==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 24-OCT-11 3UBF . COMPND 2 MOLECULE: NEURAL-CADHERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR X.JIN,M.A.WALKER,L.SHAPIRO . 298 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 . 43 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 1 1 0 1 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 . 1 2 6 1 0 1 0 3 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 . 2 3 2 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 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 1 438 A S 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.2 97.6 -9.1 72.2 2 439 A A + 0 0 52 80,-0.1 81,-2.4 1,-0.0 2,-0.5 0.682 360.0 63.1 -72.4 -22.0 94.7 -6.6 72.6 3 440 A V E S-a 83 0A 76 79,-0.2 81,-0.2 81,-0.0 3,-0.1 -0.928 74.6-151.0-111.1 128.2 93.4 -7.5 69.1 4 441 A R E -a 84 0A 29 79,-2.7 81,-0.5 -2,-0.5 3,-0.1 -0.624 38.6 -77.9 -92.8 154.3 92.1 -10.9 68.3 5 442 A P E - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.256 63.2 -95.9 -47.9 131.9 92.1 -12.7 64.9 6 443 A T E - 0 0 58 1,-0.1 2,-0.7 78,-0.1 80,-0.2 -0.318 34.3-126.6 -59.3 127.7 89.3 -11.2 62.8 7 444 A K E -a 86 0A 35 78,-2.7 80,-3.0 -3,-0.1 2,-0.4 -0.727 31.3-173.6 -78.4 114.6 86.2 -13.3 63.0 8 445 A R E +a 87 0A 178 -2,-0.7 2,-0.3 78,-0.2 80,-0.2 -0.939 11.7 159.0-112.6 134.8 85.1 -14.1 59.4 9 446 A I E -a 88 0A 44 78,-1.9 80,-2.2 -2,-0.4 2,-0.5 -0.977 29.4-136.9-159.7 142.6 81.9 -15.9 58.6 10 447 A E E +a 89 0A 123 -2,-0.3 2,-0.3 78,-0.2 80,-0.2 -0.879 26.7 163.2-108.2 127.8 79.5 -16.3 55.7 11 448 A F E -a 90 0A 39 78,-2.3 80,-2.7 -2,-0.5 2,-0.1 -0.966 33.3-116.0-136.3 156.6 75.7 -16.2 55.9 12 449 A T E -a 91 0A 45 -2,-0.3 4,-0.4 78,-0.2 80,-0.2 -0.425 31.6-108.9 -83.1 165.4 73.0 -15.7 53.4 13 450 A E S > S+ 0 0 25 78,-2.5 3,-1.5 1,-0.2 45,-0.2 0.923 121.6 54.7 -51.8 -45.4 70.6 -12.8 53.3 14 451 A A G > S+ 0 0 54 77,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.801 90.9 69.7 -65.5 -34.2 67.9 -15.2 54.5 15 452 A D G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.736 105.3 45.8 -54.5 -21.0 69.9 -16.4 57.5 16 453 A G G < S+ 0 0 0 -3,-1.5 42,-3.1 -4,-0.4 -1,-0.3 -0.118 77.4 114.3-113.4 38.2 69.2 -12.9 58.8 17 454 A D < + 0 0 75 -3,-1.8 2,-0.4 40,-0.2 40,-0.1 0.253 66.2 61.7 -93.1 9.4 65.4 -12.6 58.0 18 455 A T S > S- 0 0 77 -3,-0.2 3,-1.8 38,-0.1 36,-0.3 -0.957 83.5-118.8-145.3 118.9 64.1 -12.4 61.5 19 456 A E T 3 S+ 0 0 88 -2,-0.4 36,-0.2 1,-0.2 3,-0.1 -0.262 98.7 15.8 -54.0 132.2 64.8 -9.8 64.2 20 457 A G T 3 S+ 0 0 23 34,-3.9 -1,-0.2 1,-0.3 2,-0.2 0.327 85.3 145.8 85.8 -6.9 66.5 -11.2 67.3 21 458 A K < - 0 0 106 -3,-1.8 33,-2.2 33,-0.1 2,-0.7 -0.447 52.5-125.9 -62.9 130.7 67.5 -14.5 65.7 22 459 A S E +D 53 0B 65 31,-0.2 31,-0.2 1,-0.2 3,-0.1 -0.733 30.9 179.0 -79.7 112.7 70.9 -15.7 67.0 23 460 A V E - 0 0 24 29,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.928 59.4 -15.8 -84.0 -49.7 73.0 -16.2 63.9 24 461 A F E -D 52 0B 20 28,-0.9 28,-3.4 26,-0.1 2,-0.5 -0.989 59.7-114.5-155.2 160.9 76.2 -17.3 65.5 25 462 A Q E -D 51 0B 102 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.867 26.1-136.3 -98.1 120.3 78.1 -17.5 68.8 26 463 A L - 0 0 1 24,-2.5 2,-0.1 -2,-0.5 9,-0.0 -0.617 31.2-118.8 -69.9 136.0 81.3 -15.5 69.1 27 464 A E - 0 0 102 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 -0.458 20.6-145.1 -81.8 152.0 84.0 -17.6 70.8 28 465 A K - 0 0 105 -2,-0.1 3,-0.1 1,-0.1 7,-0.0 -0.923 11.8-151.0-116.3 141.7 85.6 -16.8 74.1 29 466 A E S S+ 0 0 168 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.724 89.1 31.7 -79.3 -23.8 89.2 -17.5 75.2 30 467 A T S > S- 0 0 66 1,-0.1 3,-1.4 -3,-0.0 -1,-0.1 -0.969 85.3-115.9-136.1 155.1 88.1 -17.8 78.8 31 468 A D T 3 S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.822 108.3 47.8 -54.5 -42.5 85.0 -18.9 80.5 32 469 A K T 3 S+ 0 0 149 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.073 78.4 132.4 -97.2 23.6 83.9 -15.6 82.1 33 470 A E < - 0 0 22 -3,-1.4 2,-0.4 16,-0.1 44,-0.2 -0.508 38.0-159.6 -75.3 140.6 84.3 -13.3 79.1 34 471 A T E -B 76 0A 54 42,-2.0 42,-2.2 -2,-0.2 2,-0.3 -0.940 6.8-144.8-118.7 148.1 81.5 -10.9 78.3 35 472 A F E +B 75 0A 6 13,-3.0 2,-0.3 -2,-0.4 40,-0.2 -0.714 18.9 171.6-111.3 159.4 81.0 -9.2 74.9 36 473 A K E -B 74 0A 102 38,-1.0 38,-3.6 -2,-0.3 11,-0.1 -0.893 36.0-110.1-163.5 134.5 79.7 -5.8 73.9 37 474 A I E -B 73 0A 28 9,-0.4 36,-0.3 -2,-0.3 3,-0.1 -0.424 17.0-146.4 -69.0 144.8 79.6 -4.2 70.4 38 475 A R S S+ 0 0 89 34,-2.4 2,-0.4 1,-0.3 -1,-0.1 0.946 84.6 18.5 -75.4 -51.2 82.0 -1.2 69.9 39 476 A D S S- 0 0 114 33,-0.4 -1,-0.3 0, 0.0 33,-0.2 -0.974 92.2-103.2-123.0 135.3 79.7 0.7 67.5 40 477 A D - 0 0 139 -2,-0.4 5,-0.1 -3,-0.1 3,-0.0 -0.338 39.5-158.5 -54.8 128.0 76.0 0.3 67.1 41 478 A N - 0 0 18 3,-0.7 3,-0.1 1,-0.1 30,-0.1 -0.908 18.6-139.0-116.3 140.8 75.4 -1.6 63.9 42 479 A P S S+ 0 0 65 0, 0.0 14,-1.3 0, 0.0 -1,-0.1 0.812 101.1 41.4 -70.1 -23.3 72.1 -1.5 62.0 43 480 A W S S+ 0 0 22 12,-0.2 12,-2.2 1,-0.2 2,-0.4 0.694 115.8 32.7 -99.8 -22.8 72.2 -5.2 61.2 44 481 A V E -E 54 0B 1 10,-0.3 -3,-0.7 11,-0.2 2,-0.3 -0.993 48.9-162.9-142.0 141.5 73.4 -6.8 64.4 45 482 A T E -E 53 0B 47 8,-2.5 8,-2.9 -2,-0.4 2,-0.5 -0.848 22.5-138.9-106.9 157.6 73.3 -6.6 68.1 46 483 A V E -E 52 0B 18 -2,-0.3 -9,-0.4 6,-0.2 6,-0.2 -0.983 14.4-140.2-119.1 123.9 75.8 -8.5 70.2 47 484 A E > - 0 0 75 4,-3.0 3,-1.7 -2,-0.5 -12,-0.2 -0.308 27.7-106.6 -74.1 163.5 74.7 -10.2 73.4 48 485 A T T 3 S+ 0 0 94 1,-0.3 -13,-3.0 -14,-0.1 -1,-0.1 0.851 122.0 53.7 -54.1 -38.4 76.7 -10.2 76.7 49 486 A N T 3 S- 0 0 92 -15,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.367 124.1-102.3 -81.7 3.8 77.4 -13.9 76.0 50 487 A G S < S+ 0 0 0 -3,-1.7 -24,-2.5 1,-0.3 2,-0.3 0.424 71.7 146.4 88.5 -1.4 78.8 -13.2 72.5 51 488 A A E -D 25 0B 7 -26,-0.2 -4,-3.0 -16,-0.1 2,-0.6 -0.557 43.2-140.7 -66.2 126.1 75.7 -14.3 70.6 52 489 A V E -DE 24 46B 0 -28,-3.4 -29,-2.8 -2,-0.3 -28,-0.9 -0.832 24.6-167.0 -91.9 119.3 75.4 -12.2 67.4 53 490 A R E -DE 22 45B 82 -8,-2.9 -8,-2.5 -2,-0.6 2,-0.3 -0.833 26.1-106.1-115.9 146.8 71.7 -11.3 66.8 54 491 A V E + E 0 44B 3 -33,-2.2 -34,-3.9 -2,-0.3 -10,-0.3 -0.507 35.2 173.8 -65.3 122.9 69.8 -9.9 63.9 55 492 A K S S+ 0 0 85 -12,-2.2 2,-0.4 1,-0.5 -12,-0.2 0.851 73.2 18.3 -91.0 -77.9 68.8 -6.3 64.6 56 493 A K S S- 0 0 104 -14,-1.3 -1,-0.5 -37,-0.1 3,-0.1 -0.819 103.9 -93.3 -92.3 135.4 67.3 -5.1 61.3 57 494 A K - 0 0 131 -2,-0.4 -40,-0.2 -3,-0.2 -1,-0.1 -0.258 55.5-101.1 -42.4 118.7 66.2 -7.9 58.9 58 495 A W - 0 0 6 -42,-3.1 2,-0.4 -45,-0.2 -1,-0.1 -0.214 41.5-178.0 -56.8 133.0 69.2 -8.4 56.6 59 496 A D >> - 0 0 26 1,-0.1 3,-1.2 -3,-0.1 4,-0.6 -0.893 13.6-163.1-138.3 101.7 69.0 -6.8 53.2 60 497 A Y G >4 S+ 0 0 47 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.837 91.0 56.4 -51.9 -42.9 72.0 -7.4 51.0 61 498 A E G 34 S+ 0 0 35 1,-0.3 -1,-0.3 6,-0.0 6,-0.0 0.788 104.3 54.9 -62.4 -30.0 71.1 -4.5 48.6 62 499 A E G <4 S+ 0 0 115 -3,-1.2 -1,-0.3 5,-0.0 -2,-0.2 0.568 90.9 94.2 -82.9 -10.9 71.2 -2.1 51.6 63 500 A L S << S- 0 0 12 -3,-1.1 6,-0.1 -4,-0.6 -3,-0.0 -0.412 88.0 -93.4 -75.8 156.8 74.7 -3.1 52.6 64 501 A G > - 0 0 42 4,-0.3 3,-2.2 1,-0.1 -1,-0.1 -0.090 49.9 -88.7 -60.1 170.7 77.8 -1.2 51.4 65 502 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.621 128.1 68.7 -63.0 -9.8 79.6 -2.4 48.2 66 503 A E T 3 S- 0 0 142 2,-0.1 3,-0.1 23,-0.0 -2,-0.0 0.812 94.6-146.2 -73.6 -33.2 81.6 -4.6 50.6 67 504 A K < + 0 0 41 -3,-2.2 23,-2.3 1,-0.3 2,-0.3 0.870 54.7 121.0 66.4 41.9 78.5 -6.7 51.2 68 505 A T E - C 0 89A 23 21,-0.2 2,-0.9 -4,-0.1 -4,-0.3 -0.955 69.1-132.5-133.5 146.4 79.5 -7.3 54.8 69 506 A I E - C 0 88A 1 19,-2.2 19,-2.8 -2,-0.3 2,-0.6 -0.937 42.6-174.4 -93.2 107.5 78.2 -6.8 58.2 70 507 A D E + C 0 87A 52 -2,-0.9 2,-0.3 17,-0.2 17,-0.2 -0.939 15.9 138.7-117.6 115.5 81.4 -5.3 59.6 71 508 A F E - C 0 86A 8 15,-2.6 15,-4.0 -2,-0.6 2,-0.3 -0.952 39.9-123.0-151.5 166.5 81.7 -4.5 63.3 72 509 A W E - C 0 85A 83 -2,-0.3 -34,-2.4 13,-0.3 -33,-0.4 -0.818 17.9-153.6-113.6 152.8 83.9 -4.6 66.3 73 510 A V E -BC 37 84A 0 11,-2.2 11,-1.9 -2,-0.3 2,-0.5 -0.933 9.1-140.8-123.9 151.6 83.4 -6.2 69.7 74 511 A I E -BC 36 83A 42 -38,-3.6 -38,-1.0 -2,-0.3 2,-0.4 -0.958 17.8-161.9-108.9 128.6 84.8 -5.5 73.1 75 512 A I E +BC 35 82A 3 7,-2.2 7,-2.7 -2,-0.5 2,-0.2 -0.952 24.2 145.1-115.8 129.3 85.7 -8.5 75.3 76 513 A T E B 34 0A 46 -42,-2.2 -42,-2.0 -2,-0.4 5,-0.1 -0.762 360.0 360.0-145.0-177.2 86.1 -8.1 79.0 77 514 A N 0 0 141 -2,-0.2 -1,-0.1 -44,-0.2 4,-0.1 0.217 360.0 360.0-163.0 360.0 85.7 -9.7 82.5 78 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 79 522 A K 0 0 135 0, 0.0 2,-1.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 156.9 90.4 -2.3 82.6 80 523 A Y + 0 0 101 2,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.746 360.0 163.6-101.6 87.0 92.3 -5.0 80.5 81 524 A T - 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