==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COHESIN 19-JUL-96 1ANU . COMPND 2 MOLECULE: COHESIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR L.J.W.SHIMON,S.YARON,Y.SHOHAM,R.LAMED,E.MORAG,E.A.BAYER, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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-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 0.7 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 . 16 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 0 1 3 1 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 . 0 1 0 1 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 1 A V 0 0 33 0, 0.0 129,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.9 4.6 40.8 28.9 2 2 A V E -Ab 23 130A 43 21,-3.0 21,-2.5 127,-0.2 2,-0.5 -0.992 360.0-160.1-130.3 133.3 6.5 43.3 31.1 3 3 A V E -Ab 22 131A 0 127,-2.8 129,-2.6 -2,-0.4 2,-0.5 -0.974 15.1-171.5-113.8 121.0 10.3 43.5 31.5 4 4 A E E -Ab 21 132A 37 17,-2.3 17,-3.2 -2,-0.5 2,-0.5 -0.957 18.3-149.1-121.9 125.4 11.5 45.4 34.6 5 5 A I E -A 20 0A 1 127,-2.8 15,-0.2 -2,-0.5 106,-0.1 -0.780 34.9-122.5 -86.5 124.7 15.0 46.4 35.5 6 6 A G - 0 0 6 13,-2.8 129,-2.1 -2,-0.5 2,-0.5 -0.226 10.5-128.6 -69.3 159.4 15.2 46.3 39.3 7 7 A K E +e 135 0B 129 127,-0.2 2,-0.2 126,-0.1 129,-0.2 -0.940 36.6 164.4-110.6 118.6 16.2 49.2 41.7 8 8 A V E -e 136 0B 38 127,-2.5 129,-2.9 -2,-0.5 130,-0.4 -0.774 26.2-133.4-126.5 175.1 18.9 48.5 44.2 9 9 A T + 0 0 116 -2,-0.2 2,-0.3 127,-0.2 127,-0.0 -0.934 27.4 158.8-130.1 151.4 21.2 50.4 46.5 10 10 A G - 0 0 19 -2,-0.3 2,-0.3 6,-0.1 6,-0.1 -0.974 33.0-107.8-169.0 157.4 25.0 50.1 47.2 11 11 A S > - 0 0 85 -2,-0.3 3,-2.4 1,-0.1 92,-0.4 -0.649 45.2 -89.8 -95.9 151.5 28.1 51.9 48.5 12 12 A V T 3 S+ 0 0 82 1,-0.3 92,-0.2 -2,-0.3 -1,-0.1 -0.237 114.7 25.4 -54.2 133.1 31.0 53.2 46.5 13 13 A G T 3 S+ 0 0 60 90,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.170 102.0 103.8 95.4 -18.1 33.7 50.5 46.2 14 14 A T < - 0 0 65 -3,-2.4 89,-2.5 89,-0.1 2,-0.5 -0.555 68.2-121.4 -97.9 164.5 31.3 47.6 46.6 15 15 A T E - C 0 102A 80 87,-0.2 87,-0.2 -2,-0.2 2,-0.2 -0.889 31.3-175.3-106.9 128.6 29.8 45.2 44.0 16 16 A V E - C 0 101A 20 85,-3.0 85,-2.1 -2,-0.5 2,-0.4 -0.739 20.2-132.5-118.6 169.7 26.1 44.9 43.5 17 17 A E E - C 0 100A 90 -2,-0.2 83,-0.2 83,-0.2 81,-0.0 -0.988 12.5-163.0-125.6 121.7 23.6 42.7 41.5 18 18 A I E - C 0 99A 0 81,-2.7 81,-2.9 -2,-0.4 2,-0.2 -0.925 15.7-148.0-106.2 118.8 20.8 44.3 39.5 19 19 A P E - C 0 98A 21 0, 0.0 -13,-2.8 0, 0.0 2,-0.5 -0.619 2.0-146.7 -86.5 150.0 18.1 41.8 38.6 20 20 A V E -AC 5 97A 0 77,-2.4 76,-3.0 -2,-0.2 77,-1.0 -0.975 20.1-153.2-115.6 119.6 16.0 41.9 35.4 21 21 A Y E -AC 4 95A 87 -17,-3.2 -17,-2.3 -2,-0.5 2,-0.4 -0.721 11.3-159.8 -99.0 148.2 12.4 40.6 35.8 22 22 A F E +AC 3 94A 0 72,-2.3 72,-1.8 -2,-0.3 2,-0.3 -0.985 20.1 172.7-121.3 127.7 10.0 39.1 33.2 23 23 A R E +A 2 0A 92 -21,-2.5 -21,-3.0 -2,-0.4 69,-0.0 -0.995 55.4 32.9-139.1 147.2 6.3 39.1 34.1 24 24 A G S S- 0 0 48 -2,-0.3 -1,-0.1 -23,-0.2 -21,-0.0 0.781 73.0-179.5 81.5 25.8 3.1 38.3 32.2 25 25 A V - 0 0 21 -3,-0.1 -1,-0.2 1,-0.1 68,-0.2 -0.414 26.5-118.2 -60.5 129.3 4.9 35.5 30.3 26 26 A P > - 0 0 24 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.289 18.8-109.6 -70.6 160.2 2.5 33.8 27.9 27 27 A S T 3 S+ 0 0 101 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.865 117.6 54.2 -54.5 -45.9 1.5 30.1 28.0 28 28 A K T 3 S- 0 0 99 1,-0.2 -1,-0.3 95,-0.0 94,-0.1 0.691 108.9-136.9 -63.7 -21.7 3.4 29.2 24.7 29 29 A G < - 0 0 0 -3,-1.2 2,-0.5 92,-0.1 93,-0.5 -0.291 20.3 -69.7 91.4-179.1 6.5 30.7 26.3 30 30 A I E -GH 90 121C 0 60,-1.5 60,-2.2 91,-0.2 91,-0.3 -0.981 39.1-179.1-116.9 118.8 9.1 33.0 24.9 31 31 A A E - 0 0 7 89,-2.2 50,-2.8 -2,-0.5 2,-0.3 0.747 67.2 -6.5 -88.4 -30.2 11.4 31.4 22.3 32 32 A N E +IH 80 120C 51 88,-1.2 88,-1.8 48,-0.2 -1,-0.3 -0.985 58.9 161.1-163.8 157.3 13.7 34.4 21.6 33 33 A C E -IH 79 119C 4 46,-2.4 46,-3.1 -2,-0.3 2,-0.3 -0.944 10.3-168.1-172.8 155.4 14.2 38.1 22.3 34 34 A D E +I 78 0C 59 84,-1.8 83,-2.8 -2,-0.3 2,-0.3 -0.979 14.6 157.9-154.6 145.1 16.8 40.8 22.2 35 35 A F E -IH 77 116C 1 42,-1.6 42,-2.7 -2,-0.3 2,-0.4 -0.978 29.0-122.3-162.1 165.2 17.1 44.3 23.5 36 36 A V E -IH 76 115C 30 79,-2.5 78,-2.4 -2,-0.3 79,-1.2 -0.934 16.5-163.9-121.0 143.3 19.5 47.1 24.4 37 37 A F E -IH 75 113C 0 38,-2.4 38,-2.3 -2,-0.4 2,-0.3 -0.928 13.0-138.2-123.1 149.7 19.9 49.0 27.7 38 38 A R E +IH 74 112C 117 74,-2.5 74,-1.8 -2,-0.3 2,-0.3 -0.822 28.6 162.7-106.0 144.7 21.8 52.2 28.4 39 39 A Y - 0 0 12 34,-1.8 72,-0.1 -2,-0.3 70,-0.0 -0.925 39.0-107.9-150.0 174.3 24.0 52.8 31.4 40 40 A D >> - 0 0 65 70,-0.5 4,-2.6 -2,-0.3 3,-1.4 -0.906 16.5-163.2-114.4 107.9 26.8 55.2 32.7 41 41 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.515 88.9 63.5 -65.4 -6.0 30.3 53.6 32.8 42 42 A N T 34 S+ 0 0 116 3,-0.0 3,-0.1 1,-0.0 67,-0.0 0.727 114.0 30.5 -88.1 -26.7 31.4 56.4 35.1 43 43 A V T <4 S+ 0 0 9 -3,-1.4 61,-3.2 1,-0.3 62,-0.9 0.846 128.8 33.2 -94.7 -46.7 29.0 55.4 37.8 44 44 A L E < -D 103 0A 1 -4,-2.6 2,-0.6 59,-0.2 -1,-0.3 -0.936 59.8-160.1-120.1 132.8 28.8 51.7 37.2 45 45 A E E -D 102 0A 93 57,-1.9 57,-2.5 -2,-0.4 2,-0.6 -0.944 22.6-138.6-108.7 112.4 31.5 49.3 36.0 46 46 A I E +D 101 0A 21 -2,-0.6 55,-0.3 55,-0.2 3,-0.1 -0.635 24.0 177.4 -75.4 116.4 29.8 46.1 34.7 47 47 A I E - 0 0 79 53,-2.9 2,-0.3 -2,-0.6 54,-0.2 0.780 63.0 -36.4 -87.6 -33.5 31.9 43.0 35.8 48 48 A G E -D 100 0A 15 52,-1.5 52,-3.2 2,-0.0 2,-0.4 -0.951 46.2-128.1 179.3 163.9 29.6 40.4 34.3 49 49 A I E -D 99 0A 16 -2,-0.3 50,-0.2 50,-0.2 17,-0.1 -0.990 24.8-162.6-132.3 121.6 26.0 39.5 33.5 50 50 A D E -D 98 0A 68 48,-2.7 48,-2.4 -2,-0.4 15,-0.1 -0.818 23.8-106.7-109.4 146.3 24.6 36.0 34.5 51 51 A P E -D 97 0A 36 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.334 37.1-123.7 -66.8 144.0 21.4 34.1 33.3 52 52 A G > - 0 0 8 44,-2.6 3,-1.1 8,-0.1 44,-0.2 -0.205 26.5 -98.6 -81.1 178.8 18.5 34.0 35.6 53 53 A D T 3 S+ 0 0 115 1,-0.2 43,-0.1 42,-0.1 -1,-0.1 0.627 114.8 70.7 -75.7 -13.6 16.7 30.9 37.0 54 54 A I T 3 S+ 0 0 0 41,-1.5 2,-1.3 1,-0.1 37,-0.3 0.651 72.9 97.8 -76.1 -12.7 13.9 31.1 34.4 55 55 A I < - 0 0 10 -3,-1.1 34,-0.1 40,-0.3 35,-0.1 -0.648 57.4-173.8 -77.0 96.6 16.4 30.0 31.7 56 56 A V + 0 0 78 -2,-1.3 -1,-0.2 32,-0.2 33,-0.1 0.631 43.8 117.4 -68.9 -17.8 15.6 26.3 31.7 57 57 A D - 0 0 6 31,-0.3 6,-0.1 1,-0.2 4,-0.1 -0.352 69.6-134.4 -54.6 123.0 18.5 25.4 29.3 58 58 A P S S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.697 106.7 38.8 -53.2 -24.4 20.7 23.0 31.4 59 59 A N S > S- 0 0 83 1,-0.1 3,-2.6 0, 0.0 4,-0.5 -0.701 80.7-171.8-129.0 78.2 23.7 25.0 30.1 60 60 A P T 3> S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.678 76.0 70.7 -42.3 -33.8 22.2 28.6 30.2 61 61 A T T 34 S+ 0 0 91 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.667 92.3 59.6 -64.3 -18.1 25.2 30.1 28.4 62 62 A K T <4 S+ 0 0 123 -3,-2.6 -1,-0.2 1,-0.1 18,-0.1 0.889 116.0 30.3 -77.4 -41.6 24.1 28.4 25.2 63 63 A S T 4 S+ 0 0 3 -4,-0.5 17,-2.3 -3,-0.4 2,-0.4 0.652 118.0 62.9 -88.7 -21.2 20.7 30.1 25.0 64 64 A F E < +J 79 0C 5 -4,-2.0 2,-0.3 15,-0.2 15,-0.2 -0.927 58.3 161.7-115.8 131.9 21.8 33.3 26.8 65 65 A D E -J 78 0C 93 13,-1.9 13,-2.8 -2,-0.4 2,-0.3 -0.978 11.0-174.4-145.0 152.3 24.4 35.9 25.6 66 66 A T E -J 77 0C 41 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.970 9.2-158.6-144.3 155.2 25.3 39.5 26.3 67 67 A A E -J 76 0C 25 9,-1.6 9,-3.1 -2,-0.3 2,-0.5 -0.995 10.2-155.5-135.7 137.9 27.7 42.1 24.9 68 68 A I E -J 75 0C 54 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.974 9.1-175.5-120.9 124.9 28.9 45.2 26.8 69 69 A Y E >> -J 74 0C 130 5,-2.8 5,-2.0 -2,-0.5 4,-1.1 -0.832 2.5-178.8-123.6 92.8 30.1 48.3 25.1 70 70 A P T >45S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.921 83.4 49.8 -52.0 -56.2 31.4 50.9 27.6 71 71 A D T 345S+ 0 0 164 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.854 117.1 41.8 -55.1 -39.5 32.3 53.6 25.0 72 72 A R T 345S- 0 0 181 2,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.615 107.4-133.3 -82.2 -16.1 28.9 53.3 23.5 73 73 A K T <<5 + 0 0 83 -4,-1.1 -34,-1.8 -3,-0.8 2,-0.3 0.847 61.8 120.8 65.6 38.7 27.3 53.1 27.0 74 74 A I E < -IJ 38 69C 29 -5,-2.0 -5,-2.8 -36,-0.2 2,-0.4 -0.925 50.3-154.7-134.5 159.5 25.1 50.1 26.1 75 75 A I E -IJ 37 68C 0 -38,-2.3 -38,-2.4 -2,-0.3 2,-0.5 -0.998 16.9-151.2-129.4 129.7 24.5 46.5 27.1 76 76 A V E -IJ 36 67C 28 -9,-3.1 -9,-1.6 -2,-0.4 2,-0.5 -0.923 5.4-162.2-110.5 126.7 23.0 44.0 24.6 77 77 A F E -IJ 35 66C 1 -42,-2.7 -42,-1.6 -2,-0.5 2,-0.5 -0.912 9.0-179.0-107.3 124.9 20.9 41.1 25.7 78 78 A L E +IJ 34 65C 84 -13,-2.8 -13,-1.9 -2,-0.5 2,-0.5 -0.960 2.6 178.6-128.7 115.0 20.3 38.1 23.3 79 79 A F E +IJ 33 64C 3 -46,-3.1 -46,-2.4 -2,-0.5 2,-0.4 -0.968 6.0 167.1-117.2 123.1 18.1 35.1 24.2 80 80 A A E -I 32 0C 61 -17,-2.3 -48,-0.2 -2,-0.5 2,-0.1 -0.916 41.6-119.3-139.9 102.7 17.6 32.3 21.6 81 81 A E > - 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