Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nq2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 1.A O no hydrogen 2.977 N/A SER 5.A OG ASP 1.A O no hydrogen 3.557 N/A SER 5.A OG LEU 2.A O no hydrogen 3.498 N/A SER 6.A N LEU 2.A O no hydrogen 3.022 N/A SER 6.A OG LEU 2.A O no hydrogen 2.619 N/A LEU 7.A N LYS 3.A O no hydrogen 3.178 N/A ARG 8.A N ALA 4.A O no hydrogen 3.152 N/A ARG 8.A NH1 ASP 218.A OD1 no hydrogen 3.148 N/A ARG 8.A NH1 ASP 218.A OD2 no hydrogen 3.139 N/A ALA 9.A N SER 5.A O no hydrogen 2.766 N/A LEU 10.A N SER 6.A O no hydrogen 2.921 N/A LYS 11.A N LEU 7.A O no hydrogen 3.190 N/A LYS 11.A NZ THR 40.A O no hydrogen 3.022 N/A LEU 12.A N ALA 9.A O no hydrogen 2.978 N/A MET 13.A N LEU 10.A O no hydrogen 3.169 N/A HIS 14.A N PHE 233.A O no hydrogen 2.716 N/A LEU 15.A N ALA 43.A O no hydrogen 2.831 N/A ALA 16.A N ALA 235.A O no hydrogen 3.228 N/A THR 17.A OG1 ASP 21.A OD2 no hydrogen 3.002 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.196 N/A LYS 26.A NZ ASP 20.A O no hydrogen 3.051 N/A VAL 27.A N THR 23.A O no hydrogen 3.007 N/A ILE 28.A N ASP 24.A O no hydrogen 2.709 N/A ALA 29.A N GLU 25.A O no hydrogen 2.996 N/A LEU 30.A N LYS 26.A O no hydrogen 2.906 N/A CYS 31.A N VAL 27.A O no hydrogen 2.970 N/A CYS 31.A SG VAL 27.A O no hydrogen 3.459 N/A CYS 31.A SG ALA 54.A O no hydrogen 3.735 N/A HIS 32.A N ILE 28.A O no hydrogen 3.136 N/A HIS 32.A ND1 GLN 61.A OE1 no hydrogen 2.755 N/A GLN 33.A N ALA 29.A O no hydrogen 2.973 N/A ALA 34.A N LEU 30.A O no hydrogen 3.106 N/A ALA 34.A N CYS 31.A O no hydrogen 3.143 N/A LYS 35.A N HIS 32.A O no hydrogen 3.272 N/A LYS 35.A NZ GLN 61.A O no hydrogen 2.497 N/A THR 36.A N GLY 39.A O no hydrogen 2.975 N/A THR 36.A OG1 GLY 39.A O no hydrogen 2.753 N/A VAL 38.A N THR 36.A OG1 no hydrogen 3.191 N/A GLY 39.A N THR 36.A O no hydrogen 3.293 N/A THR 40.A OG1 THR 41.A O no hydrogen 3.465 N/A THR 41.A N ALA 34.A O no hydrogen 3.032 N/A THR 41.A OG1 ALA 43.A O no hydrogen 2.946 N/A ALA 43.A N MET 13.A O no hydrogen 3.017 N/A ILE 44.A N ARG 67.A O no hydrogen 3.063 N/A PHE 45.A N LEU 15.A O no hydrogen 2.833 N/A ILE 46.A N TRP 69.A O no hydrogen 3.007 N/A TYR 47.A OH ASP 20.A OD1 no hydrogen 2.613 N/A PHE 50.A N TYR 47.A O no hydrogen 3.130 N/A ILE 51.A N PRO 48.A O no hydrogen 3.066 N/A ALA 54.A N PHE 50.A O no hydrogen 2.996 N/A ARG 55.A N ILE 51.A O no hydrogen 2.817 N/A ARG 55.A NH1 ASP 97.A OD2 no hydrogen 2.930 N/A ARG 55.A NH2 GLY 95.A O no hydrogen 2.667 N/A ARG 55.A NH2 ASP 97.A OD1 no hydrogen 3.363 N/A ARG 55.A NH2 ASP 97.A OD2 no hydrogen 3.024 N/A LYS 56.A N PRO 52.A O no hydrogen 3.118 N/A THR 57.A N ILE 53.A O no hydrogen 2.895 N/A THR 57.A OG1 ILE 53.A O no hydrogen 2.687 N/A LEU 58.A N ALA 54.A O no hydrogen 2.856 N/A LYS 59.A N ARG 55.A O no hydrogen 2.929 N/A GLU 60.A N LYS 56.A O no hydrogen 2.880 N/A GLN 61.A N THR 57.A O no hydrogen 3.175 N/A GLN 61.A NE2 CYS 31.A O no hydrogen 3.017 N/A GLN 61.A NE2 THR 63.A OG1 no hydrogen 2.825 N/A GLY 62.A N LYS 59.A O no hydrogen 3.013 N/A THR 63.A N LEU 58.A O no hydrogen 2.989 N/A THR 63.A OG1 LEU 58.A O no hydrogen 3.305 N/A ILE 66.A N THR 63.A O no hydrogen 3.394 N/A ARG 67.A N ASP 42.A O no hydrogen 2.987 N/A ARG 67.A NH1 ASP 42.A OD2 no hydrogen 2.855 N/A ILE 68.A N ASP 97.A OD2 no hydrogen 2.661 N/A TRP 69.A N ILE 44.A O no hydrogen 2.941 N/A THR 70.A N GLY 98.A O no hydrogen 2.963 N/A THR 70.A OG1 ILE 46.A O no hydrogen 2.608 N/A SER 71.A N THR 70.A OG1 no hydrogen 2.888 N/A THR 72.A N ALA 100.A O no hydrogen 3.001 N/A THR 72.A OG1 THR 88.A OG1 no hydrogen 3.077 N/A ASN 73.A N GLU 87.A OE1 no hydrogen 2.694 N/A ASN 73.A ND2 ASN 78.A O no hydrogen 2.845 N/A ASN 73.A ND2 VAL 102.A O no hydrogen 2.946 N/A GLY 77.A N ASN 73.A O no hydrogen 2.932 N/A ILE 83.A N ASP 80.A OD1 no hydrogen 3.073 N/A ALA 84.A N ASP 80.A O no hydrogen 3.144 N/A LEU 85.A N ILE 81.A O no hydrogen 2.816 N/A ALA 86.A N ASP 82.A O no hydrogen 2.925 N/A GLU 87.A N ILE 83.A O no hydrogen 2.976 N/A THR 88.A N ALA 84.A O no hydrogen 2.955 N/A THR 88.A OG1 THR 72.A OG1 no hydrogen 3.077 N/A THR 88.A OG1 ALA 84.A O no hydrogen 2.693 N/A ARG 89.A N LEU 85.A O no hydrogen 2.819 N/A ALA 90.A N ALA 86.A O no hydrogen 2.894 N/A ALA 91.A N GLU 87.A O no hydrogen 2.872 N/A ILE 92.A N THR 88.A O no hydrogen 3.070 N/A ALA 93.A N ARG 89.A O no hydrogen 3.065 N/A TYR 94.A N ALA 90.A O no hydrogen 2.894 N/A GLY 95.A N ILE 92.A O no hydrogen 3.005 N/A ALA 96.A N ALA 91.A O no hydrogen 3.119 N/A ASP 97.A N ILE 68.A O no hydrogen 2.693 N/A GLY 98.A N ILE 68.A O no hydrogen 3.155 N/A VAL 99.A N LEU 133.A O no hydrogen 2.819 N/A ALA 100.A N THR 70.A O no hydrogen 2.809 N/A VAL 101.A N SER 135.A O no hydrogen 2.927 N/A VAL 102.A N THR 72.A O no hydrogen 3.100 N/A PHE 103.A N ILE 137.A O no hydrogen 2.818 N/A ARG 106.A NH1 HIS 76.A O no hydrogen 2.712 N/A ARG 106.A NH2 ASN 78.A OD1 no hydrogen 2.757 N/A LEU 108.A N PRO 104.A O no hydrogen 3.227 N/A MET 109.A N TYR 105.A O no hydrogen 2.868 N/A ALA 110.A N ARG 106.A O no hydrogen 2.969 N/A GLY 111.A N LEU 108.A O no hydrogen 2.886 N/A ASN 112.A N ALA 107.A O no hydrogen 2.864 N/A VAL 115.A N ASN 112.A OD1 no hydrogen 3.017 N/A PHE 117.A N GLU 113.A O no hydrogen 3.482 N/A ASP 118.A N GLN 114.A O no hydrogen 2.906 N/A LEU 119.A N VAL 115.A O no hydrogen 2.717 N/A VAL 120.A N GLY 116.A O no hydrogen 3.013 N/A LYS 121.A N PHE 117.A O no hydrogen 2.918 N/A ALA 122.A N ASP 118.A O no hydrogen 2.964 N/A CYS 123.A N LEU 119.A O no hydrogen 3.177 N/A CYS 123.A SG THR 88.A OG1 no hydrogen 3.298 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.585 N/A LYS 124.A N VAL 120.A O no hydrogen 2.782 N/A LYS 124.A NZ GLY 160.A O no hydrogen 2.618 N/A LYS 124.A NZ ASP 162.A OD1 no hydrogen 3.035 N/A GLU 125.A N LYS 121.A O no hydrogen 3.117 N/A ALA 126.A N ALA 122.A O no hydrogen 3.417 N/A CYS 127.A N CYS 123.A O no hydrogen 2.988 N/A CYS 127.A SG CYS 123.A O no hydrogen 3.410 N/A ALA 128.A N LYS 124.A O no hydrogen 2.836 N/A ALA 129.A N GLU 125.A O no hydrogen 3.344 N/A ALA 130.A N CYS 127.A O no hydrogen 2.972 N/A ASN 131.A N ALA 128.A O no hydrogen 3.099 N/A VAL 132.A N CYS 127.A O no hydrogen 2.835 N/A LEU 133.A N ASP 97.A O no hydrogen 3.130 N/A LEU 134.A N ASP 162.A OD2 no hydrogen 2.719 N/A SER 135.A N VAL 99.A O no hydrogen 2.805 N/A SER 135.A OG.B HIS 163.A ND1 no hydrogen 2.758 N/A VAL 136.A N HIS 163.A O no hydrogen 2.852 N/A ILE 137.A N VAL 101.A O no hydrogen 2.925 N/A ILE 138.A N VAL 165.A O no hydrogen 2.991 N/A THR 140.A N THR 166.A O no hydrogen 2.850 N/A THR 140.A OG1 THR 166.A O no hydrogen 3.347 N/A GLU 142.A N GLU 139.A O no hydrogen 2.974 N/A LEU 143.A N GLU 139.A O no hydrogen 2.972 N/A LYS 144.A N THR 140.A O no hydrogen 2.831 N/A LYS 144.A NZ GLU 142.A O no hydrogen 2.905 N/A ASP 145.A N LEU 143.A O no hydrogen 2.597 N/A ALA 147.A N ASP 145.A OD1 no hydrogen 3.345 N/A LEU 148.A N ASP 145.A OD2 no hydrogen 3.210 N/A ILE 149.A N ASP 145.A O no hydrogen 2.920 N/A ARG 150.A N GLU 146.A O no hydrogen 2.825 N/A ARG 150.A NH2 GLU 185.A OE1 no hydrogen 3.063 N/A LYS 151.A N ALA 147.A O no hydrogen 2.891 N/A LYS 151.A NZ GLU 154.A OE1 no hydrogen 3.410 N/A LYS 151.A NZ GLU 154.A OE2 no hydrogen 3.390 N/A ALA 152.A N LEU 148.A O no hydrogen 2.747 N/A SER 153.A N ILE 149.A O no hydrogen 3.079 N/A SER 153.A OG ILE 149.A O no hydrogen 2.761 N/A GLU 154.A N ARG 150.A O no hydrogen 2.892 N/A ILE 155.A N LYS 151.A O no hydrogen 2.955 N/A SER 156.A N ALA 152.A O no hydrogen 3.075 N/A SER 156.A OG ALA 152.A O no hydrogen 2.796 N/A ILE 157.A N SER 153.A O no hydrogen 3.043 N/A LYS 158.A N GLU 154.A O no hydrogen 2.992 N/A LYS 158.A NZ GLU 154.A OE1 no hydrogen 2.813 N/A ALA 159.A N ILE 155.A O no hydrogen 2.844 N/A GLY 160.A N ILE 157.A O no hydrogen 2.930 N/A ALA 161.A N SER 156.A O no hydrogen 2.904 N/A ASP 162.A N LEU 134.A O no hydrogen 2.778 N/A HIS 163.A N LEU 134.A O no hydrogen 3.399 N/A HIS 163.A ND1 SER 135.A OG.B no hydrogen 2.758 N/A ILE 164.A N GLY 197.A O no hydrogen 2.974 N/A VAL 165.A N VAL 136.A O no hydrogen 2.737 N/A THR 166.A N ILE 199.A O no hydrogen 3.130 N/A THR 166.A OG1 SER 167.A OG no hydrogen 3.019 N/A THR 166.A OG1 VAL 201.A O no hydrogen 3.376 N/A SER 167.A OG THR 166.A OG1 no hydrogen 3.019 N/A SER 167.A OG VAL 201.A O no hydrogen 3.532 N/A THR 168.A N GLU 139.A OE1 no hydrogen 2.998 N/A THR 168.A OG1 GLU 139.A OE1 no hydrogen 3.428 N/A THR 168.A OG1 GLU 139.A OE2 no hydrogen 2.641 N/A LYS 170.A N THR 168.A OG1 no hydrogen 2.948 N/A LYS 170.A NZ ASP 20.A OD1 no hydrogen 3.309 N/A ALA 175.A N VAL 201.A O no hydrogen 2.816 N/A THR 176.A N SER 179.A OG.A no hydrogen 3.145 N/A THR 176.A OG1 SER 179.A OG.B no hydrogen 3.093 N/A SER 179.A N THR 176.A OG1 no hydrogen 2.973 N/A SER 179.A OG.A THR 176.A O no hydrogen 3.406 N/A SER 179.A OG.B THR 176.A OG1 no hydrogen 3.093 N/A ALA 180.A N THR 176.A O no hydrogen 2.835 N/A ARG 181.A N PRO 177.A O no hydrogen 2.892 N/A ILE 182.A N GLU 178.A O no hydrogen 3.060 N/A MET 183.A N SER 179.A O no hydrogen 3.113 N/A MET 184.A N ALA 180.A O no hydrogen 3.065 N/A GLU 185.A N ARG 181.A O no hydrogen 2.919 N/A VAL 186.A N ILE 182.A O no hydrogen 3.167 N/A ILE 187.A N MET 183.A O no hydrogen 3.293 N/A ARG 188.A N MET 184.A O no hydrogen 2.953 N/A ARG 188.A NE ASP 189.A OD1 no hydrogen 2.868 N/A ARG 188.A NH2 ASP 189.A OD1 no hydrogen 3.351 N/A ASP 189.A N GLU 185.A O no hydrogen 2.604 N/A MET 190.A N VAL 186.A O no hydrogen 2.829 N/A GLY 191.A N ARG 188.A O no hydrogen 2.946 N/A VAL 192.A N ILE 187.A O no hydrogen 3.016 N/A THR 195.A N VAL 192.A O no hydrogen 3.004 N/A THR 195.A OG1 VAL 192.A O no hydrogen 3.213 N/A VAL 196.A N VAL 192.A O no hydrogen 2.843 N/A GLY 197.A N ASP 162.A O no hydrogen 2.915 N/A PHE 198.A N HIS 230.A O no hydrogen 2.840 N/A ILE 199.A N ILE 164.A O no hydrogen 3.057 N/A VAL 201.A N THR 166.A OG1 no hydrogen 2.883 N/A GLY 202.A N GLY 234.A O no hydrogen 3.112 N/A ARG 205.A N ASP 209.A OD2 no hydrogen 3.020 N/A THR 206.A N ASP 209.A OD2 no hydrogen 3.089 N/A ALA 207.A N SER 241.A OG no hydrogen 2.983 N/A GLU 208.A N GLU 208.A OE2 no hydrogen 2.819 N/A ASP 209.A N THR 206.A OG1 no hydrogen 2.974 N/A ALA 210.A N THR 206.A O no hydrogen 3.136 N/A GLN 211.A N ALA 207.A O no hydrogen 3.135 N/A LYS 212.A N GLU 208.A O no hydrogen 3.158 N/A LYS 212.A NZ GLU 208.A O no hydrogen 3.007 N/A TYR 213.A N ASP 209.A O no hydrogen 3.003 N/A LEU 214.A N ALA 210.A O no hydrogen 2.929 N/A ALA 215.A N GLN 211.A O no hydrogen 2.832 N/A ILE 216.A N LYS 212.A O no hydrogen 3.300 N/A ASP 218.A N LEU 214.A O no hydrogen 2.952 N/A GLU 219.A N ALA 215.A O no hydrogen 2.860 N/A LEU 220.A N ILE 216.A O no hydrogen 3.077 N/A PHE 221.A N ALA 217.A O no hydrogen 2.850 N/A GLY 222.A N ASP 218.A O no hydrogen 2.902 N/A TRP 225.A N GLY 222.A O no hydrogen 3.267 N/A TRP 225.A NE1 GLU 193.A O no hydrogen 2.798 N/A ASP 227.A N TRP 225.A O no hydrogen 2.739 N/A ARG 229.A NH1 ASP 162.A O no hydrogen 3.007 N/A ARG 229.A NH1 ARG 229.A O no hydrogen 2.848 N/A ARG 229.A NH2 THR 195.A O no hydrogen 2.857 N/A HIS 230.A N ASP 227.A O no hydrogen 3.000 N/A HIS 230.A N ASP 227.A OD1 no hydrogen 3.057 N/A HIS 230.A ND1 ASP 227.A OD1 no hydrogen 2.781 N/A HIS 230.A NE2 LYS 194.A O no hydrogen 2.608 N/A ALA 232.A N PHE 198.A O no hydrogen 3.264 N/A PHE 233.A N LEU 12.A O no hydrogen 3.373 N/A GLY 234.A N PRO 200.A O no hydrogen 2.979 N/A ALA 235.A N HIS 14.A O no hydrogen 3.424 N/A LEU 242.A N LEU 238.A O no hydrogen 3.080 N/A LEU 243.A N LEU 239.A O no hydrogen 2.974 N/A LYS 244.A N ALA 240.A O no hydrogen 2.983 N/A ALA 245.A N SER 241.A O no hydrogen 2.905 N/A LEU 246.A N LEU 242.A O no hydrogen 2.999 N/A