Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w2a_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 187.A O no hydrogen 3.095 N/A THR 4.A OG1 ASP 2.A OD1 no hydrogen 3.458 N/A PHE 8.A N TYR 33.A O no hydrogen 3.136 N/A SER 9.A OG ASP 36.A OD2 no hydrogen 2.766 N/A LEU 10.A N THR 35.A O no hydrogen 3.124 N/A LEU 13.A N SER 9.A O no hydrogen 3.020 N/A GLN 14.A N LEU 10.A O no hydrogen 2.961 N/A GLN 15.A N ALA 11.A O no hydrogen 2.863 N/A GLY 16.A N LEU 13.A O no hydrogen 2.991 N/A LEU 17.A N GLU 12.A O no hydrogen 2.926 N/A PHE 22.A N HIS 18.A O no hydrogen 3.183 N/A ARG 23.A N GLN 19.A O no hydrogen 3.172 N/A ARG 23.A NH2 ASP 20.A OD1 no hydrogen 2.999 N/A ARG 24.A N ASP 20.A O no hydrogen 3.185 N/A CYS 25.A N GLU 21.A O no hydrogen 2.998 N/A CYS 25.A SG LEU 31.A O no hydrogen 3.361 N/A LEU 26.A N PHE 22.A O no hydrogen 3.111 N/A ARG 27.A N ARG 23.A O no hydrogen 3.122 N/A ARG 27.A NE ASP 28.A OD2 no hydrogen 3.287 N/A ARG 27.A NH2 ASP 28.A OD1 no hydrogen 3.394 N/A ARG 27.A NH2 ASP 28.A OD2 no hydrogen 3.427 N/A ASP 28.A N ARG 24.A O no hydrogen 2.909 N/A LYS 29.A N CYS 25.A O no hydrogen 2.889 N/A LYS 29.A NZ ASP 2.A OD1 no hydrogen 3.306 N/A LYS 29.A NZ THR 4.A O no hydrogen 2.238 N/A GLY 30.A N CYS 25.A O no hydrogen 2.871 N/A PHE 32.A N VAL 202.A O no hydrogen 3.123 N/A TYR 33.A N PRO 6.A O no hydrogen 2.975 N/A TYR 33.A OH PRO 194.A O no hydrogen 2.949 N/A LEU 34.A N VAL 200.A O no hydrogen 2.911 N/A THR 35.A N PHE 8.A O no hydrogen 2.912 N/A THR 35.A OG1 PHE 8.A O no hydrogen 3.462 N/A THR 35.A OG1 ASP 36.A OD2 no hydrogen 3.158 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.183 N/A LEU 44.A N THR 40.A O no hydrogen 3.439 N/A LYS 45.A N ASP 41.A O no hydrogen 2.946 N/A SER 46.A N THR 42.A O no hydrogen 3.138 N/A SER 46.A OG THR 42.A O no hydrogen 3.326 N/A ALA 47.A N GLU 43.A O no hydrogen 3.202 N/A LYS 48.A N LEU 44.A O no hydrogen 2.956 N/A ASP 49.A N LYS 45.A O no hydrogen 2.735 N/A LEU 50.A N SER 46.A O no hydrogen 3.151 N/A VAL 51.A N ALA 47.A O no hydrogen 3.320 N/A ILE 52.A N LYS 48.A O no hydrogen 3.046 N/A ASP 53.A N ASP 49.A O no hydrogen 2.861 N/A ASP 53.A N LEU 50.A O no hydrogen 3.207 N/A PHE 54.A N LEU 50.A O no hydrogen 3.133 N/A PHE 55.A N VAL 51.A O no hydrogen 2.955 N/A GLU 56.A N ILE 52.A O no hydrogen 3.098 N/A HIS 57.A N ASP 53.A O no hydrogen 2.947 N/A GLY 58.A N PHE 54.A O no hydrogen 2.935 N/A SER 59.A N GLU 62.A OE1 no hydrogen 2.970 N/A GLU 62.A N SER 59.A OG no hydrogen 3.395 N/A LYS 63.A N SER 59.A O no hydrogen 3.146 N/A LYS 63.A NZ PHE 55.A O no hydrogen 2.802 N/A LYS 63.A NZ GLY 58.A O no hydrogen 3.005 N/A LYS 63.A NZ SER 82.A OG no hydrogen 3.364 N/A ARG 64.A N GLU 60.A O no hydrogen 3.125 N/A ALA 65.A N ALA 61.A O no hydrogen 3.271 N/A THR 67.A N ARG 64.A O no hydrogen 3.334 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.644 N/A SER 68.A N PHE 77.A O no hydrogen 3.017 N/A SER 68.A OG MET 73.A O no hydrogen 3.305 N/A SER 68.A OG ARG 75.A O no hydrogen 2.778 N/A ARG 75.A NE ALA 92.A O no hydrogen 2.819 N/A ARG 75.A NH1 ARG 74.A O no hydrogen 2.867 N/A ARG 75.A NH2 ALA 92.A O no hydrogen 3.569 N/A GLY 76.A N SER 88.A O no hydrogen 3.232 N/A PHE 77.A N VAL 66.A O no hydrogen 3.061 N/A THR 78.A N CYS 86.A O no hydrogen 2.894 N/A SER 82.A OG LEU 80.A O no hydrogen 2.537 N/A MET 85.A N TYR 149.A O no hydrogen 3.038 N/A CYS 86.A N THR 78.A O no hydrogen 3.033 N/A TYR 87.A N PHE 147.A O no hydrogen 2.868 N/A TYR 87.A OH LEU 95.A O no hydrogen 3.091 N/A SER 88.A N GLY 76.A O no hydrogen 3.143 N/A MET 89.A N LEU 145.A O no hydrogen 2.967 N/A GLY 90.A N ASN 94.A OD1 no hydrogen 3.009 N/A ASN 94.A ND2 GLY 90.A O no hydrogen 2.958 N/A PHE 101.A N SER 98.A OG no hydrogen 3.296 N/A GLU 102.A N SER 98.A O no hydrogen 2.964 N/A ARG 103.A N GLY 99.A O no hydrogen 3.071 N/A ARG 103.A NH2 ASP 100.A OD2 no hydrogen 3.210 N/A ILE 104.A N ASP 100.A O no hydrogen 2.934 N/A TRP 105.A N PHE 101.A O no hydrogen 2.943 N/A TRP 105.A NE1 ALA 47.A O no hydrogen 3.140 N/A THR 106.A N GLU 102.A O no hydrogen 2.954 N/A THR 106.A OG1 GLU 102.A O no hydrogen 2.603 N/A GLN 107.A N ARG 103.A O no hydrogen 3.201 N/A TYR 108.A N ILE 104.A O no hydrogen 2.973 N/A TYR 108.A OH GLN 171.A OE1 no hydrogen 2.932 N/A TYR 108.A OH SER 239.A OG no hydrogen 2.823 N/A PHE 109.A N TRP 105.A O no hydrogen 3.001 N/A ASP 110.A N THR 106.A O no hydrogen 3.009 N/A ARG 111.A N GLN 107.A O no hydrogen 3.039 N/A GLN 112.A N TYR 108.A O no hydrogen 3.030 N/A GLN 112.A NE2 GLN 171.A OE1 no hydrogen 2.954 N/A TYR 113.A N PHE 109.A O no hydrogen 2.860 N/A THR 114.A N ASP 110.A O no hydrogen 2.931 N/A THR 114.A OG1 ASP 110.A O no hydrogen 2.975 N/A ALA 115.A N ARG 111.A O no hydrogen 2.834 N/A SER 116.A N GLN 112.A O no hydrogen 2.901 N/A SER 116.A OG GLN 112.A O no hydrogen 3.080 N/A ARG 117.A N TYR 113.A O no hydrogen 2.927 N/A ALA 118.A N THR 114.A O no hydrogen 3.054 N/A VAL 119.A N ALA 115.A O no hydrogen 2.988 N/A ALA 120.A N SER 116.A O no hydrogen 2.983 N/A ARG 121.A N ARG 117.A O no hydrogen 2.941 N/A ARG 121.A NE GLU 136.A OE2 no hydrogen 3.010 N/A ARG 121.A NH2 GLU 136.A OE1 no hydrogen 2.996 N/A ARG 121.A NH2 GLU 136.A OE2 no hydrogen 3.221 N/A GLU 122.A N ALA 118.A O no hydrogen 3.128 N/A VAL 123.A N VAL 119.A O no hydrogen 3.028 N/A LEU 124.A N ALA 120.A O no hydrogen 3.012 N/A ARG 125.A N ARG 121.A O no hydrogen 3.211 N/A ARG 125.A NE GLU 122.A OE2 no hydrogen 2.799 N/A ARG 125.A NH2 GLU 122.A OE2 no hydrogen 3.359 N/A ALA 126.A N GLU 122.A O no hydrogen 3.146 N/A THR 127.A OG1 VAL 123.A O no hydrogen 2.940 N/A THR 127.A OG1 LEU 124.A O no hydrogen 3.170 N/A THR 127.A OG1 THR 129.A OG1 no hydrogen 2.778 N/A GLY 128.A N ARG 125.A O no hydrogen 3.234 N/A THR 129.A N LEU 124.A O no hydrogen 2.915 N/A THR 129.A OG1 THR 127.A O no hydrogen 3.001 N/A THR 129.A OG1 THR 127.A OG1 no hydrogen 2.778 N/A GLY 134.A N PRO 131.A O no hydrogen 3.173 N/A PHE 138.A N GLY 134.A O no hydrogen 3.333 N/A LEU 139.A N VAL 135.A O no hydrogen 3.037 N/A ASP 140.A N GLU 136.A O no hydrogen 3.067 N/A CYS 141.A N TYR 113.A OH no hydrogen 2.856 N/A CYS 141.A SG LEU 139.A O no hydrogen 3.495 N/A CYS 141.A SG ARG 244.A O no hydrogen 3.037 N/A GLU 142.A N ARG 244.A O no hydrogen 3.007 N/A LEU 144.A N PHE 242.A O no hydrogen 2.998 N/A LEU 145.A N MET 89.A O no hydrogen 2.961 N/A ARG 146.A N VAL 240.A O no hydrogen 2.961 N/A PHE 147.A N TYR 87.A O no hydrogen 2.893 N/A ARG 148.A N SER 238.A O no hydrogen 2.926 N/A TYR 149.A N MET 85.A O no hydrogen 2.920 N/A PHE 150.A N ARG 236.A O no hydrogen 3.138 N/A HIS 161.A N HIS 221.A O no hydrogen 2.967 N/A SER 165.A OG THR 168.A OG1 no hydrogen 2.685 N/A MET 166.A N LEU 243.A O no hydrogen 2.901 N/A THR 168.A N PHE 203.A O no hydrogen 2.876 N/A THR 168.A OG1 ASP 163.A OD1 no hydrogen 3.199 N/A THR 168.A OG1 SER 165.A OG no hydrogen 2.685 N/A LEU 169.A N PHE 241.A O no hydrogen 3.133 N/A ILE 170.A N LEU 201.A O no hydrogen 2.878 N/A GLN 171.A N SER 239.A O no hydrogen 3.051 N/A GLN 171.A NE2 THR 40.A O no hydrogen 3.582 N/A THR 173.A N THR 237.A O no hydrogen 3.149 N/A THR 173.A OG1 THR 237.A OG1 no hydrogen 2.605 N/A CYS 175.A SG PHE 179.A O no hydrogen 3.192 N/A CYS 175.A SG SER 234.A O no hydrogen 3.633 N/A CYS 175.A SG SER 235.A O no hydrogen 3.967 N/A ASN 177.A N GLY 233.A O no hydrogen 2.989 N/A GLY 178.A N CYS 175.A O no hydrogen 3.111 N/A GLN 183.A N HIS 222.A O no hydrogen 3.129 N/A ALA 184.A N THR 191.A O no hydrogen 3.062 N/A GLU 185.A N ARG 220.A O no hydrogen 3.087 N/A VAL 186.A N ALA 189.A O no hydrogen 3.057 N/A ALA 189.A N VAL 186.A O no hydrogen 3.325 N/A THR 191.A N ALA 184.A O no hydrogen 2.851 N/A THR 191.A OG1 THR 3.A O no hydrogen 3.220 N/A LEU 193.A N LEU 182.A O no hydrogen 2.906 N/A TYR 195.A OH ASP 41.A OD1 no hydrogen 2.381 N/A ASP 198.A N ASP 41.A OD2 no hydrogen 3.183 N/A ALA 199.A N ARG 196.A O no hydrogen 3.164 N/A VAL 200.A N LEU 34.A O no hydrogen 3.009 N/A LEU 201.A N ILE 170.A O no hydrogen 3.030 N/A VAL 202.A N PHE 32.A O no hydrogen 2.900 N/A PHE 203.A N THR 168.A O no hydrogen 2.891 N/A CYS 204.A N GLY 30.A O no hydrogen 2.944 N/A CYS 204.A SG GLY 30.A O no hydrogen 3.593 N/A GLY 205.A N MET 166.A O no hydrogen 3.281 N/A ALA 206.A N ASP 163.A O no hydrogen 3.091 N/A ILE 207.A N SER 165.A O no hydrogen 3.224 N/A ALA 208.A N GLY 205.A O no hydrogen 2.972 N/A THR 209.A N GLY 205.A O no hydrogen 3.374 N/A THR 209.A OG1 VAL 216.A O no hydrogen 2.593 N/A LEU 210.A N ALA 206.A O no hydrogen 2.844 N/A VAL 211.A N ILE 207.A O no hydrogen 2.850 N/A THR 212.A N ALA 208.A O no hydrogen 3.210 N/A THR 212.A OG1 ALA 208.A O no hydrogen 2.781 N/A THR 212.A OG1 THR 209.A O no hydrogen 3.316 N/A GLY 213.A N LEU 210.A O no hydrogen 3.267 N/A GLY 214.A N THR 209.A O no hydrogen 3.071 N/A GLN 215.A NE2 THR 127.A O no hydrogen 2.957 N/A GLN 215.A NE2 THR 212.A O no hydrogen 2.883 N/A LYS 217.A N LEU 26.A O no hydrogen 3.044 N/A HIS 221.A N HIS 161.A O no hydrogen 2.779 N/A HIS 221.A ND1 PRO 219.A O no hydrogen 3.159 N/A HIS 222.A N GLN 183.A O no hydrogen 3.004 N/A ALA 224.A N SER 181.A O no hydrogen 2.864 N/A ARG 227.A NH1 ASP 229.A OD1 no hydrogen 3.228 N/A GLN 230.A N ARG 227.A O no hydrogen 3.188 N/A SER 234.A OG ILE 231.A O no hydrogen 2.800 N/A SER 235.A OG PHE 150.A O no hydrogen 2.696 N/A SER 235.A OG PRO 151.A O no hydrogen 3.182 N/A ARG 236.A N PHE 150.A O no hydrogen 3.447 N/A ARG 236.A NH1 SER 234.A O no hydrogen 3.025 N/A THR 237.A OG1 THR 173.A OG1 no hydrogen 2.605 N/A SER 238.A N ARG 148.A O no hydrogen 3.043 N/A SER 239.A N GLN 171.A O no hydrogen 2.885 N/A SER 239.A OG TYR 108.A OH no hydrogen 2.823 N/A SER 239.A OG GLN 112.A OE1 no hydrogen 3.421 N/A VAL 240.A N ARG 146.A O no hydrogen 2.736 N/A PHE 241.A N LEU 169.A O no hydrogen 2.897 N/A PHE 242.A N LEU 144.A O no hydrogen 2.753 N/A LEU 243.A N VAL 167.A O no hydrogen 3.045 N/A ASN 246.A ND2 ALA 137.A O no hydrogen 3.496 N/A ASN 246.A ND2 ASP 140.A O no hydrogen 2.885 N/A ALA 247.A N GLU 142.A OE2 no hydrogen 3.295 N/A PHE 249.A N ASN 246.A O no hydrogen 3.012 N/A PHE 251.A N ALA 270.A O no hydrogen 3.198 N/A VAL 253.A N GLU 268.A O no hydrogen 2.903 N/A LEU 255.A N SER 252.A OG no hydrogen 3.211 N/A ALA 256.A N SER 252.A O no hydrogen 3.270 N/A ARG 257.A N VAL 253.A O no hydrogen 3.356 N/A ARG 257.A NH2 LEU 265.A O no hydrogen 3.059 N/A GLU 258.A N PRO 254.A O no hydrogen 3.022 N/A CYS 259.A N ALA 256.A O no hydrogen 3.211 N/A CYS 259.A SG LEU 255.A O no hydrogen 3.285 N/A GLY 260.A N ARG 257.A O no hydrogen 2.700 N/A PHE 261.A N ALA 256.A O no hydrogen 3.359 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.957 N/A THR 269.A OG1 GLU 268.A OE2 no hydrogen 3.449 N/A ALA 270.A N PHE 251.A O no hydrogen 3.230 N/A THR 271.A N ASP 274.A OD1 no hydrogen 3.239 N/A THR 271.A OG1 ASP 274.A OD1 no hydrogen 3.076 N/A PHE 272.A N PHE 249.A O no hydrogen 3.036 N/A GLN 273.A N ALA 247.A O no hydrogen 3.175 N/A TRP 275.A N THR 271.A O no hydrogen 3.301 N/A TRP 275.A NE1 ASP 262.A O no hydrogen 3.351 N/A ILE 276.A N GLN 273.A O no hydrogen 3.121 N/A