Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8du9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N THR 1.A O no hydrogen 2.786 N/A VAL 6.A N ALA 2.A O no hydrogen 2.852 N/A SER 7.A N ASP 3.A O no hydrogen 3.093 N/A SER 7.A OG ASP 3.A O no hydrogen 2.604 N/A ALA 8.A N GLN 4.A O no hydrogen 3.126 N/A LEU 9.A N MET 5.A O no hydrogen 3.077 N/A LEU 10.A N VAL 6.A O no hydrogen 2.752 N/A ASP 11.A N SER 7.A O no hydrogen 2.828 N/A ALA 12.A N ALA 8.A O no hydrogen 2.921 N/A SER 19.A N ASN 91.A OD1 no hydrogen 3.080 N/A SER 25.A OG SER 22.A O no hydrogen 3.068 N/A MET 26.A N GLU 23.A O no hydrogen 3.263 N/A LEU 29.A N SER 25.A O no hydrogen 2.804 N/A LEU 30.A N MET 26.A O no hydrogen 2.820 N/A THR 31.A N MET 27.A O no hydrogen 2.942 N/A THR 31.A OG1 MET 27.A O no hydrogen 2.921 N/A ASN 32.A N GLY 28.A O no hydrogen 3.043 N/A LEU 33.A N LEU 29.A O no hydrogen 3.051 N/A ALA 34.A N LEU 30.A O no hydrogen 3.154 N/A ASP 35.A N THR 31.A O no hydrogen 3.016 N/A ARG 36.A N ASN 32.A O no hydrogen 3.169 N/A ARG 36.A NE ASN 32.A OD1 no hydrogen 3.117 N/A ARG 36.A NH1 TYR 18.A O no hydrogen 3.000 N/A ARG 36.A NH2 TYR 18.A O no hydrogen 3.124 N/A ARG 36.A NH2 ASN 32.A OD1 no hydrogen 2.734 N/A GLU 37.A N LEU 33.A O no hydrogen 2.990 N/A LEU 38.A N ALA 34.A O no hydrogen 3.020 N/A MET 41.A N GLU 37.A O no hydrogen 2.823 N/A ILE 42.A N LEU 38.A O no hydrogen 2.979 N/A ASN 43.A N VAL 39.A O no hydrogen 3.325 N/A TRP 44.A N HIS 40.A O no hydrogen 2.943 N/A ALA 45.A N MET 41.A O no hydrogen 2.929 N/A LYS 46.A N ILE 42.A O no hydrogen 3.229 N/A LYS 46.A NZ LEU 218.A O no hydrogen 2.525 N/A ARG 47.A N TRP 44.A O no hydrogen 3.001 N/A VAL 48.A N ALA 45.A O no hydrogen 3.074 N/A PHE 51.A N VAL 48.A O no hydrogen 3.066 N/A LEU 54.A N PHE 51.A O no hydrogen 3.104 N/A THR 55.A N GLU 149.A OE1 no hydrogen 3.346 N/A THR 55.A N GLU 149.A OE2 no hydrogen 3.063 N/A THR 55.A OG1 GLU 149.A OE2 no hydrogen 3.194 N/A ASP 58.A N THR 55.A OG1 no hydrogen 3.228 N/A GLN 59.A N THR 55.A O no hydrogen 3.018 N/A GLN 59.A NE2 LEU 54.A O no hydrogen 2.748 N/A VAL 60.A N LEU 56.A O no hydrogen 3.024 N/A HIS 61.A N HIS 57.A O no hydrogen 2.999 N/A LEU 62.A N ASP 58.A O no hydrogen 2.849 N/A LEU 63.A N GLN 59.A O no hydrogen 2.977 N/A GLU 64.A N VAL 60.A O no hydrogen 2.582 N/A SER 65.A N HIS 61.A O no hydrogen 3.116 N/A SER 65.A N LEU 62.A O no hydrogen 3.239 N/A SER 65.A OG HIS 61.A O no hydrogen 3.134 N/A ALA 66.A N LEU 62.A O no hydrogen 3.177 N/A TRP 67.A N LEU 63.A O no hydrogen 3.158 N/A ILE 70.A N ALA 66.A O no hydrogen 2.819 N/A LEU 71.A N TRP 67.A O no hydrogen 3.040 N/A MET 72.A N LEU 68.A O no hydrogen 2.915 N/A ILE 73.A N GLU 69.A O no hydrogen 2.863 N/A GLY 74.A N ILE 70.A O no hydrogen 3.093 N/A LEU 75.A N LEU 71.A O no hydrogen 2.992 N/A VAL 76.A N MET 72.A O no hydrogen 2.741 N/A TRP 77.A N ILE 73.A O no hydrogen 2.820 N/A ARG 78.A N GLY 74.A O no hydrogen 2.909 N/A ARG 78.A NE LEU 87.A O no hydrogen 3.044 N/A ARG 78.A NH2 LEU 87.A O no hydrogen 3.496 N/A SER 79.A N LEU 75.A O no hydrogen 2.989 N/A SER 79.A N VAL 76.A O no hydrogen 3.202 N/A SER 79.A OG LEU 75.A O no hydrogen 2.871 N/A MET 80.A N TRP 77.A O no hydrogen 3.245 N/A HIS 82.A N SER 79.A O no hydrogen 2.991 N/A LYS 85.A N HIS 82.A O no hydrogen 3.074 N/A LEU 86.A N LEU 94.A O no hydrogen 2.996 N/A LEU 87.A N SER 79.A OG no hydrogen 2.592 N/A ALA 89.A N LEU 92.A O no hydrogen 3.332 N/A LEU 92.A N ALA 89.A O no hydrogen 2.784 N/A LEU 94.A N LEU 86.A O no hydrogen 3.042 N/A ASP 95.A N GLN 98.A OE1 no hydrogen 2.837 N/A ARG 96.A NE ASP 110.A OD1 no hydrogen 2.815 N/A ARG 96.A NH2 ASP 110.A OD2 no hydrogen 2.987 N/A ASN 97.A N ASP 95.A OD1 no hydrogen 3.030 N/A GLN 98.A N ASP 95.A O no hydrogen 3.010 N/A GLN 98.A N ASP 95.A OD1 no hydrogen 3.302 N/A GLY 99.A N ARG 96.A O no hydrogen 3.203 N/A LYS 100.A N ASN 97.A O no hydrogen 3.314 N/A LYS 100.A NZ ASN 97.A OD1 no hydrogen 3.385 N/A MET 105.A N VAL 102.A O no hydrogen 3.375 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.905 N/A PHE 109.A N MET 105.A O no hydrogen 2.987 N/A ASP 110.A N VAL 106.A O no hydrogen 2.858 N/A MET 111.A N GLU 107.A O no hydrogen 3.000 N/A LEU 112.A N ILE 108.A O no hydrogen 2.946 N/A LEU 113.A N PHE 109.A O no hydrogen 3.087 N/A ALA 114.A N ASP 110.A O no hydrogen 3.025 N/A THR 115.A N MET 111.A O no hydrogen 3.168 N/A THR 115.A OG1 MET 111.A O no hydrogen 2.988 N/A THR 115.A OG1 HIS 191.A ND1 no hydrogen 2.980 N/A SER 116.A N LEU 112.A O no hydrogen 3.041 N/A SER 117.A N LEU 113.A O no hydrogen 2.877 N/A ARG 118.A N ALA 114.A O no hydrogen 2.782 N/A PHE 119.A N THR 115.A O no hydrogen 2.813 N/A ARG 120.A N SER 116.A O no hydrogen 3.108 N/A ARG 120.A NH1 MET 80.A O no hydrogen 2.769 N/A MET 121.A N SER 117.A O no hydrogen 3.017 N/A MET 122.A N ARG 118.A O no hydrogen 3.109 N/A ASN 123.A N ARG 120.A O no hydrogen 3.028 N/A LEU 124.A N PHE 119.A O no hydrogen 3.217 N/A GLN 125.A N GLU 128.A OE1 no hydrogen 2.932 N/A GLN 125.A NE2 ASN 123.A O no hydrogen 2.973 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.736 N/A PHE 129.A N GLN 125.A O no hydrogen 2.900 N/A VAL 130.A N GLY 126.A O no hydrogen 3.118 N/A CYS 131.A SG GLU 127.A O no hydrogen 3.346 N/A LEU 132.A N GLU 128.A O no hydrogen 2.953 N/A LYS 133.A N PHE 129.A O no hydrogen 2.860 N/A LYS 133.A NZ GLU 13.A OE1 no hydrogen 3.111 N/A SER 134.A N.A VAL 130.A O no hydrogen 3.160 N/A SER 134.A N.B VAL 130.A O no hydrogen 3.168 N/A SER 134.A OG.A VAL 130.A O no hydrogen 2.630 N/A SER 134.A OG.B CYS 131.A O no hydrogen 3.270 N/A ILE 135.A N CYS 131.A O no hydrogen 2.965 N/A ILE 136.A N LEU 132.A O no hydrogen 2.929 N/A LEU 137.A N LYS 133.A O no hydrogen 3.223 N/A LEU 138.A N SER 134.A O.A no hydrogen 3.222 N/A LEU 138.A N SER 134.A O.B no hydrogen 3.307 N/A LEU 138.A N ILE 135.A O no hydrogen 3.234 N/A ASN 139.A N ILE 135.A O no hydrogen 2.834 N/A ASN 139.A ND2 TYR 143.A OH no hydrogen 3.171 N/A SER 140.A N ILE 136.A O no hydrogen 3.140 N/A SER 140.A OG GLU 69.A OE1 no hydrogen 3.271 N/A SER 140.A OG GLU 69.A OE2 no hydrogen 2.640 N/A SER 140.A OG ILE 136.A O no hydrogen 3.097 N/A GLU 148.A N LEU 144.A O no hydrogen 3.100 N/A GLU 149.A N LYS 145.A O no hydrogen 2.651 N/A LYS 150.A N SER 146.A O no hydrogen 2.810 N/A ASP 151.A N LEU 147.A O no hydrogen 3.036 N/A HIS 152.A N GLU 148.A O no hydrogen 3.115 N/A HIS 152.A NE2 GLY 50.A O no hydrogen 2.876 N/A ILE 153.A N GLU 149.A O no hydrogen 3.055 N/A HIS 154.A N LYS 150.A O no hydrogen 3.031 N/A ARG 155.A N ASP 151.A O no hydrogen 3.119 N/A VAL 156.A N HIS 152.A O no hydrogen 2.979 N/A LEU 157.A N ILE 153.A O no hydrogen 2.842 N/A ASP 158.A N HIS 154.A O no hydrogen 2.890 N/A LYS 159.A N ARG 155.A O no hydrogen 3.101 N/A ILE 160.A N VAL 156.A O no hydrogen 3.010 N/A THR 161.A N LEU 157.A O no hydrogen 3.022 N/A THR 161.A OG1 LEU 157.A O no hydrogen 3.061 N/A ASP 162.A N ASP 158.A O no hydrogen 3.111 N/A THR 163.A N LYS 159.A O no hydrogen 2.946 N/A THR 163.A OG1 LYS 159.A O no hydrogen 2.945 N/A LEU 164.A N ILE 160.A O no hydrogen 2.799 N/A ILE 165.A N THR 161.A O no hydrogen 2.953 N/A HIS 166.A N ASP 162.A O no hydrogen 2.943 N/A HIS 166.A NE2 ASP 3.A OD1 no hydrogen 3.232 N/A LEU 167.A N THR 163.A O no hydrogen 3.056 N/A MET 168.A N LEU 164.A O no hydrogen 3.065 N/A ALA 169.A N ILE 165.A O no hydrogen 2.781 N/A LYS 170.A N HIS 166.A O no hydrogen 2.843 N/A LYS 170.A NZ ASP 3.A OD1 no hydrogen 3.464 N/A ALA 171.A N LEU 167.A O no hydrogen 3.108 N/A GLY 172.A N ALA 169.A O no hydrogen 3.111 N/A LEU 173.A N MET 168.A O no hydrogen 3.264 N/A THR 174.A N GLN 177.A OE1 no hydrogen 2.854 N/A THR 174.A OG1 GLN 177.A OE1 no hydrogen 3.201 N/A GLN 177.A N THR 174.A OG1 no hydrogen 3.068 N/A GLN 178.A N THR 174.A O no hydrogen 2.797 N/A GLN 178.A NE2 LEU 173.A O no hydrogen 2.915 N/A HIS 179.A N LEU 175.A O no hydrogen 3.263 N/A GLN 180.A N GLN 176.A O no hydrogen 3.056 N/A ARG 181.A N GLN 177.A O no hydrogen 2.970 N/A ARG 181.A NE GLU 128.A OE2 no hydrogen 2.679 N/A ARG 181.A NH1 MET 122.A O no hydrogen 2.703 N/A ARG 181.A NH2 MET 122.A O no hydrogen 3.206 N/A ARG 181.A NH2 ASN 123.A O no hydrogen 3.285 N/A ARG 181.A NH2 GLU 128.A OE1 no hydrogen 2.748 N/A ARG 181.A NH2 GLU 128.A OE2 no hydrogen 3.339 N/A LEU 182.A N GLN 178.A O no hydrogen 3.062 N/A ALA 183.A N HIS 179.A O no hydrogen 2.981 N/A GLN 184.A N GLN 180.A O no hydrogen 2.902 N/A LEU 185.A N ARG 181.A O no hydrogen 2.799 N/A LEU 186.A N LEU 182.A O no hydrogen 2.991 N/A LEU 187.A N ALA 183.A O no hydrogen 3.026 N/A ILE 188.A N LEU 185.A O no hydrogen 3.199 N/A LEU 189.A N LEU 186.A O no hydrogen 3.359 N/A SER 190.A N LEU 187.A O no hydrogen 3.294 N/A HIS 191.A ND1 THR 115.A OG1 no hydrogen 2.980 N/A ILE 192.A N ILE 188.A O no hydrogen 2.977 N/A ARG 193.A N.A LEU 189.A O no hydrogen 2.843 N/A ARG 193.A N.B LEU 189.A O no hydrogen 2.827 N/A ARG 193.A NH1.B SER 65.A O no hydrogen 3.336 N/A ARG 193.A NH2.B SER 140.A O no hydrogen 2.723 N/A HIS 194.A N SER 190.A O no hydrogen 2.993 N/A MET 195.A N HIS 191.A O no hydrogen 2.862 N/A SER 196.A N ILE 192.A O no hydrogen 2.934 N/A ASN 197.A N ARG 193.A O.A no hydrogen 3.129 N/A ASN 197.A N ARG 193.A O.B no hydrogen 3.105 N/A LYS 198.A N HIS 194.A O no hydrogen 3.078 N/A GLY 199.A N MET 195.A O no hydrogen 2.691 N/A MET 200.A N SER 196.A O no hydrogen 2.761 N/A GLU 201.A N ASN 197.A O no hydrogen 2.969 N/A HIS 202.A N LYS 198.A O no hydrogen 3.027 N/A LEU 203.A N GLY 199.A O no hydrogen 2.941 N/A TYR 204.A N MET 200.A O no hydrogen 3.204 N/A SER 205.A OG HIS 202.A O no hydrogen 2.885 N/A TYR 211.A OH HIS 57.A ND1 no hydrogen 2.245 N/A LEU 214.A N SER 210.A O no hydrogen 2.851 N/A LEU 215.A N TYR 211.A O no hydrogen 2.940 N/A GLU 216.A N ASP 212.A O no hydrogen 3.396 N/A MET 217.A N LEU 213.A O no hydrogen 3.308 N/A LEU 218.A N LEU 214.A O no hydrogen 2.895 N/A ASP 219.A N LEU 215.A O no hydrogen 2.644 N/A