==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 09-JUL-09 2KLW . COMPND 2 MOLECULE: (PKG)10; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.A.FALLAS,V.GAUBA,J.D.HARTGERINK . 90 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 31.1 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 . 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 . 0 0.0 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 . 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+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 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 . 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 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 2 A P 0 0 161 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -6.8 74.0 8.0 -0.7 2 3 A K - 0 0 134 30,-0.0 32,-0.2 32,-0.0 31,-0.1 -0.853 360.0-170.3-139.7 168.7 77.4 7.2 1.1 3 4 A G - 0 0 25 30,-0.5 32,-0.4 -2,-0.3 2,-0.1 -0.779 50.3 -40.0-148.6-176.0 79.4 5.0 3.5 4 5 A P - 0 0 78 0, 0.0 61,-2.6 0, 0.0 30,-0.6 -0.333 56.3-119.4 -67.1 129.7 82.8 4.9 5.3 5 6 A K - 0 0 120 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.281 38.6 -99.9 -57.7 144.7 86.0 5.9 3.3 6 7 A G - 0 0 6 29,-2.8 32,-0.4 60,-0.3 61,-0.1 -0.191 39.3 -96.7 -70.9 160.2 88.7 3.1 3.0 7 8 A P - 0 0 72 0, 0.0 61,-2.5 0, 0.0 30,-0.2 -0.333 40.9 -91.5 -78.0 157.8 91.9 2.8 5.2 8 9 A K - 0 0 124 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.348 44.6-113.2 -61.9 142.3 95.5 3.9 4.4 9 10 A G - 0 0 8 29,-2.6 32,-0.3 60,-0.3 61,-0.1 -0.274 37.4 -89.8 -75.0 163.4 97.9 1.4 2.6 10 11 A P - 0 0 76 0, 0.0 61,-2.5 0, 0.0 30,-0.3 -0.315 45.1 -88.5 -76.4 157.4 101.0 -0.1 4.2 11 12 A K - 0 0 121 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.298 51.1-108.0 -57.4 141.6 104.6 1.2 4.2 12 13 A G - 0 0 12 29,-2.7 32,-0.4 60,-0.3 61,-0.2 -0.090 40.0 -81.0 -70.7 170.6 106.8 0.1 1.2 13 14 A P - 0 0 73 0, 0.0 61,-2.3 0, 0.0 30,-0.3 -0.398 49.6 -93.0 -77.6 150.6 109.7 -2.4 1.2 14 15 A K - 0 0 123 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.281 46.4-109.5 -57.7 139.6 113.4 -1.7 2.2 15 16 A G - 0 0 6 29,-2.8 32,-0.3 60,-0.2 61,-0.1 -0.226 38.2 -90.9 -69.5 160.4 115.8 -0.7 -0.6 16 17 A P - 0 0 76 0, 0.0 61,-2.6 0, 0.0 30,-0.3 -0.382 46.2 -94.1 -76.2 151.5 118.6 -2.9 -1.9 17 18 A K - 0 0 124 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.220 43.4-107.0 -60.6 149.1 122.2 -2.8 -0.6 18 19 A G - 0 0 11 29,-2.5 32,-0.4 60,-0.3 61,-0.2 -0.221 37.4 -91.9 -74.7 166.0 124.9 -0.6 -2.2 19 20 A P - 0 0 74 0, 0.0 61,-2.6 0, 0.0 30,-0.3 -0.374 48.9 -84.5 -79.1 157.4 127.9 -1.8 -4.4 20 21 A K - 0 0 132 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.259 47.2-113.8 -57.8 142.0 131.5 -2.7 -3.2 21 22 A G - 0 0 3 29,-2.7 32,-0.4 60,-0.3 61,-0.1 -0.209 36.8 -89.0 -70.7 166.0 134.0 0.2 -2.8 22 23 A P - 0 0 74 0, 0.0 61,-2.7 0, 0.0 30,-0.3 -0.343 49.3 -84.1 -76.9 158.6 137.2 0.7 -4.9 23 24 A K - 0 0 124 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.244 49.0-112.2 -57.0 144.2 140.7 -0.8 -4.2 24 25 A G - 0 0 10 29,-2.6 32,-0.3 60,-0.3 61,-0.1 -0.217 36.7 -85.7 -77.3 167.8 143.0 1.2 -1.7 25 26 A P - 0 0 73 0, 0.0 61,-2.3 0, 0.0 30,-0.3 -0.315 49.7 -86.0 -76.1 157.1 146.3 3.1 -2.6 26 27 A K - 0 0 120 59,-0.2 31,-0.2 29,-0.2 32,-0.1 -0.301 59.2 -94.1 -59.5 140.9 149.9 1.6 -2.7 27 28 A G - 0 0 9 29,-2.6 32,-0.3 60,-0.2 61,-0.1 -0.047 44.1 -88.6 -65.1 160.7 151.6 1.5 0.7 28 29 A P + 0 0 81 0, 0.0 61,-2.8 0, 0.0 2,-0.3 -0.227 45.3 172.5 -71.1 156.5 154.0 4.2 2.2 29 30 A K 0 0 137 59,-0.2 31,-0.1 60,-0.2 59,-0.0 -0.956 360.0 360.0-152.0 166.6 157.9 4.4 1.7 30 31 A G 0 0 119 -2,-0.3 -1,-0.0 29,-0.2 31,-0.0 0.246 360.0 360.0 82.7 360.0 161.0 6.5 2.4 31 !* 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 32 34 B D 0 0 129 0, 0.0 -30,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.8 76.1 3.1 -0.8 33 35 B X - 0 0 104 -31,-0.1 -30,-0.5 1,-0.1 31,-0.2 -0.207 360.0-117.6 -59.9 162.8 79.9 2.3 -0.5 34 36 B G - 0 0 12 29,-1.7 -29,-0.2 -30,-0.6 -1,-0.1 -0.376 35.0 -79.2 -92.9 175.0 82.6 4.9 0.6 35 37 B D - 0 0 80 -32,-0.4 -29,-2.8 30,-0.2 30,-0.3 -0.290 54.8 -85.2 -70.8 156.6 85.6 6.4 -1.2 36 38 B X - 0 0 99 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.214 44.8-113.3 -55.9 152.0 89.0 4.7 -1.7 37 39 B G - 0 0 10 29,-2.5 -29,-0.2 -30,-0.2 2,-0.1 -0.335 35.5 -91.0 -83.4 166.8 91.8 5.0 1.0 38 40 B D - 0 0 83 -32,-0.4 -29,-2.6 30,-0.2 30,-0.3 -0.432 42.2 -93.8 -82.0 151.7 95.2 6.8 0.7 39 41 B X - 0 0 92 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.147 40.3-111.5 -53.6 153.3 98.6 5.5 -0.4 40 42 B G - 0 0 9 29,-2.1 -29,-0.2 -30,-0.3 2,-0.1 -0.364 35.6 -96.2 -80.2 164.6 101.3 4.1 2.0 41 43 B D - 0 0 91 -32,-0.3 -29,-2.7 30,-0.2 30,-0.3 -0.430 47.6 -83.9 -82.1 156.1 104.6 5.8 2.8 42 44 B X - 0 0 92 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.173 45.7-105.9 -58.0 150.3 108.0 5.0 1.1 43 45 B G - 0 0 8 29,-2.6 -29,-0.2 -30,-0.3 -1,-0.1 -0.224 41.7 -90.2 -65.9 160.8 110.3 2.1 2.3 44 46 B D - 0 0 86 -32,-0.4 -29,-2.8 30,-0.2 30,-0.4 -0.418 50.7 -93.0 -70.4 148.7 113.5 2.6 4.3 45 47 B X - 0 0 90 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.139 40.0-105.3 -54.3 155.0 116.9 3.0 2.4 46 48 B G - 0 0 8 29,-2.3 -29,-0.2 -30,-0.3 2,-0.1 -0.387 41.2 -98.9 -72.3 159.2 119.3 0.2 1.6 47 49 B D - 0 0 92 -32,-0.3 -29,-2.5 30,-0.2 30,-0.3 -0.439 44.7 -86.4 -78.5 153.5 122.5 -0.3 3.6 48 50 B X - 0 0 94 -31,-0.2 31,-0.2 29,-0.2 -1,-0.1 -0.199 48.0-106.3 -52.3 147.9 126.1 0.8 2.5 49 51 B G - 0 0 6 29,-2.4 -29,-0.2 -30,-0.3 -1,-0.1 -0.154 44.9 -80.9 -66.7 168.0 128.2 -1.5 0.3 50 52 B D - 0 0 87 -32,-0.4 -29,-2.7 30,-0.2 30,-0.3 -0.404 51.6 -93.3 -70.9 148.4 131.2 -3.5 1.5 51 53 B X - 0 0 94 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.280 46.9-107.0 -56.1 144.1 134.7 -1.9 1.9 52 54 B G - 0 0 7 29,-2.6 -29,-0.2 -30,-0.3 -1,-0.1 -0.067 42.3 -77.7 -66.4 168.9 137.2 -2.2 -1.1 53 55 B D - 0 0 84 -32,-0.4 -29,-2.6 30,-0.2 30,-0.3 -0.379 53.4 -95.0 -69.2 144.9 140.2 -4.4 -1.3 54 56 B X - 0 0 97 -31,-0.2 31,-0.2 29,-0.1 32,-0.1 -0.235 43.0-110.5 -54.1 145.7 143.6 -3.5 0.4 55 57 B G - 0 0 8 29,-2.5 -29,-0.2 -30,-0.3 2,-0.1 -0.220 38.4 -88.9 -68.7 164.8 146.3 -1.7 -1.7 56 58 B D - 0 0 90 -32,-0.3 -29,-2.6 30,-0.2 30,-0.4 -0.425 54.5 -85.4 -72.4 152.5 149.6 -3.2 -2.8 57 59 B X - 0 0 85 -31,-0.2 31,-0.2 29,-0.1 -1,-0.1 -0.138 43.6-104.5 -52.8 149.3 152.7 -3.1 -0.6 58 60 B G - 0 0 2 29,-2.8 2,-0.2 -30,-0.2 -29,-0.1 -0.270 55.9 -75.5 -61.9 160.3 155.1 -0.1 -0.5 59 61 B D - 0 0 65 -32,-0.3 -29,-0.2 1,-0.1 -1,-0.1 -0.465 62.3 -96.4 -68.6 126.8 158.5 -0.5 -2.3 60 62 B X 0 0 145 -2,-0.2 29,-0.1 1,-0.1 -1,-0.1 -0.002 360.0 360.0 -49.1 144.7 161.0 -2.7 -0.3 61 63 B G 0 0 81 28,-1.2 30,-0.3 -3,-0.1 -1,-0.1 0.056 360.0 360.0-170.1 360.0 163.6 -1.1 2.0 62 !* 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 63 66 C P 0 0 88 0, 0.0 -29,-1.7 0, 0.0 -60,-0.2 0.000 360.0 360.0 360.0 -38.6 79.7 -0.0 2.9 64 67 C X - 0 0 119 -31,-0.2 -59,-0.2 -61,-0.1 -58,-0.1 -0.363 360.0-131.8 -54.1 130.4 83.5 0.3 3.4 65 68 C G - 0 0 5 -61,-2.6 -30,-0.2 -30,-0.3 -29,-0.1 -0.370 41.3 -81.6 -68.2 162.2 85.5 1.9 0.5 66 69 C P - 0 0 66 0, 0.0 -29,-2.5 0, 0.0 -60,-0.3 -0.361 47.1 -99.2 -72.4 148.1 88.6 -0.1 -0.7 67 70 C X - 0 0 111 -31,-0.2 -59,-0.2 -61,-0.1 -28,-0.1 -0.208 40.5-108.4 -51.2 149.6 92.1 0.1 1.0 68 71 C G - 0 0 9 -61,-2.5 -30,-0.2 -30,-0.3 -29,-0.1 -0.348 42.1 -90.3 -74.7 163.4 94.8 2.4 -0.5 69 72 C P - 0 0 67 0, 0.0 -29,-2.1 0, 0.0 -60,-0.3 -0.340 44.9 -91.8 -74.6 156.0 97.8 1.0 -2.3 70 73 C X - 0 0 109 -31,-0.2 -59,-0.2 -61,-0.1 -58,-0.1 -0.229 46.0-104.4 -52.9 151.4 101.3 0.0 -0.7 71 74 C G - 0 0 8 -61,-2.5 -30,-0.2 -30,-0.3 -29,-0.1 -0.309 43.7 -91.8 -71.9 163.9 104.0 2.7 -0.6 72 75 C P - 0 0 64 0, 0.0 -29,-2.6 0, 0.0 -60,-0.3 -0.291 47.2 -83.5 -76.3 161.6 107.0 2.5 -3.0 73 76 C X - 0 0 110 -31,-0.2 -59,-0.2 -61,-0.2 -58,-0.1 -0.216 45.9-109.1 -52.4 149.1 110.5 0.8 -2.5 74 77 C G - 0 0 7 -61,-2.3 -30,-0.2 -30,-0.4 -29,-0.1 -0.340 44.8 -88.2 -70.5 163.1 113.2 2.6 -0.6 75 78 C P - 0 0 70 0, 0.0 -29,-2.3 0, 0.0 -60,-0.2 -0.337 47.8 -89.3 -72.8 155.4 116.4 3.9 -2.5 76 79 C X - 0 0 112 -31,-0.2 -59,-0.2 -61,-0.1 -58,-0.1 -0.262 48.2-104.9 -52.4 146.3 119.6 1.8 -3.2 77 80 C G - 0 0 7 -61,-2.6 -30,-0.2 -30,-0.3 -29,-0.2 -0.300 41.4 -96.7 -68.6 159.3 122.3 2.0 -0.6 78 81 C P - 0 0 64 0, 0.0 -29,-2.4 0, 0.0 -60,-0.3 -0.336 47.6 -80.4 -75.3 159.1 125.5 4.1 -1.3 79 82 C X - 0 0 112 -31,-0.2 -59,-0.2 -61,-0.2 -58,-0.1 -0.259 54.0-107.6 -49.4 139.5 128.9 2.7 -2.6 80 83 C G - 0 0 5 -61,-2.6 -30,-0.2 -30,-0.3 -29,-0.1 -0.204 45.5 -79.9 -64.7 162.5 131.1 1.1 0.1 81 84 C P - 0 0 63 0, 0.0 -29,-2.6 0, 0.0 -60,-0.3 -0.269 51.1 -92.5 -61.9 149.2 134.3 2.8 1.5 82 85 C X - 0 0 110 -31,-0.2 -59,-0.2 -61,-0.1 -58,-0.1 -0.290 52.7-100.7 -51.0 142.9 137.7 2.8 -0.4 83 86 C G - 0 0 5 -61,-2.7 -30,-0.2 -30,-0.3 -29,-0.1 -0.171 45.6 -83.5 -64.0 161.6 139.9 -0.1 0.7 84 87 C P - 0 0 65 0, 0.0 -29,-2.5 0, 0.0 -60,-0.3 -0.301 49.2 -95.9 -61.8 148.6 142.8 0.3 3.2 85 88 C X - 0 0 101 -31,-0.2 -59,-0.2 -61,-0.1 -58,-0.1 -0.257 48.8 -98.9 -51.6 149.3 146.3 1.5 2.1 86 89 C G - 0 0 6 -61,-2.3 -30,-0.2 -30,-0.4 -29,-0.1 -0.222 48.3 -83.2 -65.2 163.3 148.9 -1.3 1.4 87 90 C P - 0 0 68 0, 0.0 -29,-2.8 0, 0.0 -60,-0.2 -0.234 59.4 -83.0 -66.7 158.7 151.5 -2.3 4.1 88 91 C X - 0 0 101 -31,-0.2 -59,-0.2 -61,-0.1 4,-0.1 -0.226 18.4-139.8 -65.4 151.4 154.8 -0.2 4.4 89 92 C G S S+ 0 0 11 -61,-2.8 -28,-1.2 -29,-0.1 -60,-0.2 0.924 88.2 74.8 -67.4 -48.7 157.9 -0.7 2.2 90 93 C P S S- 0 0 55 0, 0.0 2,-0.2 0, 0.0 -32,-0.1 -0.286 95.4-104.3 -56.2 149.2 160.2 -0.1 5.3 91 94 C X 0 0 135 -30,-0.3 -2,-0.1 -2,-0.0 0, 0.0 -0.480 360.0 360.0 -75.2 149.1 160.4 -3.0 7.9 92 95 C G 0 0 128 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 -0.980 360.0 360.0 171.9 360.0 158.5 -2.7 11.2