Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLY 249.A O no hydrogen 3.070 N/A LYS 2.A NZ GLU 251.A OE1 no hydrogen 2.831 N/A TRP 3.A N ASN 17.A OD1 no hydrogen 2.966 N/A TRP 3.A NE1 GLU 251.A OE1 no hydrogen 2.895 N/A LEU 7.A N LEU 14.A O no hydrogen 2.824 N/A ARG 8.A NE THR 13.A OG1 no hydrogen 3.097 N/A ARG 8.A NH2 GLY 10.A O no hydrogen 2.264 N/A ARG 8.A NH2 THR 13.A OG1 no hydrogen 3.027 N/A CYS 9.A N TYR 12.A O no hydrogen 2.719 N/A CYS 9.A SG LEU 7.A O no hydrogen 3.960 N/A TYR 12.A N CYS 9.A O no hydrogen 3.122 N/A LEU 14.A N LEU 7.A O no hydrogen 2.832 N/A ASN 17.A N ASN 15.A OD1 no hydrogen 2.707 N/A ASN 17.A ND2 TRP 3.A O no hydrogen 2.845 N/A GLU 18.A N ASN 15.A OD1 no hydrogen 2.810 N/A THR 20.A N ASP 269.A OD1 no hydrogen 2.855 N/A THR 20.A OG1 ASP 269.A OD2 no hydrogen 2.628 N/A LEU 21.A N GLU 251.A O no hydrogen 2.891 N/A ILE 22.A N HIS 58.A ND1 no hydrogen 2.891 N/A MET 23.A N VAL 253.A O no hydrogen 2.838 N/A GLY 24.A N ILE 59.A O no hydrogen 2.833 N/A ILE 25.A N VAL 255.A O no hydrogen 2.993 N/A LEU 26.A N ASP 61.A O no hydrogen 2.876 N/A VAL 28.A N GLY 63.A O no hydrogen 3.110 N/A ASP 31.A N GLU 41.A OE1 no hydrogen 2.854 N/A SER 34.A OG ASP 31.A OD2 no hydrogen 2.552 N/A SER 34.A OG SER 38.A OG.A no hydrogen 2.930 N/A SER 38.A OG.A SER 34.A OG no hydrogen 2.930 N/A VAL 42.A N SER 38.A O no hydrogen 3.010 N/A ASP 43.A N TYR 39.A O no hydrogen 2.726 N/A ALA 44.A N ASN 40.A O no hydrogen 3.078 N/A ALA 45.A N GLU 41.A O no hydrogen 3.308 N/A VAL 46.A N VAL 42.A O no hydrogen 2.894 N/A ARG 47.A N ASP 43.A O no hydrogen 2.869 N/A HIS 48.A N ALA 44.A O no hydrogen 3.019 N/A ALA 49.A N ALA 45.A O no hydrogen 2.863 N/A LYS 50.A N VAL 46.A O no hydrogen 2.955 N/A GLU 51.A N ARG 47.A O no hydrogen 3.080 N/A MET 52.A N HIS 48.A O no hydrogen 2.960 N/A ARG 53.A N ALA 49.A O no hydrogen 2.911 N/A ARG 53.A NE ASP 54.A OD1 no hydrogen 2.896 N/A ARG 53.A NH2 ASP 54.A OD1 no hydrogen 3.015 N/A ASP 54.A N LYS 50.A O no hydrogen 2.914 N/A GLU 55.A N GLU 51.A O no hydrogen 2.942 N/A GLU 55.A N MET 52.A O no hydrogen 3.115 N/A GLY 56.A N ARG 53.A O no hydrogen 3.270 N/A ALA 57.A N MET 52.A O no hydrogen 2.980 N/A HIS 58.A N ILE 22.A O no hydrogen 2.739 N/A ILE 59.A N ILE 22.A O no hydrogen 3.159 N/A ILE 60.A N PRO 97.A O no hydrogen 3.032 N/A ASP 61.A N GLY 24.A O no hydrogen 2.887 N/A ILE 62.A N SER 99.A O no hydrogen 2.777 N/A GLY 63.A N LEU 26.A O no hydrogen 3.077 N/A SER 66.A N GLU 79.A OE1 no hydrogen 2.912 N/A SER 66.A OG GLU 79.A OE1 no hydrogen 2.908 N/A SER 66.A OG GLU 79.A OE2 no hydrogen 2.543 N/A THR 67.A OG1 ASP 101.A OD2 no hydrogen 2.801 N/A ARG 68.A N THR 67.A OG1 no hydrogen 2.737 N/A ARG 68.A NE ASP 101.A OD1 no hydrogen 3.479 N/A ARG 68.A NE ASP 101.A OD2 no hydrogen 3.006 N/A ARG 68.A NH2 ASP 101.A OD1 no hydrogen 3.169 N/A PHE 71.A N THR 67.A O no hydrogen 2.954 N/A ALA 72.A N GLU 65.A O no hydrogen 3.010 N/A SER 75.A N GLU 78.A OE2 no hydrogen 3.139 N/A SER 75.A OG GLU 78.A OE2 no hydrogen 3.346 N/A GLU 78.A N SER 75.A OG no hydrogen 3.017 N/A GLU 79.A N SER 75.A O no hydrogen 2.811 N/A ILE 80.A N VAL 76.A O no hydrogen 2.838 N/A ARG 82.A N GLU 79.A O no hydrogen 3.301 N/A ARG 82.A NE GLU 41.A OE2 no hydrogen 2.720 N/A ARG 82.A NH1 GLU 65.A OE2 no hydrogen 3.055 N/A ARG 82.A NH2 SER 34.A O no hydrogen 2.746 N/A ARG 82.A NH2 GLU 41.A OE1 no hydrogen 2.895 N/A VAL 83.A N GLU 79.A O no hydrogen 2.966 N/A VAL 84.A N ILE 80.A O no hydrogen 3.143 N/A ILE 87.A N VAL 83.A O no hydrogen 3.063 N/A GLN 88.A N VAL 84.A O no hydrogen 2.891 N/A ALA 89.A N PRO 85.A O no hydrogen 3.103 N/A VAL 90.A N MET 86.A O no hydrogen 2.840 N/A SER 91.A N ILE 87.A O no hydrogen 2.832 N/A SER 91.A OG ILE 87.A O no hydrogen 2.859 N/A SER 91.A OG GLN 88.A O no hydrogen 3.214 N/A LYS 92.A N GLN 88.A O no hydrogen 3.211 N/A GLU 93.A N ALA 89.A O no hydrogen 3.033 N/A GLU 93.A N VAL 90.A O no hydrogen 3.267 N/A VAL 94.A N VAL 90.A O no hydrogen 2.800 N/A LYS 95.A NZ SER 91.A O no hydrogen 2.703 N/A LYS 95.A NZ LYS 92.A O no hydrogen 3.088 N/A LEU 96.A N VAL 94.A O no hydrogen 2.890 N/A ILE 98.A N HIS 117.A ND1 no hydrogen 2.979 N/A SER 99.A N ILE 60.A O no hydrogen 2.859 N/A SER 99.A OG ASP 61.A OD2 no hydrogen 2.666 N/A ILE 100.A N ILE 118.A O no hydrogen 2.863 N/A ASP 101.A N ILE 62.A O no hydrogen 2.887 N/A THR 102.A N ASN 120.A O no hydrogen 3.037 N/A LYS 104.A N THR 102.A OG1 no hydrogen 3.131 N/A LYS 104.A NZ GLU 79.A OE2 no hydrogen 3.172 N/A ALA 105.A N GLU 128.A OE1 no hydrogen 2.884 N/A ALA 108.A N LYS 104.A O no hydrogen 2.985 N/A LYS 109.A N ALA 105.A O no hydrogen 2.932 N/A GLN 110.A N GLU 106.A O no hydrogen 3.041 N/A GLN 110.A NE2 GLU 106.A OE2 no hydrogen 3.077 N/A ALA 111.A N VAL 107.A O no hydrogen 2.841 N/A ILE 112.A N ALA 108.A O no hydrogen 2.969 N/A GLU 113.A N LYS 109.A O no hydrogen 2.999 N/A ALA 114.A N GLN 110.A O no hydrogen 2.924 N/A ALA 114.A N ALA 111.A O no hydrogen 3.109 N/A GLY 115.A N ILE 112.A O no hydrogen 2.995 N/A ALA 116.A N ALA 111.A O no hydrogen 2.907 N/A HIS 117.A N ILE 98.A O no hydrogen 2.759 N/A ILE 118.A N ILE 98.A O no hydrogen 3.099 N/A ILE 119.A N PRO 141.A O no hydrogen 2.927 N/A ASN 120.A N ILE 100.A O no hydrogen 2.881 N/A ASN 120.A ND2 ASP 61.A OD1 no hydrogen 3.565 N/A ASN 120.A ND2 ASP 61.A OD2 no hydrogen 3.136 N/A ASP 121.A N ILE 143.A O no hydrogen 2.986 N/A TRP 123.A N ASP 121.A OD2 no hydrogen 2.708 N/A GLY 124.A N ASP 121.A O no hydrogen 3.029 N/A ALA 125.A N ASP 121.A OD1 no hydrogen 2.672 N/A LYS 126.A N TRP 123.A O no hydrogen 2.952 N/A LYS 126.A NZ ASP 163.A O no hydrogen 2.864 N/A ILE 131.A N GLU 128.A O no hydrogen 2.866 N/A ALA 132.A N PRO 129.A O no hydrogen 2.956 N/A VAL 134.A N LYS 130.A O no hydrogen 3.029 N/A ALA 135.A N ILE 131.A O no hydrogen 2.962 N/A ALA 136.A N ALA 132.A O no hydrogen 2.904 N/A HIS 137.A N GLU 133.A O no hydrogen 2.944 N/A TYR 138.A N VAL 134.A O no hydrogen 3.082 N/A TYR 138.A OH GLU 113.A OE2 no hydrogen 2.573 N/A ASP 139.A N ALA 136.A O no hydrogen 3.230 N/A VAL 140.A N ALA 135.A O no hydrogen 3.250 N/A ILE 142.A N ASN 180.A O no hydrogen 2.791 N/A ILE 143.A N ILE 119.A O no hydrogen 2.775 N/A LEU 144.A N ILE 182.A O no hydrogen 2.785 N/A MET 145.A N ASP 121.A O no hydrogen 3.210 N/A HIS 146.A N ASP 184.A O no hydrogen 2.734 N/A HIS 146.A NE2 ASP 163.A OD2 no hydrogen 2.820 N/A ASN 147.A ND2 ILE 122.A O no hydrogen 2.996 N/A ARG 148.A N ASN 147.A OD1 no hydrogen 2.852 N/A ARG 148.A NE ASP 163.A OD2 no hydrogen 2.547 N/A ARG 148.A NH1 ASN 150.A OD1 no hydrogen 3.195 N/A ARG 148.A NH2 ASP 163.A OD1 no hydrogen 3.435 N/A ARG 148.A NH2 ASP 163.A OD2 no hydrogen 3.198 N/A ASN 150.A ND2 ASP 149.A OD1 no hydrogen 3.229 N/A ASN 152.A N ASN 150.A OD1 no hydrogen 2.996 N/A TYR 153.A OH ALA 190.A O no hydrogen 2.729 N/A ARG 154.A N ASP 159.A OD2 no hydrogen 2.721 N/A ASN 155.A N ASP 159.A OD2 no hydrogen 2.986 N/A ALA 158.A N ASN 155.A OD1 no hydrogen 3.128 N/A ASP 159.A N ASN 155.A O no hydrogen 2.797 N/A MET 160.A N.A LEU 156.A O no hydrogen 2.827 N/A MET 160.A N.B LEU 156.A O no hydrogen 2.815 N/A ILE 161.A N MET 157.A O no hydrogen 3.040 N/A ALA 162.A N ALA 158.A O no hydrogen 3.066 N/A ASP 163.A N ASP 159.A O no hydrogen 2.824 N/A LEU 164.A N MET 160.A O.A no hydrogen 2.816 N/A LEU 164.A N MET 160.A O.B no hydrogen 2.884 N/A TYR 165.A N ILE 161.A O no hydrogen 2.926 N/A ASP 166.A N ALA 162.A O no hydrogen 3.022 N/A SER 167.A N ASP 163.A O no hydrogen 3.173 N/A SER 167.A OG GLY 124.A O no hydrogen 2.748 N/A ILE 168.A N LEU 164.A O no hydrogen 2.913 N/A LYS 169.A N TYR 165.A O no hydrogen 2.845 N/A LYS 169.A NZ ASP 173.A OD1 no hydrogen 2.694 N/A LYS 169.A NZ ASP 173.A OD2 no hydrogen 2.930 N/A ILE 170.A N ASP 166.A O no hydrogen 3.168 N/A ALA 171.A N SER 167.A O no hydrogen 2.980 N/A LYS 172.A N ILE 168.A O no hydrogen 2.815 N/A LYS 172.A NZ ASP 178.A OD1 no hydrogen 2.818 N/A LYS 172.A NZ ASP 178.A OD2 no hydrogen 3.258 N/A ASP 173.A N LYS 169.A O no hydrogen 2.838 N/A ALA 174.A N ILE 170.A O no hydrogen 3.172 N/A ALA 174.A N ALA 171.A O no hydrogen 3.143 N/A GLY 175.A N LYS 172.A O no hydrogen 2.960 N/A VAL 176.A N ALA 171.A O no hydrogen 2.958 N/A ARG 177.A NE ASP 139.A OD1 no hydrogen 3.005 N/A ARG 177.A NH2 ASP 139.A OD1 no hydrogen 2.997 N/A ARG 177.A NH2 ASP 139.A OD2 no hydrogen 3.318 N/A ASN 180.A N ARG 177.A O no hydrogen 2.886 N/A ILE 181.A N ASP 178.A O no hydrogen 3.064 N/A ILE 182.A N ILE 142.A O no hydrogen 3.053 N/A LEU 183.A N PRO 212.A O no hydrogen 2.873 N/A ASP 184.A N LEU 144.A O no hydrogen 3.072 N/A GLY 186.A N ASP 184.A OD2 no hydrogen 2.900 N/A GLY 188.A N ASN 196.A OD1 no hydrogen 2.774 N/A PHE 189.A N GLY 186.A O no hydrogen 3.056 N/A LYS 191.A NZ HIS 146.A ND1 no hydrogen 2.927 N/A LYS 191.A NZ PRO 185.A O no hydrogen 3.292 N/A LYS 191.A NZ GLY 186.A O no hydrogen 2.832 N/A LYS 191.A NZ PHE 189.A O no hydrogen 2.828 N/A THR 192.A N GLN 195.A OE1 no hydrogen 2.915 N/A THR 192.A OG1 GLU 194.A OE1 no hydrogen 3.535 N/A GLN 195.A N THR 192.A OG1 no hydrogen 2.988 N/A ASN 196.A N THR 192.A O no hydrogen 2.886 N/A LEU 197.A N PRO 193.A O no hydrogen 3.089 N/A GLU 198.A N GLU 194.A O no hydrogen 3.010 N/A ALA 199.A N GLN 195.A O no hydrogen 2.875 N/A MET 200.A N ASN 196.A O no hydrogen 3.023 N/A ARG 201.A N LEU 197.A O no hydrogen 2.929 N/A ASN 202.A N GLU 198.A O no hydrogen 3.118 N/A ASN 202.A N ALA 199.A O no hydrogen 3.225 N/A ASN 202.A ND2 GLU 198.A O no hydrogen 2.804 N/A LEU 203.A N MET 200.A O no hydrogen 3.370 N/A GLU 204.A N GLU 204.A OE2 no hydrogen 2.789 N/A GLN 205.A N ASN 202.A O no hydrogen 2.991 N/A GLN 205.A NE2 ASN 202.A OD1 no hydrogen 3.647 N/A LEU 206.A N LEU 203.A O no hydrogen 3.109 N/A ASN 207.A N GLU 204.A O no hydrogen 3.094 N/A ASN 207.A ND2 LYS 248.A O no hydrogen 3.017 N/A VAL 208.A N GLN 205.A O no hydrogen 3.243 N/A LEU 209.A N LEU 206.A O no hydrogen 3.234 N/A GLY 210.A N ASN 207.A O no hydrogen 3.078 N/A TYR 211.A OH ASP 178.A OD1 no hydrogen 2.663 N/A VAL 213.A N GLU 251.A OE2 no hydrogen 2.877 N/A LEU 214.A N LEU 183.A O no hydrogen 2.749 N/A LEU 215.A N PHE 252.A O no hydrogen 2.919 N/A THR 217.A OG1 THR 241.A OG1 no hydrogen 2.612 N/A SER 218.A OG HIS 256.A ND1 no hydrogen 2.611 N/A ARG 219.A N THR 238.A OG1 no hydrogen 2.982 N/A ARG 219.A NE ASP 257.A OD1 no hydrogen 3.217 N/A ARG 219.A NH2 ASP 257.A OD2 no hydrogen 2.939 N/A LYS 220.A N THR 217.A O no hydrogen 3.125 N/A ILE 223.A N LYS 220.A O no hydrogen 3.019 N/A HIS 225.A N SER 221.A O no hydrogen 2.873 N/A VAL 226.A N PHE 222.A O no hydrogen 3.121 N/A LEU 227.A N ILE 223.A O no hydrogen 3.012 N/A ASP 228.A N GLY 224.A O no hydrogen 2.679 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.801 N/A GLU 233.A N PRO 230.A O no hydrogen 2.850 N/A ARG 234.A NE LEU 229.A O no hydrogen 2.989 N/A ARG 234.A NH1 ARG 219.A O no hydrogen 2.861 N/A ARG 234.A NH2 LEU 229.A O no hydrogen 2.999 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.861 N/A THR 238.A N ARG 234.A O no hydrogen 2.785 N/A THR 238.A OG1 ARG 234.A O no hydrogen 2.904 N/A GLY 239.A N LEU 235.A O no hydrogen 2.789 N/A ALA 240.A N GLU 236.A O no hydrogen 2.959 N/A THR 241.A N GLY 237.A O no hydrogen 3.256 N/A THR 241.A OG1 THR 217.A OG1 no hydrogen 2.612 N/A THR 241.A OG1 THR 238.A O no hydrogen 2.605 N/A VAL 242.A N THR 238.A O no hydrogen 2.934 N/A CYS 243.A N GLY 239.A O no hydrogen 2.925 N/A CYS 243.A SG GLY 239.A O no hydrogen 3.393 N/A LEU 244.A N ALA 240.A O no hydrogen 2.955 N/A GLY 245.A N THR 241.A O no hydrogen 2.871 N/A ILE 246.A N VAL 242.A O no hydrogen 2.967 N/A GLU 247.A N CYS 243.A O no hydrogen 3.048 N/A LYS 248.A N LEU 244.A O no hydrogen 2.964 N/A LYS 248.A NZ ARG 201.A O no hydrogen 2.991 N/A LYS 248.A NZ GLU 204.A OE2 no hydrogen 2.893 N/A GLY 249.A N ILE 246.A O no hydrogen 2.996 N/A CYS 250.A N GLY 245.A O no hydrogen 3.082 N/A CYS 250.A SG.A PHE 252.A O no hydrogen 3.723 N/A CYS 250.A SG.B GLY 245.A O no hydrogen 3.422 N/A GLU 251.A N VAL 213.A O no hydrogen 2.825 N/A PHE 252.A N VAL 213.A O no hydrogen 3.199 N/A VAL 253.A N LEU 21.A O no hydrogen 2.953 N/A ARG 254.A N LEU 215.A O no hydrogen 2.901 N/A ARG 254.A NE ASP 61.A OD1 no hydrogen 2.882 N/A ARG 254.A NH2 ASP 61.A OD1 no hydrogen 3.055 N/A VAL 255.A N MET 23.A O no hydrogen 2.852 N/A HIS 256.A N SER 218.A OG no hydrogen 3.111 N/A HIS 256.A ND1 SER 218.A OG no hydrogen 2.611 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.623 N/A MET 261.A N ASP 257.A O no hydrogen 2.980 N/A SER 262.A N VAL 258.A O no hydrogen 2.783 N/A SER 262.A OG GLU 55.A O no hydrogen 3.490 N/A SER 262.A OG VAL 258.A O no hydrogen 2.793 N/A ARG 263.A N LYS 259.A O no hydrogen 3.384 N/A MET 264.A N GLU 260.A O no hydrogen 3.096 N/A ALA 265.A N MET 261.A O no hydrogen 2.907 N/A LYS 266.A N SER 262.A O no hydrogen 2.990 N/A MET 267.A N ARG 263.A O no hydrogen 3.037 N/A MET 268.A N MET 264.A O no hydrogen 2.904 N/A ASP 269.A N ALA 265.A O no hydrogen 2.802 N/A ALA 270.A N LYS 266.A O no hydrogen 3.107 N/A MET 271.A N MET 267.A O no hydrogen 3.115 N/A ILE 272.A N MET 268.A O no hydrogen 2.922 N/A GLY 273.A N ASP 269.A O no hydrogen 3.062 N/A LYS 274.A N ASP 269.A O no hydrogen 2.878 N/A LYS 274.A NZ THR 20.A OG1 no hydrogen 2.956 N/A LYS 274.A NZ CYS 250.A O no hydrogen 3.123 N/A