==== 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 29-APR-11 2LCJ . COMPND 2 MOLECULE: PAB POLC INTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR L.JIAJING,K.V.MILLS,C.D.ALBRACHT . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 38.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 35 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 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 . 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 PARALLEL BRIDGES PER LADDER . 2 5 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 3 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 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 C 0 0 26 0, 0.0 89,-1.7 0, 0.0 90,-0.2 0.000 360.0 360.0 360.0 164.5 2.3 -1.0 -1.6 2 2 A F E -A 165 0A 1 163,-3.1 163,-2.3 87,-0.2 87,-0.2 -0.847 360.0 -91.3-126.5 162.1 1.3 -3.7 -4.1 3 3 A P E > -A 164 0A 0 0, 0.0 3,-1.7 0, 0.0 18,-0.4 -0.276 39.2-109.4 -67.2 161.8 2.7 -4.6 -7.5 4 4 A G T 3 S+ 0 0 0 159,-0.7 18,-1.6 1,-0.3 17,-0.5 0.807 118.0 72.9 -60.6 -26.2 1.0 -3.1 -10.5 5 5 A D T 3 S+ 0 0 73 15,-0.2 -1,-0.3 16,-0.1 2,-0.2 0.754 72.9 107.2 -55.7 -26.2 -0.2 -6.7 -11.1 6 6 A T S < S- 0 0 2 -3,-1.7 15,-3.0 14,-0.1 2,-0.4 -0.381 71.6-134.1 -64.8 124.0 -2.5 -6.2 -8.1 7 7 A R E -C 20 0B 90 13,-0.3 171,-2.6 -2,-0.2 2,-0.5 -0.633 18.6-158.2 -81.4 128.2 -6.1 -5.9 -9.3 8 8 A I E -CD 19 177B 0 11,-2.5 11,-2.5 -2,-0.4 2,-0.6 -0.932 11.6-135.7-112.5 130.3 -8.0 -3.1 -7.6 9 9 A L E +C 18 0B 1 167,-3.1 41,-1.6 -2,-0.5 167,-0.4 -0.755 40.7 152.8 -85.1 123.8 -11.8 -3.0 -7.5 10 10 A V E -CE 17 49B 0 7,-3.1 7,-2.4 -2,-0.6 2,-0.5 -0.749 41.3-115.7-136.4-179.4 -13.1 0.5 -8.3 11 11 A Q E -CE 16 48B 41 37,-2.5 37,-3.5 5,-0.3 2,-0.5 -0.977 25.9-174.8-130.2 119.6 -16.2 2.1 -9.7 12 12 A I E > S-CE 15 47B 0 3,-3.9 3,-1.1 -2,-0.5 35,-0.2 -0.963 73.5 -15.6-120.4 122.7 -16.1 4.0 -12.9 13 13 A D T 3 S- 0 0 95 33,-2.4 -1,-0.2 -2,-0.5 34,-0.1 0.842 131.6 -51.4 55.3 38.3 -19.0 5.9 -14.2 14 14 A G T 3 S+ 0 0 41 32,-0.3 -1,-0.3 1,-0.2 33,-0.1 0.712 119.9 115.3 71.2 22.2 -21.1 4.0 -11.8 15 15 A V E < -C 12 0B 19 -3,-1.1 -3,-3.9 120,-0.1 2,-0.3 -0.978 64.9-131.5-127.7 119.9 -19.7 0.7 -13.0 16 16 A P E -C 11 0B 30 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.522 29.8-178.3 -72.8 126.1 -17.5 -1.5 -10.8 17 17 A Q E -C 10 0B 36 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.7 -0.973 22.2-148.4-129.5 140.6 -14.4 -2.6 -12.5 18 18 A K E +C 9 0B 44 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.3 -0.897 37.3 151.1-110.4 101.5 -11.7 -4.8 -11.3 19 19 A I E -C 8 0B 27 -11,-2.5 -11,-2.5 -2,-0.7 5,-0.2 -0.996 47.3 -96.3-139.8 136.9 -8.4 -3.7 -12.8 20 20 A T E >> -C 7 0B 17 -2,-0.4 4,-4.3 -13,-0.3 3,-1.0 0.001 38.8-110.2 -40.0 149.0 -4.8 -3.8 -11.8 21 21 A L H 3> S+ 0 0 0 -15,-3.0 4,-1.8 -17,-0.5 -16,-0.1 0.736 122.1 54.7 -60.2 -25.1 -3.4 -0.9 -10.2 22 22 A R H 34 S+ 0 0 116 -18,-1.6 4,-0.3 -16,-0.2 -1,-0.3 0.781 116.3 38.6 -78.1 -28.0 -1.3 -0.3 -13.3 23 23 A E H X4 S+ 0 0 79 -3,-1.0 3,-0.9 -19,-0.4 4,-0.4 0.877 115.8 50.0 -85.3 -48.7 -4.6 -0.3 -15.2 24 24 A L H >< S+ 0 0 0 -4,-4.3 3,-2.7 1,-0.2 -3,-0.2 0.939 104.7 61.7 -50.9 -51.4 -6.7 1.5 -12.6 25 25 A Y G >< S+ 0 0 36 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.753 91.8 66.0 -45.4 -34.2 -3.9 4.2 -12.5 26 26 A E G < S+ 0 0 108 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.685 85.3 70.2 -69.7 -18.5 -4.5 4.9 -16.2 27 27 A L G < S+ 0 0 27 -3,-2.7 17,-2.4 -4,-0.4 18,-0.5 0.450 97.9 68.6 -77.7 1.9 -7.9 6.3 -15.4 28 28 A F B < -I 43 0C 1 -3,-1.6 2,-0.2 15,-0.3 14,-0.1 -0.774 60.5-179.6-119.0 160.9 -6.0 9.1 -13.8 29 29 A E + 0 0 115 13,-2.0 12,-0.5 -2,-0.3 -2,-0.0 -0.766 44.8 77.9-144.0-172.2 -3.9 11.9 -15.0 30 30 A D - 0 0 90 -2,-0.2 11,-2.5 10,-0.2 2,-0.5 0.988 59.7-159.6 63.4 82.4 -1.9 14.8 -13.7 31 31 A E E -J 40 0D 72 9,-0.2 2,-0.3 -3,-0.1 9,-0.3 -0.828 9.3-172.0 -99.2 129.4 1.2 13.2 -12.4 32 32 A R E -J 39 0D 101 7,-3.6 7,-3.2 -2,-0.5 2,-0.6 -0.856 21.3-127.6-118.3 152.8 3.3 15.0 -9.9 33 33 A Y E +J 38 0D 153 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.900 48.1 135.0-104.6 123.9 6.7 14.2 -8.5 34 34 A E E > +J 37 0D 86 3,-2.5 3,-2.4 -2,-0.6 -2,-0.1 -0.964 56.4 21.7-167.0 146.7 6.9 14.2 -4.8 35 35 A N T 3 S- 0 0 134 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.703 124.4 -70.7 62.5 18.6 8.2 12.1 -1.9 36 36 A M T 3 S+ 0 0 156 1,-0.3 -1,-0.3 34,-0.0 2,-0.2 0.642 123.3 84.0 71.1 15.9 10.6 10.7 -4.5 37 37 A V E < S-J 34 0D 36 -3,-2.4 -3,-2.5 33,-0.1 2,-0.4 -0.682 84.1 -98.2-130.5-173.3 7.7 8.9 -5.9 38 38 A Y E -JK 33 69D 71 31,-3.7 31,-2.1 -2,-0.2 2,-0.5 -0.918 26.3-165.2-118.8 140.3 4.9 9.8 -8.3 39 39 A V E -JK 32 68D 9 -7,-3.2 -7,-3.6 -2,-0.4 2,-0.5 -0.984 0.7-165.6-127.7 123.7 1.5 10.9 -7.5 40 40 A R E -JK 31 67D 41 27,-1.5 27,-2.8 -2,-0.5 2,-0.4 -0.936 14.7-179.3-111.2 127.0 -1.2 11.0 -10.0 41 41 A K + 0 0 66 -11,-2.5 -12,-0.2 -2,-0.5 25,-0.1 -0.955 40.5 38.5-132.4 147.3 -4.3 12.9 -9.0 42 42 A K S S- 0 0 128 -2,-0.4 -13,-2.0 22,-0.2 2,-0.2 0.747 70.7-120.7 84.2 109.9 -7.7 13.7 -10.6 43 43 A P B -I 28 0C 29 0, 0.0 -15,-0.3 0, 0.0 -16,-0.1 -0.508 7.5-137.2 -78.6 149.4 -9.4 11.0 -12.6 44 44 A K S S+ 0 0 96 -17,-2.4 2,-0.2 -2,-0.2 -16,-0.1 0.479 90.2 16.5 -85.7 -2.7 -10.3 11.7 -16.3 45 45 A R S S- 0 0 151 -18,-0.5 2,-1.1 2,-0.0 -33,-0.0 -0.702 114.8 -55.9-144.3-165.8 -13.7 10.2 -15.8 46 46 A E + 0 0 90 -2,-0.2 -33,-2.4 2,-0.0 2,-0.5 -0.761 64.9 172.7 -87.2 103.4 -15.8 9.3 -12.9 47 47 A I E +E 12 0B 1 -2,-1.1 17,-0.6 -35,-0.2 2,-0.3 -0.960 6.4 170.1-119.1 121.4 -13.6 7.1 -10.9 48 48 A K E -EF 11 63B 36 -37,-3.5 -37,-2.5 -2,-0.5 2,-0.4 -0.801 23.8-131.1-118.4 169.5 -14.5 5.9 -7.4 49 49 A V E -EF 10 62B 0 13,-3.2 13,-2.7 -2,-0.3 2,-0.6 -0.973 10.2-132.3-128.2 133.9 -12.8 3.3 -5.3 50 50 A Y E + F 0 61B 36 -41,-1.6 126,-1.2 -2,-0.4 11,-0.3 -0.748 37.1 166.5 -83.7 123.1 -14.3 0.4 -3.4 51 51 A S E - F 0 60B 2 9,-3.3 9,-2.4 -2,-0.6 2,-0.4 -0.758 28.1-120.0-127.7 174.6 -13.1 0.2 0.1 52 52 A I E - F 0 59B 0 7,-0.3 2,-0.7 -2,-0.2 7,-0.2 -0.956 11.4-132.9-125.3 141.9 -14.1 -1.7 3.3 53 53 A D E >> - F 0 58B 22 5,-3.2 4,-3.2 -2,-0.4 5,-0.6 -0.823 15.3-161.1 -90.9 115.3 -15.2 -0.4 6.6 54 54 A L T 45S+ 0 0 34 -2,-0.7 -1,-0.2 1,-0.2 49,-0.1 0.821 86.8 55.0 -67.2 -33.6 -13.2 -2.4 9.2 55 55 A E T 45S+ 0 0 162 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.801 125.7 20.1 -73.7 -30.9 -15.6 -1.6 12.0 56 56 A T T 45S- 0 0 63 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.626 96.4-129.9-113.2 -22.0 -18.6 -2.9 10.2 57 57 A G T <5 + 0 0 29 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.646 59.6 139.0 81.2 18.1 -17.0 -5.1 7.7 58 58 A K E < -F 53 0B 126 -5,-0.6 -5,-3.2 1,-0.0 2,-0.7 -0.595 58.0-114.3 -98.1 157.5 -19.0 -3.6 4.8 59 59 A V E +F 52 0B 42 -7,-0.2 -7,-0.3 -2,-0.2 2,-0.2 -0.792 41.1 176.2 -92.8 112.0 -18.0 -2.6 1.4 60 60 A V E -F 51 0B 61 -9,-2.4 -9,-3.3 -2,-0.7 2,-0.4 -0.697 22.7-131.3-110.7 165.5 -18.2 1.1 0.9 61 61 A L E +F 50 0B 66 -11,-0.3 2,-0.3 -2,-0.2 -11,-0.2 -0.951 29.3 167.3-120.7 140.3 -17.3 3.4 -2.0 62 62 A T E -F 49 0B 22 -13,-2.7 -13,-3.2 -2,-0.4 2,-0.2 -0.890 34.4 -93.0-143.5 171.6 -15.3 6.5 -1.8 63 63 A D E -F 48 0B 78 -2,-0.3 107,-1.7 -15,-0.2 2,-0.3 -0.487 41.9-110.3 -85.7 160.9 -13.4 9.1 -3.9 64 64 A I E -L 169 0E 24 -17,-0.6 105,-0.3 105,-0.2 -22,-0.2 -0.697 18.0-167.3 -97.5 143.1 -9.8 8.9 -4.7 65 65 A E E - 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