==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 20-DEC-10 3Q2V . COMPND 2 MOLECULE: CADHERIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR X.JIN,O.J.HARRISON,L.SHAPIRO . 972 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 150 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 1 2 1 0 5 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 . 6 9 13 2 5 6 3 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 . 9 9 6 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 0 106 0, 0.0 560,-2.3 0, 0.0 2,-1.2 0.000 360.0 360.0 360.0 157.9 -1.5 -31.6 43.4 2 2 A W E -A 560 0A 30 558,-0.2 558,-0.3 534,-0.2 534,-0.1 -0.666 360.0-173.9 -76.8 96.3 -2.4 -28.1 42.4 3 3 A V E -A 559 0A 26 -2,-1.2 556,-0.7 556,-0.8 91,-0.1 -0.155 26.3-107.0 -83.1-178.4 -1.4 -26.1 45.4 4 4 A I - 0 0 28 89,-0.5 91,-0.4 554,-0.1 3,-0.1 -0.967 38.5-113.0-113.4 127.1 -1.9 -22.4 46.2 5 5 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 90,-0.1 0.008 44.1 -80.4 -53.8 163.5 1.2 -20.1 46.0 6 6 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.554 44.1-141.4 -75.2 124.6 2.6 -18.5 49.2 7 7 A I E -b 96 0B 36 88,-1.8 90,-1.9 -2,-0.4 2,-0.5 -0.671 11.7-153.8 -88.9 141.3 0.8 -15.4 50.2 8 8 A S E -b 97 0B 68 -2,-0.3 90,-0.2 88,-0.2 88,-0.1 -0.952 9.9-173.0-121.5 120.0 2.7 -12.4 51.6 9 9 A C E -b 98 0B 13 88,-1.3 90,-1.2 -2,-0.5 2,-0.4 -0.965 29.0-122.8-115.1 122.1 1.4 -9.8 54.0 10 10 A P E > -b 99 0B 49 0, 0.0 3,-0.7 0, 0.0 56,-0.2 -0.486 39.7-111.4 -59.2 111.3 3.5 -6.7 54.8 11 11 A E T 3 S+ 0 0 0 88,-1.7 56,-0.2 -2,-0.4 61,-0.0 0.025 96.9 21.3 -50.1 152.0 3.9 -6.7 58.6 12 12 A N T 3 S+ 0 0 72 54,-3.6 -1,-0.2 1,-0.2 55,-0.1 0.777 81.3 179.8 59.4 29.2 2.2 -4.0 60.6 13 13 A E < - 0 0 64 -3,-0.7 2,-0.6 53,-0.2 -1,-0.2 -0.385 15.5-151.8 -55.0 132.3 -0.3 -3.3 57.8 14 14 A K + 0 0 100 51,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.936 46.5 102.4-115.5 110.3 -2.7 -0.5 58.9 15 15 A G S S- 0 0 42 -2,-0.6 2,-0.8 4,-0.0 4,-0.0 -0.737 80.3 -49.6-156.9-160.0 -6.1 -0.8 57.3 16 16 A E S S- 0 0 89 -2,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.840 75.8-108.1 -96.4 111.2 -9.6 -1.9 58.1 17 17 A F S S+ 0 0 67 -2,-0.8 46,-0.1 2,-0.1 2,-0.1 -0.518 87.9 45.5 -87.4 153.6 -9.5 -5.4 59.6 18 18 A P S S- 0 0 61 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.605 72.6-167.0 -86.4 166.4 -10.1 -8.1 58.9 19 19 A K E -F 62 0C 53 43,-2.4 43,-3.3 45,-0.2 2,-0.3 -0.936 20.8-117.7-122.7 134.8 -8.7 -8.3 55.4 20 20 A N E +F 61 0C 89 -2,-0.4 41,-0.3 41,-0.3 3,-0.1 -0.488 27.9 176.7 -74.4 129.4 -9.2 -11.0 52.9 21 21 A L E - 0 0 34 39,-2.8 2,-0.2 1,-0.4 40,-0.2 0.888 60.1 -26.8 -91.6 -71.0 -6.2 -13.0 51.7 22 22 A V E - 0 0 39 38,-0.2 38,-2.5 -15,-0.0 2,-0.4 -0.772 51.5-125.1-135.9-178.8 -7.5 -15.7 49.3 23 23 A Q E -F 59 0C 54 36,-0.3 36,-0.3 -2,-0.2 2,-0.2 -0.974 23.7-159.2-136.8 121.2 -10.6 -17.7 48.5 24 24 A I - 0 0 6 34,-3.6 2,-0.3 -2,-0.4 514,-0.1 -0.639 7.0-172.3-103.2 158.1 -10.5 -21.4 48.3 25 25 A K E -H 537 0D 58 512,-0.8 512,-2.5 -2,-0.2 2,-0.5 -0.995 17.7-150.5-146.8 142.7 -12.9 -23.9 46.6 26 26 A S E > -H 536 0D 0 -2,-0.3 3,-2.7 510,-0.2 510,-0.2 -0.987 20.4-140.1-111.3 125.9 -13.4 -27.6 46.5 27 27 A N G > S+ 0 0 70 508,-1.9 3,-1.0 -2,-0.5 4,-0.2 0.778 102.7 68.1 -59.4 -23.5 -14.8 -28.7 43.2 28 28 A R G >> + 0 0 72 507,-0.5 4,-1.5 1,-0.3 3,-0.7 0.454 69.8 102.7 -69.9 -0.3 -17.0 -31.1 45.1 29 29 A D G <4 S+ 0 0 31 -3,-2.7 5,-0.3 1,-0.3 -1,-0.3 0.659 82.1 45.2 -61.8 -14.2 -18.7 -28.0 46.5 30 30 A K G <4 S+ 0 0 182 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.631 105.6 55.6-107.7 -17.7 -21.6 -28.7 44.1 31 31 A E T <4 S+ 0 0 127 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.657 129.5 3.7 -82.5 -18.9 -22.1 -32.4 44.6 32 32 A T S < S- 0 0 36 -4,-1.5 2,-0.5 50,-0.0 -1,-0.3 -0.966 86.2 -95.0-158.3 154.3 -22.4 -31.5 48.3 33 33 A K - 0 0 91 -2,-0.3 50,-1.4 -3,-0.1 2,-0.3 -0.581 49.5-159.1 -69.0 116.1 -22.6 -28.4 50.6 34 34 A V E -C 82 0B 6 -2,-0.5 2,-0.5 -5,-0.3 48,-0.3 -0.783 11.0-149.1-109.2 145.9 -19.0 -28.0 51.8 35 35 A F E -C 81 0B 74 46,-2.9 46,-0.7 -2,-0.3 2,-0.2 -0.932 14.1-144.2-122.9 115.0 -17.7 -26.2 54.8 36 36 A Y E +C 80 0B 7 19,-2.9 2,-0.3 -2,-0.5 44,-0.2 -0.497 25.3 162.8 -87.1 138.8 -14.3 -24.6 54.8 37 37 A S E -C 79 0B 27 42,-1.4 42,-3.0 -2,-0.2 2,-0.3 -0.987 19.5-153.9-148.7 149.5 -12.0 -24.4 57.8 38 38 A I E -C 78 0B 12 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.856 11.5-166.9-120.6 161.8 -8.4 -23.7 58.3 39 39 A T E +C 77 0B 36 38,-1.4 38,-1.2 -2,-0.3 2,-0.2 -0.904 31.2 66.7-137.6 167.7 -6.1 -24.8 61.2 40 40 A G S >>>S- 0 0 7 -2,-0.3 3,-3.0 36,-0.2 5,-2.2 -0.533 84.2 -16.4 119.2-177.6 -2.7 -24.1 62.6 41 41 A Q B 345S+i 45 0E 99 34,-0.5 34,-0.3 1,-0.3 7,-0.1 -0.478 135.7 19.3 -68.4 100.7 -0.5 -21.5 64.3 42 42 A G T 345S+ 0 0 0 3,-3.7 9,-3.3 5,-1.4 8,-1.1 0.147 127.0 57.5 121.5 -11.5 -2.5 -18.3 63.8 43 43 A A T <45S- 0 0 13 -3,-3.0 6,-1.7 2,-0.5 -2,-0.2 0.757 135.5 -23.7-110.1 -74.4 -5.7 -20.2 63.1 44 44 A D T <5S+ 0 0 85 -4,-1.5 -3,-0.2 4,-0.2 4,-0.1 0.626 129.5 67.9-112.9 -28.8 -6.6 -22.5 65.9 45 45 A K B - 0 0 81 5,-1.5 4,-2.7 -2,-0.4 5,-0.5 -0.737 24.2-142.6 -80.3 128.6 -15.4 -17.9 56.1 55 55 A R T 4 S+ 0 0 128 -2,-0.5 -19,-2.9 1,-0.2 -1,-0.1 0.836 93.3 38.1 -66.8 -36.3 -17.0 -21.4 56.2 56 56 A E T 4 S+ 0 0 145 -21,-0.2 -1,-0.2 1,-0.1 -22,-0.1 0.864 127.9 32.3 -82.8 -39.6 -19.4 -20.9 53.3 57 57 A T T 4 S- 0 0 59 2,-0.1 -2,-0.2 -21,-0.1 3,-0.1 0.721 93.7-135.2 -91.5 -25.5 -17.2 -18.8 51.0 58 58 A G < + 0 0 0 -4,-2.7 -34,-3.6 1,-0.2 2,-0.6 0.873 43.1 165.8 68.0 37.5 -13.9 -20.3 52.0 59 59 A W E -F 23 0C 77 -5,-0.5 -5,-1.5 -36,-0.3 2,-0.3 -0.791 29.7-145.3 -87.8 116.7 -12.3 -16.8 52.2 60 60 A L E + G 0 53C 0 -38,-2.5 -39,-2.8 -2,-0.6 2,-0.3 -0.623 30.7 167.5 -72.0 137.4 -9.0 -16.7 53.9 61 61 A K E -FG 20 52C 28 -9,-2.6 -9,-3.2 -41,-0.3 2,-0.3 -0.992 30.0-130.7-151.6 156.6 -8.6 -13.4 55.9 62 62 A V E -FG 19 51C 2 -43,-3.3 -43,-2.4 -2,-0.3 -11,-0.2 -0.805 11.3-170.7-110.2 154.9 -6.4 -11.9 58.5 63 63 A T + 0 0 39 -13,-2.6 -1,-0.1 -2,-0.3 -13,-0.1 0.814 67.1 37.2-112.9 -52.5 -7.6 -10.1 61.6 64 64 A Q S S- 0 0 99 -14,-0.4 2,-0.5 -15,-0.1 -45,-0.2 -0.185 92.9 -94.5 -83.9-177.0 -4.7 -8.4 63.3 65 65 A P - 0 0 61 0, 0.0 -54,-0.1 0, 0.0 -51,-0.1 -0.925 50.6-122.5 -92.5 134.7 -1.8 -6.7 61.7 66 66 A L - 0 0 4 -2,-0.5 -54,-3.6 -56,-0.2 2,-0.4 -0.326 15.2-146.2 -76.6 158.0 1.0 -9.2 61.4 67 67 A D > - 0 0 60 -56,-0.2 4,-2.4 4,-0.2 3,-0.2 -0.967 4.0-163.1-125.8 120.7 4.5 -8.8 62.9 68 68 A R T 4 S+ 0 0 49 -2,-0.4 -1,-0.1 31,-0.3 30,-0.1 0.826 91.0 54.8 -69.9 -35.2 7.4 -10.3 61.1 69 69 A E T 4 S+ 0 0 58 2,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.857 116.6 41.0 -65.3 -33.2 9.8 -10.2 64.0 70 70 A A T 4 S+ 0 0 73 1,-0.3 2,-0.5 -3,-0.2 -2,-0.2 0.984 138.8 0.9 -76.2 -73.4 7.3 -12.2 66.0 71 71 A I < + 0 0 52 -4,-2.4 -1,-0.3 1,-0.1 -4,-0.2 -0.989 64.4 178.1-119.2 119.3 6.0 -14.7 63.4 72 72 A A S S+ 0 0 48 -2,-0.5 26,-2.4 1,-0.2 2,-0.3 0.600 70.1 28.8 -94.1 -15.6 7.7 -14.4 60.0 73 73 A K E - D 0 97B 105 24,-0.2 2,-0.5 -5,-0.1 24,-0.3 -0.990 64.6-155.0-148.8 133.5 5.9 -17.3 58.3 74 74 A Y E - D 0 96B 7 22,-3.6 22,-3.7 -2,-0.3 2,-0.6 -0.941 3.9-164.2-111.7 132.3 2.5 -18.8 58.8 75 75 A I E + D 0 95B 82 -2,-0.5 -34,-0.5 -34,-0.3 20,-0.2 -0.960 21.9 168.5-115.6 117.2 1.7 -22.4 57.8 76 76 A L E - D 0 94B 0 18,-4.2 18,-3.7 -2,-0.6 2,-0.4 -0.674 22.9-142.0-121.6 171.4 -2.0 -23.1 57.6 77 77 A Y E -CD 39 93B 91 -38,-1.2 -38,-1.4 16,-0.3 2,-0.3 -1.000 8.2-142.0-141.5 139.6 -4.2 -25.9 56.3 78 78 A S E -CD 38 92B 0 14,-1.6 14,-1.2 -2,-0.4 2,-0.4 -0.777 15.4-163.2-100.7 142.8 -7.6 -25.9 54.5 79 79 A H E -C 37 0B 52 -42,-3.0 -42,-1.4 -2,-0.3 2,-0.5 -0.986 7.4-160.9-129.5 128.5 -10.3 -28.4 55.2 80 80 A A E +C 36 0B 1 -2,-0.4 9,-1.3 -44,-0.2 8,-1.0 -0.934 16.9 170.3-106.7 127.6 -13.3 -29.3 53.2 81 81 A V E -CE 35 87B 43 -46,-0.7 -46,-2.9 -2,-0.5 6,-0.3 -0.995 28.2-128.3-136.7 126.7 -16.2 -31.1 55.0 82 82 A S E > -C 34 0B 11 4,-2.9 3,-1.6 -2,-0.4 -48,-0.2 -0.072 35.5 -99.2 -65.6 174.3 -19.6 -31.7 53.5 83 83 A S T 3 S+ 0 0 66 -50,-1.4 -1,-0.1 1,-0.3 -49,-0.1 0.448 125.0 62.9 -73.9 1.5 -22.7 -30.7 55.3 84 84 A N T 3 S- 0 0 148 -51,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.221 118.5-108.5-108.6 10.9 -22.8 -34.5 56.2 85 85 A G S < S+ 0 0 59 -3,-1.6 2,-0.5 1,-0.3 -2,-0.1 0.297 76.6 132.4 85.1 -10.8 -19.6 -34.4 58.2 86 86 A E - 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