Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qpa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ALA 10.A O no hydrogen 2.903 N/A CYS 3.A N HIS 8.A O no hydrogen 2.995 N/A CYS 3.A SG HIS 8.A O no hydrogen 3.360 N/A GLY 6.A N CYS 3.A O no hydrogen 3.128 N/A VAL 7.A N ASP 5.A OD1 no hydrogen 3.011 N/A HIS 8.A N ASP 5.A OD1 no hydrogen 2.948 N/A HIS 8.A ND1 ASP 5.A OD2 no hydrogen 2.494 N/A ALA 10.A N VAL 1.A O no hydrogen 2.932 N/A SER 11.A N GLU 287.A OE1 no hydrogen 2.894 N/A SER 11.A N GLU 287.A OE2 no hydrogen 3.224 N/A SER 11.A OG GLU 287.A OE2 no hydrogen 2.786 N/A CYS 15.A N ASN 12.A O no hydrogen 2.995 N/A CYS 15.A SG ASP 284.A O no hydrogen 3.752 N/A CYS 16.A SG ALA 13.A O no hydrogen 3.436 N/A TRP 18.A N CYS 15.A O no hydrogen 2.891 N/A PHE 19.A N CYS 16.A O no hydrogen 3.334 N/A LEU 22.A N TRP 18.A O no hydrogen 2.964 N/A ASP 23.A N PHE 19.A O no hydrogen 3.169 N/A ASP 24.A N PRO 20.A O no hydrogen 3.264 N/A ILE 25.A N VAL 21.A O no hydrogen 2.953 N/A GLN 26.A N LEU 22.A O no hydrogen 2.886 N/A GLN 26.A NE2 ASN 120.A OD1 no hydrogen 3.028 N/A GLN 27.A N ASP 23.A O no hydrogen 3.141 N/A ASN 28.A N ASP 24.A O no hydrogen 2.886 N/A ASN 28.A ND2 ASP 24.A O no hydrogen 3.290 N/A ASN 28.A ND2 ASP 24.A OD1 no hydrogen 3.044 N/A LEU 29.A N ILE 25.A O no hydrogen 2.869 N/A PHE 30.A N ILE 25.A O no hydrogen 2.901 N/A HIS 31.A NE2 GLU 38.A OE2 no hydrogen 3.152 N/A GLY 32.A N GLN 26.A O no hydrogen 2.938 N/A GLY 33.A N GLN 26.A O no hydrogen 3.142 N/A GLN 34.A N PHE 30.A O no hydrogen 2.770 N/A GLN 34.A NE2 GLY 32.A O no hydrogen 3.360 N/A CYS 35.A SG HIS 40.A NE2 no hydrogen 3.831 N/A CYS 35.A SG PRO 197.A O no hydrogen 4.029 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.798 N/A HIS 40.A N GLY 36.A O no hydrogen 3.096 N/A GLU 41.A N ALA 37.A O no hydrogen 2.970 N/A ALA 42.A N GLU 38.A O no hydrogen 3.045 N/A LEU 43.A N ALA 39.A O no hydrogen 3.199 N/A ARG 44.A N HIS 40.A O no hydrogen 3.164 N/A ARG 44.A NE HIS 48.A NE2 no hydrogen 3.598 N/A ARG 44.A NH1 ILE 86.A O no hydrogen 3.045 N/A ARG 44.A NH2 PRO 84.A O no hydrogen 3.288 N/A ARG 44.A NH2 ILE 86.A O no hydrogen 2.846 N/A MET 45.A N GLU 41.A O no hydrogen 2.998 N/A VAL 46.A N ALA 42.A O no hydrogen 3.383 N/A PHE 47.A N LEU 43.A O no hydrogen 3.493 N/A HIS 48.A N ARG 44.A O no hydrogen 3.079 N/A HIS 48.A ND1 ASN 85.A OD1 no hydrogen 2.656 N/A ASP 49.A N MET 45.A O no hydrogen 2.980 N/A SER 50.A N VAL 46.A O no hydrogen 2.950 N/A SER 50.A OG VAL 46.A O no hydrogen 2.807 N/A ILE 51.A N PHE 47.A O no hydrogen 3.059 N/A ILE 53.A N ILE 51.A O no hydrogen 2.925 N/A SER 54.A OG ASP 161.A OD2 no hydrogen 2.361 N/A LYS 56.A N ASP 161.A OD1 no hydrogen 3.200 N/A LEU 57.A N SER 54.A OG no hydrogen 3.207 N/A GLN 58.A N SER 54.A O no hydrogen 3.011 N/A SER 59.A N PRO 55.A O no hydrogen 2.857 N/A SER 59.A OG LYS 56.A O no hydrogen 2.999 N/A GLN 60.A N LEU 57.A O no hydrogen 3.045 N/A GLY 61.A N GLN 58.A O no hydrogen 3.007 N/A LYS 62.A N LEU 57.A O no hydrogen 3.127 N/A GLY 64.A N GLN 58.A OE1 no hydrogen 2.625 N/A GLY 67.A N ALA 52.A O no hydrogen 3.326 N/A ALA 68.A N LEU 275.A O no hydrogen 2.946 N/A ASP 69.A N GLY 67.A O no hydrogen 2.873 N/A GLY 70.A N ASP 49.A OD2 no hydrogen 2.901 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.990 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 3.060 N/A SER 71.A OG GLU 79.A OE2 no hydrogen 2.641 N/A ILE 73.A N GLY 70.A O no hydrogen 3.103 N/A THR 74.A N GLY 70.A O no hydrogen 3.119 N/A THR 74.A OG1 GLY 70.A O no hydrogen 3.449 N/A PHE 75.A N SER 71.A O no hydrogen 2.762 N/A SER 76.A N ILE 73.A O no hydrogen 3.141 N/A SER 76.A OG ILE 73.A O no hydrogen 3.425 N/A ILE 78.A N PHE 75.A O no hydrogen 3.004 N/A GLU 79.A N PHE 75.A O no hydrogen 2.957 N/A THR 80.A N SER 76.A O no hydrogen 2.816 N/A THR 80.A OG1 SER 76.A O no hydrogen 2.705 N/A THR 81.A N ILE 78.A O no hydrogen 3.302 N/A THR 81.A OG1 ILE 78.A O no hydrogen 2.825 N/A TYR 82.A N GLU 79.A O no hydrogen 3.344 N/A TYR 82.A OH ALA 140.A O no hydrogen 2.535 N/A HIS 83.A ND1 GLU 147.A OE2 no hydrogen 2.579 N/A ASN 85.A N TYR 82.A O no hydrogen 3.023 N/A ASN 85.A ND2 GLU 79.A O no hydrogen 2.929 N/A ILE 86.A N HIS 83.A O no hydrogen 3.187 N/A LEU 88.A N ASN 85.A O no hydrogen 3.063 N/A GLU 90.A N GLY 87.A O no hydrogen 3.301 N/A GLU 90.A N ASP 89.A OD1 no hydrogen 3.055 N/A VAL 92.A N LEU 88.A O no hydrogen 2.821 N/A ALA 93.A N ASP 89.A O no hydrogen 3.237 N/A ILE 94.A N GLU 90.A O no hydrogen 3.098 N/A GLN 95.A N VAL 91.A O no hydrogen 3.013 N/A LYS 96.A N VAL 92.A O no hydrogen 2.820 N/A PHE 98.A N GLN 95.A O no hydrogen 3.129 N/A ILE 99.A N GLN 95.A O no hydrogen 3.478 N/A ALA 100.A N LYS 96.A O no hydrogen 3.051 N/A LYS 101.A N PRO 97.A O no hydrogen 3.138 N/A LYS 101.A NZ ASP 24.A OD1 no hydrogen 3.209 N/A HIS 102.A N ILE 99.A O no hydrogen 3.290 N/A HIS 102.A NE2 ASP 24.A OD2 no hydrogen 2.465 N/A THR 105.A OG1 ASP 108.A OD2 no hydrogen 2.815 N/A THR 105.A OG1 ARG 133.A O no hydrogen 2.883 N/A ASP 108.A N THR 105.A OG1 no hydrogen 3.119 N/A PHE 109.A N THR 105.A O no hydrogen 2.906 N/A ILE 110.A N PRO 106.A O no hydrogen 2.941 N/A ALA 111.A N GLY 107.A O no hydrogen 3.265 N/A PHE 112.A N ASP 108.A O no hydrogen 3.002 N/A ALA 113.A N PHE 109.A O no hydrogen 2.834 N/A GLY 114.A N ILE 110.A O no hydrogen 2.956 N/A ALA 115.A N ALA 111.A O no hydrogen 3.202 N/A VAL 116.A N PHE 112.A O no hydrogen 2.952 N/A GLY 117.A N ALA 113.A O no hydrogen 2.819 N/A VAL 118.A N GLY 114.A O no hydrogen 3.154 N/A SER 119.A N ALA 115.A O no hydrogen 3.224 N/A SER 119.A OG ALA 115.A O no hydrogen 2.973 N/A ASN 120.A N GLY 117.A O no hydrogen 3.293 N/A ASN 120.A ND2 GLN 26.A OE1 no hydrogen 3.095 N/A CYS 121.A N VAL 118.A O no hydrogen 2.995 N/A CYS 121.A SG GLY 117.A O no hydrogen 3.674 N/A GLY 123.A N LYS 293.A O no hydrogen 3.351 N/A ALA 124.A N CYS 121.A O no hydrogen 3.026 N/A GLN 126.A NE2 MET 127.A O no hydrogen 3.504 N/A GLN 126.A NE2 ILE 289.A O no hydrogen 3.365 N/A GLN 126.A NE2 PRO 290.A O no hydrogen 3.371 N/A GLN 128.A NE2 THR 270.A OG1 no hydrogen 2.300 N/A PHE 129.A N SER 286.A OG no hydrogen 2.962 N/A LEU 131.A N ILE 283.A O no hydrogen 2.765 N/A GLY 132.A N ASP 108.A OD1 no hydrogen 2.937 N/A ARG 133.A N ASP 108.A OD2 no hydrogen 3.119 N/A ARG 133.A NE SER 273.A O no hydrogen 3.184 N/A ARG 133.A NH1 ASP 108.A OD1 no hydrogen 2.886 N/A ARG 133.A NH1 PHE 130.A O no hydrogen 2.677 N/A ARG 133.A NH2 PHE 130.A O no hydrogen 3.288 N/A ARG 133.A NH2 SER 273.A O no hydrogen 2.924 N/A ALA 140.A N GLU 79.A OE2 no hydrogen 3.073 N/A GLY 143.A N ASP 142.A OD1 no hydrogen 2.637 N/A GLU 147.A N HIS 150.A ND1 no hydrogen 3.131 N/A HIS 150.A N GLU 147.A O no hydrogen 3.326 N/A THR 151.A N GLN 154.A OE1 no hydrogen 2.930 N/A GLN 154.A N THR 151.A OG1 no hydrogen 3.116 N/A VAL 155.A N THR 151.A O no hydrogen 2.993 N/A LEU 156.A N ILE 152.A O no hydrogen 2.821 N/A ALA 157.A N ASP 153.A O no hydrogen 3.051 N/A ARG 158.A N GLN 154.A O no hydrogen 3.224 N/A ARG 158.A NH1 ILE 51.A O no hydrogen 3.042 N/A ARG 158.A NH1 LEU 144.A O no hydrogen 2.818 N/A ARG 158.A NH2 ILE 53.A O no hydrogen 2.833 N/A ARG 158.A NH2 ASP 161.A OD2 no hydrogen 2.894 N/A MET 159.A N VAL 155.A O no hydrogen 3.076 N/A LEU 160.A N LEU 156.A O no hydrogen 3.043 N/A ASP 161.A N ALA 157.A O no hydrogen 3.066 N/A ALA 162.A N ARG 158.A O no hydrogen 2.808 N/A GLY 163.A N MET 159.A O no hydrogen 3.254 N/A GLY 164.A N LEU 160.A O no hydrogen 2.799 N/A PHE 165.A N MET 159.A O no hydrogen 3.359 N/A GLU 169.A N ASP 166.A OD1 no hydrogen 2.775 N/A THR 170.A N ASP 166.A O no hydrogen 2.928 N/A THR 170.A OG1 ASP 166.A O no hydrogen 2.619 N/A VAL 171.A N GLU 167.A O no hydrogen 3.404 N/A VAL 171.A N ILE 168.A O no hydrogen 3.163 N/A LEU 173.A N THR 170.A O no hydrogen 3.235 N/A ALA 175.A N LEU 172.A O no hydrogen 3.292 N/A HIS 176.A N LEU 173.A O no hydrogen 2.935 N/A HIS 176.A ND1 ASP 238.A OD2 no hydrogen 2.991 N/A SER 177.A N SER 174.A O no hydrogen 3.034 N/A SER 177.A OG ASP 194.A OD2 no hydrogen 3.292 N/A SER 177.A OG GLN 199.A O no hydrogen 3.465 N/A SER 177.A OG ASP 201.A O no hydrogen 2.408 N/A ILE 178.A N ALA 175.A O no hydrogen 3.369 N/A ALA 181.A N LEU 191.A O no hydrogen 2.851 N/A THR 187.A N ASP 185.A OD1 no hydrogen 2.900 N/A THR 187.A OG1 ASP 185.A OD1 no hydrogen 2.638 N/A GLY 190.A N ALA 181.A O no hydrogen 2.996 N/A LEU 191.A N ALA 181.A O no hydrogen 3.237 N/A PHE 193.A N ALA 179.A O no hydrogen 3.039 N/A SER 195.A N GLU 207.A OE1 no hydrogen 2.772 N/A SER 195.A OG GLU 207.A OE2 no hydrogen 2.732 N/A THR 196.A N ASP 194.A OD1 no hydrogen 3.041 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 3.466 N/A THR 196.A OG1 ASP 194.A OD2 no hydrogen 3.541 N/A THR 196.A OG1 ASP 201.A OD1 no hydrogen 2.892 N/A THR 196.A OG1 ASP 201.A OD2 no hydrogen 2.550 N/A GLN 199.A N THR 196.A O no hydrogen 2.987 N/A PHE 200.A N PRO 122.A O no hydrogen 2.844 N/A ASP 201.A N SER 177.A OG no hydrogen 3.150 N/A SER 202.A OG PHE 254.A O no hydrogen 2.656 N/A GLN 203.A N ASP 201.A OD1 no hydrogen 3.488 N/A GLN 203.A NE2 GLU 207.A OE2 no hydrogen 3.050 N/A GLN 203.A NE2 PHE 301.A O no hydrogen 2.824 N/A PHE 205.A N SER 202.A O no hydrogen 3.148 N/A VAL 206.A N SER 202.A O no hydrogen 3.256 N/A GLU 207.A N GLN 203.A O no hydrogen 2.753 N/A THR 208.A N PHE 204.A O no hydrogen 3.186 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.714 N/A THR 208.A OG1 PHE 205.A O no hydrogen 3.562 N/A GLN 209.A N VAL 206.A O no hydrogen 3.239 N/A GLN 209.A NE2 ALA 242.A O no hydrogen 3.216 N/A GLN 209.A NE2 GLU 312.A O no hydrogen 3.020 N/A LEU 210.A N GLU 207.A O no hydrogen 3.508 N/A ARG 211.A N ASP 310.A O no hydrogen 2.816 N/A THR 213.A N SER 227.A O no hydrogen 2.973 N/A THR 213.A OG1 SER 227.A O no hydrogen 3.535 N/A ALA 214.A N SER 227.A O no hydrogen 3.215 N/A LYS 218.A N ASP 185.A OD2 no hydrogen 2.664 N/A THR 224.A N ILE 221.A O no hydrogen 3.077 N/A THR 224.A OG1 ILE 221.A O no hydrogen 2.870 N/A VAL 225.A N ARG 234.A O no hydrogen 3.256 N/A SER 227.A N ALA 214.A O no hydrogen 2.775 N/A SER 227.A OG LEU 229.A O no hydrogen 3.250 N/A SER 227.A OG GLU 232.A O no hydrogen 2.427 N/A LYS 230.A NZ PHE 215.A O no hydrogen 3.184 N/A GLU 232.A N LEU 229.A O no hydrogen 3.254 N/A MET 233.A N PRO 192.A O no hydrogen 3.103 N/A ARG 234.A NH1 LEU 210.A O no hydrogen 3.244 N/A ARG 234.A NH1 HIS 239.A ND1 no hydrogen 2.998 N/A ARG 234.A NH2 GLU 207.A O no hydrogen 2.847 N/A ARG 234.A NH2 LEU 210.A O no hydrogen 2.747 N/A GLN 236.A N GLY 223.A O no hydrogen 2.606 N/A THR 237.A N PRO 148.A O no hydrogen 3.189 N/A HIS 239.A N LEU 235.A O no hydrogen 3.042 N/A LEU 240.A N GLN 236.A O no hydrogen 2.942 N/A PHE 241.A N THR 237.A O no hydrogen 2.826 N/A ALA 242.A N ASP 238.A O no hydrogen 3.215 N/A ARG 243.A N LEU 240.A O no hydrogen 3.116 N/A ARG 243.A NE GLU 312.A OE1 no hydrogen 3.144 N/A ARG 243.A NH1 THR 208.A O no hydrogen 2.737 N/A ARG 243.A NH1 HIS 239.A O no hydrogen 3.095 N/A ARG 243.A NH2 THR 208.A O no hydrogen 2.988 N/A ARG 243.A NH2 GLU 312.A OE1 no hydrogen 2.786 N/A ASP 244.A N LEU 240.A O no hydrogen 2.887 N/A ARG 246.A N ASP 244.A OD1 no hydrogen 2.730 N/A ARG 246.A NE ASP 244.A OD1 no hydrogen 3.026 N/A ARG 246.A NH1 ASP 153.A OD1 no hydrogen 2.583 N/A ARG 246.A NH2 ASP 153.A OD1 no hydrogen 2.958 N/A ARG 246.A NH2 ASP 244.A OD2 no hydrogen 2.881 N/A THR 247.A N ASP 244.A O no hydrogen 3.082 N/A THR 247.A OG1 PHE 241.A O no hydrogen 2.714 N/A ALA 248.A N ASP 244.A O no hydrogen 2.705 N/A CYS 249.A SG SER 317.A OG no hydrogen 3.537 N/A TRP 251.A N THR 247.A O no hydrogen 2.998 N/A TRP 251.A NE1 THR 208.A OG1 no hydrogen 2.843 N/A GLN 252.A N ALA 248.A O no hydrogen 3.038 N/A GLN 252.A NE2 THR 318.A O no hydrogen 2.936 N/A SER 253.A N CYS 249.A O no hydrogen 3.164 N/A SER 253.A N GLU 250.A O no hydrogen 3.110 N/A SER 253.A OG GLU 250.A O no hydrogen 2.554 N/A VAL 255.A N GLN 252.A O no hydrogen 3.096 N/A ASN 256.A N SER 300.A OG no hydrogen 2.893 N/A ASN 257.A N PHE 254.A O no hydrogen 2.882 N/A GLN 258.A NE2 GLY 123.A O no hydrogen 3.063 N/A GLN 258.A NE2 PHE 200.A O no hydrogen 2.838 N/A LYS 260.A N ASN 257.A OD1 no hydrogen 3.174 N/A LYS 260.A NZ GLU 250.A OE2 no hydrogen 2.744 N/A LYS 260.A NZ SER 253.A OG no hydrogen 2.888 N/A LYS 260.A NZ ASP 264.A OD2 no hydrogen 3.214 N/A LEU 261.A N ASN 257.A O no hydrogen 3.226 N/A GLN 262.A N GLN 258.A O no hydrogen 3.083 N/A GLN 262.A NE2 GLY 123.A O no hydrogen 2.952 N/A GLU 263.A N THR 259.A O no hydrogen 3.041 N/A ASP 264.A N LYS 260.A O no hydrogen 2.956 N/A PHE 265.A N LEU 261.A O no hydrogen 3.235 N/A GLN 266.A N GLN 262.A O no hydrogen 2.946 N/A GLN 266.A NE2 GLN 126.A O no hydrogen 2.610 N/A PHE 267.A N GLU 263.A O no hydrogen 3.387 N/A ILE 268.A N ASP 264.A O no hydrogen 2.973 N/A PHE 269.A N PHE 265.A O no hydrogen 2.925 N/A THR 270.A N GLN 266.A O no hydrogen 3.422 N/A THR 270.A OG1 GLN 266.A O no hydrogen 3.378 N/A ALA 271.A N PHE 267.A O no hydrogen 3.147 N/A LEU 272.A N ILE 268.A O no hydrogen 2.958 N/A SER 273.A N PHE 269.A O no hydrogen 2.978 N/A SER 273.A OG PHE 269.A O no hydrogen 3.377 N/A SER 273.A OG THR 270.A O no hydrogen 3.099 N/A THR 274.A N THR 270.A O no hydrogen 3.245 N/A THR 274.A N ALA 271.A O no hydrogen 3.413 N/A THR 274.A OG1 THR 270.A O no hydrogen 3.038 N/A THR 274.A OG1 ALA 271.A O no hydrogen 3.337 N/A LEU 275.A N LEU 272.A O no hydrogen 3.367 N/A HIS 277.A N THR 274.A O no hydrogen 3.202 N/A HIS 277.A NE2 ALA 68.A O no hydrogen 2.731 N/A ASN 280.A N ASP 278.A OD1 no hydrogen 3.326 N/A ALA 281.A N ASP 278.A O no hydrogen 3.076 N/A MET 282.A N MET 279.A O no hydrogen 3.137 N/A ILE 283.A N LEU 131.A O no hydrogen 2.898 N/A CYS 285.A N PHE 129.A O no hydrogen 2.756 N/A SER 286.A N ASP 284.A OD1 no hydrogen 3.070 N/A SER 286.A OG ASP 284.A OD1 no hydrogen 2.778 N/A VAL 288.A N CYS 285.A O no hydrogen 3.237 N/A ILE 289.A N SER 286.A O no hydrogen 3.059 N/A LYS 293.A N SER 119.A O no hydrogen 2.912 N/A SER 300.A N ASN 256.A OD1 no hydrogen 3.229 N/A PHE 301.A N GLN 203.A OE1 no hydrogen 3.154 N/A PHE 302.A N ILE 324.A O no hydrogen 3.021 N/A LYS 306.A N PRO 303.A O no hydrogen 3.159 N/A LYS 306.A NZ PRO 228.A O no hydrogen 3.054 N/A THR 307.A N ASP 310.A OD2 no hydrogen 2.836 N/A THR 307.A OG1 ASP 310.A OD2 no hydrogen 3.546 N/A HIS 308.A NE2 PHE 320.A O no hydrogen 2.836 N/A ASP 310.A N THR 307.A O no hydrogen 2.807 N/A ILE 311.A N HIS 308.A O no hydrogen 3.200 N/A GLU 312.A N GLN 209.A O no hydrogen 2.990 N/A GLN 313.A NE2 GLN 252.A OE1 no hydrogen 3.009 N/A GLN 313.A NE2 CYS 315.A O no hydrogen 2.627 N/A CYS 315.A SG THR 318.A O no hydrogen 3.458 N/A PHE 320.A N GLN 313.A OE1 no hydrogen 2.589 N/A THR 325.A OG1 LYS 306.A O no hydrogen 3.030 N/A ALA 326.A N PHE 302.A O no hydrogen 2.770 N/A ALA 331.A N ALA 304.A O no hydrogen 2.961 N/A SER 332.A OG LYS 230.A O no hydrogen 3.438 N/A VAL 333.A N LYS 230.A O no hydrogen 2.876 N/A ARG 335.A NE SER 189.A O no hydrogen 2.977 N/A ARG 335.A NH2 SER 189.A O no hydrogen 3.570 N/A ARG 335.A NH2 SER 189.A OG no hydrogen 3.137 N/A ILE 336.A N GLY 190.A O no hydrogen 2.901 N/A