Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ds1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 2.985 N/A GLN 5.A N ARG 22.A O no hydrogen 3.178 N/A VAL 7.A N LYS 20.A O no hydrogen 2.770 N/A GLU 8.A N LYS 20.A O no hydrogen 3.309 N/A ILE 10.A N VAL 18.A O no hydrogen 3.032 N/A GLY 11.A N VAL 18.A O no hydrogen 3.305 N/A VAL 18.A N GLY 11.A O no hydrogen 3.043 N/A TYR 19.A N LEU 32.A O no hydrogen 2.736 N/A LYS 20.A N GLU 8.A O no hydrogen 2.799 N/A ALA 21.A N VAL 30.A O no hydrogen 2.869 N/A ARG 22.A N GLN 5.A O no hydrogen 2.967 N/A ARG 22.A NH1 GLY 27.A O no hydrogen 3.265 N/A ASN 23.A N GLU 28.A O no hydrogen 2.814 N/A LYS 24.A N ASN 3.A O no hydrogen 2.992 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.526 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.750 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.300 N/A GLY 27.A N ASN 23.A O no hydrogen 2.762 N/A VAL 29.A N GLU 28.A OE2 no hydrogen 3.017 N/A VAL 30.A N ALA 21.A O no hydrogen 2.770 N/A ALA 31.A N PHE 72.A O no hydrogen 2.802 N/A LEU 32.A N TYR 19.A O no hydrogen 2.627 N/A LYS 33.A N LEU 70.A O no hydrogen 2.864 N/A LYS 34.A N VAL 17.A O no hydrogen 3.009 N/A ILE 35.A N LEU 68.A O no hydrogen 2.969 N/A ILE 41.A N PRO 37.A O no hydrogen 3.387 N/A ARG 42.A N SER 38.A O no hydrogen 3.023 N/A GLU 43.A N THR 39.A O no hydrogen 3.087 N/A ILE 44.A N ALA 40.A O no hydrogen 2.910 N/A SER 45.A N ILE 41.A O no hydrogen 3.141 N/A SER 45.A OG ILE 41.A O no hydrogen 3.018 N/A LEU 46.A N ARG 42.A O no hydrogen 3.209 N/A LEU 47.A N ILE 44.A O no hydrogen 2.942 N/A LYS 48.A N SER 45.A O no hydrogen 3.142 N/A GLU 49.A N LEU 46.A O no hydrogen 3.274 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.593 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.025 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.872 N/A ILE 55.A N HIS 52.A O no hydrogen 3.018 N/A VAL 56.A N LEU 135.A O no hydrogen 2.833 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.789 N/A LEU 59.A N VAL 71.A O no hydrogen 2.764 N/A ASP 60.A N VAL 71.A O no hydrogen 3.199 N/A ILE 62.A N TYR 69.A O no hydrogen 2.920 N/A THR 64.A OG1 GLU 65.A OE1 no hydrogen 2.736 N/A TYR 69.A N ILE 62.A O no hydrogen 3.087 N/A LEU 70.A N LYS 33.A O no hydrogen 2.835 N/A VAL 71.A N ASP 60.A O no hydrogen 2.919 N/A PHE 72.A N ALA 31.A O no hydrogen 2.833 N/A GLU 73.A N LYS 57.A O no hydrogen 2.922 N/A LEU 79.A N LEU 125.A O no hydrogen 2.782 N/A LYS 80.A NZ ASP 84.A OD1 no hydrogen 3.403 N/A THR 81.A N ASP 78.A OD1 no hydrogen 3.030 N/A THR 81.A OG1 ASP 78.A OD2 no hydrogen 2.957 N/A PHE 82.A N ASP 78.A O no hydrogen 3.409 N/A MET 83.A N LEU 79.A O no hydrogen 2.754 N/A ASP 84.A N LYS 80.A O no hydrogen 2.943 N/A ALA 85.A N THR 81.A O no hydrogen 3.030 N/A SER 86.A N PHE 82.A O no hydrogen 2.984 N/A SER 86.A N MET 83.A O no hydrogen 3.110 N/A SER 86.A OG PHE 82.A O no hydrogen 2.922 N/A ALA 87.A N ASP 84.A O no hydrogen 3.190 N/A GLY 90.A N SER 86.A O no hydrogen 2.700 N/A LEU 95.A N PRO 92.A O no hydrogen 3.032 N/A ILE 96.A N PRO 92.A O no hydrogen 3.133 N/A LYS 97.A N LEU 93.A O no hydrogen 2.860 N/A LYS 97.A NZ PHE 277.A O no hydrogen 3.135 N/A LYS 97.A NZ ASP 280.A OD2 no hydrogen 2.931 N/A SER 98.A N PRO 94.A O no hydrogen 3.102 N/A SER 98.A OG THR 282.A O no hydrogen 3.318 N/A TYR 99.A N LEU 95.A O no hydrogen 2.868 N/A LEU 100.A N ILE 96.A O no hydrogen 2.992 N/A PHE 101.A N LYS 97.A O no hydrogen 2.967 N/A GLN 102.A N SER 98.A O no hydrogen 3.032 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.591 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.148 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.964 N/A LEU 103.A N TYR 99.A O no hydrogen 2.918 N/A LEU 104.A N LEU 100.A O no hydrogen 2.928 N/A GLN 105.A N PHE 101.A O no hydrogen 3.118 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.392 N/A GLY 106.A N GLN 102.A O no hydrogen 2.981 N/A LEU 107.A N LEU 103.A O no hydrogen 2.855 N/A ALA 108.A N LEU 104.A O no hydrogen 2.854 N/A PHE 109.A N GLN 105.A O no hydrogen 3.036 N/A CYS 110.A N GLY 106.A O no hydrogen 3.145 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.410 N/A HIS 111.A N LEU 107.A O no hydrogen 2.753 N/A HIS 111.A ND1 VAL 115.A O no hydrogen 3.354 N/A SER 112.A N ALA 108.A O no hydrogen 3.014 N/A SER 112.A N PHE 109.A O no hydrogen 3.160 N/A SER 112.A OG PHE 109.A O no hydrogen 2.573 N/A SER 112.A OG HIS 113.A ND1 no hydrogen 3.135 N/A HIS 113.A N CYS 110.A O no hydrogen 3.148 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.313 N/A ARG 114.A N HIS 111.A O no hydrogen 3.081 N/A VAL 115.A N CYS 110.A O no hydrogen 2.915 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 2.818 N/A ARG 118.A N ASP 177.A OD1 no hydrogen 2.861 N/A ARG 118.A NE TYR 172.A OH no hydrogen 3.234 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.196 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.913 N/A ASN 124.A N LYS 121.A O no hydrogen 3.004 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 3.011 N/A LEU 125.A N PRO 122.A O no hydrogen 3.208 N/A LEU 126.A N LYS 134.A O no hydrogen 2.927 N/A ILE 127.A N GLN 77.A O no hydrogen 2.891 N/A ASN 128.A N ALA 132.A O no hydrogen 3.131 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.825 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.135 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.350 N/A LYS 134.A N LEU 126.A O no hydrogen 2.730 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.015 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.280 N/A LEU 135.A N ASN 54.A O no hydrogen 2.845 N/A ALA 136.A N ASN 124.A O no hydrogen 2.901 N/A LEU 140.A N ASP 137.A O no hydrogen 3.285 N/A ARG 142.A NE GLU 43.A OE1 no hydrogen 2.976 N/A ARG 142.A NH2 GLU 43.A OE1 no hydrogen 3.063 N/A PHE 144.A N LEU 140.A O no hydrogen 2.756 N/A ARG 149.A NH1 HIS 153.A O no hydrogen 3.339 N/A THR 150.A N GLU 154.A O no hydrogen 2.836 N/A THR 150.A OG1 GLU 154.A O no hydrogen 3.218 N/A HIS 153.A N THR 150.A O no hydrogen 2.821 N/A VAL 156.A N VAL 148.A O no hydrogen 2.952 N/A TRP 159.A N THR 157.A OG1 no hydrogen 3.378 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.585 N/A ARG 161.A N LEU 158.A O no hydrogen 3.081 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.736 N/A ILE 165.A N ALA 162.A O no hydrogen 3.128 N/A LEU 166.A N ALA 162.A O no hydrogen 3.221 N/A LEU 167.A N PRO 163.A O no hydrogen 2.751 N/A GLY 168.A N ILE 165.A O no hydrogen 3.146 N/A CYS 169.A N GLU 164.A O no hydrogen 2.970 N/A ALA 175.A N SER 173.A OG no hydrogen 3.114 N/A VAL 176.A N SER 173.A O no hydrogen 3.173 N/A ASP 177.A N THR 174.A O no hydrogen 3.098 N/A TRP 179.A N ALA 175.A O no hydrogen 3.126 N/A SER 180.A N VAL 176.A O no hydrogen 3.221 N/A SER 180.A OG TYR 160.A O no hydrogen 2.668 N/A SER 180.A OG VAL 176.A O no hydrogen 3.205 N/A LEU 181.A N ASP 177.A O no hydrogen 2.984 N/A GLY 182.A N ILE 178.A O no hydrogen 2.895 N/A CYS 183.A N TRP 179.A O no hydrogen 3.023 N/A CYS 183.A SG TRP 159.A O no hydrogen 4.015 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.637 N/A ILE 184.A N SER 180.A O no hydrogen 3.019 N/A PHE 185.A N LEU 181.A O no hydrogen 2.840 N/A ALA 186.A N GLY 182.A O no hydrogen 2.990 N/A GLU 187.A N CYS 183.A O no hydrogen 3.110 N/A MET 188.A N ILE 184.A O no hydrogen 2.950 N/A VAL 189.A N PHE 185.A O no hydrogen 3.254 N/A THR 190.A N ALA 186.A O no hydrogen 2.945 N/A THR 190.A OG1 ALA 186.A O no hydrogen 3.113 N/A ARG 191.A N GLU 187.A O no hydrogen 2.794 N/A GLY 197.A N PHE 195.A O no hydrogen 2.947 N/A GLY 197.A N GLN 203.A OE1 no hydrogen 2.872 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 3.174 N/A ASP 202.A N SER 199.A OG no hydrogen 3.059 N/A GLN 203.A N SER 199.A O no hydrogen 2.819 N/A GLN 203.A NE2 TRP 159.A O no hydrogen 3.354 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 3.025 N/A LEU 204.A N GLU 200.A O no hydrogen 2.909 N/A PHE 205.A N ILE 201.A O no hydrogen 2.808 N/A ARG 206.A N ASP 202.A O no hydrogen 2.924 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 3.085 N/A ILE 207.A N GLN 203.A O no hydrogen 3.140 N/A PHE 208.A N LEU 204.A O no hydrogen 3.014 N/A ARG 209.A N PHE 205.A O no hydrogen 2.949 N/A THR 210.A N ARG 206.A O no hydrogen 3.366 N/A LEU 211.A N ILE 207.A O no hydrogen 2.891 N/A GLY 212.A N PHE 208.A O no hydrogen 2.665 N/A THR 213.A N TRP 235.A O no hydrogen 3.153 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.735 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.013 N/A TRP 219.A N ASP 215.A O no hydrogen 2.883 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.938 N/A VAL 222.A N TRP 219.A O no hydrogen 3.034 N/A THR 223.A N GLU 216.A OE2 no hydrogen 3.091 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.470 N/A SER 224.A N GLY 221.A O no hydrogen 2.975 N/A MET 225.A N VAL 222.A O no hydrogen 2.947 N/A ASP 227.A N LEU 167.A O no hydrogen 2.893 N/A TYR 228.A N MET 225.A O no hydrogen 3.167 N/A PHE 232.A N LYS 229.A O no hydrogen 2.920 N/A TRP 235.A N THR 213.A OG1 no hydrogen 2.947 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 3.045 N/A GLN 238.A N THR 210.A O no hydrogen 2.848 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.202 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 2.961 N/A LYS 242.A N ASP 239.A O no hydrogen 3.092 N/A VAL 243.A N PHE 240.A O no hydrogen 3.002 N/A VAL 244.A N PHE 240.A O no hydrogen 3.062 N/A LEU 247.A N VAL 244.A O no hydrogen 2.923 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 3.010 N/A ARG 252.A N ASP 248.A O no hydrogen 2.859 N/A ARG 252.A NH1 LEU 247.A O no hydrogen 2.808 N/A SER 253.A N GLU 249.A O no hydrogen 2.873 N/A SER 253.A OG HIS 275.A NE2 no hydrogen 3.374 N/A LEU 254.A N ASP 250.A O no hydrogen 2.848 N/A LEU 255.A N GLY 251.A O no hydrogen 2.881 N/A SER 256.A N ARG 252.A O no hydrogen 2.984 N/A GLN 257.A N SER 253.A O no hydrogen 3.269 N/A MET 258.A N LEU 254.A O no hydrogen 3.030 N/A LEU 259.A N LEU 255.A O no hydrogen 2.966 N/A LEU 259.A N SER 256.A O no hydrogen 3.303 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.546 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 2.962 N/A LYS 265.A N ASP 262.A O no hydrogen 2.799 N/A LYS 265.A NZ VAL 218.A O no hydrogen 3.088 N/A LYS 265.A NZ ASP 262.A OD2 no hydrogen 3.220 N/A ARG 266.A N ASP 262.A O no hydrogen 2.945 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.851 N/A ARG 266.A NH1 GLU 164.A OE1 no hydrogen 3.521 N/A ARG 266.A NH1 GLU 164.A OE2 no hydrogen 2.819 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 2.906 N/A ARG 266.A NH2 GLU 164.A OE1 no hydrogen 2.884 N/A ARG 266.A NH2 GLU 164.A OE2 no hydrogen 3.561 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.161 N/A ILE 267.A N GLN 257.A O no hydrogen 3.067 N/A ALA 271.A N SER 268.A OG no hydrogen 3.081 N/A ALA 272.A N SER 268.A O no hydrogen 2.914 N/A LEU 273.A N ALA 269.A O no hydrogen 3.101 N/A LEU 273.A N LYS 270.A O no hydrogen 3.175 N/A ALA 274.A N ALA 271.A O no hydrogen 3.246 N/A HIS 275.A N ALA 272.A O no hydrogen 3.056 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 3.117 N/A PHE 278.A N HIS 275.A O no hydrogen 3.055 N/A GLN 279.A N PRO 276.A O no hydrogen 2.982 N/A VAL 281.A N PHE 278.A O no hydrogen 2.908 N/A