==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 31-MAR-04 1SXW . COMPND 2 MOLECULE: NITROPHORIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODNIUS PROLIXUS; . AUTHOR E.M.MAES,A.WEICHSEL,J.F.ANDERSEN,D.SHEPLEY,W.R.MONTFORT . 184 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 65.8 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 . 73 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 1 0.5 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 0 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 . 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 2 0 2 0 2 1 0 3 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 1 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 A 0 0 84 0, 0.0 131,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.2 11.3 15.9 22.6 2 2 A a + 0 0 48 129,-0.3 129,-0.1 1,-0.1 120,-0.1 -0.656 360.0 170.0 -85.0 141.2 8.8 13.8 24.6 3 3 A T + 0 0 92 -2,-0.3 2,-0.5 1,-0.0 -1,-0.1 0.461 41.6 90.5-130.0 -10.6 8.3 10.4 23.4 4 4 A K - 0 0 105 2,-0.0 2,-1.1 3,-0.0 -1,-0.0 -0.855 49.4-158.5-109.1 130.2 6.1 8.5 26.0 5 5 A N - 0 0 123 -2,-0.5 2,-0.2 -3,-0.0 -1,-0.0 -0.833 32.9-151.1 -91.4 91.4 2.4 8.1 26.3 6 6 A A - 0 0 7 -2,-1.1 2,-0.5 1,-0.1 103,-0.1 -0.469 5.9-130.3 -68.9 137.7 2.4 7.3 30.0 7 7 A I - 0 0 123 -2,-0.2 2,-0.1 101,-0.1 3,-0.1 -0.768 19.6-129.1 -92.6 126.1 -0.4 5.1 31.2 8 8 A A - 0 0 23 -2,-0.5 102,-0.3 71,-0.1 72,-0.1 -0.399 38.0 -84.1 -69.7 153.7 -2.3 6.3 34.3 9 9 A Q > - 0 0 42 100,-2.6 3,-1.7 71,-0.1 2,-0.2 -0.301 45.8-111.3 -55.3 132.8 -2.8 4.0 37.2 10 10 A T T 3 S+ 0 0 138 1,-0.3 -1,-0.1 100,-0.2 70,-0.0 -0.481 104.8 9.6 -62.3 128.6 -5.8 1.6 36.8 11 11 A G T 3 S- 0 0 66 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.737 89.3-169.6 69.2 25.5 -8.3 2.8 39.4 12 12 A F < - 0 0 10 -3,-1.7 2,-0.9 67,-0.1 -1,-0.2 -0.180 17.7-137.9 -48.6 134.7 -6.4 6.0 40.3 13 13 A N > - 0 0 82 1,-0.2 4,-1.8 99,-0.1 5,-0.2 -0.811 22.6-177.6-102.2 93.3 -7.9 7.6 43.3 14 14 A K H > S+ 0 0 104 -2,-0.9 4,-3.0 1,-0.2 -1,-0.2 0.881 76.5 53.8 -63.7 -42.1 -7.9 11.3 42.5 15 15 A D H 4 S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.2 33,-0.1 0.870 108.9 49.8 -66.2 -33.2 -9.3 12.7 45.7 16 16 A K H >4 S+ 0 0 107 -3,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.912 115.9 41.9 -70.3 -41.0 -6.6 10.9 47.8 17 17 A Y H 3< S+ 0 0 4 -4,-1.8 2,-1.1 1,-0.3 3,-0.2 0.939 116.8 47.7 -68.7 -46.7 -3.8 12.2 45.5 18 18 A F T 3< S+ 0 0 11 -4,-3.0 30,-0.6 1,-0.2 -1,-0.3 -0.441 75.1 127.0 -92.7 59.0 -5.2 15.7 45.2 19 19 A N E < S-A 47 0A 89 -2,-1.1 28,-0.2 -3,-0.6 -1,-0.2 0.374 84.5-100.7 -99.8 3.1 -5.9 16.1 49.0 20 20 A G E S+ 0 0 23 26,-2.7 27,-0.2 1,-0.3 162,-0.1 0.342 84.6 119.5 93.3 -3.3 -4.1 19.4 49.5 21 21 A D E - 0 0 55 25,-0.4 25,-1.6 -4,-0.2 2,-0.3 -0.270 64.1 -96.4 -92.9 177.2 -0.9 17.8 50.9 22 22 A V E -A 45 0A 1 23,-0.2 2,-0.4 117,-0.1 23,-0.2 -0.718 24.1-162.5 -97.2 142.6 2.8 17.8 49.8 23 23 A W E -A 44 0A 1 21,-2.8 21,-2.7 -2,-0.3 2,-0.4 -0.989 11.4-150.8-118.3 134.2 4.7 15.2 47.7 24 24 A Y E -AB 43 138A 20 114,-2.8 114,-1.9 -2,-0.4 2,-0.6 -0.862 16.2-125.7-104.0 137.3 8.5 15.2 47.7 25 25 A V E + B 0 137A 18 17,-2.4 17,-0.4 -2,-0.4 112,-0.2 -0.715 32.6 170.4 -76.2 120.0 10.5 14.0 44.7 26 26 A T E + 0 0 8 110,-2.6 140,-2.5 -2,-0.6 141,-0.5 0.688 66.3 9.3 -99.4 -25.9 12.9 11.3 46.0 27 27 A D E -CB 165 136A 17 109,-1.3 109,-2.7 138,-0.3 -1,-0.3 -0.987 65.4-169.2-153.7 148.4 14.2 10.0 42.7 28 28 A Y E -CB 164 135A 17 136,-2.2 136,-3.1 -2,-0.3 2,-0.4 -0.973 12.2-158.6-142.8 156.3 14.0 11.1 39.1 29 29 A L E - B 0 134A 20 105,-2.4 105,-2.7 -2,-0.3 2,-0.5 -0.937 6.7-168.7-136.8 110.7 14.8 9.8 35.6 30 30 A A E - B 0 133A 17 -2,-0.4 103,-0.2 103,-0.2 102,-0.1 -0.885 14.1-150.9 -94.0 124.9 15.2 12.2 32.7 31 31 A L S S+ 0 0 65 101,-2.4 -1,-0.1 -2,-0.5 102,-0.1 0.824 96.5 52.3 -68.0 -31.7 15.2 10.3 29.4 32 32 A E S > S- 0 0 73 100,-0.5 3,-2.0 1,-0.2 4,-0.2 -0.864 88.7-158.7 -97.9 91.8 17.4 12.9 27.7 33 33 A P G > S+ 0 0 96 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.813 83.6 52.3 -52.5 -46.0 20.1 12.8 30.6 34 34 A D G 3 S+ 0 0 155 1,-0.2 -3,-0.0 -3,-0.1 4,-0.0 0.288 87.2 93.1 -72.6 13.1 21.8 16.3 30.1 35 35 A D G < S+ 0 0 45 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 0.811 93.9 19.5 -70.5 -34.6 18.3 17.8 30.3 36 36 A V S < S- 0 0 33 -3,-1.2 -1,-0.1 -4,-0.2 -6,-0.1 -0.914 93.4 -86.5-136.0 158.1 18.5 18.4 34.0 37 37 A P - 0 0 50 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.226 30.4-124.7 -62.8 159.2 21.2 18.8 36.7 38 38 A K S S+ 0 0 145 1,-0.1 2,-0.4 -4,-0.0 -4,-0.0 0.597 100.5 48.9 -80.7 -16.1 22.6 15.7 38.4 39 39 A R S S+ 0 0 136 2,-0.0 24,-0.3 130,-0.0 2,-0.3 -0.999 76.4 146.3-124.5 130.2 21.8 17.2 41.8 40 40 A Y - 0 0 34 -2,-0.4 2,-0.4 125,-0.2 21,-0.2 -0.985 36.3-146.3-155.3 163.2 18.3 18.7 42.5 41 41 A b E + D 0 60A 0 19,-2.1 19,-2.5 -2,-0.3 2,-0.3 -0.997 28.0 162.1-131.7 128.5 15.4 19.3 45.0 42 42 A A E + D 0 59A 16 -17,-0.4 -17,-2.4 -2,-0.4 2,-0.3 -0.998 4.3 160.8-147.6 148.5 11.8 19.3 43.9 43 43 A A E -AD 24 58A 5 15,-2.0 15,-2.3 -2,-0.3 2,-0.3 -0.971 12.3-163.5-154.1 162.2 8.4 19.0 45.6 44 44 A L E -AD 23 57A 12 -21,-2.7 -21,-2.8 -2,-0.3 2,-0.3 -0.967 14.7-141.9-141.7 162.3 4.7 19.8 44.9 45 45 A A E -AD 22 56A 0 11,-2.4 11,-2.3 -2,-0.3 2,-0.4 -0.953 20.3-168.9-115.1 150.8 1.4 20.2 46.5 46 46 A A E + D 0 55A 0 -25,-1.6 -26,-2.7 -2,-0.3 -25,-0.4 -0.993 25.6 118.0-142.3 128.6 -1.7 18.9 44.8 47 47 A G E -AD 19 54A 1 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.982 59.6 -89.5-173.3 170.0 -5.3 19.7 45.8 48 48 A T E - D 0 53A 86 -30,-0.6 2,-0.5 -2,-0.3 5,-0.2 -0.882 36.7-170.8 -96.8 132.3 -8.7 21.2 44.9 49 49 A A E > S- D 0 52A 17 3,-2.6 3,-2.2 -2,-0.5 -2,-0.0 -0.989 71.5 -21.1-127.2 116.9 -9.0 24.9 45.8 50 50 A S T 3 S- 0 0 118 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.883 129.7 -48.9 47.4 48.6 -12.5 26.5 45.5 51 51 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.362 115.4 114.8 83.0 -6.1 -13.5 23.8 43.1 52 52 A K E < -D 49 0A 123 -3,-2.2 -3,-2.6 21,-0.0 2,-0.5 -0.837 67.7-124.5-106.3 135.1 -10.4 24.1 40.9 53 53 A L E +D 48 0A 38 -2,-0.4 21,-2.7 21,-0.3 2,-0.3 -0.663 44.2 177.7 -79.2 122.4 -7.8 21.3 40.4 54 54 A K E -DE 47 73A 11 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.4 -0.910 26.6-169.3-131.8 151.9 -4.4 22.8 41.3 55 55 A E E -DE 46 72A 0 17,-2.0 17,-2.7 -2,-0.3 2,-0.4 -0.995 7.6-160.5-133.6 145.0 -0.8 22.0 41.7 56 56 A A E -DE 45 71A 0 -11,-2.3 -11,-2.4 -2,-0.4 2,-0.3 -0.990 16.6-159.6-118.7 132.6 2.0 24.1 43.3 57 57 A L E -DE 44 70A 24 13,-2.5 13,-1.9 -2,-0.4 2,-0.4 -0.837 11.6-166.7-115.5 151.8 5.6 23.3 42.4 58 58 A Y E -DE 43 69A 19 -15,-2.3 -15,-2.0 -2,-0.3 2,-0.4 -0.996 6.6-177.5-134.5 130.9 9.0 24.0 43.9 59 59 A H E +DE 42 68A 55 9,-2.4 9,-2.1 -2,-0.4 2,-0.3 -0.986 3.9 174.8-124.8 140.2 12.3 23.6 42.2 60 60 A Y E -DE 41 67A 54 -19,-2.5 -19,-2.1 -2,-0.4 7,-0.2 -0.961 22.6-152.0-147.4 125.2 15.7 24.2 43.8 61 61 A D > - 0 0 21 5,-2.5 4,-2.5 -2,-0.3 5,-0.2 -0.872 13.8-156.4 -93.5 112.1 19.2 23.5 42.4 62 62 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.626 88.1 44.9 -71.3 -15.0 21.3 22.9 45.5 63 63 A K T 4 S+ 0 0 161 -24,-0.3 -23,-0.1 3,-0.1 -2,-0.0 0.856 124.8 28.0 -88.8 -49.2 24.5 23.9 43.8 64 64 A T T 4 S- 0 0 91 2,-0.1 3,-0.1 1,-0.0 -1,-0.0 0.689 96.0-131.8 -84.1 -20.9 23.5 27.0 42.0 65 65 A Q < + 0 0 139 -4,-2.5 2,-0.1 1,-0.3 -1,-0.0 0.467 46.7 161.4 74.0 9.0 20.7 28.0 44.5 66 66 A D - 0 0 87 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.4 -0.420 16.0-178.4 -59.0 130.2 18.4 28.6 41.5 67 67 A T E +E 60 0A 63 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.998 11.2 163.1-137.1 134.1 14.9 28.6 43.1 68 68 A F E -E 59 0A 38 -9,-2.1 -9,-2.4 -2,-0.4 2,-0.3 -0.990 18.5-155.7-154.6 149.8 11.4 28.9 41.6 69 69 A Y E -EF 58 89A 22 20,-1.0 20,-2.1 -2,-0.3 2,-0.3 -0.867 12.7-170.3-113.1 152.8 7.8 28.2 42.4 70 70 A D E -EF 57 88A 9 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.4 -0.983 10.2-156.7-139.7 153.2 4.9 27.7 40.1 71 71 A V E +EF 56 87A 2 16,-2.2 16,-2.1 -2,-0.3 2,-0.3 -0.997 18.5 178.7-126.1 135.0 1.1 27.4 40.3 72 72 A S E -EF 55 86A 1 -17,-2.7 -17,-2.0 -2,-0.4 2,-0.5 -0.985 28.9-140.8-133.9 151.9 -1.2 25.6 37.8 73 73 A E E -EF 54 85A 102 12,-0.5 12,-1.3 -2,-0.3 2,-0.4 -0.894 32.7-140.9 -94.4 128.6 -4.7 24.8 37.1 74 74 A L E - F 0 84A 6 -21,-2.7 2,-0.4 -2,-0.5 -21,-0.3 -0.819 8.7-154.2 -95.8 135.6 -4.9 21.3 35.8 75 75 A Q E - F 0 83A 117 8,-2.8 8,-2.1 -2,-0.4 2,-0.5 -0.852 23.4-117.5-103.6 147.8 -7.3 20.3 33.0 76 76 A V E + F 0 82A 92 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.720 35.3 167.0 -93.9 124.5 -8.4 16.7 32.7 77 77 A E E S- 0 0 116 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.776 76.9 -34.8 -93.5 -38.6 -7.5 14.6 29.6 78 78 A S E > S- F 0 81A 60 3,-1.6 3,-2.5 0, 0.0 -1,-0.5 -0.929 95.2 -45.4-170.6 174.4 -8.5 11.3 31.3 79 79 A L T 3 S+ 0 0 89 1,-0.3 -71,-0.1 -2,-0.3 -67,-0.1 -0.360 129.7 1.1 -61.2 123.7 -8.3 9.8 34.7 80 80 A G T 3 S+ 0 0 0 -2,-0.2 29,-2.7 1,-0.1 2,-0.4 0.560 112.3 101.4 78.9 8.8 -4.9 10.5 36.1 81 81 A K E < +FG 78 108A 45 -3,-2.5 -4,-2.8 27,-0.2 -3,-1.6 -0.980 47.2 168.5-134.5 121.9 -3.7 12.4 33.0 82 82 A Y E -FG 76 107A 6 25,-2.7 25,-2.2 -2,-0.4 2,-0.4 -0.841 32.1-142.5-133.5 157.6 -3.7 16.2 33.0 83 83 A T E -FG 75 106A 32 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.4 -0.998 26.2-163.7-121.5 130.4 -2.5 19.3 31.1 84 84 A A E -FG 74 105A 0 21,-3.1 21,-2.2 -2,-0.4 2,-0.7 -0.944 14.7-155.3-124.3 128.0 -1.3 22.1 33.3 85 85 A N E -F 73 0A 62 -12,-1.3 -12,-0.5 -2,-0.4 19,-0.2 -0.863 28.9-152.0-107.8 104.7 -0.7 25.8 32.3 86 86 A F E -F 72 0A 16 -2,-0.7 2,-0.4 17,-0.3 14,-0.4 -0.378 18.5-164.5 -91.3 148.0 1.8 27.2 34.7 87 87 A K E -F 71 0A 46 -16,-2.1 -16,-2.2 12,-0.1 2,-0.4 -0.991 24.5-128.0-121.5 134.9 2.6 30.6 36.1 88 88 A K E +FH 70 97A 57 9,-1.6 8,-2.9 -2,-0.4 9,-1.9 -0.676 39.1 170.2 -80.7 131.5 5.9 31.4 37.8 89 89 A V E -FH 69 95A 2 -20,-2.1 -20,-1.0 -2,-0.4 6,-0.2 -0.899 35.8-108.8-134.9 159.1 5.3 33.0 41.2 90 90 A D > - 0 0 57 4,-2.1 3,-2.1 -2,-0.3 6,-0.1 -0.298 54.9 -87.2 -75.0 176.9 7.2 33.9 44.3 91 91 A K T 3 S+ 0 0 86 1,-0.3 90,-0.1 2,-0.1 89,-0.1 0.708 130.2 54.4 -63.0 -20.6 6.6 31.8 47.5 92 92 A N T 3 S- 0 0 87 2,-0.1 -1,-0.3 89,-0.0 0, 0.0 0.360 121.9-102.9 -94.0 3.8 3.7 34.1 48.4 93 93 A G < + 0 0 11 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.505 68.4 149.0 90.3 3.8 1.9 33.7 45.0 94 94 A N - 0 0 95 1,-0.1 -4,-2.1 2,-0.0 2,-0.3 -0.582 53.3-111.1 -71.9 131.3 2.8 37.0 43.4 95 95 A V E +H 89 0A 81 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.2 -0.465 43.3 164.9 -74.1 127.1 3.1 36.5 39.7 96 96 A K E S+ 0 0 144 -8,-2.9 2,-0.4 1,-0.3 -7,-0.2 0.714 80.4 17.7-100.4 -40.2 6.5 36.7 38.1 97 97 A V E S-H 88 0A 72 -9,-1.9 -9,-1.6 3,-0.0 -1,-0.3 -0.948 85.6-135.8-136.9 116.3 5.7 35.2 34.7 98 98 A A - 0 0 59 -2,-0.4 -10,-0.1 -11,-0.2 -12,-0.1 -0.166 33.7 -83.1 -67.0 159.3 2.0 35.0 33.7 99 99 A V + 0 0 58 -12,-0.1 2,-0.3 -14,-0.1 -1,-0.1 -0.365 57.3 175.3 -52.5 138.6 0.3 32.0 32.1 100 100 A T > - 0 0 81 -14,-0.4 3,-2.3 3,-0.4 -14,-0.1 -0.988 37.3 -91.7-151.5 149.8 0.8 31.9 28.4 101 101 A A T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.3 -16,-0.0 -0.291 113.5 29.8 -50.7 133.5 0.1 29.7 25.5 102 102 A G T 3 S+ 0 0 39 1,-0.1 2,-0.8 23,-0.1 24,-0.7 0.194 94.4 99.4 96.3 -18.0 2.9 27.3 24.9 103 103 A N E < + I 0 125A 32 -3,-2.3 -3,-0.4 22,-0.2 -17,-0.3 -0.855 55.7 115.7-100.3 98.0 3.9 27.1 28.6 104 104 A Y E - 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