Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N VAL 69.A O no hydrogen 2.869 N/A ARG 6.A NH1 PRO 75.A O no hydrogen 2.735 N/A ARG 6.A NH2 PRO 75.A O no hydrogen 3.062 N/A ASP 8.A N GLU 5.A O no hydrogen 2.596 N/A ILE 9.A N ARG 6.A O no hydrogen 3.276 N/A THR 10.A N VAL 27.A O no hydrogen 2.740 N/A LYS 12.A N VAL 25.A O no hydrogen 3.160 N/A LEU 15.A N VAL 23.A O no hydrogen 2.773 N/A GLN 19.A N GLY 16.A O no hydrogen 3.458 N/A TYR 20.A OH ARG 132.A O no hydrogen 2.875 N/A TYR 24.A N VAL 37.A O no hydrogen 3.043 N/A VAL 25.A N HIS 13.A O no hydrogen 2.952 N/A GLY 26.A N VAL 35.A O no hydrogen 2.523 N/A VAL 27.A N THR 10.A O no hydrogen 2.765 N/A TRP 28.A N LEU 33.A O no hydrogen 2.911 N/A LYS 29.A N ASP 8.A O no hydrogen 3.117 N/A SER 32.A N LYS 29.A O no hydrogen 3.380 N/A LEU 33.A N TRP 28.A O no hydrogen 3.096 N/A VAL 35.A N GLY 26.A O no hydrogen 2.641 N/A ALA 36.A N THR 80.A O no hydrogen 3.145 N/A VAL 37.A N TYR 24.A O no hydrogen 2.886 N/A LYS 38.A N ILE 78.A O no hydrogen 2.862 N/A THR 39.A N GLU 22.A O no hydrogen 2.831 N/A THR 39.A OG1 LEU 40.A O no hydrogen 3.436 N/A THR 39.A OG1 PHE 76.A O no hydrogen 3.169 N/A GLU 44.A N THR 42.A O no hydrogen 2.304 N/A PHE 48.A N GLU 44.A O no hydrogen 3.033 N/A LEU 49.A N VAL 45.A O no hydrogen 3.035 N/A LYS 50.A N GLU 46.A O no hydrogen 3.278 N/A GLU 51.A N GLU 47.A O no hydrogen 3.319 N/A ALA 52.A N PHE 48.A O no hydrogen 2.905 N/A ALA 53.A N LEU 49.A O no hydrogen 2.763 N/A VAL 54.A N LYS 50.A O no hydrogen 3.194 N/A MET 55.A N GLU 51.A O no hydrogen 3.347 N/A LYS 56.A N ALA 53.A O no hydrogen 3.205 N/A GLU 57.A N VAL 54.A O no hydrogen 2.926 N/A LYS 59.A N TYR 118.A OH no hydrogen 2.868 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 3.026 N/A ASN 62.A ND2 GLN 111.A OE1 no hydrogen 3.290 N/A ASN 62.A ND2 VAL 142.A O no hydrogen 2.844 N/A LEU 63.A N HIS 60.A O no hydrogen 3.132 N/A VAL 64.A N VAL 144.A O no hydrogen 3.108 N/A GLN 65.A N GLU 81.A OE2 no hydrogen 3.349 N/A GLN 65.A NE2 LEU 66.A O no hydrogen 2.625 N/A LEU 67.A N VAL 79.A O no hydrogen 2.672 N/A GLY 68.A N VAL 79.A O no hydrogen 3.068 N/A VAL 69.A N TRP 2.A O no hydrogen 3.296 N/A CYS 70.A N TYR 77.A O no hydrogen 3.139 N/A CYS 70.A SG MET 4.A O no hydrogen 3.278 N/A THR 71.A N GLU 3.A OE1 no hydrogen 2.953 N/A THR 71.A OG1 GLU 3.A OE2 no hydrogen 2.729 N/A TYR 77.A N CYS 70.A O no hydrogen 2.774 N/A ILE 78.A N LYS 38.A O no hydrogen 2.740 N/A VAL 79.A N GLY 68.A O no hydrogen 2.834 N/A THR 80.A N ALA 36.A O no hydrogen 3.182 N/A GLU 81.A N GLN 65.A O no hydrogen 2.906 N/A TYR 85.A N VAL 136.A O no hydrogen 3.090 N/A TYR 85.A OH GLU 138.A OE1 no hydrogen 3.311 N/A TYR 85.A OH GLU 138.A OE2 no hydrogen 2.986 N/A GLY 86.A N MET 83.A O no hydrogen 3.320 N/A ASN 87.A ND2 ASP 90.A OD2 no hydrogen 2.827 N/A LEU 88.A N CYS 134.A O no hydrogen 2.916 N/A LEU 89.A N ALA 131.A O no hydrogen 3.265 N/A ASP 90.A N ASN 87.A OD1 no hydrogen 2.988 N/A TYR 91.A N ASN 87.A O no hydrogen 3.121 N/A TYR 91.A OH HIS 140.A NE2 no hydrogen 3.055 N/A LEU 92.A N LEU 88.A O no hydrogen 2.833 N/A ARG 93.A N LEU 89.A O no hydrogen 3.102 N/A ARG 93.A NE GLY 201.A O no hydrogen 2.671 N/A ARG 93.A NH2 GLY 201.A O no hydrogen 3.289 N/A GLU 94.A N ASP 90.A O no hydrogen 2.910 N/A GLU 94.A N TYR 91.A O no hydrogen 3.061 N/A CYS 95.A N LEU 92.A O no hydrogen 3.442 N/A CYS 95.A SG LEU 92.A O no hydrogen 3.151 N/A GLU 98.A N ASN 96.A OD1 no hydrogen 3.277 N/A GLU 99.A N ASN 96.A O no hydrogen 2.789 N/A VAL 100.A N ASN 96.A O no hydrogen 2.778 N/A LEU 105.A N THR 101.A O no hydrogen 2.999 N/A LEU 106.A N ALA 102.A O no hydrogen 2.987 N/A TYR 107.A N VAL 103.A O no hydrogen 2.916 N/A MET 108.A N VAL 104.A O no hydrogen 2.931 N/A ALA 109.A N LEU 105.A O no hydrogen 3.077 N/A THR 110.A N LEU 106.A O no hydrogen 2.898 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.767 N/A GLN 111.A N TYR 107.A O no hydrogen 3.054 N/A GLN 111.A NE2 TYR 107.A O no hydrogen 3.149 N/A GLN 111.A NE2 HIS 140.A O no hydrogen 2.974 N/A ILE 112.A N MET 108.A O no hydrogen 3.209 N/A SER 113.A N ALA 109.A O no hydrogen 2.986 N/A SER 113.A OG ALA 109.A O no hydrogen 2.782 N/A SER 113.A OG THR 110.A O no hydrogen 2.807 N/A SER 114.A N THR 110.A O no hydrogen 3.095 N/A ALA 115.A N GLN 111.A O no hydrogen 3.311 N/A MET 116.A N ILE 112.A O no hydrogen 3.023 N/A GLU 117.A N SER 113.A O no hydrogen 2.853 N/A TYR 118.A N SER 114.A O no hydrogen 3.199 N/A LEU 119.A N ALA 115.A O no hydrogen 3.102 N/A GLU 120.A N MET 116.A O no hydrogen 2.962 N/A LYS 121.A N GLU 117.A O no hydrogen 2.996 N/A LYS 122.A N TYR 118.A O no hydrogen 2.947 N/A ASN 123.A N GLU 120.A O no hydrogen 3.007 N/A ASN 123.A ND2 MET 153.A O no hydrogen 2.909 N/A ASN 123.A ND2 GLY 155.A O no hydrogen 3.221 N/A PHE 124.A N LEU 119.A O no hydrogen 2.891 N/A ILE 125.A N ARG 151.A O no hydrogen 2.848 N/A HIS 126.A N ASP 186.A OD2 no hydrogen 2.627 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.731 N/A ARG 127.A N ASP 186.A OD1 no hydrogen 3.167 N/A ARG 127.A NH1 LEU 149.A O no hydrogen 3.341 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.054 N/A ALA 131.A N GLU 196.A OE2 no hydrogen 2.882 N/A ARG 132.A NH2 ASP 128.A OD1 no hydrogen 3.148 N/A ASN 133.A N ALA 130.A O no hydrogen 2.703 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.687 N/A CYS 134.A N ALA 131.A O no hydrogen 3.260 N/A CYS 134.A SG ALA 130.A O no hydrogen 3.803 N/A LEU 135.A N LYS 143.A O no hydrogen 2.795 N/A VAL 136.A N GLY 86.A O no hydrogen 2.778 N/A GLY 137.A N VAL 141.A O no hydrogen 2.915 N/A VAL 141.A N GLU 138.A O no hydrogen 3.146 N/A VAL 142.A N GLN 111.A OE1 no hydrogen 2.835 N/A LYS 143.A N LEU 135.A O no hydrogen 2.955 N/A VAL 144.A N ASN 62.A O no hydrogen 2.777 N/A ALA 145.A N ASN 133.A O no hydrogen 2.924 N/A SER 150.A N PHE 147.A O no hydrogen 3.020 N/A SER 150.A OG HIS 126.A O no hydrogen 3.097 N/A SER 150.A OG PHE 147.A O no hydrogen 3.348 N/A ARG 151.A N ILE 125.A O no hydrogen 2.877 N/A MET 153.A N ASN 123.A O no hydrogen 3.005 N/A MET 153.A SD GLY 155.A O no hydrogen 3.980 N/A TYR 158.A N PHE 181.A O no hydrogen 2.757 N/A ALA 160.A N ASN 179.A O no hydrogen 2.974 N/A ALA 164.A N HIS 161.A O no hydrogen 3.067 N/A LYS 169.A NZ PRO 204.A O no hydrogen 2.678 N/A TRP 170.A N PRO 167.A O no hydrogen 3.044 N/A TRP 170.A NE1 GLU 196.A OE2 no hydrogen 3.025 N/A THR 171.A N ILE 168.A O no hydrogen 3.075 N/A THR 171.A OG1 PRO 167.A O no hydrogen 2.867 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.837 N/A SER 175.A N ALA 172.A O no hydrogen 2.986 N/A SER 175.A OG THR 180.A O no hydrogen 2.663 N/A LEU 176.A N ALA 172.A O no hydrogen 3.050 N/A ALA 177.A N PRO 173.A O no hydrogen 2.780 N/A TYR 178.A N GLU 174.A O no hydrogen 2.900 N/A ASN 179.A ND2 ALA 160.A O no hydrogen 3.240 N/A THR 180.A N GLU 174.A O no hydrogen 3.426 N/A THR 180.A OG1 TYR 178.A O no hydrogen 3.242 N/A PHE 181.A N TYR 158.A O no hydrogen 2.787 N/A SER 182.A N SER 185.A OG no hydrogen 3.336 N/A LYS 184.A NZ ARG 248.A O no hydrogen 3.153 N/A SER 185.A N SER 182.A O no hydrogen 3.013 N/A SER 185.A N SER 182.A OG no hydrogen 3.078 N/A SER 185.A OG SER 182.A O no hydrogen 2.895 N/A ASP 186.A N SER 182.A O no hydrogen 3.196 N/A VAL 187.A N ILE 183.A O no hydrogen 2.973 N/A TRP 188.A N LYS 184.A O no hydrogen 3.161 N/A ALA 189.A N SER 185.A O no hydrogen 3.143 N/A PHE 190.A N ASP 186.A O no hydrogen 2.946 N/A GLY 191.A N VAL 187.A O no hydrogen 3.140 N/A VAL 192.A N TRP 188.A O no hydrogen 3.296 N/A LEU 193.A N ALA 189.A O no hydrogen 2.777 N/A LEU 194.A N PHE 190.A O no hydrogen 2.727 N/A TRP 195.A N GLY 191.A O no hydrogen 2.991 N/A TRP 195.A NE1 GLU 224.A O no hydrogen 3.154 N/A GLU 196.A N VAL 192.A O no hydrogen 2.900 N/A ILE 197.A N LEU 193.A O no hydrogen 2.980 N/A ALA 198.A N LEU 194.A O no hydrogen 2.889 N/A THR 199.A N TRP 195.A O no hydrogen 3.105 N/A THR 199.A OG1 TRP 195.A O no hydrogen 2.874 N/A THR 199.A OG1 GLU 196.A O no hydrogen 3.080 N/A TYR 200.A N ILE 197.A O no hydrogen 3.064 N/A TYR 200.A OH VAL 100.A O no hydrogen 2.665 N/A GLY 201.A N GLU 196.A O no hydrogen 2.914 N/A MET 202.A N THR 199.A OG1 no hydrogen 3.170 N/A ILE 208.A N TYR 205.A O no hydrogen 2.931 N/A SER 211.A N ASP 209.A OD1 no hydrogen 2.809 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.929 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 2.987 N/A GLN 212.A N ASP 209.A O no hydrogen 2.642 N/A VAL 213.A N LEU 210.A O no hydrogen 3.157 N/A LEU 216.A N GLN 212.A O no hydrogen 2.892 N/A LEU 217.A N VAL 213.A O no hydrogen 2.861 N/A GLU 218.A N TYR 214.A O no hydrogen 2.773 N/A LYS 219.A N ASP 215.A O.A no hydrogen 3.094 N/A LYS 219.A N ASP 215.A O.B no hydrogen 3.041 N/A LYS 219.A NZ ASP 215.A OD1.B no hydrogen 2.886 N/A GLY 220.A N LEU 217.A O no hydrogen 2.877 N/A TYR 221.A N LEU 216.A O no hydrogen 2.912 N/A ARG 222.A NE TRP 241.A O no hydrogen 2.853 N/A ARG 222.A NH1 LEU 217.A O no hydrogen 2.982 N/A ARG 222.A NH1 TYR 221.A O no hydrogen 2.701 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.986 N/A GLN 225.A NE2 CYS 229.A O no hydrogen 2.693 N/A CYS 229.A N PRO 226.A O no hydrogen 3.156 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.881 N/A TYR 234.A N PRO 230.A O no hydrogen 2.978 N/A TYR 234.A OH MET 223.A O no hydrogen 2.614 N/A GLU 235.A N PRO 231.A O no hydrogen 2.815 N/A LEU 236.A N LYS 232.A O no hydrogen 3.072 N/A MET 237.A N VAL 233.A O no hydrogen 2.878 N/A ARG 238.A N TYR 234.A O no hydrogen 2.884 N/A ARG 238.A NH1 TYR 234.A OH no hydrogen 3.014 N/A ALA 239.A N GLU 235.A O no hydrogen 2.960 N/A CYS 240.A N LEU 236.A O no hydrogen 3.170 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.271 N/A TRP 241.A N ARG 238.A O no hydrogen 2.980 N/A LYS 242.A N ALA 239.A O no hydrogen 3.295 N/A ASP 247.A N SER 244.A O no hydrogen 3.036 N/A ARG 248.A N PRO 245.A O no hydrogen 3.249 N/A ARG 248.A NE LYS 242.A O no hydrogen 2.895 N/A ARG 248.A NH1 GLU 174.A OE1 no hydrogen 3.445 N/A ARG 248.A NH1 GLU 174.A OE2 no hydrogen 2.969 N/A ARG 248.A NH1 LYS 184.A O no hydrogen 3.047 N/A ARG 248.A NH2 GLU 174.A OE1 no hydrogen 3.009 N/A ARG 248.A NH2 LYS 242.A O no hydrogen 3.191 N/A SER 250.A N GLU 253.A OE2 no hydrogen 2.964 N/A SER 250.A OG GLU 253.A OE2 no hydrogen 3.472 N/A PHE 251.A N GLU 120.A OE2 no hydrogen 2.744 N/A ALA 252.A N GLU 120.A OE1 no hydrogen 3.053 N/A GLU 253.A N SER 250.A OG no hydrogen 2.866 N/A THR 254.A N SER 250.A O no hydrogen 2.946 N/A THR 254.A OG1 SER 250.A O no hydrogen 3.140 N/A HIS 255.A N PHE 251.A O no hydrogen 3.114 N/A GLN 256.A N ALA 252.A O no hydrogen 2.970 N/A ALA 257.A N GLU 253.A O no hydrogen 2.931 N/A PHE 258.A N THR 254.A O no hydrogen 3.096 N/A GLU 259.A N HIS 255.A O no hydrogen 2.937 N/A THR 260.A N GLN 256.A O no hydrogen 3.048 N/A THR 260.A OG1 GLN 256.A O no hydrogen 3.290 N/A MET 261.A N ALA 257.A O no hydrogen 3.000 N/A PHE 262.A N PHE 258.A O no hydrogen 2.752 N/A HIS 263.A N THR 260.A O no hydrogen 3.062 N/A ASP 264.A N THR 260.A O no hydrogen 3.144 N/A