Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.223 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.046 N/A MET 5.A N CYS 101.A O no hydrogen 3.214 N/A ARG 6.A N TYR 27.A O no hydrogen 2.836 N/A ARG 6.A NH1 MET 5.A O no hydrogen 3.275 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.932 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.696 N/A TYR 7.A N TYR 99.A O no hydrogen 2.740 N/A PHE 8.A N VAL 25.A O no hydrogen 2.777 N/A TYR 9.A N ARG 97.A O no hydrogen 2.730 N/A THR 10.A N ILE 23.A O no hydrogen 2.834 N/A ALA 11.A N ILE 95.A O no hydrogen 2.876 N/A MET 12.A N ARG 21.A O no hydrogen 2.943 N/A SER 13.A N HIS 93.A O no hydrogen 3.077 N/A SER 13.A OG HIS 93.A O no hydrogen 3.229 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.967 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 2.753 N/A ARG 21.A N MET 12.A O no hydrogen 2.765 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.536 N/A ARG 21.A NE ASP 39.A OD1 no hydrogen 3.087 N/A PHE 22.A N SER 38.A OG no hydrogen 2.767 N/A ILE 23.A N THR 10.A O no hydrogen 2.824 N/A ALA 24.A N PHE 36.A O no hydrogen 3.008 N/A VAL 25.A N PHE 8.A O no hydrogen 3.133 N/A GLY 26.A N VAL 34.A O no hydrogen 3.320 N/A TYR 27.A N ARG 6.A O no hydrogen 2.748 N/A VAL 28.A N THR 31.A O no hydrogen 2.857 N/A ASP 29.A N SER 4.A O no hydrogen 2.829 N/A THR 31.A N VAL 28.A O no hydrogen 3.001 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.828 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.598 N/A PHE 33.A N GLY 26.A O no hydrogen 3.292 N/A ARG 35.A N GLU 46.A O no hydrogen 2.859 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 3.341 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 3.196 N/A PHE 36.A N ALA 24.A O no hydrogen 2.925 N/A SER 38.A N PHE 22.A O no hydrogen 3.386 N/A SER 38.A OG PHE 22.A O no hydrogen 3.296 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.629 N/A GLU 46.A N ARG 35.A O no hydrogen 2.750 N/A ARG 48.A N PHE 33.A O no hydrogen 2.579 N/A ILE 52.A N ALA 49.A O no hydrogen 3.168 N/A GLU 53.A N PRO 50.A O no hydrogen 3.205 N/A GLU 55.A N ILE 52.A O no hydrogen 3.085 N/A TYR 59.A N GLY 56.A O no hydrogen 2.864 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.739 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.193 N/A ASP 61.A N PRO 57.A O no hydrogen 3.051 N/A ARG 62.A N GLU 58.A O no hydrogen 3.053 N/A ASN 63.A N TYR 59.A O no hydrogen 3.068 N/A ASN 63.A ND2 TYR 59.A O no hydrogen 2.656 N/A THR 64.A N TRP 60.A O no hydrogen 2.931 N/A THR 64.A OG1 TRP 60.A O no hydrogen 3.012 N/A ALA 65.A N ASP 61.A O no hydrogen 3.250 N/A ILE 66.A N ARG 62.A O no hydrogen 3.368 N/A PHE 67.A N ASN 63.A O no hydrogen 3.062 N/A LYS 68.A N THR 64.A O no hydrogen 2.822 N/A ALA 69.A N ALA 65.A O no hydrogen 3.112 N/A ASN 70.A N ILE 66.A O no hydrogen 2.970 N/A ASN 70.A ND2 ILE 66.A O no hydrogen 2.645 N/A THR 71.A N PHE 67.A O no hydrogen 2.805 N/A THR 71.A OG1 PHE 67.A O no hydrogen 2.744 N/A GLN 72.A N LYS 68.A O no hydrogen 3.391 N/A THR 73.A N ALA 69.A O no hydrogen 3.186 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.284 N/A TYR 74.A N ASN 70.A O no hydrogen 2.910 N/A ARG 75.A N THR 71.A O no hydrogen 3.172 N/A ARG 75.A NE PRO 20.A O no hydrogen 3.320 N/A ARG 75.A NH2 PRO 20.A O no hydrogen 3.504 N/A GLU 76.A N GLN 72.A O no hydrogen 3.242 N/A SER 77.A N THR 73.A O no hydrogen 2.848 N/A SER 77.A OG THR 73.A O no hydrogen 3.124 N/A LEU 78.A N TYR 74.A O no hydrogen 3.181 N/A ARG 79.A N ARG 75.A O no hydrogen 3.453 N/A ASN 80.A N GLU 76.A O no hydrogen 3.109 N/A LEU 81.A N SER 77.A O no hydrogen 2.815 N/A ARG 82.A N LEU 78.A O no hydrogen 2.747 N/A GLY 83.A N ARG 79.A O no hydrogen 2.981 N/A TYR 84.A N ASN 80.A O no hydrogen 2.733 N/A TYR 85.A N LEU 81.A O no hydrogen 3.401 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.491 N/A ASN 86.A N GLY 83.A O no hydrogen 2.612 N/A GLN 87.A N ARG 82.A O no hydrogen 2.815 N/A SER 92.A OG SER 13.A O no hydrogen 2.704 N/A HIS 93.A N SER 13.A OG no hydrogen 2.812 N/A ILE 94.A N ASP 119.A OD1 no hydrogen 3.199 N/A ILE 95.A N ALA 11.A O no hydrogen 2.894 N/A GLN 96.A N ALA 117.A O no hydrogen 2.923 N/A ARG 97.A N TYR 9.A O no hydrogen 2.857 N/A ARG 97.A NE ASP 114.A OD1 no hydrogen 3.427 N/A ARG 97.A NH2 ASP 114.A OD2 no hydrogen 2.782 N/A MET 98.A N GLN 115.A O no hydrogen 3.110 N/A TYR 99.A N TYR 7.A O no hydrogen 3.070 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.495 N/A GLY 100.A N HIS 113.A O no hydrogen 3.215 N/A CYS 101.A N MET 5.A O no hydrogen 3.111 N/A ASP 102.A N ARG 111.A O no hydrogen 3.172 N/A LEU 103.A N HIS 3.A O no hydrogen 2.758 N/A GLY 104.A N ARG 108.A O no hydrogen 2.652 N/A GLY 107.A N GLY 104.A O no hydrogen 3.243 N/A LEU 110.A N ASP 102.A O no hydrogen 2.801 N/A HIS 113.A N GLY 100.A O no hydrogen 2.829 N/A HIS 113.A NE2 ASP 102.A OD2 no hydrogen 3.103 N/A GLN 115.A N MET 98.A O no hydrogen 3.054 N/A SER 116.A N ILE 124.A O no hydrogen 2.584 N/A ALA 117.A N GLN 96.A O no hydrogen 3.011 N/A TYR 118.A N LYS 121.A O no hydrogen 3.095 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.708 N/A ASP 119.A N ILE 94.A O no hydrogen 2.808 N/A LYS 121.A N TYR 118.A O no hydrogen 3.218 N/A TYR 123.A N SER 116.A O no hydrogen 2.833 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 3.176 N/A ILE 124.A N SER 116.A O no hydrogen 3.233 N/A ALA 125.A N THR 134.A O no hydrogen 3.302 N/A LEU 126.A N ASP 114.A O no hydrogen 2.895 N/A ASN 127.A N SER 132.A O no hydrogen 3.052 N/A ASN 127.A ND2 TRP 133.A O no hydrogen 3.491 N/A LEU 130.A N ASN 127.A O no hydrogen 3.105 N/A SER 131.A N ASP 129.A OD1 no hydrogen 3.033 N/A SER 132.A N ASP 129.A OD1 no hydrogen 3.175 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.031 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.829 N/A THR 134.A N ALA 125.A O no hydrogen 2.818 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.478 N/A ALA 136.A N TYR 123.A O no hydrogen 3.049 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.696 N/A GLN 141.A N ASP 137.A O no hydrogen 2.934 N/A ILE 142.A N ALA 139.A O no hydrogen 3.002 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 3.176 N/A GLN 144.A N ALA 140.A O no hydrogen 3.085 N/A ARG 145.A N GLN 141.A O no hydrogen 3.321 N/A LYS 146.A N ILE 142.A O no hydrogen 3.359 N/A TRP 147.A N THR 143.A O no hydrogen 2.652 N/A GLU 148.A N GLN 144.A O no hydrogen 2.634 N/A ALA 149.A N ARG 145.A O no hydrogen 2.827 N/A ALA 150.A N LYS 146.A O no hydrogen 2.930 N/A VAL 152.A N TRP 147.A O no hydrogen 3.127 N/A GLU 154.A N ARG 151.A O no hydrogen 3.047 N/A ARG 156.A N VAL 152.A O no hydrogen 2.797 N/A ARG 156.A NH1 ASP 114.A OD2 no hydrogen 3.224 N/A ARG 157.A N ALA 153.A O no hydrogen 3.074 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 3.095 N/A ARG 157.A NH2 GLU 161.A OE2 no hydrogen 3.356 N/A ALA 158.A N GLU 154.A O no hydrogen 3.235 N/A TYR 159.A N ALA 155.A O no hydrogen 3.208 N/A LEU 160.A N ARG 156.A O no hydrogen 2.972 N/A GLU 161.A N ARG 157.A O no hydrogen 2.966 N/A GLY 162.A N ALA 158.A O no hydrogen 3.098 N/A CYS 164.A N TYR 159.A O no hydrogen 2.961 N/A GLU 166.A N GLY 162.A O no hydrogen 3.166 N/A TRP 167.A N LEU 163.A O no hydrogen 2.693 N/A LEU 168.A N CYS 164.A O no hydrogen 3.101 N/A ARG 169.A N VAL 165.A O no hydrogen 3.360 N/A ARG 169.A NE GLY 107.A O no hydrogen 3.076 N/A ARG 170.A N GLU 166.A O no hydrogen 3.304 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.995 N/A TYR 171.A N TRP 167.A O no hydrogen 2.903 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.739 N/A LEU 172.A N LEU 168.A O no hydrogen 2.785 N/A GLU 173.A N ARG 169.A O no hydrogen 3.179 N/A ASN 174.A N ARG 170.A O no hydrogen 3.151 N/A GLY 175.A N TYR 171.A O no hydrogen 3.141 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 2.784 N/A THR 178.A N GLY 175.A O no hydrogen 2.962 N/A THR 178.A OG1 GLY 175.A O no hydrogen 2.903 N/A LEU 179.A N GLY 175.A O no hydrogen 3.053 N/A GLN 180.A N LYS 176.A O no hydrogen 2.761 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 3.302 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 2.580 N/A ARG 181.A NH2 ASP 183.A OD1 no hydrogen 3.092 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 2.763 N/A ASP 183.A N TYR 209.A O no hydrogen 2.975 N/A LYS 186.A N LEU 206.A O no hydrogen 2.977 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 3.217 N/A HIS 192.A N THR 200.A O no hydrogen 3.012 N/A VAL 194.A N GLU 198.A O no hydrogen 2.737 N/A SER 195.A N GLU 198.A O no hydrogen 3.007 N/A HIS 197.A ND1 ASP 196.A OD2 no hydrogen 3.242 N/A ALA 199.A N VAL 249.A O no hydrogen 2.918 N/A THR 200.A N HIS 192.A O no hydrogen 2.798 N/A THR 200.A OG1 HIS 192.A O no hydrogen 3.082 N/A LEU 201.A N VAL 247.A O no hydrogen 2.845 N/A ARG 202.A N THR 190.A O no hydrogen 2.762 N/A CYS 203.A N ALA 245.A O no hydrogen 2.774 N/A TRP 204.A N HIS 188.A O no hydrogen 2.896 N/A ALA 205.A N LYS 243.A O no hydrogen 2.916 N/A LEU 206.A N LYS 186.A O no hydrogen 3.302 N/A PHE 208.A N PHE 241.A O no hydrogen 3.130 N/A TYR 209.A N ASP 183.A O no hydrogen 2.943 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.828 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.114 N/A THR 214.A N GLN 262.A O no hydrogen 3.068 N/A THR 216.A N HIS 260.A O no hydrogen 3.283 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.745 N/A GLN 218.A N THR 258.A O no hydrogen 2.999 N/A GLN 218.A NE2 ASP 223.A OD1 no hydrogen 3.296 N/A ARG 219.A NH1 GLU 253.A OE1 no hydrogen 3.362 N/A ARG 219.A NH1 GLU 253.A OE2 no hydrogen 3.015 N/A ARG 219.A NH1 TYR 257.A OH no hydrogen 2.874 N/A ARG 219.A NH2 GLU 253.A OE2 no hydrogen 2.452 N/A GLN 224.A N TRP 217.A O no hydrogen 3.105 N/A THR 228.A N THR 225.A O no hydrogen 3.152 N/A THR 228.A OG1 ALA 246.A O no hydrogen 3.086 N/A GLU 229.A N ALA 246.A O no hydrogen 2.589 N/A VAL 231.A N TRP 244.A O no hydrogen 3.378 N/A ARG 234.A N GLN 242.A O no hydrogen 3.053 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.041 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.172 N/A ALA 236.A N THR 240.A O no hydrogen 3.258 N/A ARG 239.A NH2 ARG 48.A O no hydrogen 3.296 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.333 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.534 N/A PHE 241.A N PHE 208.A O no hydrogen 2.787 N/A GLN 242.A N ARG 234.A O no hydrogen 2.897 N/A LYS 243.A N ALA 205.A O no hydrogen 2.957 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.728 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.159 N/A ALA 245.A N CYS 203.A O no hydrogen 3.033 N/A ALA 246.A N GLU 229.A O no hydrogen 2.756 N/A VAL 247.A N LEU 201.A O no hydrogen 3.204 N/A VAL 249.A N ALA 199.A O no hydrogen 2.844 N/A SER 251.A N HIS 197.A O no hydrogen 3.158 N/A GLY 252.A N PRO 250.A O no hydrogen 2.608 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 3.100 N/A TYR 257.A N GLU 254.A O no hydrogen 2.990 N/A THR 258.A N GLN 218.A O no hydrogen 3.141 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.332 N/A CYS 259.A N LEU 272.A O no hydrogen 2.719 N/A HIS 260.A N THR 216.A O no hydrogen 2.991 N/A VAL 261.A N LEU 270.A O no hydrogen 2.806 N/A GLN 262.A N THR 214.A O no hydrogen 3.133 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.938 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.282 N/A LEU 272.A N CYS 259.A O no hydrogen 2.767 N/A