Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k9y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 75.A O no hydrogen 3.043 N/A ARG 5.A NH1 GLU 78.A O no hydrogen 2.819 N/A ARG 5.A NH1 PRO 80.A O no hydrogen 2.965 N/A ARG 5.A NH2 PRO 80.A O no hydrogen 2.828 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.893 N/A ARG 7.A N GLN 4.A O no hydrogen 3.134 N/A ARG 7.A NE GLN 4.A OE1 no hydrogen 3.280 N/A ARG 7.A NH2 MET 28.A O no hydrogen 2.789 N/A ILE 8.A N ARG 5.A O no hydrogen 3.005 N/A GLU 9.A N ILE 26.A O no hydrogen 2.780 N/A GLY 11.A N GLN 24.A O no hydrogen 2.777 N/A ARG 12.A NE GLN 24.A OE1 no hydrogen 3.267 N/A CYS 13.A SG GLY 15.A O no hydrogen 3.371 N/A CYS 13.A SG VAL 22.A O no hydrogen 3.548 N/A ILE 14.A N VAL 22.A O no hydrogen 2.838 N/A GLY 15.A N VAL 22.A O no hydrogen 3.221 N/A VAL 22.A N GLY 15.A O no hydrogen 2.936 N/A HIS 23.A N ILE 39.A O no hydrogen 2.836 N/A HIS 23.A ND1 GLY 11.A O no hydrogen 2.900 N/A GLN 24.A N ARG 12.A O no hydrogen 3.008 N/A GLY 25.A N VAL 37.A O no hydrogen 2.799 N/A ILE 26.A N GLU 9.A O no hydrogen 2.957 N/A TYR 27.A N LEU 35.A O no hydrogen 2.891 N/A MET 28.A N ARG 7.A O no hydrogen 2.818 N/A SER 29.A OG.C TYR 27.A O no hydrogen 3.505 N/A SER 29.A OG.C ASN 32.A O no hydrogen 3.428 N/A SER 29.A OG.C PRO 33.A O no hydrogen 3.506 N/A GLU 31.A N SER 29.A OG.A no hydrogen 3.268 N/A GLU 31.A N SER 29.A OG.B no hydrogen 2.843 N/A ASN 32.A N SER 29.A OG.A no hydrogen 3.091 N/A ASN 32.A N SER 29.A OG.B no hydrogen 2.796 N/A LEU 35.A N TYR 27.A O no hydrogen 3.151 N/A VAL 37.A N GLY 25.A O no hydrogen 2.879 N/A ALA 38.A N MET 85.A O no hydrogen 2.913 N/A ILE 39.A N HIS 23.A O no hydrogen 2.697 N/A LYS 40.A N ILE 83.A O no hydrogen 2.955 N/A LYS 40.A NZ GLU 57.A OE1 no hydrogen 2.717 N/A LYS 40.A NZ TYR 156.A OH no hydrogen 2.908 N/A THR 41.A N ASP 21.A O no hydrogen 3.084 N/A THR 41.A OG1 ASP 21.A O no hydrogen 2.718 N/A LYS 43.A N PHE 19.A O no hydrogen 2.830 N/A SER 47.A N ASN 44.A O no hydrogen 3.083 N/A ARG 51.A N SER 47.A O no hydrogen 3.007 N/A ARG 51.A NH1 ASP 48.A OD1 no hydrogen 2.807 N/A ARG 51.A NH2 CYS 45.A O no hydrogen 3.326 N/A ARG 51.A NH2 ASP 48.A OD1 no hydrogen 2.917 N/A GLU 52.A N ASP 48.A O no hydrogen 3.041 N/A LYS 53.A N SER 49.A O no hydrogen 3.213 N/A LYS 53.A NZ TYR 156.A O no hydrogen 3.002 N/A PHE 54.A N VAL 50.A O no hydrogen 2.934 N/A LEU 55.A N ARG 51.A O no hydrogen 2.956 N/A GLN 56.A N LYS 53.A O no hydrogen 3.435 N/A GLU 57.A N PHE 54.A O no hydrogen 3.439 N/A LEU 59.A N LEU 55.A O no hydrogen 3.008 N/A THR 60.A N GLN 56.A O no hydrogen 3.048 N/A THR 60.A OG1 GLN 56.A O no hydrogen 3.145 N/A MET 61.A N GLU 57.A O no hydrogen 3.006 N/A ARG 62.A N ALA 58.A O no hydrogen 2.944 N/A GLN 63.A N THR 60.A O no hydrogen 3.396 N/A PHE 64.A N MET 61.A O no hydrogen 3.125 N/A ASP 65.A N TYR 122.A OH no hydrogen 2.931 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 2.898 N/A HIS 68.A ND1 VAL 146.A O no hydrogen 2.838 N/A ILE 69.A N HIS 66.A O no hydrogen 3.289 N/A VAL 70.A N LEU 148.A O no hydrogen 2.954 N/A LYS 71.A N GLU 86.A OE2 no hydrogen 2.786 N/A LYS 71.A NZ ASP 65.A OD1 no hydrogen 2.780 N/A ILE 73.A N ILE 84.A O no hydrogen 2.723 N/A GLY 74.A N ILE 84.A O no hydrogen 3.044 N/A VAL 75.A N TYR 1.A O no hydrogen 2.932 N/A ILE 76.A N TRP 82.A O no hydrogen 2.907 N/A THR 77.A N GLU 2.A OE2 no hydrogen 2.940 N/A THR 77.A OG1 GLU 2.A OE1 no hydrogen 2.694 N/A THR 77.A OG1 GLU 2.A OE2 no hydrogen 3.266 N/A TRP 82.A N ILE 76.A O no hydrogen 3.116 N/A ILE 83.A N LYS 40.A O no hydrogen 2.949 N/A ILE 84.A N GLY 74.A O no hydrogen 2.737 N/A MET 85.A N ALA 38.A O no hydrogen 3.001 N/A GLU 86.A N LYS 71.A O no hydrogen 2.998 N/A LEU 87.A N ALA 36.A O no hydrogen 3.233 N/A CYS 88.A SG SER 141.A OG no hydrogen 3.542 N/A THR 89.A OG1 SER 141.A O no hydrogen 3.331 N/A LEU 90.A N VAL 140.A O no hydrogen 2.939 N/A GLY 91.A N CYS 88.A O no hydrogen 3.194 N/A LEU 93.A N VAL 138.A O no hydrogen 2.988 N/A ARG 94.A NE GLY 205.A O no hydrogen 3.106 N/A ARG 94.A NH2 GLY 205.A O no hydrogen 2.845 N/A PHE 96.A N GLU 92.A O no hydrogen 3.285 N/A LEU 97.A N LEU 93.A O no hydrogen 2.952 N/A GLN 98.A N ARG 94.A O no hydrogen 3.041 N/A GLN 98.A NE2 GLY 205.A O no hydrogen 2.805 N/A VAL 99.A N SER 95.A O no hydrogen 2.992 N/A ARG 100.A N PHE 96.A O no hydrogen 3.137 N/A SER 103.A N ARG 100.A O no hydrogen 2.964 N/A LEU 104.A N ARG 100.A O no hydrogen 2.953 N/A SER 108.A N ASP 105.A O no hydrogen 2.943 N/A LEU 109.A N ASP 105.A O no hydrogen 3.393 N/A ILE 110.A N LEU 106.A O no hydrogen 3.024 N/A LEU 111.A N ALA 107.A O no hydrogen 2.983 N/A TYR 112.A N SER 108.A O no hydrogen 3.045 N/A TYR 112.A OH ASN 143.A O no hydrogen 2.655 N/A ALA 113.A N LEU 109.A O no hydrogen 3.185 N/A TYR 114.A N ILE 110.A O no hydrogen 2.809 N/A GLN 115.A N LEU 111.A O no hydrogen 2.848 N/A GLN 115.A NE2 ASP 144.A O no hydrogen 2.828 N/A LEU 116.A N TYR 112.A O no hydrogen 3.077 N/A SER 117.A N ALA 113.A O no hydrogen 3.001 N/A SER 117.A OG TYR 114.A O no hydrogen 2.675 N/A THR 118.A N TYR 114.A O no hydrogen 3.109 N/A THR 118.A N GLN 115.A O no hydrogen 3.150 N/A THR 118.A OG1 GLN 115.A O no hydrogen 2.732 N/A ALA 119.A N GLN 115.A O no hydrogen 3.199 N/A LEU 120.A N LEU 116.A O no hydrogen 2.909 N/A ALA 121.A N SER 117.A O no hydrogen 2.876 N/A TYR 122.A N THR 118.A O no hydrogen 2.985 N/A LEU 123.A N ALA 119.A O no hydrogen 2.968 N/A GLU 124.A N LEU 120.A O no hydrogen 2.934 N/A SER 125.A N ALA 121.A O no hydrogen 3.008 N/A SER 125.A OG TYR 122.A O no hydrogen 2.565 N/A LYS 126.A N TYR 122.A O no hydrogen 3.311 N/A LYS 126.A N LEU 123.A O no hydrogen 2.943 N/A ARG 127.A N GLU 124.A O no hydrogen 2.873 N/A PHE 128.A N LEU 123.A O no hydrogen 2.965 N/A HIS 130.A N ASP 190.A OD2 no hydrogen 2.790 N/A HIS 130.A NE2 GLY 149.A O no hydrogen 2.842 N/A ARG 131.A N ASP 190.A OD1 no hydrogen 3.062 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.054 N/A ALA 135.A N GLU 200.A OE1 no hydrogen 2.946 N/A ARG 136.A NE ASP 132.A OD2 no hydrogen 3.119 N/A ARG 136.A NH2 ASP 132.A OD1 no hydrogen 2.777 N/A ASN 137.A N ALA 134.A O no hydrogen 2.895 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.743 N/A ASN 137.A ND2 ASP 132.A OD2 no hydrogen 2.818 N/A VAL 138.A N ALA 135.A O no hydrogen 3.031 N/A LEU 139.A N LYS 147.A O no hydrogen 2.807 N/A VAL 140.A N GLY 91.A O no hydrogen 2.789 N/A SER 141.A N CYS 145.A O no hydrogen 2.877 N/A SER 142.A N CYS 145.A O no hydrogen 3.221 N/A SER 142.A OG ASP 144.A OD1 no hydrogen 2.736 N/A ASP 144.A N SER 142.A OG no hydrogen 3.370 N/A CYS 145.A N SER 142.A O no hydrogen 2.949 N/A CYS 145.A SG VAL 146.A O no hydrogen 3.948 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 2.988 N/A LYS 147.A N LEU 139.A O no hydrogen 2.754 N/A LYS 147.A NZ PRO 67.A O no hydrogen 3.153 N/A LYS 147.A NZ GLU 86.A OE1 no hydrogen 2.787 N/A LYS 147.A NZ GLU 86.A OE2 no hydrogen 3.449 N/A LEU 148.A N HIS 68.A O no hydrogen 2.861 N/A GLY 149.A N ASN 137.A O no hydrogen 2.881 N/A ARG 155.A N GLY 152.A O no hydrogen 3.133 N/A ARG 155.A NE ASP 150.A OD1 no hydrogen 3.089 N/A ARG 155.A NE ASP 150.A OD2 no hydrogen 3.012 N/A ARG 155.A NH1 SER 154.A OG no hydrogen 3.101 N/A ARG 155.A NH2 ASP 132.A OD2 no hydrogen 2.766 N/A ARG 155.A NH2 ASP 150.A OD1 no hydrogen 2.836 N/A TYR 156.A N LEU 153.A O no hydrogen 3.079 N/A MET 157.A N SER 154.A O no hydrogen 3.258 N/A SER 160.A OG SER 154.A O no hydrogen 2.722 N/A SER 160.A OG MET 157.A O no hydrogen 3.388 N/A TYR 163.A N ASP 159.A O no hydrogen 3.275 N/A LYS 164.A N SER 160.A O no hydrogen 3.461 N/A ALA 165.A N THR 161.A O no hydrogen 3.294 N/A SER 166.A N TYR 162.A O no hydrogen 3.211 N/A SER 166.A OG TYR 162.A O no hydrogen 2.705 N/A SER 166.A OG TYR 163.A O no hydrogen 3.379 N/A GLY 168.A N ALA 165.A O no hydrogen 2.921 N/A LYS 169.A N LYS 164.A O no hydrogen 2.747 N/A LYS 173.A NZ PHE 209.A O no hydrogen 3.028 N/A LYS 173.A NZ VAL 212.A O no hydrogen 2.863 N/A TRP 174.A N PRO 171.A O no hydrogen 2.922 N/A TRP 174.A NE1 GLU 200.A OE1 no hydrogen 2.822 N/A MET 175.A N PRO 171.A O no hydrogen 3.196 N/A MET 175.A N ILE 172.A O no hydrogen 3.276 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.833 N/A SER 179.A N ALA 176.A O no hydrogen 3.007 N/A SER 179.A OG ARG 184.A O no hydrogen 2.801 N/A ILE 180.A N ALA 176.A O no hydrogen 3.157 N/A ASN 181.A N PRO 177.A O no hydrogen 2.851 N/A PHE 182.A N GLU 178.A O no hydrogen 3.030 N/A ARG 183.A N SER 179.A O no hydrogen 3.019 N/A ARG 183.A NH1 SER 179.A O no hydrogen 3.273 N/A ARG 184.A N GLU 178.A O no hydrogen 3.214 N/A THR 186.A N SER 189.A OG no hydrogen 2.895 N/A SER 189.A N THR 186.A OG1 no hydrogen 3.206 N/A SER 189.A OG THR 186.A O no hydrogen 3.026 N/A ASP 190.A N THR 186.A O no hydrogen 3.110 N/A VAL 191.A N SER 187.A O no hydrogen 3.115 N/A TRP 192.A N ALA 188.A O no hydrogen 3.146 N/A MET 193.A N SER 189.A O no hydrogen 3.129 N/A PHE 194.A N ASP 190.A O no hydrogen 2.811 N/A GLY 195.A N VAL 191.A O no hydrogen 3.022 N/A VAL 196.A N TRP 192.A O no hydrogen 3.282 N/A CYS 197.A N MET 193.A O no hydrogen 2.845 N/A MET 198.A N PHE 194.A O no hydrogen 2.866 N/A TRP 199.A N GLY 195.A O no hydrogen 3.145 N/A TRP 199.A NE1 PRO 228.A O no hydrogen 2.775 N/A GLU 200.A N VAL 196.A O no hydrogen 2.906 N/A ILE 201.A N CYS 197.A O no hydrogen 3.036 N/A LEU 202.A N MET 198.A O no hydrogen 3.021 N/A MET 203.A N TRP 199.A O no hydrogen 2.905 N/A HIS 204.A N ILE 201.A O no hydrogen 2.859 N/A GLY 205.A N GLU 200.A O no hydrogen 2.831 N/A VAL 212.A N PHE 209.A O no hydrogen 3.147 N/A ASP 216.A N LYS 213.A O no hydrogen 3.003 N/A VAL 217.A N ASN 214.A O no hydrogen 3.092 N/A ARG 220.A N ASP 216.A O no hydrogen 3.139 N/A ILE 221.A N VAL 217.A O no hydrogen 2.928 N/A GLU 222.A N ILE 218.A O no hydrogen 2.911 N/A ASN 223.A N GLY 219.A O no hydrogen 3.037 N/A GLY 224.A N ILE 221.A O no hydrogen 2.896 N/A GLU 225.A N ARG 220.A O no hydrogen 3.016 N/A ARG 226.A NE TRP 245.A O no hydrogen 2.952 N/A ARG 226.A NH1 ILE 221.A O no hydrogen 3.040 N/A ARG 226.A NH1 GLU 225.A O no hydrogen 2.976 N/A ARG 226.A NH2 TRP 245.A O no hydrogen 2.923 N/A CYS 233.A N PRO 230.A O no hydrogen 3.151 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.422 N/A LEU 237.A N PRO 234.A O no hydrogen 2.969 N/A TYR 238.A N PRO 234.A O no hydrogen 3.186 N/A TYR 238.A OH LEU 227.A O no hydrogen 2.628 N/A SER 239.A N PRO 235.A O no hydrogen 2.951 N/A SER 239.A OG.B PRO 235.A O no hydrogen 2.958 N/A LEU 240.A N THR 236.A O no hydrogen 3.169 N/A MET 241.A N LEU 237.A O no hydrogen 3.011 N/A THR 242.A N TYR 238.A O no hydrogen 2.863 N/A THR 242.A OG1 TYR 238.A O no hydrogen 3.389 N/A THR 242.A OG1 SER 239.A O no hydrogen 2.776 N/A LYS 243.A N SER 239.A O no hydrogen 3.070 N/A CYS 244.A N LEU 240.A O no hydrogen 3.199 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.547 N/A TRP 245.A N MET 241.A O no hydrogen 3.219 N/A TRP 245.A N THR 242.A O no hydrogen 3.227 N/A ALA 246.A N LYS 243.A O no hydrogen 3.290 N/A SER 250.A N ASP 248.A OD1 no hydrogen 3.140 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.720 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.150 N/A ARG 251.A N ASP 248.A O no hydrogen 3.005 N/A ARG 252.A N PRO 249.A O no hydrogen 3.048 N/A ARG 252.A NE ALA 246.A O no hydrogen 2.766 N/A ARG 252.A NH1 GLU 178.A OE1 no hydrogen 2.846 N/A ARG 252.A NH1 GLU 178.A OE2 no hydrogen 3.562 N/A ARG 252.A NH1 ALA 246.A O no hydrogen 3.175 N/A ARG 252.A NH1 TYR 247.A O no hydrogen 3.187 N/A ARG 252.A NH2 GLU 178.A OE2 no hydrogen 2.797 N/A ARG 252.A NH2 ALA 188.A O no hydrogen 2.982 N/A ARG 254.A NH1 GLU 124.A OE2 no hydrogen 2.769 N/A ARG 254.A NH1 SER 187.A OG no hydrogen 3.091 N/A PHE 255.A N GLU 124.A OE1 no hydrogen 3.171 N/A LEU 258.A N ARG 254.A O no hydrogen 3.279 N/A LYS 259.A N PHE 255.A O no hydrogen 2.917 N/A ALA 260.A N THR 256.A O no hydrogen 3.071 N/A GLN 261.A N GLU 257.A O no hydrogen 2.960 N/A LEU 262.A N LEU 258.A O no hydrogen 2.832 N/A SER 263.A N LYS 259.A O no hydrogen 3.007 N/A THR 264.A N ALA 260.A O no hydrogen 3.284 N/A THR 264.A OG1 ALA 260.A O no hydrogen 3.209 N/A ILE 265.A N GLN 261.A O no hydrogen 2.973 N/A LEU 266.A N LEU 262.A O no hydrogen 2.890 N/A GLU 267.A N SER 263.A O no hydrogen 3.039 N/A GLU 268.A N THR 264.A O no hydrogen 2.948 N/A GLU 269.A N ILE 265.A O no hydrogen 2.886 N/A LYS 270.A N LEU 266.A O no hydrogen 2.931 N/A ALA 271.A N GLU 267.A O no hydrogen 3.014 N/A