Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gwh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLN 135.A O no hydrogen 2.779 N/A ARG 1.A NH1 LEU 141.A O no hydrogen 2.781 N/A ARG 1.A NH2 GLN 135.A O no hydrogen 2.891 N/A ARG 1.A NH2 ARG 136.A O no hydrogen 3.406 N/A LEU 2.A N LYS 139.A O no hydrogen 2.867 N/A SER 3.A OG.A VAL 4.A O no hydrogen 3.554 N/A ASN 5.A N GLN 12.A O no hydrogen 2.829 N/A VAL 7.A N ILE 10.A O no hydrogen 2.837 N/A ILE 10.A N VAL 7.A O no hydrogen 3.078 N/A GLN 12.A N ASN 5.A O no hydrogen 2.889 N/A GLN 12.A NE2 LEU 11.A O no hydrogen 2.847 N/A THR 14.A N SER 3.A O no hydrogen 3.004 N/A THR 16.A N PRO 13.A O no hydrogen 2.922 N/A THR 16.A OG1 GLU 75.A O no hydrogen 2.518 N/A CYS 17.A N PRO 13.A O no hydrogen 3.433 N/A CYS 17.A SG ASN 5.A O no hydrogen 3.215 N/A CYS 17.A SG GLN 12.A O no hydrogen 3.898 N/A CYS 17.A SG PRO 13.A O no hydrogen 3.959 N/A ASP 18.A N THR 14.A O no hydrogen 3.308 N/A ILE 19.A N THR 16.A O no hydrogen 3.147 N/A TRP 20.A N CYS 17.A O no hydrogen 3.398 N/A ILE 23.A N ILE 19.A O no hydrogen 3.114 N/A TRP 24.A N TRP 20.A O no hydrogen 2.837 N/A ASN 25.A N ASP 21.A O no hydrogen 3.151 N/A ASN 25.A ND2 ASP 21.A O no hydrogen 2.806 N/A PHE 26.A N ILE 23.A O no hydrogen 2.916 N/A ALA 28.A N SER 109.A OG no hydrogen 2.869 N/A LYS 29.A N ASP 32.A OD2 no hydrogen 2.780 N/A ASP 32.A N LYS 29.A O no hydrogen 3.033 N/A LEU 33.A N ARG 95.A O no hydrogen 3.008 N/A LEU 34.A N LYS 116.A O no hydrogen 3.069 N/A ILE 35.A N LEU 97.A O no hydrogen 2.739 N/A SER 36.A N ILE 118.A O no hydrogen 2.823 N/A THR 37.A N THR 99.A O no hydrogen 3.118 N/A THR 37.A OG1 THR 43.A OG1 no hydrogen 2.662 N/A THR 37.A OG1 HIS 100.A ND1 no hydrogen 3.031 N/A TYR 38.A OH GLY 162.A O no hydrogen 2.614 N/A ALA 41.A N TYR 38.A O no hydrogen 3.107 N/A THR 43.A OG1 THR 37.A OG1 no hydrogen 2.662 N/A THR 46.A N GLY 42.A O no hydrogen 3.106 N/A THR 46.A OG1 GLY 42.A O no hydrogen 2.712 N/A GLN 47.A N THR 43.A O no hydrogen 2.883 N/A GLU 48.A N THR 44.A O no hydrogen 3.129 N/A ILE 49.A N TRP 45.A O no hydrogen 3.072 N/A VAL 50.A N THR 46.A O no hydrogen 2.846 N/A GLU 51.A N GLN 47.A O no hydrogen 3.009 N/A LEU 52.A N GLU 48.A O no hydrogen 3.160 N/A ILE 53.A N ILE 49.A O no hydrogen 2.884 N/A GLN 54.A N VAL 50.A O no hydrogen 2.942 N/A ASN 55.A N GLU 51.A O no hydrogen 2.794 N/A ASN 55.A ND2 SER 62.A OG no hydrogen 3.247 N/A GLU 56.A N ILE 53.A O no hydrogen 3.092 N/A GLY 57.A N LEU 52.A O no hydrogen 2.729 N/A ASP 58.A N ASN 55.A OD1 no hydrogen 2.772 N/A LYS 61.A N ASP 58.A OD1 no hydrogen 3.054 N/A SER 62.A N ASP 58.A O no hydrogen 3.261 N/A SER 62.A OG GLU 51.A OE1 no hydrogen 2.756 N/A LYS 63.A N GLU 60.A O no hydrogen 2.990 N/A ARG 64.A N LYS 61.A O no hydrogen 3.186 N/A ARG 64.A NH1 GLU 51.A OE1 no hydrogen 3.224 N/A ARG 64.A NH1 GLU 51.A OE2 no hydrogen 3.115 N/A ARG 64.A NH1 LYS 61.A O no hydrogen 2.917 N/A ARG 64.A NH2 GLU 51.A OE2 no hydrogen 2.906 N/A THR 67.A N MET 229.A O no hydrogen 2.951 N/A THR 67.A OG1 MET 229.A O no hydrogen 3.306 N/A GLN 69.A N PRO 66.A O no hydrogen 2.908 N/A ARG 70.A N PRO 66.A O no hydrogen 3.042 N/A ARG 70.A NE ALA 65.A O no hydrogen 2.775 N/A ARG 70.A NH1 GLU 48.A OE1 no hydrogen 3.119 N/A ARG 70.A NH1 GLU 51.A OE1 no hydrogen 2.811 N/A ARG 70.A NH2 GLU 48.A OE1 no hydrogen 2.878 N/A ARG 70.A NH2 MET 229.A O no hydrogen 2.882 N/A PHE 71.A N THR 67.A O no hydrogen 2.903 N/A LEU 74.A N LYS 98.A O no hydrogen 2.957 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.781 N/A MET 76.A N PHE 73.A O no hydrogen 3.006 N/A ILE 78.A N GLY 82.A O no hydrogen 3.179 N/A SER 80.A OG PRO 79.A O no hydrogen 2.584 N/A LEU 81.A N ILE 78.A O no hydrogen 2.870 N/A GLY 84.A N MET 76.A O no hydrogen 2.813 N/A GLU 86.A N SER 83.A OG no hydrogen 3.039 N/A GLN 87.A N SER 83.A O no hydrogen 2.960 N/A GLN 87.A NE2 HIS 68.A O no hydrogen 2.947 N/A GLN 87.A NE2 GLN 69.A O no hydrogen 3.590 N/A ALA 88.A N GLY 84.A O no hydrogen 2.976 N/A HIS 89.A N LEU 85.A O no hydrogen 2.953 N/A HIS 89.A ND1 GLU 86.A OE1 no hydrogen 2.630 N/A ALA 90.A N GLU 86.A O no hydrogen 3.281 N/A MET 91.A N ALA 88.A O no hydrogen 2.934 N/A SER 93.A OG.A ASP 31.A OD2 no hydrogen 2.498 N/A SER 93.A OG.B ASP 31.A OD1 no hydrogen 3.265 N/A ARG 95.A NE ASP 32.A OD1 no hydrogen 2.808 N/A ARG 95.A NH1 ALA 88.A O no hydrogen 2.950 N/A ARG 95.A NH2 GLN 27.A O no hydrogen 2.961 N/A ARG 95.A NH2 ASP 32.A OD1 no hydrogen 3.446 N/A ARG 95.A NH2 ASP 32.A OD2 no hydrogen 2.716 N/A LEU 97.A N LEU 33.A O no hydrogen 2.746 N/A LYS 98.A N PRO 72.A O no hydrogen 2.885 N/A THR 99.A N ILE 35.A O no hydrogen 2.924 N/A THR 99.A OG1 GLU 75.A OE1 no hydrogen 2.728 N/A THR 99.A OG1 GLU 75.A OE2 no hydrogen 3.237 N/A HIS 100.A N GLU 75.A OE2 no hydrogen 2.789 N/A HIS 100.A ND1 THR 37.A O no hydrogen 2.802 N/A HIS 100.A ND1 THR 37.A OG1 no hydrogen 3.031 N/A LEU 101.A N THR 99.A OG1 no hydrogen 3.033 N/A LEU 105.A N PRO 102.A O no hydrogen 2.920 N/A LEU 106.A N PHE 103.A O no hydrogen 3.152 N/A LEU 110.A N PRO 107.A O no hydrogen 3.162 N/A LEU 111.A N PRO 108.A O no hydrogen 2.956 N/A GLU 112.A N PRO 108.A O no hydrogen 2.849 N/A LYS 113.A N SER 109.A O no hydrogen 2.881 N/A ASN 114.A N LEU 111.A O no hydrogen 2.955 N/A CYS 115.A N LEU 110.A O no hydrogen 3.216 N/A CYS 115.A SG LYS 29.A O no hydrogen 3.153 N/A CYS 115.A SG LEU 110.A O no hydrogen 3.672 N/A ILE 117.A N ARG 179.A O no hydrogen 2.851 N/A ILE 118.A N LEU 34.A O no hydrogen 2.789 N/A TYR 119.A N LEU 181.A O no hydrogen 2.872 N/A TYR 119.A OH HIS 167.A ND1 no hydrogen 2.683 N/A VAL 120.A N SER 36.A O no hydrogen 3.086 N/A ALA 121.A N LEU 183.A O no hydrogen 2.963 N/A ARG 122.A NH1 LYS 40.A O no hydrogen 2.851 N/A ARG 122.A NH2 ALA 252.A O no hydrogen 3.313 N/A ASN 123.A N GLU 186.A OE2 no hydrogen 2.832 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 2.969 N/A LYS 125.A NZ ASN 265.A OD1 no hydrogen 2.693 N/A LYS 125.A NZ ASP 269.A OD1 no hydrogen 2.747 N/A LYS 125.A NZ PHE 285.A O no hydrogen 2.702 N/A ASP 126.A N ASN 123.A OD1 no hydrogen 3.026 N/A ASN 127.A N ASN 123.A O no hydrogen 2.864 N/A ASN 127.A ND2 PRO 39.A O no hydrogen 2.766 N/A MET 128.A N PRO 124.A O no hydrogen 2.817 N/A VAL 129.A N LYS 125.A O no hydrogen 3.122 N/A SER 130.A N ASP 126.A O no hydrogen 2.927 N/A TYR 131.A N ASN 127.A O no hydrogen 2.974 N/A TYR 131.A OH CYS 160.A O no hydrogen 2.707 N/A TYR 132.A N MET 128.A O no hydrogen 2.839 N/A HIS 133.A N VAL 129.A O no hydrogen 3.171 N/A HIS 133.A NE2 HIS 259.A NE2 no hydrogen 3.032 N/A PHE 134.A N SER 130.A O no hydrogen 3.024 N/A GLN 135.A N TYR 131.A O no hydrogen 2.923 N/A GLN 135.A NE2 PRO 142.A O no hydrogen 2.795 N/A ARG 136.A N TYR 132.A O no hydrogen 3.109 N/A ARG 136.A NH1 HIS 133.A ND1 no hydrogen 2.944 N/A MET 137.A N HIS 133.A O no hydrogen 3.098 N/A MET 137.A N PHE 134.A O no hydrogen 3.248 N/A ASN 138.A N PHE 134.A O no hydrogen 2.775 N/A LYS 139.A N ILE 239.A O no hydrogen 2.849 N/A ALA 140.A N ASN 138.A OD1 no hydrogen 2.922 N/A LEU 141.A N ASN 138.A O no hydrogen 3.196 N/A THR 146.A N GLU 149.A OE1 no hydrogen 3.056 N/A THR 146.A OG1 GLU 148.A OE1 no hydrogen 3.481 N/A TRP 147.A NE1 GLN 264.A OE1 no hydrogen 2.828 N/A GLU 149.A N THR 146.A OG1 no hydrogen 3.085 N/A TYR 150.A N THR 146.A O no hydrogen 2.876 N/A TYR 150.A OH GLN 135.A OE1 no hydrogen 2.866 N/A PHE 151.A N TRP 147.A O no hydrogen 2.869 N/A THR 153.A N GLU 149.A O no hydrogen 2.932 N/A THR 153.A OG1 GLU 149.A O no hydrogen 3.101 N/A PHE 154.A N TYR 150.A O no hydrogen 2.822 N/A LEU 155.A N PHE 151.A O no hydrogen 2.971 N/A ALA 156.A N GLU 152.A O no hydrogen 3.040 N/A GLY 157.A N PHE 154.A O no hydrogen 2.971 N/A LYS 158.A N THR 153.A O no hydrogen 2.991 N/A TRP 161.A N LEU 11.A O no hydrogen 2.977 N/A TRP 161.A NE1 GLU 75.A OE2 no hydrogen 2.717 N/A GLY 162.A N VAL 159.A O no hydrogen 2.929 N/A GLU 166.A N SER 163.A OG no hydrogen 3.085 N/A HIS 167.A N SER 163.A O no hydrogen 3.035 N/A HIS 167.A ND1 TYR 119.A OH no hydrogen 2.683 N/A HIS 167.A NE2 HIS 100.A O no hydrogen 2.669 N/A VAL 168.A N TRP 164.A O no hydrogen 2.943 N/A LYS 169.A N HIS 165.A O no hydrogen 3.152 N/A LYS 169.A NZ LYS 275.A O no hydrogen 2.831 N/A GLY 170.A N GLU 166.A O no hydrogen 2.868 N/A TRP 171.A N HIS 167.A O no hydrogen 3.196 N/A TRP 171.A NE1 LEU 101.A O no hydrogen 3.051 N/A TRP 172.A N VAL 168.A O no hydrogen 2.970 N/A GLU 173.A N LYS 169.A O no hydrogen 2.899 N/A ALA 174.A N GLY 170.A O no hydrogen 3.082 N/A LYS 175.A N TRP 171.A O no hydrogen 3.151 N/A LYS 175.A N TRP 172.A O no hydrogen 3.385 N/A LYS 175.A NZ ASP 176.A OD1 no hydrogen 3.514 N/A LYS 177.A N ALA 174.A O no hydrogen 3.175 N/A HIS 178.A ND1 ALA 174.A O no hydrogen 3.188 N/A ARG 179.A NH1 ASN 114.A O no hydrogen 2.931 N/A ILE 180.A N HIS 178.A O no hydrogen 2.856 N/A LEU 181.A N ILE 117.A O no hydrogen 2.769 N/A TYR 182.A OH VAL 168.A O no hydrogen 2.932 N/A LEU 183.A N TYR 119.A O no hydrogen 2.778 N/A TYR 185.A N ALA 121.A O no hydrogen 2.875 N/A MET 188.A N PHE 184.A O no hydrogen 3.030 N/A LYS 189.A N TYR 185.A O no hydrogen 2.918 N/A LYS 189.A NZ GLY 251.A O no hydrogen 2.697 N/A LYS 190.A N GLU 186.A O no hydrogen 2.955 N/A ASN 191.A N ASP 187.A O no hydrogen 2.953 N/A LYS 193.A NZ ASP 209.A OD1 no hydrogen 2.830 N/A LYS 193.A NZ ASP 213.A OD1 no hydrogen 2.858 N/A HIS 194.A N ASN 191.A OD1 no hydrogen 3.132 N/A GLU 195.A N ASN 191.A O no hydrogen 3.276 N/A ILE 196.A N PRO 192.A O no hydrogen 2.818 N/A GLN 197.A N LYS 193.A O no hydrogen 2.827 N/A LYS 198.A N HIS 194.A O no hydrogen 2.994 N/A LYS 198.A NZ GLU 195.A OE1 no hydrogen 2.913 N/A LYS 198.A NZ GLU 195.A OE2 no hydrogen 3.531 N/A LEU 199.A N GLU 195.A O no hydrogen 2.870 N/A ALA 200.A N ILE 196.A O no hydrogen 2.959 N/A GLU 201.A N GLN 197.A O no hydrogen 3.019 N/A PHE 202.A N LYS 198.A O no hydrogen 3.118 N/A ILE 203.A N LEU 199.A O no hydrogen 2.796 N/A GLY 204.A N ALA 200.A O no hydrogen 2.749 N/A LYS 205.A N ALA 200.A O no hydrogen 2.830 N/A VAL 211.A N ASP 208.A OD1 no hydrogen 3.278 N/A LEU 212.A N ASP 208.A O no hydrogen 3.173 N/A ASP 213.A N ASP 209.A O no hydrogen 2.780 N/A LYS 214.A N LYS 210.A O no hydrogen 2.986 N/A LYS 214.A NZ GLY 57.A O no hydrogen 2.884 N/A ILE 215.A N VAL 211.A O no hydrogen 2.853 N/A VAL 216.A N LEU 212.A O no hydrogen 3.023 N/A HIS 217.A N ASP 213.A O no hydrogen 2.980 N/A TYR 218.A N LYS 214.A O no hydrogen 2.911 N/A THR 219.A N ILE 215.A O no hydrogen 2.908 N/A THR 219.A OG1 ILE 215.A O no hydrogen 2.696 N/A SER 220.A N HIS 217.A O no hydrogen 3.232 N/A SER 220.A OG HIS 217.A O no hydrogen 2.793 N/A MET 224.A N SER 220.A O no hydrogen 2.900 N/A LYS 225.A N PHE 221.A O no hydrogen 2.845 N/A LYS 225.A NZ MET 248.A O no hydrogen 2.786 N/A GLN 226.A N VAL 223.A O no hydrogen 3.137 N/A ASN 227.A N MET 224.A O no hydrogen 3.020 N/A MET 229.A N ASN 227.A OD1 no hydrogen 2.808 N/A ALA 230.A N ASN 227.A O no hydrogen 2.920 N/A ASN 231.A ND2 LYS 225.A O no hydrogen 3.085 N/A SER 233.A N ASN 231.A OD1 no hydrogen 3.096 N/A SER 233.A OG PRO 228.A O no hydrogen 3.328 N/A SER 233.A OG ASN 231.A OD1 no hydrogen 2.682 N/A ILE 235.A N TYR 232.A O no hydrogen 3.383 N/A ILE 239.A N PRO 236.A O no hydrogen 3.024 N/A MET 240.A N PRO 236.A O no hydrogen 3.156 N/A ASP 241.A N MET 137.A O no hydrogen 3.054 N/A HIS 242.A NE2 TYR 232.A O no hydrogen 2.850 N/A SER 243.A N ASP 241.A OD1 no hydrogen 2.937 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.645 N/A ILE 244.A N ASP 241.A O no hydrogen 3.119 N/A PHE 247.A N HIS 242.A ND1 no hydrogen 3.190 N/A ARG 249.A NH1 ASP 255.A OD2 no hydrogen 2.800 N/A ARG 249.A NH2 ASP 255.A OD2 no hydrogen 3.026 N/A LYS 250.A NZ ASP 255.A OD1 no hydrogen 2.625 N/A GLY 254.A N ASP 126.A OD2 no hydrogen 2.816 N/A TRP 256.A N ASP 126.A OD1 no hydrogen 2.867 N/A LYS 257.A N GLY 254.A O no hydrogen 3.174 N/A LYS 258.A N ASP 255.A O no hydrogen 3.166 N/A HIS 259.A N TRP 256.A O no hydrogen 2.917 N/A HIS 259.A ND1 ASP 255.A O no hydrogen 2.932 N/A HIS 259.A NE2 HIS 133.A NE2 no hydrogen 3.032 N/A PHE 260.A N TRP 256.A O no hydrogen 2.903 N/A THR 261.A N GLN 264.A OE1 no hydrogen 2.968 N/A GLN 264.A N THR 261.A OG1 no hydrogen 2.972 N/A ASN 265.A N THR 261.A O no hydrogen 2.911 N/A GLU 266.A N VAL 262.A O no hydrogen 2.864 N/A ARG 267.A N ALA 263.A O no hydrogen 2.904 N/A ARG 267.A NE GLU 152.A OE2 no hydrogen 2.877 N/A ARG 267.A NH2 GLU 152.A OE1 no hydrogen 3.077 N/A PHE 268.A N GLN 264.A O no hydrogen 2.779 N/A ASP 269.A N ASN 265.A O no hydrogen 2.920 N/A GLU 270.A N GLU 266.A O no hydrogen 3.027 N/A ASP 271.A N ARG 267.A O no hydrogen 2.986 N/A TYR 272.A N PHE 268.A O no hydrogen 2.833 N/A TYR 272.A OH THR 280.A OG1 no hydrogen 2.767 N/A LYS 273.A N ASP 269.A O no hydrogen 3.094 N/A LYS 274.A N GLU 270.A O no hydrogen 3.332 N/A LYS 275.A N ASP 271.A O no hydrogen 3.250 N/A LYS 275.A NZ ASP 271.A OD1 no hydrogen 3.248 N/A LYS 275.A NZ ASP 271.A OD2 no hydrogen 2.776 N/A MET 276.A N TYR 272.A O no hydrogen 2.811 N/A LEU 279.A N THR 277.A OG1 no hydrogen 3.261 N/A THR 280.A OG1 TYR 272.A OH no hydrogen 2.767 N/A PHE 281.A N ARG 278.A O no hydrogen 3.163 N/A HIS 282.A N LEU 279.A O no hydrogen 3.017 N/A PHE 283.A N THR 280.A O no hydrogen 3.066 N/A