Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG PRO 3.A O no hydrogen 3.127 N/A GLY 6.A N HIS 204.A O no hydrogen 2.923 N/A ILE 8.A N GLY 206.A O no hydrogen 2.968 N/A LEU 11.A N PHE 42.A O no hydrogen 2.886 N/A VAL 12.A N ASN 212.A OD1 no hydrogen 3.313 N/A THR 13.A OG1 GLY 48.A O no hydrogen 2.672 N/A LEU 16.A N VAL 20.A O no hydrogen 2.829 N/A ASP 17.A N VAL 20.A O no hydrogen 3.460 N/A VAL 20.A N ASP 17.A O no hydrogen 3.118 N/A ASP 22.A N PRO 14.A O no hydrogen 2.900 N/A GLY 25.A N ASP 22.A OD1 no hydrogen 2.968 N/A LEU 26.A N ASP 22.A O no hydrogen 2.947 N/A GLN 27.A N VAL 23.A O no hydrogen 2.996 N/A ARG 28.A N GLU 24.A O no hydrogen 3.069 N/A ARG 28.A NE ILE 270.A O no hydrogen 2.947 N/A LEU 29.A N GLY 25.A O no hydrogen 2.768 N/A ILE 30.A N LEU 26.A O no hydrogen 2.891 N/A GLU 31.A N GLN 27.A O no hydrogen 2.980 N/A HIS 32.A N ARG 28.A O no hydrogen 2.956 N/A HIS 32.A NE2 MET 213.A O no hydrogen 2.946 N/A LEU 33.A N LEU 29.A O no hydrogen 2.957 N/A ILE 34.A N ILE 30.A O no hydrogen 2.989 N/A ALA 35.A N GLU 31.A O no hydrogen 2.987 N/A GLY 36.A N HIS 32.A O no hydrogen 3.077 N/A GLY 37.A N ILE 34.A O no hydrogen 3.017 N/A VAL 38.A N LEU 33.A O no hydrogen 3.377 N/A HIS 39.A N ILE 7.A O no hydrogen 2.915 N/A LEU 41.A N PRO 74.A O no hydrogen 2.994 N/A PHE 42.A N PRO 9.A O no hydrogen 3.048 N/A VAL 43.A N LEU 76.A O no hydrogen 2.829 N/A THR 47.A OG1 TYR 257.A OH no hydrogen 2.710 N/A GLY 48.A N GLY 45.A O no hydrogen 2.947 N/A GLU 49.A N THR 46.A O no hydrogen 2.976 N/A SER 52.A N GLU 49.A O no hydrogen 3.133 N/A SER 52.A OG GLU 49.A O no hydrogen 3.369 N/A LEU 53.A N SER 50.A O no hydrogen 3.236 N/A SER 54.A OG ASP 19.A OD1 no hydrogen 2.590 N/A TYR 55.A OH GLU 86.A O no hydrogen 2.741 N/A LYS 56.A NZ ASP 19.A OD2 no hydrogen 3.318 N/A LEU 57.A N SER 54.A OG no hydrogen 3.093 N/A ARG 58.A N SER 54.A O no hydrogen 3.028 N/A ARG 58.A NH1 ASP 81.A OD2 no hydrogen 2.891 N/A ARG 58.A NH2 ASP 81.A OD2 no hydrogen 3.018 N/A MET 59.A N TYR 55.A O no hydrogen 2.996 N/A GLU 60.A N LYS 56.A O no hydrogen 2.931 N/A MET 61.A N LEU 57.A O no hydrogen 2.933 N/A ILE 62.A N ARG 58.A O no hydrogen 3.160 N/A LYS 63.A N MET 59.A O no hydrogen 2.969 N/A ASN 64.A N GLU 60.A O no hydrogen 2.916 N/A ASN 64.A ND2 GLU 60.A O no hydrogen 2.995 N/A THR 65.A N MET 61.A O no hydrogen 2.955 N/A THR 65.A OG1 MET 61.A O no hydrogen 2.787 N/A CYS 66.A N ILE 62.A O no hydrogen 3.070 N/A CYS 66.A SG ILE 62.A O no hydrogen 3.355 N/A ARG 67.A N LYS 63.A O no hydrogen 2.970 N/A ARG 67.A NH2 ASN 64.A OD1 no hydrogen 2.758 N/A ILE 68.A N ASN 64.A O no hydrogen 2.890 N/A ALA 69.A N THR 65.A O no hydrogen 2.962 N/A LYS 70.A N CYS 66.A O no hydrogen 3.234 N/A LYS 70.A NZ ILE 68.A O no hydrogen 2.876 N/A ARG 72.A N ALA 69.A O no hydrogen 3.024 N/A ARG 72.A NE ALA 69.A O no hydrogen 3.008 N/A ARG 72.A NH1 GLU 31.A OE1 no hydrogen 2.941 N/A ARG 72.A NH1 GLU 31.A OE2 no hydrogen 3.314 N/A ARG 72.A NH2 GLU 31.A OE2 no hydrogen 2.792 N/A ARG 72.A NH2 ILE 68.A O no hydrogen 2.848 N/A VAL 75.A N ASP 100.A OD1 no hydrogen 2.908 N/A LEU 76.A N LEU 41.A O no hydrogen 2.800 N/A VAL 77.A N ALA 101.A O no hydrogen 2.991 N/A CYS 78.A N VAL 43.A O no hydrogen 2.862 N/A CYS 78.A SG SER 80.A OG no hydrogen 3.622 N/A CYS 78.A SG VAL 103.A O no hydrogen 3.890 N/A CYS 78.A SG TYR 135.A OH no hydrogen 3.141 N/A ILE 79.A N VAL 103.A O no hydrogen 2.938 N/A SER 80.A OG TYR 135.A OH no hydrogen 2.773 N/A SER 83.A N ASP 81.A OD1 no hydrogen 2.889 N/A GLU 86.A N SER 83.A OG no hydrogen 3.146 N/A SER 87.A N SER 83.A O no hydrogen 2.915 N/A SER 87.A OG ILE 79.A O no hydrogen 2.638 N/A VAL 88.A N ILE 84.A O no hydrogen 2.906 N/A ASN 89.A N VAL 85.A O no hydrogen 3.071 N/A ASN 89.A ND2 TYR 55.A OH no hydrogen 2.740 N/A LEU 90.A N GLU 86.A O no hydrogen 3.044 N/A ALA 91.A N SER 87.A O no hydrogen 3.044 N/A CYS 92.A N VAL 88.A O no hydrogen 2.962 N/A CYS 92.A SG VAL 88.A O no hydrogen 3.419 N/A LEU 93.A N ASN 89.A O no hydrogen 3.047 N/A ALA 94.A N LEU 90.A O no hydrogen 2.800 N/A ALA 95.A N ALA 91.A O no hydrogen 2.900 N/A ASP 96.A N CYS 92.A O no hydrogen 2.916 N/A HIS 97.A N LEU 93.A O no hydrogen 3.081 N/A HIS 97.A N ALA 94.A O no hydrogen 3.264 N/A GLY 98.A N ALA 95.A O no hydrogen 3.050 N/A ALA 99.A N ALA 94.A O no hydrogen 2.984 N/A ASP 100.A N VAL 75.A O no hydrogen 2.846 N/A ALA 101.A N VAL 75.A O no hydrogen 3.290 N/A VAL 102.A N PRO 131.A O no hydrogen 2.992 N/A VAL 103.A N VAL 77.A O no hydrogen 2.805 N/A SER 104.A N PHE 133.A O no hydrogen 2.906 N/A SER 104.A OG TYR 121.A OH no hydrogen 3.171 N/A ALA 105.A N SER 80.A OG no hydrogen 2.890 N/A TYR 109.A OH THR 82.A O no hydrogen 2.774 N/A PHE 110.A N PRO 107.A O no hydrogen 3.083 N/A GLN 114.A NE2 ASN 144.A O no hydrogen 2.913 N/A GLU 116.A N GLU 116.A OE2 no hydrogen 2.981 N/A LEU 117.A N GLY 113.A O no hydrogen 3.276 N/A ILE 118.A N GLN 114.A O no hydrogen 3.124 N/A GLU 119.A N PRO 115.A O no hydrogen 3.132 N/A PHE 120.A N GLU 116.A O no hydrogen 2.961 N/A TYR 121.A N LEU 117.A O no hydrogen 3.305 N/A TYR 121.A OH SER 104.A O no hydrogen 2.917 N/A TYR 121.A OH SER 104.A OG no hydrogen 3.171 N/A GLU 122.A N ILE 118.A O no hydrogen 2.914 N/A HIS 123.A N GLU 119.A O no hydrogen 2.987 N/A LEU 124.A N PHE 120.A O no hydrogen 2.948 N/A LEU 125.A N TYR 121.A O no hydrogen 2.902 N/A GLN 127.A N LEU 124.A O no hydrogen 2.886 N/A GLN 127.A NE2 HIS 123.A O no hydrogen 3.020 N/A LEU 128.A N LEU 125.A O no hydrogen 3.102 N/A LEU 132.A N GLY 158.A O no hydrogen 2.771 N/A PHE 133.A N VAL 102.A O no hydrogen 2.793 N/A LEU 134.A N GLY 161.A O no hydrogen 2.946 N/A TYR 135.A N SER 104.A O no hydrogen 2.989 N/A TYR 135.A OH SER 80.A OG no hydrogen 2.773 N/A ASN 136.A N LYS 163.A O no hydrogen 3.244 N/A ASN 136.A ND2 ASP 164.A OD1 no hydrogen 3.420 N/A THR 141.A OG1 VAL 143.A O no hydrogen 3.053 N/A VAL 143.A N THR 141.A OG1 no hydrogen 3.113 N/A PHE 145.A N ASN 136.A OD1 no hydrogen 3.242 N/A ALA 146.A N GLN 114.A OE1 no hydrogen 2.868 N/A THR 149.A OG1 GLN 114.A OE1 no hydrogen 2.387 N/A ILE 150.A N ALA 146.A O no hydrogen 3.095 N/A GLN 151.A N PRO 147.A O no hydrogen 3.014 N/A ARG 152.A N ALA 148.A O no hydrogen 2.908 N/A ILE 153.A N THR 149.A O no hydrogen 2.948 N/A ALA 154.A N ILE 150.A O no hydrogen 2.967 N/A ASN 156.A N ILE 153.A O no hydrogen 3.135 N/A GLY 158.A N ASN 156.A OD1 no hydrogen 2.684 N/A VAL 159.A N ASN 156.A O no hydrogen 3.105 N/A ILE 160.A N LEU 132.A O no hydrogen 2.786 N/A PHE 162.A N SER 186.A O no hydrogen 2.781 N/A LYS 163.A N LEU 134.A O no hydrogen 2.928 N/A ASP 164.A N LEU 188.A O no hydrogen 2.948 N/A SER 166.A N.A ASP 164.A OD1 no hydrogen 3.136 N/A SER 166.A N.B ASP 164.A OD1 no hydrogen 3.075 N/A SER 166.A OG.A ASP 164.A OD1 no hydrogen 3.049 N/A SER 166.A OG.A ASP 164.A OD2 no hydrogen 2.858 N/A SER 166.A OG.B ASP 164.A OD1 no hydrogen 3.102 N/A SER 166.A OG.B ASP 164.A OD2 no hydrogen 2.674 N/A ASN 168.A N SER 166.A OG.A no hydrogen 3.297 N/A ASN 168.A N SER 166.A OG.B no hydrogen 3.115 N/A TYR 171.A N ASN 168.A OD1 no hydrogen 2.839 N/A TYR 171.A OH PHE 145.A O no hydrogen 2.426 N/A PHE 172.A N ASN 168.A O no hydrogen 3.085 N/A GLN 173.A N THR 169.A O no hydrogen 3.037 N/A SER 174.A N VAL 170.A O no hydrogen 2.978 N/A SER 174.A OG VAL 170.A O no hydrogen 3.019 N/A VAL 175.A N TYR 171.A O no hydrogen 3.158 N/A MET 176.A N PHE 172.A O no hydrogen 2.938 N/A TYR 177.A N GLN 173.A O no hydrogen 2.889 N/A ALA 178.A N SER 174.A O no hydrogen 3.080 N/A MET 179.A N VAL 175.A O no hydrogen 2.857 N/A MET 179.A N MET 176.A O no hydrogen 2.988 N/A LYS 180.A N TYR 177.A O no hydrogen 3.341 N/A ASN 182.A N MET 179.A O no hydrogen 2.978 N/A PHE 185.A N ASN 182.A O no hydrogen 3.116 N/A SER 186.A N ILE 160.A O no hydrogen 2.952 N/A SER 186.A OG LEU 4.A O no hydrogen 2.635 N/A MET 187.A N HIS 204.A ND1 no hydrogen 3.050 N/A LEU 188.A N PHE 162.A O no hydrogen 2.835 N/A VAL 189.A N.A GLY 205.A O no hydrogen 3.050 N/A VAL 189.A N.B GLY 205.A O no hydrogen 3.029 N/A GLY 190.A N ASP 164.A O no hydrogen 2.913 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.743 N/A ILE 194.A N PRO 191.A O no hydrogen 3.370 N/A MET 195.A N GLU 192.A O no hydrogen 3.311 N/A SER 198.A N ILE 194.A O no hydrogen 3.044 N/A SER 198.A OG ILE 194.A O no hydrogen 2.563 N/A VAL 199.A N MET 195.A O no hydrogen 2.788 N/A LEU 200.A N ALA 196.A O no hydrogen 2.965 N/A LEU 201.A N SER 198.A O no hydrogen 3.229 N/A GLY 202.A N VAL 199.A O no hydrogen 2.693 N/A ALA 203.A N SER 198.A O no hydrogen 2.969 N/A HIS 204.A N MET 187.A O no hydrogen 2.802 N/A GLY 206.A N GLY 6.A O no hydrogen 2.893 N/A VAL 207.A N VAL 189.A O.A no hydrogen 2.920 N/A VAL 207.A N VAL 189.A O.B no hydrogen 2.840 N/A ASN 208.A ND2 VAL 189.A O.A no hydrogen 3.684 N/A ASN 208.A ND2 GLY 190.A O no hydrogen 2.924 N/A GLY 210.A N GLU 192.A OE2 no hydrogen 2.828 N/A ALA 211.A N ASN 208.A O no hydrogen 2.966 N/A ASN 212.A N GLY 209.A O no hydrogen 3.015 N/A ASN 212.A ND2 PRO 10.A O no hydrogen 2.870 N/A ASN 212.A ND2 GLY 209.A O no hydrogen 2.893 N/A MET 213.A N GLY 210.A O no hydrogen 3.000 N/A PHE 214.A N GLY 210.A O no hydrogen 3.159 N/A TYR 218.A N PHE 214.A O no hydrogen 3.470 N/A TYR 218.A OH GLU 192.A OE1 no hydrogen 2.849 N/A VAL 219.A N PRO 215.A O no hydrogen 2.944 N/A SER 220.A N GLU 216.A O no hydrogen 2.857 N/A SER 220.A OG GLU 216.A O no hydrogen 2.924 N/A LEU 221.A N LEU 217.A O no hydrogen 2.980 N/A TYR 222.A N TYR 218.A O no hydrogen 2.872 N/A TYR 222.A OH HIS 204.A O no hydrogen 3.332 N/A ASN 223.A N VAL 219.A O no hydrogen 3.042 N/A ALA 224.A N SER 220.A O no hydrogen 3.058 N/A ALA 225.A N LEU 221.A O no hydrogen 2.852 N/A LYS 226.A N TYR 222.A O no hydrogen 2.862 N/A ASN 227.A N ASN 223.A O no hydrogen 3.009 N/A ALA 228.A N ALA 225.A O no hydrogen 3.164 N/A ASP 229.A N ALA 224.A O no hydrogen 2.852 N/A VAL 233.A N ASP 229.A O no hydrogen 2.868 N/A ARG 234.A N MET 230.A O no hydrogen 2.906 N/A ARG 235.A N GLU 231.A O no hydrogen 2.972 N/A ARG 235.A NE GLU 232.A OE1 no hydrogen 3.135 N/A ARG 235.A NH2 GLU 232.A OE2 no hydrogen 2.524 N/A LEU 236.A N GLU 232.A O no hydrogen 2.935 N/A GLN 237.A N VAL 233.A O no hydrogen 2.736 N/A GLN 237.A NE2 GLU 193.A O no hydrogen 2.917 N/A GLU 238.A N ARG 234.A O no hydrogen 3.251 N/A VAL 240.A N LEU 236.A O no hydrogen 2.966 N/A MET 241.A N GLN 237.A O no hydrogen 2.730 N/A GLN 242.A N GLU 238.A O no hydrogen 2.922 N/A GLN 242.A NE2 ASN 296.A O no hydrogen 3.418 N/A ILE 243.A N LYS 239.A O no hydrogen 2.982 N/A SER 244.A N VAL 240.A O no hydrogen 3.056 N/A SER 244.A OG GLU 193.A OE2 no hydrogen 2.702 N/A ALA 245.A N MET 241.A O no hydrogen 2.945 N/A THR 246.A N GLN 242.A O no hydrogen 2.932 N/A THR 246.A N ILE 243.A O no hydrogen 3.240 N/A THR 246.A OG1 GLN 242.A O no hydrogen 2.645 N/A ILE 247.A N ILE 243.A O no hydrogen 2.694 N/A TYR 248.A OH GLU 192.A OE1 no hydrogen 2.564 N/A THR 249.A OG1 ALA 245.A O no hydrogen 2.555 N/A SER 256.A N HIS 253.A O no hydrogen 3.440 N/A SER 256.A OG TYR 248.A O no hydrogen 2.995 N/A SER 256.A OG HIS 253.A O no hydrogen 2.869 N/A TYR 257.A OH THR 47.A OG1 no hydrogen 2.710 N/A LYS 259.A N SER 255.A O no hydrogen 3.067 N/A GLY 260.A N SER 256.A O no hydrogen 2.968 N/A LEU 261.A N TYR 257.A O no hydrogen 2.951 N/A LYS 262.A N LEU 258.A O no hydrogen 2.942 N/A LYS 262.A NZ THR 13.A O no hydrogen 2.746 N/A LYS 262.A NZ GLU 49.A OE2 no hydrogen 2.600 N/A LYS 262.A NZ TYR 274.A O no hydrogen 2.955 N/A CYS 263.A N LYS 259.A O no hydrogen 2.903 N/A ALA 264.A N GLY 260.A O no hydrogen 2.808 N/A LEU 265.A N LEU 261.A O no hydrogen 2.902 N/A SER 266.A N LYS 262.A O no hydrogen 3.082 N/A LEU 267.A N CYS 263.A O no hydrogen 2.937 N/A LEU 268.A N ALA 264.A O no hydrogen 2.817 N/A GLY 269.A N SER 266.A O no hydrogen 2.971 N/A ILE 270.A N LEU 265.A O no hydrogen 2.967 N/A CYS 271.A SG SER 272.A O no hydrogen 3.685 N/A SER 272.A N ASP 22.A OD2 no hydrogen 3.078 N/A SER 272.A OG LEU 15.A O no hydrogen 2.643 N/A TYR 274.A N SER 272.A OG no hydrogen 3.002 N/A TYR 274.A OH ASP 18.A OD1 no hydrogen 3.321 N/A ALA 276.A N GLU 49.A OE1 no hydrogen 3.038 N/A ALA 277.A N ASP 18.A OD1 no hydrogen 2.827 N/A PHE 279.A N ALA 276.A O no hydrogen 3.121 N/A ARG 287.A N GLU 283.A O no hydrogen 2.861 N/A ARG 287.A NH1 SER 266.A OG no hydrogen 3.218 N/A ARG 287.A NH2 SER 266.A OG no hydrogen 3.261 N/A GLY 288.A N GLN 284.A O no hydrogen 2.785 N/A LYS 289.A N ARG 285.A O no hydrogen 3.122 N/A ILE 290.A N GLU 286.A O no hydrogen 2.891 N/A TRP 291.A N ARG 287.A O no hydrogen 2.943 N/A LYS 292.A N GLY 288.A O no hydrogen 3.100 N/A ALA 293.A N LYS 289.A O no hydrogen 2.986 N/A LEU 294.A N ILE 290.A O no hydrogen 2.902 N/A GLN 295.A N TRP 291.A O no hydrogen 2.857 N/A ASN 296.A N LYS 292.A O no hydrogen 3.026 N/A LEU 297.A N ALA 293.A O no hydrogen 3.102 N/A LEU 297.A N LEU 294.A O no hydrogen 3.153 N/A GLY 298.A N LEU 294.A O no hydrogen 3.099 N/A