==== 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 3ZFN . 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) . 8207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 54.7 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 . 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 . 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 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.6 15.5 12.1 9.2 2 22 A E - 0 0 16 1,-0.1 12,-0.1 12,-0.1 102,-0.0 -0.530 360.0-111.4 -62.4 126.1 11.9 10.9 9.1 3 23 A P - 0 0 9 0, 0.0 76,-0.4 0, 0.0 2,-0.3 -0.195 20.4-137.7 -57.2 151.3 10.0 12.5 12.0 4 24 A L - 0 0 12 74,-0.1 8,-3.2 9,-0.1 9,-0.6 -0.797 16.5-143.1 -99.1 157.6 8.6 10.7 15.0 5 25 A Y B -AB 11 77A 6 72,-2.8 72,-2.1 -2,-0.3 6,-0.2 -0.943 7.5-129.5-124.2 141.9 5.2 11.4 16.4 6 26 A D > - 0 0 47 4,-2.7 3,-2.3 -2,-0.4 69,-0.1 -0.252 42.1 -91.8 -83.0 171.0 3.9 11.5 20.0 7 27 A K T 3 S+ 0 0 94 67,-0.5 24,-0.5 1,-0.3 -1,-0.1 0.660 125.3 57.6 -62.0 -20.2 0.8 9.6 21.1 8 28 A N T 3 S- 0 0 144 2,-0.1 -1,-0.3 22,-0.1 3,-0.1 0.333 121.6-104.2 -87.3 1.3 -1.4 12.6 20.4 9 29 A G S < S+ 0 0 40 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.458 75.7 137.3 93.6 9.1 -0.3 12.7 16.8 10 30 A A - 0 0 47 1,-0.1 -4,-2.7 6,-0.0 -1,-0.3 -0.659 57.0-114.4 -93.0 140.7 2.0 15.7 17.1 11 31 A V B -A 5 0A 42 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.437 15.1-154.6 -76.7 141.0 5.4 15.6 15.4 12 32 A L S S- 0 0 85 -8,-3.2 2,-0.3 1,-0.3 -7,-0.1 0.584 75.6 -5.5 -93.6 -15.0 8.4 15.6 17.7 13 33 A F S S+ 0 0 77 -9,-0.6 -1,-0.3 2,-0.0 -9,-0.1 -0.941 111.7 16.7-164.0 165.1 10.8 17.2 15.2 14 34 A G S S- 0 0 67 -2,-0.3 -12,-0.1 -3,-0.1 -3,-0.1 -0.283 99.9 -36.8 67.6-152.6 10.7 18.2 11.5 15 35 A E - 0 0 130 -3,-0.0 -3,-0.1 1,-0.0 2,-0.1 -0.887 58.6-117.6-111.3 129.8 7.5 18.7 9.4 16 36 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.365 29.6-164.2 -66.7 149.6 4.3 16.5 9.7 17 37 A S - 0 0 27 -2,-0.1 2,-0.1 -14,-0.0 62,-0.0 -0.978 19.3-114.6-127.8 151.5 3.3 14.5 6.7 18 38 A D - 0 0 153 -2,-0.3 2,-0.2 1,-0.1 88,-0.0 -0.404 30.6-117.0 -73.2 150.4 0.0 12.8 5.9 19 39 A T - 0 0 29 -2,-0.1 -1,-0.1 1,-0.1 61,-0.1 -0.578 41.0 -89.3 -79.6 155.2 -0.2 9.0 5.6 20 40 A H > - 0 0 57 -2,-0.2 3,-2.1 87,-0.2 5,-0.2 -0.477 33.7-125.6 -65.1 133.9 -1.2 7.4 2.3 21 41 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.742 109.9 51.5 -55.4 -26.4 -5.0 7.0 2.1 22 42 A Q T 3 S+ 0 0 112 79,-0.0 4,-0.1 2,-0.0 -2,-0.1 0.434 84.8 114.6 -91.7 -0.3 -4.6 3.3 1.3 23 43 A S S < S- 0 0 1 -3,-2.1 78,-0.2 2,-0.2 123,-0.1 -0.290 74.8-126.3 -63.6 155.6 -2.4 2.6 4.3 24 44 A T S S+ 0 0 28 76,-2.2 123,-2.1 121,-0.3 2,-0.7 0.472 93.5 89.8 -79.6 -9.2 -3.7 0.4 7.1 25 45 A L - 0 0 1 75,-0.5 2,-0.5 121,-0.3 -2,-0.2 -0.895 63.1-171.8 -88.6 121.1 -2.8 3.3 9.4 26 46 A K - 0 0 101 -2,-0.7 -2,-0.0 -4,-0.1 -4,-0.0 -0.956 20.9-123.1-118.1 115.6 -5.9 5.5 9.7 27 47 A L S S+ 0 0 62 -2,-0.5 2,-0.2 -8,-0.1 -8,-0.0 -0.850 78.8 43.8-117.7 157.2 -5.4 8.8 11.5 28 48 A P S S+ 0 0 132 0, 0.0 -19,-0.1 0, 0.0 -20,-0.0 0.557 79.3 143.2 -69.4 152.7 -6.3 10.6 13.7 29 49 A H - 0 0 40 -2,-0.2 2,-0.1 2,-0.0 30,-0.0 -0.926 46.2-114.3-157.7 142.5 -6.5 7.7 16.1 30 50 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.377 39.7 156.9 -72.7 154.3 -5.8 7.3 19.8 31 51 A R + 0 0 13 -24,-0.5 41,-0.1 -2,-0.1 43,-0.1 -0.980 32.1 71.5-157.3 172.5 -3.0 5.2 21.3 32 52 A G + 0 0 9 -2,-0.3 3,-0.1 2,-0.3 42,-0.1 0.737 38.8 136.4 95.6 27.8 -0.8 4.7 24.3 33 53 A E S S- 0 0 116 1,-0.3 2,-0.3 40,-0.1 41,-0.1 0.942 89.8 -17.3 -55.4 -50.2 -3.0 3.4 27.1 34 54 A K - 0 0 129 39,-0.1 2,-0.6 2,-0.0 -2,-0.3 -0.954 69.4-108.3-149.6 158.9 -0.1 0.9 27.7 35 55 A E - 0 0 106 -2,-0.3 2,-0.5 38,-0.2 38,-0.3 -0.890 43.5-174.1 -89.8 121.7 3.0 -0.4 25.9 36 56 A V E -C 72 0B 12 36,-2.5 35,-2.3 -2,-0.6 36,-0.8 -0.906 10.4-159.5-128.9 102.2 1.9 -4.0 25.1 37 57 A I E -C 70 0B 104 -2,-0.5 2,-0.3 33,-0.2 33,-0.3 -0.657 16.1-177.9 -80.7 139.3 4.5 -6.3 23.5 38 58 A V E -C 69 0B 7 31,-2.2 31,-0.7 -2,-0.3 2,-0.1 -0.953 25.0-114.1-133.7 151.9 3.1 -9.3 21.7 39 59 A G > - 0 0 46 -2,-0.3 3,-2.3 29,-0.1 29,-0.1 -0.482 33.7-108.1 -76.0 164.4 4.5 -12.3 19.9 40 60 A I G > S+ 0 0 54 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.694 120.8 58.1 -69.1 -20.6 4.1 -12.8 16.2 41 61 A R G 3 S+ 0 0 231 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.455 108.4 47.2 -84.9 -5.3 1.7 -15.7 17.0 42 62 A D G < S+ 0 0 98 -3,-2.3 -1,-0.2 2,-0.0 -2,-0.2 -0.217 71.9 156.3-133.6 48.7 -0.5 -13.3 18.9 43 63 A L < - 0 0 25 -3,-0.6 18,-0.1 1,-0.1 28,-0.1 -0.472 48.1-100.6 -70.3 145.1 -1.0 -10.3 16.8 44 64 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.098 29.0-128.5 -72.3 164.2 -4.1 -8.4 17.6 45 65 A R > - 0 0 182 1,-0.1 3,-1.5 15,-0.0 4,-0.2 -0.796 21.2-117.2-108.5 147.3 -7.5 -8.5 15.8 46 66 A K T > S+ 0 0 186 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.875 115.0 59.6 -48.9 -40.7 -9.6 -5.6 14.5 47 67 A G T 3> S+ 0 0 68 1,-0.3 4,-0.5 2,-0.1 3,-0.3 0.588 91.9 69.9 -68.5 -8.5 -12.4 -6.7 16.9 48 68 A D H <> S+ 0 0 21 -3,-1.5 4,-2.4 1,-0.2 10,-0.3 0.503 74.0 92.8 -82.3 -6.7 -10.0 -6.2 19.9 49 69 A a H <4 S+ 0 0 36 -3,-1.5 9,-0.4 2,-0.2 -1,-0.2 0.910 92.6 29.4 -58.2 -53.3 -10.0 -2.3 19.4 50 70 A R H 4 S+ 0 0 245 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.915 133.5 32.1 -74.9 -44.0 -12.9 -1.3 21.8 51 71 A T H < S- 0 0 120 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.664 95.4-141.2 -85.5 -18.7 -12.5 -4.1 24.3 52 72 A G < - 0 0 9 -4,-2.4 -1,-0.2 6,-0.1 2,-0.2 -0.306 26.2-101.7 72.4-168.5 -8.8 -4.8 24.2 53 73 A N B > -G 56 0C 44 3,-2.2 3,-1.1 -2,-0.1 -5,-0.0 -0.686 40.8 -78.0-133.6-172.4 -7.9 -8.4 24.4 54 74 A R T 3 S+ 0 0 252 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.707 128.9 57.7 -67.2 -19.1 -6.6 -10.7 27.2 55 75 A L T 3 S- 0 0 82 1,-0.3 -1,-0.2 -19,-0.0 -18,-0.1 0.645 119.7 -96.3 -83.7 -16.1 -3.1 -9.2 26.6 56 76 A G B < -G 53 0C 20 -3,-1.1 -3,-2.2 -20,-0.1 -1,-0.3 -0.900 68.4 -7.9 134.0-165.0 -4.2 -5.6 27.3 57 77 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.279 56.9-148.1 -65.9 165.4 -5.4 -2.6 25.3 58 78 A V + 0 0 4 -9,-0.4 14,-0.2 -10,-0.3 -6,-0.1 -0.993 32.8 158.0-142.9 122.2 -5.2 -2.4 21.6 59 79 A S S S- 0 0 1 12,-2.9 89,-1.4 -2,-0.4 2,-0.3 0.508 71.0 -80.0-115.8 -5.8 -4.6 0.6 19.2 60 80 A G E -D 147 0B 3 11,-1.5 2,-0.4 87,-0.3 -1,-0.3 -0.986 66.5 -41.4 147.7-143.3 -3.3 -1.4 16.3 61 81 A L E -D 146 0B 9 85,-2.0 84,-2.7 -2,-0.3 85,-1.6 -0.995 45.4-178.9-130.6 134.2 -0.1 -3.1 15.3 62 82 A F E -DE 144 70B 0 8,-2.7 8,-2.3 -2,-0.4 2,-0.3 -0.958 6.1-176.2-126.4 145.6 3.4 -1.6 15.8 63 83 A V E +DE 143 69B 0 80,-2.2 80,-2.7 -2,-0.3 6,-0.2 -0.990 10.5 174.3-144.7 147.3 6.7 -3.2 14.7 64 84 A K E > - E 0 68B 27 4,-2.0 4,-2.2 -2,-0.3 73,-0.1 -0.964 49.1 -71.6-139.7 168.1 10.4 -2.5 14.9 65 85 A P T 4 S+ 0 0 38 0, 0.0 53,-0.1 0, 0.0 70,-0.1 -0.260 108.2 56.8 -62.6 154.3 13.4 -4.6 14.0 66 86 A G T 4 S- 0 0 69 51,-0.5 2,-0.1 1,-0.1 52,-0.1 -0.307 125.9 -93.5 152.3 -58.1 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 0.619 73.0 168.1 -79.0 152.1 11.5 -8.2 15.4 68 88 A V E < - E 0 64B 40 -4,-2.2 -4,-2.0 -2,-0.1 2,-0.4 -0.999 13.0-165.8-128.6 128.7 9.4 -6.7 18.2 69 89 A F E -CE 38 63B 7 -31,-0.7 -31,-2.2 -2,-0.4 2,-0.3 -0.909 4.1-172.3-112.6 149.8 5.6 -6.3 17.8 70 90 A Y E -CE 37 62B 7 -8,-2.3 -8,-2.7 -2,-0.4 -33,-0.2 -0.992 24.7-159.9-139.1 148.3 3.2 -4.3 19.9 71 91 A Q E S+ 0 0 0 -35,-2.3 -12,-2.9 -2,-0.3 -11,-1.5 0.525 90.6 14.8 -99.5 -13.8 -0.6 -4.0 20.1 72 92 A D E -C 36 0B 0 -36,-0.8 -36,-2.5 -14,-0.2 2,-0.3 -0.958 67.7-176.4-153.8 156.3 -0.3 -0.6 21.9 73 93 A Y - 0 0 20 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.1 -0.979 14.0-171.1-157.2 134.2 2.6 1.8 22.3 74 94 A S + 0 0 36 -2,-0.3 -67,-0.5 -42,-0.1 3,-0.1 0.692 63.3 72.9-105.5 -19.3 2.9 5.1 24.2 75 95 A G S S- 0 0 23 1,-0.2 -70,-0.1 -69,-0.1 -2,-0.1 -0.016 99.1 -47.6 -87.9-166.9 6.3 6.5 23.2 76 96 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.291 63.3-179.6 -65.9 142.7 7.4 8.1 19.9 77 97 A V B -B 5 0A 0 -72,-2.1 -72,-2.8 64,-0.1 2,-0.4 -0.946 28.7-112.5-136.6 163.5 6.5 6.2 16.7 78 98 A Y B -f 143 0B 0 64,-2.7 66,-2.7 -2,-0.3 -74,-0.1 -0.777 13.7-169.5 -88.2 137.6 6.9 6.5 13.0 79 99 A H S S+ 0 0 9 -76,-0.4 23,-0.5 -2,-0.4 2,-0.3 0.493 81.8 36.8 -94.3 -10.4 3.8 7.1 10.9 80 100 A R S S- 0 0 30 -77,-0.3 23,-0.3 21,-0.1 -1,-0.1 -0.988 98.9 -95.4-138.8 146.6 5.9 6.3 7.7 81 101 A A B -h 103 0D 0 21,-2.7 23,-2.0 -2,-0.3 2,-1.6 -0.412 36.2-129.1 -61.2 121.1 8.7 3.8 7.1 82 102 A P > - 0 0 3 0, 0.0 3,-2.6 0, 0.0 4,-0.1 -0.597 28.3-173.7 -77.5 87.2 12.0 5.7 7.5 83 103 A L G > S+ 0 0 32 -2,-1.6 3,-1.7 1,-0.3 -2,-0.0 0.702 74.7 71.1 -64.7 -20.7 13.5 4.6 4.2 84 104 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.722 100.2 50.6 -58.0 -24.2 16.9 6.1 4.9 85 105 A Q G < S+ 0 0 19 -3,-2.6 51,-2.1 51,-0.1 50,-1.7 0.246 100.7 82.5 -97.5 3.8 17.2 3.2 7.4 86 106 A F E < -I 134 0E 8 -3,-1.7 2,-0.4 48,-0.2 48,-0.2 -0.738 61.7-157.0-104.5 158.7 16.2 0.6 4.8 87 107 A K E -I 133 0E 111 46,-2.2 46,-2.9 -2,-0.3 -3,-0.0 -0.997 29.9 -95.3-136.6 144.6 18.3 -1.1 2.2 88 108 A Q E +I 132 0E 156 -2,-0.4 44,-0.3 44,-0.2 42,-0.0 -0.243 53.0 162.3 -54.4 143.0 17.5 -2.8 -1.1 89 109 A A - 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