==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 09-MAR-12 4E2T . COMPND 2 MOLECULE: PHO RADA INTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR J.S.OEEMIG,D.ZHOU,T.KAJANDER,A.WLODAWER,H.IWAI . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 71.8 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 . 151 44.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 34 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 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 . 11 3 4 4 4 2 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 3 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 A 0 0 8 0, 0.0 89,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 159.7 -3.4 5.6 37.0 2 2 A F E -AB 89 152A 0 150,-3.1 150,-2.7 87,-0.2 87,-0.2 -0.811 360.0-107.9-107.0 146.4 -2.7 9.3 37.8 3 3 A A E > - B 0 151A 0 85,-2.9 3,-2.2 -2,-0.3 18,-0.3 -0.207 41.3-104.3 -62.8 156.0 -3.0 11.4 40.9 4 4 A R T 3 S+ 0 0 107 146,-0.7 18,-2.0 1,-0.3 19,-0.4 0.728 116.5 53.9 -56.7 -28.1 -5.8 13.9 41.0 5 5 A D T 3 S+ 0 0 84 15,-0.2 -1,-0.3 16,-0.2 2,-0.2 0.410 73.2 127.9 -93.1 6.6 -3.7 17.0 40.3 6 6 A T < - 0 0 8 -3,-2.2 15,-2.4 82,-0.1 2,-0.2 -0.449 60.6-128.4 -63.4 124.7 -2.1 15.6 37.1 7 7 A E E -C 20 0A 69 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.526 25.5-165.9 -77.0 141.2 -2.7 18.3 34.5 8 8 A V E -C 19 0A 3 11,-3.0 11,-1.8 -2,-0.2 2,-0.5 -0.936 13.1-148.3-127.2 148.6 -4.2 17.2 31.2 9 9 A Y E +C 18 0A 15 154,-0.5 42,-0.4 -2,-0.3 2,-0.3 -0.980 34.6 151.1-114.3 121.9 -4.5 19.1 27.8 10 10 A Y E -C 17 0A 0 7,-2.2 7,-2.8 -2,-0.5 2,-0.4 -0.980 34.9-135.0-146.5 161.6 -7.6 18.3 25.8 11 11 A E E -CD 16 49A 20 38,-2.6 38,-2.8 -2,-0.3 2,-0.4 -0.932 15.1-176.0-115.6 144.7 -9.9 19.7 23.2 12 12 A N E > S-CD 15 48A 28 3,-1.9 3,-1.1 -2,-0.4 36,-0.2 -0.948 76.3 -10.4-137.5 122.7 -13.7 19.6 23.2 13 13 A D T 3 S- 0 0 146 34,-1.0 35,-0.1 -2,-0.4 34,-0.1 0.486 131.4 -52.8 78.3 2.5 -15.8 21.0 20.3 14 14 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.385 114.9 103.9 96.9 0.3 -12.7 22.7 18.9 15 15 A V E < -C 12 0A 78 -3,-1.1 -3,-1.9 0, 0.0 -1,-0.3 -0.946 65.7-123.9-117.7 141.3 -11.4 24.6 22.0 16 16 A P E -C 11 0A 63 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.468 23.1-170.3 -81.2 152.2 -8.4 23.6 24.2 17 17 A H E -C 10 0A 48 -7,-2.8 -7,-2.2 -2,-0.1 2,-0.4 -0.981 9.1-166.6-135.0 144.3 -8.6 23.1 28.0 18 18 A M E +C 9 0A 110 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.950 34.4 127.2-131.9 117.1 -5.9 22.6 30.5 19 19 A E E -C 8 0A 32 -11,-1.8 -11,-3.0 -2,-0.4 -2,-0.1 -0.969 60.5 -74.5-156.8 166.5 -7.0 21.3 33.9 20 20 A S E > -C 7 0A 11 -2,-0.3 4,-2.5 -13,-0.3 -13,-0.2 -0.339 43.0-117.1 -64.6 154.8 -6.3 18.7 36.4 21 21 A I H > S+ 0 0 0 -15,-2.4 4,-2.8 -18,-0.3 5,-0.2 0.884 117.3 53.3 -61.4 -35.0 -7.6 15.2 35.7 22 22 A E H > S+ 0 0 36 -18,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.899 108.2 49.2 -67.1 -39.6 -9.9 15.5 38.8 23 23 A E H > S+ 0 0 112 -19,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.909 113.1 47.6 -62.2 -40.2 -11.3 18.8 37.5 24 24 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.931 111.5 50.2 -69.0 -44.3 -11.9 17.2 34.1 25 25 A Y H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.951 111.9 48.7 -52.5 -50.8 -13.6 14.2 35.8 26 26 A S H X S+ 0 0 61 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.859 108.8 53.3 -63.0 -37.4 -15.8 16.4 37.8 27 27 A K H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.959 113.7 41.7 -60.4 -50.2 -16.8 18.5 34.8 28 28 A Y H X S+ 0 0 6 -4,-2.4 4,-3.7 1,-0.2 5,-0.5 0.780 110.2 56.4 -75.0 -24.3 -17.9 15.4 32.8 29 29 A A H X S+ 0 0 24 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.899 109.5 48.0 -67.4 -38.0 -19.5 13.9 35.8 30 30 A S H < S+ 0 0 108 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.934 122.5 35.0 -63.6 -45.5 -21.6 17.1 36.0 31 31 A M H < S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.911 135.3 17.3 -75.3 -50.5 -22.3 16.9 32.3 32 32 A N H < S- 0 0 54 -4,-3.7 -3,-0.2 12,-0.2 -2,-0.1 0.528 99.7-113.2-103.7 -7.3 -22.6 13.1 31.7 33 33 A G < - 0 0 33 -4,-1.5 2,-0.4 -5,-0.5 -3,-0.1 0.155 28.1 -91.1 85.2 152.0 -23.2 11.3 35.0 34 34 A E - 0 0 84 9,-0.1 9,-0.2 -5,-0.1 -5,-0.0 -0.819 30.1-155.1-102.2 140.0 -21.0 8.8 37.0 35 35 A L E -E 42 0A 88 7,-2.8 7,-2.8 -2,-0.4 2,-0.2 -0.961 17.5-129.2-114.3 121.1 -21.2 5.0 36.5 36 36 A P E +E 41 0A 103 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.543 36.6 171.2 -66.5 132.4 -20.1 2.7 39.3 37 37 A F E > -E 40 0A 134 3,-2.6 3,-2.2 -2,-0.2 -2,-0.0 -0.946 51.3 -38.4-147.9 133.4 -17.7 0.2 38.0 38 38 A D T 3 S- 0 0 125 -2,-0.3 33,-0.0 1,-0.3 -1,-0.0 -0.343 123.6 -28.6 51.3-129.0 -15.6 -2.4 39.8 39 39 A N T 3 S+ 0 0 114 -3,-0.1 33,-0.3 2,-0.1 -1,-0.3 0.506 135.7 50.4 -90.8 -5.2 -14.3 -0.7 42.9 40 40 A G E < S-E 37 0A 2 -3,-2.2 -3,-2.6 31,-0.1 2,-0.3 -0.134 78.6-105.7-111.9-154.6 -14.5 2.6 41.1 41 41 A Y E -EF 36 70A 92 29,-2.2 29,-2.9 -5,-0.3 2,-0.4 -0.991 22.0-158.5-144.1 144.5 -16.5 5.1 39.1 42 42 A A E -EF 35 69A 12 -7,-2.8 -7,-2.8 -2,-0.3 27,-0.2 -0.958 2.1-157.7-128.5 147.1 -16.4 6.1 35.4 43 43 A V E - F 0 68A 0 25,-2.8 25,-1.9 -2,-0.4 2,-0.2 -0.981 19.5-127.9-122.9 137.8 -17.5 9.1 33.5 44 44 A P E - F 0 67A 26 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.574 18.7-148.5 -78.4 143.2 -18.2 9.2 29.8 45 45 A L E - 0 0 2 21,-2.4 2,-0.5 -2,-0.2 3,-0.0 -0.891 3.5-152.0-109.0 141.7 -16.6 11.8 27.6 46 46 A D E S- 0 0 91 -2,-0.4 3,-0.1 1,-0.2 20,-0.1 -0.958 73.8 -20.6-117.0 122.1 -18.3 13.3 24.5 47 47 A N E S+ 0 0 111 -2,-0.5 -34,-1.0 1,-0.2 2,-0.5 0.863 89.2 150.9 48.4 40.9 -16.1 14.7 21.7 48 48 A V E -DF 12 65A 0 17,-0.5 17,-2.3 -36,-0.2 2,-0.4 -0.869 23.9-170.1 -94.5 133.8 -13.1 15.1 23.9 49 49 A F E -DF 11 64A 56 -38,-2.8 -38,-2.6 -2,-0.5 2,-0.3 -0.956 9.7-170.8-124.7 147.0 -9.8 14.7 22.1 50 50 A V E - F 0 63A 2 13,-2.6 13,-2.4 -2,-0.4 2,-0.4 -0.839 28.9-109.2-124.1 164.3 -6.3 14.4 23.4 51 51 A Y E - F 0 62A 15 -42,-0.4 112,-2.3 112,-0.4 2,-0.3 -0.783 33.7-170.5 -92.7 143.7 -3.0 14.5 21.5 52 52 A T E - F 0 61A 9 9,-2.5 9,-2.0 -2,-0.4 2,-0.4 -0.939 14.1-132.7-133.4 152.8 -1.0 11.4 21.1 53 53 A L E - F 0 60A 3 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.859 7.1-143.6-107.2 136.9 2.5 10.8 19.8 54 54 A D > - 0 0 84 5,-2.5 4,-3.5 -2,-0.4 5,-0.5 -0.889 25.4-159.2 -92.5 109.1 3.6 8.1 17.3 55 55 A I T 4 S+ 0 0 23 -2,-0.9 -1,-0.2 1,-0.2 226,-0.1 0.832 82.1 49.5 -69.7 -33.8 6.9 7.6 19.1 56 56 A A T 4 S+ 0 0 47 1,-0.1 -1,-0.2 -3,-0.1 226,-0.1 0.915 124.8 27.2 -67.8 -47.8 8.7 6.0 16.2 57 57 A S T 4 S- 0 0 50 2,-0.1 -2,-0.2 221,-0.1 -1,-0.1 0.846 95.7-128.3 -82.5 -43.0 7.8 8.7 13.6 58 58 A G < + 0 0 7 -4,-3.5 74,-3.0 1,-0.3 2,-0.3 0.487 56.4 146.0 99.4 5.4 7.3 11.8 15.8 59 59 A E B -I 131 0B 84 -5,-0.5 -5,-2.5 72,-0.2 2,-0.4 -0.628 33.9-157.1 -76.4 132.1 3.8 12.5 14.3 60 60 A I E +F 53 0A 6 70,-3.0 2,-0.3 -2,-0.3 -7,-0.2 -0.915 19.2 167.4-108.0 133.7 1.3 14.0 16.7 61 61 A K E -F 52 0A 134 -9,-2.0 -9,-2.5 -2,-0.4 2,-0.3 -0.938 36.3-104.0-141.4 165.1 -2.4 13.6 16.1 62 62 A K E +F 51 0A 97 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.660 38.7 175.7 -84.0 145.0 -5.7 14.1 17.8 63 63 A T E -F 50 0A 10 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.1 -0.992 31.8-101.5-148.6 150.8 -7.5 11.0 19.0 64 64 A R E -F 49 0A 104 -2,-0.3 2,-0.5 -15,-0.2 94,-0.4 -0.387 21.4-150.8 -76.5 146.7 -10.7 10.6 21.0 65 65 A A E -F 48 0A 0 -17,-2.3 -17,-0.5 91,-0.2 91,-0.2 -0.979 10.9-172.4-113.1 129.4 -10.8 9.8 24.7 66 66 A S E + 0 0 10 89,-2.0 -21,-2.4 -2,-0.5 2,-0.3 0.747 55.9 2.4 -89.1 -39.0 -13.9 7.9 25.8 67 67 A Y E -FG 44 155A 101 88,-0.9 88,-3.0 -23,-0.2 2,-0.4 -0.980 47.4-144.6-147.1 158.4 -13.9 7.6 29.6 68 68 A I E -FG 43 154A 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.4 -0.998 23.5-166.9-122.8 132.6 -12.2 8.7 32.7 69 69 A Y E -FG 42 153A 34 84,-2.6 84,-2.8 -2,-0.4 2,-0.3 -0.924 4.0-172.2-116.2 143.2 -12.2 6.1 35.5 70 70 A R E +FG 41 152A 34 -29,-2.9 -29,-2.2 -2,-0.4 2,-0.3 -0.981 9.6 165.6-133.7 154.3 -11.3 6.7 39.1 71 71 A E E - G 0 151A 47 80,-1.7 80,-3.0 -2,-0.3 2,-0.3 -0.968 40.7 -93.5-156.1 160.2 -10.8 4.6 42.2 72 72 A K E + G 0 150A 111 -33,-0.3 2,-0.3 -2,-0.3 78,-0.2 -0.610 40.0 179.5 -79.4 139.5 -9.2 5.1 45.6 73 73 A V E - G 0 149A 34 76,-2.3 76,-1.8 -2,-0.3 75,-0.2 -0.996 22.6-151.0-141.1 142.9 -5.6 4.1 46.2 74 74 A E E S+ 0 0 127 -2,-0.3 73,-2.3 74,-0.2 74,-1.9 0.942 77.0 28.4 -80.6 -49.3 -3.5 4.3 49.3 75 75 A K E - G 0 146A 76 72,-0.2 2,-0.3 71,-0.2 -1,-0.2 -0.941 60.5-179.4-121.5 137.0 0.1 4.7 48.0 76 76 A L E - G 0 145A 1 69,-1.9 69,-2.9 -2,-0.4 2,-0.5 -0.786 27.9-118.4-122.3 166.0 1.5 6.3 44.8 77 77 A I E -HG 89 144A 9 12,-3.2 12,-2.3 -2,-0.3 2,-0.6 -0.925 23.0-152.6-101.0 131.9 5.0 6.8 43.4 78 78 A E E -HG 88 143A 31 65,-3.5 65,-1.9 -2,-0.5 2,-0.7 -0.919 5.7-165.9-103.4 123.4 6.1 10.4 42.9 79 79 A I E -HG 87 142A 0 8,-3.2 8,-2.8 -2,-0.6 2,-0.5 -0.929 9.1-164.1-107.0 110.1 8.6 10.9 40.1 80 80 A K E -HG 86 141A 80 61,-2.9 60,-3.1 -2,-0.7 61,-1.7 -0.855 7.3-147.7 -98.4 122.9 10.0 14.3 40.5 81 81 A L E > - G 0 139A 6 4,-3.0 3,-2.0 -2,-0.5 58,-0.2 -0.602 25.8-115.8 -85.5 154.4 11.9 15.7 37.5 82 82 A S T 3 S+ 0 0 74 56,-2.7 -1,-0.1 1,-0.3 57,-0.1 0.859 117.2 66.9 -55.3 -31.3 14.9 18.1 37.9 83 83 A S T 3 S- 0 0 77 55,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.752 119.6-111.1 -59.3 -23.4 12.6 20.5 36.1 84 84 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.157 77.4 128.1 108.5 -15.3 10.3 20.6 39.2 85 85 A Y - 0 0 48 -5,-0.1 -4,-3.0 81,-0.0 2,-0.4 -0.437 45.5-151.6 -69.7 143.4 7.4 18.7 37.5 86 86 A S E - H 0 80A 35 -6,-0.2 2,-0.6 -2,-0.1 -6,-0.2 -0.970 11.9-159.7-122.0 137.5 6.1 15.7 39.3 87 87 A L E - H 0 79A 7 -8,-2.8 -8,-3.2 -2,-0.4 2,-0.6 -0.973 13.4-170.9-107.7 116.1 4.4 12.7 37.8 88 88 A K E + H 0 78A 33 -2,-0.6 -85,-2.9 -10,-0.2 2,-0.3 -0.956 24.2 147.3-114.0 112.7 2.4 10.9 40.6 89 89 A V E -AH 2 77A 0 -12,-2.3 -12,-3.2 -2,-0.6 -87,-0.2 -0.920 52.5 -81.1-140.8 166.0 1.2 7.6 39.5 90 90 A T > - 0 0 26 -89,-2.0 3,-1.8 -2,-0.3 17,-0.4 -0.334 53.3-105.4 -68.1 154.8 0.3 4.1 40.6 91 91 A P T 3 S+ 0 0 59 0, 0.0 17,-2.7 0, 0.0 18,-0.2 0.707 117.9 44.3 -61.7 -26.3 3.4 1.8 40.9 92 92 A S T 3 S+ 0 0 98 15,-0.2 -2,-0.1 14,-0.2 3,-0.0 0.422 81.3 126.6 -95.1 0.3 2.8 -0.3 37.8 93 93 A H < - 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