Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nq0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ARG 277.A O no hydrogen 3.336 N/A TYR 2.A N GLY 280.A O no hydrogen 3.192 N/A ARG 3.A N GLY 280.A O no hydrogen 3.088 N/A ARG 3.A NE GLY 280.A O no hydrogen 3.598 N/A ARG 3.A NH1 GLN 78.A OE1 no hydrogen 3.302 N/A ARG 5.A N VAL 282.A O no hydrogen 2.954 N/A ARG 5.A NH1 GLU 74.A OE1 no hydrogen 2.956 N/A ARG 5.A NH1 GLU 74.A OE2 no hydrogen 3.121 N/A ARG 5.A NH2 TYR 283.A OH no hydrogen 3.126 N/A LYS 6.A NZ GLU 15.A OE2 no hydrogen 3.114 N/A VAL 8.A N TYR 88.A O no hydrogen 3.064 N/A LEU 9.A N ASN 7.A OD1 no hydrogen 2.801 N/A HIS 10.A N ASN 7.A O no hydrogen 2.935 N/A LEU 11.A N VAL 8.A O no hydrogen 3.140 N/A THR 12.A N GLU 15.A OE1 no hydrogen 2.932 N/A THR 14.A OG1 ASP 18.A OD2 no hydrogen 3.505 N/A GLU 15.A N THR 12.A O no hydrogen 2.542 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.212 N/A LYS 16.A N THR 12.A O no hydrogen 3.025 N/A ARG 17.A N ASP 13.A O no hydrogen 2.962 N/A ASP 18.A N THR 14.A O no hydrogen 2.961 N/A PHE 19.A N GLU 15.A O no hydrogen 2.982 N/A VAL 20.A N LYS 16.A O no hydrogen 3.116 N/A ARG 21.A N ARG 17.A O no hydrogen 2.956 N/A THR 22.A N ASP 18.A O no hydrogen 3.049 N/A THR 22.A OG1 ASP 18.A O no hydrogen 2.732 N/A VAL 23.A N PHE 19.A O no hydrogen 2.980 N/A LEU 24.A N VAL 20.A O no hydrogen 2.997 N/A ILE 25.A N ARG 21.A O no hydrogen 3.044 N/A ILE 25.A N THR 22.A O no hydrogen 3.154 N/A LEU 26.A N THR 22.A O no hydrogen 2.778 N/A LYS 27.A N VAL 23.A O no hydrogen 2.851 N/A LYS 27.A NZ THR 134.A O no hydrogen 2.832 N/A GLU 28.A N LEU 24.A O no hydrogen 2.880 N/A LYS 29.A N ILE 25.A O no hydrogen 2.971 N/A GLY 30.A N LYS 27.A O no hydrogen 3.096 N/A TYR 32.A N LEU 26.A O no hydrogen 2.876 N/A TYR 32.A OH PRO 219.A O no hydrogen 2.656 N/A ARG 34.A N ILE 31.A O no hydrogen 2.894 N/A TYR 35.A N TYR 32.A O no hydrogen 2.890 N/A TYR 35.A OH ASP 76.A OD1 no hydrogen 2.698 N/A ILE 36.A N TYR 32.A O no hydrogen 3.426 N/A ALA 37.A N ASP 33.A O no hydrogen 3.055 N/A TRP 38.A N ARG 34.A O no hydrogen 2.856 N/A HIS 39.A N TYR 35.A O no hydrogen 3.345 N/A HIS 39.A NE2 HIS 57.A NE2 no hydrogen 3.039 N/A GLY 40.A N ILE 36.A O no hydrogen 3.126 N/A ALA 41.A N ALA 37.A O no hydrogen 2.700 N/A ALA 42.A N TRP 38.A O no hydrogen 2.902 N/A GLY 43.A N HIS 39.A O no hydrogen 3.292 N/A LYS 44.A N ALA 41.A O no hydrogen 3.138 N/A PHE 45.A N ALA 42.A O no hydrogen 2.894 N/A THR 47.A N ARG 53.A O no hydrogen 2.894 N/A THR 47.A OG1 THR 47.A O no hydrogen 2.586 N/A THR 47.A OG1 GLN 257.A OE1 no hydrogen 3.093 N/A SER 51.A N PRO 48.A O no hydrogen 2.986 N/A ARG 53.A N SER 51.A OG no hydrogen 2.985 N/A ARG 53.A NE TRP 179.A O no hydrogen 2.871 N/A ARG 53.A NH1 THR 47.A O no hydrogen 3.408 N/A ARG 53.A NH2 PRO 178.A O no hydrogen 2.969 N/A ASN 54.A N HIS 57.A O no hydrogen 3.331 N/A ASN 54.A ND2 HIS 57.A ND1 no hydrogen 3.009 N/A ALA 55.A N PHE 45.A O no hydrogen 2.865 N/A HIS 57.A NE2 HIS 39.A NE2 no hydrogen 3.039 N/A MET 58.A N GLU 192.A OE1 no hydrogen 2.469 N/A SER 59.A OG TRP 179.A O no hydrogen 2.895 N/A SER 60.A OG ASP 175.A OD2 no hydrogen 2.701 N/A SER 60.A OG GLN 248.A O no hydrogen 3.323 N/A PHE 62.A N SER 59.A O no hydrogen 3.097 N/A TRP 65.A N ALA 61.A O no hydrogen 2.756 N/A TRP 65.A NE1 TYR 264.A O no hydrogen 2.649 N/A HIS 66.A N PHE 62.A O no hydrogen 3.162 N/A HIS 66.A ND1 PHE 62.A O no hydrogen 2.814 N/A ARG 67.A N LEU 63.A O no hydrogen 2.970 N/A ARG 67.A NE ASP 232.A OD2 no hydrogen 2.570 N/A ARG 67.A NH1 GLN 239.A OE1 no hydrogen 2.816 N/A ARG 67.A NH1 VAL 273.A O no hydrogen 3.312 N/A ARG 67.A NH2 ASP 232.A O no hydrogen 3.469 N/A ARG 67.A NH2 ASP 232.A OD2 no hydrogen 3.180 N/A ARG 67.A NH2 GLN 239.A OE1 no hydrogen 3.318 N/A GLU 68.A N PRO 64.A O no hydrogen 2.998 N/A TYR 69.A N TRP 65.A O no hydrogen 3.077 N/A TYR 69.A OH TYR 35.A O no hydrogen 2.553 N/A LEU 70.A N HIS 66.A O no hydrogen 2.822 N/A LEU 71.A N ARG 67.A O no hydrogen 2.895 N/A ARG 72.A N GLU 68.A O no hydrogen 2.982 N/A ARG 72.A NH2 GLU 68.A OE2 no hydrogen 2.510 N/A PHE 73.A N TYR 69.A O no hydrogen 3.141 N/A GLU 74.A N LEU 70.A O no hydrogen 2.876 N/A ARG 75.A N LEU 71.A O no hydrogen 2.984 N/A ASP 76.A N ARG 72.A O no hydrogen 3.038 N/A LEU 77.A N PHE 73.A O no hydrogen 2.922 N/A GLN 78.A N GLU 74.A O no hydrogen 2.764 N/A GLN 78.A NE2 PRO 82.A O no hydrogen 2.734 N/A SER 79.A N ARG 75.A O no hydrogen 2.813 N/A SER 79.A OG ARG 75.A O no hydrogen 3.027 N/A ILE 80.A N LEU 77.A O no hydrogen 2.863 N/A ASN 81.A N LEU 77.A O no hydrogen 2.959 N/A VAL 84.A N ASN 81.A O no hydrogen 2.826 N/A THR 85.A OG1 VAL 4.A O no hydrogen 2.945 N/A LEU 86.A N GLU 74.A OE2 no hydrogen 3.079 N/A TYR 88.A N LYS 6.A O no hydrogen 2.799 N/A TRP 89.A N LEU 226.A O no hydrogen 2.992 N/A TRP 89.A NE1 ASP 94.A OD1 no hydrogen 2.899 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.784 N/A THR 93.A N GLU 90.A O no hydrogen 2.980 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.746 N/A THR 93.A OG1 GLU 90.A OE1 no hydrogen 3.543 N/A THR 93.A OG1 ASP 94.A OD2 no hydrogen 3.482 N/A ALA 95.A N TRP 91.A O no hydrogen 2.899 N/A GLN 96.A N THR 93.A O no hydrogen 2.948 N/A MET 97.A N ASP 94.A O no hydrogen 2.742 N/A SER 101.A N ASP 99.A OD2 no hydrogen 3.241 N/A SER 101.A OG ASP 99.A OD2 no hydrogen 2.384 N/A GLN 102.A N ASP 99.A O no hydrogen 2.830 N/A SER 103.A N PRO 100.A O no hydrogen 2.969 N/A SER 103.A OG ASP 94.A OD1 no hydrogen 2.742 N/A ILE 105.A N SER 103.A OG no hydrogen 3.232 N/A TRP 106.A N SER 103.A O no hydrogen 2.957 N/A SER 107.A N GLN 104.A O no hydrogen 3.076 N/A SER 107.A OG GLN 104.A O no hydrogen 3.202 N/A SER 107.A OG ASP 109.A OD1 no hydrogen 2.530 N/A PHE 110.A N SER 107.A O no hydrogen 2.896 N/A GLY 112.A N SER 107.A O no hydrogen 3.283 N/A GLY 113.A N THR 125.A OG1 no hydrogen 2.744 N/A ASN 116.A N ILE 122.A O no hydrogen 2.805 N/A LYS 119.A N ASN 116.A O no hydrogen 2.805 N/A PHE 121.A N ASN 116.A O no hydrogen 2.820 N/A ILE 122.A N LYS 119.A O no hydrogen 3.171 N/A VAL 123.A N LEU 146.A O no hydrogen 3.206 N/A ALA 129.A N GLY 126.A O no hydrogen 3.267 N/A ALA 130.A N VAL 123.A O no hydrogen 3.083 N/A ARG 132.A N ALA 129.A O no hydrogen 3.063 N/A ARG 132.A NH2 GLY 126.A O no hydrogen 2.814 N/A TRP 133.A NE1 ASN 220.A O no hydrogen 2.866 N/A THR 135.A OG1 SER 143.A OG no hydrogen 2.608 N/A ILE 136.A N ASN 220.A OD1 no hydrogen 3.083 N/A ASP 137.A N ASN 141.A O no hydrogen 2.612 N/A GLY 140.A N ASP 137.A O no hydrogen 2.782 N/A ASN 141.A N ASP 137.A OD2 no hydrogen 2.725 N/A SER 143.A N THR 135.A O no hydrogen 2.689 N/A SER 143.A OG THR 135.A OG1 no hydrogen 2.608 N/A GLY 145.A N THR 135.A OG1 no hydrogen 2.815 N/A LYS 147.A N GLN 211.A OE1 no hydrogen 2.830 N/A LYS 147.A NZ ASP 120.A O no hydrogen 3.436 N/A ARG 148.A N PHE 121.A O no hydrogen 3.187 N/A ARG 148.A NE ASP 221.A OD2 no hydrogen 2.838 N/A ARG 148.A NH1 MET 111.A O no hydrogen 2.890 N/A ARG 148.A NH1 GLY 113.A O no hydrogen 2.865 N/A ARG 148.A NH2 MET 111.A O no hydrogen 2.956 N/A ARG 148.A NH2 ASP 221.A OD1 no hydrogen 2.830 N/A ARG 148.A NH2 ASP 221.A OD2 no hydrogen 3.378 N/A ASN 149.A N VAL 208.A O no hydrogen 2.989 N/A GLY 151.A N TRP 207.A O no hydrogen 2.727 N/A ALA 156.A N THR 153.A OG1 no hydrogen 2.841 N/A THR 158.A OG1 LEU 159.A O no hydrogen 2.879 N/A THR 161.A N ASP 164.A OD2 no hydrogen 2.822 N/A ASP 164.A N THR 161.A OG1 no hydrogen 3.202 N/A VAL 165.A N THR 161.A O no hydrogen 3.217 N/A LEU 166.A N ARG 162.A O no hydrogen 2.632 N/A ASN 167.A N ASP 163.A O no hydrogen 2.567 N/A ALA 168.A N ASP 164.A O no hydrogen 3.106 N/A LEU 169.A N VAL 165.A O no hydrogen 3.099 N/A LYS 170.A N ASN 167.A O no hydrogen 3.296 N/A LYS 170.A NZ ASN 167.A OD1 no hydrogen 3.234 N/A ILE 171.A N ALA 168.A O no hydrogen 2.908 N/A TYR 174.A OH SER 60.A O no hydrogen 2.561 N/A THR 176.A N ASP 175.A OD1 no hydrogen 2.956 N/A THR 176.A OG1 GLN 184.A O no hydrogen 2.651 N/A TRP 179.A N THR 176.A O no hydrogen 2.901 N/A ASP 180.A N SER 183.A OG no hydrogen 2.897 N/A THR 182.A N ASP 180.A OD2 no hydrogen 2.677 N/A THR 182.A OG1 ASP 180.A OD2 no hydrogen 2.683 N/A SER 183.A N ASP 180.A O no hydrogen 3.071 N/A SER 183.A OG THR 176.A O no hydrogen 2.675 N/A SER 183.A OG ASP 180.A O no hydrogen 3.156 N/A SER 186.A OG TYR 174.A O no hydrogen 3.488 N/A SER 186.A OG ASP 175.A OD1 no hydrogen 2.577 N/A PHE 187.A N GLN 173.A O no hydrogen 3.008 N/A ARG 188.A N TYR 174.A O no hydrogen 2.831 N/A ARG 188.A NE ASP 175.A OD2 no hydrogen 2.715 N/A ARG 188.A NH1 ASN 189.A OD1 no hydrogen 2.857 N/A ARG 188.A NH1 GLU 192.A OE2 no hydrogen 2.895 N/A ARG 188.A NH2 ASP 175.A OD1 no hydrogen 3.189 N/A ARG 188.A NH2 ASP 175.A OD2 no hydrogen 3.262 N/A ARG 188.A NH2 ASP 180.A O no hydrogen 2.713 N/A ASN 189.A N SER 186.A OG no hydrogen 2.947 N/A ASN 189.A ND2 MET 181.A O no hydrogen 2.955 N/A ASN 189.A ND2 SER 183.A O no hydrogen 2.909 N/A GLN 190.A N SER 186.A O no hydrogen 2.788 N/A LEU 191.A N PHE 187.A O no hydrogen 2.916 N/A GLU 192.A N ARG 188.A O no hydrogen 2.814 N/A GLY 193.A N ASN 189.A O no hydrogen 2.905 N/A PHE 194.A N ASN 189.A O no hydrogen 3.272 N/A GLY 197.A N PHE 194.A O no hydrogen 3.184 N/A GLN 199.A N GLY 193.A O no hydrogen 3.100 N/A HIS 201.A N LEU 191.A O no hydrogen 3.165 N/A ASN 202.A N GLU 192.A O no hydrogen 3.014 N/A ASN 202.A ND2 HIS 201.A ND1 no hydrogen 2.711 N/A ARG 203.A N GLN 199.A O no hydrogen 3.248 N/A ARG 203.A NE PRO 198.A O no hydrogen 3.188 N/A ARG 203.A NH1 THR 158.A O no hydrogen 2.332 N/A VAL 204.A N LEU 200.A O no hydrogen 2.814 N/A VAL 204.A N HIS 201.A O no hydrogen 2.818 N/A HIS 205.A N HIS 201.A O no hydrogen 3.232 N/A HIS 205.A ND1 MET 212.A O no hydrogen 2.962 N/A ARG 206.A N ASN 202.A O no hydrogen 3.049 N/A ARG 206.A NH2 GLY 213.A O no hydrogen 3.322 N/A TRP 207.A N ARG 203.A O no hydrogen 2.839 N/A VAL 208.A N VAL 204.A O no hydrogen 3.076 N/A GLY 209.A N HIS 205.A O no hydrogen 3.206 N/A GLN 211.A N GLN 211.A OE1 no hydrogen 2.900 N/A GLN 211.A NE2 GLY 145.A O no hydrogen 3.123 N/A GLY 213.A N GLY 210.A O no hydrogen 2.801 N/A VAL 214.A N GLN 211.A O no hydrogen 3.228 N/A THR 217.A N VAL 214.A O no hydrogen 3.066 N/A THR 217.A OG1 GLN 211.A O no hydrogen 3.288 N/A THR 217.A OG1 VAL 214.A O no hydrogen 3.424 N/A ALA 218.A N VAL 215.A O no hydrogen 3.063 N/A ASN 220.A N THR 217.A O no hydrogen 3.191 N/A ASN 220.A ND2 ILE 136.A O no hydrogen 3.226 N/A ASN 220.A ND2 THR 217.A O no hydrogen 3.032 N/A ASP 221.A N ALA 218.A O no hydrogen 3.015 N/A VAL 223.A N ASP 221.A OD1 no hydrogen 3.068 N/A PHE 224.A N ASP 221.A O no hydrogen 2.969 N/A PHE 225.A N PRO 222.A O no hydrogen 3.024 N/A HIS 227.A N VAL 223.A O no hydrogen 2.699 N/A HIS 228.A N PHE 224.A O no hydrogen 2.902 N/A ALA 229.A N PHE 225.A O no hydrogen 3.034 N/A ASN 230.A N LEU 226.A O no hydrogen 3.254 N/A ASN 230.A ND2 GLU 92.A OE1 no hydrogen 3.145 N/A VAL 231.A N HIS 227.A O no hydrogen 3.033 N/A ASP 232.A N HIS 228.A O no hydrogen 2.763 N/A ARG 233.A N ALA 229.A O no hydrogen 2.844 N/A ARG 233.A NE ASN 230.A OD1 no hydrogen 3.122 N/A ARG 233.A NH2 GLU 92.A OE2 no hydrogen 2.859 N/A ARG 233.A NH2 ASN 230.A OD1 no hydrogen 2.580 N/A ILE 234.A N ASN 230.A O no hydrogen 2.931 N/A TRP 235.A N VAL 231.A O no hydrogen 3.105 N/A ALA 236.A N ASP 232.A O no hydrogen 2.879 N/A VAL 237.A N ARG 233.A O no hydrogen 2.984 N/A TRP 238.A N ILE 234.A O no hydrogen 3.117 N/A TRP 238.A NE1 ILE 171.A O no hydrogen 2.756 N/A GLN 239.A N TRP 235.A O no hydrogen 2.940 N/A GLN 239.A NE2 MET 274.A O no hydrogen 2.677 N/A ILE 240.A N ALA 236.A O no hydrogen 3.052 N/A ILE 241.A N VAL 237.A O no hydrogen 3.023 N/A HIS 242.A N TRP 238.A O no hydrogen 2.742 N/A HIS 242.A NE2 LEU 169.A O no hydrogen 2.818 N/A TYR 247.A N ASN 246.A OD1 no hydrogen 2.690 N/A TYR 247.A OH GLN 257.A O no hydrogen 2.811 N/A GLY 256.A N ASP 261.A OD2 no hydrogen 3.039 N/A GLN 257.A N PRO 254.A O no hydrogen 2.950 N/A ASN 258.A N ASP 261.A OD2 no hydrogen 3.080 N/A PHE 259.A N PRO 249.A O no hydrogen 3.055 N/A ARG 260.A NH1 GLU 271.A OE1 no hydrogen 2.597 N/A ASP 261.A N ASN 258.A O no hydrogen 3.065 N/A MET 263.A N THR 268.A O no hydrogen 2.686 N/A TRP 266.A N MET 263.A O no hydrogen 2.625 N/A THR 269.A N ASP 272.A OD2 no hydrogen 2.776 N/A GLU 271.A N PHE 259.A O no hydrogen 2.900 N/A ASP 272.A N THR 269.A OG1 no hydrogen 3.360 N/A VAL 273.A N PRO 270.A O no hydrogen 2.953 N/A MET 274.A N GLU 271.A O no hydrogen 3.121 N/A LEU 279.A N HIS 276.A O no hydrogen 3.086 N/A GLY 280.A N ARG 277.A O no hydrogen 2.850 N/A TYR 281.A OH ASP 232.A OD1 no hydrogen 2.700 N/A VAL 282.A N ARG 3.A O no hydrogen 2.935 N/A TYR 283.A OH ASP 232.A OD1 no hydrogen 2.450 N/A