==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-00 1FEV . 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) . 6697.0 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 . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.0 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 0 252 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.0 -14.3 8.0 19.5 2 2 A E - 0 0 71 4,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.819 360.0-137.7 -97.0 125.6 -14.3 4.5 18.1 3 3 A T > - 0 0 87 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 -0.401 25.1-110.0 -76.3 159.8 -11.4 2.3 19.1 4 4 A X H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.726 118.9 54.2 -63.0 -22.7 -9.8 0.0 16.5 5 5 A A H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.845 109.4 49.4 -77.6 -36.6 -11.1 -3.1 18.1 6 6 A A H > S+ 0 0 30 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 110.1 51.1 -67.0 -42.0 -14.6 -1.6 17.8 7 7 A K H X S+ 0 0 81 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.904 106.8 52.4 -63.2 -43.4 -14.1 -0.7 14.2 8 8 A F H X S+ 0 0 9 -4,-1.6 4,-2.9 1,-0.2 5,-0.4 0.955 111.7 48.6 -56.2 -49.1 -12.9 -4.2 13.2 9 9 A E H X S+ 0 0 60 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.911 113.2 44.4 -57.3 -50.0 -16.1 -5.5 14.8 10 10 A R H < S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 120.2 42.4 -66.3 -34.2 -18.5 -3.1 13.1 11 11 A Q H < S+ 0 0 24 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.816 130.2 18.1 -83.6 -32.1 -16.8 -3.6 9.8 12 12 A H H < S+ 0 0 19 -4,-2.9 28,-3.1 -5,-0.2 2,-0.5 0.482 99.1 90.7-121.1 -4.5 -16.2 -7.3 9.7 13 13 A L B < +a 40 0A 17 -4,-2.0 2,-0.2 -5,-0.4 28,-0.2 -0.853 28.9 158.5-106.7 125.6 -18.4 -9.1 12.2 14 14 A D 0 0 40 26,-2.6 29,-0.1 -2,-0.5 -4,-0.0 -0.606 360.0 360.0-137.2 74.1 -21.9 -10.4 11.5 15 15 A S 0 0 114 26,-0.2 -1,-0.1 -2,-0.2 28,-0.1 0.812 360.0 360.0 -76.3 360.0 -22.7 -13.0 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 90 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 165.1 -28.4 -8.2 -1.9 18 25 B Y H > + 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.841 360.0 50.6 -46.9 -46.8 -26.7 -8.8 1.4 19 26 B a H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 108.1 50.3 -64.5 -43.9 -23.6 -6.8 0.6 20 27 B N H > S+ 0 0 55 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.904 118.4 41.1 -62.4 -38.5 -25.3 -3.7 -0.6 21 28 B Q H X S+ 0 0 125 -4,-1.9 4,-3.2 2,-0.2 3,-0.3 0.949 116.1 44.6 -74.3 -53.0 -27.4 -3.7 2.6 22 29 B M H X S+ 0 0 35 -4,-3.1 4,-2.0 1,-0.2 6,-0.2 0.815 110.9 55.7 -63.5 -32.0 -24.8 -4.6 5.2 23 30 B M H <>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.3 6,-2.1 0.837 116.5 35.7 -70.8 -34.2 -22.2 -2.2 3.7 24 31 B K H ><5S+ 0 0 112 -4,-0.9 3,-1.8 -3,-0.3 -2,-0.2 0.883 115.9 55.2 -83.5 -41.7 -24.6 0.7 4.1 25 32 B S H 3<5S+ 0 0 77 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.837 109.2 47.5 -58.6 -36.6 -26.1 -0.6 7.3 26 33 B R T 3<5S- 0 0 62 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.196 119.0-108.9 -93.0 16.8 -22.6 -0.8 8.9 27 34 B N T < 5S+ 0 0 72 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.863 86.6 118.7 62.0 38.2 -21.6 2.7 7.8 28 35 B L S - 0 0 50 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.370 39.4-118.3 -70.7 150.3 -19.6 -15.4 17.3 44 51 B L H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.882 113.7 48.5 -54.9 -43.6 -17.4 -12.5 18.6 45 52 B A H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.837 107.9 54.7 -67.7 -34.1 -15.6 -14.6 21.1 46 53 B D H 4 S+ 0 0 86 -3,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.825 111.3 45.2 -68.4 -32.9 -14.8 -17.3 18.6 47 54 B V H >< S+ 0 0 2 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.829 112.0 51.2 -79.7 -33.6 -13.2 -14.7 16.3 48 55 B Q H >< S+ 0 0 61 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.834 98.4 67.3 -71.3 -32.0 -11.3 -13.1 19.1 49 56 B A G >< S+ 0 0 41 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.720 82.6 77.4 -60.0 -19.9 -10.0 -16.6 20.1 50 57 B V G X S+ 0 0 0 -3,-0.8 3,-1.9 1,-0.3 -1,-0.3 0.744 75.4 76.3 -64.1 -21.6 -8.1 -16.5 16.9 51 58 B c G < S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.550 99.1 42.7 -68.6 -5.9 -5.5 -14.2 18.4 52 59 B S G < S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.080 103.6 81.0-123.7 21.0 -4.0 -17.1 20.3 53 60 B Q S < S- 0 0 44 -3,-1.9 2,-0.7 1,-0.2 15,-0.1 0.297 95.1 -8.6 -98.8-132.0 -4.1 -19.6 17.5 54 61 B K E -D 67 0B 116 13,-1.4 13,-2.9 1,-0.0 2,-0.2 -0.538 65.4-146.4 -74.4 108.5 -1.6 -20.1 14.6 55 62 B N E +D 66 0B 72 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.516 31.8 154.0 -73.9 135.9 0.9 -17.2 14.5 56 63 B V E -D 65 0B 39 9,-2.7 9,-1.2 -2,-0.2 2,-0.3 -0.880 44.7 -89.0-148.2 174.5 2.0 -16.3 11.0 57 64 B A - 0 0 56 -2,-0.3 6,-0.3 7,-0.1 5,-0.2 -0.671 38.0-122.8 -93.8 150.0 3.4 -13.1 9.4 58 65 B d > - 0 0 8 4,-4.1 3,-2.3 -2,-0.3 -1,-0.1 -0.358 32.0 -99.8 -82.9 168.4 1.1 -10.4 7.9 59 66 B K T 3 S+ 0 0 183 1,-0.3 -1,-0.1 55,-0.1 -2,-0.0 0.870 126.1 55.7 -54.2 -39.7 1.4 -9.2 4.2 60 67 B N T 3 S- 0 0 110 1,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.372 122.1-109.8 -76.3 4.7 3.3 -6.2 5.5 61 68 B G S < S+ 0 0 45 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 -0.161 76.9 131.3 95.5 -41.5 5.8 -8.6 7.1 62 69 B Q - 0 0 129 -2,-0.2 -4,-4.1 -5,-0.2 -1,-0.3 -0.100 52.4-142.5 -45.6 142.1 4.8 -7.8 10.7 63 70 B T S S+ 0 0 86 -6,-0.3 -1,-0.1 1,-0.2 -6,-0.1 -0.158 72.1 102.1-108.5 42.6 4.3 -11.0 12.6 64 71 B N + 0 0 37 -9,-0.1 39,-2.2 2,-0.0 2,-0.3 -0.052 60.4 111.7-107.1 29.0 1.4 -10.2 14.9 65 72 B d E -DE 56 102B 0 -9,-1.2 -9,-2.7 37,-0.2 2,-0.4 -0.728 48.2-163.6-104.3 153.7 -1.0 -12.1 12.6 66 73 B Y E -DE 55 101B 35 35,-1.9 35,-1.9 -2,-0.3 2,-0.4 -1.000 9.7-145.5-140.8 137.5 -2.8 -15.4 13.3 67 74 B Q E -DE 54 100B 59 -13,-2.9 -13,-1.4 -2,-0.4 33,-0.2 -0.833 28.9-112.9-102.8 136.8 -4.5 -17.9 11.1 68 75 B S - 0 0 2 31,-2.1 4,-0.1 -2,-0.4 -18,-0.0 -0.436 13.9-136.7 -70.2 139.1 -7.6 -19.7 12.3 69 76 B Y S S+ 0 0 159 -2,-0.1 2,-0.2 29,-0.1 -1,-0.1 0.934 89.9 34.8 -59.2 -45.8 -7.2 -23.5 12.8 70 77 B S S S- 0 0 73 1,-0.1 29,-0.4 27,-0.1 2,-0.1 -0.623 93.3 -99.2-109.0 167.4 -10.5 -24.1 11.1 71 78 B T - 0 0 71 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.471 36.7-151.7 -80.5 154.2 -12.4 -22.4 8.2 72 79 B M E - C 0 97A 14 25,-2.9 25,-2.1 -2,-0.1 2,-0.4 -0.921 23.6 -99.0-129.1 154.7 -15.1 -19.9 9.0 73 80 B S E + C 0 96A 33 -2,-0.3 -32,-2.7 -32,-0.3 2,-0.3 -0.574 54.1 166.5 -72.2 126.7 -18.3 -18.8 7.2 74 81 B I E -BC 40 95A 2 21,-3.5 21,-2.8 -2,-0.4 2,-0.5 -0.983 32.6-144.5-144.8 155.6 -17.7 -15.6 5.4 75 82 B T E -BC 39 94A 5 -36,-2.1 -36,-2.0 -2,-0.3 2,-0.5 -0.981 15.4-149.8-122.9 123.2 -19.2 -13.3 2.7 76 83 B D E -BC 38 93A 33 17,-3.6 17,-2.2 -2,-0.5 2,-0.6 -0.806 9.0-156.2 -92.6 125.6 -16.9 -11.5 0.3 77 84 B a E +BC 37 92A 0 -40,-2.8 -40,-1.6 -2,-0.5 2,-0.4 -0.912 16.1 178.5-106.2 119.4 -18.3 -8.2 -0.9 78 85 B R E -BC 36 91A 148 13,-2.1 13,-3.1 -2,-0.6 -42,-0.2 -0.974 26.9-125.5-127.9 127.5 -16.9 -7.0 -4.2 79 86 B E E - C 0 90A 48 -44,-2.5 11,-0.3 -2,-0.4 9,-0.0 -0.421 28.7-128.6 -66.5 134.2 -17.8 -3.8 -6.3 80 87 B T - 0 0 55 9,-2.2 3,-0.5 -2,-0.1 9,-0.2 -0.199 26.3-104.2 -74.4 174.8 -18.8 -4.5 -9.8 81 88 B G S S+ 0 0 90 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.676 120.9 50.8 -74.9 -15.5 -17.2 -2.6 -12.7 82 89 B S S S+ 0 0 107 7,-0.0 -1,-0.2 2,-0.0 -3,-0.0 0.565 81.3 119.9 -96.9 -11.9 -20.2 -0.4 -13.1 83 90 B S + 0 0 20 -3,-0.5 2,-0.3 6,-0.2 5,-0.2 -0.248 33.9 163.0 -57.2 139.7 -20.5 0.6 -9.5 84 91 B K B > -G 87 0C 152 3,-0.9 3,-2.1 -52,-0.0 -2,-0.0 -0.933 37.1 -62.9-161.8 134.0 -20.1 4.4 -8.8 85 92 B Y T 3 S+ 0 0 121 1,-0.4 -52,-0.0 -2,-0.3 -54,-0.0 -0.270 117.0 20.3 -57.6 143.4 -21.0 6.7 -5.9 86 93 B P T 3 S+ 0 0 89 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 -0.960 128.9 51.8 -88.2 10.6 -23.6 7.3 -4.7 87 94 B N B < S-G 84 0C 128 -3,-2.1 -3,-0.9 -54,-0.0 -2,-0.2 -0.474 74.2-175.9-103.7 61.8 -24.9 4.1 -6.3 88 95 B b - 0 0 24 -2,-0.6 2,-0.4 -5,-0.2 -59,-0.0 -0.204 6.4-160.5 -55.5 147.1 -22.3 1.5 -5.1 89 96 B A - 0 0 29 -9,-0.2 -9,-2.2 2,-0.0 2,-0.3 -0.994 7.5-171.1-136.9 127.1 -22.9 -2.0 -6.5 90 97 B Y E -C 79 0A 9 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.3 -0.830 19.5-139.1-120.0 156.6 -21.5 -5.2 -5.0 91 98 B K E -C 78 0A 129 -13,-3.1 -13,-2.1 -2,-0.3 2,-0.6 -0.942 25.7-137.4-110.3 133.7 -21.2 -8.9 -6.0 92 99 B T E +C 77 0A 53 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.838 23.8 176.1-100.9 121.1 -21.9 -11.3 -3.2 93 100 B T E -C 76 0A 65 -17,-2.2 -17,-3.6 -2,-0.6 2,-0.3 -0.960 11.6-160.9-124.1 113.7 -19.6 -14.4 -2.8 94 101 B Q E +C 75 0A 95 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.702 24.1 146.8 -94.4 147.1 -20.2 -16.7 0.2 95 102 B A E -C 74 0A 31 -21,-2.8 -21,-3.5 -2,-0.3 2,-0.5 -0.982 45.4-118.1-166.0 170.7 -17.5 -19.1 1.4 96 103 B N E +C 73 0A 104 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.981 49.1 147.5-121.8 115.1 -15.8 -21.0 4.2 97 104 B K E -C 72 0A 54 -25,-2.1 -25,-2.9 -2,-0.5 2,-0.3 -0.930 52.0 -91.6-145.1 168.2 -12.1 -20.1 4.6 98 105 B H - 0 0 47 19,-1.8 19,-2.6 -2,-0.3 2,-0.3 -0.645 43.8-143.0 -79.2 137.4 -9.4 -19.6 7.2 99 106 B I E - F 0 116B 0 -29,-0.4 -31,-2.1 -2,-0.3 2,-0.5 -0.810 8.0-155.7-105.8 147.1 -9.2 -16.1 8.4 100 107 B I E +EF 67 115B 14 15,-2.9 14,-3.2 -2,-0.3 15,-1.2 -0.989 19.6 176.3-122.0 121.9 -5.9 -14.2 9.2 101 108 B V E -EF 66 113B 0 -35,-1.9 -35,-1.9 -2,-0.5 2,-0.4 -0.920 27.4-130.1-126.7 152.0 -6.2 -11.3 11.6 102 109 B A E -EF 65 112B 8 10,-2.1 9,-2.7 -2,-0.3 10,-1.2 -0.844 30.4-160.4 -99.5 135.7 -3.7 -8.9 13.2 103 110 B c E + F 0 110B 1 -39,-2.2 2,-0.3 -2,-0.4 5,-0.1 -0.843 20.4 144.9-119.5 156.7 -4.0 -8.5 17.0 104 111 B E E > + F 0 109B 99 5,-1.9 5,-1.5 -2,-0.3 2,-0.1 -0.975 32.2 53.2-174.0 168.2 -3.0 -6.0 19.6 105 112 B G T 5S- 0 0 56 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.292 86.3 -51.4 88.7-177.5 -3.9 -4.4 22.8 106 113 B N T 5S+ 0 0 165 2,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.925 133.3 41.8-143.5 113.3 -4.9 -5.9 26.1 107 114 B P T 5S- 0 0 97 0, 0.0 2,-1.2 0, 0.0 -3,-0.2 0.503 109.6-123.4 -57.3 156.6 -7.0 -7.9 25.8 108 115 B Y T 5 + 0 0 100 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.691 52.0 159.1 -79.0 97.8 -5.2 -9.1 22.7 109 116 B V E < -F 104 0B 20 -5,-1.5 -5,-1.9 -2,-1.2 2,-0.1 -0.809 45.6 -84.1-122.6 163.4 -8.1 -8.7 20.2 110 117 B P E +F 103 0B 5 0, 0.0 -7,-0.2 0, 0.0 -101,-0.2 -0.402 40.4 166.6 -68.4 140.4 -8.3 -8.4 16.4 111 118 B V E + 0 0 13 -9,-2.7 2,-0.3 1,-0.3 -8,-0.2 0.499 64.5 30.7-124.9 -19.1 -7.8 -4.9 14.9 112 119 B H E -F 102 0B 109 -10,-1.2 -10,-2.1 -105,-0.0 2,-0.5 -0.999 65.4-132.4-146.6 147.5 -7.3 -5.8 11.2 113 120 B F E +F 101 0B 41 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.860 24.6 176.9 -96.1 126.4 -8.4 -8.4 8.6 114 121 B D E - 0 0 33 -14,-3.2 2,-0.3 -2,-0.5 -13,-0.2 0.716 52.6 -61.6-104.2 -25.0 -5.4 -9.6 6.7 115 122 B A E -F 100 0B 41 -15,-1.2 -15,-2.9 -57,-0.0 -1,-0.4 -0.931 39.8-111.8 162.9 178.9 -6.9 -12.2 4.4 116 123 B S E F 99 0B 24 -2,-0.3 -17,-0.3 -17,-0.3 -45,-0.0 -0.988 360.0 360.0-143.7 130.2 -8.7 -15.6 4.2 117 124 B V 0 0 104 -19,-2.6 -19,-1.8 -2,-0.3 -18,-0.1 -0.784 360.0 360.0-101.7 360.0 -7.4 -18.9 3.0