Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2exe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N LEU 3.A O no hydrogen 3.299 N/A LEU 8.A N GLU 4.A O no hydrogen 2.857 N/A LYS 9.A N ILE 5.A O no hydrogen 2.856 N/A LYS 10.A N ASN 6.A O no hydrogen 2.852 N/A ILE 11.A N VAL 7.A O no hydrogen 2.784 N/A LYS 12.A N LEU 8.A O no hydrogen 2.947 N/A GLU 13.A N LYS 9.A O no hydrogen 3.392 N/A LYS 14.A N ILE 11.A O no hydrogen 3.193 N/A VAL 18.A N VAL 101.A O no hydrogen 2.960 N/A GLY 28.A N PHE 79.A O no hydrogen 2.880 N/A GLY 28.A N VAL 80.A O no hydrogen 3.265 N/A LYS 29.A N SER 82.A OG no hydrogen 2.812 N/A ASN 30.A N GLU 33.A OE1.A no hydrogen 2.855 N/A THR 31.A N ILE 77.A O no hydrogen 2.955 N/A THR 31.A OG1 PRO 74.A O no hydrogen 2.766 N/A THR 31.A OG1 TYR 150.A OH no hydrogen 2.597 N/A PHE 32.A N ASN 30.A OD1 no hydrogen 2.765 N/A GLU 33.A N ASN 30.A OD1 no hydrogen 2.807 N/A PHE 34.A N ASN 30.A O no hydrogen 3.075 N/A LEU 35.A N THR 31.A O no hydrogen 3.332 N/A LYS 36.A N PHE 32.A O no hydrogen 2.881 N/A GLU 37.A N GLU 33.A O no hydrogen 2.672 N/A ASN 38.A N LEU 35.A O no hydrogen 3.044 N/A ASN 39.A N LYS 36.A O no hydrogen 3.139 N/A PHE 40.A N LEU 35.A O no hydrogen 2.759 N/A GLN 41.A N ASN 38.A O no hydrogen 3.134 N/A TYR 43.A N TYR 150.A O no hydrogen 2.780 N/A TYR 43.A OH THR 31.A O no hydrogen 2.523 N/A VAL 48.A N PRO 44.A O no hydrogen 3.121 N/A ARG 49.A N LEU 45.A O no hydrogen 2.815 N/A HIS 50.A N PRO 46.A O no hydrogen 3.053 N/A MET 51.A N HIS 47.A O no hydrogen 2.870 N/A ALA 52.A N VAL 48.A O no hydrogen 2.844 N/A TYR 53.A N ARG 49.A O no hydrogen 2.941 N/A GLN 54.A N HIS 50.A O no hydrogen 3.065 N/A GLN 54.A NE2 HIS 50.A O no hydrogen 3.026 N/A GLN 54.A NE2 THR 97.A O no hydrogen 3.128 N/A LEU 55.A N MET 51.A O no hydrogen 2.939 N/A CYS 56.A N ALA 52.A O no hydrogen 2.890 N/A CYS 56.A SG ALA 52.A O no hydrogen 3.325 N/A HIS 57.A N TYR 53.A O no hydrogen 2.921 N/A ALA 58.A N GLN 54.A O no hydrogen 2.807 N/A LEU 59.A N LEU 55.A O no hydrogen 3.013 N/A ARG 60.A N CYS 56.A O no hydrogen 2.964 N/A PHE 61.A N HIS 57.A O no hydrogen 3.237 N/A HIS 63.A N LEU 59.A O no hydrogen 2.786 N/A HIS 63.A NE2 ASP 139.A OD2 no hydrogen 2.900 N/A GLU 64.A N ARG 60.A O no hydrogen 2.923 N/A ASN 65.A N LEU 62.A O no hydrogen 2.977 N/A ASN 65.A ND2 PHE 61.A O no hydrogen 2.736 N/A LEU 67.A N LEU 62.A O no hydrogen 3.080 N/A THR 68.A N THR 108.A O no hydrogen 2.989 N/A HIS 69.A N ASP 139.A OD2 no hydrogen 2.839 N/A HIS 69.A NE2 ALA 102.A O no hydrogen 2.801 N/A THR 70.A N ASP 139.A OD1 no hydrogen 2.816 N/A THR 70.A OG1 HIS 69.A O no hydrogen 2.325 N/A THR 70.A OG1 SER 106.A O no hydrogen 3.270 N/A ASP 71.A N HIS 69.A ND1 no hydrogen 3.008 N/A LYS 73.A NZ THR 120.A OG1 no hydrogen 3.231 N/A GLU 75.A N GLU 75.A OE1.B no hydrogen 2.462 N/A ASN 76.A N LYS 73.A O no hydrogen 2.953 N/A ASN 76.A ND2 ASP 71.A O no hydrogen 2.595 N/A LEU 78.A N ARG 100.A O no hydrogen 2.764 N/A PHE 79.A N LYS 29.A O no hydrogen 3.218 N/A VAL 80.A N SER 98.A O no hydrogen 3.164 N/A GLU 85.A N SER 93.A O no hydrogen 2.775 N/A LEU 87.A N GLU 91.A O no hydrogen 2.988 N/A GLU 91.A N LEU 87.A O no hydrogen 3.124 N/A LYS 92.A N ASN 38.A OD1 no hydrogen 3.208 N/A LYS 92.A NZ GLU 37.A O no hydrogen 2.734 N/A SER 93.A OG GLU 85.A O no hydrogen 3.260 N/A LYS 95.A N GLU 83.A O no hydrogen 2.682 N/A SER 98.A N ASN 96.A OD1 no hydrogen 2.884 N/A SER 98.A OG ASN 96.A OD1 no hydrogen 2.491 N/A ILE 99.A N GLN 54.A OE1 no hydrogen 2.706 N/A ARG 100.A N LEU 78.A O no hydrogen 2.758 N/A VAL 101.A N LEU 16.A O no hydrogen 3.026 N/A ALA 102.A N ASN 76.A O no hydrogen 2.807 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.431 N/A ALA 107.A N PHE 104.A O no hydrogen 3.153 N/A THR 108.A N THR 68.A O no hydrogen 2.780 N/A THR 108.A OG1 SER 106.A O no hydrogen 2.970 N/A PHE 109.A N GLU 112.A OE2 no hydrogen 3.326 N/A ASP 110.A N GLN 66.A O no hydrogen 2.841 N/A GLU 112.A N PHE 109.A O no hydrogen 2.896 N/A HIS 114.A ND1 GLU 112.A O no hydrogen 2.807 N/A THR 115.A OG1 ILE 117.A O no hydrogen 3.181 N/A THR 120.A OG1 ASP 71.A OD1 no hydrogen 3.076 N/A ARG 121.A NH2 ASN 162.A OD1 no hydrogen 2.644 N/A TYR 123.A N THR 120.A O no hydrogen 2.940 N/A TYR 123.A OH GLU 149.A OE1 no hydrogen 2.501 N/A ARG 124.A N ARG 121.A O no hydrogen 3.054 N/A ARG 124.A NE VAL 118.A O no hydrogen 2.975 N/A ARG 124.A NE ALA 119.A O no hydrogen 3.288 N/A ARG 124.A NH2 ALA 119.A O no hydrogen 2.775 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.720 N/A VAL 128.A N PRO 125.A O no hydrogen 3.156 N/A ILE 129.A N PRO 125.A O no hydrogen 3.270 N/A LEU 130.A N PRO 126.A O no hydrogen 2.845 N/A GLU 131.A N VAL 128.A O no hydrogen 3.032 N/A LEU 132.A N GLU 127.A O no hydrogen 2.682 N/A TRP 134.A NE1 THR 115.A O no hydrogen 2.831 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.871 N/A GLN 136.A NE2 LEU 67.A O no hydrogen 3.531 N/A GLN 136.A NE2 ASP 110.A OD1 no hydrogen 2.764 N/A CYS 138.A N ALA 135.A O no hydrogen 2.872 N/A ASP 139.A N GLN 136.A O no hydrogen 3.015 N/A TRP 141.A N PRO 137.A O no hydrogen 3.127 N/A SER 142.A N CYS 138.A O no hydrogen 3.182 N/A SER 142.A OG TYR 123.A O no hydrogen 2.788 N/A SER 142.A OG CYS 138.A O no hydrogen 3.267 N/A ILE 143.A N ASP 139.A O no hydrogen 2.880 N/A GLY 144.A N VAL 140.A O no hydrogen 3.016 N/A CYS 145.A N TRP 141.A O no hydrogen 3.124 N/A CYS 145.A SG HIS 122.A O no hydrogen 3.850 N/A CYS 145.A SG TRP 141.A O no hydrogen 3.592 N/A ILE 146.A N SER 142.A O no hydrogen 2.903 N/A LEU 147.A N ILE 143.A O no hydrogen 2.893 N/A PHE 148.A N GLY 144.A O no hydrogen 3.101 N/A GLU 149.A N CYS 145.A O no hydrogen 3.052 N/A TYR 150.A N ILE 146.A O no hydrogen 2.929 N/A TYR 150.A OH THR 31.A OG1 no hydrogen 2.597 N/A TYR 151.A N LEU 147.A O no hydrogen 2.995 N/A TYR 151.A OH HIS 225.A ND1 no hydrogen 2.503 N/A ARG 152.A N PHE 148.A O no hydrogen 2.870 N/A ARG 152.A NH1 TYR 217.A O no hydrogen 2.940 N/A GLY 153.A N GLU 149.A O no hydrogen 2.732 N/A THR 155.A OG1 GLU 149.A OE2 no hydrogen 3.364 N/A THR 155.A OG1 GLN 158.A OE1 no hydrogen 3.438 N/A THR 159.A OG1 GLU 161.A O no hydrogen 3.273 N/A THR 159.A OG1 GLU 164.A OE1 no hydrogen 2.436 N/A HIS 160.A N GLU 164.A OE1 no hydrogen 3.313 N/A HIS 160.A NE2 ASP 203.A OD2 no hydrogen 2.691 N/A GLU 161.A N THR 159.A OG1 no hydrogen 3.395 N/A ASN 162.A ND2 TYR 189.A OH no hydrogen 2.866 N/A ARG 163.A NH2 LYS 188.A O no hydrogen 3.385 N/A GLU 164.A N GLU 161.A OE2 no hydrogen 3.232 N/A HIS 165.A N GLU 161.A O no hydrogen 2.932 N/A LEU 166.A N ASN 162.A O no hydrogen 2.883 N/A VAL 167.A N ARG 163.A O no hydrogen 2.947 N/A MET 168.A N GLU 164.A O no hydrogen 2.809 N/A MET 169.A N HIS 165.A O no hydrogen 2.883 N/A GLU 170.A N LEU 166.A O no hydrogen 3.078 N/A LYS 171.A N VAL 167.A O no hydrogen 2.879 N/A ILE 172.A N MET 168.A O no hydrogen 2.929 N/A LEU 173.A N MET 169.A O no hydrogen 2.838 N/A GLY 174.A N GLU 170.A O no hydrogen 2.959 N/A ILE 176.A N GLU 170.A OE2 no hydrogen 2.918 N/A HIS 179.A NE2 ASP 239.A OD2 no hydrogen 2.990 N/A ILE 181.A N PRO 177.A O no hydrogen 3.353 N/A HIS 182.A N SER 178.A O no hydrogen 2.848 N/A ARG 183.A N HIS 179.A O no hydrogen 2.987 N/A ARG 183.A N MET 180.A O no hydrogen 3.295 N/A THR 184.A N MET 180.A O no hydrogen 3.176 N/A THR 184.A OG1 LEU 130.A O no hydrogen 2.553 N/A ARG 185.A NE GLU 131.A OE1 no hydrogen 2.880 N/A ARG 185.A NH2 GLU 131.A OE1 no hydrogen 3.038 N/A LYS 186.A N THR 184.A OG1 no hydrogen 3.119 N/A GLN 187.A NE2 ILE 181.A O no hydrogen 2.845 N/A GLN 187.A NE2 THR 184.A O no hydrogen 2.719 N/A TYR 189.A N LYS 186.A O no hydrogen 3.469 N/A PHE 190.A N GLN 187.A O no hydrogen 2.903 N/A TYR 191.A N GLY 194.A O no hydrogen 2.725 N/A GLY 194.A N TYR 191.A O no hydrogen 2.817 N/A VAL 196.A N TYR 189.A O no hydrogen 2.844 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 2.953 N/A SER 201.A N ASP 198.A O no hydrogen 3.182 N/A SER 201.A OG ASP 198.A O no hydrogen 2.684 N/A GLY 204.A N SER 201.A OG no hydrogen 3.039 N/A ARG 205.A N SER 201.A O no hydrogen 2.751 N/A TYR 206.A N SER 202.A O no hydrogen 2.932 N/A VAL 207.A N ASP 203.A O no hydrogen 2.967 N/A LYS 208.A N GLY 204.A O no hydrogen 3.134 N/A GLU 209.A N ARG 205.A O no hydrogen 3.042 N/A ASN 210.A N TYR 206.A O no hydrogen 2.775 N/A CYS 211.A N VAL 207.A O no hydrogen 2.957 N/A LYS 212.A N TYR 217.A OH no hydrogen 3.024 N/A LYS 212.A NZ SER 216.A O no hydrogen 3.277 N/A LEU 214.A N ILE 172.A O no hydrogen 2.839 N/A SER 216.A N PRO 213.A O no hydrogen 2.913 N/A SER 216.A OG PRO 213.A O no hydrogen 2.570 N/A TYR 217.A N LEU 214.A O no hydrogen 3.008 N/A TYR 217.A OH ASN 210.A O no hydrogen 3.068 N/A MET 218.A N LYS 215.A O no hydrogen 3.007 N/A LEU 219.A N TYR 151.A OH no hydrogen 2.945 N/A HIS 225.A N SER 222.A O no hydrogen 3.106 N/A HIS 225.A ND1 TYR 151.A OH no hydrogen 2.503 N/A VAL 226.A N SER 222.A O no hydrogen 3.174 N/A GLN 227.A N LEU 223.A O no hydrogen 2.927 N/A LEU 228.A N GLU 224.A O no hydrogen 3.108 N/A PHE 229.A N HIS 225.A O no hydrogen 3.200 N/A ASP 230.A N VAL 226.A O no hydrogen 2.930 N/A LEU 231.A N GLN 227.A O no hydrogen 2.824 N/A MET 232.A N LEU 228.A O no hydrogen 2.782 N/A ARG 233.A N PHE 229.A O no hydrogen 2.939 N/A ARG 234.A N ASP 230.A O no hydrogen 3.266 N/A MET 235.A N LEU 231.A O no hydrogen 2.996 N/A LEU 236.A N MET 232.A O no hydrogen 2.867 N/A ASP 239.A N GLU 237.A OE2 no hydrogen 3.208 N/A ALA 241.A N ASP 239.A OD1 no hydrogen 3.062 N/A GLN 242.A N ASP 239.A O no hydrogen 2.933 N/A ARG 243.A N ASP 239.A O no hydrogen 2.829 N/A ARG 243.A NE GLU 237.A O no hydrogen 2.824 N/A ARG 243.A NH1 GLU 127.A OE1 no hydrogen 3.515 N/A ARG 243.A NH1 GLU 127.A OE2 no hydrogen 2.852 N/A ARG 243.A NH1 PRO 137.A O no hydrogen 3.030 N/A ARG 243.A NH2 GLU 127.A OE1 no hydrogen 2.881 N/A ARG 243.A NH2 GLU 237.A O no hydrogen 2.977 N/A ILE 244.A N ARG 234.A O no hydrogen 3.455 N/A THR 245.A N GLU 248.A OE1 no hydrogen 2.950 N/A GLU 248.A N THR 245.A OG1 no hydrogen 3.093 N/A ALA 249.A N THR 245.A O no hydrogen 2.845 N/A LEU 250.A N LEU 246.A O no hydrogen 3.279 N/A LEU 251.A N GLU 248.A O no hydrogen 2.959 N/A HIS 252.A NE2 ASP 230.A OD2 no hydrogen 2.436 N/A PHE 254.A N HIS 252.A ND1 no hydrogen 3.021 N/A PHE 255.A N HIS 252.A O no hydrogen 3.169 N/A ALA 256.A N PRO 253.A O no hydrogen 3.125 N/A LEU 258.A N PHE 255.A O no hydrogen 3.112 N/A THR 259.A N GLU 262.A OE1 no hydrogen 2.716 N/A GLU 262.A N THR 259.A OG1 no hydrogen 2.564 N/A