Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 4.A OG no hydrogen 2.615 N/A SER 4.A N MET 1.A O no hydrogen 3.127 N/A SER 4.A OG MET 1.A O no hydrogen 3.084 N/A HIS 6.A ND1 TYR 42.A O no hydrogen 3.156 N/A HIS 8.A ND1 ASP 110.A OD1 no hydrogen 2.518 N/A HIS 8.A NE2 MET 12.A O no hydrogen 2.883 N/A SER 14.A OG GLU 106.A O no hydrogen 3.320 N/A MET 15.A N ASP 110.A O no hydrogen 2.794 N/A VAL 17.A N VAL 112.A O no hydrogen 2.941 N/A VAL 18.A N LEU 140.A O no hydrogen 2.798 N/A PHE 19.A N ILE 114.A O no hydrogen 2.898 N/A VAL 20.A N VAL 142.A O no hydrogen 2.875 N/A SER 25.A N THR 22.A O no hydrogen 3.073 N/A SER 25.A OG THR 22.A O no hydrogen 2.556 N/A LYS 27.A NZ GLY 21.A O no hydrogen 2.879 N/A LYS 27.A NZ GLY 118.A O no hydrogen 3.007 N/A THR 28.A OG1 ASP 115.A OD1 no hydrogen 3.462 N/A THR 28.A OG1 ASP 115.A OD2 no hydrogen 2.650 N/A LEU 30.A N GLY 26.A O no hydrogen 2.952 N/A THR 31.A N LYS 27.A O no hydrogen 3.018 N/A THR 31.A OG1 LYS 27.A O no hydrogen 2.892 N/A GLY 32.A N THR 28.A O no hydrogen 3.135 N/A GLU 33.A N THR 29.A O no hydrogen 2.967 N/A PHE 34.A N LEU 30.A O no hydrogen 2.796 N/A GLY 35.A N THR 31.A O no hydrogen 2.838 N/A ARG 36.A N GLY 32.A O no hydrogen 2.951 N/A TYR 37.A N GLU 33.A O no hydrogen 3.067 N/A TYR 37.A OH GLU 248.A OE1 no hydrogen 3.018 N/A LEU 38.A N PHE 34.A O no hydrogen 3.025 N/A GLU 39.A N GLY 35.A O no hydrogen 2.929 N/A GLU 39.A N ARG 36.A O no hydrogen 2.898 N/A ASN 41.A N LEU 38.A O no hydrogen 3.026 N/A TYR 42.A N LEU 38.A O no hydrogen 2.678 N/A TYR 42.A OH GLU 248.A OE2 no hydrogen 3.003 N/A LYS 43.A N ASP 110.A OD2 no hydrogen 2.922 N/A LYS 43.A NZ GLU 108.A O no hydrogen 2.732 N/A ALA 45.A N TYR 111.A O no hydrogen 2.921 N/A TYR 46.A N SER 61.A OG no hydrogen 3.288 N/A TYR 46.A OH GLU 39.A OE2 no hydrogen 2.598 N/A VAL 47.A N LEU 113.A O no hydrogen 2.880 N/A ASN 48.A N ILE 62.A O no hydrogen 2.922 N/A LEU 49.A N ASP 115.A O no hydrogen 2.770 N/A THR 51.A N TYR 88.A OH no hydrogen 2.886 N/A THR 51.A OG1 SER 87.A OG no hydrogen 2.735 N/A THR 51.A OG1 TYR 88.A OH no hydrogen 3.169 N/A GLY 52.A N ASP 50.A OD1 no hydrogen 2.833 N/A TYR 58.A OH ASP 115.A OD2 no hydrogen 2.731 N/A SER 61.A N TYR 46.A O no hydrogen 2.832 N/A SER 61.A OG TYR 46.A O no hydrogen 3.422 N/A ILE 62.A N TYR 46.A O no hydrogen 3.381 N/A VAL 64.A N ASN 48.A O no hydrogen 3.201 N/A ARG 65.A N ASP 63.A OD1 no hydrogen 3.118 N/A ARG 65.A NE ASP 63.A OD1 no hydrogen 3.330 N/A ARG 65.A NE ASP 63.A OD2 no hydrogen 3.362 N/A ARG 65.A NH1 VAL 53.A O no hydrogen 2.936 N/A ARG 65.A NH1 LYS 54.A O no hydrogen 3.263 N/A ARG 65.A NH2 ASP 63.A OD2 no hydrogen 3.127 N/A GLU 66.A N ASP 63.A O no hydrogen 2.868 N/A PHE 67.A N VAL 64.A O no hydrogen 2.905 N/A VAL 68.A N VAL 64.A O no hydrogen 3.143 N/A VAL 70.A N THR 51.A O no hydrogen 3.201 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.474 N/A GLU 72.A N THR 69.A OG1 no hydrogen 2.947 N/A ILE 73.A N THR 69.A O no hydrogen 3.122 N/A MET 74.A N VAL 70.A O no hydrogen 2.878 N/A ARG 75.A N GLU 71.A O no hydrogen 3.125 N/A ARG 75.A N GLU 72.A O no hydrogen 3.111 N/A GLU 76.A N ILE 73.A O no hydrogen 2.872 N/A GLY 77.A N MET 74.A O no hydrogen 2.837 N/A ALA 83.A N GLY 79.A O no hydrogen 2.679 N/A ILE 84.A N PRO 80.A O no hydrogen 2.924 N/A VAL 85.A N ASN 81.A O no hydrogen 3.294 N/A GLU 86.A N GLY 82.A O no hydrogen 2.917 N/A SER 87.A N ALA 83.A O no hydrogen 2.786 N/A SER 87.A OG THR 51.A OG1 no hydrogen 2.735 N/A SER 87.A OG ILE 84.A O no hydrogen 2.840 N/A TYR 88.A N VAL 85.A O no hydrogen 3.039 N/A TYR 88.A OH LEU 49.A O no hydrogen 2.696 N/A TYR 88.A OH THR 51.A OG1 no hydrogen 3.169 N/A ASP 89.A N VAL 85.A O no hydrogen 3.108 N/A ARG 90.A N GLU 86.A O no hydrogen 3.063 N/A ARG 90.A NE GLU 86.A OE1 no hydrogen 2.698 N/A ARG 90.A NH1 GLU 76.A OE2 no hydrogen 3.017 N/A ARG 90.A NH2 GLU 76.A OE1 no hydrogen 2.670 N/A ARG 90.A NH2 GLU 86.A OE1 no hydrogen 3.200 N/A LEU 91.A N SER 87.A O no hydrogen 3.193 N/A MET 92.A N TYR 88.A O no hydrogen 3.084 N/A GLU 93.A N ARG 90.A O no hydrogen 3.118 N/A LYS 94.A N LEU 91.A O no hydrogen 2.798 N/A PHE 95.A N MET 92.A O no hydrogen 3.189 N/A TYR 98.A N LYS 94.A O no hydrogen 3.270 N/A LEU 99.A N PHE 95.A O no hydrogen 2.649 N/A ASN 100.A N ASN 96.A O no hydrogen 2.866 N/A LYS 101.A N GLU 97.A O no hydrogen 3.065 N/A LYS 101.A NZ GLU 97.A OE1 no hydrogen 2.949 N/A ILE 102.A N TYR 98.A O no hydrogen 2.972 N/A LEU 103.A N LEU 99.A O no hydrogen 2.982 N/A ARG 104.A N ASN 100.A O no hydrogen 2.960 N/A LEU 105.A N LYS 101.A O no hydrogen 3.000 N/A GLU 106.A N ILE 102.A O no hydrogen 3.076 N/A LYS 107.A N LEU 103.A O no hydrogen 3.354 N/A LYS 107.A N ARG 104.A O no hydrogen 2.914 N/A LYS 107.A NZ LEU 103.A O no hydrogen 3.454 N/A GLU 108.A N LEU 105.A O no hydrogen 2.907 N/A ASN 109.A ND2 LEU 105.A O no hydrogen 2.839 N/A ASP 110.A N LYS 43.A O no hydrogen 2.904 N/A TYR 111.A N LYS 43.A O no hydrogen 3.027 N/A VAL 112.A N MET 15.A O no hydrogen 2.844 N/A LEU 113.A N ALA 45.A O no hydrogen 3.059 N/A ILE 114.A N VAL 17.A O no hydrogen 2.734 N/A ASP 115.A N VAL 47.A O no hydrogen 2.854 N/A THR 116.A OG1 PHE 19.A O no hydrogen 2.596 N/A THR 122.A N GLN 119.A O no hydrogen 2.942 N/A THR 122.A OG1 GLN 119.A O no hydrogen 3.410 N/A LEU 124.A N MET 120.A O no hydrogen 2.982 N/A PHE 125.A N GLU 121.A O no hydrogen 2.832 N/A HIS 126.A N THR 122.A O no hydrogen 3.017 N/A HIS 126.A NE2 ASP 89.A OD1 no hydrogen 2.837 N/A PHE 128.A N HIS 126.A ND1 no hydrogen 3.193 N/A ARG 131.A N GLU 127.A O no hydrogen 2.803 N/A LEU 132.A N PHE 128.A O no hydrogen 2.990 N/A MET 133.A N GLY 129.A O no hydrogen 2.958 N/A GLU 134.A N VAL 130.A O no hydrogen 2.856 N/A ASN 135.A N LEU 132.A O no hydrogen 2.899 N/A LEU 136.A N MET 133.A O no hydrogen 3.305 N/A LEU 140.A N ILE 16.A O no hydrogen 2.813 N/A VAL 141.A N THR 173.A O no hydrogen 2.962 N/A VAL 142.A N VAL 18.A O no hydrogen 2.809 N/A TYR 143.A N ILE 175.A O no hydrogen 2.769 N/A ILE 144.A N VAL 20.A O no hydrogen 2.821 N/A SER 145.A N ALA 177.A O no hydrogen 3.019 N/A GLU 148.A N ASP 146.A OD1 no hydrogen 3.126 N/A ILE 149.A N ASP 146.A O no hydrogen 3.245 N/A LEU 150.A N PRO 147.A O no hydrogen 3.003 N/A LYS 151.A N ASP 155.A OD2 no hydrogen 3.116 N/A LYS 151.A NZ GLU 148.A O no hydrogen 2.326 N/A LYS 152.A N ASP 155.A OD2 no hydrogen 3.055 N/A LYS 152.A NZ ASN 154.A OD1 no hydrogen 2.205 N/A ASP 155.A N LYS 152.A O no hydrogen 3.069 N/A TYR 156.A N PRO 153.A O no hydrogen 2.967 N/A TYR 156.A OH HIS 192.A ND1 no hydrogen 2.707 N/A PHE 158.A N ASN 154.A O no hydrogen 2.662 N/A VAL 159.A N ASP 155.A O no hydrogen 2.994 N/A ARG 160.A N TYR 156.A O no hydrogen 3.306 N/A ARG 160.A NH1 VAL 231.A O no hydrogen 2.814 N/A ARG 160.A NH2 PHE 196.A O no hydrogen 3.070 N/A ARG 160.A NH2 VAL 231.A O no hydrogen 3.074 N/A PHE 161.A N CYS 157.A O no hydrogen 2.899 N/A PHE 162.A N PHE 158.A O no hydrogen 2.815 N/A ALA 163.A N VAL 159.A O no hydrogen 3.083 N/A LEU 164.A N ARG 160.A O no hydrogen 3.241 N/A LEU 165.A N PHE 161.A O no hydrogen 2.916 N/A ILE 166.A N PHE 162.A O no hydrogen 2.832 N/A ASP 167.A N ALA 163.A O no hydrogen 2.775 N/A LEU 168.A N LEU 164.A O no hydrogen 2.783 N/A ARG 169.A N LEU 165.A O no hydrogen 2.767 N/A ARG 169.A NE LEU 124.A O no hydrogen 2.690 N/A ARG 169.A NH2 LEU 124.A O no hydrogen 3.170 N/A LEU 170.A N ILE 166.A O no hydrogen 2.853 N/A GLY 171.A N ASP 167.A O no hydrogen 2.870 N/A THR 174.A OG1 ALA 172.A O no hydrogen 3.241 N/A ILE 175.A N VAL 141.A O no hydrogen 2.715 N/A ALA 177.A N TYR 143.A O no hydrogen 2.842 N/A LEU 178.A N LEU 234.A O no hydrogen 2.548 N/A ASN 179.A N SER 145.A O no hydrogen 3.001 N/A ASN 179.A ND2 LEU 236.A O no hydrogen 3.554 N/A LYS 180.A NZ GLY 24.A O no hydrogen 2.474 N/A VAL 181.A N LEU 236.A O no hydrogen 3.195 N/A LEU 183.A N LYS 180.A O no hydrogen 3.154 N/A LEU 184.A N VAL 181.A O no hydrogen 3.022 N/A SER 185.A N GLU 188.A OE1 no hydrogen 3.082 N/A SER 185.A OG GLU 188.A OE1 no hydrogen 2.949 N/A GLU 188.A N SER 185.A OG no hydrogen 3.426 N/A LYS 189.A N SER 185.A O no hydrogen 2.963 N/A LYS 189.A NZ VAL 181.A O no hydrogen 3.280 N/A GLU 190.A N GLU 186.A O no hydrogen 3.082 N/A GLU 190.A N GLU 187.A O no hydrogen 3.008 N/A ARG 191.A N GLU 187.A O no hydrogen 2.926 N/A HIS 192.A N GLU 188.A O no hydrogen 3.197 N/A HIS 192.A ND1 TYR 156.A OH no hydrogen 2.707 N/A ARG 193.A N LYS 189.A O no hydrogen 3.259 N/A LYS 194.A N GLU 190.A O no hydrogen 2.820 N/A TYR 195.A N ARG 191.A O no hydrogen 2.952 N/A PHE 196.A N HIS 192.A O no hydrogen 2.812 N/A GLU 197.A N ARG 193.A O no hydrogen 2.448 N/A ASP 198.A N LYS 194.A O no hydrogen 2.692 N/A LEU 202.A N ASP 198.A O no hydrogen 2.916 N/A THR 203.A N ILE 199.A O no hydrogen 2.982 N/A THR 203.A OG1 ILE 199.A O no hydrogen 2.681 N/A ALA 204.A N ASP 200.A O no hydrogen 3.088 N/A ARG 205.A N TYR 201.A O no hydrogen 3.126 N/A LEU 206.A N LEU 202.A O no hydrogen 3.035 N/A LYS 207.A N THR 203.A O no hydrogen 2.957 N/A LEU 208.A N ARG 205.A O no hydrogen 3.211 N/A ASP 209.A N LEU 206.A O no hydrogen 3.270 N/A SER 211.A N ASP 209.A OD2 no hydrogen 2.968 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 3.534 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.124 N/A GLY 214.A N SER 211.A OG no hydrogen 2.502 N/A LEU 215.A N SER 211.A O no hydrogen 3.151 N/A ALA 217.A N GLN 213.A O no hydrogen 3.448 N/A TYR 218.A N GLY 214.A O no hydrogen 2.924 N/A LYS 219.A N LEU 215.A O no hydrogen 2.876 N/A MET 220.A N MET 216.A O no hydrogen 2.728 N/A CYS 221.A N ALA 217.A O no hydrogen 3.327 N/A SER 222.A OG LYS 219.A O no hydrogen 3.239 N/A VAL 227.A N THR 225.A O no hydrogen 2.889 N/A ARG 232.A NH1 ASP 246.A OD2 no hydrogen 3.221 N/A LEU 234.A N PRO 176.A O no hydrogen 2.801 N/A LEU 236.A N LEU 178.A O no hydrogen 2.726 N/A SER 237.A N GLU 242.A O no hydrogen 2.811 N/A SER 237.A OG ASP 182.A OD1 no hydrogen 2.590 N/A ARG 241.A N SER 237.A O no hydrogen 2.771 N/A ARG 241.A NE GLU 33.A OE2 no hydrogen 2.906 N/A ARG 241.A NH2 GLU 33.A OE2 no hydrogen 2.632 N/A GLU 242.A N THR 240.A OG1 no hydrogen 3.198 N/A PHE 244.A N ARG 241.A O no hydrogen 3.196 N/A GLU 245.A N GLU 245.A OE2 no hydrogen 3.090 N/A LEU 247.A N GLY 243.A O no hydrogen 2.846 N/A GLU 248.A N PHE 244.A O no hydrogen 2.792 N/A THR 249.A N GLU 245.A O no hydrogen 2.857 N/A THR 249.A OG1 GLU 245.A O no hydrogen 2.845 N/A LEU 250.A N ASP 246.A O no hydrogen 2.816 N/A ALA 251.A N LEU 247.A O no hydrogen 2.852 N/A TYR 252.A N GLU 248.A O no hydrogen 3.022 N/A GLU 253.A N THR 249.A O no hydrogen 2.868 N/A HIS 254.A N LEU 250.A O no hydrogen 2.832 N/A HIS 254.A NE2 TYR 138.A O no hydrogen 3.242 N/A TYR 255.A N ALA 251.A O no hydrogen 3.070 N/A TYR 255.A OH ALA 13.A O no hydrogen 2.904 N/A CYS 256.A N TYR 252.A O no hydrogen 2.794 N/A CYS 256.A SG TYR 252.A O no hydrogen 3.174 N/A THR 257.A N GLU 253.A O no hydrogen 2.880 N/A THR 257.A OG1 GLU 253.A O no hydrogen 3.039 N/A CYS 258.A N HIS 254.A O no hydrogen 3.032 N/A CYS 258.A SG HIS 254.A O no hydrogen 3.281 N/A