==== 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 3ZFP . 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) . 7888.0 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 . 4 2.7 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 . 9 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 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 RESIDUES PER ALPHA HELIX . 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 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 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 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 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 15.5 11.9 9.4 2 22 A E - 0 0 18 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.535 360.0-107.1 -64.5 133.9 11.9 10.8 9.3 3 23 A P - 0 0 11 0, 0.0 76,-0.4 0, 0.0 2,-0.3 -0.249 21.6-139.3 -60.4 150.2 9.9 12.3 12.1 4 24 A L - 0 0 11 74,-0.1 8,-3.3 75,-0.1 9,-0.5 -0.758 17.5-144.6 -98.7 156.1 8.7 10.6 15.1 5 25 A Y B -AB 11 77A 6 72,-2.6 72,-2.1 -2,-0.3 6,-0.2 -0.942 6.8-131.0-122.6 137.1 5.1 11.3 16.6 6 26 A D > - 0 0 44 4,-2.8 3,-2.4 -2,-0.4 69,-0.1 -0.273 40.0 -92.0 -78.1 171.2 3.9 11.3 20.0 7 27 A K T 3 S+ 0 0 94 67,-0.4 24,-0.5 1,-0.3 68,-0.1 0.670 125.9 56.7 -64.4 -16.1 0.7 9.5 21.2 8 28 A N T 3 S- 0 0 138 2,-0.1 -1,-0.3 22,-0.1 3,-0.1 0.315 122.5-104.5 -95.7 3.9 -1.4 12.5 20.6 9 29 A G S < S+ 0 0 41 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.571 74.6 140.2 93.2 4.0 -0.3 12.6 16.9 10 30 A A - 0 0 47 1,-0.1 -4,-2.8 6,-0.0 -1,-0.3 -0.740 55.9-115.8 -82.5 140.7 2.1 15.6 17.3 11 31 A V B -A 5 0A 40 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.398 15.7-155.9 -73.3 140.1 5.3 15.5 15.5 12 32 A L S S- 0 0 85 -8,-3.3 2,-0.3 1,-0.3 -7,-0.1 0.624 75.6 -6.6 -94.3 -15.6 8.5 15.5 17.8 13 33 A F S S+ 0 0 75 -9,-0.5 -1,-0.3 2,-0.0 -9,-0.1 -0.941 113.9 18.3-165.4 166.0 10.8 17.0 15.3 14 34 A G S S- 0 0 52 -2,-0.3 -12,-0.1 -3,-0.1 -3,-0.1 -0.327 99.2 -45.3 67.4-155.5 10.7 18.0 11.7 15 35 A E - 0 0 152 -3,-0.0 -3,-0.1 -2,-0.0 2,-0.1 -0.903 56.1-108.3-119.8 144.5 7.4 18.5 9.9 16 36 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.367 30.7-165.3 -66.9 150.5 4.2 16.3 9.9 17 37 A S - 0 0 49 -2,-0.1 2,-0.2 -14,-0.0 62,-0.0 -0.960 20.4-116.6-132.4 150.0 3.3 14.3 6.8 18 38 A D - 0 0 152 -2,-0.3 2,-0.2 1,-0.1 88,-0.0 -0.501 30.4-114.3 -76.2 149.8 -0.0 12.7 6.0 19 39 A T - 0 0 30 -2,-0.2 61,-0.1 1,-0.1 -1,-0.1 -0.530 39.8 -92.6 -72.2 156.2 -0.3 8.9 5.7 20 40 A H > - 0 0 36 -2,-0.2 3,-2.2 87,-0.2 5,-0.2 -0.513 35.0-123.5 -67.9 137.0 -1.2 7.4 2.3 21 41 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.742 109.4 52.9 -58.2 -25.7 -4.9 6.9 2.1 22 42 A Q T 3 S+ 0 0 93 79,-0.0 4,-0.1 4,-0.0 2,-0.1 0.334 84.0 115.3 -87.4 -3.8 -4.6 3.2 1.4 23 43 A S S < S- 0 0 2 -3,-2.2 78,-0.2 2,-0.2 123,-0.1 -0.329 75.3-125.9 -63.5 155.1 -2.3 2.5 4.4 24 44 A T S S+ 0 0 28 76,-2.6 123,-2.1 121,-0.3 2,-0.6 0.601 93.0 88.0 -79.3 -6.9 -3.6 0.3 7.1 25 45 A L - 0 0 1 75,-0.5 2,-0.5 121,-0.3 -2,-0.2 -0.887 63.3-169.9 -91.4 122.4 -2.9 3.2 9.6 26 46 A K - 0 0 103 -2,-0.6 -2,-0.0 122,-0.1 120,-0.0 -0.967 21.4-122.3-120.3 113.0 -5.9 5.5 9.7 27 47 A L S S+ 0 0 65 -2,-0.5 2,-0.2 120,-0.0 -8,-0.1 -0.823 80.0 44.2-115.2 152.2 -5.4 8.8 11.5 28 48 A P S S+ 0 0 134 0, 0.0 -19,-0.0 0, 0.0 -20,-0.0 0.566 78.6 143.2 -71.3 153.8 -6.3 10.5 13.8 29 49 A H - 0 0 39 -2,-0.2 2,-0.1 2,-0.0 30,-0.0 -0.906 46.1-117.2-161.5 136.3 -6.5 7.6 16.2 30 50 A P + 0 0 106 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.409 39.1 158.5 -73.9 166.7 -5.8 7.3 19.9 31 51 A R + 0 0 19 -24,-0.5 41,-0.1 -2,-0.1 43,-0.1 -0.973 31.4 72.0-165.9 172.5 -3.1 5.1 21.4 32 52 A G + 0 0 7 2,-0.3 3,-0.1 -2,-0.3 42,-0.1 0.730 36.9 137.0 90.6 33.5 -0.9 4.5 24.4 33 53 A E S S- 0 0 148 1,-0.3 2,-0.3 40,-0.1 41,-0.1 0.911 89.6 -16.8 -65.9 -41.0 -3.0 3.3 27.3 34 54 A K - 0 0 107 39,-0.1 2,-0.6 2,-0.0 -2,-0.3 -0.970 69.3-105.8-156.7 156.0 -0.1 0.9 27.8 35 55 A E - 0 0 96 -2,-0.3 2,-0.5 38,-0.2 38,-0.3 -0.835 43.6-175.9 -82.1 116.3 3.0 -0.5 26.1 36 56 A V E -C 72 0B 12 36,-2.5 35,-2.5 -2,-0.6 36,-0.7 -0.876 10.2-161.1-127.8 106.1 1.9 -4.1 25.2 37 57 A I E -C 70 0B 106 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.577 15.3-177.9 -84.5 136.9 4.5 -6.5 23.6 38 58 A V E -C 69 0B 8 31,-2.2 31,-0.7 -2,-0.3 2,-0.2 -0.952 24.1-116.5-131.7 153.9 3.0 -9.5 21.8 39 59 A G > - 0 0 40 -2,-0.3 3,-2.4 29,-0.1 29,-0.1 -0.521 36.4-103.3 -80.6 162.5 4.5 -12.4 19.9 40 60 A I G > S+ 0 0 54 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.720 122.3 58.4 -56.9 -30.3 3.9 -13.1 16.2 41 61 A R G 3 S+ 0 0 228 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.534 107.1 46.8 -72.3 -10.0 1.5 -15.8 17.2 42 62 A D G < S+ 0 0 85 -3,-2.4 -1,-0.2 13,-0.0 -2,-0.1 -0.229 71.3 156.6-128.5 43.4 -0.7 -13.3 19.2 43 63 A L < - 0 0 36 -3,-0.6 18,-0.1 1,-0.1 28,-0.1 -0.459 49.2-101.6 -66.3 149.5 -1.1 -10.4 16.9 44 64 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.152 29.9-135.8 -72.1 159.9 -4.2 -8.4 17.7 45 65 A R > - 0 0 188 -3,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.834 22.9-112.5-110.6 152.0 -7.5 -8.5 15.8 46 66 A K G > S+ 0 0 174 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.827 116.8 61.9 -43.1 -32.3 -9.9 -5.6 14.7 47 67 A G G 3 S+ 0 0 63 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.496 92.7 65.4 -83.3 -2.6 -12.4 -6.8 17.1 48 68 A D G <> S+ 0 0 21 -3,-2.3 4,-1.9 1,-0.1 10,-0.3 0.531 77.3 89.6 -85.2 -16.6 -10.0 -6.2 20.0 49 69 A a T <4 S+ 0 0 37 -3,-1.4 9,-0.4 -4,-0.3 -2,-0.1 0.919 95.4 29.5 -45.4 -57.4 -10.0 -2.4 19.4 50 70 A R T 4 S+ 0 0 251 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.867 133.4 30.6 -77.9 -36.5 -12.9 -1.3 21.7 51 71 A T T 4 S- 0 0 121 -4,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.562 96.5-141.8 -90.5 -16.7 -12.7 -4.2 24.4 52 72 A G < - 0 0 10 -4,-1.9 -1,-0.3 6,-0.2 2,-0.2 -0.311 27.5-102.1 60.6-163.6 -8.8 -4.8 24.3 53 73 A N B > -G 56 0C 42 3,-2.5 3,-1.4 -4,-0.1 -5,-0.0 -0.695 37.5 -76.5-135.8-170.4 -8.0 -8.4 24.6 54 74 A R T 3 S+ 0 0 224 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.769 129.1 55.2 -65.2 -20.6 -6.7 -10.8 27.3 55 75 A L T 3 S- 0 0 63 1,-0.3 -1,-0.3 -13,-0.1 16,-0.1 0.666 120.6 -90.3 -83.3 -21.2 -3.2 -9.3 26.7 56 76 A G B < -G 53 0C 21 -3,-1.4 -3,-2.5 -20,-0.0 -1,-0.3 -0.871 69.0 -14.4 142.4-167.3 -4.2 -5.7 27.3 57 77 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.221 58.3-147.1 -66.2 158.2 -5.5 -2.6 25.5 58 78 A V + 0 0 13 -9,-0.4 14,-0.2 -10,-0.3 -6,-0.2 -0.999 33.3 159.7-134.2 126.2 -5.2 -2.5 21.7 59 79 A S - 0 0 3 12,-3.2 89,-1.6 -2,-0.4 2,-0.3 0.448 69.5 -82.8-116.7 -8.7 -4.6 0.5 19.4 60 80 A G E -D 147 0B 3 11,-1.6 2,-0.4 87,-0.3 -1,-0.3 -0.989 67.0 -38.0 151.9-138.5 -3.5 -1.6 16.4 61 81 A L E -D 146 0B 8 85,-2.0 84,-1.9 -2,-0.3 85,-1.7 -0.996 45.7-179.3-129.3 127.3 -0.1 -3.2 15.4 62 82 A F E -DE 144 70B 0 8,-2.2 8,-2.0 -2,-0.4 2,-0.3 -0.946 7.1-175.7-120.0 150.7 3.3 -1.7 15.9 63 83 A V E +DE 143 69B 0 80,-2.0 80,-2.8 -2,-0.3 6,-0.2 -0.998 11.1 173.9-147.5 147.6 6.7 -3.3 14.8 64 84 A K E > - E 0 68B 27 4,-1.7 4,-2.1 -2,-0.3 73,-0.1 -0.949 48.2 -73.4-144.2 163.6 10.4 -2.7 15.0 65 85 A P T 4 S+ 0 0 36 0, 0.0 53,-0.1 0, 0.0 70,-0.1 -0.303 109.0 56.0 -55.3 151.1 13.5 -4.7 14.0 66 86 A G T 4 S- 0 0 68 51,-0.5 2,-0.1 1,-0.1 52,-0.1 -0.294 125.7 -94.5 151.3 -59.4 14.2 -7.6 16.2 67 87 A P T 4 S+ 0 0 46 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.637 71.2 167.3 -83.3 151.4 11.4 -8.3 15.5 68 88 A V E < - E 0 64B 39 -4,-2.1 -4,-1.7 -2,-0.1 2,-0.3 -0.999 14.1-164.3-125.1 130.0 9.4 -6.8 18.3 69 89 A F E -CE 38 63B 8 -31,-0.7 -31,-2.2 -2,-0.4 2,-0.3 -0.858 4.9-172.2-112.9 144.4 5.5 -6.5 17.9 70 90 A Y E -CE 37 62B 6 -8,-2.0 -8,-2.2 -2,-0.3 -33,-0.2 -0.985 25.2-162.2-133.5 148.6 3.2 -4.4 20.0 71 91 A Q E S+ 0 0 0 -35,-2.5 -12,-3.2 1,-0.3 -11,-1.6 0.546 91.3 14.1-102.2 -12.4 -0.7 -4.1 20.2 72 92 A D E -C 36 0B 4 -36,-0.7 -36,-2.5 -14,-0.2 -1,-0.3 -0.944 67.8-176.4-152.1 158.6 -0.3 -0.7 22.0 73 93 A Y - 0 0 19 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.1 -0.966 12.6-169.3-157.0 140.7 2.6 1.6 22.4 74 94 A S + 0 0 40 -2,-0.3 -67,-0.4 -42,-0.1 3,-0.1 0.638 64.1 69.4-110.4 -24.7 2.9 4.9 24.4 75 95 A G S S- 0 0 22 1,-0.2 -70,-0.1 -69,-0.1 -2,-0.1 -0.044 99.0 -43.6 -88.0-161.6 6.2 6.4 23.3 76 96 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.289 62.8-179.8 -65.6 139.4 7.4 7.9 20.0 77 97 A V B -B 5 0A 0 -72,-2.1 -72,-2.6 64,-0.2 2,-0.4 -0.942 28.6-112.8-137.2 157.9 6.5 6.1 16.8 78 98 A Y B -f 143 0B 0 64,-2.9 66,-2.8 -2,-0.3 -74,-0.1 -0.796 13.8-170.6 -82.4 136.6 6.9 6.3 13.1 79 99 A H S S+ 0 0 9 -76,-0.4 23,-0.4 -2,-0.4 2,-0.3 0.488 81.7 35.8 -92.4 -11.7 3.8 7.0 11.0 80 100 A R S S- 0 0 28 -77,-0.3 23,-0.3 21,-0.1 -1,-0.1 -0.980 98.8 -95.7-138.4 145.7 5.9 6.2 7.9 81 101 A A B -h 103 0D 0 21,-2.6 23,-1.9 -2,-0.3 2,-1.6 -0.494 36.2-129.4 -63.4 125.2 8.6 3.7 7.2 82 102 A P > - 0 0 4 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.681 28.5-174.5 -80.2 83.5 12.0 5.6 7.7 83 103 A L G > S+ 0 0 28 -2,-1.6 3,-1.4 1,-0.3 -2,-0.0 0.664 72.8 73.2 -63.7 -17.8 13.4 4.4 4.3 84 104 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.789 100.8 48.4 -61.9 -18.2 16.8 6.0 5.0 85 105 A Q G < S+ 0 0 18 -3,-2.6 51,-2.3 51,-0.1 50,-1.7 0.273 101.2 80.9-108.5 8.8 17.2 3.1 7.4 86 106 A F E < -I 134 0E 9 -3,-1.4 2,-0.4 48,-0.2 48,-0.2 -0.713 64.0-150.7-102.6 168.0 16.1 0.4 5.0 87 107 A K E -I 133 0E 97 46,-2.0 46,-2.5 -2,-0.3 -3,-0.0 -0.999 28.5-100.7-143.2 136.8 18.2 -1.2 2.2 88 108 A Q E +I 132 0E 160 -2,-0.4 44,-0.3 44,-0.2 42,-0.0 -0.282 54.2 165.0 -59.5 134.0 17.2 -2.7 -1.1 89 109 A A - 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