==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-99 1D5E . COMPND 2 MOLECULE: S PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.S.RATNAPARKHI,R.VARADARAJAN . 116 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 12 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 0 0 1 1 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 1 1 0 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 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 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 K 0 0 250 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.3 -14.6 7.9 19.8 2 2 A E - 0 0 87 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.841 360.0-142.0-103.2 129.8 -14.2 4.5 18.1 3 3 A T > - 0 0 85 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.365 25.0-114.3 -80.5 163.5 -11.4 2.1 18.9 4 4 A A H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.811 119.5 52.2 -67.7 -30.8 -9.6 -0.1 16.3 5 5 A A H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 112.0 45.5 -71.8 -39.0 -11.1 -3.2 17.9 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 112.8 50.9 -69.8 -41.0 -14.6 -1.7 17.7 7 7 A K H X S+ 0 0 96 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.878 108.2 51.4 -64.8 -40.0 -14.1 -0.6 14.1 8 8 A X H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 5,-0.3 0.924 111.0 50.7 -62.4 -42.1 -12.9 -4.0 13.1 9 9 A E H X S+ 0 0 60 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.923 110.3 45.4 -61.2 -50.1 -16.0 -5.5 14.7 10 10 A R H < S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.787 118.4 45.4 -67.2 -26.6 -18.6 -3.2 13.0 11 11 A Q H < S+ 0 0 22 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.718 129.1 17.0 -89.5 -25.4 -16.9 -3.6 9.6 12 12 A H H < S+ 0 0 20 -4,-1.8 28,-3.1 -5,-0.1 2,-0.5 0.455 98.8 93.5-129.2 -3.3 -16.3 -7.4 9.6 13 13 A L B < +a 40 0A 19 -4,-2.1 28,-0.2 -5,-0.3 2,-0.1 -0.853 26.9 156.8-104.7 124.1 -18.5 -9.1 12.2 14 14 A D 0 0 36 26,-2.6 29,-0.1 -2,-0.5 -1,-0.1 -0.551 360.0 360.0-137.8 67.9 -21.9 -10.5 11.4 15 15 A X 0 0 133 26,-0.2 28,-0.1 -2,-0.1 -1,-0.1 0.983 360.0 360.0 -76.1 360.0 -22.4 -13.1 14.1 16 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 24 B N > 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 119.9 -28.3 -7.9 -2.1 18 25 B Y H > + 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.892 360.0 51.6 -53.6 -44.1 -26.9 -8.8 1.4 19 26 B a H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 109.2 48.6 -63.7 -40.1 -23.6 -6.9 0.6 20 27 B N H > S+ 0 0 47 70,-0.2 4,-1.3 2,-0.2 5,-0.2 0.903 115.5 45.4 -67.8 -38.6 -25.3 -3.8 -0.5 21 28 B Q H X S+ 0 0 105 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.949 116.0 43.0 -68.5 -52.2 -27.5 -3.8 2.6 22 29 B M H X S+ 0 0 23 -4,-3.1 4,-2.0 1,-0.2 6,-0.2 0.799 110.2 56.5 -66.7 -31.5 -24.7 -4.6 5.2 23 30 B M H <>S+ 0 0 0 -4,-1.9 5,-3.0 -5,-0.3 6,-1.9 0.901 117.5 32.5 -70.0 -40.9 -22.2 -2.2 3.7 24 31 B K H ><5S+ 0 0 94 -4,-1.3 3,-1.6 4,-0.2 -2,-0.2 0.887 118.7 54.7 -81.8 -37.1 -24.5 0.9 4.0 25 32 B S H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.834 109.1 48.4 -62.1 -33.8 -26.2 -0.5 7.1 26 33 B R T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.241 119.3-109.7 -91.9 13.8 -22.7 -0.8 8.7 27 34 B N T < 5S+ 0 0 81 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.842 88.3 115.5 63.5 36.2 -21.7 2.7 7.7 28 35 B L S - 0 0 52 -2,-0.3 4,-1.2 -28,-0.1 5,-0.2 -0.280 39.7-117.5 -66.1 156.3 -19.6 -15.4 17.2 44 51 B L H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.909 114.0 50.1 -61.5 -44.5 -17.5 -12.6 18.4 45 52 B A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 107.3 55.0 -62.8 -38.4 -15.7 -14.7 21.0 46 53 B D H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.792 111.8 43.9 -65.7 -29.9 -14.9 -17.3 18.5 47 54 B V H >< S+ 0 0 8 -4,-1.2 3,-1.5 -3,-0.4 4,-0.2 0.858 111.3 52.5 -82.6 -38.3 -13.2 -14.7 16.2 48 55 B Q H >< S+ 0 0 62 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.850 99.1 67.3 -64.1 -31.9 -11.4 -13.1 19.1 49 56 B A G >< S+ 0 0 39 -4,-2.0 3,-1.1 1,-0.3 -1,-0.3 0.614 81.5 76.2 -64.2 -13.2 -10.1 -16.6 20.0 50 57 B V G X S+ 0 0 0 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.721 74.8 79.5 -72.0 -18.8 -8.0 -16.6 16.8 51 58 B c G < S+ 0 0 8 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.500 97.8 42.1 -67.8 -3.2 -5.5 -14.3 18.4 52 59 B S G < S+ 0 0 99 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.1 0.051 104.3 77.5-128.8 23.0 -4.0 -17.3 20.3 53 60 B Q S < S- 0 0 49 -3,-1.8 2,-0.7 1,-0.2 15,-0.1 0.310 95.0 -3.4-103.7-128.7 -4.0 -19.8 17.4 54 61 B K E -D 67 0B 114 13,-1.5 13,-3.4 1,-0.0 2,-0.4 -0.542 66.0-149.2 -74.3 109.5 -1.7 -20.1 14.4 55 62 B N E +D 66 0B 76 -2,-0.7 2,-0.3 11,-0.3 11,-0.3 -0.610 30.0 154.7 -79.3 131.7 0.9 -17.3 14.3 56 63 B V E -D 65 0B 42 9,-2.4 9,-1.1 -2,-0.4 2,-0.1 -0.915 45.2 -85.9-147.0 168.9 2.0 -16.3 10.9 57 64 B A - 0 0 62 -2,-0.3 6,-0.2 7,-0.1 5,-0.1 -0.486 39.4-125.1 -80.6 151.8 3.4 -13.2 9.2 58 65 B d > - 0 0 11 4,-3.7 3,-1.9 -2,-0.1 -1,-0.1 -0.395 33.9 -97.3 -86.9 171.2 1.1 -10.4 7.9 59 66 B K T 3 S+ 0 0 188 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 126.0 55.0 -59.1 -29.9 1.3 -9.2 4.3 60 67 B N T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.189 123.3-104.2 -90.4 16.6 3.4 -6.3 5.5 61 68 B G S < S+ 0 0 52 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.158 77.0 140.3 84.3 -21.5 5.9 -8.6 7.1 62 69 B Q - 0 0 108 -5,-0.1 -4,-3.7 1,-0.1 -1,-0.3 -0.158 47.5-145.2 -53.3 149.2 4.6 -7.8 10.6 63 70 B T S S+ 0 0 93 -6,-0.2 -1,-0.1 1,-0.2 -7,-0.1 0.239 74.3 94.0-107.1 15.7 4.4 -10.8 12.9 64 71 B N + 0 0 36 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.068 62.3 109.9 -97.0 35.9 1.3 -10.1 14.9 65 72 B d E -DE 56 102B 0 -9,-1.1 -9,-2.4 37,-0.2 2,-0.4 -0.810 46.6-164.7-111.0 152.8 -1.0 -12.1 12.6 66 73 B Y E -DE 55 101B 35 35,-1.8 35,-1.8 -2,-0.3 2,-0.4 -1.000 10.0-145.4-139.9 138.2 -2.8 -15.4 13.3 67 74 B Q E -DE 54 100B 60 -13,-3.4 -13,-1.5 -2,-0.4 33,-0.2 -0.824 28.0-113.8-103.1 137.4 -4.6 -17.9 11.1 68 75 B S - 0 0 2 31,-2.1 4,-0.1 -2,-0.4 -18,-0.1 -0.432 14.1-136.1 -70.1 141.8 -7.6 -19.8 12.3 69 76 B Y S S+ 0 0 160 -2,-0.1 2,-0.2 29,-0.1 -1,-0.1 0.901 89.2 37.8 -62.9 -40.4 -7.2 -23.5 12.8 70 77 B S S S- 0 0 80 1,-0.1 29,-0.4 27,-0.1 -2,-0.1 -0.686 92.8 -99.2-112.3 163.9 -10.5 -24.1 11.1 71 78 B T - 0 0 65 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.400 38.6-151.9 -74.9 157.4 -12.4 -22.6 8.1 72 79 B M E - C 0 97A 20 25,-2.7 25,-1.9 -2,-0.1 2,-0.6 -0.917 22.9 -98.6-132.2 157.8 -15.1 -20.0 8.9 73 80 B S E + C 0 96A 31 -2,-0.3 -32,-3.2 -32,-0.2 2,-0.3 -0.643 54.5 164.5 -77.9 119.4 -18.4 -18.9 7.3 74 81 B I E -BC 40 95A 0 21,-3.1 21,-2.6 -2,-0.6 2,-0.4 -0.938 33.1-146.7-137.6 160.2 -17.7 -15.7 5.3 75 82 B T E -BC 39 94A 6 -36,-2.1 -36,-2.2 -2,-0.3 2,-0.5 -0.988 16.5-149.7-127.7 118.8 -19.3 -13.5 2.7 76 83 B D E -BC 38 93A 30 17,-3.4 17,-2.1 -2,-0.4 2,-0.6 -0.778 7.4-158.2 -91.0 128.6 -17.0 -11.6 0.3 77 84 B a E +BC 37 92A 0 -40,-2.8 -40,-1.9 -2,-0.5 2,-0.4 -0.938 14.9 176.9-110.3 117.5 -18.3 -8.3 -1.0 78 85 B R E -BC 36 91A 150 13,-1.9 13,-3.6 -2,-0.6 2,-0.3 -0.979 30.3-119.9-124.6 133.3 -16.7 -7.1 -4.3 79 86 B E E - C 0 90A 47 -44,-2.6 11,-0.3 -2,-0.4 4,-0.1 -0.541 29.4-132.4 -72.7 126.1 -17.7 -4.0 -6.2 80 87 B T > - 0 0 56 9,-2.4 3,-0.6 -2,-0.3 9,-0.2 0.037 25.4-104.6 -65.2-176.4 -18.9 -4.7 -9.7 81 88 B G T 3 S+ 0 0 85 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.740 117.8 60.3 -83.6 -22.7 -17.5 -2.7 -12.6 82 89 B S T 3 S+ 0 0 109 7,-0.0 2,-0.5 2,-0.0 -1,-0.2 -0.094 80.3 118.1 -94.5 33.9 -20.8 -0.8 -13.0 83 90 B S < + 0 0 20 -3,-0.6 2,-0.3 6,-0.1 5,-0.2 -0.903 29.6 155.1-109.0 126.8 -20.5 0.7 -9.4 84 91 B K B > -G 87 0C 156 3,-1.0 3,-2.1 -2,-0.5 -52,-0.0 -0.984 43.7 -66.2-148.7 135.8 -20.2 4.4 -8.9 85 92 B Y T 3 S+ 0 0 114 1,-0.3 -54,-0.0 -2,-0.3 -56,-0.0 -0.310 116.3 24.3 -59.2 143.5 -21.0 6.6 -5.9 86 93 B P T 3 S+ 0 0 87 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 -0.974 127.2 50.3 -86.6 8.7 -23.7 7.2 -4.8 87 94 B N B < S-G 84 0C 130 -3,-2.1 -3,-1.0 2,-0.0 -2,-0.1 -0.583 74.6-174.6-105.7 72.5 -25.0 3.9 -6.2 88 95 B b - 0 0 24 -2,-0.8 2,-0.4 -59,-0.2 -5,-0.1 -0.260 5.9-159.8 -63.8 151.5 -22.5 1.3 -5.1 89 96 B A - 0 0 25 -9,-0.2 -9,-2.4 2,-0.0 2,-0.3 -0.976 7.6-171.8-140.1 122.8 -23.0 -2.2 -6.5 90 97 B Y E -C 79 0A 7 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.3 -0.873 19.1-139.8-118.1 148.3 -21.5 -5.4 -4.9 91 98 B K E -C 78 0A 127 -13,-3.6 -13,-1.9 -2,-0.3 2,-0.5 -0.892 26.2-137.7-102.4 131.8 -21.3 -9.0 -6.0 92 99 B T E +C 77 0A 54 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.819 23.0 177.8-100.0 126.4 -21.9 -11.4 -3.1 93 100 B T E -C 76 0A 67 -17,-2.1 -17,-3.4 -2,-0.5 2,-0.4 -0.964 10.2-161.1-128.8 117.2 -19.8 -14.6 -2.7 94 101 B Q E +C 75 0A 96 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.761 27.4 137.8 -97.9 141.0 -20.3 -17.0 0.3 95 102 B A E -C 74 0A 30 -21,-2.6 -21,-3.1 -2,-0.4 2,-0.5 -0.945 48.6-109.1-163.6 180.0 -17.6 -19.4 1.3 96 103 B N E +C 73 0A 103 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.986 47.6 149.1-127.9 117.9 -15.7 -21.1 4.2 97 104 B K E -C 72 0A 51 -25,-1.9 -25,-2.7 -2,-0.5 2,-0.3 -0.928 50.3 -95.0-144.1 167.5 -12.1 -20.1 4.7 98 105 B H - 0 0 47 19,-2.2 19,-2.4 -2,-0.3 2,-0.3 -0.683 43.4-139.9 -83.0 138.4 -9.4 -19.6 7.3 99 106 B I E - F 0 116B 0 -29,-0.4 -31,-2.1 -2,-0.3 2,-0.5 -0.721 9.0-154.9-101.6 153.4 -9.3 -16.0 8.5 100 107 B I E +EF 67 115B 17 15,-2.3 14,-2.7 -2,-0.3 15,-1.5 -0.990 18.8 175.9-128.2 120.9 -6.1 -14.1 9.3 101 108 B V E -EF 66 113B 0 -35,-1.8 -35,-1.8 -2,-0.5 2,-0.4 -0.934 28.4-128.4-128.1 150.4 -6.3 -11.2 11.7 102 109 B A E -EF 65 112B 7 10,-2.0 9,-2.7 -2,-0.3 10,-1.4 -0.807 30.4-159.3 -94.3 136.0 -3.8 -8.9 13.3 103 110 B c E + F 0 110B 0 -39,-2.4 2,-0.3 -2,-0.4 5,-0.1 -0.849 19.1 154.2-118.3 154.7 -4.0 -8.6 17.0 104 111 B E E > + F 0 109B 106 5,-1.9 5,-0.9 -2,-0.3 2,-0.2 -0.919 34.1 33.1-174.3 147.2 -2.9 -6.1 19.5 105 112 B G T 5S- 0 0 43 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.462 86.1 -41.5 101.6-173.9 -3.6 -4.7 23.0 106 113 B N T 5S+ 0 0 166 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.921 134.8 37.9-141.2 111.7 -4.8 -6.1 26.2 107 114 B P T 5S- 0 0 100 0, 0.0 2,-1.6 0, 0.0 -1,-0.2 0.459 108.5-126.4 -61.7 152.7 -7.0 -8.0 25.9 108 115 B Y T 5 + 0 0 93 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.1 -0.597 50.3 164.6 -72.8 90.1 -5.1 -9.1 22.7 109 116 B V E < -F 104 0B 28 -2,-1.6 -5,-1.9 -5,-0.9 2,-0.2 -0.680 44.4 -88.8-110.2 164.6 -8.1 -8.6 20.4 110 117 B P E +F 103 0B 8 0, 0.0 -7,-0.3 0, 0.0 -101,-0.2 -0.538 42.7 166.9 -74.1 135.9 -8.3 -8.5 16.6 111 118 B V E + 0 0 11 -9,-2.7 2,-0.3 1,-0.3 -8,-0.2 0.519 63.2 35.5-120.7 -18.0 -7.8 -5.0 15.2 112 119 B H E -F 102 0B 116 -10,-1.4 -10,-2.0 -104,-0.0 2,-0.7 -0.994 66.5-134.9-141.7 146.1 -7.3 -5.7 11.5 113 120 B F E +F 101 0B 39 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.888 27.6 172.9 -98.7 116.7 -8.6 -8.2 8.9 114 121 B D E - 0 0 47 -14,-2.7 2,-0.3 -2,-0.7 -13,-0.2 0.873 48.8 -47.8 -94.1 -41.6 -5.7 -9.5 6.9 115 122 B A E -F 100 0B 32 -15,-1.5 -15,-2.3 2,-0.0 2,-0.4 -0.980 35.6-118.8 179.2 169.9 -7.0 -12.3 4.7 116 123 B S E F 99 0B 27 -2,-0.3 -17,-0.2 -17,-0.2 -45,-0.0 -0.968 360.0 360.0-125.3 140.6 -9.0 -15.4 4.1 117 124 B V 0 0 101 -19,-2.4 -19,-2.2 -2,-0.4 -2,-0.0 -0.922 360.0 360.0-133.7 360.0 -7.5 -18.7 2.8