Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ygx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASP 5.A OD2 no hydrogen 3.415 N/A ARG 3.A NH1 PRO 78.A O no hydrogen 3.109 N/A ARG 3.A NH2 GLU 76.A O no hydrogen 2.685 N/A ARG 3.A NH2 PRO 78.A O no hydrogen 3.299 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.868 N/A ASP 5.A N ALA 2.A O no hydrogen 2.972 N/A VAL 6.A N ARG 3.A O no hydrogen 2.924 N/A VAL 7.A N VAL 24.A O no hydrogen 2.926 N/A ASN 9.A N GLU 22.A O no hydrogen 2.714 N/A ARG 10.A N GLU 22.A O no hydrogen 3.324 N/A LEU 12.A N VAL 20.A O no hydrogen 2.851 N/A GLY 13.A N VAL 20.A O no hydrogen 3.273 N/A GLY 15.A N GLY 18.A O no hydrogen 2.843 N/A VAL 20.A N GLY 13.A O no hydrogen 2.775 N/A TYR 21.A N VAL 37.A O no hydrogen 2.827 N/A GLU 22.A N ARG 10.A O no hydrogen 2.711 N/A GLY 23.A N VAL 35.A O no hydrogen 2.921 N/A VAL 24.A N VAL 7.A O no hydrogen 2.926 N/A TYR 25.A N ILE 33.A O no hydrogen 2.789 N/A THR 26.A N ASP 5.A O no hydrogen 2.941 N/A ASN 27.A N GLU 31.A O no hydrogen 2.908 N/A GLY 30.A N ASN 27.A O no hydrogen 2.919 N/A GLU 31.A N ASN 27.A OD1 no hydrogen 2.922 N/A LYS 32.A NZ THR 26.A OG1 no hydrogen 2.892 N/A ILE 33.A N TYR 25.A O no hydrogen 2.747 N/A VAL 35.A N GLY 23.A O no hydrogen 3.133 N/A ALA 36.A N MET 83.A O no hydrogen 2.718 N/A VAL 37.A N TYR 21.A O no hydrogen 2.726 N/A LYS 38.A N ILE 81.A O no hydrogen 2.889 N/A LYS 38.A NZ ASP 148.A OD2 no hydrogen 3.265 N/A THR 39.A N GLU 19.A O no hydrogen 3.111 N/A THR 39.A OG1 GLU 19.A O no hydrogen 2.656 N/A LYS 41.A N PHE 17.A O no hydrogen 2.827 N/A CYS 44.A N LYS 41.A O no hydrogen 3.266 N/A CYS 44.A SG LYS 41.A O no hydrogen 3.147 N/A CYS 44.A SG THR 45.A O no hydrogen 3.831 N/A ASN 48.A N THR 45.A OG1 no hydrogen 3.073 N/A LYS 49.A N THR 45.A O no hydrogen 2.850 N/A LYS 49.A NZ THR 79.A OG1 no hydrogen 3.371 N/A GLU 50.A N LEU 46.A O no hydrogen 2.983 N/A LYS 51.A N ASP 47.A O no hydrogen 3.042 N/A PHE 52.A N ASN 48.A O no hydrogen 2.993 N/A MET 53.A N LYS 49.A O no hydrogen 3.206 N/A SER 54.A N GLU 50.A O no hydrogen 2.786 N/A SER 54.A OG GLU 50.A O no hydrogen 3.464 N/A SER 54.A OG LYS 51.A O no hydrogen 3.008 N/A GLU 55.A N LYS 51.A O no hydrogen 2.836 N/A ALA 56.A N PHE 52.A O no hydrogen 3.129 N/A VAL 57.A N MET 53.A O no hydrogen 2.891 N/A ILE 58.A N SER 54.A O no hydrogen 3.221 N/A MET 59.A N GLU 55.A O no hydrogen 3.054 N/A LYS 60.A N ALA 56.A O no hydrogen 2.923 N/A ASN 61.A N VAL 57.A O no hydrogen 3.270 N/A ASN 61.A N ILE 58.A O no hydrogen 3.008 N/A ASN 61.A ND2 VAL 57.A O no hydrogen 2.825 N/A HIS 66.A N HIS 64.A ND1 no hydrogen 3.092 N/A HIS 66.A ND1 VAL 144.A O no hydrogen 3.077 N/A ILE 67.A N HIS 64.A O no hydrogen 3.016 N/A VAL 68.A N LEU 146.A O no hydrogen 3.021 N/A LYS 69.A N TYR 86.A OH no hydrogen 2.931 N/A ILE 71.A N ILE 82.A O no hydrogen 2.732 N/A GLY 72.A N ILE 82.A O no hydrogen 3.205 N/A ILE 74.A N TRP 80.A O no hydrogen 2.787 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.645 N/A TRP 80.A N ILE 74.A O no hydrogen 2.973 N/A ILE 81.A N LYS 38.A O no hydrogen 2.948 N/A ILE 82.A N GLY 72.A O no hydrogen 2.866 N/A MET 83.A N ALA 36.A O no hydrogen 2.876 N/A GLU 84.A N LYS 69.A O no hydrogen 3.074 N/A LEU 85.A N ASN 34.A O no hydrogen 2.852 N/A LEU 91.A N ILE 136.A O no hydrogen 2.766 N/A GLY 92.A N VAL 133.A O no hydrogen 3.225 N/A TYR 94.A N GLU 90.A O no hydrogen 3.066 N/A LEU 95.A N LEU 91.A O no hydrogen 2.866 N/A GLU 96.A N GLY 92.A O no hydrogen 3.189 N/A ARG 97.A N HIS 93.A O no hydrogen 3.046 N/A ARG 97.A NH2 TYR 88.A O no hydrogen 3.114 N/A ASN 98.A N TYR 94.A O no hydrogen 3.223 N/A ASN 98.A N LEU 95.A O no hydrogen 3.328 N/A ASN 98.A ND2 TYR 94.A O no hydrogen 2.791 N/A SER 101.A N ASN 98.A O no hydrogen 2.971 N/A SER 101.A OG ASN 98.A O no hydrogen 2.943 N/A LEU 102.A N ASN 98.A O no hydrogen 2.960 N/A LYS 103.A NZ LEU 102.A O no hydrogen 3.218 N/A THR 106.A N LYS 103.A O no hydrogen 2.926 N/A LEU 107.A N LYS 103.A O no hydrogen 3.348 N/A VAL 108.A N VAL 104.A O no hydrogen 2.941 N/A LEU 109.A N LEU 105.A O no hydrogen 3.106 N/A TYR 110.A N THR 106.A O no hydrogen 2.998 N/A TYR 110.A OH PRO 141.A O no hydrogen 2.779 N/A SER 111.A N LEU 107.A O no hydrogen 3.246 N/A SER 111.A OG LEU 107.A O no hydrogen 3.077 N/A LEU 112.A N VAL 108.A O no hydrogen 2.855 N/A GLN 113.A N LEU 109.A O no hydrogen 2.934 N/A GLN 113.A NE2 GLU 142.A O no hydrogen 3.163 N/A ILE 114.A N TYR 110.A O no hydrogen 3.058 N/A CYS 115.A N SER 111.A O no hydrogen 2.912 N/A CYS 115.A SG PHE 236.A O no hydrogen 3.937 N/A LYS 116.A N LEU 112.A O no hydrogen 3.033 N/A ALA 117.A N GLN 113.A O no hydrogen 3.208 N/A MET 118.A N ILE 114.A O no hydrogen 3.043 N/A ALA 119.A N CYS 115.A O no hydrogen 2.892 N/A TYR 120.A N LYS 116.A O no hydrogen 3.199 N/A LEU 121.A N ALA 117.A O no hydrogen 3.063 N/A GLU 122.A N MET 118.A O no hydrogen 2.741 N/A SER 123.A N ALA 119.A O no hydrogen 3.064 N/A SER 123.A OG TYR 120.A O no hydrogen 2.518 N/A ILE 124.A N LEU 121.A O no hydrogen 3.046 N/A ASN 125.A N GLU 122.A O no hydrogen 2.910 N/A CYS 126.A N LEU 121.A O no hydrogen 3.014 N/A CYS 126.A SG.A ILE 124.A O no hydrogen 3.700 N/A HIS 128.A N ASP 171.A OD2 no hydrogen 2.724 N/A HIS 128.A NE2 GLY 147.A O no hydrogen 2.838 N/A ARG 129.A N ASP 171.A OD1 no hydrogen 3.005 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.091 N/A VAL 133.A N GLU 181.A OE1 no hydrogen 3.278 N/A ASN 135.A N ALA 132.A O no hydrogen 2.819 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.957 N/A ASN 135.A ND2 ASP 148.A O no hydrogen 2.901 N/A ILE 136.A N VAL 133.A O no hydrogen 3.329 N/A LEU 137.A N LYS 145.A O no hydrogen 2.839 N/A VAL 138.A N GLY 89.A O no hydrogen 2.889 N/A ALA 139.A N CYS 143.A O no hydrogen 2.934 N/A SER 140.A N CYS 143.A O no hydrogen 3.290 N/A GLU 142.A N SER 140.A OG no hydrogen 3.253 N/A CYS 143.A N SER 140.A O no hydrogen 3.122 N/A CYS 143.A SG PRO 65.A O no hydrogen 3.910 N/A CYS 143.A SG HIS 66.A ND1 no hydrogen 3.862 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.969 N/A LYS 145.A N LEU 137.A O no hydrogen 2.752 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.882 N/A LEU 146.A N HIS 66.A O no hydrogen 2.929 N/A GLY 147.A N ASN 135.A O no hydrogen 2.725 N/A GLY 150.A N HIS 128.A O no hydrogen 2.860 N/A ILE 153.A N LEU 151.A O no hydrogen 2.856 N/A LYS 154.A NZ GLN 188.A OE1 no hydrogen 3.221 N/A LYS 154.A NZ PHE 190.A O no hydrogen 3.329 N/A LYS 154.A NZ LEU 193.A O no hydrogen 2.858 N/A TRP 155.A N PRO 152.A O no hydrogen 3.023 N/A TRP 155.A NE1 GLU 181.A OE2 no hydrogen 2.960 N/A MET 156.A N ILE 153.A O no hydrogen 3.127 N/A SER 157.A OG SER 160.A OG no hydrogen 2.803 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.666 N/A SER 160.A N SER 157.A OG no hydrogen 3.201 N/A SER 160.A OG SER 157.A OG no hydrogen 2.803 N/A SER 160.A OG ARG 165.A O no hydrogen 2.742 N/A ILE 161.A N SER 157.A O no hydrogen 3.107 N/A ASN 162.A N PRO 158.A O no hydrogen 2.887 N/A ASN 162.A ND2 GLU 203.A OE1 no hydrogen 3.529 N/A PHE 163.A N GLU 159.A O no hydrogen 3.119 N/A ARG 164.A N SER 160.A O no hydrogen 2.818 N/A ARG 164.A NE SER 160.A O no hydrogen 3.116 N/A ARG 165.A N GLU 159.A O no hydrogen 3.326 N/A THR 167.A N SER 170.A OG no hydrogen 2.836 N/A SER 170.A N THR 167.A OG1 no hydrogen 3.274 N/A SER 170.A OG THR 167.A O no hydrogen 2.655 N/A ASP 171.A N THR 167.A O no hydrogen 3.091 N/A VAL 172.A N THR 168.A O no hydrogen 2.987 N/A TRP 173.A N ALA 169.A O no hydrogen 3.278 N/A MET 174.A N SER 170.A O no hydrogen 3.102 N/A PHE 175.A N ASP 171.A O no hydrogen 2.748 N/A ALA 176.A N VAL 172.A O no hydrogen 3.120 N/A VAL 177.A N TRP 173.A O no hydrogen 3.206 N/A CYS 178.A N MET 174.A O no hydrogen 2.915 N/A MET 179.A N PHE 175.A O no hydrogen 2.867 N/A TRP 180.A N ALA 176.A O no hydrogen 2.843 N/A TRP 180.A NE1 PRO 209.A O no hydrogen 2.683 N/A GLU 181.A N VAL 177.A O no hydrogen 2.891 N/A ILE 182.A N CYS 178.A O no hydrogen 3.044 N/A LEU 183.A N MET 179.A O no hydrogen 2.970 N/A SER 184.A N TRP 180.A O no hydrogen 3.008 N/A SER 184.A N GLU 181.A O no hydrogen 3.237 N/A SER 184.A OG TRP 180.A O no hydrogen 2.608 N/A PHE 185.A N ILE 182.A O no hydrogen 3.042 N/A GLY 186.A N GLU 181.A O no hydrogen 2.795 N/A LEU 193.A N PHE 190.A O no hydrogen 3.059 N/A ASP 197.A N GLU 194.A O no hydrogen 2.877 N/A VAL 198.A N ASN 195.A O no hydrogen 3.166 N/A VAL 201.A N ASP 197.A O no hydrogen 3.201 N/A LEU 202.A N VAL 198.A O no hydrogen 2.895 N/A GLU 203.A N ILE 199.A O no hydrogen 2.712 N/A LYS 204.A N GLY 200.A O no hydrogen 3.122 N/A GLY 205.A N LEU 202.A O no hydrogen 3.004 N/A ASP 206.A N VAL 201.A O no hydrogen 3.231 N/A ARG 207.A NE TRP 226.A O no hydrogen 2.968 N/A ARG 207.A NH1 LEU 202.A O no hydrogen 2.984 N/A ARG 207.A NH1 ASP 206.A O no hydrogen 2.924 N/A ARG 207.A NH2 TRP 226.A O no hydrogen 3.052 N/A LYS 210.A NZ PRO 211.A O no hydrogen 3.298 N/A LYS 210.A NZ CYS 214.A O no hydrogen 2.697 N/A CYS 214.A N PRO 211.A O no hydrogen 3.006 N/A CYS 214.A SG PRO 215.A O no hydrogen 3.329 N/A LEU 218.A N PRO 215.A O no hydrogen 2.914 N/A TYR 219.A N PRO 215.A O no hydrogen 3.177 N/A TYR 219.A OH LEU 208.A O no hydrogen 2.563 N/A THR 220.A N PRO 216.A O no hydrogen 2.921 N/A THR 220.A OG1 PRO 216.A O no hydrogen 3.128 N/A LEU 221.A N VAL 217.A O no hydrogen 3.220 N/A MET 222.A N LEU 218.A O no hydrogen 2.873 N/A THR 223.A N TYR 219.A O no hydrogen 2.797 N/A THR 223.A OG1 TYR 219.A O no hydrogen 2.981 N/A ARG 224.A N THR 220.A O no hydrogen 3.159 N/A CYS 225.A N LEU 221.A O no hydrogen 3.207 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.467 N/A TRP 226.A N MET 222.A O no hydrogen 3.072 N/A TRP 226.A N THR 223.A O no hydrogen 3.182 N/A ASP 227.A N ARG 224.A O no hydrogen 3.159 N/A TYR 228.A OH GLU 203.A OE1 no hydrogen 2.657 N/A TYR 228.A OH GLU 203.A OE2 no hydrogen 2.882 N/A ASP 229.A N ASP 227.A OD1 no hydrogen 2.881 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.170 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 3.510 N/A ASP 232.A N ASP 229.A O no hydrogen 2.895 N/A ARG 233.A N PRO 230.A O no hydrogen 3.344 N/A ARG 233.A NE ASP 227.A O no hydrogen 2.875 N/A ARG 233.A NH1 GLU 159.A OE2 no hydrogen 2.814 N/A ARG 233.A NH1 ALA 169.A O no hydrogen 2.930 N/A ARG 233.A NH2 GLU 159.A OE1 no hydrogen 3.121 N/A ARG 233.A NH2 GLU 159.A OE2 no hydrogen 3.513 N/A ARG 233.A NH2 ASP 227.A O no hydrogen 3.193 N/A ARG 233.A NH2 TYR 228.A O no hydrogen 3.349 N/A ARG 235.A N GLU 238.A OE1 no hydrogen 3.068 N/A PHE 236.A N GLU 122.A OE2 no hydrogen 3.087 N/A LEU 239.A N ARG 235.A O no hydrogen 3.017 N/A VAL 240.A N PHE 236.A O no hydrogen 2.845 N/A CYS 241.A N THR 237.A O no hydrogen 3.443 N/A CYS 241.A SG THR 237.A O no hydrogen 3.501 N/A SER 242.A N GLU 238.A O no hydrogen 3.030 N/A LEU 243.A N LEU 239.A O no hydrogen 2.823 N/A SER 244.A N VAL 240.A O no hydrogen 2.835 N/A ASP 245.A N CYS 241.A O no hydrogen 3.208 N/A VAL 246.A N SER 242.A O no hydrogen 3.053 N/A TYR 247.A N LEU 243.A O no hydrogen 2.788 N/A GLN 248.A N SER 244.A O no hydrogen 3.079 N/A MET 249.A N ASP 245.A O no hydrogen 3.114 N/A GLU 250.A N VAL 246.A O no hydrogen 2.913 N/A LYS 251.A N TYR 247.A O no hydrogen 2.914 N/A LYS 251.A NZ TYR 247.A OH no hydrogen 3.088 N/A ASP 252.A N GLN 248.A O no hydrogen 3.156 N/A ILE 253.A N MET 249.A O no hydrogen 3.014 N/A ALA 254.A N GLU 250.A O no hydrogen 2.973 N/A MET 255.A N LYS 251.A O no hydrogen 3.026 N/A