Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ARG 277.A O no hydrogen 3.393 N/A ARG 3.A N GLY 280.A O no hydrogen 2.911 N/A ARG 3.A NH1 GLU 74.A OE1 no hydrogen 2.538 N/A ARG 3.A NH2 LEU 279.A O no hydrogen 2.675 N/A ARG 5.A N VAL 282.A O no hydrogen 2.576 N/A ARG 5.A NH2 TYR 283.A OH no hydrogen 3.442 N/A LYS 6.A NZ GLU 15.A OE1 no hydrogen 3.510 N/A LYS 6.A NZ GLU 15.A OE2 no hydrogen 2.919 N/A ASN 7.A N ASP 284.A OD2 no hydrogen 3.213 N/A VAL 8.A N TYR 88.A O no hydrogen 2.881 N/A LEU 9.A N ASN 7.A OD1 no hydrogen 2.880 N/A HIS 10.A N ASN 7.A O no hydrogen 3.062 N/A LEU 11.A N VAL 8.A O no hydrogen 3.385 N/A THR 12.A N GLU 15.A OE1 no hydrogen 2.872 N/A THR 12.A OG1 GLU 15.A OE1 no hydrogen 3.423 N/A GLU 15.A N THR 12.A OG1 no hydrogen 2.905 N/A LYS 16.A N THR 12.A O no hydrogen 2.825 N/A ARG 17.A N ASP 13.A O no hydrogen 3.125 N/A ARG 17.A N THR 14.A O no hydrogen 3.190 N/A ASP 18.A N THR 14.A O no hydrogen 2.701 N/A PHE 19.A N GLU 15.A O no hydrogen 3.125 N/A VAL 20.A N LYS 16.A O no hydrogen 3.461 N/A ARG 21.A N ARG 17.A O no hydrogen 3.147 N/A THR 22.A N ASP 18.A O no hydrogen 3.056 N/A THR 22.A OG1 ASP 18.A O no hydrogen 2.621 N/A VAL 23.A N PHE 19.A O no hydrogen 2.843 N/A LEU 24.A N VAL 20.A O no hydrogen 3.081 N/A ILE 25.A N ARG 21.A O no hydrogen 2.896 N/A LEU 26.A N THR 22.A O no hydrogen 2.842 N/A LYS 27.A N VAL 23.A O no hydrogen 2.991 N/A LYS 27.A NZ THR 134.A O no hydrogen 3.224 N/A GLU 28.A N LEU 24.A O no hydrogen 2.781 N/A LYS 29.A N ILE 25.A O no hydrogen 2.954 N/A GLY 30.A N LEU 26.A O no hydrogen 3.372 N/A ILE 31.A N LEU 26.A O no hydrogen 3.095 N/A TYR 32.A N LEU 26.A O no hydrogen 3.113 N/A TYR 32.A OH PRO 219.A O no hydrogen 2.605 N/A TYR 35.A N TYR 32.A O no hydrogen 2.973 N/A TYR 35.A OH ASP 76.A OD1 no hydrogen 3.093 N/A ILE 36.A N TYR 32.A O no hydrogen 3.340 N/A ALA 37.A N ASP 33.A O no hydrogen 3.182 N/A TRP 38.A N ARG 34.A O no hydrogen 3.033 N/A HIS 39.A N TYR 35.A O no hydrogen 3.161 N/A HIS 39.A N ILE 36.A O no hydrogen 3.205 N/A HIS 39.A NE2 HIS 57.A NE2 no hydrogen 3.113 N/A GLY 40.A N ILE 36.A O no hydrogen 3.067 N/A ALA 41.A N ALA 37.A O no hydrogen 2.755 N/A ALA 42.A N TRP 38.A O no hydrogen 3.045 N/A GLY 43.A N HIS 39.A O no hydrogen 3.166 N/A GLY 43.A N GLY 40.A O no hydrogen 3.215 N/A LYS 44.A N GLY 40.A O no hydrogen 3.284 N/A LYS 44.A N ALA 41.A O no hydrogen 3.115 N/A PHE 45.A N ALA 42.A O no hydrogen 3.031 N/A HIS 46.A ND1 ARG 53.A O no hydrogen 2.789 N/A THR 47.A N ARG 53.A O no hydrogen 3.214 N/A THR 47.A OG1 THR 47.A O no hydrogen 2.558 N/A THR 47.A OG1 GLN 257.A OE1 no hydrogen 2.780 N/A ARG 53.A NE PRO 178.A O no hydrogen 3.354 N/A ARG 53.A NE TRP 179.A O no hydrogen 3.217 N/A ARG 53.A NH1 THR 47.A O no hydrogen 3.262 N/A ARG 53.A NH2 PRO 178.A O no hydrogen 3.028 N/A ASN 54.A N HIS 57.A O no hydrogen 3.279 N/A ASN 54.A ND2 HIS 57.A ND1 no hydrogen 3.093 N/A ALA 55.A N ALA 42.A O no hydrogen 3.196 N/A MET 58.A N GLU 192.A OE1 no hydrogen 2.708 N/A SER 59.A OG TRP 179.A O no hydrogen 2.620 N/A SER 60.A OG ASP 175.A OD2 no hydrogen 2.570 N/A SER 60.A OG GLN 248.A O no hydrogen 3.200 N/A PHE 62.A N SER 59.A O no hydrogen 2.976 N/A TRP 65.A N ALA 61.A O no hydrogen 2.762 N/A TRP 65.A NE1 TYR 264.A O no hydrogen 2.746 N/A HIS 66.A N PHE 62.A O no hydrogen 3.421 N/A HIS 66.A ND1 PHE 62.A O no hydrogen 2.732 N/A ARG 67.A N LEU 63.A O no hydrogen 3.198 N/A ARG 67.A NE ASP 232.A OD1 no hydrogen 3.532 N/A ARG 67.A NE ASP 232.A OD2 no hydrogen 2.591 N/A ARG 67.A NH1 GLN 239.A OE1 no hydrogen 2.974 N/A ARG 67.A NH1 VAL 273.A O no hydrogen 3.162 N/A ARG 67.A NH2 ASP 232.A OD2 no hydrogen 2.835 N/A ARG 67.A NH2 GLN 239.A OE1 no hydrogen 3.341 N/A GLU 68.A N PRO 64.A O no hydrogen 3.231 N/A GLU 68.A N TRP 65.A O no hydrogen 2.966 N/A TYR 69.A N TRP 65.A O no hydrogen 2.855 N/A TYR 69.A OH TYR 35.A O no hydrogen 2.848 N/A LEU 70.A N HIS 66.A O no hydrogen 2.819 N/A LEU 71.A N ARG 67.A O no hydrogen 2.962 N/A ARG 72.A N GLU 68.A O no hydrogen 3.115 N/A ARG 72.A NH2 GLU 68.A OE2 no hydrogen 2.782 N/A ARG 72.A NH2 THR 268.A OG1 no hydrogen 3.395 N/A PHE 73.A N TYR 69.A O no hydrogen 3.131 N/A GLU 74.A N LEU 70.A O no hydrogen 2.674 N/A ARG 75.A N LEU 71.A O no hydrogen 3.026 N/A ASP 76.A N ARG 72.A O no hydrogen 3.058 N/A LEU 77.A N PHE 73.A O no hydrogen 2.847 N/A GLN 78.A N GLU 74.A O no hydrogen 2.808 N/A GLN 78.A NE2 PRO 82.A O no hydrogen 2.625 N/A SER 79.A N ARG 75.A O no hydrogen 3.129 N/A SER 79.A OG ARG 75.A O no hydrogen 3.257 N/A SER 79.A OG ASP 76.A O no hydrogen 2.960 N/A ILE 80.A N ASP 76.A O no hydrogen 3.444 N/A ASN 81.A N LEU 77.A O no hydrogen 2.866 N/A VAL 84.A N ASN 81.A O no hydrogen 3.131 N/A THR 85.A OG1 VAL 4.A O no hydrogen 2.824 N/A LEU 86.A N GLU 74.A OE2 no hydrogen 2.739 N/A TYR 88.A N LYS 6.A O no hydrogen 2.883 N/A TYR 88.A OH ASP 284.A OD1 no hydrogen 2.505 N/A TRP 89.A N LEU 226.A O no hydrogen 3.143 N/A TRP 89.A NE1 ASP 94.A OD1 no hydrogen 2.626 N/A TRP 91.A N TRP 89.A O no hydrogen 2.893 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.970 N/A THR 93.A N GLU 90.A O no hydrogen 3.052 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.641 N/A ALA 95.A N TRP 91.A O no hydrogen 3.234 N/A GLN 96.A N THR 93.A O no hydrogen 3.029 N/A MET 97.A N ASP 94.A O no hydrogen 2.979 N/A SER 101.A N ASP 99.A OD2 no hydrogen 2.983 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.731 N/A SER 101.A OG ASP 99.A OD2 no hydrogen 2.520 N/A GLN 102.A N ASP 99.A O no hydrogen 2.675 N/A SER 103.A N PRO 100.A O no hydrogen 2.896 N/A SER 103.A OG ASP 94.A OD1 no hydrogen 3.060 N/A TRP 106.A N SER 103.A O no hydrogen 3.080 N/A SER 107.A N GLN 104.A O no hydrogen 3.153 N/A SER 107.A OG ASP 109.A OD1 no hydrogen 3.064 N/A ASP 109.A N SER 107.A OG no hydrogen 3.312 N/A PHE 110.A N SER 107.A O no hydrogen 3.318 N/A MET 111.A N ILE 105.A O no hydrogen 3.356 N/A GLY 112.A N SER 107.A O no hydrogen 2.813 N/A GLY 113.A N THR 125.A OG1 no hydrogen 2.759 N/A ASN 116.A ND2 ASP 124.A OD2 no hydrogen 3.346 N/A ILE 118.A N ASN 116.A OD1 no hydrogen 3.182 N/A LYS 119.A N ASN 116.A O no hydrogen 2.674 N/A PHE 121.A N ASN 116.A O no hydrogen 3.323 N/A ILE 122.A N LYS 119.A O no hydrogen 3.185 N/A VAL 123.A N LEU 146.A O no hydrogen 3.073 N/A ALA 129.A N GLY 126.A O no hydrogen 3.322 N/A ALA 130.A N VAL 123.A O no hydrogen 2.823 N/A ARG 132.A N ALA 129.A O no hydrogen 2.968 N/A ARG 132.A NE GLY 126.A O no hydrogen 3.373 N/A ARG 132.A NH2 GLY 126.A O no hydrogen 2.890 N/A TRP 133.A NE1 ASN 220.A O no hydrogen 3.059 N/A THR 135.A OG1 SER 143.A OG no hydrogen 2.266 N/A ILE 136.A N ASN 220.A OD1 no hydrogen 3.202 N/A ASP 137.A N ASN 141.A O no hydrogen 2.721 N/A GLN 139.A N ASP 137.A OD2 no hydrogen 2.959 N/A SER 143.A N THR 135.A O no hydrogen 2.724 N/A GLY 145.A N THR 135.A OG1 no hydrogen 2.987 N/A LYS 147.A N GLN 211.A OE1 no hydrogen 2.965 N/A ARG 148.A N PHE 121.A O no hydrogen 3.047 N/A ARG 148.A NE ASP 221.A OD2 no hydrogen 3.137 N/A ARG 148.A NH1 MET 111.A O no hydrogen 3.345 N/A ARG 148.A NH1 GLY 113.A O no hydrogen 3.226 N/A ARG 148.A NH2 ASP 221.A OD1 no hydrogen 2.919 N/A ARG 148.A NH2 ASP 221.A OD2 no hydrogen 3.323 N/A ASN 149.A N VAL 208.A O no hydrogen 2.712 N/A GLY 151.A N TRP 207.A O no hydrogen 2.485 N/A ALA 156.A N THR 153.A OG1 no hydrogen 2.993 N/A THR 158.A OG1 LEU 159.A O no hydrogen 2.629 N/A THR 161.A N ASP 164.A OD2 no hydrogen 3.167 N/A THR 161.A OG1 ASP 164.A OD2 no hydrogen 3.075 N/A ASP 164.A N THR 161.A OG1 no hydrogen 3.156 N/A VAL 165.A N THR 161.A O no hydrogen 3.116 N/A LEU 166.A N ARG 162.A O no hydrogen 2.870 N/A ASN 167.A N ASP 163.A O no hydrogen 3.080 N/A ASN 167.A N ASP 164.A O no hydrogen 3.313 N/A ALA 168.A N ASP 164.A O no hydrogen 3.483 N/A LEU 169.A N VAL 165.A O no hydrogen 3.009 N/A LYS 170.A N ASN 167.A O no hydrogen 2.865 N/A LYS 170.A NZ ASN 167.A O no hydrogen 2.866 N/A LYS 170.A NZ ASN 167.A OD1 no hydrogen 3.426 N/A ILE 171.A N ALA 168.A O no hydrogen 2.637 N/A TYR 174.A OH SER 60.A O no hydrogen 2.923 N/A THR 176.A N ASP 175.A OD1 no hydrogen 2.738 N/A THR 176.A OG1 PRO 177.A O no hydrogen 3.525 N/A THR 176.A OG1 GLN 184.A O no hydrogen 2.771 N/A TRP 179.A N THR 176.A O no hydrogen 2.758 N/A ASP 180.A N SER 183.A OG no hydrogen 3.269 N/A THR 182.A N ASP 180.A OD2 no hydrogen 3.281 N/A THR 182.A OG1 ASP 180.A OD2 no hydrogen 2.724 N/A SER 183.A N ASP 180.A O no hydrogen 2.960 N/A SER 183.A OG ASP 175.A OD1 no hydrogen 3.344 N/A SER 183.A OG THR 176.A O no hydrogen 2.448 N/A SER 186.A OG ASP 175.A OD1 no hydrogen 3.170 N/A PHE 187.A N GLN 173.A O no hydrogen 2.823 N/A ARG 188.A N TYR 174.A O no hydrogen 2.812 N/A ARG 188.A NE ASP 175.A OD2 no hydrogen 2.662 N/A ARG 188.A NH1 ASN 189.A OD1 no hydrogen 2.988 N/A ARG 188.A NH1 GLU 192.A OE2 no hydrogen 3.030 N/A ARG 188.A NH2 ASP 175.A OD1 no hydrogen 3.398 N/A ARG 188.A NH2 ASP 175.A OD2 no hydrogen 3.256 N/A ARG 188.A NH2 ASP 180.A O no hydrogen 2.998 N/A ASN 189.A N SER 186.A OG no hydrogen 3.085 N/A ASN 189.A ND2 MET 181.A O no hydrogen 2.866 N/A ASN 189.A ND2 SER 183.A O no hydrogen 3.330 N/A GLN 190.A N SER 186.A O no hydrogen 3.060 N/A LEU 191.A N PHE 187.A O no hydrogen 2.769 N/A GLU 192.A N ARG 188.A O no hydrogen 2.891 N/A GLY 193.A N ASN 189.A O no hydrogen 3.066 N/A PHE 194.A N ASN 189.A O no hydrogen 3.120 N/A GLN 199.A N GLY 193.A O no hydrogen 2.906 N/A HIS 201.A N LEU 191.A O no hydrogen 3.046 N/A HIS 201.A ND1 GLU 192.A O no hydrogen 3.153 N/A ASN 202.A N GLU 192.A O no hydrogen 2.872 N/A ARG 203.A N GLN 199.A O no hydrogen 3.206 N/A ARG 203.A NH1 THR 158.A O no hydrogen 2.961 N/A ARG 203.A NH2 PRO 198.A O no hydrogen 3.431 N/A VAL 204.A N LEU 200.A O no hydrogen 3.020 N/A HIS 205.A N HIS 201.A O no hydrogen 3.187 N/A HIS 205.A ND1 MET 212.A O no hydrogen 2.699 N/A HIS 205.A NE2 HIS 228.A NE2 no hydrogen 3.343 N/A HIS 206.A N ASN 202.A O no hydrogen 2.762 N/A TRP 207.A N ARG 203.A O no hydrogen 2.672 N/A VAL 208.A N VAL 204.A O no hydrogen 3.226 N/A GLY 209.A N HIS 205.A O no hydrogen 3.334 N/A GLN 211.A N GLN 211.A OE1 no hydrogen 2.810 N/A GLN 211.A NE2 GLY 145.A O no hydrogen 3.192 N/A GLY 213.A N GLY 210.A O no hydrogen 2.937 N/A VAL 214.A N GLN 211.A O no hydrogen 2.822 N/A THR 217.A N VAL 214.A O no hydrogen 2.991 N/A THR 217.A OG1 GLN 211.A O no hydrogen 3.139 N/A ALA 218.A N VAL 214.A O no hydrogen 2.840 N/A ASN 220.A N THR 217.A O no hydrogen 2.894 N/A ASN 220.A ND2 ILE 136.A O no hydrogen 3.376 N/A ASN 220.A ND2 THR 217.A O no hydrogen 2.911 N/A ASP 221.A N ALA 218.A O no hydrogen 2.899 N/A VAL 223.A N ASP 221.A OD1 no hydrogen 2.952 N/A PHE 224.A N ASP 221.A O no hydrogen 2.754 N/A PHE 225.A N PRO 222.A O no hydrogen 3.171 N/A HIS 227.A N VAL 223.A O no hydrogen 2.866 N/A HIS 228.A N PHE 224.A O no hydrogen 3.070 N/A ALA 229.A N PHE 225.A O no hydrogen 3.151 N/A ASN 230.A ND2 GLU 92.A OE1 no hydrogen 3.125 N/A VAL 231.A N HIS 227.A O no hydrogen 3.188 N/A ASP 232.A N HIS 228.A O no hydrogen 2.699 N/A ARG 233.A N ALA 229.A O no hydrogen 2.659 N/A ARG 233.A NE ASN 230.A OD1 no hydrogen 3.361 N/A ARG 233.A NH2 GLU 92.A OE2 no hydrogen 3.371 N/A ARG 233.A NH2 ASN 230.A OD1 no hydrogen 2.720 N/A ILE 234.A N ASN 230.A O no hydrogen 2.816 N/A TRP 235.A N VAL 231.A O no hydrogen 2.885 N/A ALA 236.A N ASP 232.A O no hydrogen 2.741 N/A VAL 237.A N ARG 233.A O no hydrogen 3.060 N/A TRP 238.A N ILE 234.A O no hydrogen 2.993 N/A TRP 238.A NE1 ILE 171.A O no hydrogen 2.772 N/A GLN 239.A N TRP 235.A O no hydrogen 2.989 N/A GLN 239.A NE2 MET 274.A O no hydrogen 3.038 N/A ILE 240.A N ALA 236.A O no hydrogen 3.335 N/A ILE 241.A N VAL 237.A O no hydrogen 3.068 N/A HIS 242.A N TRP 238.A O no hydrogen 2.800 N/A GLN 245.A N HIS 242.A O no hydrogen 3.445 N/A TYR 247.A N ASN 246.A OD1 no hydrogen 2.678 N/A TYR 247.A OH GLN 257.A O no hydrogen 2.781 N/A GLY 256.A N ASP 261.A OD2 no hydrogen 3.068 N/A GLN 257.A N PRO 254.A O no hydrogen 2.707 N/A ASN 258.A N ASP 261.A OD2 no hydrogen 2.991 N/A PHE 259.A N PRO 249.A O no hydrogen 2.961 N/A ASP 261.A N ASN 258.A O no hydrogen 3.019 N/A TRP 266.A N MET 263.A O no hydrogen 2.477 N/A THR 269.A N ASP 272.A OD2 no hydrogen 2.991 N/A GLU 271.A N PHE 259.A O no hydrogen 2.929 N/A ASP 272.A N THR 269.A O no hydrogen 2.887 N/A VAL 273.A N PRO 270.A O no hydrogen 2.992 N/A HIS 276.A ND1 TYR 281.A O no hydrogen 3.068 N/A LYS 278.A N ASN 275.A O no hydrogen 3.265 N/A GLY 280.A N HIS 276.A O no hydrogen 3.142 N/A GLY 280.A N ARG 277.A O no hydrogen 2.993 N/A TYR 281.A N HIS 276.A O no hydrogen 3.531 N/A TYR 281.A OH ASP 232.A OD1 no hydrogen 2.715 N/A VAL 282.A N ARG 3.A O no hydrogen 2.704 N/A TYR 283.A OH ALA 229.A O no hydrogen 3.142 N/A TYR 283.A OH ASP 232.A OD1 no hydrogen 2.728 N/A ASP 284.A N ARG 5.A O no hydrogen 2.783 N/A