Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uqf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD1 no hydrogen 2.745 N/A GLU 4.A N ASP 1.A O no hydrogen 3.208 N/A ILE 5.A N VAL 71.A O no hydrogen 3.159 N/A ARG 7.A NH1 PRO 76.A O no hydrogen 2.817 N/A ARG 7.A NH2 GLU 74.A O no hydrogen 2.764 N/A ARG 7.A NH2 PRO 76.A O no hydrogen 3.337 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 3.064 N/A SER 9.A N PRO 6.A O no hydrogen 3.207 N/A SER 9.A OG PRO 6.A O no hydrogen 2.710 N/A LEU 10.A N ARG 7.A O no hydrogen 3.431 N/A ARG 11.A N THR 28.A O no hydrogen 3.057 N/A GLU 13.A N MET 26.A O no hydrogen 2.922 N/A VAL 14.A N MET 26.A O no hydrogen 3.240 N/A LYS 15.A NZ GLU 23.A OE2 no hydrogen 3.243 N/A LEU 16.A N VAL 24.A O no hydrogen 2.724 N/A GLU 23.A N THR 39.A O no hydrogen 3.231 N/A GLU 23.A N THR 39.A OG1 no hydrogen 3.296 N/A VAL 24.A N GLY 17.A O no hydrogen 2.943 N/A TRP 25.A N ILE 37.A O no hydrogen 2.772 N/A TRP 25.A NE1 GLU 23.A OE1 no hydrogen 2.843 N/A MET 26.A N VAL 14.A O no hydrogen 2.847 N/A GLY 27.A N VAL 35.A O no hydrogen 2.859 N/A THR 28.A N ARG 11.A O no hydrogen 3.031 N/A THR 28.A OG1 GLU 13.A OE1 no hydrogen 2.549 N/A TRP 29.A N THR 33.A O no hydrogen 2.921 N/A ASN 30.A N SER 9.A O no hydrogen 2.906 N/A THR 32.A N TRP 29.A O no hydrogen 3.263 N/A THR 32.A OG1 TRP 29.A O no hydrogen 3.532 N/A THR 32.A OG1 THR 33.A OG1 no hydrogen 2.951 N/A THR 33.A N TRP 29.A O no hydrogen 3.134 N/A THR 33.A OG1 TRP 29.A O no hydrogen 3.450 N/A THR 33.A OG1 THR 32.A OG1 no hydrogen 2.951 N/A ARG 34.A NH1 GLU 13.A OE2 no hydrogen 2.779 N/A ARG 34.A NH1 GLY 27.A O no hydrogen 3.469 N/A VAL 35.A N GLY 27.A O no hydrogen 2.917 N/A ALA 36.A N THR 81.A O no hydrogen 3.020 N/A ILE 37.A N TRP 25.A O no hydrogen 2.747 N/A LYS 38.A N ILE 79.A O no hydrogen 2.770 N/A THR 39.A N GLU 23.A O no hydrogen 2.949 N/A LEU 40.A N ILE 77.A O no hydrogen 3.253 N/A LYS 41.A N PHE 21.A O no hydrogen 3.070 N/A THR 44.A N LYS 41.A O no hydrogen 2.873 N/A PHE 50.A N SER 46.A O no hydrogen 3.230 N/A LEU 51.A N PRO 47.A O no hydrogen 3.397 N/A GLN 55.A N LEU 51.A O no hydrogen 2.988 N/A VAL 56.A N GLN 52.A O no hydrogen 3.311 N/A LYS 58.A N ALA 54.A O no hydrogen 3.040 N/A LYS 58.A N GLN 55.A O no hydrogen 3.280 N/A LYS 58.A NZ ASP 1.A OD2 no hydrogen 2.954 N/A LYS 58.A NZ GLN 55.A OE1 no hydrogen 2.907 N/A LEU 60.A N VAL 56.A O no hydrogen 3.298 N/A ARG 61.A N TYR 119.A OH no hydrogen 2.887 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 3.088 N/A LYS 64.A NZ GLN 112.A OE1 no hydrogen 2.950 N/A LEU 65.A N HIS 62.A O no hydrogen 3.069 N/A VAL 66.A N VAL 145.A O no hydrogen 2.905 N/A GLN 67.A N GLU 82.A OE1 no hydrogen 2.801 N/A GLN 67.A NE2 LEU 68.A O no hydrogen 3.222 N/A TYR 69.A N VAL 80.A O no hydrogen 2.723 N/A ALA 70.A N VAL 80.A O no hydrogen 3.149 N/A VAL 71.A N TRP 3.A O no hydrogen 3.015 N/A VAL 72.A N TYR 78.A O no hydrogen 2.877 N/A SER 73.A N GLU 4.A OE2 no hydrogen 2.731 N/A SER 73.A OG GLU 4.A OE2 no hydrogen 2.513 N/A TYR 78.A N VAL 72.A O no hydrogen 3.137 N/A ILE 79.A N LYS 38.A O no hydrogen 2.702 N/A VAL 80.A N ALA 70.A O no hydrogen 2.843 N/A THR 81.A N ALA 36.A O no hydrogen 2.936 N/A THR 81.A OG1 GLU 82.A O no hydrogen 2.986 N/A GLU 82.A N GLN 67.A O no hydrogen 3.008 N/A SER 85.A OG GLU 139.A OE2 no hydrogen 2.540 N/A LYS 86.A N VAL 137.A O no hydrogen 2.819 N/A GLY 87.A N MET 84.A O no hydrogen 3.226 N/A LEU 89.A N ILE 135.A O no hydrogen 2.835 N/A ASP 91.A N SER 88.A OG no hydrogen 3.054 N/A PHE 92.A N SER 88.A O no hydrogen 2.991 N/A LEU 93.A N LEU 89.A O no hydrogen 2.798 N/A LYS 94.A N LEU 90.A O no hydrogen 3.087 N/A GLY 95.A N ASP 91.A O no hydrogen 2.800 N/A GLY 98.A N GLY 95.A O no hydrogen 3.184 N/A TYR 100.A N MET 97.A O no hydrogen 2.874 N/A LEU 101.A N GLY 98.A O no hydrogen 3.341 N/A ARG 102.A N GLN 105.A OE1 no hydrogen 2.918 N/A ARG 102.A NH1 LYS 99.A O no hydrogen 2.983 N/A ARG 102.A NH1 LEU 101.A O no hydrogen 2.768 N/A ARG 102.A NH2 LYS 99.A O no hydrogen 3.497 N/A LEU 103.A N LEU 260.A OXT no hydrogen 3.077 N/A LEU 106.A N ARG 102.A O no hydrogen 3.079 N/A VAL 107.A N LEU 103.A O no hydrogen 2.881 N/A ASP 108.A N PRO 104.A O no hydrogen 3.247 N/A MET 109.A N GLN 105.A O no hydrogen 2.927 N/A ALA 110.A N LEU 106.A O no hydrogen 2.919 N/A ALA 111.A N VAL 107.A O no hydrogen 2.835 N/A GLN 112.A N ASP 108.A O no hydrogen 3.242 N/A GLN 112.A NE2 ASP 108.A O no hydrogen 3.388 N/A GLN 112.A NE2 ASP 108.A OD2 no hydrogen 2.841 N/A GLN 112.A NE2 LEU 141.A O no hydrogen 3.270 N/A ILE 113.A N MET 109.A O no hydrogen 3.148 N/A ALA 114.A N ALA 110.A O no hydrogen 2.942 N/A SER 115.A N ALA 111.A O no hydrogen 2.856 N/A GLY 116.A N GLN 112.A O no hydrogen 2.954 N/A MET 117.A N ILE 113.A O no hydrogen 2.973 N/A ALA 118.A N ALA 114.A O no hydrogen 2.766 N/A TYR 119.A N SER 115.A O no hydrogen 3.105 N/A VAL 120.A N GLY 116.A O no hydrogen 3.035 N/A GLU 121.A N MET 117.A O no hydrogen 2.881 N/A ARG 122.A N ALA 118.A O no hydrogen 2.961 N/A MET 123.A N TYR 119.A O no hydrogen 3.009 N/A ASN 124.A N GLU 121.A O no hydrogen 3.085 N/A TYR 125.A N VAL 120.A O no hydrogen 3.040 N/A HIS 127.A N ASP 171.A OD2 no hydrogen 2.724 N/A HIS 127.A NE2 ALA 146.A O no hydrogen 2.881 N/A ARG 128.A N ASP 171.A OD1 no hydrogen 2.962 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.083 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.754 N/A ARG 131.A NH2 ASP 129.A OD1 no hydrogen 3.355 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 3.110 N/A ALA 132.A N GLU 181.A OE2 no hydrogen 2.861 N/A ASN 134.A N ARG 131.A O no hydrogen 2.862 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.603 N/A ILE 135.A N ALA 132.A O no hydrogen 3.111 N/A LEU 136.A N LYS 144.A O no hydrogen 2.905 N/A VAL 137.A N GLY 87.A O no hydrogen 2.882 N/A GLY 138.A N VAL 142.A O no hydrogen 2.782 N/A VAL 142.A N GLU 139.A O no hydrogen 3.123 N/A CYS 143.A N GLN 112.A OE1 no hydrogen 2.775 N/A CYS 143.A SG LEU 141.A O no hydrogen 3.807 N/A LYS 144.A N LEU 136.A O no hydrogen 2.916 N/A LYS 144.A NZ GLU 63.A O no hydrogen 3.163 N/A LYS 144.A NZ GLU 82.A OE1 no hydrogen 3.010 N/A LYS 144.A NZ GLU 82.A OE2 no hydrogen 2.776 N/A VAL 145.A N LYS 64.A O no hydrogen 2.857 N/A ALA 146.A N ASN 134.A O no hydrogen 2.956 N/A LYS 154.A NZ PRO 189.A O no hydrogen 3.216 N/A LYS 154.A NZ TYR 190.A O no hydrogen 3.476 N/A LYS 154.A NZ MET 193.A O no hydrogen 2.872 N/A TRP 155.A N PRO 152.A O no hydrogen 3.134 N/A TRP 155.A NE1 GLU 181.A OE2 no hydrogen 2.932 N/A THR 156.A N ILE 153.A O no hydrogen 3.165 N/A THR 156.A OG1 PRO 152.A O no hydrogen 2.620 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.733 N/A ALA 160.A N ALA 157.A O no hydrogen 2.955 N/A ALA 161.A N ALA 157.A O no hydrogen 2.853 N/A LEU 162.A N PRO 158.A O no hydrogen 2.761 N/A TYR 163.A N GLU 159.A O no hydrogen 3.122 N/A GLY 164.A N ALA 160.A O no hydrogen 2.959 N/A ARG 165.A N GLU 159.A O no hydrogen 3.144 N/A PHE 166.A N GLY 164.A O no hydrogen 3.000 N/A THR 167.A N SER 170.A OG no hydrogen 2.674 N/A LYS 169.A NZ ARG 233.A O no hydrogen 2.941 N/A SER 170.A N THR 167.A O no hydrogen 2.901 N/A SER 170.A N THR 167.A OG1 no hydrogen 3.313 N/A SER 170.A OG THR 167.A O no hydrogen 2.560 N/A ASP 171.A N THR 167.A O no hydrogen 3.172 N/A VAL 172.A N ILE 168.A O no hydrogen 2.982 N/A TRP 173.A N LYS 169.A O no hydrogen 3.343 N/A SER 174.A N SER 170.A O no hydrogen 3.190 N/A SER 174.A OG TRP 155.A O no hydrogen 2.574 N/A SER 174.A OG SER 170.A O no hydrogen 3.326 N/A PHE 175.A N ASP 171.A O no hydrogen 2.793 N/A GLY 176.A N VAL 172.A O no hydrogen 3.007 N/A ILE 177.A N TRP 173.A O no hydrogen 3.146 N/A LEU 178.A N SER 174.A O no hydrogen 2.786 N/A LEU 179.A N PHE 175.A O no hydrogen 2.971 N/A THR 180.A N ILE 177.A O no hydrogen 2.922 N/A THR 180.A OG1.A ILE 177.A O no hydrogen 2.358 N/A THR 180.A OG1.B GLY 176.A O no hydrogen 3.484 N/A GLU 181.A N ILE 177.A O no hydrogen 3.145 N/A LEU 182.A N LEU 178.A O no hydrogen 2.949 N/A THR 183.A N LEU 179.A O no hydrogen 3.002 N/A THR 183.A OG1 LEU 179.A O no hydrogen 2.846 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.506 N/A THR 184.A N THR 180.A O no hydrogen 2.837 N/A THR 184.A OG1 THR 180.A O no hydrogen 2.870 N/A LYS 185.A N LEU 182.A O no hydrogen 3.391 N/A LYS 185.A NZ GLY 98.A O no hydrogen 2.651 N/A LYS 185.A NZ LEU 101.A O no hydrogen 2.740 N/A LYS 185.A NZ ASN 259.A O no hydrogen 3.184 N/A GLY 186.A N GLU 181.A O no hydrogen 2.623 N/A ARG 187.A N THR 184.A OG1 no hydrogen 3.124 N/A MET 193.A N TYR 190.A O no hydrogen 3.024 N/A VAL 198.A N VAL 194.A O no hydrogen 3.076 N/A LEU 199.A N ASN 195.A O no hydrogen 3.179 N/A ASP 200.A N ARG 196.A O no hydrogen 3.337 N/A GLN 201.A N GLU 197.A O no hydrogen 3.056 N/A VAL 202.A N VAL 198.A O no hydrogen 2.828 N/A GLU 203.A N LEU 199.A O no hydrogen 3.259 N/A ARG 204.A N ASP 200.A O no hydrogen 3.081 N/A GLY 205.A N VAL 202.A O no hydrogen 3.012 N/A TYR 206.A N GLN 201.A O no hydrogen 2.863 N/A ARG 207.A NE TRP 226.A O no hydrogen 2.895 N/A ARG 207.A NH1 VAL 202.A O no hydrogen 2.910 N/A ARG 207.A NH1 TYR 206.A O no hydrogen 2.766 N/A ARG 207.A NH2 TRP 226.A O no hydrogen 2.747 N/A CYS 210.A SG PRO 211.A O no hydrogen 3.781 N/A CYS 210.A SG CYS 214.A O no hydrogen 2.899 N/A CYS 210.A SG GLU 216.A OE1 no hydrogen 3.631 N/A CYS 214.A N PRO 211.A O no hydrogen 2.958 N/A CYS 214.A SG PRO 215.A O no hydrogen 3.669 N/A SER 217.A OG TYR 246.A OH no hydrogen 2.519 N/A SER 217.A OG GLU 251.A OE1 no hydrogen 2.454 N/A LEU 218.A N PRO 215.A O no hydrogen 2.992 N/A HIS 219.A N PRO 215.A O no hydrogen 3.374 N/A HIS 219.A ND1 GLU 216.A OE2 no hydrogen 3.088 N/A HIS 219.A NE2 MET 208.A O no hydrogen 2.776 N/A ASP 220.A N GLU 216.A O no hydrogen 2.835 N/A LEU 221.A N SER 217.A O no hydrogen 3.429 N/A MET 222.A N LEU 218.A O no hydrogen 3.118 N/A CYS 223.A N HIS 219.A O no hydrogen 2.877 N/A CYS 223.A SG HIS 219.A O no hydrogen 3.524 N/A GLN 224.A N ASP 220.A O no hydrogen 2.867 N/A GLN 224.A NE2 ASP 220.A O no hydrogen 3.541 N/A CYS 225.A N LEU 221.A O no hydrogen 3.139 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.400 N/A TRP 226.A N MET 222.A O no hydrogen 3.065 N/A TRP 226.A N CYS 223.A O no hydrogen 3.126 N/A ARG 227.A NH1 GLU 232.A O no hydrogen 2.557 N/A GLU 231.A N ASP 229.A OD1 no hydrogen 3.041 N/A GLU 232.A N ASP 229.A O no hydrogen 3.095 N/A ARG 233.A N PRO 230.A O no hydrogen 3.182 N/A ARG 233.A NE ARG 227.A O no hydrogen 2.994 N/A ARG 233.A NH1 GLU 159.A OE2 no hydrogen 2.762 N/A ARG 233.A NH1 LYS 169.A O no hydrogen 2.888 N/A ARG 233.A NH2 GLU 159.A OE1 no hydrogen 3.090 N/A ARG 233.A NH2 GLU 159.A OE2 no hydrogen 3.461 N/A ARG 233.A NH2 ARG 227.A O no hydrogen 3.053 N/A PHE 236.A N GLU 121.A OE2 no hydrogen 2.828 N/A GLU 237.A N GLU 121.A OE1 no hydrogen 3.227 N/A TYR 238.A N THR 235.A OG1 no hydrogen 2.924 N/A LEU 239.A N THR 235.A O no hydrogen 2.854 N/A GLN 240.A N PHE 236.A O no hydrogen 2.669 N/A GLN 240.A NE2 GLU 244.A OE2 no hydrogen 2.644 N/A ALA 241.A N GLU 237.A O no hydrogen 3.229 N/A PHE 242.A N TYR 238.A O no hydrogen 3.012 N/A LEU 243.A N LEU 239.A O no hydrogen 3.083 N/A GLU 244.A N GLN 240.A O no hydrogen 2.922 N/A ASP 245.A N ALA 241.A O no hydrogen 2.947 N/A TYR 246.A N LEU 243.A O no hydrogen 3.144 N/A TYR 246.A OH SER 217.A OG no hydrogen 2.519 N/A THR 248.A N ASP 245.A O no hydrogen 3.017 N/A SER 249.A N ASP 245.A O no hydrogen 2.982 N/A THR 250.A N TYR 246.A O no hydrogen 3.081 N/A GLU 251.A N TYR 246.A O no hydrogen 2.969 N/A TYR 254.A N GLU 251.A O no hydrogen 3.366 N/A TYR 254.A OH LEU 260.A OXT no hydrogen 2.464 N/A GLY 257.A N LEU 260.A O no hydrogen 2.903 N/A ASN 259.A N GLU 213.A OE2 no hydrogen 3.259 N/A ASN 259.A ND2 GLU 213.A OE1 no hydrogen 3.176 N/A