Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xnb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.266 N/A GLN 5.A N ARG 22.A O no hydrogen 3.015 N/A VAL 7.A N LYS 20.A O no hydrogen 2.655 N/A GLU 8.A N LYS 20.A O no hydrogen 3.084 N/A ILE 10.A N VAL 18.A O no hydrogen 2.930 N/A GLY 13.A N GLY 16.A O no hydrogen 2.711 N/A TYR 15.A N GLY 13.A O no hydrogen 2.656 N/A VAL 18.A N GLY 11.A O no hydrogen 3.211 N/A TYR 19.A N LEU 32.A O no hydrogen 2.861 N/A LYS 20.A N GLU 8.A O no hydrogen 2.775 N/A ALA 21.A N VAL 30.A O no hydrogen 3.022 N/A ARG 22.A N GLN 5.A O no hydrogen 2.848 N/A ASN 23.A N GLU 28.A O no hydrogen 2.737 N/A LYS 24.A N ASN 3.A O no hydrogen 2.945 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.009 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.081 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.177 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.328 N/A VAL 30.A N ALA 21.A O no hydrogen 2.961 N/A ALA 31.A N PHE 78.A O no hydrogen 2.858 N/A LEU 32.A N TYR 19.A O no hydrogen 2.675 N/A LYS 33.A N LEU 76.A O no hydrogen 2.839 N/A LYS 34.A N VAL 17.A O no hydrogen 3.106 N/A ILE 35.A N LEU 74.A O no hydrogen 3.065 N/A ARG 48.A N SER 44.A O no hydrogen 3.333 N/A ARG 48.A NE SER 44.A O no hydrogen 3.087 N/A GLU 49.A N THR 45.A O no hydrogen 3.117 N/A ILE 50.A N ALA 46.A O no hydrogen 2.921 N/A SER 51.A N ILE 47.A O no hydrogen 2.929 N/A LEU 52.A N ARG 48.A O no hydrogen 3.439 N/A LEU 53.A N ILE 50.A O no hydrogen 2.973 N/A LYS 54.A N SER 51.A O no hydrogen 3.038 N/A GLU 55.A N LEU 52.A O no hydrogen 3.141 N/A LEU 56.A N LEU 53.A O no hydrogen 3.016 N/A ASN 57.A ND2 LYS 54.A O no hydrogen 3.560 N/A HIS 58.A NE2 ASN 60.A OD1 no hydrogen 3.168 N/A ASN 60.A ND2 GLN 108.A OE1 no hydrogen 3.138 N/A ASN 60.A ND2 ILE 139.A O no hydrogen 2.897 N/A ILE 61.A N HIS 58.A O no hydrogen 2.810 N/A VAL 62.A N LEU 141.A O no hydrogen 2.751 N/A LYS 63.A N GLU 79.A OE2 no hydrogen 3.074 N/A LEU 65.A N VAL 77.A O no hydrogen 2.509 N/A ASP 66.A N VAL 77.A O no hydrogen 3.234 N/A ILE 68.A N TYR 75.A O no hydrogen 2.834 N/A THR 70.A N LYS 73.A O no hydrogen 2.910 N/A LYS 73.A N THR 70.A O no hydrogen 2.885 N/A LYS 73.A NZ ILE 35.A O no hydrogen 3.373 N/A TYR 75.A N ILE 68.A O no hydrogen 3.163 N/A LEU 76.A N LYS 33.A O no hydrogen 2.747 N/A VAL 77.A N ASP 66.A O no hydrogen 2.905 N/A PHE 78.A N ALA 31.A O no hydrogen 2.857 N/A GLU 79.A N LYS 63.A O no hydrogen 2.979 N/A LEU 85.A N PRO 128.A O no hydrogen 3.166 N/A LEU 85.A N LEU 131.A O no hydrogen 2.748 N/A LYS 86.A N PRO 128.A O no hydrogen 3.155 N/A LYS 86.A NZ ASP 90.A OD2 no hydrogen 3.072 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 2.883 N/A LYS 87.A NZ ARG 295.A O no hydrogen 3.536 N/A MET 89.A N LEU 85.A O no hydrogen 2.848 N/A ASP 90.A N LYS 86.A O no hydrogen 2.963 N/A ALA 91.A N LYS 87.A O no hydrogen 2.703 N/A SER 92.A N MET 89.A O no hydrogen 3.057 N/A SER 92.A OG PHE 88.A O no hydrogen 2.677 N/A ALA 93.A N ASP 90.A O no hydrogen 3.232 N/A GLY 96.A N SER 92.A O no hydrogen 2.596 N/A LEU 101.A N PRO 98.A O no hydrogen 2.829 N/A ILE 102.A N PRO 98.A O no hydrogen 2.973 N/A LYS 103.A N LEU 99.A O no hydrogen 2.894 N/A LYS 103.A NZ PHE 283.A O no hydrogen 2.996 N/A LYS 103.A NZ ASP 286.A OD1 no hydrogen 2.279 N/A LYS 103.A NZ ASP 286.A OD2 no hydrogen 3.194 N/A SER 104.A N PRO 100.A O no hydrogen 3.083 N/A TYR 105.A N LEU 101.A O no hydrogen 3.122 N/A LEU 106.A N ILE 102.A O no hydrogen 2.921 N/A PHE 107.A N LYS 103.A O no hydrogen 2.905 N/A GLN 108.A N SER 104.A O no hydrogen 2.923 N/A GLN 108.A NE2 SER 104.A O no hydrogen 3.514 N/A GLN 108.A NE2 SER 104.A OG no hydrogen 3.030 N/A GLN 108.A NE2 GLY 137.A O no hydrogen 2.704 N/A LEU 109.A N TYR 105.A O no hydrogen 3.019 N/A LEU 110.A N LEU 106.A O no hydrogen 2.910 N/A GLN 111.A N PHE 107.A O no hydrogen 2.999 N/A GLN 111.A N GLN 108.A O no hydrogen 3.071 N/A GLY 112.A N GLN 108.A O no hydrogen 2.979 N/A LEU 113.A N LEU 109.A O no hydrogen 2.710 N/A ALA 114.A N LEU 110.A O no hydrogen 2.763 N/A PHE 115.A N GLN 111.A O no hydrogen 3.020 N/A CYS 116.A N GLY 112.A O no hydrogen 2.978 N/A CYS 116.A SG GLY 112.A O no hydrogen 3.503 N/A HIS 117.A N LEU 113.A O no hydrogen 2.782 N/A HIS 117.A ND1 VAL 121.A O no hydrogen 3.361 N/A SER 118.A N ALA 114.A O no hydrogen 2.897 N/A SER 118.A OG PHE 115.A O no hydrogen 2.621 N/A HIS 119.A N CYS 116.A O no hydrogen 2.825 N/A HIS 119.A ND1 PHE 115.A O no hydrogen 3.128 N/A ARG 120.A N HIS 117.A O no hydrogen 3.056 N/A VAL 121.A N CYS 116.A O no hydrogen 3.007 N/A HIS 123.A N ASP 183.A OD2 no hydrogen 2.806 N/A ARG 124.A N ASP 183.A OD1 no hydrogen 2.812 N/A LYS 127.A NZ ASP 125.A OD1 no hydrogen 3.041 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.808 N/A ASN 130.A N LYS 127.A O no hydrogen 2.837 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.692 N/A LEU 132.A N LYS 140.A O no hydrogen 3.120 N/A ILE 133.A N GLN 83.A O no hydrogen 2.851 N/A ASN 134.A N ALA 138.A O no hydrogen 3.223 N/A THR 135.A OG1 GLU 136.A OE2 no hydrogen 3.396 N/A GLU 136.A N ASN 134.A OD1 no hydrogen 3.018 N/A GLY 137.A N ASN 134.A O no hydrogen 3.416 N/A ALA 138.A N ASN 134.A OD1 no hydrogen 3.092 N/A ILE 139.A N GLN 108.A OE1 no hydrogen 3.287 N/A LYS 140.A N LEU 132.A O no hydrogen 2.986 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 3.446 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 2.619 N/A LEU 141.A N ASN 60.A O no hydrogen 2.685 N/A ALA 142.A N ASN 130.A O no hydrogen 2.836 N/A ALA 149.A N LEU 146.A O no hydrogen 2.939 N/A PHE 150.A N LEU 146.A O no hydrogen 3.415 N/A THR 156.A OG1 THR 14.A O no hydrogen 3.090 N/A HIS 159.A N ARG 155.A O no hydrogen 3.187 N/A TYR 166.A OH GLU 193.A OE1 no hydrogen 2.498 N/A TYR 166.A OH GLU 193.A OE2 no hydrogen 3.349 N/A ARG 167.A N LEU 164.A O no hydrogen 2.855 N/A ARG 167.A NH1.B ASP 125.A OD2 no hydrogen 2.663 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.663 N/A ILE 171.A N ALA 168.A O no hydrogen 3.049 N/A LEU 172.A N ALA 168.A O no hydrogen 3.264 N/A LEU 173.A N PRO 169.A O no hydrogen 2.915 N/A GLY 174.A N ILE 171.A O no hydrogen 3.163 N/A CYS 175.A N GLU 170.A O no hydrogen 3.069 N/A CYS 175.A SG.A GLU 170.A O no hydrogen 3.429 N/A ALA 181.A N SER 179.A OG no hydrogen 3.112 N/A VAL 182.A N SER 179.A O no hydrogen 3.055 N/A ASP 183.A N THR 180.A O no hydrogen 3.155 N/A TRP 185.A N ALA 181.A O no hydrogen 3.169 N/A SER 186.A N VAL 182.A O no hydrogen 3.099 N/A SER 186.A OG TYR 166.A O no hydrogen 2.695 N/A SER 186.A OG VAL 182.A O no hydrogen 2.896 N/A LEU 187.A N ASP 183.A O no hydrogen 2.871 N/A GLY 188.A N ILE 184.A O no hydrogen 2.826 N/A CYS 189.A N TRP 185.A O no hydrogen 2.974 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.426 N/A ILE 190.A N SER 186.A O no hydrogen 3.162 N/A PHE 191.A N LEU 187.A O no hydrogen 2.851 N/A ALA 192.A N GLY 188.A O no hydrogen 2.988 N/A GLU 193.A N CYS 189.A O no hydrogen 3.020 N/A MET 194.A N ILE 190.A O no hydrogen 2.807 N/A VAL 195.A N PHE 191.A O no hydrogen 3.047 N/A THR 196.A N ALA 192.A O no hydrogen 2.888 N/A THR 196.A OG1 ALA 192.A O no hydrogen 2.970 N/A THR 196.A OG1 ARG 198.A O no hydrogen 2.928 N/A ARG 197.A N GLU 193.A O no hydrogen 2.923 N/A ARG 197.A NH1 ALA 93.A O no hydrogen 3.021 N/A ARG 198.A N THR 196.A OG1 no hydrogen 3.345 N/A GLY 203.A N PHE 201.A O no hydrogen 2.901 N/A GLY 203.A N GLN 209.A OE1 no hydrogen 3.014 N/A ASP 204.A N ASP 208.A OD2 no hydrogen 3.077 N/A ASP 208.A N SER 205.A OG no hydrogen 3.367 N/A GLN 209.A N SER 205.A O no hydrogen 2.825 N/A GLN 209.A NE2 TRP 165.A O no hydrogen 3.123 N/A GLN 209.A NE2 PHE 201.A O no hydrogen 3.095 N/A LEU 210.A N GLU 206.A O no hydrogen 2.961 N/A PHE 211.A N ILE 207.A O no hydrogen 2.760 N/A ARG 212.A N ASP 208.A O no hydrogen 2.841 N/A ARG 212.A NE ASP 208.A OD2 no hydrogen 2.977 N/A ILE 213.A N GLN 209.A O no hydrogen 3.113 N/A PHE 214.A N LEU 210.A O no hydrogen 2.929 N/A ARG 215.A N PHE 211.A O no hydrogen 2.829 N/A THR 216.A N ARG 212.A O no hydrogen 3.370 N/A THR 216.A N ILE 213.A O no hydrogen 3.244 N/A THR 216.A OG1 ARG 212.A O no hydrogen 3.348 N/A LEU 217.A N ILE 213.A O no hydrogen 2.882 N/A THR 219.A N TRP 241.A O no hydrogen 2.981 N/A THR 219.A OG1 PRO 239.A O no hydrogen 2.736 N/A VAL 223.A N ASP 221.A OD1 no hydrogen 3.158 N/A VAL 224.A N ASP 221.A OD1 no hydrogen 3.100 N/A TRP 225.A N ASP 221.A O no hydrogen 2.813 N/A GLY 227.A N GLU 222.A OE1 no hydrogen 2.709 N/A VAL 228.A N TRP 225.A O no hydrogen 2.817 N/A THR 229.A N GLU 222.A OE2 no hydrogen 3.055 N/A THR 229.A OG1 GLU 222.A OE2 no hydrogen 2.316 N/A SER 230.A N GLY 227.A O no hydrogen 3.157 N/A MET 231.A N VAL 228.A O no hydrogen 3.101 N/A ASP 233.A N LEU 173.A O no hydrogen 2.950 N/A TYR 234.A N MET 231.A O no hydrogen 3.126 N/A PHE 238.A N LYS 235.A O no hydrogen 2.880 N/A LYS 240.A NZ PRO 236.A O no hydrogen 3.501 N/A TRP 241.A N THR 219.A OG1 no hydrogen 2.901 N/A ARG 243.A NH1 LEU 217.A O no hydrogen 3.376 N/A GLN 244.A N THR 216.A O no hydrogen 3.056 N/A ASP 245.A N ASP 245.A OD1.B no hydrogen 2.313 N/A SER 247.A N ASP 245.A OD1.A no hydrogen 3.229 N/A SER 247.A OG ASP 245.A OD1.A no hydrogen 3.057 N/A SER 247.A OG ASP 245.A OD2.B no hydrogen 3.326 N/A LYS 248.A N ASP 245.A O no hydrogen 3.020 N/A VAL 249.A N PHE 246.A O no hydrogen 2.881 N/A VAL 250.A N PHE 246.A O no hydrogen 3.086 N/A LEU 253.A N VAL 250.A O no hydrogen 3.013 N/A GLY 257.A N ASP 254.A OD1 no hydrogen 3.104 N/A ARG 258.A N ASP 254.A O no hydrogen 2.918 N/A ARG 258.A NE LEU 253.A O no hydrogen 2.876 N/A ARG 258.A NH1 GLU 255.A OE1 no hydrogen 2.812 N/A SER 259.A N GLU 255.A O no hydrogen 2.918 N/A LEU 260.A N ASP 256.A O no hydrogen 2.846 N/A LEU 261.A N GLY 257.A O no hydrogen 2.812 N/A SER 262.A N ARG 258.A O no hydrogen 2.932 N/A SER 262.A OG SER 259.A O no hydrogen 3.022 N/A GLN 263.A N SER 259.A O no hydrogen 3.189 N/A GLN 263.A N LEU 260.A O no hydrogen 3.061 N/A MET 264.A N LEU 260.A O no hydrogen 3.080 N/A MET 264.A N LEU 261.A O no hydrogen 2.861 N/A LEU 265.A N LEU 261.A O no hydrogen 2.868 N/A TYR 267.A OH GLY 218.A O no hydrogen 2.733 N/A ASN 270.A N ASP 268.A OD1 no hydrogen 3.098 N/A LYS 271.A N ASP 268.A O no hydrogen 2.861 N/A LYS 271.A NZ.A VAL 224.A O no hydrogen 3.040 N/A LYS 271.A NZ.A ASP 268.A OD2 no hydrogen 3.370 N/A ARG 272.A N ASP 268.A O no hydrogen 3.064 N/A ARG 272.A NE HIS 266.A O no hydrogen 2.866 N/A ARG 272.A NH1 GLU 170.A OE1 no hydrogen 3.505 N/A ARG 272.A NH1 GLU 170.A OE2 no hydrogen 2.956 N/A ARG 272.A NH1 ALA 181.A O no hydrogen 2.892 N/A ARG 272.A NH2 GLU 170.A OE1 no hydrogen 2.930 N/A ARG 272.A NH2 HIS 266.A O no hydrogen 3.253 N/A ARG 272.A NH2 TYR 267.A O no hydrogen 2.887 N/A ILE 273.A N GLN 263.A O no hydrogen 2.874 N/A ALA 277.A N SER 274.A OG no hydrogen 3.100 N/A ALA 278.A N SER 274.A O no hydrogen 2.912 N/A LEU 279.A N ALA 275.A O no hydrogen 3.040 N/A ALA 280.A N ALA 277.A O no hydrogen 2.921 N/A HIS 281.A N ALA 278.A O no hydrogen 2.892 N/A PHE 283.A N HIS 281.A ND1 no hydrogen 3.001 N/A PHE 284.A N HIS 281.A O no hydrogen 2.956 N/A GLN 285.A N PRO 282.A O no hydrogen 3.069 N/A VAL 287.A N PHE 284.A O no hydrogen 3.176 N/A