==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-99 1DFA . COMPND 2 MOLECULE: PI-SCEI ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.HU,M.CRIST,X.DUAN,F.A.QUIOCHO,F.S.GIMBLE . 405 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 58.5 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 . 86 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 36 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 1 0 0 0 0 0 2 1 1 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 . 9 1 4 0 2 0 1 2 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 . 1 4 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 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 25 0, 0.0 75,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -22.0 -0.8 -4.3 32.6 2 2 A F B -A 75 0A 2 73,-0.3 384,-1.5 45,-0.0 73,-0.3 -0.990 360.0-112.4-132.9 140.8 0.3 -1.3 30.6 3 3 A A > - 0 0 20 71,-2.1 3,-1.1 -2,-0.4 2,-0.4 0.053 53.0 -79.0 -55.4 168.8 -0.9 2.3 30.4 4 4 A K T 3 S+ 0 0 144 380,-0.3 -1,-0.2 1,-0.2 381,-0.0 -0.659 117.4 32.4 -75.3 126.5 -2.5 3.5 27.1 5 5 A G T 3 S+ 0 0 32 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.357 73.4 150.5 110.2 -2.0 0.3 4.3 24.6 6 6 A T < - 0 0 18 -3,-1.1 12,-2.3 68,-0.1 2,-0.4 -0.460 39.5-138.7 -68.1 121.2 2.9 1.7 25.5 7 7 A N E -D 17 0B 72 -2,-0.3 394,-2.6 10,-0.2 395,-0.4 -0.654 20.4-169.9 -83.9 130.1 4.9 0.8 22.4 8 8 A V E -DE 16 400B 0 8,-2.3 8,-1.7 -2,-0.4 2,-0.5 -0.841 25.0-112.7-115.9 156.4 5.8 -2.9 22.0 9 9 A L E -D 15 0B 3 390,-2.0 19,-2.5 -2,-0.3 2,-0.3 -0.788 28.4-139.4 -90.2 131.2 8.2 -4.5 19.5 10 10 A M B > -F 27 0C 21 4,-4.4 3,-3.2 -2,-0.5 17,-0.3 -0.648 25.0-109.3 -92.8 146.4 6.6 -6.6 16.9 11 11 A A T 3 S+ 0 0 5 15,-2.7 16,-0.1 1,-0.3 -1,-0.1 0.518 119.8 56.1 -47.1 -16.1 8.2 -9.9 15.9 12 12 A D T 3 S- 0 0 108 14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.253 128.1 -98.7-102.5 14.2 9.1 -8.5 12.4 13 13 A G S < S+ 0 0 9 -3,-3.2 2,-0.2 1,-0.3 -2,-0.2 0.594 83.1 136.5 79.3 14.4 11.0 -5.6 14.2 14 14 A S - 0 0 61 -4,-0.3 -4,-4.4 249,-0.0 2,-0.4 -0.548 47.9-130.6 -90.2 152.1 7.9 -3.3 13.8 15 15 A I E +D 9 0B 79 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.887 29.8 162.1-111.9 138.0 6.5 -0.9 16.5 16 16 A E E -D 8 0B 75 -8,-1.7 -8,-2.3 -2,-0.4 385,-0.1 -0.991 40.4 -99.2-152.6 144.3 2.9 -0.5 17.7 17 17 A C E > -D 7 0B 31 -2,-0.3 3,-1.3 -10,-0.2 4,-0.3 -0.243 36.6-115.6 -60.7 147.1 0.9 0.9 20.7 18 18 A I G > S+ 0 0 1 -12,-2.3 3,-1.0 1,-0.3 -1,-0.1 0.889 114.9 52.3 -52.3 -37.8 -0.2 -1.6 23.2 19 19 A E G 3 S+ 0 0 45 1,-0.2 -1,-0.3 -13,-0.1 -12,-0.1 0.633 99.7 58.8 -75.1 -21.8 -3.8 -0.7 22.3 20 20 A N G < S+ 0 0 89 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.303 87.7 97.3 -95.1 14.6 -3.7 -1.2 18.5 21 21 A I < - 0 0 3 -3,-1.0 2,-0.3 -4,-0.3 3,-0.0 -0.726 50.7-176.6-101.1 150.9 -2.6 -4.8 18.8 22 22 A E > - 0 0 128 -2,-0.3 3,-2.0 1,-0.1 15,-0.2 -0.932 40.2 -65.4-139.9 164.2 -5.0 -7.8 18.6 23 23 A V T 3 S+ 0 0 83 -2,-0.3 15,-0.2 1,-0.2 3,-0.1 -0.112 119.4 33.7 -47.6 142.3 -4.9 -11.6 18.9 24 24 A G T 3 S+ 0 0 55 13,-2.8 -1,-0.2 1,-0.5 14,-0.1 -0.038 87.0 119.9 98.1 -34.4 -2.8 -13.3 16.2 25 25 A N < - 0 0 54 -3,-2.0 12,-2.2 12,-0.1 2,-0.6 -0.366 61.7-134.9 -60.2 144.4 -0.4 -10.3 16.1 26 26 A K - 0 0 112 10,-0.2 -15,-2.7 -3,-0.1 -14,-0.3 -0.930 16.0-159.1-113.9 117.4 3.1 -11.5 16.9 27 27 A V B -F 10 0C 0 -2,-0.6 8,-2.3 -17,-0.3 2,-0.5 -0.272 32.2 -91.9 -83.2 173.7 5.3 -9.6 19.3 28 28 A M B -G 34 0D 1 -19,-2.5 371,-2.4 371,-0.4 -19,-0.2 -0.798 39.8-152.2 -92.2 124.9 9.1 -9.9 19.5 29 29 A G > - 0 0 0 4,-2.3 3,-1.5 -2,-0.5 369,-0.2 -0.385 32.8 -95.8 -85.9 174.4 10.5 -12.5 22.0 30 30 A K T 3 S+ 0 0 59 1,-0.3 137,-0.3 367,-0.2 368,-0.1 0.831 121.3 51.7 -54.5 -40.3 13.9 -12.5 23.8 31 31 A D T 3 S- 0 0 58 2,-0.2 -1,-0.3 135,-0.1 135,-0.0 0.400 121.2 -99.7 -81.3 -0.3 15.6 -14.7 21.2 32 32 A G S < S+ 0 0 16 -3,-1.5 137,-0.2 1,-0.4 -2,-0.1 0.567 90.9 119.8 88.0 9.2 14.6 -12.6 18.1 33 33 A R - 0 0 155 135,-0.1 -4,-2.3 1,-0.1 -1,-0.4 -0.817 68.2 -96.2-108.0 147.4 11.7 -15.1 17.5 34 34 A P B -G 28 0D 63 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.243 27.4-153.9 -64.6 146.1 7.9 -14.3 17.4 35 35 A R - 0 0 23 -8,-2.3 2,-0.5 -6,-0.1 -24,-0.2 -0.671 19.7-119.6-109.6 174.2 5.4 -14.6 20.3 36 36 A E - 0 0 59 -2,-0.2 2,-0.7 -10,-0.2 355,-0.6 -0.946 9.0-142.5-127.9 117.2 1.7 -15.1 19.8 37 37 A V B +H 390 0E 1 -12,-2.2 -13,-2.8 -2,-0.5 353,-0.2 -0.637 29.3 163.0 -79.1 114.8 -1.0 -12.8 21.1 38 38 A I + 0 0 87 351,-3.2 2,-0.3 -2,-0.7 -1,-0.1 0.260 62.9 12.5-115.6 12.4 -3.9 -15.0 22.3 39 39 A K - 0 0 117 350,-0.4 350,-2.2 2,-0.0 -1,-0.2 -0.938 53.6-147.0-179.4 154.7 -5.8 -12.5 24.4 40 40 A L - 0 0 55 -2,-0.3 348,-0.2 348,-0.2 2,-0.1 -0.815 25.3-166.8-138.3 92.4 -6.1 -8.7 25.2 41 41 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.467 5.8-173.1 -81.3 153.5 -7.1 -8.0 28.9 42 42 A R + 0 0 98 -2,-0.1 2,-0.3 -41,-0.1 344,-0.2 -0.742 16.9 122.9-137.9 179.4 -8.2 -4.7 30.3 43 43 A G E -B 385 0A 30 342,-0.9 342,-2.4 -2,-0.2 2,-0.3 -0.977 41.8 -99.3 157.9-165.5 -9.1 -2.9 33.6 44 44 A R E +B 384 0A 139 -2,-0.3 2,-0.3 340,-0.3 340,-0.2 -0.991 48.4 108.1-155.5 140.8 -8.4 0.0 35.8 45 45 A E E -B 383 0A 46 338,-1.2 338,-1.4 -2,-0.3 2,-0.1 -0.974 69.6 -24.3 179.4-164.6 -6.4 0.6 39.1 46 46 A T E -B 382 0A 33 -2,-0.3 31,-2.5 336,-0.2 2,-0.3 -0.468 61.9-158.8 -64.2 137.8 -3.3 2.1 40.6 47 47 A M E - C 0 76A 4 334,-1.0 333,-3.0 29,-0.2 2,-0.4 -0.912 1.7-145.1-118.6 151.2 -0.7 2.4 37.8 48 48 A Y E -BC 379 75A 25 27,-2.3 27,-1.6 -2,-0.3 2,-0.6 -0.960 8.2-135.2-123.6 145.6 3.0 2.7 38.4 49 49 A S E -BC 378 74A 37 329,-2.1 329,-1.8 -2,-0.4 2,-0.5 -0.819 20.1-167.2 -95.1 117.6 5.8 4.6 36.6 50 50 A V E +BC 377 73A 1 23,-3.1 23,-2.4 -2,-0.6 2,-0.3 -0.961 17.5 162.8-108.3 125.1 8.9 2.4 36.1 51 51 A V E -BC 376 72A 30 325,-2.0 325,-2.7 -2,-0.5 21,-0.2 -0.999 42.2-101.8-142.2 142.4 12.0 4.4 35.0 52 52 A Q E -B 375 0A 39 19,-1.9 2,-0.3 -2,-0.3 323,-0.3 -0.379 43.6-109.6 -63.2 140.5 15.8 3.6 35.0 53 53 A K + 0 0 71 321,-2.6 2,-0.3 2,-0.0 321,-0.2 -0.575 48.9 173.9 -72.8 127.1 17.7 5.3 37.9 54 54 A S - 0 0 62 -2,-0.3 15,-0.0 2,-0.1 262,-0.0 -0.999 42.0-122.7-141.6 148.2 19.9 8.1 36.5 55 55 A Q S S+ 0 0 193 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 0.541 82.4 3.7 -64.1 -9.9 22.1 10.9 37.9 56 56 A H S S+ 0 0 66 11,-0.0 -2,-0.1 2,-0.0 262,-0.0 -0.510 80.7 17.2-148.6-158.7 20.3 13.7 36.2 57 57 A R + 0 0 86 -2,-0.1 -3,-0.1 1,-0.1 9,-0.0 0.722 36.6 127.5 12.9-156.9 17.7 15.7 34.2 58 58 A A + 0 0 68 9,-0.3 2,-0.2 1,-0.2 3,-0.1 0.851 28.0 176.5 80.6 48.7 14.2 15.1 32.8 59 59 A H - 0 0 121 1,-0.1 -1,-0.2 0, 0.0 7,-0.1 -0.559 48.2 -84.5 -80.1 141.5 11.9 18.0 33.9 60 60 A K S S+ 0 0 192 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.225 79.1 113.1 -46.5 112.6 8.3 17.8 32.5 61 61 A S - 0 0 52 -2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.977 67.8-117.6-176.0 168.3 8.1 19.4 29.0 62 62 A D S S+ 0 0 167 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 0.405 82.2 93.1 -97.5 -3.4 7.6 19.0 25.3 63 63 A S > - 0 0 74 1,-0.1 3,-0.5 0, 0.0 -2,-0.0 -0.831 67.6-144.4 -97.5 129.0 11.1 20.1 24.1 64 64 A S T 3 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.080 71.9 106.5 -79.9 25.5 13.6 17.2 23.6 65 65 A R T 3 + 0 0 132 2,-0.1 -1,-0.2 233,-0.0 -3,-0.0 0.968 61.6 70.7 -66.9 -60.9 16.5 19.3 24.8 66 66 A E S < S- 0 0 56 -3,-0.5 0, 0.0 -7,-0.1 0, 0.0 -0.337 100.9-101.1 -61.5 137.2 17.0 17.7 28.2 67 67 A V - 0 0 11 1,-0.1 -9,-0.3 250,-0.0 2,-0.2 -0.541 46.4-148.7 -68.2 127.5 18.5 14.2 28.0 68 68 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.580 12.4-117.4 -94.2 156.7 15.6 11.7 28.4 69 69 A E - 0 0 28 -2,-0.2 3,-0.1 1,-0.1 -15,-0.0 -0.871 24.2-179.2 -98.4 120.2 15.3 8.1 29.9 70 70 A L + 0 0 46 -2,-0.6 2,-1.0 1,-0.2 -1,-0.1 0.400 68.1 80.9 -97.1 -3.3 14.3 5.6 27.3 71 71 A L S S+ 0 0 1 -19,-0.1 -19,-1.9 332,-0.1 2,-0.3 -0.697 75.5 112.5-101.7 74.3 14.3 2.7 29.7 72 72 A K E + C 0 51A 108 -2,-1.0 2,-0.3 -21,-0.2 -21,-0.2 -0.995 34.4 162.9-152.4 141.8 10.8 3.5 31.1 73 73 A F E - C 0 50A 10 -23,-2.4 -23,-3.1 -2,-0.3 2,-0.5 -0.991 29.1-130.6-154.2 157.0 7.2 2.1 31.2 74 74 A T E + C 0 49A 38 -2,-0.3 -71,-2.1 -25,-0.2 -25,-0.2 -0.971 34.8 161.6-118.0 120.5 3.9 2.4 33.0 75 75 A C E -AC 2 48A 0 -27,-1.6 -27,-2.3 -2,-0.5 -73,-0.3 -0.566 37.8 -90.2-119.8-175.5 2.3 -0.8 34.1 76 76 A N E > - C 0 47A 1 -75,-0.9 3,-3.1 -29,-0.3 69,-0.4 -0.701 40.3 -97.4-104.6 159.5 -0.5 -1.6 36.6 77 77 A A T 3 S+ 0 0 5 -31,-2.5 69,-2.4 1,-0.3 70,-0.3 0.753 122.6 46.7 -39.3 -42.4 -0.2 -2.5 40.4 78 78 A T T 3 S+ 0 0 50 -32,-0.2 -1,-0.3 67,-0.2 2,-0.2 0.223 82.4 132.6 -90.9 16.5 -0.4 -6.2 39.8 79 79 A H < - 0 0 1 -3,-3.1 66,-2.3 1,-0.1 2,-0.8 -0.515 55.0-133.6 -73.0 135.0 2.1 -6.2 37.0 80 80 A E E -I 144 0F 72 328,-0.4 327,-0.6 64,-0.2 2,-0.3 -0.817 17.9-158.8 -92.0 104.6 4.8 -8.9 37.3 81 81 A L E -I 143 0F 2 62,-2.8 62,-1.8 -2,-0.8 2,-0.7 -0.629 16.5-132.1 -81.8 134.0 8.3 -7.4 36.7 82 82 A V E +I 142 0F 19 323,-0.4 80,-0.4 -2,-0.3 2,-0.2 -0.905 44.4 167.8 -90.5 112.6 10.9 -10.0 35.7 83 83 A V E -I 141 0F 3 58,-2.3 58,-2.1 -2,-0.7 2,-0.3 -0.744 29.2-148.9-124.1 169.4 13.8 -9.0 38.0 84 84 A R E -IJ 140 160F 46 76,-1.8 76,-2.2 -2,-0.2 56,-0.2 -0.987 9.0-174.0-140.6 142.8 17.2 -10.3 39.3 85 85 A T E -I 139 0F 0 54,-1.4 54,-2.9 -2,-0.3 74,-0.1 -0.994 32.2-106.0-136.5 140.2 19.0 -9.8 42.6 86 86 A P E -I 138 0F 47 0, 0.0 52,-0.3 0, 0.0 2,-0.1 -0.361 25.4-121.9 -70.5 146.1 22.5 -11.0 43.5 87 87 A R + 0 0 91 50,-2.7 2,-0.3 -2,-0.1 21,-0.1 -0.485 45.4 177.1 -73.2 156.0 23.2 -14.0 45.7 88 88 A S E +K 107 0G 55 19,-0.5 19,-2.0 -2,-0.1 2,-0.3 -0.887 22.5 177.7-171.5 134.1 25.3 -12.7 48.6 89 89 A V E -K 106 0G 64 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.975 9.9-169.2-139.1 153.1 27.0 -13.7 52.0 90 90 A R E +K 105 0G 151 15,-1.1 15,-2.3 -2,-0.3 3,-0.1 -0.951 60.9 14.2-157.3 134.5 29.2 -11.9 54.5 91 91 A R S S+ 0 0 145 -2,-0.3 2,-0.3 13,-0.2 13,-0.1 0.377 124.0 35.0 81.2 14.5 31.4 -12.5 57.6 92 92 A L S S- 0 0 30 13,-0.1 13,-0.1 1,-0.1 -1,-0.1 -0.935 78.4-122.8 179.4 155.2 31.3 -16.2 56.8 93 93 A S S S- 0 0 73 -2,-0.3 -3,-0.1 -3,-0.1 -1,-0.1 0.512 83.9 -43.2 -77.9-128.7 31.3 -18.5 53.7 94 94 A R S S- 0 0 233 1,-0.2 2,-0.1 -5,-0.1 -2,-0.0 0.991 132.2 -26.4 -63.7 -53.5 28.4 -21.0 53.6 95 95 A T S S+ 0 0 64 34,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.504 76.2 160.9-168.3 87.4 29.1 -21.5 57.4 96 96 A I - 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