==== 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 3ZFQ . 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) . 8279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 55.4 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 . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.8 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 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 15.7 11.9 8.3 2 22 A E - 0 0 14 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.362 360.0-121.0 -57.7 129.2 12.1 10.5 8.5 3 23 A P - 0 0 9 0, 0.0 76,-0.3 0, 0.0 2,-0.3 -0.226 14.3-130.3 -67.5 164.8 10.5 12.2 11.5 4 24 A L - 0 0 11 74,-0.1 8,-3.0 75,-0.1 9,-0.6 -0.817 18.7-144.9-107.5 157.8 9.1 10.4 14.6 5 25 A Y B -AB 11 77A 5 72,-2.5 72,-2.1 -2,-0.3 6,-0.2 -0.940 8.0-131.3-125.7 144.0 5.6 11.2 16.0 6 26 A D > - 0 0 45 4,-2.6 3,-1.8 -2,-0.3 69,-0.1 -0.290 41.1 -89.0 -86.3 177.7 4.3 11.2 19.6 7 27 A K T 3 S+ 0 0 102 67,-0.4 24,-0.5 1,-0.3 22,-0.1 0.598 126.2 54.1 -68.9 -11.3 1.1 9.5 20.8 8 28 A N T 3 S- 0 0 137 2,-0.2 -1,-0.3 22,-0.1 3,-0.1 0.465 120.2-104.6 -97.7 -3.8 -1.0 12.6 20.0 9 29 A G S < S+ 0 0 41 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.220 75.5 138.0 99.7 -11.1 0.1 12.7 16.4 10 30 A A - 0 0 53 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.512 57.1-120.1 -72.2 129.5 2.4 15.7 16.9 11 31 A V B -A 5 0A 38 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.428 13.2-149.1 -70.9 143.4 5.7 15.3 15.0 12 32 A L S S- 0 0 84 -8,-3.0 2,-0.3 1,-0.2 -7,-0.1 0.662 74.5 -7.2 -94.3 -22.7 8.8 15.4 17.2 13 33 A F S S+ 0 0 73 -9,-0.6 -1,-0.2 2,-0.0 -9,-0.1 -0.932 110.8 22.4-152.9 179.7 11.1 16.9 14.7 14 34 A G S S- 0 0 54 -2,-0.3 -12,-0.1 -3,-0.1 -3,-0.1 -0.150 99.4 -44.0 62.6-151.8 11.2 17.8 11.0 15 35 A E - 0 0 157 -3,-0.0 2,-0.2 -12,-0.0 -3,-0.1 -0.930 59.5-107.9-121.7 142.6 8.0 18.4 9.1 16 36 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.467 30.8-169.3 -79.2 134.1 4.8 16.4 9.2 17 37 A S - 0 0 43 -2,-0.2 2,-0.2 -14,-0.0 62,-0.0 -0.879 20.3-122.4-114.3 151.6 3.7 14.2 6.3 18 38 A D - 0 0 150 -2,-0.3 2,-0.2 1,-0.1 61,-0.0 -0.521 30.8-108.6 -87.3 156.4 0.4 12.4 5.9 19 39 A T - 0 0 27 -2,-0.2 -1,-0.1 1,-0.1 61,-0.1 -0.515 41.3 -89.4 -84.4 158.7 0.1 8.7 5.4 20 40 A H > - 0 0 51 -2,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.335 33.0-126.9 -65.2 143.7 -0.8 7.0 2.1 21 41 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.838 107.5 49.2 -67.2 -33.9 -4.6 6.5 1.7 22 42 A Q T 3 S+ 0 0 95 79,-0.0 2,-0.1 4,-0.0 78,-0.1 0.219 88.3 114.9 -89.4 14.6 -4.3 2.8 0.9 23 43 A S S < S- 0 0 1 -3,-1.3 78,-0.2 2,-0.2 123,-0.1 -0.447 74.5-127.3 -75.4 157.2 -2.1 2.1 3.9 24 44 A T S S+ 0 0 34 76,-2.7 123,-2.0 121,-0.3 2,-0.5 0.658 94.2 83.2 -78.3 -19.0 -3.4 -0.1 6.8 25 45 A L - 0 0 1 75,-0.6 2,-0.4 120,-0.4 -2,-0.2 -0.785 65.3-171.4 -82.1 127.0 -2.4 2.8 9.1 26 46 A K - 0 0 98 -2,-0.5 -2,-0.0 -4,-0.1 -6,-0.0 -0.995 19.8-116.7-124.8 124.1 -5.2 5.4 9.2 27 47 A L S S+ 0 0 63 -2,-0.4 2,-0.1 -8,-0.1 -18,-0.0 -0.777 82.0 42.6-115.5 157.0 -4.7 8.7 10.9 28 48 A P S S+ 0 0 134 0, 0.0 -19,-0.1 0, 0.0 -20,-0.0 0.640 78.8 145.0 -68.3 156.4 -5.7 10.5 13.2 29 49 A H - 0 0 46 -2,-0.1 30,-0.0 -22,-0.1 2,-0.0 -0.896 44.7-118.1-164.1 128.9 -5.9 7.6 15.7 30 50 A P + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.338 40.4 152.8 -69.8 153.6 -5.3 7.3 19.5 31 51 A R + 0 0 18 -24,-0.5 43,-0.1 1,-0.1 41,-0.1 -0.955 29.5 74.6-162.0 170.9 -2.6 5.0 20.9 32 52 A G + 0 0 10 -2,-0.3 3,-0.2 2,-0.3 42,-0.1 0.839 38.8 133.2 88.7 36.4 -0.3 4.5 23.9 33 53 A E S S- 0 0 166 1,-0.4 2,-0.3 40,-0.1 41,-0.1 0.856 89.9 -9.7 -76.3 -39.7 -2.4 3.4 26.9 34 54 A K - 0 0 141 2,-0.0 2,-0.6 39,-0.0 -1,-0.4 -0.976 69.8-114.4-151.8 147.6 0.3 0.8 27.5 35 55 A E - 0 0 103 -2,-0.3 2,-0.5 -3,-0.2 38,-0.3 -0.770 40.9-175.6 -76.3 119.6 3.4 -0.6 25.6 36 56 A V E -C 72 0B 15 36,-2.7 35,-2.7 -2,-0.6 36,-0.7 -0.883 11.9-160.5-128.3 98.7 2.5 -4.2 24.9 37 57 A I E -C 70 0B 96 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.546 17.1-177.4 -69.5 139.1 5.0 -6.5 23.2 38 58 A V E -C 69 0B 10 31,-2.5 31,-0.7 -2,-0.2 2,-0.1 -0.961 24.4-111.8-134.1 159.4 3.5 -9.6 21.5 39 59 A G > - 0 0 40 -2,-0.3 3,-0.9 29,-0.1 29,-0.1 -0.430 33.5-108.1 -81.3 162.8 4.8 -12.6 19.7 40 60 A I G > S+ 0 0 55 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.754 123.3 52.4 -64.1 -26.4 4.4 -13.2 16.0 41 61 A R G 3 S+ 0 0 232 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.721 109.0 51.3 -77.1 -23.9 1.9 -16.0 16.9 42 62 A D G < S+ 0 0 95 -3,-0.9 -1,-0.2 3,-0.0 -2,-0.2 -0.168 74.9 151.9-108.3 38.7 -0.1 -13.6 19.1 43 63 A L < - 0 0 37 -3,-0.6 18,-0.1 1,-0.1 28,-0.1 -0.415 53.4 -92.3 -66.9 144.3 -0.5 -10.7 16.6 44 64 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.033 38.7-138.7 -63.8 165.7 -3.7 -8.7 17.3 45 65 A R - 0 0 196 -3,-0.1 2,-0.5 15,-0.0 3,-0.2 -0.363 25.6 -90.8-109.5-178.6 -7.1 -9.3 15.8 46 66 A K S S+ 0 0 171 1,-0.2 102,-0.0 -2,-0.1 14,-0.0 -0.931 115.6 36.2 -98.1 127.0 -10.0 -7.2 14.4 47 67 A G S > S+ 0 0 50 -2,-0.5 4,-0.9 0, 0.0 3,-0.5 -0.003 92.4 94.4 113.2 -23.0 -12.5 -6.4 17.2 48 68 A D H > + 0 0 25 -3,-0.2 4,-2.5 1,-0.2 10,-0.2 0.674 61.8 84.7 -69.8 -20.1 -9.6 -6.1 19.7 49 69 A a H 4 S+ 0 0 43 1,-0.2 9,-0.4 2,-0.2 -1,-0.2 0.890 100.9 27.4 -52.2 -48.9 -9.5 -2.3 19.1 50 70 A R H 4 S+ 0 0 242 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.870 134.5 29.2 -85.1 -43.2 -12.2 -1.4 21.6 51 71 A T H < S- 0 0 124 -4,-0.9 2,-0.2 1,-0.3 -2,-0.2 0.776 90.4-151.3 -87.6 -30.5 -11.9 -4.3 24.2 52 72 A G < - 0 0 7 -4,-2.5 -1,-0.3 -5,-0.2 2,-0.3 -0.612 23.7-100.8 81.1-153.1 -8.3 -5.1 23.8 53 73 A N B > -G 56 0C 49 3,-1.7 3,-1.2 -2,-0.2 -5,-0.0 -0.862 40.6 -72.5-151.8-175.6 -7.4 -8.7 24.5 54 74 A R T 3 S+ 0 0 245 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.857 129.9 55.3 -53.0 -36.9 -6.0 -10.9 27.3 55 75 A L T 3 S- 0 0 87 1,-0.2 -1,-0.3 -13,-0.1 -18,-0.1 0.729 119.3-102.1 -72.0 -25.9 -2.5 -9.4 26.6 56 76 A G B < -G 53 0C 20 -3,-1.2 -3,-1.7 -20,-0.1 -1,-0.2 -0.900 63.6 -3.2 139.8-163.4 -3.8 -5.8 27.1 57 77 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.079 55.2-150.2 -59.5 164.2 -4.9 -2.7 25.1 58 78 A V + 0 0 12 -9,-0.4 14,-0.2 -10,-0.2 -6,-0.1 -0.970 31.2 162.6-145.3 118.7 -4.7 -2.5 21.3 59 79 A S S S- 0 0 5 12,-2.5 89,-1.4 -2,-0.4 2,-0.4 0.378 70.8 -83.8-108.3 -0.8 -4.1 0.5 19.0 60 80 A G E -D 147 0B 4 11,-1.1 2,-0.4 87,-0.3 87,-0.2 -0.994 69.7 -39.0 138.9-132.6 -3.2 -1.7 16.0 61 81 A L E +D 146 0B 9 85,-2.4 84,-2.6 -2,-0.4 85,-1.7 -0.983 47.1 179.6-141.3 128.3 0.2 -3.2 15.1 62 82 A F E -DE 144 70B 0 8,-2.2 8,-1.8 -2,-0.4 2,-0.3 -0.833 6.7-175.8-118.8 158.0 3.7 -1.7 15.4 63 83 A V E +DE 143 69B 0 80,-1.7 80,-3.1 -2,-0.3 6,-0.2 -0.984 13.4 174.1-154.6 145.1 7.1 -3.3 14.5 64 84 A K E > - E 0 68B 29 4,-1.7 4,-2.2 -2,-0.3 73,-0.1 -0.909 50.6 -73.4-132.6 167.2 10.8 -2.7 14.6 65 85 A P T 4 S+ 0 0 39 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 -0.161 105.5 64.3 -58.9 163.9 13.8 -5.0 13.7 66 86 A G T 4 S- 0 0 69 51,-0.4 2,-0.1 1,-0.2 52,-0.0 -0.387 124.8 -94.5 142.8 -65.9 14.5 -7.8 16.0 67 87 A P T 4 S+ 0 0 45 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.603 73.5 169.8 -80.0 150.5 11.8 -8.5 15.1 68 88 A V E < - E 0 64B 40 -4,-2.2 -4,-1.7 -2,-0.1 2,-0.4 -0.996 13.1-163.9-127.1 121.2 9.8 -7.0 17.9 69 89 A F E -CE 38 63B 9 -31,-0.7 -31,-2.5 -2,-0.4 2,-0.3 -0.869 4.9-172.5-104.7 140.9 6.1 -6.7 17.6 70 90 A Y E -CE 37 62B 8 -8,-1.8 -8,-2.2 -2,-0.4 -33,-0.2 -0.957 21.0-163.6-124.8 150.8 3.8 -4.4 19.7 71 91 A Q E S+ 0 0 0 -35,-2.7 -12,-2.5 1,-0.4 -11,-1.1 0.561 88.9 13.9-105.3 -15.6 -0.0 -4.2 19.9 72 92 A D E S-C 36 0B 3 -36,-0.7 -36,-2.7 -14,-0.2 -1,-0.4 -0.962 70.3-176.6-149.1 153.8 0.1 -0.9 21.6 73 93 A Y - 0 0 19 -2,-0.3 -38,-0.2 -38,-0.3 -41,-0.1 -0.982 14.9-169.4-153.3 139.0 3.0 1.5 22.1 74 94 A S + 0 0 44 -2,-0.3 -67,-0.4 -42,-0.1 3,-0.1 0.778 63.7 71.7-101.2 -37.8 3.3 4.8 23.9 75 95 A G S S- 0 0 23 1,-0.2 2,-0.1 -69,-0.1 -70,-0.1 0.105 98.7 -48.8 -73.2-171.6 6.7 6.3 22.9 76 96 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -70,-0.2 -0.372 61.9 177.0 -62.8 134.2 7.8 7.9 19.5 77 97 A V B -B 5 0A 0 -72,-2.1 -72,-2.5 64,-0.1 2,-0.3 -0.903 29.5-112.0-131.4 163.0 6.9 5.9 16.3 78 98 A Y B -f 143 0B 1 64,-2.7 66,-3.4 -2,-0.3 -74,-0.1 -0.720 12.4-167.3 -88.3 144.4 7.3 6.2 12.6 79 99 A H S S+ 0 0 5 -76,-0.3 23,-0.5 -2,-0.3 2,-0.3 0.461 81.5 37.2 -99.4 -8.5 4.2 6.6 10.4 80 100 A R E S-h 102 0D 30 -77,-0.3 23,-0.3 21,-0.1 -1,-0.2 -0.987 100.1 -90.4-143.2 148.4 6.2 5.9 7.3 81 101 A A E -h 103 0D 0 21,-3.1 2,-2.3 -2,-0.3 23,-1.7 -0.373 33.3-131.7 -62.8 120.7 9.2 3.6 6.5 82 102 A P > - 0 0 4 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.494 28.5-175.5 -71.5 82.9 12.5 5.4 7.2 83 103 A L G > S+ 0 0 31 -2,-2.3 3,-1.0 1,-0.3 -2,-0.1 0.589 75.1 71.7 -63.0 -12.5 13.9 4.3 3.8 84 104 A E G 3 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.777 98.9 50.3 -67.1 -27.3 17.3 5.8 4.7 85 105 A Q G < S+ 0 0 11 -3,-2.7 51,-1.7 51,-0.1 50,-1.6 0.265 101.9 86.7 -89.4 8.5 17.5 2.8 7.1 86 106 A F E < -I 134 0D 10 -3,-1.0 2,-0.3 48,-0.2 48,-0.2 -0.844 55.0-168.9-115.6 149.0 16.6 0.4 4.3 87 107 A K E -I 133 0D 112 46,-2.3 46,-2.7 -2,-0.3 -3,-0.0 -0.995 31.4 -98.2-136.8 141.4 18.8 -1.4 1.7 88 108 A Q E +I 132 0D 152 -2,-0.3 44,-0.2 44,-0.2 42,-0.0 -0.097 49.0 161.7 -54.0 152.6 17.9 -3.4 -1.4 89 109 A A - 0 0 26 42,-1.9 42,-0.1 3,-0.0 3,-0.1 -0.975 42.6 -86.0-167.6 156.0 17.9 -7.2 -1.1 90 110 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.400 60.1 -88.6 -68.5 154.9 16.6 -10.3 -2.8 91 111 A M - 0 0 75 -2,-0.1 2,-0.1 1,-0.1 40,-0.0 -0.459 48.2-148.3 -64.5 132.6 13.0 -11.4 -1.9 92 112 A b - 0 0 23 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.1 -0.340 29.0 -86.9 -90.8 175.2 13.0 -13.7 1.1 93 113 A E - 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