==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFREEZE PROTEIN 31-OCT-02 1N4I . COMPND 2 MOLECULE: THERMAL HYSTERESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHORISTONEURA FUMIFERANA; . AUTHOR S.P.GRAETHER,S.M.GAGNE,L.SPYRACOPOULOS,Z.JIA,P.L.DAVIES, . 90 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 9 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.2 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+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 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 117 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -71.6 47.7 8.7 2.2 2 2 A G + 0 0 49 1,-0.2 15,-0.0 0, 0.0 0, 0.0 -0.592 360.0 74.0 97.0-162.3 46.3 7.3 -1.0 3 3 A S + 0 0 119 -2,-0.2 -1,-0.2 16,-0.0 16,-0.1 -0.013 57.2 105.1 47.0-158.9 47.6 8.2 -4.5 4 4 A a - 0 0 27 14,-0.1 2,-0.1 1,-0.1 17,-0.1 0.462 41.7-169.3 65.2 143.0 51.0 6.5 -5.4 5 5 A T - 0 0 91 17,-0.1 2,-3.4 4,-0.1 -1,-0.1 -0.448 16.2-153.4-167.6 84.3 51.1 3.5 -7.8 6 6 A N S S- 0 0 4 1,-0.3 18,-1.1 17,-0.1 19,-0.7 -0.276 85.7 -51.9 -62.3 72.5 54.3 1.5 -8.2 7 7 A T S S+ 0 0 79 -2,-3.4 -1,-0.3 15,-0.3 16,-0.1 0.537 142.7 1.2 70.5 2.6 53.4 0.4 -11.7 8 8 A N S S- 0 0 103 18,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.152 101.0-119.6 175.0 -31.3 50.0 -0.7 -10.2 9 9 A S + 0 0 40 -3,-0.3 17,-0.1 1,-0.1 -4,-0.1 0.782 35.5 172.8 73.8 111.6 50.1 0.1 -6.5 10 10 A Q + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.033 6.5 172.6-139.6 33.1 49.7 -2.8 -4.1 11 11 A L - 0 0 46 1,-0.1 16,-0.2 2,-0.1 17,-0.2 -0.232 37.1-130.2 -48.1 113.8 50.3 -1.3 -0.7 12 12 A S - 0 0 32 15,-2.1 16,-0.1 14,-1.2 -1,-0.1 0.880 53.3 -84.7 -32.9 -67.2 49.4 -4.1 1.7 13 13 A A S S+ 0 0 95 14,-0.0 -1,-0.1 3,-0.0 -2,-0.1 0.218 119.4 44.7 179.9 -32.9 47.1 -2.0 3.8 14 14 A N S S+ 0 0 89 2,-0.1 14,-0.1 0, 0.0 -2,-0.1 0.214 83.6 117.6-114.1 15.4 49.0 -0.0 6.5 15 15 A S - 0 0 22 12,-0.2 2,-0.3 14,-0.2 16,-0.2 0.058 57.5-127.7 -68.3-171.5 51.9 1.1 4.2 16 16 A K + 0 0 75 15,-0.2 2,-0.3 -15,-0.1 -2,-0.1 -1.000 26.3 171.4-144.0 142.3 52.6 4.8 3.6 17 17 A a + 0 0 9 -2,-0.3 16,-0.1 1,-0.1 15,-0.1 -0.934 15.2 147.0-153.7 126.8 53.0 6.9 0.3 18 18 A E S S- 0 0 121 -2,-0.3 -14,-0.1 14,-0.2 15,-0.1 0.648 83.1 -22.6-126.0 -51.7 53.3 10.6 -0.2 19 19 A K S S+ 0 0 166 14,-0.3 2,-0.1 -16,-0.1 14,-0.1 -0.144 87.5 130.7-162.0 55.5 55.6 11.4 -3.2 20 20 A S - 0 0 22 12,-0.1 14,-0.2 14,-0.1 16,-0.1 -0.324 53.5-125.3-101.2-171.8 58.1 8.6 -3.9 21 21 A T + 0 0 93 14,-1.5 13,-0.1 -2,-0.1 12,-0.0 -0.443 43.4 156.7-135.1 63.9 59.0 6.9 -7.2 22 22 A L - 0 0 18 14,-0.2 2,-0.3 16,-0.1 -15,-0.3 -0.154 22.7-157.2 -78.9-179.0 58.5 3.1 -6.7 23 23 A T - 0 0 56 -17,-0.3 17,-0.3 17,-0.1 -16,-0.2 -0.815 66.8 -10.1-164.2 119.1 57.9 0.6 -9.5 24 24 A N S S+ 0 0 103 -18,-1.1 -17,-0.2 -2,-0.3 14,-0.1 0.944 97.6 135.3 58.0 45.8 56.3 -2.9 -9.5 25 25 A b - 0 0 7 -19,-0.7 16,-0.2 14,-0.2 -1,-0.1 -0.152 43.0-170.8-105.9-155.5 56.3 -2.9 -5.7 26 26 A Y - 0 0 69 14,-0.2 -14,-1.2 -17,-0.1 15,-0.2 0.170 23.7-162.7-167.5 -40.8 53.7 -3.8 -3.0 27 27 A V - 0 0 0 13,-0.4 -15,-2.1 -16,-0.2 2,-0.3 0.493 1.7-152.4 54.6 149.7 55.2 -2.7 0.3 28 28 A D - 0 0 25 -17,-0.2 16,-2.2 -16,-0.1 17,-0.4 -0.901 68.2 -13.2-156.4 122.3 53.9 -4.0 3.7 29 29 A K S S+ 0 0 111 -2,-0.3 16,-1.3 14,-0.3 15,-0.6 0.962 107.9 112.5 49.7 55.0 53.9 -2.3 7.1 30 30 A S - 0 0 3 14,-0.3 16,-0.2 13,-0.1 -1,-0.2 -0.811 55.9-151.9-143.0-175.6 56.3 0.3 5.8 31 31 A E + 0 0 63 -2,-0.2 -15,-0.2 -16,-0.2 15,-0.1 0.582 22.1 171.1-128.2 -67.1 56.5 4.1 4.9 32 32 A V - 0 0 2 15,-0.7 16,-0.3 32,-0.1 -14,-0.2 0.331 10.1-174.4 62.6 154.0 59.0 5.0 2.2 33 33 A Y S S+ 0 0 79 15,-0.1 -14,-0.3 -16,-0.1 15,-0.2 0.416 77.5 6.4-150.1 -43.0 59.1 8.6 0.8 34 34 A G S S+ 0 0 18 -14,-0.2 15,-0.2 -13,-0.1 14,-0.1 0.062 85.9 139.1-138.0 25.4 61.6 8.9 -2.1 35 35 A T - 0 0 0 14,-0.3 -14,-1.5 12,-0.1 2,-0.3 -0.388 48.4-140.8 -71.8 151.5 62.6 5.3 -2.7 36 36 A T - 0 0 56 14,-1.7 -14,-0.2 -16,-0.1 16,-0.1 -0.380 23.8-167.0-109.1 55.8 63.0 4.1 -6.3 37 37 A b - 0 0 0 -2,-0.3 16,-0.1 1,-0.1 -12,-0.1 -0.034 9.8-171.3 -40.3 140.8 61.6 0.5 -5.9 38 38 A T S S- 0 0 80 14,-0.5 -1,-0.1 -16,-0.1 -14,-0.1 0.214 73.6 -40.6-123.7 13.3 62.4 -1.6 -9.0 39 39 A G S S+ 0 0 37 -16,-0.1 2,-0.2 16,-0.1 -14,-0.2 0.605 103.1 110.7 128.5 51.8 60.2 -4.6 -8.2 40 40 A S - 0 0 5 -17,-0.3 -13,-0.4 14,-0.1 2,-0.3 -0.671 47.5-136.2-134.7-169.2 60.5 -5.5 -4.5 41 41 A R - 0 0 83 14,-0.2 16,-1.1 -2,-0.2 2,-0.2 -0.935 7.2-143.7-147.4 170.7 58.4 -5.4 -1.3 42 42 A F - 0 0 0 -2,-0.3 -12,-0.1 14,-0.2 16,-0.1 -0.766 8.1-169.8-130.9 178.2 58.6 -4.5 2.4 43 43 A D S S- 0 0 48 -2,-0.2 16,-1.7 -14,-0.2 -14,-0.3 -0.195 79.8 -13.7-169.4 65.9 57.3 -5.8 5.7 44 44 A G S S+ 0 0 15 -16,-2.2 18,-1.8 -15,-0.6 17,-1.8 0.831 95.7 128.9 103.3 49.2 57.8 -3.4 8.7 45 45 A V E -a 62 0A 1 -16,-1.3 18,-0.2 -17,-0.4 -1,-0.1 -0.668 47.7-151.9-125.7-176.5 60.3 -0.8 7.5 46 46 A T E +a 63 0A 27 16,-1.7 18,-1.5 -2,-0.2 -16,-0.1 -0.273 35.2 154.3-153.2 55.5 60.6 3.0 7.3 47 47 A I + 0 0 0 16,-0.2 -15,-0.7 1,-0.1 18,-0.2 -0.268 13.5 176.7 -82.2 174.1 62.8 3.9 4.3 48 48 A T + 0 0 35 16,-0.5 2,-2.3 -16,-0.3 -15,-0.1 -0.421 59.6 4.5-146.2-136.4 62.7 7.2 2.4 49 49 A T S S+ 0 0 91 -15,-0.2 2,-0.3 -2,-0.1 -14,-0.3 -0.295 93.1 128.5 -58.3 82.2 64.7 8.7 -0.5 50 50 A S - 0 0 1 -2,-2.3 -14,-1.7 16,-0.3 2,-0.5 -0.997 55.9-131.3-142.4 145.6 66.8 5.6 -1.1 51 51 A T E +b 68 0B 59 16,-0.6 18,-3.6 -2,-0.3 2,-0.4 -0.820 31.5 167.5 -98.4 128.2 67.6 3.4 -4.2 52 52 A S E -b 69 0B 0 -2,-0.5 2,-0.8 16,-0.2 -14,-0.5 -0.985 23.8-153.7-141.2 130.4 67.1 -0.4 -3.8 53 53 A T E S-b 70 0B 57 16,-0.7 18,-2.4 -2,-0.4 19,-0.4 -0.849 77.0 -32.5-106.0 105.3 67.1 -3.1 -6.5 54 54 A G S S+ 0 0 19 -2,-0.8 2,-0.3 17,-0.2 -1,-0.3 0.924 89.1 152.9 51.3 91.1 65.1 -6.1 -5.4 55 55 A S - 0 0 0 34,-0.3 2,-1.1 16,-0.2 -14,-0.2 -0.876 46.5-132.7-154.9 119.2 65.7 -6.1 -1.6 56 56 A R - 0 0 109 -2,-0.3 32,-0.2 1,-0.2 -14,-0.2 -0.557 22.2-177.7 -72.8 102.0 63.5 -7.5 1.2 57 57 A I + 0 0 0 -16,-1.1 29,-0.2 -2,-1.1 -1,-0.2 0.326 29.0 147.6 -84.1 12.5 63.5 -4.6 3.7 58 58 A S + 0 0 22 -17,-0.2 28,-0.3 -16,-0.1 -14,-0.2 0.002 15.9 129.8 -42.7 153.6 61.4 -6.7 6.1 59 59 A G S > S- 0 0 16 -16,-1.7 2,-2.5 3,-0.1 3,-0.6 -0.699 70.1 -95.8 159.5 147.6 62.2 -6.0 9.8 60 60 A P T 3 S- 0 0 149 0, 0.0 -15,-0.1 0, 0.0 -16,-0.1 -0.283 120.2 -12.4 -76.6 55.3 60.5 -5.2 13.1 61 61 A G T 3 S- 0 0 35 -2,-2.5 -16,-0.2 -17,-1.8 23,-0.1 0.562 84.6-172.9 123.6 21.5 61.2 -1.4 12.5 62 62 A c E < -a 45 0A 0 -18,-1.8 -16,-1.7 -3,-0.6 2,-0.4 -0.189 9.2-162.2 -47.0 123.3 63.6 -1.5 9.6 63 63 A K E +a 46 0A 102 -18,-0.2 20,-0.4 2,-0.0 2,-0.3 -0.872 14.6 171.6-112.4 145.6 64.8 2.1 9.1 64 64 A I + 0 0 3 -18,-1.5 -16,-0.5 -2,-0.4 2,-0.4 -0.923 9.6 175.3-155.0 126.8 66.4 3.5 5.9 65 65 A S S S- 0 0 56 -2,-0.3 -15,-0.1 1,-0.2 -18,-0.1 -0.858 74.0 -17.5-136.3 103.1 67.3 7.1 4.8 66 66 A T S S+ 0 0 51 -2,-0.4 2,-0.4 1,-0.2 -16,-0.3 0.983 80.8 157.7 68.2 80.1 69.2 7.6 1.6 67 67 A d - 0 0 0 13,-0.2 2,-1.7 -19,-0.1 -16,-0.6 -0.956 37.2-149.9-139.0 120.4 70.7 4.1 0.7 68 68 A I E +b 51 0B 63 -2,-0.4 7,-0.2 7,-0.2 -16,-0.2 -0.575 35.0 170.7 -88.5 79.4 71.8 3.0 -2.7 69 69 A I E -b 52 0B 0 -18,-3.6 -16,-0.7 -2,-1.7 2,-0.3 -0.585 15.1-174.0 -89.4 152.7 71.0 -0.7 -2.2 70 70 A T E S-b 53 0B 81 3,-2.9 -16,-0.1 -18,-0.3 -15,-0.1 -0.758 70.4 -3.8-150.5 100.8 71.1 -3.2 -5.1 71 71 A G S S- 0 0 37 -18,-2.4 -16,-0.2 -2,-0.3 -17,-0.2 0.825 132.3 -50.0 88.8 33.1 70.1 -6.9 -4.7 72 72 A G S S+ 0 0 11 -19,-0.4 15,-0.4 1,-0.2 -1,-0.1 0.701 118.0 114.4 77.9 15.5 69.4 -6.7 -0.9 73 73 A V - 0 0 76 -20,-0.2 -3,-2.9 13,-0.1 -1,-0.2 -0.976 63.2-133.6-125.8 129.7 72.9 -5.1 -0.5 74 74 A P - 0 0 58 0, 0.0 -5,-0.2 0, 0.0 -22,-0.1 -0.482 24.5-127.7 -76.0 144.6 73.5 -1.5 0.7 75 75 A A - 0 0 30 -7,-0.2 2,-3.3 -2,-0.2 -7,-0.2 -0.534 33.3 -91.8 -90.9 162.0 76.1 0.5 -1.3 76 76 A P S S+ 0 0 143 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.323 72.6 148.5 -69.0 66.2 79.1 2.4 0.2 77 77 A S > - 0 0 45 -2,-3.3 3,-0.9 1,-0.1 -2,-0.0 -0.897 45.8-152.9-108.1 125.8 77.1 5.6 0.6 78 78 A A T 3 S+ 0 0 116 -2,-0.5 -1,-0.1 1,-0.2 -11,-0.0 0.541 95.9 63.1 -71.8 -1.9 77.9 7.9 3.6 79 79 A A T 3 S+ 0 0 51 -13,-0.0 -1,-0.2 -11,-0.0 -12,-0.1 0.734 85.9 83.6 -94.2 -23.7 74.2 9.1 3.4 80 80 A d < - 0 0 18 -3,-0.9 -13,-0.2 -5,-0.1 -14,-0.1 -0.246 66.9-149.3 -72.9 167.4 72.7 5.7 4.3 81 81 A K - 0 0 54 -18,-0.1 -1,-0.1 0, 0.0 -17,-0.1 0.785 9.4-169.5-108.6 -41.3 72.3 4.7 7.9 82 82 A I + 0 0 91 -19,-0.2 -18,-0.1 1,-0.1 -2,-0.0 0.959 43.3 121.9 47.1 74.4 72.6 0.9 8.1 83 83 A S S S+ 0 0 104 -20,-0.4 -1,-0.1 3,-0.0 -21,-0.1 0.509 77.5 0.4-127.6 -81.0 71.5 0.5 11.7 84 84 A G S S+ 0 0 58 -23,-0.1 2,-0.2 -21,-0.1 -20,-0.1 -0.110 113.9 80.6-108.2 38.0 68.5 -1.6 12.7 85 85 A c + 0 0 23 -23,-0.2 2,-0.3 -22,-0.1 -26,-0.1 -0.771 49.3 180.0-132.0 178.6 67.5 -2.7 9.1 86 86 A T - 0 0 87 -28,-0.3 2,-0.3 -2,-0.2 -13,-0.1 -0.952 14.9-140.1-173.9 155.0 68.6 -5.4 6.6 87 87 A F - 0 0 24 -15,-0.4 -30,-0.2 -2,-0.3 -32,-0.1 -0.889 13.2-178.9-125.6 158.3 67.8 -6.7 3.1 88 88 A S - 0 0 75 -2,-0.3 -16,-0.1 -32,-0.2 -33,-0.1 0.100 57.1 -98.8-141.4 22.9 67.7 -10.2 1.6 89 89 A A 0 0 48 1,-0.2 -34,-0.3 -33,-0.1 -35,-0.1 0.976 360.0 360.0 55.7 80.3 66.8 -9.5 -2.1 90 90 A N 0 0 85 -49,-0.2 -1,-0.2 -32,-0.0 -35,-0.1 0.387 360.0 360.0 -67.6 360.0 63.0 -10.1 -2.0