==== 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 1S2B . COMPND 2 MOLECULE: SCYTALIDOPEPSIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: SCYTALIDIUM LIGNICOLA; . AUTHOR M.FUJINAGA,M.M.CHERNEY,H.OYAMA,K.ODA,M.N.JAMES . 199 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.8 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 . 98 49.2 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 . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.5 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+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 . 0 3 4 0 1 4 3 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 . 2 1 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,-2.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 113.5 60.7 45.9 26.5 2 2 A V E +A 181 0A 35 179,-0.2 179,-0.2 1,-0.2 3,-0.2 -0.799 360.0 172.2 -90.8 114.3 63.3 43.5 25.2 3 3 A E E S+ 0 0 107 177,-2.3 2,-0.4 -2,-0.7 178,-0.2 0.779 73.4 19.4 -90.5 -31.6 64.1 40.9 27.8 4 4 A S E -A 180 0A 28 176,-1.9 176,-2.3 1,-0.1 -1,-0.3 -0.974 57.6-178.8-141.7 122.1 66.3 38.6 25.7 5 5 A N + 0 0 37 -2,-0.4 127,-2.1 174,-0.2 2,-0.4 0.485 62.6 76.1-102.3 -3.5 67.9 39.8 22.5 6 6 A W E +C 131 0B 43 172,-0.3 2,-0.4 125,-0.2 125,-0.2 -0.901 51.7 179.2-111.5 138.7 69.7 36.5 21.5 7 7 A G E +C 130 0B 0 123,-2.0 123,-2.9 -2,-0.4 2,-0.3 -0.999 43.2 45.6-133.6 135.0 68.0 33.5 20.0 8 8 A G E S-CD 129 177B 1 169,-2.5 169,-2.3 -2,-0.4 2,-0.4 -0.976 85.1 -31.7 142.1-153.6 69.8 30.4 19.0 9 9 A A E -CD 128 176B 1 119,-2.0 119,-2.2 -2,-0.3 2,-0.4 -0.928 40.5-169.6-118.0 136.3 72.4 27.8 20.2 10 10 A I E -CD 127 175B 10 165,-2.6 165,-2.9 -2,-0.4 2,-0.4 -0.982 4.7-161.6-127.5 121.5 75.4 28.5 22.4 11 11 A L E -C 126 0B 9 115,-3.7 115,-2.3 -2,-0.4 2,-0.5 -0.835 7.2-157.1-101.3 137.7 78.2 26.0 23.0 12 12 A I E +C 125 0B 81 -2,-0.4 113,-0.2 161,-0.2 2,-0.2 -0.957 41.1 94.2-117.3 131.9 80.5 26.4 26.0 13 13 A G - 0 0 32 111,-2.7 2,-0.3 -2,-0.5 3,-0.1 -0.759 61.1 -74.7-172.5-138.8 83.9 24.9 26.1 14 14 A S S S+ 0 0 68 -2,-0.2 110,-0.2 1,-0.1 109,-0.1 -0.991 88.5 19.9-151.7 156.9 87.6 25.7 25.4 15 15 A D - 0 0 67 107,-0.5 150,-1.9 -2,-0.3 151,-0.3 0.831 69.7-176.0 53.9 39.3 90.1 26.2 22.6 16 16 A F E +I 164 0C 5 107,-2.0 148,-0.3 148,-0.2 -1,-0.2 -0.450 8.9 173.8 -65.5 134.2 87.4 26.9 20.0 17 17 A D E + 0 0 35 146,-4.3 73,-2.5 1,-0.3 2,-0.4 0.822 55.4 13.9-106.8 -67.1 89.0 27.3 16.6 18 18 A T E - J 0 89C 39 71,-0.2 145,-1.7 145,-0.2 2,-0.4 -0.949 51.2-176.2-122.8 138.2 86.4 27.6 13.8 19 19 A V E +IJ 162 88C 0 69,-2.3 69,-2.1 -2,-0.4 2,-0.3 -0.995 23.5 152.5-129.1 121.4 82.7 28.2 13.9 20 20 A S E +IJ 161 87C 23 141,-2.3 141,-2.9 -2,-0.4 2,-0.3 -0.992 10.5 154.1-150.6 158.6 80.8 28.1 10.6 21 21 A A E - J 0 86C 1 65,-1.9 65,-3.1 -2,-0.3 2,-0.5 -0.959 37.3-111.5-170.5 166.8 77.4 27.4 9.0 22 22 A T E -IJ 158 85C 12 136,-2.5 136,-3.2 -2,-0.3 2,-0.4 -0.950 33.0-171.3-113.2 130.8 75.3 28.3 6.0 23 23 A A E -IJ 157 84C 2 61,-3.2 61,-3.5 -2,-0.5 2,-0.3 -0.956 19.2-127.5-126.2 145.2 72.2 30.4 6.5 24 24 A N E - J 0 83C 40 132,-0.6 59,-0.2 -2,-0.4 58,-0.1 -0.622 25.7-120.2 -87.5 146.4 69.3 31.3 4.2 25 25 A V - 0 0 0 57,-2.4 56,-3.2 -2,-0.3 57,-0.1 -0.782 34.0-151.0 -89.2 120.4 68.4 35.0 3.8 26 26 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 56,-0.1 -0.294 17.4-105.3 -86.4 173.5 64.7 35.5 4.8 27 27 A S E -Q 152 0D 55 125,-2.9 125,-1.9 126,-0.1 2,-0.3 -0.761 41.7-156.7 -92.5 141.5 62.1 38.0 3.8 28 28 A A E +Q 151 0D 12 -2,-0.4 2,-0.3 31,-0.3 123,-0.2 -0.898 16.5 171.9-125.6 155.8 61.5 40.7 6.4 29 29 A S E +Q 150 0D 68 121,-2.0 121,-1.5 -2,-0.3 31,-0.2 -0.922 38.2 93.4-149.9 172.7 58.6 43.0 7.2 30 30 A G S S- 0 0 61 30,-0.4 3,-0.2 -2,-0.3 31,-0.1 0.387 94.1 -64.3 117.9 1.7 57.5 45.5 9.9 31 31 A G E > -E 60 0B 36 29,-0.8 3,-1.2 1,-0.1 29,-0.7 -0.263 62.7 -69.4 107.5 163.4 58.8 48.8 8.4 32 32 A S E 3 S+ 0 0 78 28,-0.3 29,-0.3 1,-0.3 -1,-0.1 0.766 130.0 54.1 -62.8 -27.3 62.2 50.3 7.5 33 33 A S E 3 S+ 0 0 90 -3,-0.2 2,-0.3 27,-0.1 -1,-0.3 0.596 90.1 90.9 -83.6 -12.1 63.1 50.7 11.2 34 34 A A E < + 0 0 5 -3,-1.2 26,-3.0 112,-0.1 27,-0.3 -0.667 56.2 156.1 -85.5 138.9 62.4 47.0 12.0 35 35 A A E -Ef 59 148B 0 112,-2.8 114,-2.3 -2,-0.3 2,-0.3 -0.908 24.2-173.2-151.5 178.6 65.4 44.6 11.7 36 36 A G E -E 58 0B 0 22,-1.4 22,-2.2 -2,-0.3 2,-0.3 -0.949 13.3-146.4-168.0 162.7 67.0 41.4 12.7 37 37 A T E -EG 57 131B 2 94,-1.3 94,-2.4 -2,-0.3 2,-0.4 -0.993 5.0-156.3-144.6 151.3 70.4 39.7 12.2 38 38 A A E +EG 56 130B 0 18,-2.2 18,-2.1 -2,-0.3 2,-0.3 -0.997 30.5 151.5-126.4 129.6 71.8 36.2 11.8 39 39 A W E -EG 55 129B 0 90,-2.4 90,-2.9 -2,-0.4 2,-0.3 -0.981 35.6-137.8-154.3 163.7 75.4 35.5 12.7 40 40 A V E +EG 54 128B 0 14,-2.0 14,-1.8 -2,-0.3 2,-0.3 -0.902 38.1 146.6-120.1 151.3 78.0 32.9 13.9 41 41 A G E -EG 53 127B 0 86,-2.0 86,-2.4 -2,-0.3 2,-0.4 -0.992 42.1-107.2-170.6 178.1 80.7 33.7 16.4 42 42 A I E S-EG 52 126B 0 10,-2.5 10,-2.1 -2,-0.3 84,-0.3 -0.979 75.8 -13.9-125.2 134.2 83.1 33.0 19.2 43 43 A D + 0 0 0 82,-2.4 5,-0.1 -2,-0.4 8,-0.1 0.035 66.1 120.2 67.9-177.4 82.7 34.3 22.8 44 44 A G S S+ 0 0 27 3,-2.1 4,-0.1 6,-0.3 7,-0.1 0.230 73.2 70.3 105.8 -13.4 80.5 37.1 24.0 45 45 A D S S- 0 0 48 2,-0.1 80,-0.1 82,-0.0 -33,-0.0 0.765 121.4 -5.0 -97.8 -92.0 78.5 34.9 26.4 46 46 A T S S+ 0 0 84 1,-0.2 2,-0.9 78,-0.1 -34,-0.0 0.741 132.5 68.0 -75.8 -21.7 80.5 33.7 29.5 47 47 A a + 0 0 4 1,-0.1 -3,-2.1 3,-0.1 3,-0.3 -0.861 62.0 169.7 -99.1 103.4 83.5 35.4 27.9 48 48 A Q + 0 0 172 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.146 55.4 83.3-103.6 20.9 82.7 39.1 28.0 49 49 A T S S- 0 0 91 1,-0.3 2,-0.3 71,-0.1 -1,-0.2 0.649 105.1 -12.3 -95.1 -17.4 86.1 40.6 27.0 50 50 A A - 0 0 15 -3,-0.3 -6,-0.3 69,-0.1 2,-0.3 -0.976 52.2-149.6-171.9 165.2 85.6 40.2 23.2 51 51 A I - 0 0 28 -2,-0.3 2,-0.7 -8,-0.1 -8,-0.2 -0.944 6.3-156.5-151.1 122.7 83.4 38.6 20.6 52 52 A L E +E 42 0B 0 -10,-2.1 -10,-2.5 -2,-0.3 2,-0.3 -0.911 37.4 151.7-100.5 116.9 84.5 37.5 17.1 53 53 A Q E -EH 41 69B 18 16,-2.9 16,-2.7 -2,-0.7 2,-0.3 -0.983 27.6-178.4-149.6 158.0 81.5 37.5 14.8 54 54 A T E +EH 40 68B 2 -14,-1.8 -14,-2.0 -2,-0.3 2,-0.3 -0.974 26.7 114.7-155.1 141.7 80.2 37.9 11.3 55 55 A G E -EH 39 67B 0 12,-1.7 12,-2.4 -2,-0.3 2,-0.3 -0.913 47.7 -87.5-175.3-159.3 76.7 37.8 9.7 56 56 A F E -EH 38 66B 0 -18,-2.1 -18,-2.2 -2,-0.3 2,-0.3 -0.934 22.2-138.7-137.7 159.9 74.0 39.7 7.9 57 57 A D E -EH 37 65B 15 8,-2.9 8,-1.4 -2,-0.3 2,-0.4 -0.838 6.9-159.8-117.1 156.3 71.0 42.0 8.7 58 58 A W E -EH 36 64B 0 -22,-2.2 -22,-1.4 -2,-0.3 2,-0.3 -0.991 9.4-156.4-133.5 139.5 67.6 42.2 7.2 59 59 A Y E > -E 35 0B 45 4,-2.5 3,-1.7 -2,-0.4 -31,-0.3 -0.880 29.4-114.7-117.7 151.9 65.3 45.3 7.5 60 60 A G E 3 S+E 31 0B 11 -26,-3.0 -29,-0.8 -29,-0.7 -30,-0.4 0.547 110.8 67.2 -60.3 -7.9 61.5 45.5 7.3 61 61 A D T 3 S- 0 0 83 -30,-0.3 -1,-0.3 -27,-0.3 -29,-0.1 0.175 121.7 -99.3 -98.6 16.9 61.8 47.6 4.1 62 62 A G S < S+ 0 0 46 -3,-1.7 18,-0.2 1,-0.3 2,-0.2 0.448 83.9 124.6 84.0 -0.1 63.3 44.7 2.1 63 63 A T - 0 0 67 -4,-0.2 -4,-2.5 16,-0.1 2,-0.3 -0.509 35.9-172.4 -93.8 162.8 66.9 45.8 2.4 64 64 A Y E -H 58 0B 45 -6,-0.2 2,-0.3 14,-0.2 -6,-0.2 -0.919 6.6-175.8-144.4 168.2 69.9 43.8 3.7 65 65 A D E -H 57 0B 34 -8,-1.4 -8,-2.9 -2,-0.3 2,-0.3 -0.973 16.0-134.0-162.4 160.4 73.6 44.3 4.6 66 66 A A E +H 56 0B 5 8,-2.0 2,-0.3 -2,-0.3 -10,-0.2 -0.850 25.2 167.3-121.3 159.1 76.5 42.2 5.7 67 67 A W E -H 55 0B 29 -12,-2.4 -12,-1.7 -2,-0.3 2,-0.3 -0.973 21.5-153.9-160.6 170.5 79.2 42.8 8.4 68 68 A Y E -H 54 0B 70 4,-2.2 2,-0.3 -2,-0.3 -14,-0.3 -0.935 19.8-174.5-145.0 160.7 82.0 41.4 10.6 69 69 A E E H 53 0B 99 -16,-2.7 -16,-2.9 -2,-0.3 -2,-0.0 -0.944 360.0 360.0-167.5 142.8 83.2 42.4 14.0 70 70 A W 0 0 41 -2,-0.3 -18,-0.2 -18,-0.2 -16,-0.0 -0.714 360.0 360.0-131.1 360.0 85.8 41.9 16.7 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 76 0, 0.0 -4,-2.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 149.5 82.5 47.1 9.8 73 74 A V 0 0 62 -6,-0.2 -6,-0.2 -17,-0.0 -8,-0.0 0.112 360.0 360.0-107.2-140.7 79.5 46.5 7.5 74 75 A S 0 0 86 -7,-0.0 -8,-2.0 -2,-0.0 0, 0.0 -0.555 360.0 360.0 159.3 360.0 79.0 46.8 3.8 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 45 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 0.000 360.0 360.0 360.0 143.2 78.7 41.4 -1.0 77 82 A T - 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