Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwq_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 2.A O no hydrogen 3.379 N/A PHE 7.A N GLN 3.A O no hydrogen 3.075 N/A GLN 9.A N GLU 5.A O no hydrogen 3.219 N/A ARG 10.A N ARG 6.A O no hydrogen 2.960 N/A ILE 11.A N PHE 7.A O no hydrogen 3.043 N/A ALA 12.A N GLU 8.A O no hydrogen 3.269 N/A GLN 13.A N GLN 9.A O no hydrogen 2.929 N/A GLU 14.A N ILE 11.A O no hydrogen 3.430 N/A THR 15.A N ARG 10.A O no hydrogen 2.914 N/A ILE 17.A N SER 140.A O no hydrogen 3.120 N/A GLU 18.A N ASP 21.A OD2 no hydrogen 3.004 N/A ASP 21.A N GLU 18.A O no hydrogen 3.264 N/A TYR 27.A OH SER 140.A OG no hydrogen 2.781 N/A ARG 28.A N PRO 24.A O no hydrogen 3.115 N/A ARG 28.A NH1 LEU 86.A O no hydrogen 2.846 N/A LYS 29.A N ASP 25.A O no hydrogen 2.920 N/A THR 30.A N ALA 26.A O no hydrogen 2.964 N/A THR 30.A OG1 ALA 26.A O no hydrogen 3.523 N/A THR 30.A OG1 TYR 27.A O no hydrogen 3.498 N/A LEU 31.A N TYR 27.A O no hydrogen 3.116 N/A ILE 32.A N ARG 28.A O no hydrogen 3.090 N/A ARG 33.A N LYS 29.A O no hydrogen 3.055 N/A GLN 34.A N THR 30.A O no hydrogen 3.050 N/A GLN 34.A NE2 TYR 144.A OH no hydrogen 3.416 N/A ILE 35.A N LEU 31.A O no hydrogen 2.885 N/A GLY 36.A N ILE 32.A O no hydrogen 2.864 N/A GLN 37.A N ARG 33.A O no hydrogen 2.884 N/A HIS 38.A N GLN 34.A O no hydrogen 2.893 N/A HIS 38.A ND1 TYR 144.A OH no hydrogen 2.892 N/A HIS 38.A NE2 GLN 133.A OE1 no hydrogen 3.215 N/A ALA 39.A N ILE 35.A O no hydrogen 2.904 N/A HIS 40.A N GLY 36.A O no hydrogen 2.946 N/A HIS 40.A ND1 TYR 80.A OH no hydrogen 2.802 N/A SER 41.A N GLN 37.A O no hydrogen 2.911 N/A SER 41.A OG GLN 37.A O no hydrogen 2.910 N/A GLU 42.A N HIS 38.A O no hydrogen 3.285 N/A ILE 43.A N ALA 39.A O no hydrogen 3.279 N/A VAL 44.A N HIS 40.A O no hydrogen 2.833 N/A GLY 45.A N SER 41.A O no hydrogen 2.897 N/A MET 46.A N ILE 43.A O no hydrogen 3.368 N/A LEU 47.A N VAL 44.A O no hydrogen 2.944 N/A GLY 50.A N MET 46.A O no hydrogen 2.700 N/A ASN 51.A N LEU 47.A O no hydrogen 2.958 N/A TRP 52.A N GLU 49.A O no hydrogen 3.121 N/A TRP 52.A NE1 THR 112.A O no hydrogen 3.105 N/A ILE 53.A N GLY 50.A O no hydrogen 3.193 N/A ARG 55.A N TRP 52.A O no hydrogen 3.083 N/A ARG 55.A NH2 ASN 51.A O no hydrogen 2.812 N/A ARG 61.A N THR 58.A OG1 no hydrogen 3.196 N/A LYS 62.A N THR 58.A O no hydrogen 2.899 N/A LYS 62.A NZ ALA 56.A O no hydrogen 3.549 N/A ALA 63.A N LEU 59.A O no hydrogen 2.931 N/A ILE 64.A N ARG 60.A O no hydrogen 3.066 N/A LEU 65.A N ARG 61.A O no hydrogen 2.932 N/A LEU 66.A N LYS 62.A O no hydrogen 2.952 N/A ALA 67.A N ALA 63.A O no hydrogen 2.999 N/A LYS 68.A N ILE 64.A O no hydrogen 3.000 N/A LYS 68.A NZ GLU 72.A OE2 no hydrogen 2.723 N/A LYS 68.A NZ ASP 126.A OD2 no hydrogen 2.680 N/A VAL 69.A N LEU 65.A O no hydrogen 3.017 N/A GLN 70.A N LEU 66.A O no hydrogen 2.951 N/A ASP 71.A N ALA 67.A O no hydrogen 3.035 N/A GLU 72.A N LYS 68.A O no hydrogen 3.036 N/A ALA 73.A N VAL 69.A O no hydrogen 3.193 N/A GLY 74.A N GLN 70.A O no hydrogen 3.148 N/A HIS 75.A N ASP 71.A O no hydrogen 2.840 N/A HIS 75.A NE2 GLU 154.A OE1 no hydrogen 3.225 N/A GLY 76.A N GLU 72.A O no hydrogen 2.856 N/A LEU 77.A N ALA 73.A O no hydrogen 3.072 N/A TYR 78.A N GLY 74.A O no hydrogen 3.050 N/A LEU 79.A N HIS 75.A O no hydrogen 3.135 N/A TYR 80.A N GLY 76.A O no hydrogen 3.000 N/A TYR 80.A OH HIS 40.A ND1 no hydrogen 2.802 N/A SER 81.A N LEU 77.A O no hydrogen 3.047 N/A SER 81.A OG LEU 77.A O no hydrogen 3.421 N/A ALA 82.A N TYR 78.A O no hydrogen 2.928 N/A ALA 83.A N LEU 79.A O no hydrogen 2.874 N/A GLU 84.A N TYR 80.A O no hydrogen 3.021 N/A THR 85.A N SER 81.A O no hydrogen 3.339 N/A THR 85.A OG1 ALA 82.A O no hydrogen 2.833 N/A THR 85.A OG1 TYR 141.A OH no hydrogen 2.626 N/A LEU 86.A N ALA 83.A O no hydrogen 3.072 N/A GLY 87.A N GLU 84.A O no hydrogen 2.933 N/A CYS 88.A SG ALA 83.A O no hydrogen 3.232 N/A ARG 90.A N GLU 84.A OE2 no hydrogen 3.038 N/A ARG 90.A NE GLU 84.A OE2 no hydrogen 3.387 N/A ASP 92.A N ALA 89.A O no hydrogen 3.098 N/A ILE 93.A N ALA 89.A O no hydrogen 3.226 N/A TYR 94.A N ARG 90.A O no hydrogen 2.961 N/A GLN 95.A N GLU 91.A O no hydrogen 3.193 N/A LYS 96.A N ASP 92.A O no hydrogen 3.238 N/A LYS 96.A NZ ASP 92.A OD1 no hydrogen 3.485 N/A MET 97.A N ILE 93.A O no hydrogen 2.981 N/A LEU 98.A N TYR 94.A O no hydrogen 2.975 N/A ASP 99.A N GLN 95.A O no hydrogen 2.883 N/A GLY 100.A N MET 97.A O no hydrogen 3.341 N/A ARG 101.A NE ASP 99.A OD2 no hydrogen 3.289 N/A ARG 101.A NH2 ASP 99.A OD2 no hydrogen 2.629 N/A MET 102.A N LYS 96.A O no hydrogen 2.892 N/A LYS 103.A N GLN 37.A OE1 no hydrogen 3.145 N/A TYR 104.A OH ASN 109.A OD1 no hydrogen 2.671 N/A SER 105.A N SER 41.A OG no hydrogen 2.739 N/A PHE 108.A N SER 105.A O no hydrogen 3.373 N/A ASN 109.A N SER 106.A O no hydrogen 3.058 N/A ASN 109.A ND2 SER 106.A O no hydrogen 3.123 N/A TYR 110.A N ILE 107.A O no hydrogen 3.359 N/A TYR 110.A OH GLU 257.A OE2 no hydrogen 2.482 N/A THR 112.A OG1 PRO 48.A O no hydrogen 3.025 N/A THR 112.A OG1 ASN 51.A OD1 no hydrogen 2.895 N/A LEU 113.A N ASP 117.A OD2 no hydrogen 2.694 N/A SER 114.A OG ASP 117.A OD1 no hydrogen 2.992 N/A ASP 117.A N SER 114.A O no hydrogen 3.136 N/A ILE 118.A N TRP 115.A O no hydrogen 3.078 N/A GLY 119.A N TRP 115.A O no hydrogen 3.476 N/A VAL 120.A N ALA 116.A O no hydrogen 2.781 N/A ILE 121.A N ASP 117.A O no hydrogen 2.774 N/A GLY 122.A N ILE 118.A O no hydrogen 2.863 N/A TRP 123.A N GLY 119.A O no hydrogen 2.835 N/A TRP 123.A NE1 GLN 226.A OE1 no hydrogen 2.783 N/A LEU 124.A N VAL 120.A O no hydrogen 2.642 N/A ASP 126.A N ILE 121.A O no hydrogen 2.984 N/A GLY 127.A N TRP 123.A O no hydrogen 3.026 N/A ALA 128.A N LEU 124.A O no hydrogen 2.949 N/A ALA 129.A N VAL 125.A O no hydrogen 3.030 N/A ILE 130.A N ASP 126.A O no hydrogen 2.886 N/A VAL 131.A N GLY 127.A O no hydrogen 3.257 N/A ASN 132.A N ALA 128.A O no hydrogen 3.119 N/A GLN 133.A N ALA 129.A O no hydrogen 2.773 N/A VAL 134.A N ILE 130.A O no hydrogen 2.806 N/A ALA 135.A N VAL 131.A O no hydrogen 3.190 N/A LEU 136.A N GLN 133.A O no hydrogen 2.877 N/A CYS 137.A N VAL 134.A O no hydrogen 3.162 N/A CYS 137.A SG GLN 133.A O no hydrogen 3.410 N/A THR 139.A N LEU 136.A O no hydrogen 3.160 N/A THR 139.A OG1 ILE 207.A O no hydrogen 2.787 N/A SER 140.A N LYS 206.A O no hydrogen 2.844 N/A SER 140.A OG TYR 27.A OH no hydrogen 2.781 N/A SER 140.A OG TRP 205.A O no hydrogen 2.863 N/A SER 140.A OG LYS 206.A O no hydrogen 3.435 N/A TYR 141.A OH THR 85.A OG1 no hydrogen 2.626 N/A GLY 142.A N ILE 17.A O no hydrogen 2.760 N/A TYR 144.A N TYR 141.A O no hydrogen 2.926 N/A TYR 144.A OH HIS 38.A ND1 no hydrogen 2.892 N/A ALA 145.A N TYR 141.A O no hydrogen 3.084 N/A ARG 146.A N GLY 142.A O no hydrogen 2.995 N/A ARG 146.A NH1 GLU 18.A OE2 no hydrogen 2.825 N/A ARG 146.A NH2 GLU 18.A OE1 no hydrogen 2.538 N/A ALA 147.A N PRO 143.A O no hydrogen 3.221 N/A MET 148.A N TYR 144.A O no hydrogen 2.924 N/A VAL 149.A N ALA 145.A O no hydrogen 2.965 N/A LYS 150.A N ARG 146.A O no hydrogen 3.052 N/A ILE 151.A N ALA 147.A O no hydrogen 2.821 N/A CYS 152.A N MET 148.A O no hydrogen 2.921 N/A CYS 152.A SG MET 148.A O no hydrogen 3.370 N/A LYS 153.A N VAL 149.A O no hydrogen 3.231 N/A GLU 155.A N ILE 151.A O no hydrogen 2.818 N/A SER 156.A N CYS 152.A O no hydrogen 3.276 N/A SER 156.A OG CYS 152.A O no hydrogen 3.179 N/A SER 156.A OG LYS 153.A O no hydrogen 3.422 N/A PHE 157.A N GLU 154.A O no hydrogen 3.267 N/A HIS 158.A NE2 ASP 71.A OD2 no hydrogen 3.158 N/A GLN 159.A N GLU 155.A O no hydrogen 3.058 N/A GLN 159.A NE2 TRP 123.A O no hydrogen 2.956 N/A ARG 160.A N SER 156.A O no hydrogen 3.127 N/A ARG 160.A N PHE 157.A O no hydrogen 3.211 N/A GLN 161.A N PHE 157.A O no hydrogen 3.299 N/A GLY 162.A N HIS 158.A O no hydrogen 2.977 N/A PHE 163.A N GLN 159.A O no hydrogen 3.141 N/A GLU 164.A N ARG 160.A O no hydrogen 2.933 N/A ALA 165.A N GLN 161.A O no hydrogen 2.966 N/A CYS 166.A N GLY 162.A O no hydrogen 3.142 N/A CYS 166.A SG GLY 162.A O no hydrogen 3.445 N/A MET 167.A N PHE 163.A O no hydrogen 2.836 N/A ALA 168.A N GLU 164.A O no hydrogen 2.996 N/A LEU 169.A N ALA 165.A O no hydrogen 3.355 N/A ALA 170.A N CYS 166.A O no hydrogen 2.886 N/A GLN 171.A N MET 167.A O no hydrogen 3.017 N/A GLY 172.A N LEU 169.A O no hydrogen 3.156 N/A SER 173.A N GLN 176.A OE1 no hydrogen 2.833 N/A GLN 176.A N SER 173.A OG no hydrogen 3.239 N/A LYS 177.A N SER 173.A O no hydrogen 3.048 N/A GLN 178.A N GLU 174.A O no hydrogen 3.033 N/A MET 179.A N ALA 175.A O no hydrogen 2.959 N/A LEU 180.A N GLN 176.A O no hydrogen 3.134 N/A GLN 181.A N LYS 177.A O no hydrogen 3.063 N/A GLN 181.A NE2 GLN 181.A O no hydrogen 3.250 N/A GLN 181.A NE2 ASN 185.A OD1 no hydrogen 2.901 N/A GLN 181.A NE2 THR 233.A O no hydrogen 2.853 N/A ASP 182.A N GLN 178.A O no hydrogen 2.904 N/A ALA 183.A N MET 179.A O no hydrogen 3.149 N/A ILE 184.A N LEU 180.A O no hydrogen 3.008 N/A ASN 185.A N GLN 181.A O no hydrogen 2.913 N/A ARG 186.A N ASP 182.A O no hydrogen 3.126 N/A ARG 186.A N ALA 183.A O no hydrogen 3.262 N/A ARG 186.A NE ASP 182.A OD2 no hydrogen 3.233 N/A ARG 186.A NH1 ASP 117.A OD2 no hydrogen 2.718 N/A ARG 186.A NH2 ASP 117.A OD1 no hydrogen 2.673 N/A ARG 186.A NH2 ASP 117.A OD2 no hydrogen 3.337 N/A ARG 186.A NH2 ASP 182.A OD2 no hydrogen 3.144 N/A PHE 187.A N ILE 184.A O no hydrogen 3.210 N/A TRP 188.A N ILE 184.A O no hydrogen 2.985 N/A TRP 189.A NE1 PRO 235.A O no hydrogen 3.046 N/A ALA 191.A N PHE 187.A O no hydrogen 2.945 N/A LEU 192.A N TRP 188.A O no hydrogen 3.131 N/A MET 193.A N TRP 189.A O no hydrogen 3.013 N/A MET 194.A N ALA 191.A O no hydrogen 3.190 N/A GLY 196.A N MET 193.A O no hydrogen 2.923 N/A LEU 203.A N SER 199.A O no hydrogen 3.031 N/A THR 204.A N ALA 200.A O no hydrogen 3.303 N/A THR 204.A OG1 ALA 200.A O no hydrogen 2.769 N/A TRP 205.A N ARG 201.A O no hydrogen 2.741 N/A LYS 206.A N LEU 203.A O no hydrogen 3.015 N/A LYS 206.A NZ ILE 11.A O no hydrogen 2.815 N/A LYS 206.A NZ GLU 14.A OE2 no hydrogen 2.499 N/A ILE 207.A N SER 202.A O no hydrogen 2.870 N/A LYS 208.A N SER 202.A O no hydrogen 3.361 N/A ARG 209.A NH1 GLU 14.A OE1 no hydrogen 3.251 N/A ARG 209.A NH1 ARG 138.A O no hydrogen 3.024 N/A THR 211.A N GLU 214.A OE1 no hydrogen 3.391 N/A ASN 212.A ND2 PRO 197.A O no hydrogen 2.798 N/A GLU 214.A N THR 211.A OG1 no hydrogen 3.156 N/A LEU 215.A N THR 211.A O no hydrogen 3.090 N/A ARG 216.A N ASN 212.A O no hydrogen 2.977 N/A ARG 216.A NH1 GLY 196.A O no hydrogen 2.969 N/A ARG 216.A NH1 ASP 213.A OD1 no hydrogen 2.941 N/A ARG 216.A NH2 LEU 192.A O no hydrogen 2.905 N/A ARG 216.A NH2 GLY 196.A O no hydrogen 2.850 N/A GLN 217.A N ASP 213.A O no hydrogen 2.934 N/A GLN 217.A NE2 GLN 217.A O no hydrogen 3.286 N/A GLN 217.A NE2 ASP 221.A OD1 no hydrogen 3.127 N/A GLN 217.A NE2 TYR 248.A O no hydrogen 2.948 N/A ARG 218.A N GLU 214.A O no hydrogen 3.285 N/A ARG 218.A N LEU 215.A O no hydrogen 3.218 N/A ARG 218.A NH1 ASN 222.A OD1 no hydrogen 2.897 N/A PHE 219.A N LEU 215.A O no hydrogen 2.981 N/A VAL 220.A N ARG 216.A O no hydrogen 2.905 N/A ASP 221.A N GLN 217.A O no hydrogen 2.901 N/A ASN 222.A N ARG 218.A O no hydrogen 3.094 N/A THR 223.A N PHE 219.A O no hydrogen 2.832 N/A THR 223.A N VAL 220.A O no hydrogen 3.160 N/A THR 223.A OG1 PHE 219.A O no hydrogen 2.522 N/A VAL 224.A N VAL 220.A O no hydrogen 3.094 N/A GLN 226.A NE2 ASN 222.A O no hydrogen 2.742 N/A VAL 227.A N THR 223.A O no hydrogen 2.978 N/A GLU 228.A N VAL 224.A O no hydrogen 3.040 N/A MET 229.A N PRO 225.A O no hydrogen 2.951 N/A LEU 230.A N VAL 227.A O no hydrogen 3.301 N/A GLY 231.A N GLU 228.A O no hydrogen 3.066 N/A MET 232.A N VAL 227.A O no hydrogen 3.210 N/A THR 233.A N GLN 181.A OE1 no hydrogen 2.877 N/A ASP 236.A N VAL 234.A O no hydrogen 2.641 N/A ASP 238.A N ASP 236.A OD1 no hydrogen 3.101 N/A LEU 239.A N ASP 236.A O no hydrogen 3.261 N/A HIS 240.A N ARG 249.A O no hydrogen 2.906 N/A HIS 240.A ND1 ASP 238.A O no hydrogen 2.950 N/A ASP 242.A N HIS 247.A O no hydrogen 3.116 N/A SER 245.A OG ASP 242.A OD2 no hydrogen 3.207 N/A GLY 246.A N ASP 242.A O no hydrogen 2.814 N/A HIS 247.A N SER 245.A OG no hydrogen 3.221 N/A TYR 248.A N ASP 221.A OD1 no hydrogen 3.205 N/A ARG 249.A N HIS 240.A O no hydrogen 2.781 N/A GLY 251.A N ASP 236.A OD2 no hydrogen 2.775 N/A GLU 257.A N ASP 254.A OD1 no hydrogen 3.322 N/A PHE 258.A N ASP 254.A O no hydrogen 3.287 N/A ASN 259.A N TRP 255.A O no hydrogen 2.962 N/A GLU 260.A N GLN 256.A O no hydrogen 3.017 N/A VAL 261.A N GLU 257.A O no hydrogen 2.925 N/A ILE 262.A N PHE 258.A O no hydrogen 3.112 N/A ASN 263.A N ASN 259.A O no hydrogen 3.281 N/A ASN 263.A N GLU 260.A O no hydrogen 3.271 N/A GLY 264.A N VAL 261.A O no hydrogen 3.190 N/A ARG 265.A N GLU 260.A O no hydrogen 2.771 N/A ARG 265.A NE GLU 260.A OE1 no hydrogen 2.688 N/A ARG 265.A NH2 GLU 260.A OE1 no hydrogen 3.449 N/A ARG 265.A NH2 GLU 260.A OE2 no hydrogen 3.247 N/A CYS 268.A N ASN 109.A O no hydrogen 2.799 N/A ASN 269.A ND2 VAL 261.A O no hydrogen 2.803 N/A GLN 270.A NE2 ASP 274.A OD1 no hydrogen 2.826 N/A GLN 270.A NE2 ASP 274.A OD2 no hydrogen 3.437 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.741 N/A ARG 272.A N CYS 268.A O no hydrogen 2.941 N/A ARG 272.A N ASN 269.A O no hydrogen 3.266 N/A ARG 272.A NE PHE 108.A O no hydrogen 2.680 N/A ARG 272.A NH2 TYR 110.A O no hydrogen 3.070 N/A LEU 273.A N ASN 269.A O no hydrogen 3.201 N/A ASP 274.A N GLN 270.A O no hydrogen 2.852 N/A ALA 275.A N GLU 271.A O no hydrogen 3.082 N/A LYS 276.A N ARG 272.A O no hydrogen 3.113 N/A ARG 277.A N LEU 273.A O no hydrogen 2.866 N/A ARG 277.A NH1 LEU 98.A O no hydrogen 2.640 N/A ARG 277.A NH2 ASP 274.A OD1 no hydrogen 2.837 N/A LYS 278.A N ASP 274.A O no hydrogen 2.874 N/A LYS 278.A NZ GLU 282.A OE1 no hydrogen 2.956 N/A LYS 278.A NZ GLU 282.A OE2 no hydrogen 3.208 N/A ALA 279.A N ALA 275.A O no hydrogen 2.979 N/A TRP 280.A N LYS 276.A O no hydrogen 2.860 N/A GLU 281.A N ARG 277.A O no hydrogen 2.739 N/A GLU 282.A N LYS 278.A O no hydrogen 2.966 N/A GLY 283.A N TRP 280.A O no hydrogen 3.164 N/A THR 284.A N GLU 281.A O no hydrogen 3.117 N/A THR 284.A OG1 TRP 280.A O no hydrogen 3.353 N/A THR 284.A OG1 GLU 281.A O no hydrogen 2.713 N/A VAL 286.A N GLY 283.A O no hydrogen 2.982 N/A ARG 287.A N GLY 283.A O no hydrogen 3.133 N/A ARG 287.A NH1 TRP 280.A O no hydrogen 2.905 N/A ARG 287.A NH2 TRP 280.A O no hydrogen 3.085 N/A GLU 288.A N THR 284.A O no hydrogen 2.927 N/A ALA 289.A N TRP 285.A O no hydrogen 3.063 N/A ALA 290.A N VAL 286.A O no hydrogen 3.131 N/A LEU 291.A N ARG 287.A O no hydrogen 3.085 N/A ALA 292.A N GLU 288.A O no hydrogen 2.895 N/A HIS 293.A N ALA 289.A O no hydrogen 2.989 N/A ALA 294.A N ALA 290.A O no hydrogen 3.215 N/A GLN 295.A N LEU 291.A O no hydrogen 3.160 N/A LYS 296.A N HIS 293.A O no hydrogen 3.308 N/A