==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE RECEPTOR/NEUROPEPTIDE 31-DEC-09 2KSB . COMPND 2 MOLECULE: SUBSTANCE-P RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.GAYEN,C.MUKHOPADHYAY . 374 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 68.7 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 15 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 1 0 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 3 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 . 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 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 D 0 0 84 0, 0.0 2,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -32.8 -17.7 -21.7 -18.3 2 3 A N + 0 0 39 273,-0.3 7,-0.3 6,-0.1 2,-0.2 -0.668 360.0 168.1-110.6 155.4 -16.7 -18.2 -19.2 3 4 A V S S- 0 0 13 2,-2.8 272,-0.1 4,-0.3 5,-0.1 -0.524 74.3 -64.2-134.6-162.4 -18.2 -15.3 -21.2 4 5 A L S S+ 0 0 37 -2,-0.2 2,-0.1 2,-0.0 4,-0.1 0.949 134.5 54.3 -60.6 -38.6 -16.7 -11.9 -21.1 5 6 A P S S- 0 0 6 0, 0.0 -2,-2.8 0, 0.0 170,-0.1 -0.440 107.0-104.1 -81.3 168.5 -17.7 -12.2 -17.5 6 7 A V S S+ 0 0 18 168,-0.5 2,-0.2 -4,-0.2 169,-0.1 0.651 99.8 81.5 -64.5 -25.9 -16.6 -15.0 -15.2 7 8 A D S S- 0 0 58 167,-0.2 -4,-0.3 -5,-0.1 2,-0.2 -0.530 87.3-111.9 -84.3 157.4 -20.1 -16.6 -15.5 8 9 A S - 0 0 41 -2,-0.2 3,-0.4 -6,-0.2 6,-0.2 -0.522 13.5-136.7 -82.6 154.2 -21.1 -18.7 -18.4 9 10 A D + 0 0 72 -7,-0.3 -1,-0.1 1,-0.2 -7,-0.1 -0.265 57.5 134.7-105.9 51.9 -23.7 -17.4 -20.7 10 11 A L S S+ 0 0 159 -9,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.959 80.1 41.6 -60.2 -45.9 -25.5 -20.7 -21.0 11 12 A S S > S- 0 0 72 -3,-0.4 3,-0.6 1,-0.1 0, 0.0 -0.517 102.1-115.8 -87.0 164.7 -28.5 -18.5 -20.5 12 13 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.378 90.2 109.2 -76.8 6.9 -28.5 -15.3 -22.3 13 14 A N T 3 + 0 0 100 -5,-0.1 11,-0.1 352,-0.1 -4,-0.1 0.805 43.9 101.2 -57.9 -41.3 -28.4 -13.7 -18.9 14 15 A I < + 0 0 1 -3,-0.6 2,-0.3 -6,-0.2 -5,-0.0 -0.143 49.5 176.8 -52.2 136.2 -24.8 -12.4 -19.0 15 16 A S - 0 0 6 350,-0.2 7,-0.1 5,-0.1 -2,-0.0 -0.972 37.9 -80.8-140.5 156.3 -24.6 -8.7 -19.7 16 17 A T >> - 0 0 7 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 -0.265 28.7-132.4 -65.0 142.6 -21.7 -6.3 -19.9 17 18 A N T 34 S+ 0 0 10 1,-0.3 80,-2.3 2,-0.2 -1,-0.2 0.672 111.6 55.0 -63.1 -25.5 -20.4 -5.0 -16.6 18 19 A T T 34 S+ 0 0 33 78,-0.2 -1,-0.3 81,-0.1 78,-0.1 0.827 114.4 36.7 -74.1 -40.1 -20.6 -1.6 -18.3 19 20 A S T <4 S+ 0 0 55 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.1 0.875 117.9 9.4 -84.5 -42.9 -24.3 -1.9 -19.2 20 21 A E S < S- 0 0 113 -4,-2.7 77,-0.2 75,-0.1 -1,-0.1 -0.871 80.0 -78.4-146.0 174.5 -26.1 -3.7 -16.4 21 22 A P - 0 0 44 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 0.277 32.5-140.4 -61.8 -10.7 -26.1 -5.1 -12.9 22 23 A N >> + 0 0 5 1,-0.2 3,-1.1 -6,-0.2 4,-0.9 0.739 55.1 139.2 61.6 17.5 -24.3 -8.4 -12.7 23 24 A Q T 34 + 0 0 112 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.767 65.3 62.9 -67.1 -27.3 -27.0 -9.6 -10.2 24 25 A F T 34 S+ 0 0 44 1,-0.2 -1,-0.3 -11,-0.1 -2,-0.1 0.797 96.6 58.5 -66.8 -29.3 -26.9 -12.9 -12.0 25 26 A V T <4 S- 0 0 21 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 123.6 -6.9 -68.5 -40.2 -23.3 -13.3 -10.9 26 27 A Q S < S- 0 0 5 -4,-0.9 -1,-0.2 149,-0.1 5,-0.1 -0.963 89.9 -71.1-151.4 167.7 -24.1 -13.1 -7.2 27 28 A P > - 0 0 62 0, 0.0 4,-0.9 0, 0.0 3,-0.3 -0.275 40.7-123.9 -64.0 149.8 -26.8 -12.3 -4.8 28 29 A A H >> S+ 0 0 52 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.862 112.3 57.0 -63.0 -38.0 -27.9 -8.7 -4.7 29 30 A W H 3> S+ 0 0 135 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.857 98.9 60.1 -63.8 -33.9 -27.3 -8.6 -1.0 30 31 A Q H 3> S+ 0 0 26 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.850 101.5 55.4 -62.2 -32.7 -23.7 -9.7 -1.6 31 32 A I H < - 0 0 0 -4,-3.8 3,-0.8 -5,-0.2 283,-0.2 -0.711 68.2-159.5 -91.4 117.1 5.6 16.9 14.7 60 61 A K T 3 S+ 0 0 74 281,-1.8 -1,-0.2 -2,-0.7 282,-0.1 0.822 86.9 61.7 -60.8 -36.8 9.0 18.3 13.9 61 62 A R T 3 S+ 0 0 38 1,-0.2 2,-3.0 280,-0.2 -1,-0.3 0.853 85.4 75.4 -64.4 -34.7 10.8 15.5 15.7 62 63 A M < + 0 0 1 -3,-0.8 2,-0.6 -7,-0.2 -1,-0.2 -0.316 62.4 126.5 -80.6 69.4 9.5 12.8 13.5 63 64 A R + 0 0 89 -2,-3.0 2,-0.3 -3,-0.1 -1,-0.1 -0.812 25.6 138.4-123.2 91.4 11.8 13.7 10.6 64 65 A T > - 0 0 32 -2,-0.6 4,-1.2 1,-0.1 5,-0.1 -0.838 64.4-115.5-124.2 165.3 13.6 10.7 9.6 65 66 A V H >> S+ 0 0 36 -2,-0.3 4,-1.5 1,-0.2 3,-1.0 0.940 120.6 54.9 -63.1 -39.4 14.3 9.5 6.2 66 67 A T H 3> S+ 0 0 10 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 100.9 58.1 -59.7 -38.0 12.2 6.6 6.9 67 68 A N H 3> S+ 0 0 8 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.823 102.1 56.1 -62.3 -31.8 9.4 8.9 7.9 68 69 A Y H S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 5,-1.3 0.906 108.8 52.0 -62.2 -37.3 -5.4 7.8 -2.8 80 81 A M H <>S+ 0 0 11 -4,-1.4 5,-3.5 3,-0.2 6,-0.4 0.969 112.7 43.5 -62.2 -49.2 -7.0 4.4 -2.3 81 82 A A H <5S+ 0 0 2 -4,-2.5 5,-0.3 3,-0.2 -2,-0.2 0.884 126.3 32.0 -65.4 -43.4 -9.4 5.7 0.3 82 83 A A H <5S+ 0 0 54 -4,-3.5 4,-0.4 -5,-0.2 -3,-0.2 0.970 133.0 21.7 -76.2 -58.2 -10.2 8.9 -1.7 83 84 A F T X5S+ 0 0 117 -4,-2.4 4,-1.2 -5,-0.3 -3,-0.2 0.980 128.2 30.5 -76.6 -61.4 -9.9 7.8 -5.3 84 85 A N H > S+ 0 0 72 -4,-0.4 4,-2.0 -6,-0.4 -1,-0.2 0.931 110.9 41.8 -60.3 -46.9 -15.2 5.7 -3.7 87 88 A V H X S+ 0 0 15 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.914 112.6 53.9 -65.9 -41.9 -15.6 4.4 -7.2 88 89 A N H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.825 109.7 49.9 -62.3 -34.1 -15.6 0.8 -6.1 89 90 A F H X S+ 0 0 64 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.923 108.0 51.2 -68.2 -44.7 -18.3 1.7 -3.7 90 91 A T H X S+ 0 0 27 -4,-2.0 4,-1.8 1,-0.3 -2,-0.2 0.938 112.5 47.3 -60.9 -45.8 -20.5 3.4 -6.3 91 92 A Y H X>S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.9 0.925 106.1 57.9 -59.7 -45.0 -20.3 0.5 -8.5 92 93 A A H <5S+ 0 0 0 -4,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.927 109.7 42.2 -61.1 -45.2 -21.0 -2.0 -5.8 93 94 A V H <5S+ 0 0 62 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.821 116.8 49.1 -70.5 -26.3 -24.3 -0.5 -4.9 94 95 A H H <5S- 0 0 100 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.768 105.2-132.7 -74.5 -26.5 -25.0 -0.1 -8.6 95 96 A N T <5S+ 0 0 19 -4,-2.7 2,-0.3 -3,-0.2 -3,-0.2 0.415 74.3 34.0 82.8 4.5 -24.0 -3.7 -9.3 96 97 A E S > - 0 0 9 -3,-0.3 4,-1.8 1,-0.2 3,-0.6 -0.278 40.2 -39.1 97.5 178.7 -18.3 2.6 -18.6 101 102 A L H 3> S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.794 130.6 56.2 -56.4 -41.2 -15.0 1.6 -20.3 102 103 A F H 3> S+ 0 0 107 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.955 111.2 44.0 -58.6 -46.9 -13.2 4.9 -19.9 103 104 A Y H <> S+ 0 0 106 -3,-0.6 4,-4.0 -4,-0.3 5,-0.3 0.838 104.7 61.4 -68.7 -32.1 -13.7 4.9 -16.2 104 105 A a H X S+ 0 0 11 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.928 109.3 46.6 -56.0 -40.3 -12.8 1.2 -15.9 105 106 A K H X S+ 0 0 76 -4,-2.0 4,-2.7 -3,-0.2 -2,-0.2 0.918 113.3 45.5 -65.8 -47.1 -9.5 2.5 -17.3 106 107 A F H X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.976 116.5 47.2 -61.7 -47.1 -9.3 5.4 -14.9 107 108 A H H < S+ 0 0 28 -4,-4.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 114.2 45.2 -67.1 -36.8 -10.2 3.2 -12.0 108 109 A N H X S+ 0 0 6 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.951 110.6 54.6 -69.4 -42.7 -7.9 0.4 -12.8 109 110 A F H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 109.4 44.4 -59.0 -50.1 -4.9 2.7 -13.5 110 111 A F H X S+ 0 0 91 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.939 115.7 46.5 -65.3 -46.5 -5.0 4.6 -10.2 111 112 A P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.829 112.3 51.2 -61.5 -31.5 -5.4 1.5 -8.1 112 113 A I H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.901 108.3 51.7 -70.9 -40.4 -2.7 -0.3 -10.0 113 114 A A H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.918 107.8 54.0 -60.9 -40.6 -0.4 2.5 -9.5 114 115 A A H X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 110.1 44.9 -62.0 -44.8 -1.1 2.5 -5.8 115 116 A V H X S+ 0 0 8 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.904 114.7 47.7 -66.9 -42.4 -0.3 -1.2 -5.4 116 117 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.945 111.2 51.4 -63.8 -44.7 2.9 -1.1 -7.4 117 118 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.843 107.7 53.8 -61.5 -37.7 4.1 2.0 -5.6 118 119 A S H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.969 110.1 43.3 -64.0 -52.4 3.5 0.4 -2.2 119 120 A I H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.3 -2,-0.2 0.922 116.6 49.1 -63.0 -41.6 5.5 -2.8 -2.8 120 121 A Y H X S+ 0 0 43 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.882 110.2 50.3 -63.8 -38.6 8.3 -0.7 -4.4 121 122 A S H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 106.3 56.2 -67.1 -35.7 8.3 1.7 -1.5 122 123 A M H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.836 105.0 53.4 -62.5 -34.3 8.5 -1.2 0.9 123 124 A T H X S+ 0 0 27 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.934 106.2 50.9 -67.4 -41.6 11.6 -2.3 -1.0 124 125 A A H X S+ 0 0 23 -4,-1.8 4,-3.1 1,-0.3 5,-0.2 0.946 109.1 52.3 -60.3 -42.1 13.2 1.1 -0.6 125 126 A V H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.898 109.1 50.3 -58.5 -42.0 12.4 0.9 3.1 126 127 A A H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 111.6 46.7 -63.5 -44.1 14.2 -2.5 3.2 127 128 A F H X S+ 0 0 118 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.921 111.6 51.1 -65.5 -42.8 17.3 -1.2 1.5 128 129 A D H X S+ 0 0 23 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.886 108.7 52.1 -64.4 -35.6 17.4 1.8 3.7 129 130 A R H X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.934 109.3 50.0 -63.2 -41.5 17.1 -0.4 6.7 130 131 A Y H X S+ 0 0 69 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.933 111.6 48.4 -61.3 -44.1 20.0 -2.5 5.4 131 132 A M H X S+ 0 0 44 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.897 111.1 50.0 -63.4 -42.7 22.0 0.7 4.9 132 133 A A H < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.9 48.2 -65.0 -41.6 21.2 2.0 8.4 133 134 A I H < S+ 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.967 120.2 33.6 -66.5 -50.7 22.2 -1.3 10.0 134 135 A I H < S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.968 127.2 32.4 -74.1 -48.3 25.5 -1.8 8.3 135 136 A H < + 0 0 39 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.791 55.5 176.3-118.8 100.1 26.7 1.7 7.8 136 137 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.577 40.4 128.3 -69.6 -10.4 25.7 4.0 10.5 137 138 A L > - 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