==== 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 3UBG . COMPND 2 MOLECULE: NEURAL-CADHERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR X.JIN,M.A.WALKER,L.SHAPIRO . 613 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 66 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 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 . 1 0 0 1 2 0 1 2 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 . 0 4 14 1 1 2 4 0 4 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 . 4 6 4 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 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 1 439 A A 0 0 102 0, 0.0 82,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.2 -6.3 -5.1 57.4 2 440 A V E -a 83 0A 82 80,-0.2 82,-0.2 82,-0.0 3,-0.1 -0.872 360.0-150.4-116.3 130.2 -5.4 -2.6 54.7 3 441 A R E -a 84 0A 13 80,-2.5 82,-0.5 -2,-0.4 3,-0.1 -0.535 45.8 -77.2 -88.1 160.6 -4.5 1.1 55.0 4 442 A P E - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 418,-0.0 -0.370 58.6-105.6 -59.7 129.5 -5.1 3.6 52.2 5 443 A T E - 0 0 24 1,-0.1 2,-0.7 79,-0.1 81,-0.2 -0.227 27.5-127.2 -54.9 139.5 -2.5 3.3 49.6 6 444 A K E -a 86 0A 69 79,-2.7 81,-3.9 -3,-0.1 2,-0.5 -0.837 28.2-175.8 -94.1 117.9 0.1 5.9 49.5 7 445 A R E +a 87 0A 48 -2,-0.7 2,-0.3 79,-0.2 81,-0.2 -0.955 11.3 163.8-115.3 130.3 0.5 7.4 46.0 8 446 A I E -a 88 0A 33 79,-2.3 81,-3.5 -2,-0.5 2,-0.3 -0.999 26.4-132.1-155.2 151.1 3.2 10.0 45.4 9 447 A E E +a 89 0A 37 -2,-0.3 2,-0.3 79,-0.2 81,-0.2 -0.758 28.8 151.1-108.2 143.4 5.1 11.7 42.6 10 448 A F E -a 90 0A 34 79,-2.1 81,-2.6 -2,-0.3 2,-0.2 -0.981 40.6-112.9-159.9 156.7 8.8 12.4 41.9 11 449 A T E >> -a 91 0A 34 -2,-0.3 3,-1.0 79,-0.2 4,-0.6 -0.608 36.3-116.5 -76.9 152.7 11.4 12.9 39.2 12 450 A E G >4 S+ 0 0 1 79,-2.8 3,-0.8 1,-0.2 45,-0.3 0.807 118.2 62.0 -57.7 -26.2 14.0 10.2 39.0 13 451 A A G >4 S+ 0 0 36 78,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.759 88.2 66.4 -74.2 -24.0 16.4 13.0 39.9 14 452 A D G <4 S+ 0 0 59 -3,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.765 103.6 49.9 -64.0 -24.0 14.7 13.5 43.3 15 453 A G G << S+ 0 0 0 -3,-0.8 42,-2.4 -4,-0.6 -1,-0.3 -0.151 75.9 115.8-101.1 37.2 16.1 10.0 43.9 16 454 A D < + 0 0 87 -3,-1.6 2,-0.5 40,-0.2 -1,-0.2 0.477 62.7 69.9 -85.4 1.6 19.6 10.9 42.8 17 455 A T S > S- 0 0 71 -3,-0.3 3,-1.8 38,-0.1 36,-0.3 -0.950 81.6-125.2-129.4 115.1 21.1 10.3 46.3 18 456 A E T 3 S+ 0 0 131 -2,-0.5 36,-0.2 1,-0.2 3,-0.1 -0.237 94.5 8.9 -54.9 135.1 21.5 6.9 48.0 19 457 A G T 3 S+ 0 0 20 34,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.334 87.8 143.0 75.8 -9.3 19.9 6.8 51.5 20 458 A K < - 0 0 87 -3,-1.8 33,-2.6 34,-0.1 2,-0.4 -0.453 53.6-123.9 -60.3 133.8 18.2 10.2 51.1 21 459 A S E -D 52 0B 62 31,-0.2 31,-0.3 1,-0.1 3,-0.1 -0.719 29.1-179.3 -81.6 128.8 14.8 10.0 52.8 22 460 A V E - 0 0 24 29,-2.8 2,-0.3 -2,-0.4 30,-0.1 0.734 61.0 -25.5-105.7 -28.1 12.0 11.0 50.3 23 461 A F E -D 51 0B 22 28,-1.0 28,-2.8 26,-0.0 -1,-0.4 -0.953 57.3-121.4-171.7 170.6 8.9 10.8 52.5 24 462 A Q E -D 50 0B 106 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.976 20.9-124.2-126.6 139.5 7.5 9.1 55.6 25 463 A L - 0 0 6 24,-2.9 9,-0.0 -2,-0.4 61,-0.0 -0.596 40.5-100.1 -78.1 140.0 4.5 6.9 56.0 26 464 A E - 0 0 139 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.200 29.7-133.0 -54.1 142.9 1.9 8.0 58.6 27 465 A K - 0 0 85 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.817 15.0-169.9 -94.6 141.3 1.9 6.4 62.1 28 466 A E S S+ 0 0 126 1,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.824 85.6 7.5 -93.2 -44.6 -1.4 5.3 63.6 29 467 A T S S- 0 0 46 1,-0.0 -1,-0.5 0, 0.0 3,-0.4 -0.865 78.8-122.0-122.9 167.3 0.1 4.7 67.0 30 468 A D S S+ 0 0 139 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.763 106.9 65.2 -83.9 -22.9 3.7 5.6 67.9 31 469 A K S S+ 0 0 157 2,-0.1 -1,-0.2 -4,-0.0 44,-0.1 0.752 78.5 122.3 -64.3 -26.4 4.7 2.1 68.9 32 470 A E - 0 0 1 -3,-0.4 2,-0.4 44,-0.1 44,-0.2 -0.081 45.3-163.0 -48.4 125.6 4.2 1.1 65.2 33 471 A T E -B 75 0A 66 42,-2.3 42,-2.3 15,-0.1 2,-0.4 -0.913 8.6-142.5-111.4 145.0 7.2 -0.4 63.3 34 472 A F E +B 74 0A 2 13,-1.8 2,-0.4 -2,-0.4 40,-0.2 -0.852 18.3 176.7-108.3 133.5 7.4 -0.7 59.6 35 473 A K E -B 73 0A 143 38,-2.5 38,-3.9 -2,-0.4 2,-0.2 -0.999 30.5-123.1-134.1 131.4 8.8 -3.5 57.6 36 474 A I E -B 72 0A 34 -2,-0.4 36,-0.2 9,-0.3 3,-0.1 -0.489 16.8-138.8 -68.5 140.6 8.8 -3.8 53.8 37 475 A R S S+ 0 0 109 34,-2.1 2,-0.4 1,-0.2 -1,-0.1 0.892 85.3 20.2 -71.6 -38.3 7.1 -7.0 52.6 38 476 A D S S- 0 0 91 33,-0.5 -1,-0.2 -3,-0.0 33,-0.1 -0.994 92.0 -98.9-133.5 138.9 9.7 -7.6 49.9 39 477 A D - 0 0 139 -2,-0.4 5,-0.1 -3,-0.1 -2,-0.0 -0.269 43.5-155.0 -47.5 127.5 13.2 -6.4 49.4 40 478 A N - 0 0 22 3,-0.5 -1,-0.1 1,-0.1 30,-0.0 -0.925 17.4-146.0-113.2 138.1 13.1 -3.5 46.9 41 479 A P S S+ 0 0 70 0, 0.0 14,-1.6 0, 0.0 -1,-0.1 0.792 97.9 38.5 -68.1 -25.4 15.9 -2.4 44.6 42 480 A W S S+ 0 0 29 12,-0.2 12,-2.9 1,-0.1 2,-0.3 0.686 115.9 31.9-103.5 -25.4 15.0 1.2 44.8 43 481 A V E -E 53 0B 1 10,-0.3 -3,-0.5 11,-0.1 2,-0.4 -0.961 53.0-153.9-136.0 148.7 13.8 2.0 48.3 44 482 A T E -E 52 0B 40 8,-2.1 8,-2.5 -2,-0.3 2,-0.5 -0.938 16.6-142.7-110.6 150.3 14.4 1.0 51.9 45 483 A V E -E 51 0B 22 -2,-0.4 -9,-0.3 6,-0.2 6,-0.2 -0.962 14.1-147.4-109.6 122.3 11.7 1.3 54.6 46 484 A E > - 0 0 65 4,-2.9 3,-1.3 -2,-0.5 -12,-0.2 -0.320 29.2-105.7 -76.5 167.6 13.0 2.4 58.1 47 485 A T T 3 S+ 0 0 87 1,-0.3 -13,-1.8 -14,-0.1 -1,-0.1 0.778 119.3 54.9 -69.5 -25.1 11.2 1.1 61.2 48 486 A N T 3 S- 0 0 67 -15,-0.2 -1,-0.3 2,-0.0 -16,-0.1 0.402 126.9 -95.0 -86.9 3.1 9.6 4.5 61.9 49 487 A G S < S+ 0 0 0 -3,-1.3 -24,-2.9 1,-0.3 2,-0.1 0.413 75.0 145.7 100.0 -0.8 8.0 4.5 58.4 50 488 A A E -D 24 0B 7 -26,-0.3 -4,-2.9 -16,-0.1 2,-0.5 -0.438 37.6-146.3 -72.0 142.7 10.6 6.6 56.5 51 489 A V E -DE 23 45B 0 -28,-2.8 -29,-2.8 -6,-0.2 -28,-1.0 -0.934 19.7-174.7-115.7 129.1 11.2 5.7 52.9 52 490 A R E -DE 21 44B 90 -8,-2.5 -8,-2.1 -2,-0.5 -31,-0.2 -0.916 31.1-104.2-127.0 149.7 14.7 6.1 51.5 53 491 A V E + E 0 43B 1 -33,-2.6 -34,-2.8 -2,-0.3 -10,-0.3 -0.532 36.7 173.5 -65.1 132.2 16.4 5.8 48.1 54 492 A K S S+ 0 0 62 -12,-2.9 2,-0.3 1,-0.6 -12,-0.2 0.662 71.9 18.7-100.9 -85.9 18.4 2.6 47.9 55 493 A K S S- 0 0 118 -14,-1.6 -1,-0.6 1,-0.1 -38,-0.1 -0.686 108.4 -91.3 -76.4 140.0 19.7 2.3 44.4 56 494 A K - 0 0 111 -2,-0.3 -40,-0.2 -3,-0.2 -1,-0.1 -0.269 52.8 -99.3 -51.7 136.0 19.6 5.7 42.7 57 495 A W - 0 0 11 -42,-2.4 2,-0.3 -45,-0.3 -1,-0.1 -0.272 43.0-175.4 -63.7 144.3 16.3 6.1 41.0 58 496 A D >> - 0 0 31 1,-0.1 3,-1.0 -3,-0.1 4,-0.9 -0.824 20.7-166.2-151.2 102.1 16.4 5.5 37.2 59 497 A Y G >4 S+ 0 0 39 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.834 91.9 61.1 -55.7 -37.2 13.3 6.0 35.0 60 498 A E G 34 S+ 0 0 40 1,-0.2 -1,-0.3 6,-0.0 6,-0.0 0.821 105.2 46.5 -62.5 -32.6 15.1 4.0 32.2 61 499 A E G <4 S+ 0 0 124 -3,-1.0 -1,-0.2 5,-0.0 -2,-0.2 0.637 91.5 99.5 -88.0 -10.8 15.3 0.9 34.3 62 500 A L S << S- 0 0 15 -4,-0.9 6,-0.1 -3,-0.5 -3,-0.0 -0.363 75.9-110.4 -70.9 154.9 11.7 0.9 35.6 63 501 A G > - 0 0 46 4,-0.3 3,-1.5 -2,-0.0 -1,-0.1 0.046 49.9 -68.9 -72.8-170.3 9.0 -1.3 34.0 64 502 A P T 3 S+ 0 0 118 0, 0.0 -2,-0.1 0, 0.0 347,-0.1 0.814 130.8 52.1 -57.1 -38.4 6.1 -0.1 31.8 65 503 A E T 3 S- 0 0 86 2,-0.1 3,-0.1 347,-0.1 -3,-0.0 0.717 95.9-140.4 -71.1 -20.9 4.1 1.5 34.6 66 504 A K < + 0 0 33 -3,-1.5 24,-2.4 1,-0.2 2,-0.3 0.893 57.5 123.0 58.6 45.6 7.1 3.6 35.7 67 505 A T E - C 0 89A 31 22,-0.2 2,-0.7 2,-0.1 -4,-0.3 -0.947 66.5-133.0-129.2 151.8 6.4 3.2 39.4 68 506 A I E - C 0 88A 5 20,-2.3 20,-2.8 -2,-0.3 2,-0.5 -0.954 39.4-178.2 -96.8 112.3 8.0 1.9 42.5 69 507 A D E + C 0 87A 48 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.951 11.9 146.2-122.0 112.2 5.2 -0.2 43.8 70 508 A F E - C 0 86A 9 16,-2.7 16,-3.3 -2,-0.5 2,-0.3 -0.967 38.3-124.0-148.4 160.9 5.6 -2.0 47.1 71 509 A W E - C 0 85A 12 -2,-0.3 -34,-2.1 14,-0.2 -33,-0.5 -0.757 18.7-156.9-103.2 153.3 3.8 -3.3 50.2 72 510 A V E -BC 36 84A 0 12,-2.9 12,-2.3 -2,-0.3 2,-0.5 -0.996 9.4-142.4-131.9 138.0 4.7 -2.5 53.8 73 511 A I E -BC 35 83A 51 -38,-3.9 -38,-2.5 -2,-0.4 2,-0.7 -0.873 14.3-160.0 -99.7 126.6 3.8 -4.5 56.9 74 512 A I E -BC 34 82A 0 8,-3.1 8,-1.9 -2,-0.5 2,-0.2 -0.879 12.3-169.2-115.7 104.5 3.0 -2.4 59.9 75 513 A T E BC 33 81A 55 -42,-2.3 -42,-2.3 -2,-0.7 6,-0.2 -0.616 360.0 360.0-100.3 150.1 3.3 -4.2 63.3 76 514 A N 0 0 41 4,-1.5 4,-0.1 -2,-0.2 -44,-0.1 -0.986 360.0 360.0-129.9 360.0 2.2 -3.3 66.8 77 ! 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 78 521 A I 0 0 176 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.1 -4.3 -3.8 70.7 79 522 A K + 0 0 189 2,-0.0 2,-0.3 -4,-0.0 -4,-0.0 -0.877 360.0 156.1-133.1 103.2 -2.1 -6.2 68.7 80 523 A Y - 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