==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-MAR-11 3RB5 . COMPND 2 MOLECULE: NA/CA EXCHANGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.WU,L.ZHENG . 481 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 61 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1 1 2 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 . 3 3 1 1 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 PARALLEL BRIDGES PER LADDER . 3 4 3 2 3 9 2 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 . 2 3 3 2 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 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 1 443 A R 0 0 113 0, 0.0 24,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.4 13.3 4.5 -32.0 2 444 A M E +Ab 24 96A 0 93,-1.6 95,-1.7 22,-0.3 2,-0.3 -0.980 360.0 155.2-135.5 124.7 15.1 6.7 -29.4 3 445 A Y E -A 23 0A 38 20,-2.0 20,-2.7 -2,-0.4 97,-0.2 -0.998 40.9 -91.9-152.1 152.7 13.4 8.3 -26.4 4 446 A F E -A 22 0A 1 95,-1.8 3,-0.3 -2,-0.3 18,-0.3 -0.163 34.0-159.0 -56.6 149.2 14.0 9.7 -22.9 5 447 A E S S+ 0 0 84 16,-2.8 2,-0.2 1,-0.8 -2,-0.0 -0.578 87.9 36.4-177.6 115.5 13.7 7.5 -19.8 6 448 A P S S- 0 0 57 0, 0.0 -1,-0.8 0, 0.0 15,-0.2 0.502 81.2-173.2 -59.5 144.2 13.2 8.7 -17.1 7 449 A G S S+ 0 0 23 -3,-0.3 96,-1.8 1,-0.2 2,-0.3 0.341 73.7 41.6 -92.6 4.1 11.2 11.2 -19.1 8 450 A H E -d 103 0B 98 94,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.896 65.6-176.5-156.2 120.8 10.8 13.1 -15.8 9 451 A Y E -d 104 0B 23 94,-1.9 96,-1.5 -2,-0.3 2,-0.4 -0.958 11.5-156.0-119.3 134.6 13.3 13.9 -13.1 10 452 A T E -d 105 0B 92 -2,-0.4 2,-0.4 94,-0.2 96,-0.1 -0.939 23.8-174.7-109.9 138.4 12.6 15.7 -9.9 11 453 A V E -d 106 0B 12 94,-1.9 96,-2.0 -2,-0.4 2,-0.3 -0.989 27.7-122.4-147.6 131.9 15.7 17.3 -8.4 12 454 A M E > -d 107 0B 74 -2,-0.4 3,-3.6 94,-0.2 4,-0.2 -0.574 28.5-126.5 -77.0 131.3 16.8 19.3 -5.3 13 455 A E T 3 S+ 0 0 0 94,-2.1 3,-0.4 1,-0.3 -1,-0.1 0.779 113.7 50.4 -48.5 -26.7 18.3 22.7 -6.0 14 456 A N T 3 S+ 0 0 80 93,-0.2 -1,-0.3 1,-0.2 59,-0.1 0.214 75.4 105.6 -96.4 13.9 21.3 21.5 -4.0 15 457 A C S < S- 0 0 49 -3,-3.6 2,-2.8 1,-0.2 -1,-0.2 0.465 76.2-139.9 -75.5 0.2 21.8 18.2 -5.9 16 458 A G - 0 0 43 -3,-0.4 2,-0.3 55,-0.3 55,-0.2 -0.144 68.2 -32.8 71.3 -45.5 24.8 19.6 -7.7 17 459 A E - 0 0 82 -2,-2.8 2,-0.3 53,-0.3 53,-0.2 -0.951 62.7-146.3 177.5 178.7 23.6 17.9 -10.8 18 460 A F E -H 69 0C 23 51,-1.9 51,-2.4 -2,-0.3 2,-0.2 -0.983 23.2 -96.4-165.0 156.9 21.8 14.7 -12.0 19 461 A E E -H 68 0C 109 -2,-0.3 2,-0.5 49,-0.2 49,-0.2 -0.522 21.2-163.1 -78.7 138.5 21.6 12.1 -14.8 20 462 A V - 0 0 0 47,-1.0 2,-0.3 -2,-0.2 -13,-0.1 -0.984 20.8-150.1-117.8 116.4 19.1 12.4 -17.6 21 463 A R - 0 0 50 -2,-0.5 -16,-2.8 -15,-0.2 2,-0.3 -0.652 11.5-166.0 -97.2 142.3 18.8 9.0 -19.2 22 464 A V E -AC 4 65A 0 43,-3.5 43,-1.7 -2,-0.3 2,-0.3 -0.954 7.8-146.9-127.4 147.9 18.0 8.3 -22.8 23 465 A V E -AC 3 64A 12 -20,-2.7 -20,-2.0 -2,-0.3 2,-0.6 -0.867 6.0-153.3-119.1 144.1 17.0 5.0 -24.5 24 466 A R E +A 2 0A 5 39,-1.5 -22,-0.3 -2,-0.3 2,-0.1 -0.886 20.3 178.0-116.1 100.4 17.5 3.4 -28.0 25 467 A R + 0 0 156 -24,-2.1 2,-0.0 -2,-0.6 39,-0.0 -0.237 49.1 26.8 -82.2-178.6 14.8 0.9 -29.1 26 468 A G S S+ 0 0 33 1,-0.1 2,-1.2 -2,-0.1 -2,-0.1 -0.314 113.4 18.5 70.8-145.0 14.7 -0.9 -32.4 27 469 A D + 0 0 106 1,-0.2 3,-0.4 66,-0.2 -1,-0.1 -0.479 59.8 163.1 -71.8 95.6 17.9 -1.6 -34.5 28 470 A I + 0 0 53 -2,-1.2 34,-0.2 1,-0.2 33,-0.2 0.956 49.9 93.9 -71.4 -53.3 20.8 -1.3 -32.1 29 471 A S S S+ 0 0 91 31,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.455 83.7 52.9 -12.9 -38.7 23.4 -3.2 -34.2 30 472 A T S S- 0 0 78 -3,-0.4 31,-0.2 30,-0.1 28,-0.0 -0.853 100.2 -89.5-114.3 143.6 24.7 0.0 -35.8 31 473 A Y + 0 0 103 -2,-0.3 2,-0.3 29,-0.1 62,-0.2 -0.186 51.4 174.0 -46.0 136.3 26.0 3.2 -34.1 32 474 A A E +E 58 0B 4 26,-2.8 26,-4.1 30,-0.2 2,-0.3 -0.880 6.3 176.0-139.8 173.1 23.2 5.8 -33.6 33 475 A S E -E 57 0B 13 -2,-0.3 58,-2.0 24,-0.3 2,-0.3 -0.957 9.5-168.3-164.8 174.0 23.0 9.1 -31.8 34 476 A V E -E 56 0B 0 22,-0.9 22,-3.2 -2,-0.3 2,-0.2 -0.933 21.2-117.6-172.4 154.3 20.8 12.1 -31.1 35 477 A E E -EF 55 88B 47 53,-1.6 53,-1.5 -2,-0.3 2,-0.3 -0.636 18.6-162.5 -99.4 159.9 21.1 15.6 -29.7 36 478 A Y E -EF 54 87B 6 18,-1.4 18,-1.5 51,-0.2 2,-0.4 -0.996 2.9-169.9-136.6 143.7 19.6 17.2 -26.6 37 479 A E E -EF 53 86B 21 49,-1.3 49,-2.0 -2,-0.3 16,-0.2 -0.969 19.8-136.1-134.7 121.3 19.2 20.9 -25.6 38 480 A T E - F 0 85B 9 14,-1.7 2,-0.3 -2,-0.4 14,-0.3 -0.517 31.7-174.6 -62.1 137.6 18.1 22.2 -22.2 39 481 A Q E - F 0 84B 88 45,-2.6 45,-2.9 -2,-0.2 -2,-0.0 -0.993 24.4 -92.6-142.6 150.4 15.6 24.9 -22.7 40 482 A D E + F 0 83B 88 -2,-0.3 43,-0.2 43,-0.2 4,-0.2 -0.177 40.6 157.5 -68.1 145.8 13.8 27.3 -20.3 41 483 A G S S- 0 0 31 2,-1.5 42,-0.2 41,-1.2 -1,-0.1 -0.126 81.2 -46.4-121.1-128.7 10.5 26.9 -18.5 42 484 A T S S+ 0 0 89 -2,-0.1 2,-0.5 2,-0.1 41,-0.2 0.801 129.4 79.5 -73.3 -29.3 9.8 28.8 -15.3 43 485 A A S S- 0 0 0 39,-3.6 -2,-1.5 5,-0.1 2,-0.5 -0.696 85.9-134.7 -80.5 125.4 13.3 27.8 -14.3 44 486 A S >>> - 0 0 45 -2,-0.5 4,-4.0 -4,-0.2 5,-1.4 -0.695 5.6-130.9 -91.4 125.4 15.9 30.0 -16.0 45 487 A A B 345S+i 49 0D 35 -2,-0.5 5,-0.2 1,-0.2 -5,-0.1 -0.654 105.8 34.3 -65.1 117.0 19.0 28.7 -17.7 46 488 A G T 345S+ 0 0 61 3,-3.3 -1,-0.2 -2,-0.6 4,-0.1 -0.364 128.0 36.3 123.0 -51.7 21.5 31.0 -16.1 47 489 A T T <45S+ 0 0 84 -3,-0.7 -2,-0.2 25,-0.0 3,-0.1 0.766 130.6 21.7-102.6 -33.1 19.8 31.3 -12.7 48 490 A D T <5S- 0 0 1 -4,-4.0 24,-1.9 1,-0.4 2,-0.3 0.743 130.5 -9.3-111.7 -32.8 18.3 27.9 -12.0 49 491 A F B - 0 0 60 0, 0.0 3,-1.8 0, 0.0 -29,-0.1 -0.113 48.9 -68.9 -51.8 163.5 27.9 2.8 -30.4 60 502 A P T 3 S+ 0 0 83 0, 0.0 -31,-0.2 0, 0.0 -29,-0.1 -0.420 127.5 26.4 -56.2 128.7 26.7 -0.5 -31.8 61 503 A G T 3 S+ 0 0 62 -33,-0.2 2,-0.5 -31,-0.2 -32,-0.1 0.521 95.0 108.0 93.2 7.0 25.2 -2.4 -28.9 62 504 A V < + 0 0 33 -3,-1.8 -1,-0.2 -34,-0.2 -30,-0.2 -0.961 34.4 175.0-122.9 120.6 24.1 0.5 -26.6 63 505 A D + 0 0 84 -2,-0.5 -39,-1.5 -3,-0.1 2,-0.3 -0.217 64.9 46.1-114.6 39.0 20.5 1.5 -26.1 64 506 A E E -C 23 0A 50 -41,-0.3 2,-0.3 -62,-0.0 -41,-0.2 -0.848 49.5-178.0-169.7 144.4 20.9 4.1 -23.5 65 507 A Q E -C 22 0A 73 -43,-1.7 -43,-3.5 -2,-0.3 2,-0.2 -0.979 11.1-161.3-133.1 145.6 23.0 7.2 -22.7 66 508 A R - 0 0 115 -2,-0.3 -45,-0.2 -45,-0.3 2,-0.2 -0.428 8.9-165.2-103.2-171.5 22.8 9.3 -19.5 67 509 A F - 0 0 4 -2,-0.2 -47,-1.0 -11,-0.0 2,-0.1 -0.630 21.6-112.5 178.8 128.1 24.1 12.8 -19.2 68 510 A R E -H 19 0C 128 -49,-0.2 2,-0.4 -2,-0.2 -49,-0.2 -0.362 25.8-170.4 -70.1 127.9 24.8 15.2 -16.4 69 511 A I E -H 18 0C 1 -51,-2.4 -51,-1.9 -2,-0.1 2,-0.6 -0.963 19.4-133.3-110.1 138.1 22.8 18.4 -16.0 70 512 A E - 0 0 109 -2,-0.4 -20,-1.5 -20,-0.2 2,-0.5 -0.815 11.5-157.5 -97.0 121.3 23.9 21.0 -13.5 71 513 A V B -J 49 0D 6 -2,-0.6 -55,-0.3 -55,-0.2 2,-0.3 -0.853 20.0-133.6 -93.8 124.2 21.3 22.4 -11.1 72 514 A I - 0 0 52 -24,-1.9 2,-0.3 -2,-0.5 -57,-0.1 -0.593 16.2-149.2 -82.2 139.0 22.4 25.8 -9.8 73 515 A D + 0 0 77 -2,-0.3 2,-0.3 -59,-0.1 -59,-0.1 -0.831 24.8 151.0-112.3 145.9 22.1 26.6 -6.0 74 516 A D - 0 0 48 -2,-0.3 35,-0.2 2,-0.1 -61,-0.0 -0.922 48.1-110.4-158.7 178.0 21.5 30.0 -4.3 75 517 A D S S+ 0 0 114 -2,-0.3 2,-0.5 2,-0.1 -2,-0.0 0.192 76.4 106.4-108.1 16.0 19.9 31.6 -1.2 76 518 A V S S- 0 0 91 1,-0.0 2,-0.2 35,-0.0 33,-0.2 -0.840 72.7-118.5-101.2 128.4 16.9 33.3 -2.7 77 519 A F + 0 0 41 -2,-0.5 2,-0.3 33,-0.2 147,-0.1 -0.432 40.9 167.0 -63.9 129.2 13.5 31.9 -2.1 78 520 A E - 0 0 25 -2,-0.2 30,-0.3 146,-0.0 32,-0.2 -0.983 33.9-118.8-136.1 149.2 11.7 30.9 -5.3 79 521 A E - 0 0 84 -2,-0.3 141,-0.0 1,-0.2 -1,-0.0 -0.104 64.3 -53.6 -65.5 179.5 8.6 28.8 -5.7 80 522 A D - 0 0 108 27,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.283 67.6-162.9 -51.0 140.3 8.9 25.5 -7.7 81 523 A E E - G 0 106B 37 25,-1.9 25,-1.5 -3,-0.1 2,-0.3 -0.851 5.2-144.8-129.4 169.4 10.5 26.1 -11.1 82 524 A C E + G 0 105B 23 -2,-0.3 -39,-3.6 23,-0.2 -41,-1.2 -0.961 19.9 159.5-138.7 152.2 10.8 24.3 -14.5 83 525 A F E -FG 40 104B 0 21,-1.5 21,-1.9 -2,-0.3 2,-0.2 -0.956 19.8-148.9-161.8 163.8 13.0 23.6 -17.4 84 526 A Y E -FG 39 103B 86 -45,-2.9 -45,-2.6 -2,-0.3 2,-0.3 -0.758 10.3-138.3-137.7 176.0 13.3 20.9 -20.1 85 527 A I E -FG 38 102B 0 17,-1.9 17,-2.5 -47,-0.3 2,-0.4 -0.975 20.6-157.9-145.9 122.0 15.5 19.0 -22.4 86 528 A R E -FG 37 101B 104 -49,-2.0 -49,-1.3 -2,-0.3 2,-0.6 -0.820 10.8-137.9-110.5 140.1 14.6 18.2 -26.1 87 529 A L E +F 36 0B 0 13,-3.3 -51,-0.2 -2,-0.4 2,-0.2 -0.838 37.1 149.7 -93.3 119.7 15.9 15.4 -28.5 88 530 A F E +F 35 0B 31 -53,-1.5 -53,-1.6 -2,-0.6 0, 0.0 -0.498 45.6 45.1-121.3-161.0 16.6 16.5 -32.0 89 531 A N - 0 0 99 -55,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.677 65.7-173.4 37.2 45.9 19.0 15.4 -34.7 90 532 A P - 0 0 45 0, 0.0 -56,-0.3 0, 0.0 -1,-0.1 -0.339 33.1-100.2 -61.3 155.2 18.6 11.6 -34.4 91 533 A S > - 0 0 25 -58,-2.0 3,-1.3 4,-0.1 -59,-0.1 -0.200 43.4 -93.7 -68.3 171.0 21.0 9.6 -36.6 92 534 A E T 3 S+ 0 0 202 1,-0.2 -1,-0.1 -3,-0.1 -60,-0.1 0.863 114.5 62.1 -62.4 -41.7 19.7 8.3 -39.9 93 535 A G T 3 S+ 0 0 80 -62,-0.2 2,-0.3 -66,-0.0 -1,-0.2 0.633 101.0 63.8 -56.7 -12.5 18.6 4.8 -38.9 94 536 A V < - 0 0 29 -3,-1.3 2,-0.2 -68,-0.1 -68,-0.0 -0.817 61.1-138.1-139.1 151.7 16.0 5.9 -36.5 95 537 A K - 0 0 120 -2,-0.3 -93,-1.6 1,-0.0 2,-0.3 -0.671 33.6-112.3 -98.7 153.3 12.8 7.8 -35.5 96 538 A L B -b 2 0A 53 -2,-0.2 -93,-0.2 -95,-0.2 4,-0.1 -0.704 40.4-168.4 -84.3 139.9 12.1 10.0 -32.4 97 539 A A - 0 0 19 -95,-1.7 -93,-0.1 -2,-0.3 3,-0.1 -0.007 29.1 -39.3-111.0-152.3 9.7 8.5 -29.9 98 540 A V S S+ 0 0 79 1,-0.3 -95,-0.1 2,-0.1 2,-0.1 -0.942 119.0 22.9-132.0 114.0 7.7 9.5 -26.8 99 541 A P + 0 0 44 0, 0.0 -95,-1.8 0, 0.0 -1,-0.3 0.407 62.1 152.9 -93.1 157.7 9.0 11.3 -24.9 100 542 A M S S+ 0 0 52 -97,-0.2 -13,-3.3 1,-0.2 2,-0.3 0.098 70.0 68.3-125.3 16.9 11.7 13.2 -26.7 101 543 A I E S- G 0 86B 57 -15,-0.2 2,-0.3 -97,-0.1 -15,-0.2 -0.901 73.3-156.8-132.2 106.8 11.3 16.0 -24.2 102 544 A A E - 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