Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ue4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD2 no hydrogen 3.338 N/A MET 5.A N VAL 72.A O no hydrogen 3.092 N/A ARG 7.A NH1 GLU 76.A OE2 no hydrogen 3.270 N/A ARG 7.A NH2 PRO 78.A O no hydrogen 2.592 N/A ASP 9.A N GLU 6.A O no hydrogen 2.833 N/A ILE 10.A N ARG 7.A O no hydrogen 3.357 N/A THR 11.A N VAL 28.A O no hydrogen 2.956 N/A THR 11.A OG1 MET 12.A O no hydrogen 3.545 N/A LYS 13.A N GLU 26.A O no hydrogen 2.797 N/A HIS 14.A N GLU 26.A O no hydrogen 3.238 N/A LYS 15.A NZ GLU 23.A OE1 no hydrogen 2.857 N/A LEU 16.A N VAL 24.A O no hydrogen 2.667 N/A GLY 17.A N VAL 24.A O no hydrogen 3.358 N/A VAL 24.A N GLY 17.A O no hydrogen 2.740 N/A TYR 25.A N VAL 38.A O no hydrogen 2.805 N/A TYR 25.A OH GLU 23.A OE2 no hydrogen 3.055 N/A GLU 26.A N HIS 14.A O no hydrogen 2.721 N/A GLY 27.A N VAL 36.A O no hydrogen 2.758 N/A VAL 28.A N THR 11.A O no hydrogen 2.939 N/A TRP 29.A N LEU 34.A O no hydrogen 2.797 N/A LYS 30.A N ASP 9.A O no hydrogen 3.070 N/A LYS 30.A NZ THR 8.A O no hydrogen 2.712 N/A LYS 31.A NZ TYR 32.A OH no hydrogen 3.442 N/A TYR 32.A N TRP 29.A O no hydrogen 3.053 N/A SER 33.A N LYS 30.A O no hydrogen 2.952 N/A LEU 34.A N TRP 29.A O no hydrogen 3.275 N/A VAL 36.A N GLY 27.A O no hydrogen 2.799 N/A ALA 37.A N THR 83.A O no hydrogen 3.008 N/A VAL 38.A N TYR 25.A O no hydrogen 2.860 N/A LYS 39.A N ILE 81.A O no hydrogen 2.803 N/A THR 40.A N GLU 23.A O no hydrogen 2.821 N/A LEU 41.A N PHE 79.A O no hydrogen 3.030 N/A MET 46.A N THR 45.A OG1 no hydrogen 2.694 N/A LEU 52.A N VAL 48.A O no hydrogen 3.257 N/A LYS 53.A N GLU 49.A O no hydrogen 3.048 N/A GLU 54.A N GLU 50.A O no hydrogen 3.167 N/A ALA 55.A N PHE 51.A O no hydrogen 2.991 N/A ALA 56.A N LEU 52.A O no hydrogen 2.771 N/A VAL 57.A N LYS 53.A O no hydrogen 3.123 N/A MET 58.A N GLU 54.A O no hydrogen 2.925 N/A LYS 59.A N ALA 56.A O no hydrogen 3.277 N/A LYS 59.A NZ ASP 1.A OD1 no hydrogen 3.325 N/A LYS 59.A NZ ASP 1.A OD2 no hydrogen 3.119 N/A GLU 60.A N VAL 57.A O no hydrogen 2.951 N/A ILE 61.A N MET 58.A O no hydrogen 3.451 N/A LYS 62.A N TYR 121.A OH no hydrogen 2.945 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.941 N/A ASN 65.A ND2 VAL 145.A O no hydrogen 2.960 N/A LEU 66.A N HIS 63.A O no hydrogen 2.892 N/A VAL 67.A N VAL 147.A O no hydrogen 3.107 N/A GLN 68.A N GLU 84.A OE1 no hydrogen 2.671 N/A GLN 68.A NE2 LEU 69.A O no hydrogen 3.618 N/A LEU 70.A N ILE 82.A O no hydrogen 2.716 N/A GLY 71.A N ILE 82.A O no hydrogen 3.260 N/A VAL 72.A N TRP 3.A O no hydrogen 2.805 N/A CYS 73.A N TYR 80.A O no hydrogen 2.833 N/A CYS 73.A SG MET 5.A O no hydrogen 3.175 N/A THR 74.A N GLU 4.A OE2 no hydrogen 2.754 N/A THR 74.A OG1 GLU 4.A OE2 no hydrogen 2.536 N/A PHE 79.A N LEU 41.A O no hydrogen 3.184 N/A TYR 80.A N CYS 73.A O no hydrogen 3.079 N/A ILE 81.A N LYS 39.A O no hydrogen 2.900 N/A ILE 82.A N GLY 71.A O no hydrogen 2.844 N/A THR 83.A N ALA 37.A O no hydrogen 2.932 N/A THR 83.A OG1 GLU 84.A O no hydrogen 2.996 N/A GLU 84.A N GLN 68.A O no hydrogen 3.117 N/A TYR 88.A N VAL 139.A O no hydrogen 2.796 N/A GLY 89.A N MET 86.A O no hydrogen 3.036 N/A ASN 90.A ND2 ASP 93.A OD2 no hydrogen 2.789 N/A LEU 91.A N CYS 137.A O no hydrogen 2.849 N/A ASP 93.A N ASN 90.A OD1 no hydrogen 2.851 N/A TYR 94.A N ASN 90.A O no hydrogen 3.242 N/A TYR 94.A OH HIS 143.A ND1 no hydrogen 3.061 N/A LEU 95.A N LEU 91.A O no hydrogen 2.843 N/A ARG 96.A N LEU 92.A O no hydrogen 3.028 N/A ARG 96.A NE GLY 204.A O no hydrogen 2.711 N/A ARG 96.A NH2 GLY 204.A O no hydrogen 2.949 N/A GLU 97.A N ASP 93.A O no hydrogen 3.012 N/A GLU 97.A N TYR 94.A O no hydrogen 3.290 N/A CYS 98.A SG LEU 95.A O no hydrogen 3.258 N/A GLN 101.A N ASN 99.A OD1 no hydrogen 2.971 N/A GLU 102.A N ASN 99.A O no hydrogen 2.858 N/A VAL 103.A N ASN 99.A O no hydrogen 2.746 N/A VAL 107.A N ASN 104.A OD1 no hydrogen 3.242 N/A LEU 108.A N ASN 104.A O no hydrogen 3.008 N/A LEU 109.A N ALA 105.A O no hydrogen 3.162 N/A TYR 110.A N VAL 106.A O no hydrogen 3.026 N/A MET 111.A N VAL 107.A O no hydrogen 2.906 N/A ALA 112.A N LEU 108.A O no hydrogen 2.919 N/A THR 113.A N LEU 109.A O no hydrogen 2.854 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.842 N/A GLN 114.A N TYR 110.A O no hydrogen 2.959 N/A GLN 114.A NE2 TYR 110.A O no hydrogen 3.286 N/A GLN 114.A NE2 HIS 143.A O no hydrogen 2.888 N/A ILE 115.A N MET 111.A O no hydrogen 3.069 N/A SER 116.A N ALA 112.A O no hydrogen 2.954 N/A SER 116.A OG ALA 112.A O no hydrogen 3.398 N/A SER 116.A OG THR 113.A O no hydrogen 3.064 N/A SER 117.A N THR 113.A O no hydrogen 3.008 N/A SER 117.A OG HIS 63.A NE2 no hydrogen 3.249 N/A ALA 118.A N GLN 114.A O no hydrogen 3.219 N/A MET 119.A N ILE 115.A O no hydrogen 2.975 N/A GLU 120.A N SER 116.A O no hydrogen 2.829 N/A TYR 121.A N SER 117.A O no hydrogen 3.177 N/A LEU 122.A N ALA 118.A O no hydrogen 3.074 N/A GLU 123.A N MET 119.A O no hydrogen 2.848 N/A LYS 124.A N GLU 120.A O no hydrogen 3.138 N/A LYS 124.A NZ GLU 120.A OE2 no hydrogen 3.479 N/A LYS 125.A N TYR 121.A O no hydrogen 3.056 N/A ASN 126.A N GLU 123.A O no hydrogen 3.183 N/A PHE 127.A N LEU 122.A O no hydrogen 2.816 N/A ILE 128.A N SER 153.A O no hydrogen 2.815 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.850 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.802 N/A ARG 130.A N GLY 151.A O no hydrogen 3.114 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.900 N/A ALA 134.A N GLU 199.A OE2 no hydrogen 2.761 N/A ARG 135.A NH2 ASP 131.A OD1 no hydrogen 2.974 N/A ASN 136.A N ALA 133.A O no hydrogen 2.864 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.647 N/A CYS 137.A N ALA 134.A O no hydrogen 2.981 N/A CYS 137.A SG ALA 133.A O no hydrogen 3.681 N/A LEU 138.A N LYS 146.A O no hydrogen 2.789 N/A VAL 139.A N GLY 89.A O no hydrogen 2.842 N/A GLY 140.A N LEU 144.A O no hydrogen 2.800 N/A HIS 143.A ND1 TYR 94.A OH no hydrogen 3.061 N/A LEU 144.A N GLU 141.A O no hydrogen 3.224 N/A VAL 145.A N GLN 114.A OE1 no hydrogen 2.854 N/A LYS 146.A N LEU 138.A O no hydrogen 2.890 N/A LYS 146.A NZ GLU 84.A OE1 no hydrogen 2.701 N/A LYS 146.A NZ GLU 84.A OE2 no hydrogen 2.745 N/A VAL 147.A N ASN 65.A O no hydrogen 2.865 N/A ALA 148.A N ASN 136.A O no hydrogen 2.964 N/A SER 153.A N ILE 128.A O no hydrogen 2.856 N/A ARG 154.A NH2 GLU 60.A OE1 no hydrogen 2.852 N/A LEU 155.A N ASN 126.A O no hydrogen 2.781 N/A THR 157.A OG1 THR 157.A O no hydrogen 2.406 N/A TYR 161.A N PHE 184.A O no hydrogen 2.712 N/A ALA 163.A N ASN 182.A O no hydrogen 2.985 N/A ALA 167.A N HIS 164.A O no hydrogen 3.142 N/A LYS 172.A NZ PRO 207.A O no hydrogen 3.027 N/A LYS 172.A NZ TYR 208.A O no hydrogen 2.650 N/A LYS 172.A NZ ILE 211.A O no hydrogen 3.220 N/A TRP 173.A N PRO 170.A O no hydrogen 3.063 N/A TRP 173.A NE1 GLU 199.A OE2 no hydrogen 2.802 N/A THR 174.A N ILE 171.A O no hydrogen 3.091 N/A THR 174.A OG1 PRO 170.A O no hydrogen 2.842 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.521 N/A SER 178.A OG LYS 183.A O no hydrogen 2.688 N/A LEU 179.A N ALA 175.A O no hydrogen 2.975 N/A ALA 180.A N PRO 176.A O no hydrogen 2.825 N/A TYR 181.A N GLU 177.A O no hydrogen 2.911 N/A ASN 182.A N SER 178.A O no hydrogen 2.965 N/A ASN 182.A ND2 ALA 163.A O no hydrogen 3.207 N/A PHE 184.A N TYR 161.A O no hydrogen 2.788 N/A SER 185.A N SER 188.A OG no hydrogen 2.940 N/A LYS 187.A N SER 185.A OG no hydrogen 3.131 N/A LYS 187.A NZ ARG 251.A O no hydrogen 2.758 N/A SER 188.A N SER 185.A O no hydrogen 2.946 N/A SER 188.A OG GLU 177.A OE2 no hydrogen 3.464 N/A ASP 189.A N SER 185.A O no hydrogen 3.258 N/A VAL 190.A N ILE 186.A O no hydrogen 3.016 N/A TRP 191.A N LYS 187.A O no hydrogen 3.138 N/A ALA 192.A N SER 188.A O no hydrogen 3.100 N/A PHE 193.A N ASP 189.A O no hydrogen 2.708 N/A GLY 194.A N VAL 190.A O no hydrogen 3.094 N/A VAL 195.A N TRP 191.A O no hydrogen 3.262 N/A LEU 196.A N ALA 192.A O no hydrogen 2.900 N/A LEU 197.A N PHE 193.A O no hydrogen 2.836 N/A TRP 198.A N GLY 194.A O no hydrogen 3.141 N/A GLU 199.A N VAL 195.A O no hydrogen 2.919 N/A ILE 200.A N LEU 196.A O no hydrogen 2.901 N/A ALA 201.A N LEU 197.A O no hydrogen 2.852 N/A THR 202.A N TRP 198.A O no hydrogen 2.944 N/A THR 202.A OG1 TRP 198.A O no hydrogen 2.930 N/A THR 202.A OG1 GLU 199.A O no hydrogen 3.241 N/A TYR 203.A N ILE 200.A O no hydrogen 3.077 N/A TYR 203.A OH VAL 103.A O no hydrogen 2.654 N/A GLY 204.A N GLU 199.A O no hydrogen 2.691 N/A MET 205.A N THR 202.A OG1 no hydrogen 3.023 N/A ILE 211.A N TYR 208.A O no hydrogen 2.963 N/A SER 214.A N ASP 212.A OD2 no hydrogen 3.077 N/A SER 214.A OG ASP 212.A OD1 no hydrogen 3.437 N/A SER 214.A OG ASP 212.A OD2 no hydrogen 2.596 N/A GLN 215.A N ASP 212.A O no hydrogen 2.924 N/A GLN 215.A NE2 ASP 212.A OD1 no hydrogen 3.039 N/A VAL 216.A N LEU 213.A O no hydrogen 3.285 N/A LEU 219.A N GLN 215.A O no hydrogen 3.049 N/A LEU 220.A N VAL 216.A O no hydrogen 2.883 N/A GLU 221.A N TYR 217.A O no hydrogen 2.833 N/A LYS 222.A N GLU 218.A O no hydrogen 3.168 N/A LYS 222.A N LEU 219.A O no hydrogen 2.936 N/A ASP 223.A N LEU 220.A O no hydrogen 3.035 N/A TYR 224.A N LEU 219.A O no hydrogen 2.916 N/A ARG 225.A NE TRP 244.A O no hydrogen 2.930 N/A ARG 225.A NH1 LEU 220.A O no hydrogen 3.044 N/A ARG 225.A NH1 TYR 224.A O no hydrogen 2.866 N/A ARG 225.A NH2 TRP 244.A O no hydrogen 2.983 N/A ARG 228.A N GLU 227.A OE1 no hydrogen 3.334 N/A ARG 228.A NE CYS 232.A O no hydrogen 2.672 N/A ARG 228.A NH2 CYS 232.A O no hydrogen 2.868 N/A CYS 232.A N PRO 229.A O no hydrogen 3.335 N/A CYS 232.A SG PRO 233.A O no hydrogen 3.659 N/A TYR 237.A N PRO 233.A O no hydrogen 3.078 N/A TYR 237.A OH MET 226.A O no hydrogen 2.527 N/A GLU 238.A N GLU 234.A O no hydrogen 2.813 N/A LEU 239.A N LYS 235.A O no hydrogen 3.048 N/A MET 240.A N VAL 236.A O no hydrogen 3.068 N/A ARG 241.A N TYR 237.A O no hydrogen 2.796 N/A ARG 241.A NH1 TYR 237.A OH no hydrogen 2.817 N/A ALA 242.A N GLU 238.A O no hydrogen 2.785 N/A CYS 243.A N LEU 239.A O no hydrogen 2.753 N/A CYS 243.A SG LEU 239.A O no hydrogen 3.311 N/A TRP 244.A N MET 240.A O no hydrogen 3.060 N/A TRP 244.A N ARG 241.A O no hydrogen 3.060 N/A GLN 245.A N ALA 242.A O no hydrogen 3.271 N/A ASN 247.A ND2 ASP 250.A OD2 no hydrogen 2.782 N/A ASP 250.A N ASN 247.A O no hydrogen 2.957 N/A ARG 251.A N PRO 248.A O no hydrogen 2.992 N/A ARG 251.A NE GLN 245.A O no hydrogen 2.922 N/A ARG 251.A NH1 GLU 177.A OE2 no hydrogen 2.774 N/A ARG 251.A NH1 LYS 187.A O no hydrogen 2.796 N/A ARG 251.A NH2 GLU 177.A OE1 no hydrogen 2.898 N/A ARG 251.A NH2 GLU 177.A OE2 no hydrogen 3.321 N/A ARG 251.A NH2 GLN 245.A O no hydrogen 3.442 N/A ARG 251.A NH2 TRP 246.A O no hydrogen 3.302 N/A SER 253.A N GLU 256.A OE1 no hydrogen 2.838 N/A PHE 254.A N GLU 123.A OE1 no hydrogen 2.729 N/A ALA 255.A N GLU 123.A OE2 no hydrogen 3.091 N/A GLU 256.A N SER 253.A OG no hydrogen 3.012 N/A ILE 257.A N SER 253.A O no hydrogen 2.968 N/A HIS 258.A N PHE 254.A O no hydrogen 2.865 N/A GLN 259.A N ALA 255.A O no hydrogen 2.981 N/A ALA 260.A N GLU 256.A O no hydrogen 2.960 N/A PHE 261.A N ILE 257.A O no hydrogen 2.938 N/A GLU 262.A N HIS 258.A O no hydrogen 2.819 N/A THR 263.A N GLN 259.A O no hydrogen 3.013 N/A THR 263.A OG1 GLN 259.A O no hydrogen 3.024 N/A THR 263.A OG1 GLN 259.A OE1 no hydrogen 3.249 N/A MET 264.A N ALA 260.A O no hydrogen 3.071 N/A PHE 265.A N PHE 261.A O no hydrogen 2.820 N/A GLN 266.A N GLU 262.A O no hydrogen 3.003 N/A GLN 266.A NE2 GLU 262.A O no hydrogen 2.950 N/A GLN 266.A NE2 GLU 262.A OE2 no hydrogen 2.735 N/A GLU 267.A N THR 263.A O no hydrogen 3.125 N/A SER 268.A N MET 264.A O no hydrogen 2.942 N/A SER 269.A N PHE 265.A O no hydrogen 3.087 N/A SER 269.A OG PHE 265.A O no hydrogen 2.838 N/A