==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 07-OCT-09 3K5S . COMPND 2 MOLECULE: CADHERIN-13; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR L.SHAPIRO,C.CIATTO . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 27.2 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 . 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 . 47 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 . 2 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 3 0 6 2 0 2 2 2 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 . 0 4 4 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 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 S 0 0 65 0, 0.0 2,-0.6 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 -38.3 -0.9 4.7 -10.3 2 2 A I - 0 0 14 87,-0.2 2,-0.7 88,-0.1 24,-0.3 -0.926 360.0-162.8 -94.6 120.2 -3.0 6.0 -13.2 3 3 A L B +A 25 0A 46 22,-3.4 22,-1.7 -2,-0.6 2,-0.6 -0.901 14.0 172.5-105.6 110.1 -6.5 4.6 -13.0 4 4 A A - 0 0 22 -2,-0.7 90,-0.3 88,-0.2 20,-0.1 -0.885 13.0-164.9-119.9 98.5 -8.3 4.9 -16.3 5 5 A T - 0 0 43 -2,-0.6 18,-0.2 18,-0.4 -2,-0.0 -0.533 37.1 -81.3 -85.6 146.2 -11.7 3.1 -16.3 6 6 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 89,-0.2 -0.166 46.7-145.5 -52.3 131.2 -13.7 2.3 -19.5 7 7 A I E -b 95 0B 13 87,-2.6 89,-2.9 -3,-0.1 2,-0.4 -0.864 8.0-156.9-104.8 128.1 -15.7 5.3 -20.7 8 8 A L E +b 96 0B 55 -2,-0.5 89,-0.2 87,-0.2 87,-0.0 -0.892 12.0 177.8-106.8 135.6 -19.1 5.1 -22.4 9 9 A I E -b 97 0B 1 87,-2.1 89,-2.2 -2,-0.4 2,-0.3 -0.998 26.8-126.7-134.2 132.0 -20.6 7.7 -24.7 10 10 A P E -b 98 0B 19 0, 0.0 55,-0.3 0, 0.0 3,-0.3 -0.587 31.2-119.3 -75.6 137.9 -23.9 7.6 -26.6 11 11 A E S S+ 0 0 1 87,-2.2 55,-0.2 -2,-0.3 87,-0.0 -0.103 91.8 34.9 -65.2 174.1 -23.6 8.3 -30.3 12 12 A N S S+ 0 0 27 53,-3.0 346,-0.7 1,-0.1 -1,-0.2 0.870 79.4 175.8 41.1 47.8 -25.4 11.3 -31.9 13 13 A Q - 0 0 27 -3,-0.3 -1,-0.1 52,-0.1 344,-0.1 -0.369 26.9-117.3 -66.0 159.0 -24.9 13.5 -28.9 14 14 A R - 0 0 74 342,-0.4 -1,-0.1 2,-0.1 49,-0.0 -0.805 37.7 -86.4-103.6 144.7 -26.1 17.1 -29.2 15 15 A P S S+ 0 0 86 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.178 76.8 98.1 -61.2 168.2 -24.0 20.3 -29.0 16 16 A P S S- 0 0 112 0, 0.0 -2,-0.1 0, 0.0 47,-0.1 0.371 77.5-132.2 -74.0 145.9 -22.7 22.5 -27.5 17 17 A F S S+ 0 0 53 45,-0.2 2,-0.1 -2,-0.1 45,-0.1 -0.781 73.9 58.4-107.7 160.6 -19.3 20.9 -27.5 18 18 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 44,-0.2 0.547 67.4-177.1 -77.8 161.5 -17.0 20.1 -25.9 19 19 A R E -E 61 0C 86 42,-2.0 42,-2.3 -2,-0.1 2,-0.4 -0.982 28.7-114.6-126.9 138.3 -18.8 17.8 -23.4 20 20 A S E +E 60 0C 75 -2,-0.4 40,-0.3 40,-0.2 3,-0.1 -0.577 36.2 167.2 -76.3 124.0 -17.2 16.0 -20.5 21 21 A V E - 0 0 26 38,-2.6 2,-0.3 -2,-0.4 -13,-0.2 0.483 58.0 -33.7-113.3 -8.6 -17.3 12.2 -20.9 22 22 A G E -E 59 0C 21 37,-1.4 37,-1.6 -15,-0.1 2,-0.3 -0.946 50.3-112.3 176.6-156.3 -15.0 11.1 -18.1 23 23 A K E -E 58 0C 107 35,-0.3 2,-0.6 -2,-0.3 -18,-0.4 -0.941 11.1-140.0-173.4 132.0 -11.9 11.5 -16.0 24 24 A V - 0 0 2 33,-3.2 2,-0.3 -2,-0.3 -20,-0.2 -0.938 21.5-161.9-108.5 119.6 -8.6 9.9 -15.4 25 25 A I B +A 3 0A 72 -22,-1.7 -22,-3.4 -2,-0.6 32,-0.1 -0.749 15.0 168.1 -96.6 145.0 -7.5 9.6 -11.8 26 26 A R - 0 0 45 -2,-0.3 -1,-0.1 -24,-0.3 2,-0.1 0.603 11.7-166.3-116.3 -85.1 -3.9 9.1 -10.8 27 27 A S + 0 0 59 -25,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.025 59.5 52.0 97.9 148.9 -2.4 9.4 -7.2 28 28 A E S S+ 0 0 167 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.967 78.4 112.5 57.1 80.0 1.2 9.6 -6.2 29 29 A G - 0 0 45 4,-0.0 -1,-0.2 59,-0.0 -2,-0.1 -0.897 59.0-106.4-178.0 148.5 2.8 12.3 -8.3 30 30 A T - 0 0 90 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 0.278 41.7 -91.3 -66.7-167.7 4.3 15.8 -8.1 31 31 A E S S+ 0 0 176 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.637 104.5 39.7-106.4 170.3 2.9 19.1 -9.2 32 32 A G S S+ 0 0 46 1,-0.3 -1,-0.1 -2,-0.2 48,-0.1 0.229 87.1 137.1 72.1 -16.9 3.2 20.9 -12.6 33 33 A A - 0 0 8 48,-0.1 2,-0.4 46,-0.1 -1,-0.3 -0.347 41.7-153.0 -61.4 140.5 2.8 17.3 -13.8 34 34 A K E -C 80 0B 76 46,-1.9 46,-2.2 -3,-0.1 21,-0.2 -0.931 12.8-126.6-128.6 140.4 0.4 17.1 -16.7 35 35 A F E -C 79 0B 15 19,-2.0 2,-0.3 -2,-0.4 44,-0.2 -0.532 25.9-168.6 -76.2 149.3 -2.0 14.5 -18.2 36 36 A R E -C 78 0B 104 42,-1.3 42,-1.7 -2,-0.2 2,-0.2 -0.890 4.6-159.3-147.6 115.7 -1.5 13.7 -21.9 37 37 A L E +C 77 0B 10 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.584 17.3 169.9 -95.3 155.4 -4.0 11.7 -24.1 38 38 A S E +C 76 0B 14 38,-1.2 38,-2.2 -2,-0.2 2,-0.2 -0.982 19.3 76.8-158.4 160.9 -3.1 10.0 -27.3 39 39 A G E >>>S-C 75 0B 10 -2,-0.3 3,-1.9 36,-0.2 4,-1.6 -0.659 84.7 -30.9 126.8 179.1 -4.2 7.6 -30.0 40 40 A K B 345S+g 44 0D 132 34,-0.5 5,-0.2 1,-0.3 34,-0.2 -0.601 130.9 39.0 -67.9 127.4 -6.5 7.5 -33.0 41 41 A G T 345S+ 0 0 0 3,-2.3 8,-1.9 -2,-0.4 9,-1.7 -0.007 123.9 43.3 112.9 -25.1 -9.2 9.9 -32.1 42 42 A V T <45S- 0 0 26 -3,-1.9 6,-2.3 2,-0.2 -2,-0.2 0.715 135.5 -7.7-112.0 -75.4 -6.7 12.3 -30.5 43 43 A D T <5S+ 0 0 72 -4,-1.6 2,-0.3 4,-0.2 -3,-0.2 0.057 124.7 61.5-120.6 22.5 -3.5 12.8 -32.4 44 44 A Q B S- 0 0 52 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.005 102.1-179.6 -83.6 99.9 -9.6 10.4 -37.0 47 47 A K T 3 + 0 0 126 1,-0.2 -4,-0.2 -4,-0.1 -5,-0.2 -0.064 44.6 31.7 -68.3 162.1 -7.8 13.2 -35.1 48 48 A G T 3 S+ 0 0 41 -6,-2.3 -6,-0.2 2,-0.2 -1,-0.2 0.431 77.2 108.9 89.0 3.3 -9.2 15.9 -32.9 49 49 A I S < S+ 0 0 7 -8,-1.9 13,-2.5 -3,-0.6 2,-0.4 0.878 72.4 41.1 -90.8 -36.6 -12.2 14.3 -31.2 50 50 A F E -F 61 0C 5 -9,-1.7 2,-0.3 11,-0.2 11,-0.3 -0.894 62.7-172.8-111.3 144.2 -11.2 13.7 -27.6 51 51 A R E -F 60 0C 138 9,-3.1 9,-2.1 -2,-0.4 2,-0.4 -0.836 11.1-149.2-120.1 164.4 -9.2 16.0 -25.3 52 52 A I E -F 59 0C 30 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.999 20.0-126.7-131.3 137.5 -7.8 15.7 -21.8 53 53 A N > - 0 0 72 5,-2.4 4,-1.2 -2,-0.4 -18,-0.1 -0.696 20.0-143.7 -73.3 127.9 -7.4 18.5 -19.3 54 54 A E T 4 S+ 0 0 99 -2,-0.4 -19,-2.0 2,-0.1 -1,-0.1 0.727 93.1 36.3 -74.7 -18.6 -3.8 18.4 -18.3 55 55 A I T 4 S+ 0 0 141 -21,-0.2 -1,-0.1 3,-0.1 -22,-0.0 0.907 127.7 27.3 -91.7 -58.5 -4.5 19.3 -14.7 56 56 A S T 4 S- 0 0 52 2,-0.1 -2,-0.1 -21,-0.1 3,-0.1 0.712 92.7-130.6 -83.8 -22.1 -7.8 17.7 -13.7 57 57 A G < + 0 0 0 -4,-1.2 -33,-3.2 1,-0.3 2,-0.3 0.725 47.7 160.9 77.9 20.8 -7.6 14.7 -16.1 58 58 A D E -E 23 0C 48 -35,-0.3 -5,-2.4 1,-0.0 2,-0.5 -0.588 30.7-144.3 -69.5 131.5 -11.1 15.4 -17.3 59 59 A V E -EF 22 52C 0 -37,-1.6 -38,-2.6 -2,-0.3 -37,-1.4 -0.896 22.4-179.3-103.0 129.3 -11.7 13.7 -20.6 60 60 A S E -EF 20 51C 20 -9,-2.1 -9,-3.1 -2,-0.5 2,-0.3 -0.901 21.3-139.4-128.8 155.8 -13.9 15.5 -23.1 61 61 A V E -EF 19 50C 0 -42,-2.3 -42,-2.0 -2,-0.3 -11,-0.2 -0.835 6.4-153.3-110.1 151.2 -15.3 14.9 -26.7 62 62 A T + 0 0 29 -13,-2.5 -45,-0.2 -2,-0.3 -12,-0.1 0.445 67.9 5.4-106.2 -0.1 -15.5 17.6 -29.3 63 63 A R S S- 0 0 124 -14,-0.3 -1,-0.2 -44,-0.1 -50,-0.1 -0.988 90.8 -58.8-174.7 161.9 -18.3 16.5 -31.5 64 64 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -53,-0.1 -0.262 50.2-138.9 -58.0 142.1 -21.1 14.0 -32.1 65 65 A L - 0 0 7 -55,-0.3 -53,-3.0 -4,-0.0 2,-0.6 -0.785 3.9-148.2-102.3 145.8 -19.9 10.3 -32.4 66 66 A D >> - 0 0 71 -2,-0.3 4,-2.5 -55,-0.2 3,-0.8 -0.949 0.8-160.3-114.6 114.0 -21.2 7.8 -34.9 67 67 A R T 34 S+ 0 0 36 -2,-0.6 -1,-0.1 1,-0.2 30,-0.1 0.878 92.5 53.1 -59.1 -39.7 -21.2 4.2 -33.7 68 68 A E T 34 S+ 0 0 55 1,-0.2 -1,-0.2 3,-0.1 3,-0.2 0.712 111.5 47.8 -71.9 -18.9 -21.4 2.7 -37.2 69 69 A A T <4 S- 0 0 71 -3,-0.8 2,-0.3 1,-0.4 -2,-0.2 0.932 136.3 -3.6 -81.1 -52.7 -18.4 4.7 -38.1 70 70 A I < + 0 0 52 -4,-2.5 -1,-0.4 1,-0.1 3,-0.1 -0.993 57.9 179.3-143.0 132.9 -16.3 3.8 -35.1 71 71 A A S S+ 0 0 35 -2,-0.3 26,-2.3 1,-0.3 2,-0.3 0.715 70.4 28.2-107.9 -29.7 -17.6 1.7 -32.1 72 72 A N E - D 0 96B 109 24,-0.2 2,-0.5 -5,-0.1 -1,-0.3 -0.980 60.5-151.4-133.9 147.1 -14.5 1.7 -29.9 73 73 A Y E - D 0 95B 18 22,-3.1 22,-2.0 -2,-0.3 2,-0.8 -0.977 5.0-157.5-116.4 129.8 -11.5 3.9 -29.2 74 74 A Q E + D 0 94B 122 -2,-0.5 -34,-0.5 -34,-0.2 2,-0.2 -0.880 29.1 169.6-103.3 100.8 -8.2 2.5 -28.1 75 75 A L E -CD 39 93B 0 18,-1.9 18,-2.1 -2,-0.8 2,-0.4 -0.653 26.2-143.8-110.5 164.3 -6.4 5.4 -26.3 76 76 A E E -CD 38 92B 87 -38,-2.2 -38,-1.2 16,-0.2 2,-0.4 -0.998 12.6-166.0-131.8 132.1 -3.3 5.8 -24.1 77 77 A V E +CD 37 91B 0 14,-2.6 14,-1.7 -2,-0.4 2,-0.3 -0.949 12.1 168.3-122.0 135.9 -2.9 8.2 -21.2 78 78 A E E -C 36 0B 22 -42,-1.7 -42,-1.3 -2,-0.4 2,-0.4 -0.997 29.8-128.4-145.4 148.4 0.3 9.2 -19.4 79 79 A V E -CD 35 88B 0 9,-1.1 8,-2.8 -2,-0.3 9,-1.5 -0.832 32.0-171.4 -94.6 136.1 1.6 11.8 -16.9 80 80 A T E -CD 34 86B 16 -46,-2.2 -46,-1.9 -2,-0.4 6,-0.2 -0.913 23.8-113.6-127.5 153.4 4.7 13.8 -17.9 81 81 A D > - 0 0 48 4,-2.1 3,-0.5 -2,-0.3 -49,-0.1 -0.380 46.6 -98.3 -68.6 158.2 7.1 16.3 -16.3 82 82 A L T 3 S+ 0 0 127 1,-0.2 -1,-0.1 2,-0.1 -50,-0.0 0.806 125.9 64.0 -46.6 -29.0 7.2 19.9 -17.6 83 83 A S T 3 S- 0 0 93 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.948 115.7-109.1 -61.3 -58.4 10.1 18.5 -19.6 84 84 A G S < S+ 0 0 48 -3,-0.5 2,-0.3 1,-0.4 -2,-0.1 0.129 76.0 123.9 142.4 -17.5 8.3 15.9 -21.7 85 85 A K - 0 0 131 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.4 -0.529 68.2-107.5 -77.8 133.9 9.5 12.7 -20.2 86 86 A I E + D 0 80B 60 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.305 37.0 172.8 -57.8 140.4 7.0 10.2 -18.8 87 87 A I E S+ 0 0 57 -8,-2.8 2,-0.2 1,-0.1 -7,-0.2 0.399 79.7 39.8-124.4 -8.7 6.8 10.1 -15.1 88 88 A D E S- D 0 79B 24 -9,-1.5 -9,-1.1 -59,-0.0 -1,-0.1 -0.667 99.2-124.3-141.8 79.7 3.8 7.8 -14.9 89 89 A G E - 0 0 42 -2,-0.2 -10,-0.2 -11,-0.2 -87,-0.2 0.307 41.0 -77.4 -27.9 154.3 4.2 5.2 -17.6 90 90 A P E - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -12,-0.2 0.005 44.7-170.8 -63.4 153.8 1.3 4.9 -20.2 91 91 A V E - D 0 77B 42 -14,-1.7 -14,-2.6 -3,-0.1 2,-0.4 -0.962 26.8-103.9-136.8 163.1 -2.1 3.1 -19.6 92 92 A R E - 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