==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 26-JAN-12 4DGU . COMPND 2 MOLECULE: PUTATIVE CELL ADHESION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 456 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 38 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 5 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 . 0 0 2 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 . 4 6 2 10 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 32 A T 0 0 141 0, 0.0 55,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -49.3 28.7 -12.4 47.7 2 33 A N E -A 55 0A 62 53,-0.2 2,-0.3 54,-0.1 53,-0.2 -0.791 360.0-146.4-117.2 159.3 29.1 -11.4 51.4 3 34 A F E -A 54 0A 0 51,-2.3 51,-2.2 -2,-0.3 103,-0.2 -0.968 5.8-140.8-128.3 147.2 27.6 -8.6 53.6 4 35 A S E -b 106 0B 43 101,-2.8 103,-2.5 -2,-0.3 2,-0.4 -0.588 20.2-127.7 -97.4 162.7 28.9 -6.5 56.4 5 36 A I E -b 107 0B 15 47,-0.4 45,-0.4 -2,-0.2 2,-0.4 -0.906 16.1-165.8-114.5 142.4 26.8 -5.5 59.5 6 37 A S E -b 108 0B 33 101,-1.9 103,-2.3 -2,-0.4 2,-0.7 -0.971 21.3-128.8-124.5 139.1 26.3 -2.0 60.9 7 38 A I E +b 109 0B 15 -2,-0.4 19,-0.2 101,-0.2 2,-0.2 -0.821 39.5 160.5 -94.1 110.8 24.8 -1.4 64.4 8 39 A D E -b 110 0B 61 101,-3.0 103,-2.3 -2,-0.7 2,-0.3 -0.610 35.1-106.5-120.8 178.5 21.9 1.0 64.4 9 40 A D E -b 111 0B 33 101,-0.3 103,-0.2 -2,-0.2 2,-0.1 -0.870 27.5-114.5-110.5 146.4 19.1 1.9 66.8 10 41 A A - 0 0 13 101,-2.5 2,-0.3 -2,-0.3 10,-0.1 -0.469 37.3-120.7 -73.7 147.2 15.4 1.0 66.5 11 42 A L + 0 0 100 -2,-0.1 449,-2.8 449,-0.1 2,-0.2 -0.640 27.6 179.0 -89.4 155.5 13.0 4.0 66.2 12 43 A S - 0 0 13 -2,-0.3 447,-0.2 447,-0.3 6,-0.1 -0.542 56.1 -46.2-128.3-170.8 10.1 5.2 68.2 13 44 A D > - 0 0 82 445,-0.5 3,-1.9 -2,-0.2 -1,-0.2 -0.307 59.1-112.6 -56.5 146.7 7.9 8.3 67.6 14 45 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.738 116.5 47.6 -56.9 -25.2 9.9 11.5 66.8 15 46 A L T 3 S+ 0 0 160 2,-0.1 2,-0.5 0, 0.0 -2,-0.1 0.509 94.2 96.6 -94.8 -2.8 8.9 13.1 70.1 16 47 A T < - 0 0 52 -3,-1.9 2,-0.3 442,-0.1 -4,-0.2 -0.737 66.5-135.8-102.5 134.9 9.7 10.1 72.3 17 48 A R - 0 0 130 -2,-0.5 2,-0.3 3,-0.0 194,-0.1 -0.602 24.5-174.8 -73.5 130.0 12.8 9.5 74.4 18 49 A T >> - 0 0 7 -2,-0.3 3,-1.4 192,-0.1 4,-0.5 -0.866 41.1-111.7-119.2 159.3 14.2 5.9 74.2 19 50 A S H 3> S+ 0 0 0 190,-1.6 4,-3.1 -2,-0.3 3,-0.4 0.706 115.2 72.4 -63.3 -21.5 17.1 4.6 76.1 20 51 A N H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.802 88.9 60.7 -60.2 -34.2 18.9 4.4 72.7 21 52 A D H <4 S+ 0 0 84 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.2 28.6 -60.0 -43.4 19.1 8.3 72.8 22 53 A L H < S+ 0 0 77 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.800 135.8 31.3 -85.6 -41.6 21.2 8.2 76.0 23 54 A F S < S- 0 0 49 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.791 82.9-156.5-122.6 79.8 22.8 4.8 75.4 24 55 A P >> - 0 0 16 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.322 22.1-126.4 -60.1 140.8 23.2 4.3 71.6 25 56 A A H >> S+ 0 0 1 1,-0.3 4,-3.1 2,-0.2 3,-1.4 0.856 110.2 62.7 -54.7 -37.4 23.5 0.5 70.5 26 57 A R H 34 S+ 0 0 135 1,-0.3 -1,-0.3 -19,-0.2 -19,-0.1 0.643 97.3 58.2 -62.1 -20.5 26.8 1.3 68.6 27 58 A N H <4 S+ 0 0 112 -3,-1.9 -1,-0.3 1,-0.1 3,-0.2 0.705 116.1 34.1 -83.4 -20.4 28.3 2.3 72.1 28 59 A S H << S+ 0 0 24 -3,-1.4 2,-1.3 -4,-0.6 -2,-0.2 0.841 117.7 51.7 -94.8 -50.1 27.6 -1.2 73.5 29 60 A I S < S+ 0 0 4 -4,-3.1 -1,-0.2 4,-0.1 -22,-0.1 -0.689 81.1 159.6 -95.5 81.2 28.1 -3.3 70.3 30 61 A T > - 0 0 63 -2,-1.3 3,-2.1 -3,-0.2 19,-0.2 -0.343 52.7 -58.6 -93.1 175.1 31.5 -2.0 69.3 31 62 A T T 3 S+ 0 0 90 1,-0.3 19,-0.2 -2,-0.1 -1,-0.2 -0.362 127.4 26.0 -58.6 132.5 34.2 -3.6 67.0 32 63 A G T 3 S+ 0 0 34 17,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.175 89.7 126.9 95.9 -15.1 35.1 -7.1 68.4 33 64 A E < - 0 0 70 -3,-2.1 16,-3.0 16,-0.1 2,-0.4 -0.514 55.0-133.9 -74.3 142.8 31.8 -7.6 70.2 34 65 A V E -C 48 0B 54 14,-0.2 40,-0.8 -2,-0.2 2,-0.3 -0.870 22.6-176.0-103.6 133.4 30.0 -10.9 69.3 35 66 A I E -C 47 0B 0 12,-2.2 12,-1.9 -2,-0.4 2,-0.6 -0.881 28.5-122.3-120.5 154.3 26.2 -11.1 68.5 36 67 A S E -CD 46 71B 4 35,-2.0 35,-2.1 -2,-0.3 2,-0.4 -0.905 40.3-177.5 -94.8 114.8 24.0 -14.1 67.8 37 68 A X E +CD 45 70B 0 8,-3.0 8,-2.7 -2,-0.6 2,-0.3 -0.939 10.2 169.5-122.9 143.6 22.5 -13.6 64.4 38 69 A A E - D 0 69B 4 31,-2.2 31,-2.5 -2,-0.4 2,-0.3 -0.987 30.5-126.7-144.7 150.8 20.0 -15.6 62.3 39 70 A A E > - D 0 68B 5 -2,-0.3 3,-1.6 4,-0.3 29,-0.2 -0.720 61.4 -70.9 -88.6 150.8 17.9 -15.3 59.2 40 71 A S T 3 S+ 0 0 66 27,-2.4 21,-0.3 -2,-0.3 22,-0.2 -0.090 122.9 14.6 -46.3 133.6 14.2 -16.0 59.7 41 72 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 19,-0.1 2,-0.2 0.610 111.1 99.5 74.7 16.2 13.5 -19.8 60.4 42 73 A Q S < S- 0 0 108 -3,-1.6 -1,-0.3 16,-0.1 2,-0.2 -0.764 77.1 -90.4-127.5 168.2 17.2 -20.5 61.0 43 74 A D - 0 0 90 -2,-0.2 -4,-0.3 -3,-0.1 2,-0.2 -0.551 42.6-105.5 -82.3 149.2 19.5 -21.0 64.1 44 75 A Y - 0 0 24 36,-2.5 -6,-0.2 -2,-0.2 -1,-0.1 -0.522 40.8-174.4 -72.1 128.6 21.4 -18.1 65.8 45 76 A T E -C 37 0B 54 -8,-2.7 -8,-3.0 -2,-0.2 -10,-0.1 -0.938 30.5 -96.2-124.2 148.6 25.2 -18.2 64.9 46 77 A P E -C 36 0B 95 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.352 36.4-172.2 -66.6 149.1 27.9 -16.0 66.3 47 78 A F E -C 35 0B 3 -12,-1.9 -12,-2.2 5,-0.1 2,-0.7 -0.966 18.9-139.4-142.6 123.2 29.0 -12.8 64.4 48 79 A I E >> -C 34 0B 63 -2,-0.3 4,-2.8 -14,-0.2 3,-1.3 -0.772 28.8-128.9 -87.5 114.3 32.1 -10.6 65.3 49 80 A V T 34 S+ 0 0 8 -16,-3.0 -17,-2.9 -2,-0.7 -16,-0.1 -0.397 86.3 10.5 -68.9 137.9 31.0 -7.0 64.7 50 81 A G T 34 S+ 0 0 54 -45,-0.4 -1,-0.2 -19,-0.2 -19,-0.1 0.491 132.4 52.0 71.3 8.4 33.3 -4.8 62.6 51 82 A K T <4 S+ 0 0 145 -3,-1.3 -2,-0.2 1,-0.0 -1,-0.1 0.572 90.7 71.6-133.3 -53.8 35.3 -7.9 61.6 52 83 A D < - 0 0 68 -4,-2.8 -47,-0.4 -48,-0.0 2,-0.3 -0.144 51.8-163.1 -73.0 164.4 33.1 -10.6 60.2 53 84 A S - 0 0 69 -49,-0.1 2,-0.4 -4,-0.1 -49,-0.2 -0.951 15.3-139.1-140.8 139.8 31.2 -10.8 56.9 54 85 A R E -A 3 0A 16 -51,-2.2 -51,-2.3 -2,-0.3 2,-0.1 -0.933 17.7-117.1-110.5 140.6 28.4 -13.3 56.3 55 86 A A E > -A 2 0A 18 -2,-0.4 3,-0.9 -53,-0.2 -53,-0.2 -0.434 21.4-126.9 -66.4 140.9 27.8 -15.3 53.0 56 87 A W T 3 S+ 0 0 24 -55,-2.6 -1,-0.1 1,-0.2 -54,-0.1 0.400 103.5 72.6 -76.8 10.7 24.5 -14.5 51.2 57 88 A N T 3 S+ 0 0 123 -56,-0.2 2,-2.2 1,-0.2 3,-0.4 0.832 75.2 81.2 -87.2 -36.3 23.6 -18.3 51.2 58 89 A E < + 0 0 89 -3,-0.9 -1,-0.2 1,-0.2 -16,-0.1 -0.501 63.3 101.7 -69.5 73.7 22.9 -18.3 55.0 59 90 A I S > S- 0 0 22 -2,-2.2 3,-1.2 1,-0.3 2,-0.2 0.214 74.6-136.9-140.4 5.9 19.4 -16.9 54.5 60 91 A G T 3 - 0 0 31 -3,-0.4 -1,-0.3 1,-0.2 -19,-0.1 -0.490 67.3 -29.4 70.5-132.8 17.2 -20.0 54.9 61 92 A T T 3 S+ 0 0 146 -21,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.004 99.8 134.0-108.5 23.0 14.3 -20.3 52.3 62 93 A A < - 0 0 37 -3,-1.2 2,-0.3 -22,-0.2 4,-0.1 -0.441 30.4-178.4 -71.8 149.7 14.0 -16.5 51.9 63 94 A T + 0 0 132 2,-0.4 2,-1.9 -2,-0.1 -2,-0.0 -0.970 62.6 5.6-146.2 148.0 13.7 -14.8 48.5 64 95 A G S S+ 0 0 51 -2,-0.3 2,-0.4 38,-0.0 -2,-0.1 -0.518 131.2 22.5 80.3 -76.9 13.4 -11.1 47.6 65 96 A T S S- 0 0 91 -2,-1.9 -2,-0.4 36,-0.2 2,-0.4 -0.985 70.8-153.8-125.5 140.2 13.9 -9.8 51.1 66 97 A V E - E 0 100B 1 34,-3.5 34,-2.5 -2,-0.4 2,-0.5 -0.923 7.4-146.7-112.3 135.6 15.6 -11.5 54.1 67 98 A T E - E 0 99B 29 -2,-0.4 -27,-2.4 32,-0.2 2,-0.3 -0.898 15.4-162.9-104.4 128.0 14.8 -10.7 57.7 68 99 A F E -DE 39 98B 0 30,-2.3 30,-1.5 -2,-0.5 2,-0.3 -0.799 3.2-162.7-108.8 150.8 17.7 -11.0 60.2 69 100 A Y E -DE 38 97B 69 -31,-2.5 -31,-2.2 -2,-0.3 2,-0.3 -0.988 10.1-174.4-132.8 136.8 17.4 -11.3 64.1 70 101 A A E -DE 37 96B 0 26,-2.4 26,-2.6 -2,-0.3 2,-0.4 -0.999 14.2-155.7-142.5 143.0 20.2 -10.6 66.5 71 102 A H E -DE 36 95B 1 -35,-2.1 -35,-2.0 -2,-0.3 24,-0.2 -0.925 18.5-136.6-113.6 136.8 20.9 -10.9 70.3 72 103 A Y E S+ E 0 94B 22 22,-2.3 22,-3.3 -2,-0.4 2,-0.2 -0.975 92.1 35.3-136.8 122.9 23.4 -8.8 72.2 73 104 A P S S- 0 0 33 0, 0.0 -38,-0.1 0, 0.0 -37,-0.1 0.582 114.3-101.5 -64.7 165.9 25.2 -10.2 74.3 74 105 A A - 0 0 41 -40,-0.8 -2,-0.1 -2,-0.2 2,-0.1 -0.180 38.6-111.0 -58.7 151.1 25.5 -13.5 72.3 75 106 A L - 0 0 21 -4,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.359 29.8 -96.3 -78.4 166.2 23.3 -16.5 73.3 76 107 A T > - 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