==== 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 3UBH . COMPND 2 MOLECULE: NEURAL-CADHERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR X.JIN,M.A.WALKER,L.SHAPIRO . 409 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 39 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 2 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 . 0 3 9 1 1 2 1 0 3 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 . 3 4 3 0 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 1 438 A R 0 0 107 0, 0.0 2,-0.3 0, 0.0 86,-0.2 0.000 360.0 360.0 360.0 129.4 -62.3 27.0 31.0 2 439 A A - 0 0 55 86,-0.0 86,-2.4 0, 0.0 2,-0.5 -0.838 360.0-106.9-136.2 165.3 -64.0 27.4 27.6 3 440 A V E -a 88 0A 102 -2,-0.3 86,-0.2 84,-0.2 3,-0.1 -0.840 38.1-146.9 -89.5 135.1 -63.6 27.0 23.9 4 441 A R E -a 89 0A 14 84,-3.0 86,-0.5 -2,-0.5 3,-0.1 -0.747 32.7 -82.8 -98.1 151.4 -63.1 30.4 22.3 5 442 A P E - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.222 58.4 -95.5 -50.7 140.7 -64.4 31.2 18.8 6 443 A T E - 0 0 50 83,-0.1 2,-0.6 1,-0.1 85,-0.2 -0.353 35.0-127.3 -57.7 133.5 -62.1 30.0 16.1 7 444 A K E -a 91 0A 31 83,-2.8 85,-2.7 -3,-0.1 2,-0.5 -0.782 24.2-165.1 -86.0 125.7 -59.7 32.6 14.8 8 445 A R E +a 92 0A 182 -2,-0.6 2,-0.3 83,-0.2 85,-0.2 -0.936 16.8 159.8-113.4 127.2 -59.7 33.0 11.0 9 446 A I E -a 93 0A 46 83,-2.2 85,-3.1 -2,-0.5 2,-0.4 -0.991 25.1-140.7-149.2 153.9 -57.0 34.8 9.1 10 447 A E E +a 94 0A 118 -2,-0.3 2,-0.3 83,-0.2 85,-0.2 -0.919 24.1 156.8-124.6 139.7 -55.5 35.0 5.6 11 448 A F E -a 95 0A 42 83,-2.6 85,-3.3 -2,-0.4 2,-0.3 -0.974 36.0-112.4-151.1 159.5 -52.0 35.3 4.4 12 449 A T E >> -a 96 0A 49 -2,-0.3 3,-1.1 83,-0.3 4,-0.7 -0.680 34.6-111.0 -91.0 152.5 -49.9 34.6 1.3 13 450 A E G >4 S+ 0 0 1 83,-2.5 3,-2.0 -2,-0.3 45,-0.3 0.900 117.6 59.0 -34.9 -57.8 -47.3 32.0 1.1 14 451 A A G >4 S+ 0 0 41 1,-0.3 3,-1.6 82,-0.2 -1,-0.2 0.764 91.8 67.2 -54.5 -33.1 -44.6 34.7 0.9 15 452 A D G <4 S+ 0 0 53 -3,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.850 105.6 44.4 -56.4 -31.4 -45.7 36.2 4.2 16 453 A G G << S+ 0 0 0 -3,-2.0 42,-2.7 -4,-0.7 -1,-0.3 -0.153 80.8 115.4-103.8 40.7 -44.4 33.0 5.8 17 454 A D < + 0 0 83 -3,-1.6 2,-0.5 40,-0.2 -1,-0.2 0.520 60.1 67.3 -92.0 -7.3 -41.2 32.9 3.8 18 455 A T S > S- 0 0 77 -3,-0.3 3,-2.1 -4,-0.1 36,-0.3 -0.964 85.9-116.7-121.2 121.4 -38.7 33.3 6.7 19 456 A E T 3 S+ 0 0 135 -2,-0.5 36,-0.2 1,-0.3 37,-0.1 -0.301 100.9 12.3 -55.2 129.9 -38.1 30.6 9.4 20 457 A G T 3 S+ 0 0 22 34,-2.3 -1,-0.3 1,-0.3 35,-0.1 0.244 86.2 150.4 88.4 -12.8 -39.1 32.1 12.8 21 458 A K < - 0 0 82 -3,-2.1 33,-2.2 32,-0.1 2,-1.1 -0.287 50.2-127.1 -52.5 129.4 -40.9 35.2 11.4 22 459 A S E -D 53 0B 70 31,-0.2 31,-0.2 1,-0.2 -1,-0.1 -0.759 31.2-180.0 -79.7 102.7 -43.7 36.4 13.7 23 460 A V E - 0 0 22 29,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.888 57.3 -20.9 -74.9 -42.9 -46.5 36.5 11.2 24 461 A F E -D 52 0B 24 28,-1.0 28,-2.7 -3,-0.1 2,-0.4 -0.978 60.1-106.5-160.9 172.7 -49.2 37.7 13.6 25 462 A Q E -D 51 0B 93 -2,-0.3 26,-0.2 26,-0.2 25,-0.1 -0.906 28.2-130.0-112.2 128.3 -50.5 38.0 17.2 26 463 A L - 0 0 3 24,-2.2 2,-0.4 -2,-0.4 9,-0.0 -0.391 39.1 -95.4 -71.8 153.2 -53.3 35.9 18.7 27 464 A E - 0 0 106 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.576 36.0-153.6 -79.8 128.3 -56.0 37.8 20.5 28 465 A K - 0 0 83 -2,-0.4 3,-0.1 1,-0.1 4,-0.0 -0.622 12.5-163.2 -89.8 155.2 -55.6 38.2 24.3 29 466 A E S S+ 0 0 136 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.564 82.9 10.4-112.4 -20.0 -58.6 38.7 26.5 30 467 A T S > S- 0 0 77 1,-0.1 3,-0.5 3,-0.0 -1,-0.5 -0.946 79.1-115.6-144.2 159.9 -56.5 39.9 29.5 31 468 A D T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.938 107.9 59.4 -58.5 -48.1 -52.9 40.9 29.7 32 469 A K T 3 S+ 0 0 116 -3,-0.1 -1,-0.2 2,-0.0 44,-0.1 0.661 80.0 102.2 -61.7 -24.8 -51.9 38.1 32.0 33 470 A E < - 0 0 1 -3,-0.5 2,-0.3 44,-0.1 44,-0.2 -0.271 55.3-153.8 -70.5 146.3 -52.9 35.1 29.9 34 471 A T E -B 76 0A 66 42,-2.4 42,-2.5 16,-0.0 2,-0.3 -0.844 3.7-132.8-124.1 160.5 -50.3 33.0 28.1 35 472 A F E +B 75 0A 4 13,-2.2 2,-0.3 -2,-0.3 40,-0.2 -0.770 21.1 168.2-116.1 151.8 -50.3 30.8 25.0 36 473 A K E -B 74 0A 121 38,-1.7 38,-3.4 -2,-0.3 11,-0.1 -0.948 38.7-109.4-157.2 139.9 -49.0 27.4 24.0 37 474 A I E -B 73 0A 31 9,-0.3 36,-0.3 -2,-0.3 3,-0.1 -0.447 21.5-137.2 -72.5 146.4 -49.8 25.3 20.9 38 475 A R S S- 0 0 92 34,-2.8 2,-0.3 1,-0.2 35,-0.1 0.919 78.2 -5.6 -72.1 -44.6 -51.9 22.2 21.5 39 476 A D S S- 0 0 99 33,-0.4 -1,-0.2 1,-0.1 33,-0.1 -0.942 92.7 -67.4-142.3 165.3 -49.9 19.8 19.3 40 477 A D - 0 0 148 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 -0.146 44.8-172.0 -45.9 141.9 -47.0 19.9 16.9 41 478 A N - 0 0 16 3,-0.4 3,-0.1 1,-0.1 30,-0.1 -0.982 22.3-143.5-136.8 137.0 -47.7 21.7 13.6 42 479 A P S S+ 0 0 80 0, 0.0 14,-1.4 0, 0.0 -1,-0.1 0.768 97.3 41.5 -69.2 -20.7 -45.2 21.6 10.8 43 480 A W S S+ 0 0 26 12,-0.2 12,-2.7 1,-0.1 2,-0.3 0.696 113.9 30.4-103.0 -23.5 -45.8 25.2 9.8 44 481 A V E -E 54 0B 1 10,-0.3 -3,-0.4 11,-0.1 2,-0.3 -0.958 48.4-163.8-139.6 151.8 -46.1 27.3 12.9 45 482 A T E -E 53 0B 49 8,-2.8 8,-2.4 -2,-0.3 2,-0.5 -0.865 21.3-134.0-122.3 169.0 -44.9 27.6 16.5 46 483 A V E -E 52 0B 22 -2,-0.3 -9,-0.3 6,-0.2 6,-0.2 -0.954 7.4-146.4-132.0 119.3 -46.5 29.7 19.3 47 484 A E > - 0 0 74 4,-2.6 3,-1.7 -2,-0.5 -12,-0.2 -0.350 32.9-109.9 -72.7 159.5 -44.7 32.0 21.8 48 485 A T T 3 S+ 0 0 94 1,-0.3 -13,-2.2 2,-0.1 -1,-0.1 0.754 117.3 59.0 -65.1 -21.6 -46.0 32.4 25.3 49 486 A N T 3 S- 0 0 80 -15,-0.2 -1,-0.3 2,-0.1 -13,-0.1 0.452 126.2 -94.5 -85.0 -2.1 -47.1 36.0 24.5 50 487 A G S < S+ 0 0 0 -3,-1.7 -24,-2.2 1,-0.3 2,-0.2 0.356 74.0 147.4 109.0 -5.7 -49.4 34.9 21.5 51 488 A A E -D 25 0B 6 -26,-0.2 -4,-2.6 -16,-0.1 2,-0.6 -0.463 38.2-148.4 -70.7 130.1 -47.0 35.3 18.6 52 489 A V E -DE 24 46B 0 -28,-2.7 -29,-2.0 -6,-0.2 -28,-1.0 -0.906 22.2-168.8 -99.0 114.8 -47.5 32.9 15.8 53 490 A R E -DE 22 45B 89 -8,-2.4 -8,-2.8 -2,-0.6 -31,-0.2 -0.848 25.5-105.8-113.8 143.0 -44.1 32.1 14.2 54 491 A V E + E 0 44B 4 -33,-2.2 -34,-2.3 -2,-0.4 -10,-0.3 -0.388 33.5 175.8 -60.8 132.3 -43.1 30.3 11.0 55 492 A K S S+ 0 0 87 -12,-2.7 2,-0.4 1,-0.5 -12,-0.2 0.739 73.5 16.7 -98.4 -82.9 -41.7 26.9 11.6 56 493 A K S S- 0 0 110 -14,-1.4 -1,-0.5 -37,-0.1 3,-0.1 -0.784 106.2 -89.0 -89.6 134.5 -41.2 25.4 8.1 57 494 A K - 0 0 116 -2,-0.4 -40,-0.2 -3,-0.2 -1,-0.1 -0.138 54.7-104.2 -42.3 122.5 -41.3 28.0 5.3 58 495 A W - 0 0 9 -42,-2.7 2,-0.4 -45,-0.3 -1,-0.1 -0.225 42.7-172.7 -59.5 141.5 -44.9 28.3 4.2 59 496 A D >> - 0 0 41 1,-0.1 3,-1.2 -3,-0.1 4,-0.6 -0.887 26.4-170.0-148.6 107.8 -45.7 26.5 1.0 60 497 A Y G >4 S+ 0 0 47 -2,-0.4 3,-0.9 1,-0.2 -1,-0.1 0.878 93.7 60.3 -59.4 -40.4 -48.9 26.6 -1.0 61 498 A E G 34 S+ 0 0 50 1,-0.2 -1,-0.2 6,-0.0 36,-0.0 0.597 108.3 43.6 -65.0 -13.4 -47.5 23.8 -3.2 62 499 A E G <4 S+ 0 0 110 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.2 0.440 93.6 94.3-116.7 -3.1 -47.2 21.5 -0.2 63 500 A L S << S- 0 0 20 -3,-0.9 6,-0.1 -4,-0.6 -3,-0.0 -0.491 77.2-107.3 -81.5 160.1 -50.5 22.1 1.6 64 501 A G > - 0 0 43 4,-0.3 3,-1.0 -2,-0.2 -1,-0.1 0.019 47.2 -75.7 -78.8-170.9 -53.6 20.0 1.0 65 502 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.845 130.2 56.9 -60.1 -34.7 -56.8 20.8 -0.9 66 503 A E T 3 S- 0 0 147 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.782 93.4-148.3 -67.1 -29.1 -58.1 23.1 1.9 67 504 A K < + 0 0 43 -3,-1.0 28,-2.4 1,-0.2 2,-0.3 0.841 50.3 127.7 64.1 38.2 -54.9 25.2 1.7 68 505 A T E - C 0 94A 29 26,-0.2 2,-0.6 2,-0.0 -4,-0.3 -0.844 61.8-138.2-123.4 157.0 -55.0 26.0 5.4 69 506 A I E - C 0 93A 2 24,-1.8 24,-2.5 -2,-0.3 2,-0.5 -0.988 36.3-172.7-109.3 112.8 -52.6 25.8 8.4 70 507 A D E + C 0 92A 53 -2,-0.6 2,-0.3 22,-0.2 22,-0.2 -0.945 14.4 147.5-123.9 114.6 -55.0 24.5 11.1 71 508 A F E - C 0 91A 9 20,-2.7 20,-3.5 -2,-0.5 2,-0.3 -0.963 37.7-122.7-146.9 160.5 -54.1 24.2 14.7 72 509 A W E - C 0 90A 60 -2,-0.3 -34,-2.8 18,-0.2 -33,-0.4 -0.763 20.5-156.8-104.3 152.8 -55.3 24.5 18.3 73 510 A V E -BC 37 89A 0 16,-2.8 16,-2.2 -2,-0.3 2,-0.4 -0.994 8.3-144.4-133.9 131.9 -54.0 26.7 21.0 74 511 A I E -BC 36 88A 35 -38,-3.4 -38,-1.7 -2,-0.4 2,-0.5 -0.792 14.5-163.0 -92.1 136.3 -54.1 26.4 24.8 75 512 A I E -BC 35 87A 0 12,-2.5 12,-3.1 -2,-0.4 2,-0.3 -0.969 12.4-169.0-125.0 117.4 -54.6 29.7 26.7 76 513 A T E BC 34 86A 57 -42,-2.5 -42,-2.4 -2,-0.5 10,-0.2 -0.736 360.0 360.0-114.6 151.8 -53.8 29.7 30.4 77 514 A N 0 0 30 8,-1.9 8,-1.4 -2,-0.3 -44,-0.1 -0.805 360.0 360.0-151.7 360.0 -54.2 31.9 33.5 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 79 517 A H 0 0 156 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.9 -52.8 33.2 40.4 80 518 A N + 0 0 147 2,-0.1 3,-0.1 1,-0.0 0, 0.0 0.414 360.0 90.2 86.0 -1.4 -53.6 36.7 41.7 81 519 A A S S- 0 0 44 1,-0.1 2,-1.7 -49,-0.0 -49,-0.0 0.323 89.6-134.2-104.3 2.8 -55.9 37.3 38.7 82 520 A G S S+ 0 0 68 2,-0.0 2,-0.6 0, 0.0 -2,-0.1 -0.519 81.6 61.6 82.4 -72.7 -58.9 35.9 40.7 83 521 A I S S- 0 0 129 -2,-1.7 2,-0.3 -3,-0.1 0, 0.0 -0.815 72.1-156.6 -99.7 118.5 -60.5 33.7 38.2 84 522 A K + 0 0 127 -2,-0.6 2,-0.3 2,-0.0 -8,-0.0 -0.709 21.8 149.3-101.1 142.2 -58.4 30.7 36.8 85 523 A Y - 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