==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-12 3ZFT . COMPND 2 MOLECULE: N-TERMINAL PROTEASE NPRO; . SOURCE 2 ORGANISM_SCIENTIFIC: PESTIVIRUS STRAIN D32/00_HOBI; . AUTHOR T.ZOGG,M.SPONRING,S.SCHINDLER,M.KOLL,R.SCHNEIDER,H.BRANDSTET . 148 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 4 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 21 A M 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 15.4 11.8 9.0 2 22 A E - 0 0 17 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.409 360.0-115.6 -61.5 131.7 11.8 10.6 9.0 3 23 A P - 0 0 10 0, 0.0 76,-0.4 0, 0.0 2,-0.3 -0.222 17.2-133.1 -67.5 157.1 10.0 12.2 12.0 4 24 A L - 0 0 11 74,-0.1 8,-3.4 9,-0.1 9,-0.6 -0.806 16.5-144.3 -99.8 155.2 8.5 10.5 15.1 5 25 A Y B -AB 11 77A 5 72,-2.6 72,-2.1 -2,-0.3 6,-0.2 -0.917 7.6-134.6-121.3 142.8 5.0 11.3 16.4 6 26 A D > - 0 0 44 4,-2.3 3,-2.1 -2,-0.3 69,-0.1 -0.334 39.8 -93.5 -87.7 174.3 3.8 11.4 20.0 7 27 A K T 3 S+ 0 0 98 67,-0.5 24,-0.4 1,-0.3 68,-0.1 0.548 126.6 60.6 -74.3 -4.8 0.6 9.7 21.1 8 28 A N T 3 S- 0 0 153 2,-0.2 -1,-0.3 22,-0.1 0, 0.0 0.330 119.8-112.0 -93.4 5.2 -1.3 13.1 20.6 9 29 A G S < S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.576 71.1 138.9 82.4 10.2 -0.2 12.8 16.9 10 30 A A - 0 0 48 1,-0.1 -4,-2.3 6,-0.0 -1,-0.3 -0.705 59.6-109.7 -88.4 143.4 2.2 15.8 17.0 11 31 A V B -A 5 0A 39 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.465 18.9-154.4 -71.9 132.6 5.5 15.6 15.1 12 32 A L S S- 0 0 84 -8,-3.4 2,-0.3 1,-0.2 -1,-0.1 0.642 76.8 -4.6 -86.8 -17.7 8.4 15.4 17.6 13 33 A F S S+ 0 0 71 -9,-0.6 -1,-0.2 2,-0.0 -9,-0.1 -0.960 113.6 15.3-160.3 169.1 10.8 16.9 15.1 14 34 A G S S- 0 0 62 -2,-0.3 -3,-0.1 -3,-0.1 -12,-0.1 -0.270 100.6 -41.7 64.9-151.8 10.8 18.0 11.4 15 35 A E - 0 0 165 -3,-0.0 2,-0.1 1,-0.0 -3,-0.1 -0.878 58.5-114.0-116.4 145.0 7.6 18.5 9.6 16 36 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.390 28.2-166.5 -79.6 155.4 4.5 16.3 9.7 17 37 A S - 0 0 44 -2,-0.1 2,-0.2 -14,-0.0 62,-0.0 -0.939 19.8-115.8-137.1 155.0 3.2 14.3 6.7 18 38 A D - 0 0 149 -2,-0.3 2,-0.2 1,-0.1 88,-0.0 -0.536 32.1-111.6 -89.1 157.1 0.0 12.4 6.0 19 39 A T - 0 0 27 -2,-0.2 61,-0.1 1,-0.1 -1,-0.1 -0.543 41.9 -88.9 -81.2 157.8 -0.2 8.6 5.5 20 40 A H > - 0 0 57 -2,-0.2 3,-2.1 87,-0.2 5,-0.2 -0.451 36.9-125.3 -64.6 133.7 -1.0 7.1 2.1 21 41 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.799 111.3 50.6 -54.0 -33.8 -4.9 6.8 1.9 22 42 A Q T 3 S+ 0 0 115 79,-0.0 -2,-0.1 2,-0.0 4,-0.1 0.432 85.9 116.4 -84.5 -1.7 -4.6 3.1 1.2 23 43 A S S < S- 0 0 1 -3,-2.1 78,-0.2 2,-0.2 123,-0.1 -0.352 74.6-126.7 -58.6 148.2 -2.3 2.4 4.2 24 44 A T S S+ 0 0 27 76,-2.3 123,-1.8 121,-0.2 2,-0.6 0.539 93.0 89.2 -72.6 -9.7 -3.7 0.2 7.0 25 45 A L - 0 0 1 75,-0.6 2,-0.6 121,-0.3 -2,-0.2 -0.846 63.9-168.5 -87.9 120.3 -2.8 3.1 9.3 26 46 A K - 0 0 103 -2,-0.6 -2,-0.0 -4,-0.1 120,-0.0 -0.948 20.9-125.0-112.7 114.2 -5.9 5.4 9.5 27 47 A L S S+ 0 0 64 -2,-0.6 2,-0.1 -8,-0.0 -8,-0.1 -0.816 79.2 45.5-113.7 155.0 -5.3 8.8 11.3 28 48 A P S S+ 0 0 133 0, 0.0 -19,-0.0 0, 0.0 -2,-0.0 0.503 80.2 144.6 -71.7 153.1 -6.2 10.6 13.5 29 49 A H - 0 0 46 -2,-0.1 2,-0.1 -22,-0.1 30,-0.0 -0.968 45.0-116.4-160.0 137.2 -6.4 7.7 16.0 30 50 A P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.333 40.1 152.0 -74.6 161.2 -5.8 7.3 19.7 31 51 A R + 0 0 20 -24,-0.4 41,-0.1 41,-0.1 43,-0.1 -0.950 31.1 74.1-172.6 162.4 -3.1 5.1 21.2 32 52 A G + 0 0 6 2,-0.3 3,-0.2 -2,-0.3 42,-0.1 0.713 39.3 134.9 96.7 25.0 -0.9 4.7 24.2 33 53 A E S S- 0 0 147 1,-0.3 2,-0.3 40,-0.1 41,-0.1 0.945 90.7 -15.2 -58.6 -48.2 -3.1 3.5 27.1 34 54 A K - 0 0 119 2,-0.0 2,-0.7 23,-0.0 -2,-0.3 -0.978 69.3-111.3-148.3 155.4 -0.3 1.0 27.7 35 55 A E - 0 0 104 -2,-0.3 2,-0.5 38,-0.2 38,-0.3 -0.855 42.0-175.4 -84.7 121.1 2.7 -0.4 25.9 36 56 A V E -C 72 0B 13 36,-2.4 35,-2.5 -2,-0.7 36,-0.9 -0.915 11.8-157.2-127.6 104.1 1.7 -4.0 25.2 37 57 A I E -C 70 0B 100 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.555 15.9-174.8 -75.9 142.0 4.2 -6.4 23.6 38 58 A V E -C 69 0B 8 31,-2.6 31,-0.8 -2,-0.2 2,-0.2 -0.950 24.3-115.1-134.1 155.4 2.8 -9.4 21.8 39 59 A G > - 0 0 44 -2,-0.3 3,-2.6 29,-0.1 29,-0.1 -0.560 32.8-111.8 -83.8 156.9 4.2 -12.4 20.1 40 60 A I G > S+ 0 0 52 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.740 121.1 59.6 -61.8 -22.6 3.8 -12.9 16.4 41 61 A R G 3 S+ 0 0 229 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.547 108.6 45.9 -77.7 -11.0 1.5 -15.8 17.3 42 62 A D G < S+ 0 0 94 -3,-2.6 -1,-0.2 2,-0.0 -2,-0.2 -0.241 73.0 158.0-125.8 43.9 -0.7 -13.4 19.1 43 63 A L < - 0 0 36 -3,-0.7 18,-0.1 1,-0.1 28,-0.1 -0.502 46.4-107.7 -67.7 137.2 -1.1 -10.5 16.8 44 64 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.050 28.4-129.6 -64.4 174.2 -4.2 -8.5 17.7 45 65 A R > - 0 0 187 1,-0.1 3,-2.1 15,-0.0 4,-0.2 -0.859 22.9-107.2-125.5 160.7 -7.5 -8.4 15.7 46 66 A K T > S+ 0 0 185 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.868 116.2 55.1 -49.6 -46.2 -9.8 -5.6 14.5 47 67 A G T 3> S+ 0 0 63 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.387 90.1 75.4 -77.6 2.1 -12.5 -6.3 17.1 48 68 A D H <> S+ 0 0 20 -3,-2.1 4,-2.3 1,-0.1 10,-0.3 0.532 71.8 93.2 -79.2 -9.8 -10.0 -5.9 19.9 49 69 A a H <4 S+ 0 0 44 -3,-1.6 9,-0.4 -4,-0.2 -1,-0.1 0.892 95.2 23.6 -57.1 -51.5 -10.1 -2.1 19.4 50 70 A R H 4 S+ 0 0 245 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.916 133.4 34.1 -83.3 -47.6 -12.9 -1.1 21.9 51 71 A T H < S- 0 0 125 -4,-0.5 2,-0.2 1,-0.2 -2,-0.2 0.799 93.8-144.5 -76.0 -29.8 -12.8 -4.0 24.4 52 72 A G < - 0 0 9 -4,-2.3 -1,-0.2 6,-0.1 2,-0.2 -0.517 23.8-102.9 82.0-168.0 -9.0 -4.8 24.3 53 73 A N B > -G 56 0C 46 3,-2.4 3,-1.4 -2,-0.2 -5,-0.0 -0.764 40.9 -71.9-134.7-170.7 -8.1 -8.4 24.6 54 74 A R T 3 S+ 0 0 244 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.841 130.8 51.9 -46.9 -39.6 -6.8 -10.8 27.2 55 75 A L T 3 S- 0 0 85 1,-0.2 -1,-0.2 -19,-0.0 -18,-0.1 0.597 119.7 -97.1 -83.2 -12.6 -3.3 -9.1 26.9 56 76 A G B < -G 53 0C 22 -3,-1.4 -3,-2.4 -20,-0.1 -1,-0.2 -0.890 68.5 -3.1 133.6-162.6 -4.6 -5.5 27.4 57 77 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.269 56.0-150.0 -67.7 156.6 -5.6 -2.5 25.4 58 78 A V + 0 0 13 -9,-0.4 14,-0.2 -10,-0.3 -6,-0.1 -0.983 32.3 159.9-136.2 117.3 -5.3 -2.4 21.6 59 79 A S S S- 0 0 4 12,-2.7 89,-1.5 -2,-0.4 2,-0.3 0.496 70.7 -86.2-106.1 -10.7 -4.7 0.6 19.3 60 80 A G E -D 147 0B 3 11,-1.5 2,-0.4 87,-0.3 -1,-0.2 -0.987 67.0 -34.9 147.1-132.4 -3.6 -1.6 16.4 61 81 A L E +D 146 0B 11 85,-2.2 84,-2.1 -2,-0.3 85,-1.5 -0.998 46.2 179.7-134.8 131.3 -0.2 -3.2 15.4 62 82 A F E -DE 144 70B 0 8,-2.2 8,-2.1 -2,-0.4 2,-0.3 -0.952 7.6-175.5-126.2 149.1 3.2 -1.7 15.8 63 83 A V E +DE 143 69B 0 80,-2.0 80,-2.8 -2,-0.3 6,-0.2 -0.998 11.3 173.5-147.8 146.3 6.5 -3.3 14.8 64 84 A K E > - E 0 68B 26 4,-1.7 4,-2.1 -2,-0.3 73,-0.1 -0.934 48.6 -72.5-139.3 165.4 10.3 -2.7 15.1 65 85 A P T 4 S+ 0 0 37 0, 0.0 53,-0.1 0, 0.0 70,-0.1 -0.210 107.4 58.5 -60.1 155.3 13.3 -4.8 14.2 66 86 A G T 4 S- 0 0 69 51,-0.5 2,-0.1 1,-0.2 52,-0.1 -0.324 125.9 -93.1 147.9 -59.6 14.1 -7.7 16.4 67 87 A P T 4 S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.631 73.6 167.4 -85.2 150.1 11.2 -8.4 15.5 68 88 A V E < - E 0 64B 39 -4,-2.1 -4,-1.7 -2,-0.1 2,-0.3 -0.997 13.4-165.0-126.9 127.7 9.1 -6.9 18.3 69 89 A F E -CE 38 63B 7 -31,-0.8 -31,-2.6 -2,-0.4 2,-0.3 -0.865 4.3-172.5-113.2 145.8 5.4 -6.5 18.0 70 90 A Y E -CE 37 62B 6 -8,-2.1 -8,-2.2 -2,-0.3 -33,-0.2 -0.973 23.8-159.9-132.3 148.9 3.0 -4.4 20.1 71 91 A Q E S+ 0 0 0 -35,-2.5 -12,-2.7 -2,-0.3 -11,-1.5 0.580 90.3 15.3 -99.7 -16.5 -0.8 -4.0 20.2 72 92 A D E -C 36 0B 4 -36,-0.9 -36,-2.4 -14,-0.2 -1,-0.3 -0.989 67.4-177.2-149.6 158.3 -0.5 -0.7 21.9 73 93 A Y - 0 0 20 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.1 -0.974 15.1-171.4-158.1 137.9 2.4 1.7 22.4 74 94 A S + 0 0 37 -2,-0.3 -67,-0.5 -42,-0.1 3,-0.1 0.695 63.8 75.5-105.7 -26.5 2.7 5.1 24.2 75 95 A G S S- 0 0 24 1,-0.2 -70,-0.1 -69,-0.1 -2,-0.1 -0.076 98.7 -50.5 -81.7-174.1 6.1 6.4 23.2 76 96 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -70,-0.2 -0.222 62.6-177.3 -55.6 141.7 7.2 8.0 19.9 77 97 A V B -B 5 0A 0 -72,-2.1 -72,-2.6 64,-0.1 2,-0.3 -0.954 26.7-115.2-135.7 160.3 6.3 6.1 16.7 78 98 A Y B -f 143 0B 1 64,-2.6 66,-2.7 -2,-0.3 -74,-0.1 -0.757 13.3-169.8 -87.0 141.0 6.8 6.2 13.0 79 99 A H S S+ 0 0 9 -76,-0.4 23,-0.5 -2,-0.3 2,-0.3 0.459 81.6 37.8 -99.1 -12.3 3.7 6.7 10.8 80 100 A R E S-h 102 0D 32 -77,-0.3 23,-0.3 21,-0.1 -1,-0.2 -0.979 99.1 -96.5-137.3 147.1 5.9 6.0 7.7 81 101 A A E -h 103 0D 0 21,-2.6 23,-1.9 -2,-0.3 2,-1.8 -0.463 35.0-129.4 -60.6 122.1 8.7 3.6 7.1 82 102 A P > - 0 0 5 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.589 28.2-174.1 -81.0 86.2 12.0 5.4 7.6 83 103 A L G > S+ 0 0 29 -2,-1.8 3,-1.9 1,-0.3 -2,-0.0 0.687 74.6 71.9 -62.3 -23.1 13.6 4.2 4.3 84 104 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.751 101.3 49.3 -60.0 -22.3 17.0 5.8 5.1 85 105 A Q G < S+ 0 0 19 -3,-2.4 51,-2.3 51,-0.1 50,-1.6 0.273 101.0 80.1-100.7 9.3 17.2 2.9 7.6 86 106 A F E < -I 134 0D 8 -3,-1.9 2,-0.3 48,-0.2 48,-0.2 -0.748 63.5-156.5-106.0 162.0 16.2 0.3 5.1 87 107 A K E -I 133 0D 132 46,-1.7 46,-2.8 -2,-0.3 -2,-0.0 -0.990 28.2 -94.5-139.2 148.1 18.4 -1.4 2.5 88 108 A Q E +I 132 0D 155 -2,-0.3 44,-0.3 44,-0.2 42,-0.0 -0.248 54.3 154.5 -59.1 142.5 17.8 -3.1 -0.8 89 109 A A - 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