==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 11-SEP-01 1JY4 . COMPND 2 MOLECULE: B4DIMER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.VENKATRAMAN,G.A.NAGANA GOWDA,P.BALARAM . 70 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79112.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 62.9 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 . 6 8.6 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 . 33 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.6 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 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 . 0 0 0 2 1 4 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 . 0 0 0 0 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 1 A R 0 0 278 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.0 23.3 15.5 -23.1 2 2 A G - 0 0 53 1,-0.2 2,-0.6 0, 0.0 15,-0.1 0.862 360.0 -28.7 -56.4-110.8 22.6 14.7 -26.7 3 3 A E S S+ 0 0 142 13,-0.1 2,-0.2 11,-0.0 -1,-0.2 -0.804 87.4 140.4-118.1 87.7 21.0 11.2 -27.1 4 4 A C - 0 0 66 -2,-0.6 11,-1.2 -3,-0.2 2,-0.4 -0.635 46.7-112.5-118.3 176.9 22.2 9.0 -24.4 5 5 A K E -A 14 0A 158 -2,-0.2 2,-0.5 9,-0.2 9,-0.2 -0.914 18.2-153.0-116.3 141.6 20.6 6.3 -22.2 6 6 A F E -A 13 0A 147 7,-2.4 7,-2.2 -2,-0.4 2,-0.7 -0.957 8.5-173.4-118.9 116.6 20.0 6.5 -18.5 7 7 A T E +A 12 0A 101 -2,-0.5 2,-0.6 5,-0.2 5,-0.2 -0.895 8.6 172.0-112.5 102.7 19.8 3.4 -16.4 8 8 A V E > -A 11 0A 69 3,-1.8 3,-1.7 -2,-0.7 2,-1.2 -0.909 66.9 -52.2-114.8 103.4 18.8 4.0 -12.8 9 9 A X T 3 S- 0 0 121 -2,-0.6 3,-0.0 1,-0.3 -2,-0.0 -0.596 121.1 -24.9 75.0 -96.8 18.1 0.8 -10.9 10 10 A G T 3 S+ 0 0 41 -2,-1.2 2,-0.7 16,-0.0 15,-0.6 0.166 114.1 101.3-134.4 12.7 15.8 -1.1 -13.2 11 11 A R E < -AB 8 24A 121 -3,-1.7 -3,-1.8 13,-0.1 2,-0.8 -0.905 52.3-164.6-107.8 110.5 14.2 1.8 -15.0 12 12 A T E +AB 7 23A 57 11,-1.3 11,-2.0 -2,-0.7 2,-0.4 -0.846 14.1 175.0 -98.4 109.4 15.6 2.4 -18.5 13 13 A A E -AB 6 22A 9 -7,-2.2 -7,-2.4 -2,-0.8 2,-0.3 -0.932 9.4-166.2-117.0 138.6 14.7 5.8 -19.9 14 14 A L E -AB 5 21A 72 7,-2.1 7,-2.2 -2,-0.4 2,-0.7 -0.924 20.9-125.5-124.1 148.7 15.9 7.2 -23.1 15 15 A N E - B 0 20A 43 -11,-1.2 2,-0.8 -2,-0.3 5,-0.2 -0.845 22.2-171.7 -97.0 113.8 15.8 10.8 -24.5 16 16 A T E > - B 0 19A 79 3,-2.6 3,-1.7 -2,-0.7 2,-1.3 -0.802 61.4 -65.1-108.9 89.1 14.1 11.0 -27.8 17 17 A X T 3 S- 0 0 91 -2,-0.8 -2,-0.0 1,-0.3 3,-0.0 -0.589 117.0 -20.5 75.0 -95.1 14.6 14.5 -29.1 18 18 A A T 3 S+ 0 0 91 -2,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.135 121.5 91.3-131.6 13.9 12.6 16.5 -26.6 19 19 A V E < -B 16 0A 68 -3,-1.7 -3,-2.6 2,-0.0 2,-0.7 -0.953 66.2-141.7-117.7 132.6 10.4 13.7 -25.3 20 20 A Q E -B 15 0A 113 15,-2.3 15,-1.5 -2,-0.4 2,-0.5 -0.837 16.4-166.2 -96.6 117.1 11.3 11.5 -22.4 21 21 A K E -BC 14 34A 75 -7,-2.2 -7,-2.1 -2,-0.7 2,-0.5 -0.906 0.4-165.0-106.7 125.1 10.4 7.9 -22.8 22 22 A W E -BC 13 33A 92 11,-1.3 11,-2.5 -2,-0.5 2,-0.4 -0.944 5.9-170.8-112.5 125.5 10.5 5.7 -19.7 23 23 A H E -BC 12 32A 51 -11,-2.0 -11,-1.3 -2,-0.5 2,-0.5 -0.933 5.6-162.4-118.4 140.2 10.4 1.9 -20.2 24 24 A F E +BC 11 31A 57 7,-2.6 7,-1.4 -2,-0.4 2,-0.5 -0.977 9.5 176.7-126.7 120.1 9.9 -0.7 -17.5 25 25 A V E + C 0 30A 83 -15,-0.6 5,-0.2 -2,-0.5 2,-0.1 -0.965 14.2 152.6-126.2 113.8 10.8 -4.4 -18.0 26 26 A L E > - C 0 29A 127 3,-1.9 3,-1.6 -2,-0.5 2,-0.7 -0.552 68.9 -81.2-139.9 69.6 10.4 -6.8 -15.1 27 27 A X T 3 S- 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 43,-0.0 -0.612 116.3 -1.2 75.1-111.3 9.8 -10.2 -16.5 28 28 A G T 3 S+ 0 0 25 -2,-0.7 42,-3.5 1,-0.1 2,-1.0 0.522 120.7 86.0 -88.9 -8.4 6.1 -10.4 -17.4 29 29 A Y E < +CD 26 69A 132 -3,-1.6 -3,-1.9 40,-0.2 2,-0.7 -0.793 52.7 165.5 -98.8 94.5 5.6 -6.9 -16.1 30 30 A K E -CD 25 68A 63 38,-1.9 38,-2.2 -2,-1.0 2,-0.5 -0.905 8.7-179.9-114.0 103.0 6.4 -4.6 -19.0 31 31 A a E -CD 24 67A 24 -7,-1.4 -7,-2.6 -2,-0.7 2,-0.4 -0.892 4.4-170.2-105.8 130.1 5.1 -1.1 -18.4 32 32 A E E -CD 23 66A 56 34,-1.6 34,-1.2 -2,-0.5 2,-0.4 -0.979 2.6-173.3-124.2 131.6 5.7 1.6 -21.0 33 33 A I E -CD 22 65A 9 -11,-2.5 -11,-1.3 -2,-0.4 2,-0.6 -0.962 13.2-151.8-125.3 141.6 5.1 5.3 -20.6 34 34 A L E C 21 0A 94 30,-1.0 -13,-0.2 -2,-0.4 -2,-0.0 -0.916 360.0 360.0-116.6 104.1 5.3 8.1 -23.2 35 35 A A 0 0 56 -15,-1.5 -15,-2.3 -2,-0.6 -2,-0.0 -0.650 360.0 360.0-121.5 360.0 6.2 11.4 -21.7 36 !* 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 37 1 B R 0 0 290 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 164.2 -14.3 -20.6 -21.3 38 2 B G - 0 0 63 1,-0.1 2,-0.6 14,-0.0 15,-0.3 0.054 360.0 -70.8 62.5-178.6 -16.0 -17.5 -22.8 39 3 B E + 0 0 138 13,-0.1 2,-0.5 11,-0.0 -1,-0.1 -0.933 53.5 170.1-117.7 108.2 -14.7 -14.0 -22.4 40 4 B C - 0 0 102 -2,-0.6 11,-1.1 11,-0.3 2,-0.4 -0.978 10.7-168.2-121.2 124.3 -15.0 -12.5 -18.9 41 5 B K E -E 50 0A 130 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.927 4.2-165.3-114.7 136.2 -13.3 -9.2 -18.0 42 6 B F E -E 49 0A 149 7,-2.3 7,-1.3 -2,-0.4 2,-0.5 -0.811 12.7-136.8-118.5 159.1 -13.0 -7.9 -14.5 43 7 B T E +E 48 0A 96 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.973 20.0 175.7-120.8 123.9 -12.1 -4.5 -13.1 44 8 B V E > -E 47 0A 42 3,-2.5 3,-1.8 -2,-0.5 2,-1.1 -0.922 65.2 -50.3-131.1 105.4 -9.7 -4.1 -10.2 45 9 B X T 3 S- 0 0 129 -2,-0.5 3,-0.0 1,-0.2 -2,-0.0 -0.606 119.9 -26.9 75.0-101.1 -8.8 -0.5 -9.2 46 10 B G T 3 S+ 0 0 48 -2,-1.1 15,-0.9 16,-0.0 2,-0.4 0.198 122.4 83.9-131.5 10.2 -7.7 1.1 -12.4 47 11 B R E < -EF 44 60A 90 -3,-1.8 -3,-2.5 13,-0.2 2,-0.6 -0.942 65.1-142.9-121.0 141.2 -6.6 -1.9 -14.3 48 12 B T E -EF 43 59A 55 11,-2.1 11,-2.7 -2,-0.4 2,-0.5 -0.908 13.8-165.4-106.8 119.8 -8.7 -4.4 -16.3 49 13 B A E -EF 42 58A 14 -7,-1.3 -7,-2.3 -2,-0.6 2,-0.3 -0.912 9.4-178.2-107.6 125.1 -7.7 -8.0 -16.1 50 14 B L E -EF 41 57A 44 7,-1.9 7,-2.2 -2,-0.5 2,-0.7 -0.886 26.3-124.3-121.8 152.9 -9.1 -10.4 -18.7 51 15 B N E - F 0 56A 85 -11,-1.1 2,-0.8 -2,-0.3 -11,-0.3 -0.873 21.3-169.4-100.6 114.7 -8.7 -14.2 -19.1 52 16 B T E > - F 0 55A 66 3,-1.7 3,-1.7 -2,-0.7 2,-1.4 -0.817 62.1 -62.4-107.4 92.0 -7.4 -15.1 -22.6 53 17 B X T 3 S- 0 0 98 -2,-0.8 -2,-0.0 -15,-0.3 3,-0.0 -0.586 117.9 -21.9 74.9 -93.9 -7.7 -18.9 -22.9 54 18 B A T 3 S+ 0 0 108 -2,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.115 121.6 90.5-134.8 15.5 -5.4 -20.1 -20.2 55 19 B V E < S-F 52 0A 68 -3,-1.7 -3,-1.7 2,-0.0 2,-0.5 -0.782 70.0-127.0-114.4 158.8 -3.3 -17.0 -19.9 56 20 B Q E -F 51 0A 93 15,-2.7 15,-2.1 -2,-0.3 2,-0.5 -0.932 21.3-169.4-110.9 122.7 -3.7 -13.9 -17.7 57 21 B K E -FG 50 70A 125 -7,-2.2 -7,-1.9 -2,-0.5 2,-0.6 -0.945 2.9-166.6-114.3 127.9 -3.6 -10.5 -19.3 58 22 B W E -FG 49 69A 59 11,-2.1 11,-2.2 -2,-0.5 2,-0.6 -0.957 4.9-164.2-117.2 114.5 -3.4 -7.3 -17.1 59 23 B H E -FG 48 68A 96 -11,-2.7 -11,-2.1 -2,-0.6 2,-0.5 -0.876 3.4-167.6-102.2 123.7 -4.2 -4.1 -18.9 60 24 B F E +FG 47 67A 52 7,-2.3 7,-1.5 -2,-0.6 2,-0.5 -0.951 10.9 171.1-115.8 119.2 -3.1 -0.9 -17.2 61 25 B V E + G 0 66A 60 -15,-0.9 2,-0.3 -2,-0.5 5,-0.2 -0.953 9.1 156.3-130.8 111.5 -4.4 2.5 -18.4 62 26 B L E > - G 0 65A 122 3,-2.6 3,-1.6 -2,-0.5 2,-0.7 -0.694 68.7 -71.7-136.8 81.0 -3.8 5.6 -16.4 63 27 B X T 3 S- 0 0 108 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.614 116.6 -9.7 75.0-112.9 -3.9 8.7 -18.6 64 28 B G T 3 S+ 0 0 45 -2,-0.7 -30,-1.0 -3,-0.1 2,-0.7 0.404 120.4 90.9 -98.5 -1.4 -0.8 8.7 -20.8 65 29 B Y E < +DG 33 62A 109 -3,-1.6 -3,-2.6 -32,-0.2 2,-0.6 -0.871 53.2 179.6-102.0 111.4 0.8 5.8 -18.8 66 30 B K E -DG 32 61A 93 -34,-1.2 -34,-1.6 -2,-0.7 2,-0.4 -0.952 5.8-168.7-115.6 116.5 -0.1 2.4 -20.2 67 31 B a E -DG 31 60A 24 -7,-1.5 -7,-2.3 -2,-0.6 2,-0.5 -0.883 4.2-159.7-106.6 134.1 1.4 -0.6 -18.5 68 32 B E E -DG 30 59A 91 -38,-2.2 -38,-1.9 -2,-0.4 2,-0.4 -0.961 8.7-175.3-118.3 119.0 1.2 -4.0 -20.1 69 33 B I E -DG 29 58A 8 -11,-2.2 -11,-2.1 -2,-0.5 2,-0.5 -0.938 7.7-166.6-115.9 134.8 1.6 -7.1 -17.9 70 34 B L E G 0 57A 101 -42,-3.5 -13,-0.2 -2,-0.4 -2,-0.0 -0.909 360.0 360.0-124.3 101.8 1.7 -10.7 -19.3 71 35 B A 0 0 72 -15,-2.1 -15,-2.7 -2,-0.5 -2,-0.0 -0.931 360.0 360.0-110.2 360.0 1.3 -13.4 -16.7