Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kif_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLN 7.A OE1 no hydrogen 2.874 N/A GLN 7.A N SER 4.A OG no hydrogen 3.051 N/A ALA 8.A N SER 4.A O no hydrogen 3.186 N/A ARG 9.A N GLU 5.A O no hydrogen 3.137 N/A ARG 10.A N ALA 6.A O no hydrogen 3.068 N/A ARG 10.A NH1 ASP 14.A OD2 no hydrogen 2.936 N/A ALA 11.A N GLN 7.A O no hydrogen 2.980 N/A VAL 12.A N ALA 8.A O no hydrogen 3.014 N/A ALA 13.A N ARG 9.A O no hydrogen 2.994 N/A ASP 14.A N ARG 10.A O no hydrogen 2.849 N/A ILE 15.A N ALA 11.A O no hydrogen 2.971 N/A PHE 16.A N VAL 12.A O no hydrogen 3.075 N/A ASN 17.A N ALA 13.A O no hydrogen 2.912 N/A SER 18.A N ASP 14.A O no hydrogen 2.715 N/A SER 18.A OG ASP 14.A O no hydrogen 2.785 N/A THR 19.A N ILE 15.A O no hydrogen 2.988 N/A THR 19.A OG1 ILE 15.A O no hydrogen 3.091 N/A THR 19.A OG1 PHE 16.A O no hydrogen 3.318 N/A ALA 21.A N ASN 17.A O no hydrogen 2.727 N/A SER 22.A N SER 18.A O no hydrogen 2.712 N/A SER 23.A N THR 19.A O no hydrogen 3.164 N/A ALA 24.A N LEU 20.A O no hydrogen 2.953 N/A ILE 25.A N ALA 21.A O no hydrogen 2.943 N/A ILE 25.A N SER 22.A O no hydrogen 3.249 N/A ALA 27.A N SER 23.A O no hydrogen 3.291 N/A ALA 28.A N ALA 24.A O no hydrogen 2.665 N/A TRP 29.A N ILE 25.A O no hydrogen 2.876 N/A GLU 30.A N GLY 26.A O no hydrogen 2.915 N/A LEU 31.A N ALA 27.A O no hydrogen 3.016 N/A GLY 32.A N TRP 29.A O no hydrogen 3.032 N/A ALA 33.A N ALA 28.A O no hydrogen 2.710 N/A LEU 34.A N ALA 28.A O no hydrogen 3.343 N/A GLU 36.A N GLY 32.A O no hydrogen 3.002 N/A LEU 37.A N ALA 33.A O no hydrogen 2.890 N/A ARG 38.A N LEU 34.A O no hydrogen 2.856 N/A ARG 38.A NH2 ASP 35.A OD1 no hydrogen 3.001 N/A GLU 39.A N ASP 35.A O no hydrogen 2.989 N/A ASN 40.A N GLU 36.A O no hydrogen 3.308 N/A GLY 41.A N LEU 37.A O no hydrogen 2.771 N/A LEU 43.A N VAL 79.A O no hydrogen 2.881 N/A VAL 45.A N ALA 77.A O no hydrogen 2.947 N/A SER 46.A OG GLU 56.A OE2 no hydrogen 2.591 N/A ASP 47.A N ASP 44.A OD1 no hydrogen 2.628 N/A PHE 48.A N ASP 44.A O no hydrogen 2.616 N/A ALA 49.A N VAL 45.A O no hydrogen 2.803 N/A VAL 50.A N SER 46.A O no hydrogen 2.742 N/A ARG 51.A N ASP 47.A O no hydrogen 2.802 N/A ARG 51.A NE ASP 47.A OD2 no hydrogen 2.679 N/A ARG 51.A NH1 GLU 36.A OE2 no hydrogen 3.042 N/A ARG 51.A NH2 GLU 36.A OE1 no hydrogen 2.995 N/A ARG 51.A NH2 GLU 36.A OE2 no hydrogen 3.311 N/A ARG 51.A NH2 ASP 47.A OD2 no hydrogen 3.023 N/A HIS 52.A N PHE 48.A O no hydrogen 2.968 N/A ASP 53.A N VAL 50.A O no hydrogen 2.945 N/A LEU 54.A N ALA 49.A O no hydrogen 2.844 N/A ALA 58.A N HIS 55.A O no hydrogen 3.144 N/A VAL 59.A N HIS 55.A O no hydrogen 3.226 N/A VAL 60.A N GLU 56.A O no hydrogen 2.784 N/A GLY 61.A N PRO 57.A O no hydrogen 3.089 N/A MET 62.A N ALA 58.A O no hydrogen 2.805 N/A PHE 63.A N VAL 59.A O no hydrogen 3.047 N/A THR 64.A N VAL 60.A O no hydrogen 2.677 N/A THR 64.A OG1 VAL 60.A O no hydrogen 2.803 N/A ALA 65.A N GLY 61.A O no hydrogen 2.707 N/A LEU 66.A N MET 62.A O no hydrogen 3.365 N/A ALA 67.A N PHE 63.A O no hydrogen 2.954 N/A SER 68.A N THR 64.A O no hydrogen 2.872 N/A SER 68.A OG ALA 65.A O no hydrogen 2.582 N/A GLY 70.A N ALA 67.A O no hydrogen 3.172 N/A ILE 71.A N LEU 66.A O no hydrogen 3.108 N/A ARG 73.A N VAL 80.A O no hydrogen 2.714 N/A ARG 73.A NE GLU 75.A OE2 no hydrogen 3.171 N/A GLU 75.A N THR 78.A O no hydrogen 2.920 N/A THR 78.A N GLU 75.A O no hydrogen 3.041 N/A VAL 79.A N LEU 43.A O no hydrogen 2.820 N/A VAL 80.A N ARG 73.A O no hydrogen 2.936 N/A VAL 81.A N GLY 41.A O no hydrogen 3.241 N/A GLY 82.A N ILE 71.A O no hydrogen 2.795 N/A TYR 84.A N GLY 70.A O no hydrogen 3.047 N/A PHE 85.A N GLY 82.A O no hydrogen 3.149 N/A ALA 88.A N TYR 84.A O no hydrogen 2.909 N/A ASN 89.A N PHE 85.A O no hydrogen 2.769 N/A HIS 90.A N ASP 86.A O no hydrogen 2.827 N/A HIS 91.A N GLU 87.A O no hydrogen 3.139 N/A HIS 91.A ND1 TYR 141.A OH no hydrogen 2.804 N/A ARG 92.A N ASN 89.A O no hydrogen 3.088 N/A ARG 92.A NE GLU 136.A OE2 no hydrogen 2.863 N/A ARG 92.A NH1 ASP 35.A OD1 no hydrogen 2.815 N/A ARG 92.A NH1 ASN 89.A OD1 no hydrogen 3.025 N/A ARG 92.A NH2 ASP 35.A OD1 no hydrogen 3.457 N/A ARG 92.A NH2 GLU 136.A OE1 no hydrogen 3.195 N/A LEU 94.A N HIS 91.A O no hydrogen 2.941 N/A PHE 95.A N HIS 91.A O no hydrogen 3.362 N/A HIS 96.A N ARG 92.A O no hydrogen 2.962 N/A HIS 96.A NE2 GLU 30.A OE1 no hydrogen 3.041 N/A TRP 97.A N SER 93.A O no hydrogen 2.909 N/A LEU 98.A N LEU 94.A O no hydrogen 3.049 N/A ASN 99.A N PHE 95.A O no hydrogen 2.875 N/A ASN 99.A N HIS 96.A O no hydrogen 3.066 N/A ASN 99.A ND2 SER 22.A OG no hydrogen 2.686 N/A ASN 99.A ND2 PHE 95.A O no hydrogen 3.091 N/A GLN 100.A NE2 SER 23.A O no hydrogen 3.310 N/A GLN 100.A NE2 SER 23.A OG no hydrogen 3.383 N/A GLY 101.A N HIS 96.A O no hydrogen 2.936 N/A SER 102.A OG TRP 97.A O no hydrogen 2.838 N/A GLY 103.A N ASN 99.A O no hydrogen 2.671 N/A LEU 105.A N SER 102.A O no hydrogen 3.153 N/A PHE 106.A N SER 102.A O no hydrogen 3.438 N/A ARG 107.A N GLY 103.A O no hydrogen 2.857 N/A ARG 107.A NE GLU 104.A OE2 no hydrogen 2.954 N/A ARG 107.A NH2 GLU 104.A OE2 no hydrogen 3.160 N/A ARG 108.A N LEU 105.A O no hydrogen 3.277 N/A MET 109.A N PHE 106.A O no hydrogen 3.258 N/A GLN 111.A N ARG 108.A O no hydrogen 2.828 N/A LEU 113.A N MET 109.A O no hydrogen 3.283 N/A ASN 117.A N PRO 114.A O no hydrogen 3.009 N/A ASN 117.A ND2 GLN 111.A O no hydrogen 2.783 N/A ARG 118.A N ASN 115.A O no hydrogen 2.828 N/A ARG 118.A NE VAL 112.A O no hydrogen 3.163 N/A ARG 118.A NH2 ASP 294.A O no hydrogen 3.360 N/A THR 119.A N ASN 117.A O no hydrogen 2.867 N/A LYS 121.A NZ GLN 124.A OE1 no hydrogen 3.271 N/A PHE 122.A N GLY 120.A O no hydrogen 2.967 N/A ARG 125.A N GLN 124.A OE1 no hydrogen 3.190 N/A ARG 125.A NE SER 102.A OG no hydrogen 3.342 N/A ARG 125.A NH2 SER 102.A OG no hydrogen 3.169 N/A ASP 126.A N GLY 101.A O no hydrogen 3.197 N/A ALA 129.A N ASP 126.A OD1 no hydrogen 2.843 N/A ILE 130.A N ASP 126.A O no hydrogen 2.861 N/A SER 131.A N ALA 127.A O no hydrogen 3.026 N/A TYR 132.A N GLY 128.A O no hydrogen 2.909 N/A ALA 133.A N ALA 129.A O no hydrogen 3.167 N/A CYS 134.A N ILE 130.A O no hydrogen 2.788 N/A ARG 135.A N SER 131.A O no hydrogen 3.246 N/A ILE 137.A N ALA 133.A O no hydrogen 2.916 N/A SER 138.A N CYS 134.A O no hydrogen 2.737 N/A GLU 139.A N ARG 135.A O no hydrogen 3.263 N/A ARG 140.A N GLU 136.A O no hydrogen 2.711 N/A ARG 140.A NH1 HIS 90.A O no hydrogen 2.885 N/A TYR 141.A N ILE 137.A O no hydrogen 3.019 N/A TYR 141.A OH HIS 91.A ND1 no hydrogen 2.804 N/A PHE 142.A N SER 138.A O no hydrogen 2.985 N/A PHE 146.A N PHE 142.A O no hydrogen 2.811 N/A TRP 147.A N ASP 143.A O no hydrogen 2.670 N/A ALA 148.A N PRO 144.A O no hydrogen 2.958 N/A ALA 149.A N ALA 145.A O no hydrogen 2.819 N/A VAL 150.A N PHE 146.A O no hydrogen 2.992 N/A ASP 151.A N TRP 147.A O no hydrogen 2.743 N/A GLY 152.A N ALA 148.A O no hydrogen 3.237 N/A GLY 152.A N ALA 149.A O no hydrogen 3.262 N/A LEU 153.A N VAL 150.A O no hydrogen 3.316 N/A TYR 155.A OH ASP 232.A O no hydrogen 2.535 N/A THR 158.A N ASP 232.A OD1 no hydrogen 3.231 N/A THR 158.A N ASP 232.A OD2 no hydrogen 3.144 N/A THR 158.A OG1 ASP 232.A OD2 no hydrogen 3.205 N/A THR 159.A N ASP 232.A OD1 no hydrogen 3.047 N/A THR 159.A OG1 THR 158.A O no hydrogen 2.966 N/A VAL 160.A N ARG 182.A O no hydrogen 3.145 N/A ALA 161.A N LEU 233.A O no hydrogen 3.007 N/A ASP 162.A N LEU 184.A O no hydrogen 2.887 N/A LEU 163.A N THR 235.A O no hydrogen 2.948 N/A GLY 164.A N VAL 186.A O no hydrogen 2.707 N/A SER 165.A N VAL 186.A O no hydrogen 3.200 N/A GLY 166.A N ASP 187.A OD2 no hydrogen 2.820 N/A GLY 168.A N SER 165.A O no hydrogen 3.020 N/A GLU 169.A N SER 167.A OG no hydrogen 3.320 N/A ARG 170.A NH2 SER 138.A OG no hydrogen 2.634 N/A ILE 172.A N GLY 168.A O no hydrogen 3.015 N/A GLN 173.A N GLU 169.A O no hydrogen 2.908 N/A GLN 173.A NE2 GLU 169.A OE2 no hydrogen 2.890 N/A ILE 174.A N ARG 170.A O no hydrogen 3.103 N/A ALA 175.A N LEU 171.A O no hydrogen 2.872 N/A ARG 176.A N ILE 172.A O no hydrogen 2.829 N/A ARG 177.A N GLN 173.A O no hydrogen 2.971 N/A ARG 177.A NH2 ASP 151.A OD1 no hydrogen 2.336 N/A PHE 178.A N ILE 174.A O no hydrogen 2.847 N/A VAL 181.A N PHE 178.A O no hydrogen 2.940 N/A ARG 182.A N THR 158.A O no hydrogen 2.920 N/A GLY 183.A N GLN 208.A O no hydrogen 2.811 N/A LEU 184.A N VAL 160.A O no hydrogen 2.861 N/A GLY 185.A N SER 210.A O no hydrogen 3.058 N/A VAL 186.A N ASP 162.A O no hydrogen 2.849 N/A ASP 187.A N VAL 212.A O no hydrogen 3.216 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 3.028 N/A ALA 192.A N ALA 189.A O no hydrogen 2.885 N/A ILE 193.A N ALA 189.A O no hydrogen 3.167 N/A ALA 194.A N ASP 190.A O no hydrogen 2.948 N/A MET 195.A N GLY 191.A O no hydrogen 3.260 N/A ALA 196.A N ALA 192.A O no hydrogen 2.808 N/A GLU 197.A N ILE 193.A O no hydrogen 2.882 N/A LYS 198.A N ALA 194.A O no hydrogen 3.021 N/A GLU 199.A N MET 195.A O no hydrogen 2.820 N/A VAL 200.A N ALA 196.A O no hydrogen 2.650 N/A ALA 201.A N GLU 197.A O no hydrogen 2.934 N/A ALA 202.A N LYS 198.A O no hydrogen 2.989 N/A LYS 203.A N GLU 199.A O no hydrogen 3.263 N/A GLY 204.A N ALA 201.A O no hydrogen 3.153 N/A PHE 205.A N VAL 200.A O no hydrogen 2.982 N/A ASP 207.A N ASP 207.A OD1 no hydrogen 2.500 N/A GLN 208.A N PHE 205.A O no hydrogen 3.254 N/A GLN 208.A NE2 VAL 181.A O no hydrogen 2.908 N/A ILE 209.A N PHE 205.A O no hydrogen 3.066 N/A SER 210.A N GLY 183.A O no hydrogen 3.096 N/A VAL 212.A N GLY 185.A O no hydrogen 2.893 N/A ARG 213.A NH1 ILE 188.A O no hydrogen 3.008 N/A GLY 214.A N ASP 187.A O no hydrogen 3.130 N/A ARG 217.A N ASP 215.A OD1 no hydrogen 2.827 N/A ARG 217.A NE ASP 215.A OD1 no hydrogen 3.278 N/A ARG 217.A NE ASP 215.A OD2 no hydrogen 3.052 N/A ARG 217.A NH2 ASP 215.A OD2 no hydrogen 2.709 N/A THR 218.A N ASP 215.A O no hydrogen 2.887 N/A THR 218.A OG1 ASP 215.A O no hydrogen 3.174 N/A ILE 219.A N ALA 216.A O no hydrogen 3.120 N/A GLN 221.A N THR 218.A O no hydrogen 2.804 N/A VAL 222.A N ILE 219.A O no hydrogen 3.162 N/A SER 223.A OG SER 223.A O no hydrogen 2.487 N/A ALA 224.A N VAL 222.A O no hydrogen 2.918 N/A PHE 228.A N ALA 224.A O no hydrogen 3.147 N/A ALA 229.A N ARG 225.A O no hydrogen 3.082 N/A GLU 230.A N GLU 227.A O no hydrogen 2.924 N/A VAL 231.A N PHE 228.A O no hydrogen 3.178 N/A ASP 232.A N THR 159.A O no hydrogen 2.852 N/A LEU 233.A N THR 159.A O no hydrogen 3.370 N/A LEU 234.A N ARG 265.A O no hydrogen 2.842 N/A THR 235.A N ALA 161.A O no hydrogen 2.790 N/A THR 235.A OG1 ALA 161.A O no hydrogen 3.383 N/A THR 235.A OG1 ASP 162.A OD1 no hydrogen 2.724 N/A CYS 236.A N LEU 267.A O no hydrogen 2.662 N/A MET 238.A N GLY 269.A O no hydrogen 2.659 N/A HIS 241.A N ASP 270.A OD2 no hydrogen 2.713 N/A HIS 241.A ND1 ASP 270.A OD2 no hydrogen 2.904 N/A ASP 242.A N MET 239.A O no hydrogen 2.840 N/A PHE 243.A N GLY 240.A O no hydrogen 2.863 N/A TRP 244.A N HIS 241.A O no hydrogen 3.048 N/A ARG 246.A NH1 GLU 312.A OE1 no hydrogen 3.218 N/A ARG 246.A NH1 GLU 312.A OE2 no hydrogen 2.986 N/A ARG 246.A NH2 GLU 312.A OE2 no hydrogen 2.931 N/A CYS 249.A N PRO 245.A O no hydrogen 3.101 N/A VAL 250.A N ARG 246.A O no hydrogen 2.964 N/A GLN 251.A N GLU 247.A O no hydrogen 3.171 N/A THR 252.A N ASN 248.A O no hydrogen 2.918 N/A THR 252.A OG1 ASN 248.A O no hydrogen 2.913 N/A LEU 253.A N CYS 249.A O no hydrogen 2.720 N/A ARG 254.A N VAL 250.A O no hydrogen 3.047 N/A ARG 254.A NE GLU 312.A O no hydrogen 2.523 N/A ARG 254.A NH2 GLU 312.A O no hydrogen 3.051 N/A LYS 255.A N GLN 251.A O no hydrogen 2.903 N/A LYS 255.A NZ ASP 220.A OD2 no hydrogen 3.174 N/A LEU 256.A N THR 252.A O no hydrogen 2.872 N/A ARG 257.A N LEU 253.A O no hydrogen 3.029 N/A ARG 257.A NH1 VAL 263.A O no hydrogen 3.214 N/A ARG 257.A NH2 VAL 263.A O no hydrogen 3.305 N/A ARG 257.A NH2 GLU 335.A OXT no hydrogen 3.406 N/A ALA 258.A N ARG 254.A O no hydrogen 3.101 N/A ALA 259.A N LYS 255.A O no hydrogen 2.896 N/A PHE 260.A N LEU 256.A O no hydrogen 3.014 N/A VAL 263.A N PHE 260.A O no hydrogen 3.177 N/A ARG 264.A N ASP 232.A O no hydrogen 2.915 N/A ARG 265.A N TYR 155.A OH no hydrogen 3.068 N/A ARG 265.A NE GLU 335.A OE1 no hydrogen 2.721 N/A ARG 265.A NH1 GLY 152.A O no hydrogen 3.538 N/A ARG 265.A NH2 GLU 335.A OE1 no hydrogen 3.267 N/A PHE 266.A N LEU 334.A O no hydrogen 2.829 N/A LEU 267.A N LEU 234.A O no hydrogen 2.664 N/A LEU 268.A N PHE 332.A O no hydrogen 3.055 N/A GLY 269.A N CYS 236.A O no hydrogen 2.965 N/A ASP 270.A N VAL 330.A O no hydrogen 3.020 N/A ALA 271.A N ASP 270.A OD1 no hydrogen 2.920 N/A THR 272.A N VAL 328.A O no hydrogen 3.040 N/A THR 272.A OG1 VAL 328.A O no hydrogen 2.622 N/A ARG 273.A N PRO 301.A O no hydrogen 3.069 N/A ARG 273.A NH1 LEU 300.A O no hydrogen 3.201 N/A ARG 273.A NH2 ASP 294.A OD1 no hydrogen 2.693 N/A THR 274.A N GLU 290.A OE2 no hydrogen 2.789 N/A THR 274.A OG1 GLU 290.A OE1 no hydrogen 3.562 N/A THR 274.A OG1 GLU 290.A OE2 no hydrogen 2.666 N/A GLU 281.A N PRO 278.A O no hydrogen 2.914 N/A THR 286.A N VAL 284.A O no hydrogen 3.061 N/A THR 286.A OG1 SER 327.A OG no hydrogen 2.872 N/A PHE 289.A N PHE 285.A O no hydrogen 2.722 N/A GLU 290.A N THR 286.A O no hydrogen 2.934 N/A PHE 291.A N LEU 287.A O no hydrogen 2.739 N/A GLY 292.A N GLY 288.A O no hydrogen 2.828 N/A HIS 293.A N PHE 289.A O no hydrogen 3.080 N/A HIS 293.A ND1 PHE 289.A O no hydrogen 2.799 N/A ASP 294.A N GLU 290.A O no hydrogen 2.977 N/A MET 295.A N PHE 291.A O no hydrogen 2.972 N/A MET 296.A N GLY 292.A O no hydrogen 3.007 N/A GLY 297.A N ASP 294.A O no hydrogen 3.209 N/A VAL 298.A N HIS 293.A O no hydrogen 3.063 N/A TYR 299.A OH GLU 305.A OE2 no hydrogen 2.534 N/A THR 302.A N GLU 305.A OE1 no hydrogen 2.722 N/A GLU 305.A N THR 302.A OG1 no hydrogen 3.060 N/A TRP 306.A N THR 302.A O no hydrogen 3.105 N/A ASP 307.A N LEU 303.A O no hydrogen 2.858 N/A GLY 308.A N ASP 304.A O no hydrogen 2.824 N/A VAL 309.A N TRP 306.A O no hydrogen 2.934 N/A GLY 313.A N VAL 309.A O no hydrogen 3.032 N/A GLY 314.A N GLU 311.A O no hydrogen 2.930 N/A TRP 315.A N PHE 310.A O no hydrogen 2.807 N/A TRP 315.A NE1 LEU 253.A O no hydrogen 2.911 N/A ARG 316.A N GLU 335.A O no hydrogen 2.646 N/A ARG 316.A NH1 GLU 335.A OE2 no hydrogen 3.152 N/A CYS 317.A SG LYS 319.A O no hydrogen 3.708 N/A CYS 317.A SG GLU 333.A O no hydrogen 4.032 N/A VAL 318.A N GLU 333.A O no hydrogen 2.962 N/A LYS 319.A N GLU 333.A O no hydrogen 3.407 N/A LYS 319.A NZ GLY 152.A O no hydrogen 3.111 N/A LYS 320.A NZ ASP 307.A OD1 no hydrogen 2.937 N/A HIS 321.A N VAL 331.A O no hydrogen 2.904 N/A HIS 321.A NE2 GLU 333.A OE2 no hydrogen 2.665 N/A ILE 323.A N SER 329.A O no hydrogen 2.906 N/A SER 327.A OG THR 286.A OG1 no hydrogen 2.872 N/A SER 329.A OG ASP 270.A O no hydrogen 3.504 N/A SER 329.A OG LEU 326.A O no hydrogen 2.943 N/A VAL 330.A N ASP 270.A O no hydrogen 3.073 N/A VAL 331.A N HIS 321.A O no hydrogen 3.096 N/A PHE 332.A N LEU 268.A O no hydrogen 2.719 N/A GLU 333.A N LYS 319.A O no hydrogen 2.669 N/A LEU 334.A N PHE 266.A O no hydrogen 2.777 N/A GLU 335.A N ARG 316.A O no hydrogen 2.763 N/A