Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 179.A OD1 no hydrogen 2.760 N/A ASP 6.A N ASP 179.A OD1 no hydrogen 2.957 N/A LYS 8.A N ASP 6.A OD1 no hydrogen 2.929 N/A LYS 8.A NZ GLU 175.A O no hydrogen 2.738 N/A SER 9.A OG ASP 179.A OD2 no hydrogen 2.415 N/A LEU 10.A N ASP 6.A O no hydrogen 2.854 N/A LYS 11.A N THR 7.A O no hydrogen 3.054 N/A LEU 12.A N LYS 8.A O no hydrogen 3.203 N/A LEU 13.A N SER 9.A O no hydrogen 2.772 N/A ALA 14.A N LEU 10.A O no hydrogen 3.051 N/A LEU 15.A N LYS 11.A O no hydrogen 3.070 N/A ALA 16.A N LEU 12.A O no hydrogen 2.870 N/A ASP 17.A N LEU 13.A O no hydrogen 2.792 N/A LYS 18.A N ALA 14.A O no hydrogen 3.051 N/A VAL 19.A N LEU 15.A O no hydrogen 3.021 N/A ALA 20.A N ALA 16.A O no hydrogen 2.938 N/A THR 22.A N VAL 19.A O no hydrogen 2.887 N/A THR 22.A OG1 VAL 19.A O no hydrogen 2.744 N/A ALA 24.A N THR 22.A OG1 no hydrogen 3.236 N/A ASN 25.A ND2 ARG 162.A O no hydrogen 3.038 N/A VAL 26.A N VAL 138.A O no hydrogen 3.039 N/A ILE 28.A N ALA 140.A O no hydrogen 2.768 N/A LEU 29.A N LEU 168.A O no hydrogen 2.708 N/A SER 34.A OG PRO 31.A O no hydrogen 2.681 N/A MET 39.A N GLY 35.A O no hydrogen 3.080 N/A SER 40.A N LYS 36.A O no hydrogen 3.211 N/A SER 40.A OG LYS 36.A O no hydrogen 3.112 N/A ARG 41.A N GLU 37.A O no hydrogen 3.200 N/A TYR 42.A N VAL 38.A O no hydrogen 2.958 N/A TYR 42.A OH ASP 17.A OD1 no hydrogen 2.531 N/A ILE 43.A N MET 39.A O no hydrogen 2.816 N/A HIS 44.A N SER 40.A O no hydrogen 3.099 N/A HIS 44.A ND1 THR 97.A OG1 no hydrogen 3.077 N/A HIS 44.A NE2 GLY 52.A O no hydrogen 2.967 N/A ASN 45.A N ARG 41.A O no hydrogen 3.235 N/A ALA 46.A N TYR 42.A O no hydrogen 3.039 N/A SER 47.A N HIS 44.A O no hydrogen 2.983 N/A SER 47.A OG HIS 44.A O no hydrogen 2.754 N/A ARG 49.A N SER 47.A OG no hydrogen 2.888 N/A ARG 49.A NE GLY 96.A O no hydrogen 2.654 N/A ARG 49.A NH1 ASP 23.A OD1 no hydrogen 3.020 N/A ARG 49.A NH2 GLY 96.A O no hydrogen 3.272 N/A ARG 49.A NH2 ASP 135.A OD2 no hydrogen 3.034 N/A LYS 50.A N SER 47.A O no hydrogen 2.980 N/A GLY 52.A N ARG 49.A O no hydrogen 2.545 N/A ILE 55.A N THR 97.A O no hydrogen 3.070 N/A ILE 57.A N LEU 99.A O no hydrogen 3.022 N/A ASN 58.A ND2 ASP 101.A OD2 no hydrogen 2.725 N/A CYS 59.A N ASP 101.A O no hydrogen 3.028 N/A CYS 59.A SG ILE 57.A O no hydrogen 3.933 N/A CYS 59.A SG ASP 101.A O no hydrogen 3.379 N/A ALA 61.A N ASN 58.A O no hydrogen 3.343 N/A ASN 65.A N ASN 65.A OD1 no hydrogen 2.344 N/A ALA 69.A N MET 66.A O no hydrogen 2.357 N/A LEU 71.A N LEU 67.A O no hydrogen 2.809 N/A PHE 72.A N GLU 68.A O no hydrogen 2.958 N/A GLY 73.A N ALA 69.A O no hydrogen 2.772 N/A TYR 74.A N CYS 86.A O no hydrogen 3.077 N/A GLU 75.A N LEU 126.A O no hydrogen 3.127 N/A GLY 77.A N ALA 82.A O no hydrogen 2.827 N/A ALA 82.A N PHE 79.A O no hydrogen 3.018 N/A CYS 86.A N TYR 74.A O no hydrogen 2.733 N/A CYS 86.A SG PRO 87.A O no hydrogen 3.584 N/A GLY 88.A N GLU 91.A OE1 no hydrogen 2.799 N/A LYS 89.A N LEU 71.A O no hydrogen 3.098 N/A LYS 89.A NZ ALA 56.A O no hydrogen 3.233 N/A GLN 92.A N GLY 88.A O no hydrogen 3.176 N/A GLN 92.A NE2 GLY 88.A O no hydrogen 3.656 N/A ALA 93.A N LYS 89.A O no hydrogen 3.018 N/A ALA 93.A N PHE 90.A O no hydrogen 3.015 N/A GLN 94.A N GLU 91.A O no hydrogen 3.216 N/A GLN 94.A NE2 LYS 133.A O no hydrogen 3.218 N/A GLY 95.A N ASP 135.A O no hydrogen 2.998 N/A GLY 96.A N ALA 93.A O no hydrogen 2.703 N/A THR 97.A N PRO 53.A O no hydrogen 2.954 N/A THR 97.A OG1 HIS 44.A ND1 no hydrogen 3.077 N/A ILE 98.A N ARG 137.A O no hydrogen 2.990 N/A LEU 99.A N ILE 55.A O no hydrogen 2.694 N/A LEU 100.A N LEU 139.A O no hydrogen 2.768 N/A ASP 101.A N ILE 57.A O no hydrogen 3.089 N/A GLU 102.A N THR 141.A OG1 no hydrogen 3.166 N/A ILE 103.A N THR 141.A O no hydrogen 3.225 N/A SER 104.A OG GLU 105.A OE1 no hydrogen 2.956 N/A GLU 105.A N GLU 102.A O no hydrogen 3.024 N/A MET 106.A N ILE 103.A O no hydrogen 3.044 N/A LEU 110.A N ASP 107.A OD1 no hydrogen 2.733 N/A GLN 111.A N ASP 107.A O no hydrogen 2.900 N/A GLN 111.A NE2 MET 106.A O no hydrogen 3.148 N/A GLN 111.A NE2 HIS 154.A O no hydrogen 3.018 N/A ALA 112.A N LEU 108.A O no hydrogen 2.956 N/A LYS 113.A N ASN 109.A O no hydrogen 3.333 N/A LEU 114.A N LEU 110.A O no hydrogen 2.769 N/A LEU 115.A N GLN 111.A O no hydrogen 2.785 N/A ARG 116.A N ALA 112.A O no hydrogen 2.988 N/A VAL 117.A N LYS 113.A O no hydrogen 3.042 N/A LEU 118.A N LEU 114.A O no hydrogen 3.016 N/A GLN 119.A N LEU 115.A O no hydrogen 3.025 N/A GLU 120.A N ARG 116.A O no hydrogen 2.894 N/A ARG 121.A N VAL 117.A O no hydrogen 2.639 N/A VAL 123.A N ILE 132.A O no hydrogen 3.077 N/A ARG 125.A N SER 128.A OG no hydrogen 2.890 N/A ARG 125.A NE GLU 91.A OE1 no hydrogen 2.922 N/A ARG 125.A NE GLU 91.A OE2 no hydrogen 3.215 N/A ARG 125.A NH1 GLU 75.A OE2 no hydrogen 3.396 N/A ARG 125.A NH2 GLU 91.A OE2 no hydrogen 2.520 N/A LEU 126.A N GLY 73.A O no hydrogen 2.979 N/A SER 128.A N ARG 125.A O no hydrogen 2.865 N/A SER 128.A OG ARG 125.A O no hydrogen 2.879 N/A SER 131.A OG GLU 122.A OE2 no hydrogen 3.524 N/A ILE 132.A N VAL 123.A O no hydrogen 2.690 N/A LEU 134.A N ARG 121.A O no hydrogen 2.916 N/A ASP 135.A N GLN 94.A OE1 no hydrogen 2.577 N/A ARG 137.A N GLY 96.A O no hydrogen 3.171 N/A ARG 137.A NE ALA 24.A O no hydrogen 2.807 N/A ARG 137.A NH1 ALA 20.A O no hydrogen 3.254 N/A ARG 137.A NH2 VAL 19.A O no hydrogen 2.686 N/A ARG 137.A NH2 ALA 24.A O no hydrogen 2.973 N/A LEU 139.A N ILE 98.A O no hydrogen 2.945 N/A ALA 140.A N VAL 26.A O no hydrogen 2.944 N/A THR 141.A N LEU 100.A O no hydrogen 3.267 N/A THR 141.A OG1 ASP 101.A OD1 no hydrogen 2.561 N/A SER 142.A N ILE 28.A O no hydrogen 3.424 N/A SER 142.A OG ARG 144.A O no hydrogen 3.100 N/A ASN 143.A N GLU 102.A OE1 no hydrogen 2.826 N/A ARG 144.A NH1 TYR 149.A OH no hydrogen 2.481 N/A LYS 147.A N ASP 145.A OD1 no hydrogen 2.894 N/A GLN 148.A NE2 ASP 145.A OD2 no hydrogen 2.256 N/A TYR 149.A N ASP 145.A O no hydrogen 2.962 N/A VAL 150.A N LEU 146.A O no hydrogen 2.847 N/A GLN 151.A N LYS 147.A O no hydrogen 2.973 N/A ALA 152.A N GLN 148.A O no hydrogen 2.810 N/A ALA 152.A N TYR 149.A O no hydrogen 3.176 N/A GLY 153.A N VAL 150.A O no hydrogen 3.155 N/A HIS 154.A N TYR 149.A O no hydrogen 3.120 N/A ARG 156.A N GLN 111.A OE1 no hydrogen 2.604 N/A ARG 156.A NE ASP 158.A OD1 no hydrogen 2.961 N/A ARG 156.A NH2 ASP 158.A OD2 no hydrogen 2.965 N/A LEU 159.A N ASP 158.A OD1 no hydrogen 2.732 N/A TYR 160.A N ARG 156.A O no hydrogen 3.038 N/A TYR 161.A N GLU 157.A O no hydrogen 3.050 N/A ARG 162.A N ASP 158.A O no hydrogen 3.160 N/A LEU 163.A N LEU 159.A O no hydrogen 2.935 N/A ASN 164.A N TYR 161.A O no hydrogen 3.344 N/A LEU 168.A N MET 27.A O no hydrogen 2.840 N/A TRP 170.A N LEU 29.A O no hydrogen 3.069 N/A TRP 170.A NE1 GLY 35.A O no hydrogen 2.734 N/A LEU 173.A N ASN 218.A OD1 no hydrogen 2.687 N/A GLU 175.A N ALA 172.A O no hydrogen 3.066 N/A ARG 176.A N LEU 173.A O no hydrogen 3.057 N/A ARG 176.A NE PRO 171.A O no hydrogen 2.812 N/A ARG 176.A NH1 ASP 179.A OD2 no hydrogen 2.935 N/A ARG 176.A NH2 PRO 171.A O no hydrogen 3.361 N/A ASP 178.A N ASP 6.A OD2 no hydrogen 3.231 N/A ASP 179.A N ARG 176.A O no hydrogen 2.868 N/A ILE 180.A N LYS 177.A O no hydrogen 3.199 N/A LEU 183.A N ASP 179.A O no hydrogen 2.858 N/A ALA 184.A N ILE 180.A O no hydrogen 2.753 N/A ASN 185.A N GLU 181.A O no hydrogen 3.040 N/A ASN 185.A ND2 GLU 181.A O no hydrogen 3.243 N/A HIS 186.A N PRO 182.A O no hydrogen 2.906 N/A LEU 187.A N LEU 183.A O no hydrogen 2.820 N/A ILE 188.A N ALA 184.A O no hydrogen 3.042 N/A GLU 189.A N ASN 185.A O no hydrogen 2.911 N/A ARG 190.A N HIS 186.A O no hydrogen 2.896 N/A ARG 190.A NH2 ASP 223.A OD2 no hydrogen 3.249 N/A HIS 191.A N LEU 187.A O no hydrogen 2.955 N/A CYS 192.A N ILE 188.A O no hydrogen 2.737 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.449 N/A CYS 192.A SG PRO 198.A O no hydrogen 3.603 N/A LYS 193.A N GLU 189.A O no hydrogen 2.896 N/A LYS 194.A N ARG 190.A O no hydrogen 3.153 N/A LEU 195.A N HIS 191.A O no hydrogen 2.995 N/A GLY 196.A N LYS 193.A O no hydrogen 3.061 N/A LEU 197.A N CYS 192.A O no hydrogen 2.710 N/A SER 201.A N ASN 235.A OD1 no hydrogen 2.459 N/A ALA 203.A N GLY 236.A O no hydrogen 2.999 N/A ALA 206.A N ALA 203.A O no hydrogen 2.969 N/A ILE 207.A N ALA 203.A O no hydrogen 3.106 N/A THR 208.A N PRO 204.A O no hydrogen 3.102 N/A THR 208.A OG1 PRO 204.A O no hydrogen 3.403 N/A LYS 209.A N ASN 205.A O no hydrogen 3.264 N/A LYS 209.A NZ SER 240.A O no hydrogen 3.213 N/A LEU 210.A N ALA 206.A O no hydrogen 3.066 N/A LEU 211.A N ILE 207.A O no hydrogen 2.954 N/A ASN 212.A N THR 208.A O no hydrogen 3.110 N/A TYR 213.A OH GLU 221.A OE2 no hydrogen 2.435 N/A TRP 215.A NE1 LEU 210.A O no hydrogen 2.926 N/A GLY 217.A N GLU 221.A OE1 no hydrogen 2.979 N/A ASN 218.A N TRP 215.A O no hydrogen 2.763 N/A ASN 218.A ND2 SER 32.A O no hydrogen 3.071 N/A VAL 219.A N GLY 33.A O no hydrogen 2.842 N/A ARG 220.A N GLY 33.A O no hydrogen 3.324 N/A GLU 221.A N GLY 217.A O no hydrogen 3.232 N/A LEU 222.A N ASN 218.A O no hydrogen 3.025 N/A ASP 223.A N VAL 219.A O no hydrogen 2.848 N/A ASN 224.A N ARG 220.A O no hydrogen 3.077 N/A VAL 225.A N GLU 221.A O no hydrogen 2.871 N/A VAL 226.A N LEU 222.A O no hydrogen 2.816 N/A GLN 227.A N ASP 223.A O no hydrogen 2.813 N/A GLN 227.A NE2 ASP 223.A OD1 no hydrogen 3.074 N/A ARG 228.A N ASN 224.A O no hydrogen 2.957 N/A ARG 228.A NH1 ASN 224.A OD1 no hydrogen 3.073 N/A ARG 228.A NH2 GLU 241.A O no hydrogen 2.863 N/A ALA 229.A N VAL 225.A O no hydrogen 2.812 N/A LEU 230.A N VAL 226.A O no hydrogen 3.132 N/A ILE 231.A N GLN 227.A O no hydrogen 3.234 N/A LEU 232.A N ARG 228.A O no hydrogen 3.032 N/A SER 233.A N ALA 229.A O no hydrogen 2.691 N/A SER 233.A OG LEU 230.A O no hydrogen 3.561 N/A SER 233.A OG GLU 234.A OE1 no hydrogen 2.478 N/A GLY 236.A N SER 201.A O no hydrogen 3.017 N/A HIS 237.A N GLN 239.A OE1 no hydrogen 2.882 N/A GLN 239.A NE2 LEU 232.A O no hydrogen 3.637 N/A