Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5h8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 THR 67.A OG1 no hydrogen 2.760 N/A LEU 3.A N THR 67.A O no hydrogen 2.953 N/A SER 4.A OG ARG 97.A O no hydrogen 2.748 N/A ILE 5.A N ASP 69.A O no hydrogen 3.039 N/A VAL 6.A N MET 100.A O no hydrogen 3.073 N/A THR 7.A N TYR 71.A O no hydrogen 2.867 N/A THR 7.A OG1 VAL 102.A O no hydrogen 2.662 N/A LEU 8.A N THR 7.A OG1 no hydrogen 2.800 N/A GLU 10.A N VAL 14.A O no hydrogen 2.764 N/A PHE 13.A N GLU 10.A O no hydrogen 2.883 N/A VAL 14.A N GLU 10.A O no hydrogen 3.109 N/A ILE 15.A N LYS 50.A O no hydrogen 2.762 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 2.977 N/A GLU 17.A N CYS 48.A O no hydrogen 2.748 N/A CYS 22.A SG LYS 47.A O no hydrogen 3.409 N/A THR 26.A N VAL 23.A O no hydrogen 3.245 N/A THR 26.A OG1 VAL 23.A O no hydrogen 2.834 N/A VAL 27.A N CYS 49.A O no hydrogen 2.830 N/A CYS 29.A N LYS 47.A O no hydrogen 3.016 N/A ARG 30.A N LEU 70.A O no hydrogen 3.020 N/A ARG 30.A NE ASP 69.A OD1 no hydrogen 2.973 N/A ARG 30.A NE ASP 69.A OD2 no hydrogen 3.485 N/A ARG 30.A NH2 ASP 69.A OD2 no hydrogen 3.387 N/A LYS 31.A N VAL 45.A O no hydrogen 2.895 N/A VAL 33.A N MET 43.A O no hydrogen 2.785 N/A ILE 35.A N GLU 41.A O no hydrogen 3.041 N/A SER 38.A N ASN 36.A OD1 no hydrogen 2.791 N/A GLU 41.A N THR 39.A OG1 no hydrogen 3.296 N/A MET 43.A N VAL 33.A O no hydrogen 2.816 N/A VAL 45.A N LYS 31.A O no hydrogen 2.771 N/A LYS 47.A N CYS 29.A O no hydrogen 2.877 N/A LYS 47.A NZ ASP 18.A OD1 no hydrogen 2.841 N/A CYS 48.A N GLU 17.A O no hydrogen 2.851 N/A CYS 49.A N VAL 27.A O no hydrogen 2.768 N/A LYS 50.A N ILE 15.A O no hydrogen 2.960 N/A LYS 50.A NZ GLU 17.A OE2 no hydrogen 2.808 N/A PHE 52.A N PRO 12.A O no hydrogen 2.991 N/A CYS 53.A N PHE 13.A O no hydrogen 2.888 N/A ASP 55.A N GLY 51.A O no hydrogen 2.945 N/A ILE 56.A N PHE 52.A O no hydrogen 3.038 N/A LEU 57.A N CYS 53.A O no hydrogen 2.940 N/A LYS 58.A N ILE 54.A O no hydrogen 2.889 N/A LYS 58.A NZ ASN 25.A O no hydrogen 3.495 N/A LYS 59.A N ASP 55.A O no hydrogen 3.030 N/A LYS 59.A NZ GLU 261.A OE1 no hydrogen 3.274 N/A LEU 60.A N ILE 56.A O no hydrogen 2.883 N/A SER 61.A N LEU 57.A O no hydrogen 2.898 N/A SER 61.A OG PHE 66.A O no hydrogen 2.648 N/A ARG 62.A N LYS 58.A O no hydrogen 3.157 N/A THR 63.A N LYS 59.A O no hydrogen 2.942 N/A THR 63.A OG1 LYS 59.A O no hydrogen 3.027 N/A VAL 64.A N LEU 60.A O no hydrogen 2.742 N/A PHE 66.A N SER 61.A O no hydrogen 3.124 N/A THR 67.A N ASN 1.A O no hydrogen 2.956 N/A THR 67.A OG1 ASN 1.A O no hydrogen 3.561 N/A THR 67.A OG1 HIS 2.A ND1 no hydrogen 2.760 N/A ASP 69.A N LEU 3.A O no hydrogen 2.916 N/A TYR 71.A N ILE 5.A O no hydrogen 2.833 N/A TYR 71.A OH GLU 92.A OE1 no hydrogen 2.560 N/A LEU 72.A N ARG 30.A O no hydrogen 2.839 N/A VAL 73.A N THR 7.A O no hydrogen 2.928 N/A HIS 78.A NE2 GLU 10.A OE1 no hydrogen 2.970 N/A LYS 80.A N ASN 87.A OD1 no hydrogen 3.056 N/A LYS 80.A NZ ASN 161.A OD1 no hydrogen 2.858 N/A VAL 82.A N VAL 85.A O no hydrogen 2.878 N/A VAL 85.A N VAL 82.A O no hydrogen 2.948 N/A ASN 87.A N LYS 80.A O no hydrogen 2.957 N/A GLY 88.A N ASN 75.A O no hydrogen 2.734 N/A MET 89.A N LYS 77.A O no hydrogen 2.826 N/A ILE 90.A N HIS 78.A O no hydrogen 3.227 N/A GLY 91.A N ASN 87.A O no hydrogen 3.024 N/A GLU 92.A N GLY 88.A O no hydrogen 3.114 N/A VAL 93.A N MET 89.A O no hydrogen 3.291 N/A VAL 93.A N ILE 90.A O no hydrogen 3.043 N/A VAL 94.A N ILE 90.A O no hydrogen 2.903 N/A TYR 95.A N GLY 91.A O no hydrogen 2.900 N/A GLN 96.A N VAL 93.A O no hydrogen 3.019 N/A ARG 97.A N GLU 92.A O no hydrogen 2.786 N/A ARG 97.A NE GLU 92.A OE1 no hydrogen 3.115 N/A ARG 97.A NE GLU 92.A OE2 no hydrogen 3.169 N/A ARG 97.A NH2 GLU 92.A OE2 no hydrogen 3.229 N/A ALA 98.A N GLU 92.A O no hydrogen 3.003 N/A VAL 99.A N SER 4.A O no hydrogen 2.764 N/A ALA 101.A N ALA 238.A O no hydrogen 2.895 N/A VAL 102.A N VAL 6.A O no hydrogen 2.964 N/A SER 104.A OG GLU 10.A OE1 no hydrogen 2.650 N/A ILE 107.A N GLY 234.A O no hydrogen 2.978 N/A ARG 111.A N ASN 108.A OD1 no hydrogen 3.062 N/A ARG 111.A NH1 THR 106.A O no hydrogen 2.942 N/A ARG 111.A NH2 GLY 79.A O no hydrogen 2.933 N/A SER 112.A N ASN 108.A O no hydrogen 3.050 N/A SER 112.A OG ASN 108.A O no hydrogen 2.973 N/A GLU 113.A N GLU 109.A O no hydrogen 3.246 N/A GLU 113.A N GLU 110.A O no hydrogen 3.386 N/A VAL 114.A N ARG 111.A O no hydrogen 3.071 N/A VAL 115.A N ARG 111.A O no hydrogen 2.996 N/A ASP 116.A N LEU 239.A O no hydrogen 2.834 N/A SER 118.A N ILE 237.A O no hydrogen 2.838 N/A SER 118.A OG VAL 119.A O no hydrogen 2.786 N/A VAL 119.A N ASP 250.A OD1 no hydrogen 2.814 N/A PHE 121.A N TYR 235.A O no hydrogen 2.979 N/A THR 124.A N THR 233.A O no hydrogen 2.896 N/A THR 124.A OG1 ASP 205.A OD1 no hydrogen 2.578 N/A GLY 125.A N THR 124.A OG1 no hydrogen 2.775 N/A ILE 126.A N PHE 230.A O no hydrogen 2.823 N/A SER 127.A N TYR 204.A O no hydrogen 2.960 N/A SER 127.A OG TYR 228.A O no hydrogen 2.802 N/A MET 129.A N PHE 202.A O no hydrogen 2.820 N/A VAL 130.A N VAL 222.A O no hydrogen 2.892 N/A ARG 132.A N LYS 220.A O no hydrogen 2.731 N/A ARG 132.A NE CYS 219.A O no hydrogen 3.381 N/A ARG 132.A NH2 CYS 219.A O no hydrogen 2.861 N/A THR 134.A N SER 131.A O no hydrogen 3.149 N/A THR 134.A OG1 SER 131.A O no hydrogen 2.802 N/A THR 137.A N ASP 141.A OD2 no hydrogen 2.785 N/A THR 137.A OG1 ASP 141.A OD2 no hydrogen 3.418 N/A LEU 139.A N TYR 228.A OH.A no hydrogen 3.323 N/A ASP 141.A N GLY 138.A O no hydrogen 3.263 N/A LYS 143.A N ASP 141.A OD1 no hydrogen 3.034 N/A LYS 143.A NZ GLN 135.A O no hydrogen 2.764 N/A LYS 143.A NZ ASP 141.A OD1 no hydrogen 2.972 N/A PHE 144.A N ASP 141.A O no hydrogen 2.908 N/A GLN 145.A N ASP 141.A O no hydrogen 2.947 N/A GLN 145.A NE2 LEU 139.A O no hydrogen 3.140 N/A ARG 146.A N LYS 142.A O no hydrogen 2.868 N/A ARG 146.A NE ASP 149.A OD2 no hydrogen 2.718 N/A ARG 146.A NH2 ASP 149.A OD1 no hydrogen 3.248 N/A ARG 146.A NH2 ASP 149.A OD2 no hydrogen 3.502 N/A HIS 148.A ND1 TYR 174.A OH no hydrogen 3.246 N/A ASP 149.A N ARG 146.A O no hydrogen 3.073 N/A TYR 150.A N PRO 147.A O no hydrogen 3.382 N/A ARG 155.A N ASP 200.A OD2 no hydrogen 2.776 N/A ARG 155.A NE ASP 200.A OD2 no hydrogen 3.069 N/A ARG 155.A NH1 GLY 197.A O no hydrogen 2.966 N/A ARG 155.A NH2 GLY 197.A O no hydrogen 2.784 N/A ARG 155.A NH2 ASP 200.A OD1 no hydrogen 2.909 N/A GLY 157.A N ALA 201.A O no hydrogen 3.333 N/A THR 158.A OG1 VAL 159.A O no hydrogen 3.542 N/A THR 158.A OG1 ILE 203.A O no hydrogen 2.713 N/A ASN 161.A N GLU 165.A OE1 no hydrogen 2.760 N/A ARG 166.A N GLY 162.A O no hydrogen 3.135 N/A ASN 167.A N SER 163.A O no hydrogen 3.024 N/A ILE 168.A N THR 164.A O no hydrogen 3.068 N/A ARG 169.A N GLU 165.A O no hydrogen 2.840 N/A ASN 170.A N ARG 166.A O no hydrogen 3.093 N/A ASN 171.A N ASN 167.A O no hydrogen 2.947 N/A ASN 171.A ND2 ASN 167.A OD1 no hydrogen 3.165 N/A TYR 172.A N ILE 168.A O no hydrogen 2.786 N/A TYR 174.A OH HIS 148.A ND1 no hydrogen 3.246 N/A HIS 176.A N TYR 172.A O no hydrogen 2.952 N/A HIS 176.A NE2 GLU 165.A OE2 no hydrogen 3.027 N/A GLN 177.A N PRO 173.A O no hydrogen 3.088 N/A GLN 177.A NE2 TYR 174.A O no hydrogen 3.056 N/A TYR 178.A N TYR 174.A O no hydrogen 3.018 N/A TYR 178.A OH PHE 154.A O no hydrogen 2.704 N/A MET 179.A N MET 175.A O no hydrogen 2.927 N/A THR 180.A OG1 GLN 177.A O no hydrogen 3.227 N/A LYS 181.A NZ TYR 178.A O no hydrogen 2.812 N/A PHE 182.A N MET 179.A O no hydrogen 2.796 N/A ASN 183.A N THR 180.A O no hydrogen 3.100 N/A GLN 184.A N THR 158.A O no hydrogen 3.011 N/A GLN 184.A NE2 PHE 182.A O no hydrogen 2.856 N/A ALA 190.A N GLY 186.A O no hydrogen 3.097 N/A LEU 191.A N VAL 187.A O no hydrogen 2.944 N/A VAL 192.A N GLU 188.A O no hydrogen 3.114 N/A SER 193.A N ASP 189.A O no hydrogen 2.951 N/A SER 193.A OG.A GLN 184.A OE1 no hydrogen 3.061 N/A SER 193.A OG.A ASP 189.A O no hydrogen 3.132 N/A LEU 194.A N ALA 190.A O no hydrogen 2.931 N/A LYS 195.A N LEU 191.A O no hydrogen 3.012 N/A LYS 195.A NZ ASP 216.A OD1 no hydrogen 2.803 N/A LYS 195.A NZ ASP 216.A OD2 no hydrogen 3.139 N/A LYS 195.A NZ GLU 217.A O no hydrogen 3.549 N/A THR 196.A N VAL 192.A O no hydrogen 2.998 N/A THR 196.A OG1 VAL 192.A O no hydrogen 2.926 N/A GLY 197.A N LEU 194.A O no hydrogen 3.268 N/A LYS 198.A N SER 193.A O no hydrogen 2.813 N/A LEU 199.A N SER 193.A O no hydrogen 3.213 N/A ASP 200.A N ARG 155.A O no hydrogen 2.708 N/A ALA 201.A N ARG 155.A O no hydrogen 3.264 N/A PHE 202.A N MET 129.A O no hydrogen 2.922 N/A ILE 203.A N GLY 157.A O no hydrogen 2.960 N/A TYR 204.A N SER 127.A O no hydrogen 3.117 N/A TYR 204.A OH GLU 10.A OE2 no hydrogen 2.613 N/A ALA 206.A N GLY 125.A O no hydrogen 2.782 N/A ALA 207.A N THR 124.A OG1 no hydrogen 3.067 N/A VAL 208.A N ASP 205.A OD2 no hydrogen 2.937 N/A LEU 209.A N ASP 205.A O no hydrogen 3.028 N/A ASN 210.A N ALA 206.A O no hydrogen 2.833 N/A TYR 211.A N ALA 207.A O no hydrogen 3.132 N/A LYS 212.A N VAL 208.A O no hydrogen 2.867 N/A LYS 212.A NZ GLU 188.A OE2 no hydrogen 2.775 N/A ALA 213.A N LEU 209.A O no hydrogen 2.901 N/A GLY 214.A N ASN 210.A O no hydrogen 3.036 N/A ARG 215.A N LYS 212.A O no hydrogen 3.308 N/A ASP 216.A N ALA 213.A O no hydrogen 3.370 N/A CYS 219.A N ASP 216.A O no hydrogen 2.940 N/A CYS 219.A SG ASP 216.A O no hydrogen 3.814 N/A LYS 220.A N ASP 216.A OD2 no hydrogen 2.887 N/A LEU 221.A N ASP 216.A OD2 no hydrogen 2.773 N/A VAL 222.A N VAL 130.A O no hydrogen 2.880 N/A THR 223.A OG1 ASN 210.A OD1 no hydrogen 3.169 N/A ILE 224.A N VAL 128.A O no hydrogen 2.943 N/A TYR 228.A N ILE 224.A O no hydrogen 2.987 N/A PHE 230.A N ILE 126.A O no hydrogen 2.858 N/A THR 233.A N THR 124.A O no hydrogen 2.932 N/A THR 233.A OG1 ILE 107.A O no hydrogen 2.737 N/A GLY 234.A N THR 233.A OG1 no hydrogen 2.761 N/A TYR 235.A N VAL 122.A O no hydrogen 2.923 N/A TYR 235.A OH ASP 205.A OD2 no hydrogen 2.592 N/A GLY 236.A N LEU 105.A O no hydrogen 2.953 N/A ILE 237.A N SER 118.A OG no hydrogen 2.831 N/A ALA 238.A N ALA 101.A O no hydrogen 3.147 N/A LEU 239.A N ASP 116.A O no hydrogen 2.713 N/A GLN 240.A NE2 ALA 98.A O no hydrogen 2.957 N/A LYS 241.A NZ GLU 113.A O no hydrogen 2.798 N/A GLY 242.A N ASP 116.A OD2 no hydrogen 2.981 N/A SER 243.A N GLN 240.A O no hydrogen 2.961 N/A TRP 245.A N SER 243.A OG no hydrogen 3.171 N/A ILE 249.A N TRP 245.A O no hydrogen 3.123 N/A ASP 250.A N LYS 246.A O no hydrogen 2.860 N/A LEU 251.A N ARG 247.A O no hydrogen 3.098 N/A ALA 252.A N GLN 248.A O no hydrogen 2.921 N/A LEU 253.A N ILE 249.A O no hydrogen 2.881 N/A LEU 254.A N ASP 250.A O no hydrogen 2.939 N/A GLN 255.A N LEU 251.A O no hydrogen 2.816 N/A PHE 256.A N ALA 252.A O no hydrogen 2.893 N/A VAL 257.A N LEU 253.A O no hydrogen 3.042 N/A GLY 258.A N LEU 254.A O no hydrogen 3.001 N/A ASP 259.A N GLN 255.A O no hydrogen 2.903 N/A GLY 260.A N VAL 257.A O no hydrogen 3.041 N/A GLU 261.A N PHE 256.A O no hydrogen 2.840 N/A LEU 265.A N GLU 261.A O no hydrogen 3.299 N/A GLU 266.A N MET 262.A O no hydrogen 2.986 N/A THR 267.A N GLU 263.A O no hydrogen 2.997 N/A THR 267.A OG1 GLU 263.A O no hydrogen 2.910 N/A LEU 268.A N GLU 264.A O no hydrogen 2.908 N/A TRP 269.A N LEU 265.A O no hydrogen 2.913 N/A TRP 269.A NE1 ASP 55.A OD2 no hydrogen 2.796 N/A LEU 270.A N GLU 266.A O no hydrogen 2.812 N/A THR 271.A N GLU 266.A O no hydrogen 3.223 N/A THR 271.A OG1 THR 267.A O no hydrogen 3.285 N/A CYS 274.A N GLY 214.A O no hydrogen 2.907 N/A CYS 274.A SG ALA 213.A O no hydrogen 3.385 N/A CYS 274.A SG GLY 214.A O no hydrogen 3.470 N/A CYS 274.A SG ASP 216.A O no hydrogen 3.329 N/A