Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 6.A OD2 no hydrogen 2.866 N/A THR 3.A OG1 ASP 6.A OD2 no hydrogen 3.429 N/A ASP 6.A N THR 3.A O no hydrogen 2.925 N/A PHE 7.A N MET 4.A O no hydrogen 3.330 N/A ASP 8.A N ARG 25.A O no hydrogen 2.812 N/A TYR 9.A OH MET 4.A O no hydrogen 2.597 N/A LEU 10.A N LEU 23.A O no hydrogen 2.770 N/A LYS 11.A NZ VAL 288.A O no hydrogen 3.049 N/A LYS 11.A NZ THR 290.A OG1 no hydrogen 3.344 N/A LEU 13.A N VAL 21.A O no hydrogen 2.789 N/A GLY 14.A N VAL 21.A O no hydrogen 3.314 N/A LYS 20.A N ILE 37.A O no hydrogen 3.069 N/A VAL 21.A N GLY 14.A O no hydrogen 2.778 N/A ILE 22.A N MET 35.A O no hydrogen 2.944 N/A LEU 23.A N LYS 11.A O no hydrogen 2.743 N/A VAL 24.A N TYR 33.A O no hydrogen 3.011 N/A ARG 25.A N ASP 8.A O no hydrogen 2.821 N/A ARG 25.A NE TYR 32.A OH no hydrogen 3.047 N/A ARG 25.A NH1 ASP 8.A OD2 no hydrogen 3.021 N/A ARG 25.A NH2 TYR 32.A OH no hydrogen 3.148 N/A GLU 26.A N ARG 31.A O no hydrogen 2.681 N/A LYS 27.A N ASP 6.A O no hydrogen 3.023 N/A LYS 27.A NZ ASN 5.A O no hydrogen 2.751 N/A THR 29.A N GLU 26.A O no hydrogen 3.345 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 2.774 N/A GLY 30.A N GLU 26.A O no hydrogen 2.743 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.284 N/A TYR 33.A N VAL 24.A O no hydrogen 3.006 N/A ALA 34.A N MET 84.A O no hydrogen 2.842 N/A MET 35.A N ILE 22.A O no hydrogen 2.875 N/A LYS 36.A N PHE 82.A O no hydrogen 2.781 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 2.767 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 3.033 N/A LYS 36.A NZ ASP 148.A OD1 no hydrogen 3.022 N/A ILE 37.A N LYS 20.A O no hydrogen 2.822 N/A LEU 38.A N LEU 80.A O no hydrogen 2.881 N/A LYS 40.A N ASP 78.A O no hydrogen 2.906 N/A LYS 40.A NZ GLN 75.A OE1 no hydrogen 2.769 N/A LYS 40.A NZ THR 76.A O no hydrogen 2.781 N/A ILE 43.A N ARG 39.A O no hydrogen 2.930 N/A ILE 44.A N LYS 40.A O no hydrogen 2.820 N/A ALA 45.A N GLU 41.A O no hydrogen 3.058 N/A LYS 46.A N VAL 42.A O no hydrogen 2.907 N/A ASP 47.A N ILE 44.A O no hydrogen 3.081 N/A GLU 48.A N ILE 43.A O no hydrogen 2.870 N/A HIS 51.A ND1 GLU 48.A OE1 no hydrogen 2.949 N/A THR 52.A N GLU 48.A O no hydrogen 3.050 N/A THR 52.A OG1 GLU 48.A O no hydrogen 2.681 N/A VAL 53.A N VAL 49.A O no hydrogen 2.904 N/A THR 54.A N ALA 50.A O no hydrogen 2.916 N/A THR 54.A OG1 ALA 50.A O no hydrogen 3.013 N/A GLU 55.A N HIS 51.A O no hydrogen 2.878 N/A SER 56.A N THR 52.A O no hydrogen 3.101 N/A SER 56.A OG ASP 309.A O no hydrogen 3.566 N/A SER 56.A OG PHE 310.A O no hydrogen 2.984 N/A ARG 57.A N VAL 53.A O no hydrogen 2.842 N/A ARG 57.A NE GLU 154.A OE2 no hydrogen 2.809 N/A VAL 58.A N THR 54.A O no hydrogen 2.870 N/A LEU 59.A N GLU 55.A O no hydrogen 2.991 N/A GLN 60.A N SER 56.A O no hydrogen 2.824 N/A GLN 60.A NE2 SER 56.A O no hydrogen 3.572 N/A GLN 60.A NE2 SER 56.A OG no hydrogen 2.683 N/A GLN 60.A NE2 ASP 309.A O no hydrogen 2.831 N/A ASN 61.A N ARG 57.A O no hydrogen 2.969 N/A ASN 61.A N VAL 58.A O no hydrogen 3.194 N/A ASN 61.A ND2 ARG 57.A O no hydrogen 2.651 N/A THR 62.A OG1 VAL 58.A O no hydrogen 2.802 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.878 N/A ARG 63.A NH1 ASP 315.A OD1 no hydrogen 3.267 N/A ARG 63.A NH2 ASP 315.A OD1 no hydrogen 2.555 N/A LEU 67.A N HIS 64.A O no hydrogen 3.211 N/A THR 68.A N ILE 146.A O no hydrogen 3.021 N/A THR 68.A OG1 ILE 146.A O no hydrogen 3.378 N/A ALA 69.A N GLU 85.A OE2 no hydrogen 2.773 N/A LYS 71.A N VAL 83.A O no hydrogen 2.701 N/A LYS 71.A NZ TRP 316.A OXT no hydrogen 2.862 N/A TYR 72.A N VAL 83.A O no hydrogen 3.192 N/A TYR 72.A OH GLU 26.A OE2 no hydrogen 2.516 N/A ALA 73.A N TYR 312.A O no hydrogen 2.866 N/A PHE 74.A N CYS 81.A O no hydrogen 2.983 N/A GLN 75.A NE2 PHE 307.A O no hydrogen 3.267 N/A GLN 75.A NE2 ASP 311.A OD1 no hydrogen 2.980 N/A THR 76.A N ARG 79.A O no hydrogen 2.912 N/A THR 76.A OG1 ASP 78.A OD1 no hydrogen 3.002 N/A ASP 78.A N THR 76.A OG1 no hydrogen 3.300 N/A ARG 79.A N THR 76.A OG1 no hydrogen 3.113 N/A ARG 79.A NH1 ASP 78.A O no hydrogen 3.311 N/A LEU 80.A N LEU 38.A O no hydrogen 2.936 N/A CYS 81.A N PHE 74.A O no hydrogen 2.830 N/A PHE 82.A N LYS 36.A O no hydrogen 2.922 N/A VAL 83.A N TYR 72.A O no hydrogen 2.706 N/A MET 84.A N ALA 34.A O no hydrogen 2.788 N/A GLU 85.A N ALA 69.A O no hydrogen 3.038 N/A GLY 89.A N LEU 138.A O no hydrogen 2.895 N/A GLY 90.A N ALA 87.A O no hydrogen 3.401 N/A LEU 92.A N LEU 136.A O no hydrogen 2.769 N/A PHE 93.A N LEU 133.A O no hydrogen 3.248 N/A PHE 94.A N GLU 91.A O no hydrogen 2.872 N/A HIS 95.A NE2 GLY 89.A O no hydrogen 2.596 N/A LEU 96.A N LEU 92.A O no hydrogen 2.897 N/A SER 97.A N PHE 93.A O no hydrogen 3.097 N/A SER 97.A OG PHE 93.A O no hydrogen 2.741 N/A ARG 98.A N PHE 94.A O no hydrogen 3.167 N/A GLU 99.A N HIS 95.A O no hydrogen 2.883 N/A ARG 100.A N LEU 96.A O no hydrogen 2.658 N/A ARG 100.A NH1 SER 97.A O no hydrogen 2.787 N/A PHE 102.A N MET 197.A O no hydrogen 2.762 N/A ARG 106.A N THR 103.A OG1 no hydrogen 3.057 N/A ARG 106.A NE TYR 110.A OH no hydrogen 3.102 N/A ARG 106.A NH1 GLU 99.A OE2 no hydrogen 2.942 N/A ARG 106.A NH2 TYR 110.A OH no hydrogen 3.038 N/A ALA 107.A N THR 103.A O no hydrogen 2.978 N/A ARG 108.A N GLU 104.A O no hydrogen 2.815 N/A ARG 108.A NE GLU 105.A OE2 no hydrogen 2.827 N/A ARG 108.A NH1 PHE 262.A O no hydrogen 3.001 N/A ARG 108.A NH2 GLU 105.A OE1 no hydrogen 3.170 N/A ARG 108.A NH2 GLU 105.A OE2 no hydrogen 3.271 N/A PHE 109.A N GLU 105.A O no hydrogen 3.073 N/A TYR 110.A N ARG 106.A O no hydrogen 3.246 N/A GLY 111.A N ALA 107.A O no hydrogen 2.754 N/A ALA 112.A N ARG 108.A O no hydrogen 2.939 N/A GLU 113.A N PHE 109.A O no hydrogen 3.229 N/A ILE 114.A N TYR 110.A O no hydrogen 2.943 N/A VAL 115.A N GLY 111.A O no hydrogen 2.851 N/A SER 116.A N ALA 112.A O no hydrogen 2.930 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 3.203 N/A ALA 117.A N GLU 113.A O no hydrogen 2.997 N/A LEU 118.A N ILE 114.A O no hydrogen 2.872 N/A GLU 119.A N VAL 115.A O no hydrogen 2.808 N/A TYR 120.A N SER 116.A O no hydrogen 3.003 N/A LEU 121.A N ALA 117.A O no hydrogen 2.863 N/A HIS 122.A N LEU 118.A O no hydrogen 2.879 N/A HIS 122.A ND1 ASP 253.A OD1 no hydrogen 3.218 N/A HIS 122.A ND1 ASP 253.A OD2 no hydrogen 2.726 N/A HIS 122.A NE2 ASP 186.A OD2 no hydrogen 2.690 N/A SER 123.A N GLU 119.A O no hydrogen 2.932 N/A SER 123.A OG TYR 120.A O no hydrogen 2.459 N/A ARG 124.A N TYR 120.A O no hydrogen 3.157 N/A ARG 124.A N LEU 121.A O no hydrogen 2.863 N/A ARG 124.A NE ASN 61.A O no hydrogen 3.295 N/A ARG 124.A NH2 ASN 61.A O no hydrogen 3.054 N/A ASP 125.A N HIS 122.A O no hydrogen 3.072 N/A VAL 126.A N LEU 121.A O no hydrogen 2.913 N/A VAL 127.A N LYS 153.A O no hydrogen 2.969 N/A TYR 128.A N ASP 186.A OD2 no hydrogen 3.014 N/A TYR 128.A OH THR 147.A O no hydrogen 2.509 N/A TYR 128.A OH ASP 148.A O no hydrogen 3.053 N/A ARG 129.A N ASP 186.A OD1 no hydrogen 2.804 N/A ARG 129.A NE LEU 151.A O no hydrogen 2.697 N/A ARG 129.A NH1 TYR 181.A OH no hydrogen 2.967 N/A ARG 129.A NH2 LEU 151.A O no hydrogen 2.896 N/A ARG 129.A NH2 CYS 152.A O no hydrogen 3.555 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.812 N/A LEU 133.A N TYR 170.A OH no hydrogen 3.278 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.672 N/A ASN 135.A N LYS 132.A O no hydrogen 3.147 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.941 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.033 N/A MET 137.A N LYS 145.A O no hydrogen 2.828 N/A LEU 138.A N GLY 90.A O no hydrogen 2.862 N/A ASP 139.A N HIS 143.A O no hydrogen 2.928 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 2.914 N/A GLY 142.A N ASP 139.A O no hydrogen 2.988 N/A GLY 142.A N ASP 139.A OD1 no hydrogen 2.979 N/A HIS 143.A N ASP 139.A OD1 no hydrogen 3.003 N/A HIS 143.A ND1 GLU 113.A OE2 no hydrogen 2.584 N/A ILE 144.A N GLU 113.A OE1 no hydrogen 2.809 N/A LYS 145.A N MET 137.A O no hydrogen 2.744 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.779 N/A LYS 145.A NZ LEU 67.A O no hydrogen 3.470 N/A LYS 145.A NZ GLU 85.A OE2 no hydrogen 3.032 N/A ILE 146.A N PHE 66.A O no hydrogen 2.881 N/A THR 147.A N ASN 135.A O no hydrogen 3.049 N/A THR 147.A OG1 ASN 135.A O no hydrogen 3.515 N/A PHE 149.A N GLU 55.A OE2 no hydrogen 3.141 N/A CYS 152.A N PHE 149.A O no hydrogen 3.115 N/A CYS 152.A SG PHE 149.A O no hydrogen 3.386 N/A LYS 153.A N VAL 127.A O no hydrogen 2.943 N/A ILE 156.A N ASP 125.A O no hydrogen 2.840 N/A ALA 160.A N SER 157.A O no hydrogen 2.948 N/A THR 161.A OG1 ASP 180.A OD2 no hydrogen 2.599 N/A MET 162.A N TYR 181.A O no hydrogen 2.741 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.802 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.855 N/A TYR 170.A N THR 167.A O no hydrogen 2.910 N/A TYR 170.A OH GLU 196.A OE1 no hydrogen 2.369 N/A LEU 171.A N PRO 168.A O no hydrogen 3.235 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.843 N/A VAL 175.A N ALA 172.A O no hydrogen 3.058 N/A LEU 176.A N PRO 173.A O no hydrogen 2.927 N/A GLU 177.A N GLU 174.A O no hydrogen 3.133 N/A TYR 181.A N MET 162.A O no hydrogen 2.878 N/A VAL 185.A N GLY 182.A O no hydrogen 3.323 N/A ASP 186.A N ARG 183.A O no hydrogen 3.107 N/A TRP 187.A N ALA 184.A O no hydrogen 3.057 N/A TRP 187.A NE1 ASP 253.A OD1 no hydrogen 2.793 N/A TRP 188.A N ALA 184.A O no hydrogen 3.321 N/A GLY 189.A N VAL 185.A O no hydrogen 3.155 N/A LEU 190.A N ASP 186.A O no hydrogen 3.074 N/A GLY 191.A N TRP 187.A O no hydrogen 2.996 N/A VAL 192.A N TRP 188.A O no hydrogen 2.995 N/A VAL 193.A N GLY 189.A O no hydrogen 3.052 N/A MET 194.A N LEU 190.A O no hydrogen 2.839 N/A TYR 195.A N GLY 191.A O no hydrogen 2.831 N/A TYR 195.A OH ARG 222.A O no hydrogen 2.418 N/A GLU 196.A N VAL 192.A O no hydrogen 2.895 N/A MET 197.A N VAL 193.A O no hydrogen 2.900 N/A MET 198.A N MET 194.A O no hydrogen 2.975 N/A CYS 199.A N TYR 195.A O no hydrogen 2.803 N/A GLY 200.A N GLU 196.A O no hydrogen 2.844 N/A ARG 201.A NH1 LEU 202.A O no hydrogen 2.860 N/A ARG 201.A NH1 PRO 203.A O no hydrogen 3.366 N/A ASP 208.A N ASN 206.A OD1 no hydrogen 2.728 N/A ARG 211.A N ASP 208.A OD1 no hydrogen 3.098 N/A ARG 211.A NE GLU 214.A OE1 no hydrogen 3.139 N/A LEU 212.A N ASP 208.A O no hydrogen 2.890 N/A PHE 213.A N HIS 209.A O no hydrogen 2.976 N/A GLU 214.A N GLU 210.A O no hydrogen 3.206 N/A LEU 215.A N ARG 211.A O no hydrogen 2.991 N/A ILE 216.A N LEU 212.A O no hydrogen 3.032 N/A LEU 217.A N PHE 213.A O no hydrogen 3.068 N/A MET 218.A N GLU 214.A O no hydrogen 2.834 N/A MET 218.A N LEU 215.A O no hydrogen 3.226 N/A GLU 219.A N LEU 215.A O no hydrogen 2.767 N/A GLU 220.A N GLU 219.A OE2 no hydrogen 3.236 N/A LEU 227.A N PRO 224.A O no hydrogen 3.126 N/A SER 228.A N GLU 104.A OE2 no hydrogen 3.047 N/A SER 228.A OG GLU 104.A OE1 no hydrogen 2.548 N/A SER 228.A OG GLU 104.A OE2 no hydrogen 3.493 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.903 N/A ALA 231.A N SER 228.A OG no hydrogen 3.091 N/A LYS 232.A N SER 228.A O no hydrogen 3.024 N/A LYS 232.A NZ ARG 225.A O no hydrogen 3.162 N/A SER 233.A N PRO 229.A O no hydrogen 2.899 N/A SER 233.A OG HIS 260.A NE2 no hydrogen 2.822 N/A LEU 234.A N GLU 230.A O no hydrogen 2.900 N/A LEU 235.A N ALA 231.A O no hydrogen 2.920 N/A ALA 236.A N LYS 232.A O no hydrogen 2.903 N/A GLY 237.A N SER 233.A O no hydrogen 2.898 N/A LEU 238.A N LEU 234.A O no hydrogen 2.938 N/A LEU 239.A N LEU 235.A O no hydrogen 2.846 N/A LYS 240.A N GLY 237.A O no hydrogen 3.442 N/A LYS 240.A NZ GLN 245.A OE1 no hydrogen 3.514 N/A LYS 241.A NZ ILE 216.A O no hydrogen 2.622 N/A LYS 241.A NZ GLU 219.A O no hydrogen 2.843 N/A LYS 244.A N ASP 242.A OD1 no hydrogen 3.027 N/A GLN 245.A N ASP 242.A O no hydrogen 2.940 N/A GLN 245.A NE2 ASP 242.A OD2 no hydrogen 2.413 N/A ARG 246.A N PRO 243.A O no hydrogen 3.244 N/A ARG 246.A NE LYS 240.A O no hydrogen 2.952 N/A ARG 246.A NH1 GLU 174.A OE1 no hydrogen 3.557 N/A ARG 246.A NH1 GLU 174.A OE2 no hydrogen 2.842 N/A ARG 246.A NH1 ALA 184.A O no hydrogen 2.995 N/A ARG 246.A NH2 GLU 174.A OE1 no hydrogen 2.874 N/A ARG 246.A NH2 LYS 240.A O no hydrogen 2.912 N/A LEU 247.A N GLY 237.A O no hydrogen 2.907 N/A GLY 248.A N GLU 256.A OE1 no hydrogen 2.945 N/A GLY 249.A N ARG 246.A O no hydrogen 2.693 N/A GLY 250.A N GLU 256.A OE1 no hydrogen 3.159 N/A SER 252.A OG GLU 256.A OE2 no hydrogen 3.428 N/A ASP 253.A N GLY 250.A O no hydrogen 3.142 N/A LYS 255.A N SER 252.A O no hydrogen 3.004 N/A LYS 255.A NZ GLU 259.A OE2 no hydrogen 2.929 N/A GLU 256.A N ASP 253.A O no hydrogen 3.241 N/A MET 258.A N ALA 254.A O no hydrogen 2.891 N/A GLU 259.A N LYS 255.A O no hydrogen 2.930 N/A HIS 260.A N VAL 257.A O no hydrogen 3.051 N/A HIS 260.A NE2 SER 233.A OG no hydrogen 2.822 N/A PHE 262.A N HIS 260.A ND1 no hydrogen 2.849 N/A PHE 263.A N HIS 260.A O no hydrogen 2.908 N/A LEU 264.A N ARG 261.A O no hydrogen 3.065 N/A ILE 266.A N PHE 263.A O no hydrogen 2.876 N/A TRP 268.A NE1 MET 258.A O no hydrogen 3.123 N/A GLN 269.A N ASN 267.A OD1 no hydrogen 3.231 N/A GLN 269.A N GLN 269.A OE1 no hydrogen 2.852 N/A ASP 270.A N ASN 267.A OD1 no hydrogen 3.461 N/A VAL 271.A N ASN 267.A O no hydrogen 3.087 N/A VAL 271.A N TRP 268.A O no hydrogen 3.156 N/A LYS 274.A N VAL 271.A O no hydrogen 3.088 N/A LYS 275.A N ASP 270.A O no hydrogen 3.366 N/A LYS 275.A NZ ASP 270.A OD1 no hydrogen 3.385 N/A GLN 283.A N TYR 292.A OH no hydrogen 2.773 N/A GLN 283.A NE2 LYS 281.A O no hydrogen 2.983 N/A THR 285.A N ASP 289.A OD2 no hydrogen 3.060 N/A THR 285.A OG1 ASP 289.A OD2 no hydrogen 3.141 N/A VAL 288.A N SER 286.A OG no hydrogen 3.079 N/A ASP 289.A N SER 286.A O no hydrogen 3.255 N/A ARG 291.A N ASP 289.A OD1 no hydrogen 3.070 N/A ARG 291.A NE ASP 289.A OD1 no hydrogen 3.346 N/A ARG 291.A NE ASP 289.A OD2 no hydrogen 2.929 N/A ARG 291.A NH2 ASP 289.A OD2 no hydrogen 2.937 N/A PHE 293.A N THR 290.A O no hydrogen 3.048 N/A PHE 297.A N ASP 294.A O no hydrogen 2.841 N/A THR 298.A N ASP 294.A O no hydrogen 2.966 N/A THR 298.A OG1 ASP 294.A O no hydrogen 3.541 N/A ALA 299.A N ASP 295.A O no hydrogen 2.910 N/A GLN 300.A N PHE 297.A O no hydrogen 2.984 N/A MET 306.A N GLN 304.A O no hydrogen 2.644 N/A TYR 312.A N ALA 73.A O no hydrogen 2.993 N/A ALA 314.A N LYS 71.A O no hydrogen 2.987 N/A