Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y6b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 10.A OE1 no hydrogen 2.703 N/A LYS 8.A N ASP 5.A OD1 no hydrogen 3.400 N/A TRP 9.A N ASP 5.A O no hydrogen 3.124 N/A GLU 10.A N ALA 6.A O no hydrogen 2.849 N/A PHE 11.A N ALA 82.A O no hydrogen 2.863 N/A ARG 13.A NE PRO 89.A O no hydrogen 2.921 N/A ARG 13.A NH1 LYS 85.A O no hydrogen 2.861 N/A ARG 13.A NH2 LYS 85.A O no hydrogen 2.835 N/A ARG 13.A NH2 PRO 89.A O no hydrogen 2.808 N/A ARG 15.A N PRO 12.A O no hydrogen 3.053 N/A LEU 16.A N ARG 13.A O no hydrogen 3.145 N/A LYS 17.A N ASP 32.A O no hydrogen 2.810 N/A GLY 19.A N GLU 30.A O no hydrogen 2.689 N/A LEU 22.A N VAL 28.A O no hydrogen 2.728 N/A GLY 23.A N VAL 28.A O no hydrogen 3.066 N/A GLY 25.A N GLY 26.A O no hydrogen 3.064 N/A GLN 27.A N MET 49.A O no hydrogen 3.212 N/A VAL 28.A N GLY 23.A O no hydrogen 2.963 N/A ILE 29.A N VAL 47.A O no hydrogen 2.831 N/A GLU 30.A N LYS 20.A O no hydrogen 2.857 N/A ALA 31.A N VAL 45.A O no hydrogen 3.036 N/A ASP 32.A N LYS 17.A O no hydrogen 2.800 N/A ALA 33.A N ARG 43.A O no hydrogen 2.755 N/A PHE 34.A N ARG 15.A O no hydrogen 2.974 N/A GLY 35.A N THR 41.A O no hydrogen 2.875 N/A LYS 38.A N GLY 35.A O no hydrogen 2.901 N/A THR 39.A N ASP 37.A OD1 no hydrogen 3.006 N/A THR 39.A OG1 ASP 37.A OD1 no hydrogen 2.577 N/A THR 39.A OG1 ASP 37.A OD2 no hydrogen 3.408 N/A THR 39.A OG1 THR 41.A OG1 no hydrogen 2.919 N/A THR 41.A OG1 THR 39.A OG1 no hydrogen 2.919 N/A ARG 43.A N ALA 33.A O no hydrogen 2.907 N/A THR 44.A OG1 ASP 32.A OD1 no hydrogen 3.025 N/A VAL 45.A N ALA 31.A O no hydrogen 2.854 N/A ALA 46.A N VAL 94.A O no hydrogen 2.917 N/A VAL 47.A N ILE 29.A O no hydrogen 2.769 N/A LYS 48.A N VAL 92.A O no hydrogen 2.884 N/A LYS 48.A NZ GLU 63.A OE1 no hydrogen 2.957 N/A MET 49.A N GLN 27.A O no hydrogen 2.798 N/A LEU 50.A N LEU 90.A O no hydrogen 3.071 N/A THR 53.A N GLU 56.A OE1 no hydrogen 2.873 N/A GLU 56.A N THR 53.A OG1 no hydrogen 3.170 N/A HIS 57.A N THR 53.A O no hydrogen 2.974 N/A ARG 58.A N HIS 54.A O no hydrogen 2.807 N/A ALA 59.A N SER 55.A O no hydrogen 2.946 N/A LEU 60.A N GLU 56.A O no hydrogen 3.061 N/A MET 61.A N HIS 57.A O no hydrogen 2.903 N/A SER 62.A N ARG 58.A O no hydrogen 2.798 N/A SER 62.A OG ARG 58.A O no hydrogen 3.103 N/A GLU 63.A N ALA 59.A O no hydrogen 2.922 N/A LEU 64.A N LEU 60.A O no hydrogen 2.942 N/A LYS 65.A N MET 61.A O no hydrogen 2.999 N/A LYS 65.A NZ LEU 2.A O no hydrogen 3.035 N/A ILE 66.A N SER 62.A O no hydrogen 2.933 N/A LEU 67.A N GLU 63.A O no hydrogen 2.947 N/A ILE 68.A N LEU 64.A O no hydrogen 3.083 N/A HIS 69.A N LYS 65.A O no hydrogen 2.944 N/A ILE 70.A N ILE 66.A O no hydrogen 2.886 N/A GLY 71.A N LEU 67.A O no hydrogen 3.136 N/A HIS 73.A N ASN 78.A OD1 no hydrogen 3.123 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 3.035 N/A ASN 75.A ND2 GLN 129.A OE1 no hydrogen 2.958 N/A ASN 75.A ND2 VAL 160.A O no hydrogen 3.018 N/A VAL 76.A N HIS 73.A O no hydrogen 3.365 N/A VAL 77.A N ILE 162.A O no hydrogen 3.031 N/A ASN 78.A N GLU 95.A OE1 no hydrogen 2.843 N/A ASN 78.A ND2 HIS 73.A O no hydrogen 2.691 N/A ASN 78.A ND2 GLU 95.A OE1 no hydrogen 3.128 N/A LEU 80.A N ILE 93.A O no hydrogen 2.699 N/A GLY 81.A N ILE 93.A O no hydrogen 3.110 N/A ALA 82.A N TRP 9.A O no hydrogen 3.012 N/A CYS 83.A N MET 91.A O no hydrogen 2.796 N/A CYS 83.A SG PHE 11.A O no hydrogen 3.431 N/A THR 84.A N GLU 10.A OE2 no hydrogen 2.851 N/A THR 84.A OG1 GLU 10.A OE1 no hydrogen 2.735 N/A THR 84.A OG1 GLU 10.A OE2 no hydrogen 3.567 N/A LYS 85.A N GLU 10.A OE2 no hydrogen 3.158 N/A MET 91.A N CYS 83.A O no hydrogen 2.932 N/A VAL 92.A N LYS 48.A O no hydrogen 2.875 N/A ILE 93.A N GLY 81.A O no hydrogen 2.829 N/A VAL 94.A N ALA 46.A O no hydrogen 2.828 N/A GLU 95.A N ASN 78.A O no hydrogen 3.046 N/A PHE 99.A N LEU 154.A O no hydrogen 3.031 N/A GLY 100.A N CYS 97.A O no hydrogen 3.261 N/A ASN 101.A ND2 THR 104.A OG1 no hydrogen 2.959 N/A LEU 102.A N ILE 152.A O no hydrogen 2.827 N/A THR 104.A N ASN 101.A OD1 no hydrogen 3.026 N/A TYR 105.A N ASN 101.A O no hydrogen 3.021 N/A LEU 106.A N LEU 102.A O no hydrogen 2.870 N/A ARG 107.A N SER 103.A O no hydrogen 3.090 N/A ARG 107.A NH1 GLY 200.A O no hydrogen 3.291 N/A SER 108.A N THR 104.A O no hydrogen 3.100 N/A SER 108.A OG TYR 105.A O no hydrogen 2.578 N/A LYS 109.A N LEU 106.A O no hydrogen 2.927 N/A LYS 109.A NZ GLU 112.A OE1 no hydrogen 2.790 N/A ARG 110.A N ARG 107.A O no hydrogen 3.281 N/A ARG 110.A NE LEU 199.A O no hydrogen 2.751 N/A ARG 110.A NH2 LEU 199.A O no hydrogen 3.099 N/A GLU 112.A N LYS 109.A O no hydrogen 2.716 N/A VAL 114.A N LEU 118.A O no hydrogen 2.947 N/A LEU 118.A N GLU 112.A O no hydrogen 2.822 N/A THR 119.A N HIS 122.A ND1 no hydrogen 3.110 N/A THR 119.A OG1 HIS 122.A ND1 no hydrogen 2.872 N/A LEU 120.A N PRO 115.A O no hydrogen 2.971 N/A HIS 122.A ND1 THR 119.A OG1 no hydrogen 2.872 N/A LEU 123.A N THR 119.A O no hydrogen 3.211 N/A ILE 124.A N LEU 120.A O no hydrogen 2.909 N/A CYS 125.A N GLU 121.A O no hydrogen 2.867 N/A TYR 126.A N HIS 122.A O no hydrogen 2.853 N/A TYR 126.A OH ASN 158.A OD1 no hydrogen 2.608 N/A SER 127.A N LEU 123.A O no hydrogen 2.951 N/A SER 127.A OG LEU 123.A O no hydrogen 2.741 N/A PHE 128.A N ILE 124.A O no hydrogen 2.758 N/A GLN 129.A N CYS 125.A O no hydrogen 2.964 N/A GLN 129.A NE2 CYS 125.A O no hydrogen 3.609 N/A GLN 129.A NE2 ASN 158.A O no hydrogen 2.733 N/A VAL 130.A N TYR 126.A O no hydrogen 2.974 N/A ALA 131.A N SER 127.A O no hydrogen 3.119 N/A LYS 132.A N PHE 128.A O no hydrogen 2.943 N/A GLY 133.A N GLN 129.A O no hydrogen 2.960 N/A MET 134.A N VAL 130.A O no hydrogen 2.852 N/A GLU 135.A N ALA 131.A O no hydrogen 2.763 N/A PHE 136.A N LYS 132.A O no hydrogen 2.998 N/A LEU 137.A N GLY 133.A O no hydrogen 2.986 N/A ALA 138.A N MET 134.A O no hydrogen 2.877 N/A SER 139.A N GLU 135.A O no hydrogen 3.092 N/A SER 139.A OG PHE 136.A O no hydrogen 2.645 N/A ARG 140.A N PHE 136.A O no hydrogen 3.149 N/A ARG 140.A N LEU 137.A O no hydrogen 3.018 N/A ARG 140.A NE ILE 70.A O no hydrogen 2.935 N/A ARG 140.A NH2 HIS 69.A O no hydrogen 2.805 N/A LYS 141.A N ALA 138.A O no hydrogen 2.919 N/A CYS 142.A N LEU 137.A O no hydrogen 3.071 N/A CYS 142.A SG ARG 140.A O no hydrogen 3.976 N/A HIS 144.A N ASP 185.A OD2 no hydrogen 2.723 N/A HIS 144.A NE2 CYS 163.A O no hydrogen 2.817 N/A ARG 145.A N ASP 185.A OD1 no hydrogen 2.961 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 2.960 N/A ALA 149.A N GLU 195.A OE1 no hydrogen 2.957 N/A ARG 150.A NH2 ASP 146.A OD1 no hydrogen 2.845 N/A ASN 151.A N ALA 148.A O no hydrogen 2.831 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.782 N/A ASN 151.A ND2 ASP 146.A OD2 no hydrogen 2.984 N/A ILE 152.A N ALA 149.A O no hydrogen 3.132 N/A LEU 153.A N LYS 161.A O no hydrogen 2.733 N/A LEU 154.A N GLY 100.A O no hydrogen 2.830 N/A SER 155.A N VAL 159.A O no hydrogen 2.837 N/A VAL 159.A N GLU 156.A O no hydrogen 3.200 N/A VAL 160.A N GLN 129.A OE1 no hydrogen 3.016 N/A LYS 161.A N LEU 153.A O no hydrogen 2.831 N/A LYS 161.A NZ LEU 74.A O no hydrogen 2.709 N/A LYS 161.A NZ VAL 76.A O no hydrogen 3.383 N/A LYS 161.A NZ GLU 95.A OE1 no hydrogen 2.813 N/A LYS 161.A NZ GLU 95.A OE2 no hydrogen 3.519 N/A ILE 162.A N ASN 75.A O no hydrogen 3.032 N/A CYS 163.A N ASN 151.A O no hydrogen 2.786 N/A CYS 163.A SG ASN 151.A O no hydrogen 3.447 N/A ASP 164.A N ASP 164.A OD1 no hydrogen 2.668 N/A LYS 168.A NZ SER 202.A OG no hydrogen 3.329 N/A TRP 169.A N PRO 166.A O no hydrogen 3.025 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.880 N/A MET 170.A N LEU 167.A O no hydrogen 3.231 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.848 N/A THR 174.A N ALA 171.A O no hydrogen 2.971 N/A THR 174.A OG1 VAL 179.A O no hydrogen 2.318 N/A ILE 175.A N ALA 171.A O no hydrogen 3.156 N/A PHE 176.A N PRO 172.A O no hydrogen 2.881 N/A ASP 177.A N GLU 173.A O no hydrogen 2.850 N/A THR 181.A N SER 184.A OG no hydrogen 3.070 N/A GLN 183.A N THR 181.A OG1 no hydrogen 3.109 N/A GLN 183.A NE2 PRO 245.A O no hydrogen 3.169 N/A GLN 183.A NE2 PRO 249.A O no hydrogen 3.181 N/A SER 184.A N THR 181.A O no hydrogen 3.110 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.268 N/A SER 184.A OG THR 181.A O no hydrogen 2.984 N/A ASP 185.A N THR 181.A O no hydrogen 3.154 N/A VAL 186.A N ILE 182.A O no hydrogen 3.070 N/A TRP 187.A N GLN 183.A O no hydrogen 3.298 N/A SER 188.A N SER 184.A O no hydrogen 3.085 N/A SER 188.A OG TRP 169.A O no hydrogen 2.703 N/A SER 188.A OG SER 184.A O no hydrogen 3.364 N/A PHE 189.A N ASP 185.A O no hydrogen 2.819 N/A GLY 190.A N VAL 186.A O no hydrogen 3.054 N/A VAL 191.A N TRP 187.A O no hydrogen 3.203 N/A LEU 192.A N SER 188.A O no hydrogen 2.819 N/A LEU 193.A N PHE 189.A O no hydrogen 2.818 N/A TRP 194.A N GLY 190.A O no hydrogen 3.142 N/A TRP 194.A NE1 ARG 224.A O no hydrogen 2.904 N/A GLU 195.A N VAL 191.A O no hydrogen 2.888 N/A ILE 196.A N LEU 192.A O no hydrogen 2.820 N/A PHE 197.A N LEU 193.A O no hydrogen 2.869 N/A SER 198.A OG TRP 194.A O no hydrogen 2.925 N/A SER 198.A OG GLU 195.A O no hydrogen 2.870 N/A LEU 199.A N ILE 196.A O no hydrogen 3.020 N/A GLY 200.A N GLU 195.A O no hydrogen 2.796 N/A ALA 201.A N SER 198.A OG no hydrogen 2.999 N/A VAL 207.A N TYR 204.A O no hydrogen 3.115 N/A PHE 213.A N ASP 210.A OD1 no hydrogen 3.063 N/A CYS 214.A N ASP 210.A O no hydrogen 3.051 N/A CYS 214.A SG ASP 210.A O no hydrogen 3.577 N/A ARG 215.A N GLU 211.A O no hydrogen 2.948 N/A ARG 215.A NE GLU 212.A OE1 no hydrogen 2.563 N/A ARG 215.A NH2 GLU 212.A OE2 no hydrogen 2.807 N/A ARG 216.A N GLU 212.A O no hydrogen 2.908 N/A LEU 217.A N PHE 213.A O no hydrogen 2.945 N/A LYS 218.A N CYS 214.A O no hydrogen 3.004 N/A GLU 219.A N ARG 215.A O no hydrogen 3.017 N/A GLY 220.A N LEU 217.A O no hydrogen 3.247 N/A THR 221.A N ARG 216.A O no hydrogen 2.804 N/A THR 221.A OG1 ARG 216.A O no hydrogen 3.340 N/A ARG 222.A NE TRP 241.A O no hydrogen 3.129 N/A ARG 222.A NH1 LEU 217.A O no hydrogen 3.058 N/A ARG 222.A NH1 THR 221.A O no hydrogen 2.952 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.810 N/A TYR 228.A N PHE 197.A O no hydrogen 2.915 N/A THR 229.A N PRO 226.A O no hydrogen 3.443 N/A THR 229.A OG1 THR 230.A O no hydrogen 2.814 N/A MET 233.A N THR 230.A OG1 no hydrogen 3.071 N/A TYR 234.A N THR 230.A O no hydrogen 3.058 N/A TYR 234.A OH MET 223.A O no hydrogen 2.507 N/A GLN 235.A N PRO 231.A O no hydrogen 2.991 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.259 N/A GLN 235.A NE2 ASP 239.A OD1 no hydrogen 3.076 N/A THR 236.A N GLU 232.A O no hydrogen 3.012 N/A THR 236.A OG1 GLU 232.A O no hydrogen 2.963 N/A THR 236.A OG1 HIS 257.A NE2 no hydrogen 3.314 N/A MET 237.A N MET 233.A O no hydrogen 3.072 N/A LEU 238.A N TYR 234.A O no hydrogen 2.902 N/A ASP 239.A N GLN 235.A O no hydrogen 2.866 N/A CYS 240.A N THR 236.A O no hydrogen 3.020 N/A CYS 240.A SG THR 236.A O no hydrogen 3.340 N/A TRP 241.A N MET 237.A O no hydrogen 2.955 N/A HIS 242.A N ASP 239.A O no hydrogen 3.223 N/A GLU 244.A N HIS 242.A ND1 no hydrogen 3.059 N/A GLN 247.A N GLU 244.A O no hydrogen 2.792 N/A ARG 248.A N PRO 245.A O no hydrogen 3.304 N/A ARG 248.A NE HIS 242.A O no hydrogen 2.636 N/A ARG 248.A NH1 GLU 173.A OE2 no hydrogen 2.976 N/A ARG 248.A NH1 GLN 183.A O no hydrogen 3.046 N/A ARG 248.A NH2 GLU 173.A OE1 no hydrogen 2.966 N/A ARG 248.A NH2 HIS 242.A O no hydrogen 3.014 N/A THR 250.A N GLU 253.A OE1 no hydrogen 2.975 N/A SER 252.A OG GLU 135.A OE2 no hydrogen 2.927 N/A GLU 253.A N THR 250.A OG1 no hydrogen 3.212 N/A LEU 254.A N THR 250.A O no hydrogen 3.008 N/A VAL 255.A N PHE 251.A O no hydrogen 2.921 N/A GLU 256.A N SER 252.A O no hydrogen 3.105 N/A HIS 257.A N GLU 253.A O no hydrogen 2.823 N/A LEU 258.A N LEU 254.A O no hydrogen 2.723 N/A GLY 259.A N VAL 255.A O no hydrogen 2.952 N/A ASN 260.A N GLU 256.A O no hydrogen 3.054 N/A LEU 261.A N HIS 257.A O no hydrogen 2.952 N/A LEU 262.A N LEU 258.A O no hydrogen 2.743 N/A GLN 263.A N GLY 259.A O no hydrogen 3.031 N/A ALA 264.A N ASN 260.A O no hydrogen 2.828 N/A ASN 265.A N LEU 261.A O no hydrogen 2.950 N/A ASN 265.A ND2 GLU 121.A OE1 no hydrogen 2.719 N/A ALA 266.A N GLN 263.A O no hydrogen 3.244 N/A