,-2.3 -2,-0.3 6,-0.2 -0.791 27.7 172.5 -91.0 125.2 -15.4 16.8 -6.8 65 47 B I - 0 0 9 4,-2.4 2,-0.3 -2,-0.5 5,-0.1 0.539 67.3 -6.8-113.2 -9.0 -18.1 14.1 -7.0 66 48 B S S S- 0 0 17 3,-1.0 3,-0.2 85,-0.1 -1,-0.2 -0.907 91.6 -78.3-161.6-177.9 -18.9 13.6 -3.3 67 49 B D S S+ 0 0 40 -2,-0.3 74,-2.5 1,-0.2 3,-0.0 0.688 130.8 26.8 -64.0 -10.9 -17.5 14.9 -0.0 68 50 B R S S+ 0 0 60 72,-0.2 69,-2.1 1,-0.1 2,-0.4 0.441 104.5 75.7-133.3 -4.5 -14.7 12.3 -0.5 69 51 B W E - M 0 136C 5 -3,-0.2 -4,-2.4 67,-0.2 -3,-1.0 -0.944 48.2-170.6-120.3 136.1 -14.1 11.4 -4.1 70 52 B V E -LM 64 135C 0 65,-2.3 65,-2.5 -2,-0.4 2,-0.3 -0.995 12.2-150.6-124.6 133.6 -12.3 13.4 -6.8 71 53 B L E +LM 63 134C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.3 -0.735 27.5 145.4-103.5 149.7 -12.3 12.4 -10.4 72 54 B T E - M 0 133C 0 61,-1.9 61,-2.2 -2,-0.3 2,-0.4 -0.931 49.4 -68.0-164.2-175.4 -9.6 13.2 -12.9 73 55 B A > - 0 0 0 -12,-0.4 3,-1.0 -2,-0.3 59,-0.3 -0.733 34.1-135.9 -90.1 139.6 -7.7 11.9 -16.0 74 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-2.0 0.848 102.0 63.7 -58.8 -39.0 -5.4 8.9 -15.6 75 57 B H G 34 S+ 0 0 38 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.705 89.9 69.6 -65.3 -14.6 -2.6 10.5 -17.6 76 58 B b G <4 S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.717 117.1 20.3 -68.8 -22.4 -2.3 13.2 -14.9 77 59 B L T <4 S+ 0 0 0 -3,-2.0 9,-3.3 1,-0.3 2,-0.5 0.703 127.6 42.5-115.3 -39.1 -0.9 10.6 -12.5 78 60 B L E < +P 85 0D 40 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.958 52.5 139.9-128.1 115.1 0.4 7.8 -14.6 79 60AB Y E > > -P 84 0D 52 5,-2.4 5,-2.1 -2,-0.5 3,-1.6 -0.631 24.1-170.2-152.5 89.0 2.3 8.2 -17.8 80 60BB P G > 5S+ 0 0 45 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.845 80.9 66.5 -53.9 -45.2 5.2 5.7 -18.1 81 60CB P G 3 5S+ 0 0 57 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.798 112.3 36.9 -51.0 -25.6 7.0 7.3 -21.2 82 60DB W G < 5S- 0 0 180 -3,-1.6 3,-0.1 2,-0.1 0, 0.0 0.220 116.0-114.4-105.5 12.8 7.7 10.3 -18.9 83 60EB D T < 5 + 0 0 153 -3,-3.0 2,-0.6 1,-0.2 -5,-0.0 0.843 63.1 157.0 54.4 36.7 8.4 8.1 -15.8 84 60FB K E < +P 79 0D 48 -5,-2.1 -5,-2.4 1,-0.1 -1,-0.2 -0.841 8.9 150.4 -95.8 120.4 5.3 9.7 -14.2 85 60GB N E -P 78 0D 106 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.522 21.6-174.8-148.1 71.6 3.8 7.5 -11.5 86 60HB F - 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