==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 19-MAY-10 3N3E . COMPND 2 MOLECULE: ALPHA A CRYSTALLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR A.LAGANOWSKY,D.EISENBERG . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 48.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 2 2 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 1 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 61 A G 0 0 130 0, 0.0 3,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0-128.5 18.0 25.7 78.2 2 62 A V + 0 0 57 1,-0.1 15,-2.4 14,-0.1 2,-0.4 0.725 360.0 51.0 -82.7 -21.7 16.0 23.2 76.1 3 63 A S E +A 16 0A 26 13,-0.2 2,-0.4 11,-0.0 13,-0.2 -0.961 56.1 168.1-133.5 123.6 16.4 20.2 78.5 4 64 A E E -A 15 0A 84 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.993 15.4-157.5-134.8 141.8 15.8 19.7 82.2 5 65 A V E -A 14 0A 38 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.956 11.5-173.3-117.5 136.5 15.6 16.7 84.4 6 66 A R E -A 13 0A 126 7,-2.9 7,-2.7 -2,-0.4 2,-0.4 -0.927 1.6-172.6-125.5 153.7 13.8 16.6 87.8 7 67 A S E +A 12 0A 85 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.968 12.0 156.5-149.7 125.9 13.6 13.9 90.5 8 68 A D - 0 0 60 3,-2.3 78,-0.0 -2,-0.4 -2,-0.0 -0.801 59.9 -83.5-135.3-175.2 11.6 13.5 93.7 9 69 A R S S+ 0 0 220 -2,-0.2 3,-0.1 1,-0.2 77,-0.1 0.750 126.5 42.4 -65.2 -22.2 10.6 10.5 95.8 10 70 A E S S- 0 0 96 1,-0.2 76,-2.5 75,-0.1 2,-0.3 0.820 120.2 -2.5 -90.9 -37.3 7.5 9.9 93.5 11 71 A K E - B 0 85A 71 74,-0.2 -3,-2.3 54,-0.1 2,-0.5 -0.984 48.2-125.7-158.0 165.7 8.9 10.3 90.0 12 72 A F E -AB 7 84A 17 72,-2.6 72,-3.0 -2,-0.3 2,-0.4 -0.953 35.4-169.4-113.8 128.5 11.6 11.2 87.5 13 73 A T E -AB 6 83A 10 -7,-2.7 -7,-2.9 -2,-0.5 2,-0.5 -0.976 14.3-164.8-128.9 136.1 10.6 13.9 85.0 14 74 A V E -AB 5 82A 2 68,-2.4 68,-2.5 -2,-0.4 2,-0.5 -0.974 5.0-165.4-116.8 132.1 12.2 15.2 81.8 15 75 A Y E +AB 4 81A 67 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.4 -0.977 13.7 174.7-115.2 120.9 11.2 18.4 80.2 16 76 A L E -AB 3 80A 3 64,-2.7 64,-3.0 -2,-0.5 2,-0.7 -0.980 27.2-137.1-133.1 124.4 12.3 19.0 76.6 17 77 A D E + B 0 79A 61 -15,-2.4 62,-0.2 -2,-0.4 61,-0.1 -0.672 30.7 163.6 -80.1 115.2 11.4 21.9 74.4 18 78 A V > - 0 0 5 60,-3.3 3,-2.1 -2,-0.7 -1,-0.1 -0.353 21.2-168.9-125.1 51.5 10.6 20.5 70.9 19 79 A K T 3 + 0 0 119 1,-0.3 59,-0.1 58,-0.1 3,-0.1 -0.088 68.4 8.0 -50.2 133.0 8.8 23.6 69.5 20 80 A H T 3 S+ 0 0 119 1,-0.3 2,-0.3 56,-0.2 -1,-0.3 0.260 94.4 125.6 78.9 -11.9 7.0 23.0 66.1 21 81 A F < - 0 0 24 -3,-2.1 -1,-0.3 57,-0.1 -3,-0.1 -0.628 52.7-141.9 -76.3 137.3 7.5 19.2 66.2 22 82 A S > - 0 0 39 -2,-0.3 3,-1.3 -3,-0.1 4,-0.4 -0.562 24.3-108.3 -92.7 161.4 4.3 17.2 65.8 23 83 A P G > S+ 0 0 41 0, 0.0 3,-1.6 0, 0.0 78,-0.1 0.898 121.8 55.8 -53.4 -39.4 3.6 14.0 67.7 24 84 A D G 3 S+ 0 0 165 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.708 103.8 55.1 -67.2 -19.1 4.0 12.1 64.4 25 85 A E G < S+ 0 0 62 -3,-1.3 15,-1.6 14,-0.0 2,-0.4 0.402 98.9 76.0 -93.0 0.7 7.5 13.6 64.0 26 86 A L E < -E 39 0B 15 -3,-1.6 2,-0.4 -4,-0.4 13,-0.2 -0.923 57.4-167.9-117.3 138.6 8.6 12.3 67.4 27 87 A S E -E 38 0B 41 11,-2.6 11,-2.6 -2,-0.4 2,-0.5 -0.995 7.6-174.9-123.1 124.2 9.7 8.8 68.4 28 88 A V E +EF 37 99B 1 71,-0.5 71,-2.6 -2,-0.4 2,-0.3 -0.985 12.6 161.0-123.4 126.3 10.1 7.9 72.0 29 89 A K E -EF 36 98B 77 7,-2.3 7,-3.5 -2,-0.5 2,-0.7 -0.978 39.6-126.7-138.8 153.2 11.3 4.5 73.2 30 90 A V E +EF 35 97B 1 67,-3.0 67,-1.2 -2,-0.3 2,-0.4 -0.921 38.6 170.3 -93.8 119.2 12.8 2.9 76.2 31 91 A T E > -E 34 0B 36 3,-2.5 3,-1.0 -2,-0.7 -2,-0.1 -0.962 62.5 -23.4-133.7 117.5 16.0 1.2 75.0 32 92 A D T 3 S- 0 0 116 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.894 125.6 -46.4 55.1 48.5 18.6 -0.4 77.4 33 93 A D T 3 S+ 0 0 54 1,-0.3 28,-2.4 27,-0.1 2,-0.3 0.706 121.1 101.5 67.9 19.5 17.7 1.7 80.4 34 94 A Y E < S-EG 31 60B 40 -3,-1.0 -3,-2.5 26,-0.2 2,-0.6 -0.953 70.3-132.1-121.6 151.0 17.6 4.9 78.5 35 95 A V E -EG 30 59B 2 24,-2.5 24,-2.7 -2,-0.3 2,-0.5 -0.943 27.9-156.5 -95.8 125.4 14.7 6.9 77.1 36 96 A E E -EG 29 58B 39 -7,-3.5 -7,-2.3 -2,-0.6 2,-0.5 -0.878 10.5-171.9-105.3 127.4 15.5 7.7 73.5 37 97 A I E -EG 28 57B 0 20,-3.2 20,-3.2 -2,-0.5 2,-0.4 -0.984 5.2-179.9-120.9 125.0 13.8 10.6 71.8 38 98 A Q E +EG 27 56B 62 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.4 -0.970 4.3 176.7-125.6 139.5 14.2 11.1 68.1 39 99 A G E +EG 26 55B 4 16,-2.4 16,-2.3 -2,-0.4 2,-0.3 -0.996 15.5 179.2-143.0 142.5 12.7 13.9 66.1 40 100 A K E + G 0 54B 104 -15,-1.6 2,-0.4 -2,-0.4 14,-0.2 -0.917 12.6 172.3-142.7 124.8 12.7 15.3 62.6 41 101 A H E - G 0 53B 22 12,-2.5 12,-2.4 -2,-0.3 2,-0.4 -0.995 7.5-172.7-133.1 129.0 10.7 18.3 61.5 42 102 A G E + G 0 52B 17 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.907 9.4 170.8-116.6 148.7 10.7 20.2 58.2 43 103 A E E - G 0 51B 55 8,-2.5 8,-2.3 -2,-0.4 -2,-0.0 -0.986 32.9-104.3-155.0 150.4 9.0 23.4 57.3 44 104 A R E - G 0 50B 205 -2,-0.3 6,-0.3 6,-0.2 2,-0.3 -0.324 33.5-161.2 -62.2 150.4 8.7 26.1 54.6 45 105 A Q E > - G 0 49B 68 4,-2.2 4,-0.6 1,-0.1 3,-0.4 -0.803 34.6 -66.4-125.1 172.7 10.4 29.4 55.1 46 106 A D T >4 S+ 0 0 149 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 -0.130 112.0 14.5 -56.0 149.7 10.0 32.8 53.5 47 107 A D T 34 S- 0 0 70 1,-0.3 119,-0.7 118,-0.1 -1,-0.2 0.903 137.4 -49.1 51.7 54.0 10.8 33.3 49.8 48 108 A H T 34 S+ 0 0 128 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.591 101.6 140.5 67.7 14.2 11.1 29.6 48.8 49 109 A G E << -G 45 0B 3 -3,-1.3 -4,-2.2 -4,-0.6 2,-0.3 -0.250 31.8-163.9 -82.7 173.9 13.3 28.7 51.7 50 110 A Y E -GH 44 164B 91 114,-1.5 114,-2.9 -6,-0.3 2,-0.4 -0.982 7.8-162.0-156.2 145.1 13.1 25.5 53.8 51 111 A I E -GH 43 163B 6 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.4 -1.000 5.1-174.3-131.9 135.3 14.5 24.4 57.2 52 112 A S E -GH 42 162B 11 110,-2.1 110,-2.2 -2,-0.4 2,-0.4 -0.980 5.0-172.1-122.6 139.1 14.8 20.8 58.4 53 113 A R E +GH 41 161B 91 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.3 -1.000 4.8 177.7-132.1 135.3 15.9 19.9 62.0 54 114 A E E +GH 40 160B 55 106,-3.0 106,-2.3 -2,-0.4 2,-0.3 -0.976 2.5 172.0-133.5 147.9 16.6 16.5 63.3 55 115 A F E -GH 39 159B 23 -16,-2.3 -16,-2.4 -2,-0.3 2,-0.4 -0.996 20.9-156.8-151.7 157.2 17.9 15.3 66.7 56 116 A H E -GH 38 158B 54 102,-2.1 102,-1.9 -2,-0.3 2,-0.4 -0.958 20.0-179.4-134.4 116.0 18.5 12.1 68.7 57 117 A R E -GH 37 157B 16 -20,-3.2 -20,-3.2 -2,-0.4 2,-0.4 -0.913 9.7-167.9-115.5 142.0 18.5 12.4 72.5 58 118 A R E -GH 36 156B 55 98,-2.3 98,-2.0 -2,-0.4 2,-0.5 -0.999 5.3-162.3-127.6 131.1 19.0 9.6 75.1 59 119 A Y E -GH 35 155B 1 -24,-2.7 -24,-2.5 -2,-0.4 96,-0.2 -0.966 21.6-125.3-114.0 127.2 18.3 10.2 78.8 60 120 A R E -G 34 0B 108 94,-2.6 -26,-0.2 -2,-0.5 -27,-0.1 -0.488 26.8-142.4 -68.7 132.0 19.8 7.8 81.3 61 121 A L - 0 0 15 -28,-2.4 2,-0.1 -2,-0.2 -1,-0.1 -0.821 12.1-120.6 -99.9 135.2 17.1 6.3 83.5 62 122 A P > - 0 0 47 0, 0.0 3,-1.7 0, 0.0 -50,-0.1 -0.442 29.8-116.6 -65.6 150.3 17.6 5.6 87.3 63 123 A S T 3 S+ 0 0 122 1,-0.3 31,-0.0 -2,-0.1 -30,-0.0 0.742 110.6 60.3 -65.0 -22.1 17.1 1.9 88.1 64 124 A N T 3 S+ 0 0 73 2,-0.1 23,-2.5 22,-0.1 2,-0.4 0.381 77.0 105.2 -92.3 6.3 14.0 2.6 90.2 65 125 A V B < S-L 86 0C 3 -3,-1.7 2,-1.0 21,-0.2 21,-0.2 -0.730 76.7-125.3 -79.5 133.1 11.9 4.2 87.5 66 126 A D > - 0 0 27 19,-3.2 3,-1.6 -2,-0.4 4,-0.4 -0.714 21.8-164.4 -81.9 103.2 9.2 1.8 86.3 67 127 A Q G > S+ 0 0 7 -2,-1.0 3,-1.2 25,-0.6 27,-0.2 0.841 84.8 58.8 -61.4 -34.3 9.9 1.7 82.5 68 128 A S G 3 S+ 0 0 66 25,-1.3 -1,-0.3 1,-0.3 25,-0.1 0.682 107.2 48.3 -70.0 -16.9 6.5 0.2 81.8 69 129 A A G < S+ 0 0 37 -3,-1.6 -1,-0.3 16,-0.2 -2,-0.2 0.382 79.0 125.0-104.7 1.6 4.8 3.1 83.4 70 130 A I < - 0 0 5 -3,-1.2 2,-0.3 -4,-0.4 14,-0.2 -0.414 41.7-166.3 -63.1 133.1 6.7 5.9 81.6 71 131 A T E -C 83 0A 76 12,-2.2 12,-2.5 -2,-0.1 2,-0.4 -0.846 10.7-154.7-118.2 160.4 4.4 8.4 79.9 72 132 A C E +Cd 82 101A 3 28,-0.5 30,-2.2 -2,-0.3 2,-0.3 -0.986 13.3 179.4-137.5 122.8 5.1 11.1 77.3 73 133 A T E -Cd 81 102A 47 8,-2.4 8,-2.9 -2,-0.4 2,-0.4 -0.949 12.2-156.1-124.7 148.0 2.9 14.1 76.7 74 134 A L E -Cd 80 103A 5 28,-2.4 30,-2.8 -2,-0.3 6,-0.2 -0.981 12.3-147.7-124.5 130.0 3.3 17.0 74.3 75 135 A S > - 0 0 15 4,-2.2 3,-1.6 -2,-0.4 30,-0.1 -0.462 29.6-107.4 -92.4 169.9 1.8 20.4 74.9 76 136 A A T 3 S+ 0 0 52 30,-2.3 -56,-0.2 1,-0.3 -1,-0.1 0.832 120.4 57.1 -61.3 -31.7 0.5 22.9 72.3 77 137 A D T 3 S- 0 0 140 29,-0.2 -1,-0.3 2,-0.1 -58,-0.1 0.377 124.2-102.0 -85.1 3.7 3.5 25.1 73.1 78 138 A G S < S+ 0 0 4 -3,-1.6 -60,-3.3 1,-0.3 2,-0.6 0.636 70.4 146.6 88.5 16.4 5.9 22.3 72.2 79 139 A L E -B 17 0A 66 -62,-0.2 -4,-2.2 -61,-0.1 2,-0.5 -0.766 33.2-156.9 -85.9 121.2 6.9 21.1 75.7 80 140 A L E -BC 16 74A 0 -64,-3.0 -64,-2.7 -2,-0.6 2,-0.5 -0.865 8.8-166.8 -94.5 127.1 7.6 17.4 75.8 81 141 A T E -BC 15 73A 26 -8,-2.9 -8,-2.4 -2,-0.5 2,-0.5 -0.973 5.9-166.4-117.5 121.3 7.2 15.9 79.3 82 142 A L E -BC 14 72A 3 -68,-2.5 -68,-2.4 -2,-0.5 2,-0.5 -0.937 9.1-164.0-104.4 128.1 8.4 12.4 80.1 83 143 A C E -BC 13 71A 38 -12,-2.5 -12,-2.2 -2,-0.5 -70,-0.2 -0.960 8.1-174.3-117.8 124.3 7.1 11.1 83.4 84 144 A G E -B 12 0A 2 -72,-3.0 -72,-2.6 -2,-0.5 -14,-0.1 -0.905 16.1-146.4-121.7 100.8 8.7 8.1 85.0 85 145 A P E -B 11 0A 45 0, 0.0 -19,-3.2 0, 0.0 2,-0.3 -0.387 18.3-133.1 -59.6 137.3 7.0 6.7 88.2 86 146 A K B -L 65 0C 42 -76,-2.5 2,-0.3 -21,-0.2 -21,-0.2 -0.708 24.7-170.1 -93.5 149.8 9.4 5.4 90.7 87 147 A T - 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