==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 17-FEB-11 3QRB . COMPND 2 MOLECULE: CADHERIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR X.JIN,L.SHAPIRO . 426 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 2 0 0 1 1 0 2 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 . 2 2 6 2 0 4 2 0 2 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 4 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 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 D 0 0 170 0, 0.0 2,-0.1 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 150.6 49.1 -26.9 38.1 2 2 A W - 0 0 233 2,-0.0 91,-0.4 90,-0.0 2,-0.3 -0.410 360.0-167.3 -67.8 148.2 49.6 -23.3 39.3 3 3 A V - 0 0 62 89,-0.1 2,-1.2 -2,-0.1 91,-0.2 -0.983 28.8-127.4-131.7 141.1 49.1 -20.5 36.8 4 4 A I E -a 94 0A 39 89,-2.8 91,-3.0 -2,-0.3 3,-0.2 -0.835 31.8-172.3 -85.8 100.2 50.1 -16.9 37.1 5 5 A A E + 0 0 74 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.706 61.5 3.9 -71.6 -24.2 46.5 -15.7 36.2 6 6 A A E + 0 0 56 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.817 41.8 175.8-165.8 128.3 47.5 -12.1 36.0 7 7 A I E -a 96 0A 28 88,-1.5 90,-2.1 -2,-0.3 2,-0.2 -0.993 39.0-141.2-117.4 119.8 50.4 -9.7 36.2 8 8 A S E +a 97 0A 80 -2,-0.5 90,-0.2 88,-0.2 -2,-0.1 -0.598 24.3 176.7 -86.2 145.9 48.9 -6.3 35.4 9 9 A C E -a 98 0A 4 88,-2.2 90,-2.1 -2,-0.2 2,-0.1 -0.974 28.3-126.3-142.6 124.8 50.6 -3.6 33.3 10 10 A P E > -a 99 0A 38 0, 0.0 3,-0.6 0, 0.0 56,-0.5 -0.439 32.1-112.0 -67.8 148.5 49.0 -0.3 32.4 11 11 A E T 3 S+ 0 0 2 88,-2.4 56,-0.2 1,-0.2 61,-0.0 -0.396 95.3 28.0 -69.1 159.9 49.0 0.5 28.7 12 12 A N T 3 S- 0 0 48 54,-2.2 -1,-0.2 1,-0.2 55,-0.1 0.760 79.0-176.4 62.8 31.7 51.1 3.4 27.4 13 13 A E < - 0 0 62 -3,-0.6 2,-0.2 51,-0.1 -1,-0.2 -0.262 8.2-153.4 -60.4 144.5 53.8 3.2 30.1 14 14 A K + 0 0 146 51,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.482 48.1 44.5-106.2-177.6 56.4 5.9 30.0 15 15 A G S S+ 0 0 63 -2,-0.2 2,-0.2 2,-0.0 -2,-0.0 -0.406 96.2 0.5 81.5-153.9 60.1 6.0 31.1 16 16 A E S S- 0 0 170 -2,-0.1 -2,-0.0 2,-0.0 -3,-0.0 -0.462 71.4-124.5 -82.1 137.0 62.8 3.4 30.8 17 17 A F S S+ 0 0 38 -2,-0.2 2,-0.2 46,-0.1 46,-0.2 -0.925 79.0 52.1-118.4 152.8 62.3 0.0 29.1 18 18 A P S S- 0 0 69 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.570 72.6-165.2 -73.6 163.1 62.6 -2.9 29.6 19 19 A K E -E 62 0B 48 43,-2.6 43,-2.5 -2,-0.2 2,-0.1 -0.976 20.1-117.1-119.5 132.9 60.6 -3.0 32.9 20 20 A N E +E 61 0B 92 -2,-0.4 41,-0.2 41,-0.2 3,-0.1 -0.386 31.4 173.0 -66.4 141.1 60.7 -5.9 35.3 21 21 A L E - 0 0 36 39,-3.1 2,-0.3 1,-0.4 40,-0.2 0.754 60.8 -31.2-110.2 -55.0 57.4 -7.8 35.9 22 22 A V E -E 60 0B 41 38,-1.1 38,-3.2 36,-0.1 2,-0.5 -0.965 50.5-125.9-164.5 150.8 58.3 -10.8 38.0 23 23 A Q E -E 59 0B 79 -2,-0.3 2,-0.4 36,-0.2 36,-0.2 -0.952 28.8-177.6-108.1 126.5 61.2 -13.2 38.7 24 24 A I + 0 0 20 34,-2.3 2,-0.3 -2,-0.5 -2,-0.0 -0.950 5.1 169.0-122.7 143.8 60.5 -16.9 38.3 25 25 A K - 0 0 124 -2,-0.4 2,-0.5 55,-0.0 55,-0.1 -0.946 35.0-113.5-142.7 165.1 62.9 -19.8 38.9 26 26 A S > - 0 0 3 -2,-0.3 3,-1.4 1,-0.1 8,-0.1 -0.871 18.7-142.5 -95.8 133.8 62.9 -23.6 39.3 27 27 A N G > S+ 0 0 127 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.430 95.5 80.3 -76.1 6.0 63.9 -24.8 42.8 28 28 A R G >> + 0 0 75 1,-0.2 3,-1.5 2,-0.1 4,-1.3 0.404 63.1 96.7 -83.8 2.6 65.8 -27.6 41.0 29 29 A D G <4 S+ 0 0 71 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.460 70.6 67.2 -72.7 -1.1 68.5 -25.0 40.4 30 30 A K G <4 S+ 0 0 141 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.737 104.3 44.1 -83.6 -24.1 70.3 -26.4 43.5 31 31 A E T <4 S- 0 0 103 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.848 130.1 -6.2 -83.5 -40.7 70.8 -29.6 41.5 32 32 A T S < S- 0 0 51 -4,-1.3 2,-0.3 51,-0.0 -1,-0.2 -0.948 81.7 -85.0-148.0 160.7 72.0 -28.1 38.2 33 33 A K - 0 0 92 -2,-0.3 50,-1.8 -3,-0.1 2,-0.4 -0.598 50.6-154.6 -66.9 138.5 72.4 -24.7 36.4 34 34 A V E -B 82 0A 6 -2,-0.3 2,-0.4 48,-0.2 48,-0.2 -0.944 8.4-154.2-123.7 140.6 68.9 -23.9 34.9 35 35 A F E -B 81 0A 51 46,-2.9 46,-2.6 -2,-0.4 2,-0.3 -0.963 13.5-145.9-119.7 134.9 68.2 -21.7 31.9 36 36 A Y E +B 80 0A 15 19,-2.6 2,-0.3 -2,-0.4 44,-0.2 -0.721 21.7 163.3-104.8 146.7 64.8 -19.9 31.4 37 37 A S E -B 79 0A 53 42,-1.7 42,-2.7 -2,-0.3 2,-0.3 -0.960 21.5-139.4-151.1 164.7 62.8 -19.1 28.4 38 38 A I E -B 78 0A 19 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.965 10.3-166.7-129.6 148.9 59.3 -18.0 27.4 39 39 A T E +B 77 0A 43 38,-2.3 38,-2.1 -2,-0.3 2,-0.2 -0.902 37.3 78.9-126.1 160.0 56.9 -19.0 24.6 40 40 A G S > >S- 0 0 5 -2,-0.3 3,-2.4 36,-0.2 5,-2.1 -0.528 85.9 -47.1 130.3 164.0 53.7 -17.4 23.4 41 41 A Q B 3 5S+g 45 0C 79 34,-0.4 34,-0.2 1,-0.3 7,-0.1 -0.565 131.6 32.7 -64.1 125.8 52.3 -14.6 21.3 42 42 A G T 3 5S+ 0 0 0 3,-2.5 9,-2.9 -2,-0.3 8,-0.6 0.112 123.7 49.2 106.2 -17.1 54.3 -11.6 22.7 43 43 A A T < 5S- 0 0 8 -3,-2.4 6,-2.7 7,-0.2 -1,-0.1 0.554 133.7 -11.9-115.8 -92.7 57.4 -13.7 23.4 44 44 A D T 5S+ 0 0 88 -4,-0.3 -3,-0.2 4,-0.2 4,-0.2 0.649 131.0 57.3 -88.9 -13.7 58.6 -16.0 20.5 45 45 A K B S- 0 0 11 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.211 101.2-151.9 -79.5 115.9 54.3 -9.6 18.5 48 48 A V T 3 + 0 0 96 1,-0.2 -4,-0.2 -4,-0.2 -5,-0.2 -0.317 65.0 3.1 -65.2 133.6 57.8 -11.0 18.9 49 49 A G T 3 S+ 0 0 24 -6,-2.7 -1,-0.2 2,-0.3 -6,-0.2 0.547 79.3 125.5 78.2 8.5 59.9 -9.9 21.9 50 50 A V S < S+ 0 0 3 -3,-1.3 13,-2.8 -8,-0.6 14,-0.4 0.879 85.2 35.4 -62.0 -36.8 57.4 -7.6 23.6 51 51 A F E S+F 62 0B 3 -9,-2.9 2,-0.3 -4,-0.3 -2,-0.3 -0.951 76.8 176.7-115.5 140.9 58.1 -9.9 26.7 52 52 A I E -F 61 0B 65 9,-2.0 9,-3.3 -2,-0.4 2,-0.4 -0.932 17.4-148.8-133.6 156.9 61.5 -11.3 27.4 53 53 A I E -F 60 0B 21 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.997 27.2-116.3-126.5 134.3 62.9 -13.5 30.2 54 54 A E > - 0 0 69 5,-2.2 4,-2.3 -2,-0.4 -18,-0.2 -0.612 25.7-138.4 -66.8 123.9 66.6 -13.2 31.4 55 55 A R T 4 S+ 0 0 148 -2,-0.4 -19,-2.6 1,-0.2 -1,-0.1 0.790 94.8 29.0 -61.9 -32.5 68.0 -16.7 30.7 56 56 A E T 4 S+ 0 0 102 -21,-0.2 -1,-0.2 1,-0.1 -22,-0.2 0.794 127.1 37.1 -95.9 -32.9 70.0 -17.0 33.9 57 57 A T T 4 S- 0 0 48 2,-0.1 -2,-0.2 -21,-0.1 3,-0.1 0.679 92.4-130.5 -96.5 -20.8 68.0 -15.0 36.5 58 58 A G < + 0 0 0 -4,-2.3 -34,-2.3 1,-0.3 2,-0.7 0.602 48.0 158.5 76.0 13.6 64.4 -15.7 35.4 59 59 A W E -E 23 0B 77 -36,-0.2 -5,-2.2 -5,-0.1 2,-0.4 -0.613 29.9-152.1 -71.6 114.1 63.5 -12.0 35.4 60 60 A L E +EF 22 53B 0 -38,-3.2 -39,-3.1 -2,-0.7 -38,-1.1 -0.750 23.0 179.4 -86.3 131.8 60.5 -11.6 33.1 61 61 A K E -EF 20 52B 28 -9,-3.3 -9,-2.0 -2,-0.4 2,-0.4 -0.930 30.6-131.6-135.9 156.9 60.3 -8.1 31.6 62 62 A V E -EF 19 51B 1 -43,-2.5 -43,-2.6 -2,-0.3 -11,-0.2 -0.912 16.2-166.9-109.0 138.9 58.2 -6.0 29.2 63 63 A T + 0 0 35 -13,-2.8 -12,-0.1 -2,-0.4 -46,-0.1 0.469 64.5 19.9-109.6 -6.4 60.2 -4.2 26.5 64 64 A Q S S- 0 0 27 -14,-0.4 -1,-0.1 196,-0.1 -51,-0.1 -0.976 92.2 -77.5-156.3 159.8 57.8 -1.6 25.0 65 65 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.336 47.5-132.5 -64.9 150.6 54.5 0.1 26.0 66 66 A L - 0 0 5 -56,-0.5 -54,-2.2 -4,-0.0 2,-0.4 -0.460 5.9-145.4 -98.2 170.4 51.3 -2.0 25.7 67 67 A D >> - 0 0 60 4,-0.4 4,-2.3 -56,-0.2 3,-1.7 -0.886 1.8-161.5-142.9 105.7 48.0 -1.1 24.1 68 68 A R T 34 S+ 0 0 48 -2,-0.4 -1,-0.1 31,-0.3 30,-0.1 0.808 92.2 56.8 -58.1 -33.9 44.8 -2.5 25.7 69 69 A E T 34 S+ 0 0 54 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.588 114.8 37.6 -77.5 -12.5 42.8 -1.8 22.6 70 70 A A T <4 S- 0 0 40 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.834 139.1 -0.6 -99.2 -60.7 45.1 -3.9 20.4 71 71 A I < + 0 0 31 -4,-2.3 -4,-0.4 213,-0.2 -1,-0.3 -0.947 60.2 175.7-134.6 114.5 46.0 -6.8 22.8 72 72 A A S S+ 0 0 44 -2,-0.4 26,-2.7 1,-0.2 2,-0.3 0.572 71.3 29.8 -93.1 -10.7 44.5 -6.7 26.3 73 73 A K E - C 0 97A 123 24,-0.2 2,-0.4 -5,-0.1 -1,-0.2 -0.976 60.8-162.3-153.7 131.6 45.9 -10.1 27.4 74 74 A Y E - C 0 96A 14 22,-2.5 22,-2.5 -2,-0.3 2,-0.6 -0.969 9.0-153.6-116.9 134.2 49.0 -12.1 26.6 75 75 A I E + C 0 95A 72 -2,-0.4 -34,-0.4 -34,-0.2 2,-0.3 -0.935 25.1 170.3-109.3 110.9 49.3 -15.8 27.5 76 76 A L E - C 0 94A 0 18,-3.0 18,-3.0 -2,-0.6 2,-0.4 -0.732 22.1-149.2-112.3 162.7 52.9 -16.9 28.0 77 77 A Y E -BC 39 93A 93 -38,-2.1 -38,-2.3 -2,-0.3 2,-0.3 -0.999 11.2-143.5-130.2 137.0 54.6 -20.0 29.2 78 78 A S E -BC 38 92A 11 14,-2.3 14,-1.6 -2,-0.4 2,-0.3 -0.734 15.2-162.0 -96.2 148.1 57.9 -20.2 31.1 79 79 A H E -B 37 0A 48 -42,-2.7 -42,-1.7 -2,-0.3 2,-0.4 -0.938 7.1-157.0-130.1 150.1 60.3 -23.1 30.5 80 80 A A E +B 36 0A 7 9,-0.4 8,-2.7 -2,-0.3 9,-0.8 -0.989 14.0 179.8-135.2 118.5 63.2 -24.3 32.6 81 81 A V E -BD 35 87A 48 -46,-2.6 -46,-2.9 -2,-0.4 6,-0.3 -0.978 23.3-128.3-126.6 130.5 66.0 -26.3 31.0 82 82 A S E > -B 34 0A 9 4,-3.0 3,-2.0 -2,-0.4 -48,-0.2 -0.298 32.2-107.0 -68.0 161.0 69.1 -27.8 32.7 83 83 A S T 3 S+ 0 0 75 -50,-1.8 -1,-0.1 1,-0.3 -49,-0.1 0.805 122.1 59.7 -59.4 -28.1 72.6 -27.1 31.3 84 84 A N T 3 S- 0 0 160 -51,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.578 124.4-103.2 -76.8 -9.1 72.6 -30.7 30.1 85 85 A G S < S+ 0 0 57 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.590 76.2 130.6 102.7 13.3 69.5 -30.1 28.1 86 86 A E - 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