==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-04 1S2K . COMPND 2 MOLECULE: SCYTALIDOPEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: SCYTALIDIUM LIGNICOLA; . AUTHOR M.FUJINAGA,M.M.CHERNEY,H.OYAMA,K.ODA,M.N.JAMES . 203 5 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 48.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.9 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+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 . 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 . 1 3 3 1 1 5 2 0 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 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 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 0 123 0, 0.0 181,-3.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 120.5 60.9 46.1 26.6 2 2 A V E +A 181 0A 35 179,-0.2 179,-0.2 1,-0.2 3,-0.2 -0.810 360.0 172.1 -90.5 114.3 63.6 43.8 25.2 3 3 A E E S+ 0 0 108 177,-2.3 2,-0.4 -2,-0.7 178,-0.2 0.763 73.2 19.2 -93.0 -29.7 64.3 41.2 27.8 4 4 A S E -A 180 0A 23 176,-1.9 176,-2.5 1,-0.1 -1,-0.3 -0.962 58.9-177.2-142.7 120.5 66.6 38.9 25.8 5 5 A N + 0 0 6 -2,-0.4 127,-2.2 174,-0.2 2,-0.4 0.490 62.6 75.6-100.0 -2.1 68.2 40.1 22.6 6 6 A W E +C 131 0B 9 172,-0.3 2,-0.4 125,-0.2 125,-0.2 -0.923 51.2 179.4-114.2 134.6 69.9 36.9 21.5 7 7 A G E +C 130 0B 0 123,-2.6 123,-3.4 -2,-0.4 2,-0.3 -0.988 44.7 45.8-128.8 137.0 68.3 33.8 20.0 8 8 A G E S-CD 129 177B 0 169,-2.7 169,-2.3 -2,-0.4 2,-0.4 -0.966 85.3 -31.9 139.7-154.7 70.2 30.7 18.9 9 9 A A E -CD 128 176B 1 119,-2.0 119,-2.2 -2,-0.3 2,-0.4 -0.921 39.9-171.5-117.5 136.3 72.9 28.3 20.1 10 10 A I E -CD 127 175B 5 165,-2.4 165,-3.2 -2,-0.4 2,-0.4 -0.985 5.4-161.7-129.2 122.5 75.8 28.9 22.4 11 11 A L E -C 126 0B 11 115,-3.6 115,-2.3 -2,-0.4 2,-0.4 -0.836 8.4-153.8-102.5 138.2 78.6 26.4 23.0 12 12 A I E +C 125 0B 85 -2,-0.4 2,-0.3 161,-0.2 113,-0.2 -0.918 42.1 91.9-113.7 138.4 80.9 26.9 26.0 13 13 A G - 0 0 31 111,-3.1 2,-0.3 -2,-0.4 3,-0.1 -0.873 61.5 -71.4 179.0-143.4 84.4 25.5 26.2 14 14 A S S S+ 0 0 66 -2,-0.3 110,-0.2 1,-0.1 109,-0.1 -0.984 89.4 16.5-147.6 157.1 88.0 26.4 25.5 15 15 A D - 0 0 65 107,-0.5 150,-2.1 -2,-0.3 151,-0.3 0.848 69.9-174.0 51.0 41.8 90.5 27.1 22.7 16 16 A F E +I 164 0C 4 107,-2.5 148,-0.3 148,-0.2 -1,-0.2 -0.474 7.4 177.8 -65.7 133.0 87.8 27.5 20.1 17 17 A D E + 0 0 36 146,-3.7 73,-2.5 1,-0.3 2,-0.4 0.857 54.6 10.5-101.3 -70.5 89.3 27.9 16.7 18 18 A T E - J 0 89C 39 71,-0.2 145,-2.0 145,-0.1 2,-0.4 -0.924 51.1-175.4-120.7 142.7 86.8 28.2 13.8 19 19 A V E +IJ 162 88C 0 69,-2.0 69,-2.0 -2,-0.4 2,-0.3 -0.989 23.8 151.7-133.6 120.4 83.1 28.8 13.9 20 20 A S E +IJ 161 87C 21 141,-2.4 141,-2.7 -2,-0.4 2,-0.3 -0.989 10.9 156.0-150.5 159.9 81.2 28.7 10.6 21 21 A A E - J 0 86C 1 65,-2.1 65,-3.3 -2,-0.3 2,-0.5 -0.964 37.0-111.4-171.7 164.7 77.9 28.0 8.9 22 22 A T E -IJ 158 85C 13 136,-2.4 136,-3.2 -2,-0.3 2,-0.4 -0.938 34.2-172.8-110.4 131.1 75.8 28.8 5.9 23 23 A A E -IJ 157 84C 1 61,-3.0 61,-3.4 -2,-0.5 2,-0.2 -0.977 19.3-127.9-129.2 141.7 72.6 30.9 6.4 24 24 A N E - J 0 83C 41 132,-0.7 59,-0.2 -2,-0.4 58,-0.1 -0.556 24.6-120.6 -84.3 148.9 69.8 31.8 4.1 25 25 A V - 0 0 0 57,-2.5 56,-3.0 54,-0.2 2,-0.1 -0.797 33.4-151.9 -90.7 121.5 68.7 35.5 3.8 26 26 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 56,-0.1 -0.359 18.4-105.8 -89.4 172.1 65.0 35.9 4.7 27 27 A S E -Q 152 0D 58 125,-3.2 125,-2.1 53,-0.1 2,-0.3 -0.714 42.2-157.4 -89.8 146.6 62.4 38.4 3.6 28 28 A A E +Q 151 0D 10 -2,-0.3 2,-0.3 31,-0.3 123,-0.2 -0.930 16.4 172.0-130.5 155.6 61.7 40.9 6.4 29 29 A S E +Q 150 0D 70 121,-2.1 121,-1.7 -2,-0.3 32,-0.2 -0.899 38.0 95.5-149.1 176.0 58.9 43.2 7.3 30 30 A G S S- 0 0 61 30,-0.4 3,-0.2 -2,-0.3 2,-0.1 0.342 93.9 -59.4 117.1 -3.3 57.6 45.6 9.9 31 31 A G E > -E 60 0B 35 29,-0.7 3,-0.8 1,-0.1 29,-0.7 -0.315 62.1 -70.9 115.4 160.6 58.9 48.9 8.5 32 32 A S E 3 S+ 0 0 79 28,-0.3 29,-0.3 1,-0.2 -1,-0.1 0.792 129.8 50.4 -58.4 -31.0 62.1 50.6 7.5 33 33 A S E 3 S+ 0 0 86 -3,-0.2 -1,-0.2 27,-0.1 2,-0.2 0.717 91.1 92.7 -81.9 -21.6 63.2 50.9 11.1 34 34 A A E < + 0 0 5 -3,-0.8 26,-3.0 112,-0.1 27,-0.3 -0.469 54.6 154.6 -75.1 144.5 62.6 47.3 12.0 35 35 A A E -Ef 59 148B 0 112,-2.7 114,-2.0 24,-0.3 2,-0.3 -0.945 25.4-167.5-158.3 177.1 65.5 44.9 11.6 36 36 A G E -E 58 0B 0 22,-1.7 22,-2.4 -2,-0.3 2,-0.3 -0.964 11.6-146.5-163.9 165.3 67.3 41.7 12.6 37 37 A T E -EG 57 131B 0 94,-1.3 94,-2.5 -2,-0.3 2,-0.4 -0.992 4.8-159.5-145.2 150.4 70.7 40.1 12.2 38 38 A A E +EG 56 130B 0 18,-2.1 18,-2.0 -2,-0.3 2,-0.3 -0.999 29.7 153.5-127.5 130.1 72.1 36.6 11.9 39 39 A W E -EG 55 129B 0 90,-2.3 90,-2.8 -2,-0.4 2,-0.3 -0.983 36.1-136.3-154.0 162.9 75.8 36.0 12.7 40 40 A V E +EG 54 128B 0 14,-2.1 14,-1.9 -2,-0.3 2,-0.3 -0.895 38.3 155.0-117.5 150.2 78.4 33.5 13.8 41 41 A G E -EG 53 127B 0 86,-2.2 86,-2.4 -2,-0.3 2,-0.4 -0.989 40.0-115.8-166.2 174.4 81.0 34.4 16.4 42 42 A I E S-EG 52 126B 0 10,-2.4 10,-2.1 -2,-0.3 84,-0.3 -0.986 75.5 -13.7-125.1 132.7 83.4 33.5 19.2 43 43 A D + 0 0 0 82,-2.7 5,-0.1 -2,-0.4 8,-0.1 -0.006 67.0 120.0 69.7-176.2 83.0 34.8 22.7 44 44 A G S S+ 0 0 15 3,-2.4 4,-0.1 6,-0.3 7,-0.1 0.160 71.7 70.6 106.2 -18.3 80.7 37.5 24.0 45 45 A D S S- 0 0 30 2,-0.1 3,-0.1 0, 0.0 -33,-0.1 0.854 121.9 -5.0 -92.7 -86.2 78.8 35.3 26.5 46 46 A T S S+ 0 0 85 1,-0.2 2,-0.9 2,-0.0 -34,-0.0 0.709 133.8 64.9 -81.6 -22.4 80.8 34.2 29.5 47 47 A a + 0 0 4 1,-0.1 -3,-2.4 3,-0.1 3,-0.4 -0.857 63.1 166.5-101.0 96.7 83.8 35.9 27.9 48 48 A Q + 0 0 162 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.198 53.8 85.2 -99.9 16.5 82.8 39.6 27.9 49 49 A T S S- 0 0 93 1,-0.2 2,-0.3 71,-0.1 -1,-0.2 0.753 104.1 -8.3 -86.4 -27.0 86.1 41.1 27.1 50 50 A A - 0 0 13 -3,-0.4 -6,-0.3 69,-0.1 2,-0.3 -0.979 54.4-153.0-161.1 168.6 85.8 40.7 23.3 51 51 A I - 0 0 27 -2,-0.3 2,-0.6 -8,-0.1 -8,-0.2 -0.933 4.5-158.3-155.0 125.4 83.8 39.2 20.5 52 52 A L E +E 42 0B 0 -10,-2.1 -10,-2.4 -2,-0.3 2,-0.3 -0.934 36.5 152.2-106.0 115.8 84.8 38.1 17.0 53 53 A Q E -EH 41 69B 0 16,-2.7 16,-2.2 -2,-0.6 2,-0.3 -0.980 25.7-179.1-147.6 156.1 81.7 38.1 14.8 54 54 A T E +EH 40 68B 2 -14,-1.9 -14,-2.1 -2,-0.3 2,-0.3 -0.981 27.0 111.3-153.8 144.0 80.4 38.4 11.3 55 55 A G E -EH 39 67B 0 12,-1.9 12,-2.5 -2,-0.3 2,-0.3 -0.934 49.5 -86.5-179.5-158.7 77.0 38.2 9.7 56 56 A F E -EH 38 66B 0 -18,-2.0 -18,-2.1 -2,-0.3 2,-0.3 -0.942 21.8-139.0-139.0 159.2 74.3 40.2 7.9 57 57 A D E -EH 37 65B 4 8,-2.6 8,-1.5 -2,-0.3 2,-0.4 -0.858 7.9-156.8-117.2 153.7 71.3 42.4 8.8 58 58 A W E -EH 36 64B 0 -22,-2.4 -22,-1.7 -2,-0.3 2,-0.3 -0.953 9.9-153.9-126.3 145.9 67.8 42.6 7.2 59 59 A Y E > -E 35 0B 40 4,-2.3 3,-1.8 -2,-0.4 -31,-0.3 -0.907 27.6-116.1-121.5 152.1 65.5 45.6 7.5 60 60 A G E 3 S+E 31 0B 12 -26,-3.0 -29,-0.7 -29,-0.7 -30,-0.4 0.545 110.8 65.5 -62.3 -7.7 61.7 45.8 7.3 61 61 A D T 3 S- 0 0 86 -29,-0.3 -1,-0.3 -27,-0.3 -29,-0.1 0.186 122.4 -99.1 -99.6 15.8 62.0 47.9 4.1 62 62 A G S < S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.3 18,-0.2 0.531 83.8 124.4 83.3 6.4 63.5 45.1 2.1 63 63 A T - 0 0 67 -4,-0.2 -4,-2.3 -31,-0.1 -1,-0.3 -0.581 36.3-170.8 -99.2 163.9 67.2 46.2 2.4 64 64 A Y E -H 58 0B 43 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.880 7.0-173.6-142.5 172.5 70.2 44.3 3.8 65 65 A D E -H 57 0B 40 -8,-1.5 -8,-2.6 -2,-0.3 2,-0.3 -0.968 15.3-135.8-165.8 157.4 73.8 44.8 4.7 66 66 A A E +H 56 0B 1 8,-1.3 8,-0.5 -2,-0.3 2,-0.3 -0.898 26.0 167.5-121.3 152.8 76.8 42.7 5.8 67 67 A W E -H 55 0B 9 -12,-2.5 -12,-1.9 -2,-0.3 2,-0.3 -0.960 21.9-155.0-155.7 169.9 79.4 43.4 8.5 68 68 A Y E -H 54 0B 69 4,-2.0 2,-0.3 -2,-0.3 -14,-0.2 -0.921 19.3-177.3-142.9 162.5 82.2 42.0 10.7 69 69 A E E H 53 0B 53 -16,-2.2 -16,-2.7 -2,-0.3 -2,-0.0 -0.934 360.0 360.0-170.0 142.4 83.4 43.1 14.1 70 70 A W 0 0 36 -2,-0.3 -18,-0.2 -18,-0.2 48,-0.1 -0.690 360.0 360.0-129.0 360.0 85.9 42.6 16.8 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 73 A E 0 0 81 0, 0.0 -4,-2.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 127.7 82.7 47.9 10.0 73 74 A V 0 0 68 -6,-0.2 -6,-0.2 -8,-0.0 -5,-0.0 0.065 360.0 360.0 -93.0-155.9 79.9 47.3 7.4 74 75 A S 0 0 70 -8,-0.5 -8,-1.3 -7,-0.1 35,-0.0 -0.938 360.0 360.0 168.6 360.0 80.0 46.4 3.7 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 81 A I 0 0 43 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 0.000 360.0 360.0 360.0 137.0 79.0 41.9 -0.8 77 82 A T - 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