==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GROWTH FACTOR/INHIBITOR 14-AUG-12 4GLN . COMPND 2 MOLECULE: D-RFX001; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.MANDAL,M.UPPALAPATI,D.AULT-RICHE,J.KENNEY,J.LOWITZ,S.SIDHU . 302 4 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 D X 0 0 101 0, 0.0 2,-0.3 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0-162.8 -2.9 5.9 2.6 2 2 D X E +A 17 0A 30 15,-2.2 15,-2.6 19,-0.1 2,-0.3 -0.932 360.0 145.6 119.5-153.3 0.5 4.8 3.9 3 3 D X E +Ab 16 51A 69 47,-2.2 49,-3.2 -2,-0.3 2,-0.4 -0.888 5.3 156.1 120.1-146.2 3.2 3.1 1.7 4 4 D X E +Ab 15 52A 0 11,-2.8 11,-2.0 -2,-0.3 2,-0.5 -0.993 5.2 161.9 118.4-128.4 7.0 3.3 1.6 5 5 D X E +Ab 14 53A 49 47,-2.8 49,-2.9 -2,-0.4 2,-0.7 -0.951 6.2 158.4 106.1-125.7 9.1 0.4 0.3 6 6 D X E +Ab 13 54A 2 7,-3.0 7,-2.5 -2,-0.5 2,-1.1 -0.895 5.6 170.5 107.7-104.7 12.6 1.4 -0.7 7 7 D X E -Ab 12 55A 61 47,-3.0 49,-2.4 -2,-0.7 5,-0.2 -0.750 19.8-175.4 96.7 -90.8 14.9 -1.6 -0.8 8 8 D G + 0 0 7 3,-1.9 29,-0.0 -2,-1.1 -2,-0.0 -0.455 43.8 118.0 93.3-165.0 18.1 -0.2 -2.3 9 9 D X S S- 0 0 160 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.824 116.1 -14.0 67.8 30.6 21.3 -2.0 -3.3 10 10 D X S S- 0 0 139 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.187 128.1 -46.1 134.4 -15.3 20.8 -0.9 -6.9 11 11 D X + 0 0 64 2,-0.0 -3,-1.9 -5,-0.0 2,-0.4 -0.990 56.5 150.2 149.8-157.3 17.1 0.2 -7.0 12 12 D X E -A 7 0A 151 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.991 30.2-172.6 124.8-120.8 13.7 -0.9 -5.8 13 13 D G E +A 6 0A 23 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.3 -0.859 15.2 177.7 125.1-158.5 11.3 1.9 -5.1 14 14 D X E +A 5 0A 126 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.982 3.1 179.7 149.9-152.4 7.9 2.4 -3.7 15 15 D X E +A 4 0A 39 -11,-2.0 -11,-2.8 -2,-0.3 2,-0.4 -0.989 14.5 145.9 148.8-153.3 5.7 5.4 -3.0 16 16 D X E +A 3 0A 87 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.984 13.5 167.3 125.6-132.4 2.2 6.1 -1.5 17 17 D X E +A 2 0A 21 -15,-2.6 -15,-2.2 -2,-0.4 8,-0.1 -0.890 24.0 150.4 118.9-149.0 1.1 9.1 0.6 18 18 D X - 0 0 171 -2,-0.3 7,-0.1 -17,-0.2 -1,-0.1 0.202 48.5-145.3 97.9 -15.1 -2.3 10.4 1.6 19 19 D X + 0 0 18 1,-0.1 -2,-0.1 -17,-0.1 6,-0.1 -0.218 54.0 127.5 49.4-142.5 -0.8 11.8 4.8 20 20 D X S S- 0 0 118 -19,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.663 77.4 -14.9 81.8 20.4 -3.3 11.5 7.6 21 21 D X S > S+ 0 0 63 1,-0.0 4,-2.4 -19,-0.0 5,-0.2 -0.903 83.6 94.7 144.7-177.3 -1.3 9.7 10.3 22 22 D X H > S- 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.818 120.5 -52.2 65.8 30.6 1.9 7.8 10.9 23 23 D X H > S- 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 111.3 -44.2 73.2 44.8 3.8 10.9 11.9 24 24 D X H > S- 0 0 69 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.883 115.0 -51.2 64.1 38.3 2.9 13.0 8.9 25 25 D X H X S- 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.925 107.5 -52.1 64.4 44.3 3.6 9.9 6.7 26 26 D X H X S- 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.911 107.3 -53.9 57.0 42.5 7.0 9.5 8.4 27 27 D X H X S- 0 0 54 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.921 112.4 -42.3 59.7 46.5 7.8 13.2 7.6 28 28 D X H X S- 0 0 71 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.934 118.7 -45.2 63.7 45.6 7.0 12.8 3.9 29 29 D X H X S- 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.821 106.3 -57.8 75.0 32.3 8.8 9.5 3.6 30 30 D X H X S- 0 0 28 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.952 110.5 -43.9 61.9 49.0 11.9 10.4 5.6 31 31 D X H X S- 0 0 100 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.927 116.3 -47.6 60.3 45.6 12.7 13.3 3.2 32 32 D X H X S- 0 0 101 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.934 114.1 -45.8 63.2 47.0 11.9 11.1 0.1 33 33 D X H >X S- 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-1.3 0.886 108.9 -55.6 63.5 40.6 14.0 8.2 1.3 34 34 D X H 3< S- 0 0 33 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 101.1 -59.1 64.8 26.3 16.9 10.5 2.3 35 35 D X H 3< S- 0 0 92 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.691 115.0 -37.2 73.8 16.6 16.9 11.8 -1.3 36 36 D X H << S- 0 0 59 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.836 122.5 -31.4 98.9 45.9 17.5 8.2 -2.4 37 37 D X < + 0 0 2 -4,-2.8 -1,-0.3 1,-0.1 3,-0.1 -0.975 50.8 162.3 123.5-128.7 19.9 6.7 0.2 38 38 D X S S- 0 0 80 -2,-0.4 192,-2.0 1,-0.2 2,-0.4 0.630 87.7 -44.3 79.2 14.0 22.5 8.5 2.2 39 39 D X E +d 230 0B 66 190,-0.2 2,-0.7 192,-0.0 192,-0.2 -0.973 67.4 160.1 136.3-123.8 22.6 5.5 4.6 40 40 D X E +d 231 0B 0 190,-2.4 192,-2.4 -2,-0.4 16,-0.2 -0.891 5.4 174.7 98.4-115.8 19.6 3.7 6.1 41 41 D X S S+ 0 0 95 14,-2.6 2,-0.3 -2,-0.7 15,-0.2 0.856 76.0 4.7 72.8 37.2 20.5 0.2 7.4 42 42 D X E +C 55 0A 46 13,-1.5 13,-2.3 2,-0.0 2,-0.3 -0.985 52.8 163.6 152.4-162.9 17.0 -0.2 8.8 43 43 D X E -C 54 0A 1 -2,-0.3 20,-0.4 11,-0.2 2,-0.3 -0.864 25.3-171.2 150.9-106.8 13.6 1.5 8.9 44 44 D X E +C 53 0A 59 9,-2.6 9,-2.6 -2,-0.3 2,-0.3 -0.762 16.0 160.6 122.0-164.5 10.6 -0.6 9.9 45 45 D X E +C 52 0A 39 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.998 5.9 153.8 146.1-143.5 6.9 -0.2 10.0 46 46 D X E >>> +C 51 0A 83 5,-1.6 4,-1.5 -2,-0.3 3,-1.3 -0.975 7.8 156.5 123.3-119.8 3.9 -2.7 10.2 47 47 D X T 345S- 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.754 95.8 -57.6 58.6 28.8 0.6 -1.7 11.7 48 48 D X T 345S- 0 0 90 1,-0.2 -1,-0.3 3,-0.1 0, 0.0 0.580 119.2 -27.1 84.9 9.9 -1.1 -4.4 9.7 49 49 D X T <45S+ 0 0 79 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.424 91.9 134.3 124.7 6.5 0.1 -3.1 6.3 50 50 D X T <5 - 0 0 95 -4,-1.5 -47,-2.2 1,-0.2 2,-0.4 0.869 62.9-135.6 -48.6 -41.8 0.5 0.6 7.0 51 51 D X E < +bC 3 46A 19 -5,-1.0 -5,-1.6 -49,-0.2 2,-0.4 -0.972 47.4 153.4 126.7-130.9 3.8 0.3 5.2 52 52 D X E +bC 4 45A 0 -49,-3.2 -47,-2.8 -2,-0.4 2,-0.5 -0.823 12.1 157.9 93.3-141.1 7.2 1.6 6.1 53 53 D X E +bC 5 44A 29 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.981 6.3 170.3 123.4-120.5 10.2 -0.3 4.7 54 54 D X E +bC 6 43A 0 -49,-2.9 -47,-3.0 -2,-0.5 2,-0.5 -0.934 7.1 163.7 108.9-130.6 13.6 1.5 4.4 55 55 D X E bC 7 42A 45 -13,-2.3 -14,-2.6 -2,-0.5 -13,-1.5 -0.959 360.0 360.0 120.5-128.3 16.6 -0.7 3.6 56 56 D X 0 0 62 -49,-2.4 -16,-0.2 -2,-0.5 -19,-0.0 -0.616 360.0 360.0 81.0 360.0 20.0 0.5 2.3 57 !* 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 58 6 E E 0 0 141 0, 0.0 160,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.3 15.8 -6.9 23.8 59 7 E V - 0 0 56 158,-0.1 2,-0.4 1,-0.1 160,-0.2 -0.594 360.0-123.3 -76.1 131.4 16.6 -3.9 21.6 60 8 E V B -e 219 0B 21 158,-2.7 160,-2.6 -2,-0.3 -1,-0.1 -0.649 31.4-119.6 -77.0 125.7 13.8 -1.5 21.2 61 9 E K >> - 0 0 139 -2,-0.4 4,-2.2 158,-0.2 3,-0.9 -0.349 16.6-118.4 -70.2 145.8 13.0 -1.1 17.5 62 10 E F H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.881 111.9 49.9 -49.7 -50.6 13.3 2.3 15.9 63 11 E M H 3> S+ 0 0 8 -20,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.782 110.3 52.1 -67.2 -23.1 9.6 2.7 14.9 64 12 E D H <> S+ 0 0 80 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.933 112.5 43.7 -73.8 -46.3 8.5 1.7 18.4 65 13 E V H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.922 114.2 52.6 -60.0 -45.0 10.8 4.4 20.1 66 14 E Y H X S+ 0 0 2 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.926 113.1 41.5 -61.2 -46.9 9.7 6.9 17.4 67 15 E Q H < S+ 0 0 54 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.888 114.6 51.2 -70.2 -37.0 6.0 6.4 18.0 68 16 E R H < S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.748 111.6 46.5 -72.6 -24.1 6.2 6.2 21.8 69 17 E S H < S+ 0 0 0 -4,-1.7 36,-2.1 -5,-0.2 -1,-0.2 0.577 84.7 115.6 -95.9 -9.3 8.2 9.4 22.2 70 18 E Y B < S-h 105 0C 40 -4,-0.7 36,-0.2 -3,-0.4 33,-0.1 -0.347 84.1 -71.4 -70.3 141.6 6.1 11.6 19.9 71 19 E a S S+ 0 0 11 34,-2.3 33,-0.2 31,-0.1 -1,-0.2 0.072 78.7 125.6 -28.0 113.7 4.3 14.6 21.3 72 20 E H E -I 103 0D 63 31,-2.4 31,-2.0 -3,-0.2 2,-0.3 -0.970 65.5 -74.2-165.7 165.8 1.3 13.5 23.5 73 21 E P E +I 102 0D 35 0, 0.0 2,-0.3 0, 0.0 29,-0.3 -0.573 53.8 176.9 -71.8 131.7 -0.2 13.9 26.9 74 22 E I E -I 101 0D 26 27,-2.9 27,-2.4 -2,-0.3 2,-0.3 -0.974 39.6 -93.8-134.0 149.3 1.7 12.0 29.5 75 23 E E E -I 100 0D 67 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.463 49.6-176.4 -64.2 125.4 1.5 11.6 33.3 76 24 E T E -I 99 0D 46 23,-2.9 23,-3.0 -2,-0.3 2,-0.7 -0.982 27.5-129.7-130.5 133.1 3.8 14.2 34.8 77 25 E L E -I 98 0D 35 -2,-0.4 2,-0.4 21,-0.2 123,-0.2 -0.786 33.8-167.5 -89.7 113.5 4.6 14.8 38.4 78 26 E V E -I 97 0D 7 19,-3.0 19,-2.5 -2,-0.7 2,-0.2 -0.884 21.2-122.8-114.6 129.2 4.2 18.5 39.0 79 27 E D E >> -I 96 0D 72 -2,-0.4 4,-1.3 17,-0.3 3,-0.6 -0.497 16.3-144.0 -69.7 129.8 5.3 20.5 42.0 80 28 E I H 3> S+ 0 0 0 15,-2.7 4,-2.1 1,-0.2 3,-0.4 0.914 98.7 56.0 -63.4 -44.2 2.4 22.4 43.6 81 29 E F H 34 S+ 0 0 103 14,-0.5 -1,-0.2 1,-0.3 6,-0.2 0.742 104.4 56.7 -63.9 -21.0 4.3 25.5 44.6 82 30 E Q H <4 S+ 0 0 121 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.897 111.0 41.4 -70.3 -43.6 5.2 25.7 40.9 83 31 E E H < S+ 0 0 54 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.748 128.0 33.7 -73.8 -26.5 1.6 25.8 39.8 84 32 E Y >< + 0 0 78 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.3 -0.623 64.0 165.4-131.7 72.3 0.7 28.1 42.7 85 33 E P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.627 74.4 66.6 -69.2 -8.9 3.6 30.5 43.4 86 34 E D T 3 S+ 0 0 151 1,-0.2 2,-1.6 -3,-0.1 3,-0.3 0.501 74.7 92.1 -85.6 -4.5 1.4 32.7 45.6 87 35 E E < + 0 0 39 -3,-1.9 3,-0.4 1,-0.2 -1,-0.2 -0.406 49.0 138.7 -86.6 62.4 1.1 29.9 48.1 88 36 E I + 0 0 112 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.866 58.8 53.9 -77.5 -41.1 4.1 31.2 50.1 89 37 E E S S+ 0 0 131 -3,-0.3 2,-0.3 40,-0.0 -1,-0.2 0.537 106.7 55.7 -81.8 -2.0 2.9 30.8 53.7 90 38 E Y - 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