==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-SEP-06 2IFR . COMPND 2 MOLECULE: SCYTALIDOPEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: SCYTALIDIUM LIGNICOLA; . AUTHOR B.PILLAI,M.M.CHERNEY,K.HIRAGA,K.TAKADA,K.ODA,M.N.JAMES . 211 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 52.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 0 3 6 0 1 2 3 2 1 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 2 0 0 0 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 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 1 A T 0 0 122 0, 0.0 185,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 112.8 60.7 45.9 26.7 2 2 A V E +A 185 0A 33 183,-0.2 183,-0.3 1,-0.2 3,-0.2 -0.761 360.0 173.3 -87.1 118.7 63.3 43.5 25.3 3 3 A E E S+ 0 0 109 181,-2.9 2,-0.4 -2,-0.7 182,-0.2 0.778 73.1 22.8 -96.2 -29.2 64.1 40.9 28.0 4 4 A S E -A 184 0A 21 180,-2.0 180,-2.1 1,-0.1 -1,-0.4 -0.980 59.3-175.5-140.4 122.4 66.3 38.7 25.9 5 5 A N + 0 0 15 -2,-0.4 131,-2.3 178,-0.2 2,-0.4 0.483 63.6 68.9 -98.9 -4.1 68.1 39.9 22.8 6 6 A W E -C 135 0B 0 176,-0.3 2,-0.4 129,-0.2 129,-0.2 -0.951 51.9-178.5-118.9 138.4 69.7 36.7 21.5 7 7 A G E +C 134 0B 0 127,-2.5 127,-3.5 -2,-0.4 2,-0.3 -0.989 45.2 54.1-128.5 137.3 68.0 33.6 20.1 8 8 A G E S-CD 133 181B 0 173,-2.6 173,-2.4 -2,-0.4 2,-0.4 -0.968 83.9 -38.4 143.8-158.0 69.9 30.6 19.0 9 9 A A E -CD 132 180B 1 123,-2.2 123,-2.4 -2,-0.3 2,-0.5 -0.922 40.7-171.7-118.3 133.8 72.5 28.0 20.1 10 10 A I E -CD 131 179B 2 169,-2.5 169,-3.1 -2,-0.4 2,-0.4 -0.987 6.5-159.8-127.4 122.6 75.5 28.6 22.4 11 11 A L E -C 130 0B 11 119,-3.7 119,-2.0 -2,-0.5 2,-0.5 -0.815 8.9-152.9 -97.8 140.9 78.2 26.0 23.1 12 12 A I E +C 129 0B 81 -2,-0.4 2,-0.3 117,-0.2 117,-0.2 -0.946 44.5 95.3-113.5 133.4 80.4 26.5 26.2 13 13 A G - 0 0 33 115,-3.4 2,-0.3 -2,-0.5 3,-0.1 -0.816 61.7 -80.6-175.9-141.4 83.9 25.1 26.2 14 14 A S S S+ 0 0 68 -2,-0.3 114,-0.2 1,-0.1 113,-0.1 -0.991 88.7 24.5-152.3 157.2 87.6 26.1 25.5 15 15 A D - 0 0 64 111,-0.5 154,-2.0 -2,-0.3 2,-0.2 0.856 68.5-174.9 58.4 38.6 90.0 26.5 22.6 16 16 A F E +J 168 0C 4 111,-2.3 152,-0.3 152,-0.2 -1,-0.2 -0.516 6.7 176.9 -68.5 130.3 87.3 27.2 20.1 17 17 A D E + 0 0 30 150,-3.3 77,-3.2 1,-0.4 2,-0.4 0.880 55.2 2.8 -98.3 -66.0 88.9 27.4 16.6 18 18 A T E - K 0 93C 36 149,-0.4 149,-1.6 75,-0.3 2,-0.4 -0.977 50.5-171.1-132.0 145.9 86.4 27.9 13.9 19 19 A V E +JK 166 92C 0 73,-2.2 73,-2.3 -2,-0.4 2,-0.3 -0.998 23.6 156.8-133.6 125.2 82.6 28.4 13.8 20 20 A S E +JK 165 91C 25 145,-2.3 145,-2.4 -2,-0.4 2,-0.3 -0.983 8.7 153.5-149.4 159.8 80.8 28.3 10.5 21 21 A A E - K 0 90C 2 69,-2.0 69,-3.6 -2,-0.3 2,-0.5 -0.949 38.1-113.9-172.9 165.4 77.4 27.6 8.9 22 22 A T E -JK 162 89C 12 140,-2.5 140,-3.4 -2,-0.3 2,-0.4 -0.954 33.4-171.4-112.1 129.7 75.4 28.6 5.9 23 23 A A E -JK 161 88C 2 65,-3.0 65,-3.4 -2,-0.5 2,-0.3 -0.957 19.2-126.4-124.7 147.1 72.2 30.6 6.5 24 24 A N E - K 0 87C 40 136,-0.7 63,-0.2 -2,-0.4 62,-0.1 -0.617 25.1-119.9 -88.1 148.9 69.3 31.6 4.2 25 25 A V - 0 0 0 61,-2.5 60,-3.3 -2,-0.3 2,-0.1 -0.792 32.4-152.9 -91.3 123.9 68.3 35.2 3.8 26 26 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.410 18.6-109.4 -90.0 165.8 64.7 35.8 4.8 27 27 A S E -Q 156 0D 55 129,-3.1 129,-2.3 -2,-0.1 2,-0.3 -0.751 41.0-155.3 -88.1 148.3 62.2 38.4 3.7 28 28 A A E +Q 155 0D 16 -2,-0.3 2,-0.3 31,-0.3 127,-0.2 -0.930 17.0 173.0-129.0 154.0 61.4 40.8 6.6 29 29 A S E +Q 154 0D 67 125,-2.3 125,-1.6 -2,-0.3 32,-0.1 -0.805 37.0 95.2-145.2-179.0 58.6 43.1 7.5 30 30 A G S S- 0 0 62 30,-0.3 3,-0.1 -2,-0.3 2,-0.1 0.372 94.6 -44.7 112.0 -1.8 57.3 45.4 10.2 31 31 A G E > -E 60 0B 33 29,-0.6 3,-1.8 1,-0.1 29,-0.9 -0.296 62.3 -84.0 122.0 150.0 58.5 48.8 9.1 32 32 A S E 3 S+ 0 0 80 28,-0.3 29,-0.4 1,-0.3 -1,-0.1 0.768 128.4 49.5 -58.5 -27.0 61.7 50.4 7.6 33 33 A S E 3 S+ 0 0 84 -3,-0.1 2,-0.3 27,-0.1 -1,-0.3 0.504 90.5 93.3 -94.6 0.8 63.0 50.8 11.2 34 34 A A E < + 0 0 3 -3,-1.8 26,-2.9 116,-0.1 27,-0.3 -0.660 54.4 156.6 -88.5 147.0 62.4 47.1 12.3 35 35 A A E -Ef 59 152B 0 116,-2.7 118,-2.5 -2,-0.3 2,-0.3 -0.913 25.1-169.8-156.2-179.7 65.3 44.8 11.8 36 36 A G E -E 58 0B 0 22,-1.6 22,-2.4 -2,-0.3 2,-0.3 -0.938 12.3-146.4-167.8 166.7 67.1 41.6 12.9 37 37 A T E -EG 57 135B 0 98,-1.2 98,-2.6 -2,-0.3 2,-0.4 -0.992 3.9-156.2-145.8 151.7 70.4 39.9 12.3 38 38 A A E +EG 56 134B 0 18,-2.4 18,-2.2 -2,-0.3 2,-0.3 -0.995 30.2 155.0-125.8 132.5 71.8 36.3 11.9 39 39 A W E -EG 55 133B 0 94,-2.4 94,-2.6 -2,-0.4 2,-0.3 -0.976 35.2-137.8-154.7 161.5 75.5 35.7 12.7 40 40 A V E +EG 54 132B 0 14,-2.2 14,-2.0 -2,-0.3 2,-0.3 -0.897 39.6 149.8-117.9 152.0 78.0 33.1 13.8 41 41 A G E -EG 53 131B 0 90,-2.1 90,-2.3 -2,-0.3 2,-0.4 -0.989 42.8-108.4-169.0 177.8 80.7 33.9 16.4 42 42 A I E S-EG 52 130B 0 10,-2.6 10,-2.2 -2,-0.3 88,-0.2 -0.989 75.7 -16.1-126.9 131.3 83.1 33.2 19.2 43 43 A D + 0 0 0 86,-2.2 8,-0.1 -2,-0.4 5,-0.1 0.005 65.5 120.6 70.0-174.0 82.6 34.5 22.7 44 44 A G S S+ 0 0 0 3,-1.9 169,-1.9 6,-0.4 4,-0.1 0.332 73.1 70.1 101.5 -8.6 80.4 37.2 24.0 45 45 A D S S- 0 0 16 167,-0.2 -33,-0.1 2,-0.1 84,-0.0 0.731 121.8 -3.4-102.6 -88.4 78.4 35.0 26.5 46 46 A T S S+ 0 0 86 1,-0.2 2,-0.8 2,-0.0 -34,-0.0 0.640 131.2 68.9 -82.0 -13.9 80.4 33.9 29.5 47 47 A a + 0 0 3 1,-0.1 -3,-1.9 3,-0.1 3,-0.4 -0.900 61.7 172.2-103.7 101.7 83.5 35.6 27.9 48 48 A Q + 0 0 109 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.309 59.2 80.3 -93.8 7.6 82.6 39.4 28.2 49 49 A T S S- 0 0 79 1,-0.2 2,-0.3 75,-0.1 -1,-0.2 0.696 105.1 -17.7 -89.2 -18.5 85.9 40.8 27.0 50 50 A A - 0 0 0 -3,-0.4 -6,-0.4 73,-0.1 2,-0.3 -0.983 48.8-150.3-173.2 166.5 85.4 40.3 23.3 51 51 A I E - H 0 71B 0 20,-1.5 20,-2.0 -2,-0.3 2,-0.7 -0.941 7.2-154.4-153.9 129.9 83.5 38.6 20.5 52 52 A L E +EH 42 70B 0 -10,-2.2 -10,-2.6 -2,-0.3 2,-0.3 -0.931 38.2 156.1-102.5 116.6 84.5 37.7 16.9 53 53 A Q E -EH 41 69B 0 16,-3.0 16,-2.4 -2,-0.7 2,-0.3 -0.987 25.3-177.6-147.4 153.4 81.4 37.6 14.8 54 54 A T E +EH 40 68B 0 -14,-2.0 -14,-2.2 -2,-0.3 2,-0.3 -0.993 27.5 108.9-149.3 142.6 80.1 37.9 11.3 55 55 A G E -EH 39 67B 0 12,-1.9 12,-2.6 -2,-0.3 2,-0.3 -0.937 49.9 -86.2-178.7-158.0 76.7 37.9 9.7 56 56 A F E -EH 38 66B 0 -18,-2.2 -18,-2.4 -2,-0.3 2,-0.3 -0.945 22.6-139.7-140.2 157.9 74.0 40.0 8.0 57 57 A D E -EH 37 65B 0 8,-2.8 8,-1.5 -2,-0.3 2,-0.4 -0.798 6.7-157.1-113.8 159.3 71.0 42.2 8.9 58 58 A W E -EH 36 64B 0 -22,-2.4 -22,-1.6 -2,-0.3 2,-0.3 -0.980 9.0-157.4-134.0 141.3 67.5 42.5 7.4 59 59 A Y E > -E 35 0B 32 4,-2.3 3,-1.9 -2,-0.4 -31,-0.3 -0.883 30.5-112.7-119.0 155.8 65.3 45.6 7.7 60 60 A G E 3 S+E 31 0B 13 -26,-2.9 -29,-0.6 -29,-0.9 -28,-0.3 0.514 111.6 67.3 -64.3 -8.4 61.5 45.8 7.4 61 61 A D T 3 S- 0 0 88 -29,-0.4 -1,-0.3 -27,-0.3 -29,-0.1 0.239 121.0-101.1 -95.7 12.3 61.8 47.9 4.3 62 62 A G S < S+ 0 0 44 -3,-1.9 22,-0.2 1,-0.3 2,-0.2 0.583 82.8 125.0 84.6 8.8 63.3 45.0 2.4 63 63 A T - 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