==== 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 06-JAN-99 1B5F . COMPND 2 MOLECULE: PROTEIN (CARDOSIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: CYNARA CARDUNCULUS; . AUTHOR C.FRAZAO,I.BENTO,M.A.CARRONDO . 651 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 96 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 8 0 0 2 0 0 1 1 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 4 4 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 . 2 11 5 6 7 5 2 0 0 0 2 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 2 0 4 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 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 0 A G 0 0 45 0, 0.0 168,-0.2 0, 0.0 166,-0.2 0.000 360.0 360.0 360.0 147.7 25.2 9.5 30.8 2 1 A S + 0 0 37 166,-0.6 2,-0.3 1,-0.1 93,-0.3 0.624 360.0 24.7 -39.8 -25.6 25.5 13.1 29.6 3 2 A A E -A 167 0A 2 164,-2.1 164,-3.3 91,-0.1 2,-0.5 -0.920 63.2-166.6-149.9 131.2 23.0 12.4 26.8 4 3 A V E -A 166 0A 74 -2,-0.3 2,-0.5 162,-0.2 162,-0.2 -0.941 6.7-166.5-111.7 126.3 20.3 9.8 26.2 5 4 A V E -A 165 0A 8 160,-3.3 160,-2.8 -2,-0.5 2,-0.3 -0.967 15.3-139.4-115.1 118.9 18.8 9.3 22.8 6 5 A A E -A 164 0A 72 -2,-0.5 2,-0.4 158,-0.2 12,-0.4 -0.579 21.8-147.1 -75.7 132.5 15.6 7.3 22.5 7 6 A L E -A 163 0A 7 156,-2.6 155,-0.9 -2,-0.3 156,-0.7 -0.825 4.5-139.9-105.9 142.8 15.6 4.9 19.5 8 7 A T E -F 16 0B 77 8,-3.7 8,-2.1 -2,-0.4 2,-0.6 -0.860 14.6-143.2 -95.4 132.2 12.8 3.8 17.4 9 8 A N E -F 15 0B 22 -2,-0.5 2,-0.7 6,-0.2 6,-0.2 -0.923 11.0-164.2 -96.6 112.7 12.8 0.2 16.3 10 9 A D E >> S-F 14 0B 19 4,-2.7 3,-2.1 -2,-0.6 4,-1.2 -0.891 72.4 -41.8 -97.8 101.3 11.5 -0.2 12.7 11 10 A R T 34 S- 0 0 117 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.740 99.8 -74.6 53.0 32.1 10.6 -4.0 12.2 12 11 A D T 34 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.525 124.8 89.5 59.6 7.5 13.8 -5.1 14.1 13 12 A T T <4 S+ 0 0 34 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.590 89.3 23.7-114.6 -10.8 15.9 -4.1 11.1 14 13 A S E < -F 10 0B 9 -4,-1.2 -4,-2.7 206,-0.1 2,-0.4 -0.988 56.8-162.0-149.7 151.6 16.7 -0.6 11.8 15 14 A Y E +F 9 0B 8 -2,-0.3 17,-0.5 202,-0.3 2,-0.3 -0.995 22.0 163.1-128.1 131.6 17.0 1.7 14.8 16 15 A F E -FG 8 31B 14 -8,-2.1 -8,-3.7 -2,-0.4 2,-0.2 -0.951 13.5-179.0-147.8 165.9 17.0 5.5 14.7 17 16 A G E - G 0 30B 7 13,-2.1 13,-3.0 -2,-0.3 2,-0.3 -0.831 33.8 -74.5-152.1-175.0 16.5 8.6 16.7 18 17 A E E + G 0 29B 70 -12,-0.4 76,-0.4 -2,-0.2 2,-0.3 -0.645 35.3 170.0-103.4 145.2 16.5 12.4 16.4 19 18 A I E - G 0 28B 1 9,-2.5 9,-2.6 -2,-0.3 2,-0.4 -0.932 22.1-137.6-135.5 165.9 19.1 15.0 15.9 20 19 A G E -HG 92 27B 4 72,-2.1 72,-3.3 -2,-0.3 2,-0.4 -0.946 12.3-166.4-120.3 141.9 19.0 18.7 15.1 21 20 A I E > +HG 91 26B 0 5,-2.2 5,-2.6 -2,-0.4 70,-0.2 -0.998 52.7 9.4-128.3 127.2 21.4 20.4 12.7 22 21 A G T 5S- 0 0 1 68,-2.3 70,-0.1 -2,-0.4 41,-0.1 -0.369 93.0 -47.9 105.7 174.8 21.6 24.2 12.6 23 22 A T T 5S+ 0 0 28 1,-0.3 41,-2.5 2,-0.1 42,-0.3 -0.973 136.0 25.8-128.4 111.2 20.5 27.2 14.6 24 23 A P T 5S- 0 0 12 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.695 121.9-104.9 -72.4 164.2 17.6 26.9 15.1 25 24 A P T 5 - 0 0 37 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.362 25.7-149.5 -70.2 124.7 17.9 23.1 14.9 26 25 A Q E < -G 21 0B 17 -5,-2.6 -5,-2.2 -2,-0.3 2,-0.3 -0.767 29.1-119.2 -84.2 135.3 16.5 21.5 11.8 27 26 A K E +G 20 0B 46 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.609 35.1 173.7 -89.4 140.7 15.2 18.0 12.6 28 27 A F E -G 19 0B 1 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.5 -0.990 27.5-138.6-138.5 146.7 16.5 14.8 11.2 29 28 A T E +G 18 0B 43 -2,-0.3 91,-2.9 -11,-0.2 92,-1.7 -0.908 37.5 175.6 -98.5 121.2 15.9 11.1 11.8 30 29 A V E -Gi 17 121B 0 -13,-3.0 -13,-2.1 -2,-0.5 2,-0.5 -0.949 35.7-121.8-134.4 150.5 19.1 9.2 11.7 31 30 A I E -Gi 16 122B 14 90,-1.8 92,-3.1 -2,-0.4 2,-0.8 -0.785 26.1-138.5 -78.7 125.2 20.6 5.8 12.2 32 31 A F E - i 0 123B 3 -17,-0.5 2,-0.5 -2,-0.5 92,-0.2 -0.854 32.0-169.2 -88.0 111.2 23.3 5.9 14.8 33 32 A D E > - i 0 124B 11 90,-2.4 92,-2.9 -2,-0.8 3,-1.4 -0.895 31.7-176.7-122.7 102.6 25.8 3.6 13.1 34 33 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.5 1,-0.3 93,-0.2 0.495 84.9 69.8 -78.1 -4.7 29.0 2.2 14.7 35 34 A G T 3 S+ 0 0 11 154,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.427 102.7 36.2 -90.9 -0.5 29.8 0.6 11.3 36 35 A S < - 0 0 20 -3,-1.4 90,-2.7 87,-0.1 89,-0.8 -0.959 62.5-143.8-151.8 166.1 30.6 3.9 9.5 37 36 A S + 0 0 10 -2,-0.3 2,-0.3 87,-0.2 92,-0.3 0.323 64.0 86.8-121.7 6.8 32.2 7.2 10.2 38 37 A V - 0 0 13 95,-0.1 86,-1.3 90,-0.1 2,-0.5 -0.824 57.9-143.2-113.3 149.8 30.4 10.0 8.4 39 38 A L E +J 123 0B 7 -2,-0.3 65,-2.6 63,-0.3 2,-0.3 -0.951 32.2 165.2-101.8 125.5 27.4 12.1 9.2 40 39 A W E +Jk 122 104B 0 82,-2.2 82,-1.5 -2,-0.5 65,-0.2 -0.994 14.4 174.2-141.7 151.7 25.2 12.9 6.3 41 40 A V E - k 0 105B 0 63,-1.8 65,-2.9 -2,-0.3 80,-0.1 -0.927 45.7 -79.8-140.5 160.4 21.6 14.2 5.7 42 41 A P E - k 0 106B 0 0, 0.0 16,-2.7 0, 0.0 2,-0.3 -0.429 46.4-131.8 -64.8 137.4 19.7 15.1 2.6 43 42 A S B > -n 58 0C 0 63,-2.6 3,-1.1 14,-0.3 16,-0.2 -0.640 12.4-128.8 -84.2 145.5 20.5 18.6 1.2 44 43 A S T 3 S+ 0 0 41 14,-2.3 15,-0.1 1,-0.3 -1,-0.1 0.732 111.3 63.4 -61.8 -24.5 17.9 21.1 0.1 45 44 A K T 3 S+ 0 0 93 13,-0.3 2,-0.3 2,-0.1 -1,-0.3 -0.017 74.6 161.0 -90.8 34.1 19.9 21.2 -3.1 46 45 A a < - 0 0 31 -3,-1.1 2,-0.7 1,-0.1 3,-0.3 -0.449 33.8-138.1 -68.8 124.0 19.2 17.5 -4.0 47 46 A I - 0 0 90 60,-2.6 62,-0.1 -2,-0.3 -1,-0.1 -0.741 67.0 -40.5 -93.0 103.5 19.9 16.9 -7.7 48 46AA N S S+ 0 0 149 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.857 96.3 140.2 40.0 57.5 17.2 14.7 -9.4 49 47 A S > - 0 0 9 -3,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.948 39.9-167.5-130.9 113.2 16.9 12.4 -6.4 50 48 A K H > S+ 0 0 80 -2,-0.4 4,-1.3 1,-0.2 5,-0.1 0.818 87.0 65.6 -69.8 -27.2 13.6 11.0 -5.3 51 49 A A H >4 S+ 0 0 0 58,-0.4 3,-0.5 1,-0.2 4,-0.3 0.949 103.8 46.0 -60.7 -43.9 15.0 9.7 -2.0 52 50 A a H >4 S+ 0 0 1 -3,-0.3 3,-2.7 1,-0.2 -1,-0.2 0.939 104.4 59.8 -61.0 -45.0 15.7 13.3 -0.9 53 51 A R H 3< S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.4 46.5 -63.0 -24.4 12.4 14.7 -1.9 54 52 A A T << S+ 0 0 24 -4,-1.3 -1,-0.3 -3,-0.5 2,-0.3 0.447 109.7 67.1 -92.0 1.7 10.6 12.3 0.5 55 53 A H S < S- 0 0 19 -3,-2.7 65,-0.1 -4,-0.3 2,-0.1 -0.820 95.6 -85.4-122.3 162.7 13.0 12.9 3.3 56 54 A S - 0 0 38 -2,-0.3 2,-0.3 -27,-0.1 -2,-0.1 -0.379 49.5-153.8 -62.1 138.7 13.8 15.9 5.6 57 55 A M - 0 0 81 -16,-0.1 2,-0.5 -4,-0.1 -14,-0.3 -0.784 12.2-121.2-119.2 154.9 16.4 18.2 4.1 58 56 A Y B -n 43 0C 0 -16,-2.7 -14,-2.3 -2,-0.3 2,-0.7 -0.856 18.0-165.1 -98.1 128.5 19.0 20.6 5.4 59 57 A E > - 0 0 50 -2,-0.5 3,-1.8 -16,-0.2 4,-0.3 -0.892 1.8-168.5-113.9 99.9 18.8 24.2 4.3 60 58 A S G > S+ 0 0 9 -2,-0.7 3,-1.5 1,-0.3 6,-0.3 0.825 84.1 61.7 -58.8 -30.4 22.0 25.9 5.1 61 59 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.710 98.1 59.5 -76.6 -9.3 20.6 29.4 4.5 62 60 A D G < S+ 0 0 106 -3,-1.8 2,-0.5 -38,-0.0 -1,-0.3 0.517 92.8 80.7 -87.1 -7.1 18.1 28.9 7.3 63 61 A S X - 0 0 11 -3,-1.5 3,-0.7 -4,-0.3 -41,-0.1 -0.905 61.3-158.4-110.0 127.7 20.8 28.3 9.9 64 62 A S T 3 S+ 0 0 43 -41,-2.5 -1,-0.1 -2,-0.5 421,-0.1 0.616 94.2 48.4 -78.7 -11.2 22.7 31.1 11.6 65 63 A T T 3 S+ 0 0 31 -42,-0.3 -1,-0.2 -41,-0.1 35,-0.2 0.371 79.7 124.8-111.0 5.3 25.7 28.9 12.6 66 64 A Y < - 0 0 57 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.422 40.0-167.9 -55.5 136.2 26.3 27.3 9.2 67 65 A K E -L 88 0B 127 21,-2.5 21,-1.8 -2,-0.1 -2,-0.0 -0.992 22.6-118.7-132.8 125.0 29.8 27.7 7.8 68 66 A E E +L 87 0B 152 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.216 42.3 154.4 -66.3 149.6 30.5 26.8 4.3 69 67 A N E - 0 0 67 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.413 15.8-175.8-131.2 -69.6 32.9 24.0 3.3 70 68 A G E + 0 0 49 16,-3.4 2,-0.2 1,-0.3 17,-0.1 0.407 24.9 149.5 85.5 -0.1 31.9 22.7 -0.1 71 69 A T E - 0 0 84 15,-0.2 15,-2.9 1,-0.1 -1,-0.3 -0.473 55.2-104.7 -64.8 132.4 34.4 20.0 -0.3 72 70 A F E -L 85 0B 153 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.307 44.6-179.6 -60.1 141.6 33.1 17.0 -2.4 73 71 A G E +L 84 0B 3 11,-1.9 11,-2.3 32,-0.1 2,-0.3 -0.994 7.7 173.4-143.8 144.0 32.0 14.0 -0.3 74 72 A A E -L 83 0B 35 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 12.2-160.2-151.7 153.5 30.7 10.6 -1.2 75 73 A I E -L 82 0B 20 7,-3.0 7,-2.7 -2,-0.3 2,-0.7 -0.984 5.5-162.3-141.1 124.8 29.8 7.4 0.6 76 74 A I E -L 81 0B 131 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.931 23.8-166.0-106.5 103.1 29.4 3.9 -0.9 77 75 A Y - 0 0 38 3,-2.5 2,-0.3 -2,-0.7 -41,-0.0 0.045 43.7 -78.6 -76.2-172.6 27.6 1.9 1.7 78 76 A G S S+ 0 0 84 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.034 131.3 20.5 -79.7 33.5 27.1 -1.9 1.9 79 77 A T S S- 0 0 108 1,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.213 129.5 -31.3-159.6 -54.6 24.4 -1.5 -0.8 80 78 A G - 0 0 15 30,-0.0 -3,-2.5 31,-0.0 -1,-0.5 -0.603 64.8 -86.0-154.3-148.6 24.7 1.8 -2.7 81 79 A S E -L 76 0B 42 -5,-0.3 29,-1.7 -2,-0.2 2,-0.3 -0.980 8.7-155.4-147.5 154.0 25.9 5.4 -2.3 82 80 A I E -LM 75 109B 0 -7,-2.7 -7,-3.0 -2,-0.3 2,-0.3 -0.943 18.6-169.4-119.7 150.3 25.2 9.0 -1.4 83 81 A T E +LM 74 108B 27 25,-3.0 25,-2.4 -2,-0.3 24,-1.5 -0.982 27.5 105.3-138.4 149.8 27.1 12.0 -2.8 84 82 A G E -LM 73 106B 5 -11,-2.3 -11,-1.9 -2,-0.3 2,-0.3 -0.843 58.2 -70.9-179.8-143.3 27.2 15.7 -1.9 85 83 A F E -LM 72 105B 49 20,-1.5 20,-2.9 -13,-0.3 -13,-0.2 -0.977 41.6 -99.6-141.6 154.4 29.5 18.2 -0.3 86 84 A F E + M 0 104B 11 -15,-2.9 -16,-3.4 -2,-0.3 -17,-0.6 -0.467 38.2 173.8 -71.3 143.8 30.7 19.0 3.2 87 85 A S E -LM 68 103B 0 16,-2.4 16,-2.4 -18,-0.2 2,-0.4 -0.919 22.1-131.5-138.6 163.7 29.2 21.7 5.3 88 86 A Q E +LM 67 102B 36 -21,-1.8 -21,-2.5 -2,-0.3 2,-0.3 -0.977 37.9 133.3-124.1 134.5 29.7 22.7 8.9 89 87 A D E - M 0 101B 0 12,-2.2 12,-2.6 -2,-0.4 2,-0.4 -0.952 55.8 -76.4-158.3-179.1 27.1 23.4 11.6 90 88 A S E - 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