==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-00 1EF0 . COMPND 2 MOLECULE: PI-SCEI ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.W.POLAND,M.-Q.XU,F.A.QUIOCHO . 819 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 56 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 1 2 2 2 0 2 0 2 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 13 7 11 2 5 1 2 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 7 3 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 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 1 699 A E 0 0 154 0, 0.0 2,-0.4 0, 0.0 79,-0.3 0.000 360.0 360.0 360.0 -33.5 58.2 -8.2 17.1 2 700 A G + 0 0 17 78,-0.2 2,-0.3 426,-0.1 405,-0.3 -0.772 360.0 153.0 -94.2 139.5 57.0 -4.7 18.1 3 1 A A - 0 0 0 -2,-0.4 75,-2.4 403,-0.2 403,-0.3 -0.967 32.1-120.4-157.5 173.6 59.2 -2.8 20.6 4 2 A F B -AB 77 405A 2 401,-3.8 401,-3.3 -2,-0.3 73,-0.3 -0.713 34.8 -89.8-119.1 168.2 60.4 0.5 22.0 5 3 A A > - 0 0 15 71,-2.2 3,-1.6 -2,-0.2 15,-0.2 -0.284 57.1 -85.3 -71.1 159.5 63.7 2.4 22.5 6 4 A K T 3 S+ 0 0 137 397,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.433 117.3 31.7 -64.4 139.6 65.7 2.0 25.7 7 5 A G T 3 S+ 0 0 32 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.294 76.1 148.9 95.1 -10.6 64.3 4.3 28.3 8 6 A T < - 0 0 17 -3,-1.6 12,-1.7 68,-0.1 2,-0.4 -0.429 46.5-131.2 -60.3 114.0 60.7 4.3 27.2 9 7 A N E -E 19 0B 78 -2,-0.4 411,-3.0 10,-0.2 412,-0.4 -0.554 22.8-162.9 -77.2 129.5 58.7 4.8 30.4 10 8 A V E -EF 18 419B 0 8,-3.2 8,-2.0 -2,-0.4 2,-0.6 -0.869 19.8-125.1-111.1 140.8 55.9 2.4 30.9 11 9 A L E -E 17 0B 2 407,-2.0 19,-2.7 -2,-0.4 407,-0.3 -0.752 31.7-143.7 -84.9 123.3 53.0 2.8 33.3 12 10 A M B > -G 29 0C 11 4,-3.3 3,-2.6 -2,-0.6 17,-0.3 -0.512 24.5-103.1 -87.9 160.0 52.9 -0.3 35.6 13 11 A A T 3 S+ 0 0 15 15,-3.4 16,-0.2 1,-0.3 -1,-0.1 0.708 121.3 51.6 -50.7 -29.6 49.7 -1.9 36.8 14 12 A D T 3 S- 0 0 88 14,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.314 123.2-101.8 -95.0 8.9 50.1 -0.4 40.3 15 13 A G S < S+ 0 0 9 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.359 82.8 125.8 90.6 -6.7 50.6 3.1 38.9 16 14 A S - 0 0 47 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.345 57.6-120.3 -79.2 168.4 54.3 3.2 39.3 17 15 A I E +E 11 0B 78 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.874 30.0 177.5-112.4 145.7 56.6 4.0 36.3 18 16 A E E -E 10 0B 72 -8,-2.0 -8,-3.2 -2,-0.4 402,-0.2 -0.997 31.9-113.5-149.9 140.6 59.3 1.8 34.9 19 17 A C E >> -E 9 0B 35 -2,-0.3 3,-1.4 -10,-0.2 4,-0.6 -0.487 34.8-118.6 -70.5 142.4 61.8 2.0 32.0 20 18 A I G >4 S+ 0 0 0 -12,-1.7 3,-0.7 1,-0.3 -1,-0.1 0.791 112.2 55.2 -53.8 -34.8 61.1 -0.7 29.3 21 19 A E G 34 S+ 0 0 30 1,-0.2 -1,-0.3 -16,-0.1 -15,-0.1 0.765 105.8 54.7 -71.6 -24.3 64.4 -2.4 29.8 22 20 A N G <4 S+ 0 0 94 -3,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.542 82.0 101.3 -87.7 -7.5 63.7 -2.9 33.5 23 21 A I << - 0 0 0 -3,-0.7 2,-0.2 -4,-0.6 3,-0.0 -0.585 58.2-160.7 -79.1 139.6 60.4 -4.6 33.2 24 22 A E > - 0 0 103 -2,-0.3 3,-1.9 1,-0.1 15,-0.2 -0.720 29.9 -80.1-117.1 168.4 60.6 -8.4 33.6 25 23 A V T 3 S+ 0 0 82 1,-0.3 15,-0.2 -2,-0.2 3,-0.1 -0.463 119.0 32.9 -65.2 136.1 58.5 -11.4 32.8 26 24 A G T 3 S+ 0 0 32 13,-2.7 -1,-0.3 1,-0.4 14,-0.1 0.078 90.7 122.5 103.1 -24.6 55.7 -11.6 35.3 27 25 A N < - 0 0 58 -3,-1.9 12,-2.6 12,-0.1 2,-0.5 -0.214 57.7-132.1 -65.8 164.1 55.5 -7.9 35.8 28 26 A K E - H 0 38C 101 10,-0.2 -15,-3.4 -3,-0.1 -14,-0.4 -0.968 17.9-166.4-127.5 117.8 52.1 -6.2 35.2 29 27 A V E -GH 12 37C 0 8,-2.2 8,-1.2 -2,-0.5 2,-0.3 -0.578 36.3 -86.3 -95.1 162.3 51.8 -3.1 33.1 30 28 A M E - H 0 36C 2 -19,-2.7 388,-2.4 388,-0.4 2,-0.3 -0.515 34.0-150.3 -77.1 130.1 48.7 -0.9 33.0 31 29 A G > - 0 0 1 4,-2.6 3,-3.1 -2,-0.3 386,-0.2 -0.668 31.9-114.9 -92.8 152.7 45.8 -1.6 30.6 32 30 A K T 3 S+ 0 0 69 1,-0.3 141,-0.3 -2,-0.3 -1,-0.1 0.741 117.7 76.9 -55.1 -18.3 43.7 1.2 29.3 33 31 A D T 3 S- 0 0 84 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.756 110.2-123.7 -57.9 -36.0 41.4 -0.9 31.4 34 32 A G S < S+ 0 0 13 -3,-3.1 141,-0.2 1,-0.6 -2,-0.1 0.292 86.3 107.6 94.5 -3.8 42.8 0.6 34.6 35 33 A R S S- 0 0 159 1,-0.1 -4,-2.6 139,-0.1 -1,-0.6 -0.606 78.1 -91.4-101.5 162.2 43.3 -3.2 35.1 36 34 A P E -H 30 0C 61 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.221 26.8-162.4 -75.0 162.5 46.6 -5.2 35.0 37 35 A R E -H 29 0C 22 -8,-1.2 -8,-2.2 -6,-0.1 2,-0.1 -0.847 19.0-133.4-149.6 108.3 48.2 -6.9 32.0 38 36 A E E -H 28 0C 83 -2,-0.3 372,-0.8 -10,-0.2 2,-0.6 -0.364 11.4-133.7 -67.0 133.3 50.9 -9.5 32.6 39 37 A V E +I 409 0D 0 -12,-2.6 -13,-2.7 -15,-0.2 370,-0.2 -0.791 27.6 173.0 -87.7 118.6 54.1 -9.4 30.6 40 38 A I E + 0 0 68 368,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.704 63.2 17.5-101.3 -23.4 54.8 -12.9 29.3 41 39 A K E -I 408 0D 113 367,-0.9 367,-2.3 -17,-0.1 -1,-0.3 -0.997 56.4-147.9-149.5 150.3 57.7 -12.3 27.0 42 40 A L - 0 0 44 -2,-0.3 365,-0.2 365,-0.2 -17,-0.1 -0.742 21.2-155.8-123.1 84.1 60.3 -9.6 26.4 43 41 A P - 0 0 10 0, 0.0 363,-2.1 0, 0.0 2,-0.2 -0.305 16.6-177.9 -59.0 133.0 61.4 -9.4 22.7 44 42 A R E +C 405 0A 94 361,-0.2 2,-0.3 -41,-0.1 361,-0.2 -0.775 20.4 98.0-127.2 172.0 64.8 -8.0 22.0 45 43 A G E -C 404 0A 32 359,-0.8 359,-2.3 -2,-0.2 2,-0.4 -0.945 60.7 -69.6 146.2-167.7 66.9 -7.2 19.0 46 44 A R E +C 403 0A 119 -2,-0.3 2,-0.3 357,-0.2 357,-0.2 -0.980 50.3 142.2-128.7 141.6 68.0 -4.5 16.5 47 45 A E E -C 402 0A 70 355,-1.8 355,-1.6 -2,-0.4 -2,-0.0 -0.972 57.9 -70.6-168.2 159.9 65.9 -2.7 13.9 48 46 A T E -C 401 0A 35 -2,-0.3 31,-2.3 353,-0.3 2,-0.3 -0.338 56.2-139.8 -55.5 139.9 65.4 0.7 12.3 49 47 A M E - D 0 78A 4 351,-1.9 350,-3.1 29,-0.2 2,-0.4 -0.830 12.4-156.6-108.7 147.8 63.7 2.9 15.0 50 48 A Y E -CD 398 77A 29 27,-4.1 27,-3.0 -2,-0.3 2,-0.4 -0.965 9.9-139.6-122.7 140.6 60.9 5.4 14.4 51 49 A S E -CD 397 76A 29 346,-2.7 346,-2.0 -2,-0.4 2,-0.5 -0.840 12.4-161.5-102.4 135.7 60.1 8.4 16.6 52 50 A V E +CD 396 75A 4 23,-3.0 23,-2.1 -2,-0.4 2,-0.3 -0.960 16.4 165.8-116.2 129.2 56.5 9.3 17.4 53 51 A V E -CD 395 74A 24 342,-1.7 342,-2.5 -2,-0.5 21,-0.2 -0.993 40.8-107.3-145.3 138.2 55.6 12.8 18.6 54 52 A Q E -C 394 0A 38 19,-2.8 2,-0.9 -2,-0.3 340,-0.3 -0.416 43.9-109.9 -61.6 132.1 52.3 14.7 19.0 55 53 A K + 0 0 113 338,-2.5 2,-0.3 -2,-0.1 338,-0.2 -0.521 67.7 133.7 -67.1 101.0 52.2 17.4 16.4 56 54 A S S S- 0 0 25 -2,-0.9 15,-0.1 2,-0.1 -3,-0.0 -0.866 70.8-106.9-141.7 177.2 52.6 20.6 18.5 57 55 A Q S S+ 0 0 127 -2,-0.3 -2,-0.1 0, 0.0 14,-0.0 0.409 101.0 72.5 -87.5 2.2 54.5 23.8 18.6 58 56 A H + 0 0 39 12,-0.1 -2,-0.1 10,-0.0 11,-0.0 0.376 40.3 127.1 -88.5-138.1 56.6 22.4 21.4 59 57 A R + 0 0 86 10,-0.5 3,-0.1 2,-0.1 10,-0.1 0.926 49.3 88.0 78.7 91.3 59.3 19.7 21.4 60 58 A A + 0 0 39 1,-0.2 2,-0.3 8,-0.1 3,-0.2 0.003 44.9 96.5-169.3 -71.8 62.5 20.9 23.0 61 59 A H + 0 0 54 8,-0.2 -1,-0.2 1,-0.2 10,-0.2 -0.178 48.0 117.5 -44.4 99.6 63.0 20.4 26.8 62 60 A K S S- 0 0 140 -2,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.459 91.6 -2.8-143.8 -17.5 65.0 17.2 26.8 63 61 A S S S+ 0 0 110 -3,-0.2 -2,-0.1 2,-0.2 3,-0.1 0.165 119.3 72.7-163.8 13.6 68.4 18.0 28.4 64 62 A D S S- 0 0 105 1,-0.4 2,-0.1 -4,-0.1 -3,-0.0 0.042 93.7 -48.5-109.3-143.6 68.1 21.8 29.0 65 63 A S - 0 0 74 1,-0.1 -1,-0.4 -2,-0.1 3,-0.2 -0.296 48.6-116.7 -87.0 178.1 66.2 24.0 31.4 66 64 A S S S+ 0 0 48 1,-0.2 -5,-0.1 -2,-0.1 -1,-0.1 0.463 90.8 94.8 -98.2 -2.9 62.5 23.6 32.1 67 65 A R S S+ 0 0 116 2,-0.1 2,-0.4 251,-0.0 -1,-0.2 0.893 70.7 80.7 -54.7 -41.5 61.4 27.0 30.8 68 66 A E S S- 0 0 108 -3,-0.2 -8,-0.1 1,-0.1 -7,-0.1 -0.531 92.0-118.6 -73.2 122.5 60.6 25.4 27.5 69 67 A V - 0 0 14 -2,-0.4 -10,-0.5 -10,-0.1 -8,-0.2 -0.424 33.9-143.7 -60.1 118.6 57.2 23.6 27.4 70 68 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 -8,-0.1 -0.447 8.8-124.6 -83.8 161.5 58.1 20.0 26.6 71 69 A E - 0 0 9 -10,-0.2 -17,-0.0 1,-0.1 -11,-0.0 -0.915 27.1-178.5-107.1 105.5 55.9 17.7 24.4 72 70 A L + 0 0 65 -2,-0.7 2,-1.5 1,-0.1 -1,-0.1 0.748 58.4 88.4 -77.4 -26.2 55.1 14.7 26.6 73 71 A L S S+ 0 0 0 -19,-0.1 -19,-2.8 349,-0.1 2,-0.3 -0.606 72.3 92.9 -79.1 94.6 53.1 12.7 24.0 74 72 A K E + D 0 53A 86 -2,-1.5 2,-0.3 -21,-0.2 -21,-0.2 -0.982 37.6 168.1-169.7 169.4 55.9 10.8 22.3 75 73 A F E - D 0 52A 14 -23,-2.1 -23,-3.0 -2,-0.3 2,-0.4 -0.887 29.6-119.2 176.4 155.9 57.9 7.6 22.2 76 74 A T E + D 0 51A 38 -2,-0.3 -71,-2.2 -25,-0.2 2,-0.3 -0.936 34.7 171.6-113.2 134.7 60.4 5.8 20.0 77 75 A C E -AD 4 50A 0 -27,-3.0 -27,-4.1 -2,-0.4 -73,-0.3 -0.863 34.4 -93.3-135.1 169.2 59.6 2.3 18.5 78 76 A N E > - D 0 49A 1 -75,-2.4 3,-1.6 -2,-0.3 73,-0.4 -0.400 46.2 -98.9 -81.5 161.8 61.0 -0.2 16.1 79 77 A A T 3 S+ 0 0 4 -31,-2.3 73,-2.4 1,-0.3 74,-0.3 0.750 120.7 45.5 -50.2 -32.2 59.9 -0.3 12.4 80 78 A T T 3 S+ 0 0 11 -79,-0.3 -1,-0.3 -32,-0.2 -78,-0.2 0.543 80.1 119.8 -94.9 -6.2 57.5 -3.1 12.9 81 79 A H < - 0 0 2 -3,-1.6 70,-2.1 -78,-0.2 2,-0.5 -0.345 66.2-122.9 -59.8 135.0 55.8 -1.9 16.1 82 80 A E E -J 150 0E 58 68,-0.3 344,-0.8 344,-0.1 2,-0.4 -0.722 17.4-142.8 -87.2 123.2 52.0 -1.4 15.6 83 81 A L E -J 149 0E 0 66,-2.2 66,-1.4 -2,-0.5 2,-0.9 -0.698 15.3-129.3 -83.9 130.7 50.7 2.0 16.3 84 82 A V E +J 148 0E 10 340,-0.5 84,-0.6 -2,-0.4 2,-0.3 -0.719 46.1 172.6 -82.7 109.2 47.2 2.1 17.9 85 83 A V E -JK 147 167E 1 62,-2.2 62,-1.5 -2,-0.9 2,-0.3 -0.753 30.6-158.2-123.2 167.5 45.3 4.5 15.6 86 84 A R E -JK 146 166E 31 80,-2.4 80,-3.1 -2,-0.3 60,-0.2 -0.992 6.0-175.5-140.3 142.3 42.0 6.0 14.8 87 85 A T E -J 145 0E 0 58,-1.5 58,-3.9 -2,-0.3 78,-0.2 -0.995 32.4-113.2-136.3 134.8 40.7 7.7 11.6 88 86 A P E -J 144 0E 37 0, 0.0 56,-0.3 0, 0.0 2,-0.2 -0.320 27.4-115.4 -68.4 153.5 37.3 9.2 11.4 89 87 A R - 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