Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t9i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N PRO 1.A O no hydrogen 3.412 N/A GLN 5.A NE2 PRO 1.A O no hydrogen 3.649 N/A TYR 6.A N LEU 2.A O no hydrogen 3.147 N/A GLN 7.A N ILE 24.A O no hydrogen 2.854 N/A GLY 9.A N SER 22.A O no hydrogen 2.648 N/A LEU 12.A N VAL 20.A O no hydrogen 2.922 N/A GLY 16.A N GLY 13.A O no hydrogen 3.010 N/A GLY 18.A N GLY 15.A O no hydrogen 3.231 N/A TYR 21.A N ILE 34.A O no hydrogen 2.914 N/A SER 22.A N PRO 10.A O no hydrogen 2.920 N/A GLY 23.A N VAL 32.A O no hydrogen 3.099 N/A ILE 24.A N GLN 7.A O no hydrogen 2.953 N/A ARG 25.A N LEU 30.A O no hydrogen 2.832 N/A ARG 25.A NE ASP 28.A OD2 no hydrogen 2.833 N/A ARG 25.A NH1 ASP 28.A OD1 no hydrogen 2.879 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 3.472 N/A VAL 26.A N GLN 5.A O no hydrogen 2.800 N/A SER 27.A OG ASP 28.A OD2 no hydrogen 3.491 N/A ASP 28.A N ARG 25.A O no hydrogen 3.184 N/A LEU 30.A N ARG 25.A O no hydrogen 3.345 N/A VAL 32.A N GLY 23.A O no hydrogen 3.012 N/A ALA 33.A N LEU 88.A O no hydrogen 2.654 N/A ILE 34.A N TYR 21.A O no hydrogen 2.883 N/A LYS 35.A N LEU 86.A O no hydrogen 2.849 N/A LYS 35.A NZ GLU 57.A OE1 no hydrogen 3.001 N/A LYS 35.A NZ GLU 57.A OE2 no hydrogen 2.757 N/A HIS 36.A N SER 19.A O no hydrogen 2.879 N/A VAL 37.A N PHE 84.A O no hydrogen 2.942 N/A LYS 39.A N ASP 82.A O no hydrogen 2.957 N/A LYS 39.A NZ GLU 79.A OE2 no hydrogen 3.047 N/A LYS 39.A NZ ARG 80.A O no hydrogen 3.154 N/A LYS 39.A NZ PRO 81.A O no hydrogen 3.071 N/A ARG 41.A N GLU 38.A O no hydrogen 2.925 N/A ILE 42.A N LYS 39.A O no hydrogen 3.055 N/A GLY 46.A N VAL 54.A O no hydrogen 2.557 N/A LEU 48.A N THR 52.A O no hydrogen 3.035 N/A GLY 51.A N LEU 48.A O no hydrogen 2.647 N/A VAL 54.A N GLY 46.A O no hydrogen 3.084 N/A MET 56.A N ASP 44.A O no hydrogen 3.206 N/A VAL 58.A N PRO 55.A O no hydrogen 2.905 N/A LEU 60.A N MET 56.A O no hydrogen 2.998 N/A LEU 61.A N GLU 57.A O no hydrogen 2.910 N/A LYS 62.A N VAL 58.A O no hydrogen 2.818 N/A LYS 63.A N VAL 59.A O no hydrogen 3.012 N/A VAL 64.A N LEU 60.A O no hydrogen 3.056 N/A SER 65.A N LEU 61.A O no hydrogen 3.056 N/A SER 65.A OG LEU 61.A O no hydrogen 2.609 N/A SER 66.A N VAL 64.A O no hydrogen 3.181 N/A SER 69.A OG GLU 149.A OE1 no hydrogen 3.220 N/A ILE 72.A N LEU 152.A O no hydrogen 3.030 N/A ARG 73.A N GLU 89.A OE2 no hydrogen 2.720 N/A LEU 74.A N SER 65.A OG no hydrogen 3.045 N/A LEU 75.A N ILE 87.A O no hydrogen 2.752 N/A ASP 76.A N ILE 87.A O no hydrogen 3.475 N/A PHE 78.A N VAL 85.A O no hydrogen 2.862 N/A ARG 80.A N SER 83.A O no hydrogen 2.881 N/A PHE 84.A N VAL 37.A O no hydrogen 2.667 N/A VAL 85.A N PHE 78.A O no hydrogen 2.921 N/A LEU 86.A N LYS 35.A O no hydrogen 2.719 N/A ILE 87.A N ASP 76.A O no hydrogen 2.815 N/A LEU 88.A N ALA 33.A O no hydrogen 2.661 N/A GLU 89.A N ARG 73.A O no hydrogen 3.097 N/A ARG 90.A N PRO 31.A O no hydrogen 3.251 N/A ARG 90.A NE VAL 32.A O no hydrogen 2.773 N/A ARG 90.A NH1 GLY 23.A O no hydrogen 3.088 N/A GLN 95.A N ILE 143.A O no hydrogen 3.132 N/A GLN 95.A NE2 GLU 103.A OE2 no hydrogen 3.390 N/A LEU 97.A N ILE 141.A O no hydrogen 2.816 N/A PHE 98.A N ASP 96.A OD2 no hydrogen 3.110 N/A PHE 100.A N ASP 96.A O no hydrogen 2.949 N/A ILE 101.A N LEU 97.A O no hydrogen 2.931 N/A THR 102.A N PHE 98.A O no hydrogen 2.928 N/A THR 102.A OG1 PHE 98.A O no hydrogen 2.882 N/A GLU 103.A N ASP 99.A O no hydrogen 3.053 N/A ARG 104.A N ILE 101.A O no hydrogen 3.165 N/A ARG 104.A NH1 HIS 270.A O no hydrogen 3.263 N/A ARG 104.A NH2 HIS 270.A O no hydrogen 2.783 N/A GLY 105.A N ILE 101.A O no hydrogen 2.618 N/A LEU 107.A N MET 203.A O no hydrogen 2.837 N/A LEU 111.A N GLN 108.A O no hydrogen 2.971 N/A ALA 112.A N GLN 108.A O no hydrogen 2.946 N/A ARG 113.A N GLU 109.A O no hydrogen 2.947 N/A ARG 113.A NH1 TRP 256.A O no hydrogen 2.997 N/A ARG 113.A NH2 ASP 259.A O no hydrogen 2.719 N/A SER 114.A N GLU 110.A O no hydrogen 3.231 N/A SER 114.A OG THR 266.A OG1 no hydrogen 2.719 N/A PHE 115.A N LEU 111.A O no hydrogen 2.967 N/A PHE 116.A N ALA 112.A O no hydrogen 2.786 N/A TRP 117.A N ARG 113.A O no hydrogen 2.901 N/A GLN 118.A N SER 114.A O no hydrogen 3.048 N/A GLN 118.A NE2 GLY 148.A O no hydrogen 2.897 N/A VAL 119.A N PHE 115.A O no hydrogen 2.993 N/A LEU 120.A N PHE 116.A O no hydrogen 2.953 N/A GLU 121.A N TRP 117.A O no hydrogen 2.987 N/A ALA 122.A N GLN 118.A O no hydrogen 2.988 N/A VAL 123.A N VAL 119.A O no hydrogen 2.874 N/A ARG 124.A N LEU 120.A O no hydrogen 2.759 N/A ARG 124.A NH1 GLN 252.A OE1 no hydrogen 2.907 N/A HIS 125.A N GLU 121.A O no hydrogen 2.917 N/A HIS 125.A NE2 VAL 64.A O no hydrogen 3.147 N/A CYS 126.A N ALA 122.A O no hydrogen 3.017 N/A CYS 126.A SG ALA 122.A O no hydrogen 3.415 N/A HIS 127.A N VAL 123.A O no hydrogen 2.968 N/A ASN 128.A N ARG 124.A O no hydrogen 2.851 N/A CYS 129.A N HIS 125.A O no hydrogen 3.046 N/A CYS 129.A N CYS 126.A O no hydrogen 2.981 N/A CYS 129.A SG HIS 125.A O no hydrogen 3.159 N/A GLY 130.A N HIS 127.A O no hydrogen 2.896 N/A VAL 131.A N CYS 126.A O no hydrogen 2.911 N/A LEU 132.A N ALA 159.A O no hydrogen 2.834 N/A HIS 133.A NE2 ILE 153.A O no hydrogen 2.931 N/A ARG 134.A NE SER 157.A O no hydrogen 2.952 N/A ARG 134.A NH1 ASP 168.A OD2 no hydrogen 3.425 N/A ARG 134.A NH1 TYR 186.A OH no hydrogen 2.871 N/A ARG 134.A NH2 SER 157.A O no hydrogen 3.194 N/A ARG 134.A NH2 GLY 158.A O no hydrogen 3.160 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 2.957 N/A LYS 137.A NZ GLU 139.A OE1 no hydrogen 3.302 N/A LYS 137.A NZ THR 172.A OG1 no hydrogen 2.803 N/A ASN 140.A N LYS 137.A O no hydrogen 2.881 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.763 N/A ILE 141.A N ASP 138.A O no hydrogen 3.336 N/A LEU 142.A N LYS 151.A O no hydrogen 2.814 N/A ILE 143.A N GLN 95.A O no hydrogen 2.753 N/A ASP 144.A N GLU 149.A O no hydrogen 2.779 N/A GLY 148.A N ASP 144.A O no hydrogen 2.750 N/A LEU 150.A N GLN 118.A OE1 no hydrogen 2.709 N/A LYS 151.A N LEU 142.A O no hydrogen 2.851 N/A LEU 152.A N GLY 70.A O no hydrogen 2.947 N/A ILE 153.A N ASN 140.A O no hydrogen 3.030 N/A GLY 156.A N ASP 154.A OD1 no hydrogen 3.238 N/A SER 157.A OG ASP 170.A O no hydrogen 3.327 N/A GLY 158.A N PHE 155.A O no hydrogen 2.982 N/A ALA 159.A N LEU 132.A O no hydrogen 2.970 N/A LEU 161.A N GLY 130.A O no hydrogen 2.661 N/A LYS 162.A N TYR 166.A OH no hydrogen 2.887 N/A LYS 162.A NZ VAL 165.A O no hydrogen 3.362 N/A TYR 166.A N TYR 186.A O no hydrogen 2.701 N/A TYR 166.A OH LEU 160.A O no hydrogen 2.750 N/A THR 172.A N ASP 135.A OD1 no hydrogen 3.315 N/A THR 172.A OG1 ASP 135.A OD1 no hydrogen 3.032 N/A ARG 173.A NE ASP 213.A OD1 no hydrogen 2.996 N/A ARG 173.A NE ASP 213.A OD2 no hydrogen 3.428 N/A ARG 173.A NH2 ASP 213.A OD2 no hydrogen 2.882 N/A TYR 175.A N THR 172.A O no hydrogen 2.893 N/A SER 176.A N ARG 173.A O no hydrogen 2.964 N/A SER 176.A OG ARG 173.A O no hydrogen 2.501 N/A TRP 180.A N PRO 177.A O no hydrogen 3.040 N/A ILE 181.A N PRO 177.A O no hydrogen 3.265 N/A ARG 182.A N PRO 178.A O no hydrogen 2.799 N/A TYR 183.A N GLU 179.A O no hydrogen 2.734 N/A HIS 184.A N TRP 180.A O no hydrogen 2.883 N/A TYR 186.A N TYR 166.A O no hydrogen 2.960 N/A TYR 186.A OH ASP 168.A O no hydrogen 2.606 N/A ARG 189.A NH1 ASP 163.A OD1 no hydrogen 2.944 N/A ARG 189.A NH2 ASP 163.A OD1 no hydrogen 2.939 N/A SER 190.A OG HIS 187.A O no hydrogen 3.565 N/A ALA 191.A N HIS 187.A O no hydrogen 3.119 N/A ALA 192.A N GLY 188.A O no hydrogen 3.051 N/A VAL 193.A N ARG 189.A O no hydrogen 2.920 N/A TRP 194.A N SER 190.A O no hydrogen 3.168 N/A SER 195.A N ALA 191.A O no hydrogen 3.096 N/A SER 195.A OG ALA 192.A O no hydrogen 2.903 N/A LEU 196.A N ALA 192.A O no hydrogen 2.958 N/A GLY 197.A N VAL 193.A O no hydrogen 2.918 N/A ILE 198.A N TRP 194.A O no hydrogen 3.066 N/A LEU 199.A N SER 195.A O no hydrogen 2.900 N/A LEU 200.A N LEU 196.A O no hydrogen 2.920 N/A TYR 201.A N GLY 197.A O no hydrogen 3.123 N/A TYR 201.A OH PHE 222.A O no hydrogen 2.630 N/A ASP 202.A N ILE 198.A O no hydrogen 2.959 N/A MET 203.A N LEU 199.A O no hydrogen 2.958 N/A VAL 204.A N LEU 200.A O no hydrogen 3.029 N/A CYS 205.A N TYR 201.A O no hydrogen 2.762 N/A GLY 206.A N ASP 202.A O no hydrogen 2.932 N/A ILE 208.A N ASP 207.A OD1 no hydrogen 2.707 N/A GLU 211.A N GLU 215.A OE1 no hydrogen 3.019 N/A HIS 212.A ND1 GLU 215.A OE2 no hydrogen 2.767 N/A ILE 216.A N HIS 212.A O no hydrogen 3.101 N/A ILE 217.A N ASP 213.A O no hydrogen 2.812 N/A ARG 218.A N GLU 214.A O no hydrogen 3.029 N/A GLY 219.A N GLU 215.A O no hydrogen 3.126 N/A SER 228.A N GLU 109.A OE2 no hydrogen 2.661 N/A SER 228.A OG GLU 109.A OE1 no hydrogen 2.892 N/A SER 228.A OG GLU 109.A OE2 no hydrogen 3.431 N/A CYS 230.A N SER 228.A OG no hydrogen 3.064 N/A GLN 231.A N SER 228.A O no hydrogen 2.957 N/A GLN 231.A NE2 VAL 227.A O no hydrogen 3.183 N/A HIS 232.A ND1 HIS 254.A NE2 no hydrogen 2.949 N/A LEU 233.A N GLU 229.A O no hydrogen 3.161 N/A ILE 234.A N CYS 230.A O no hydrogen 3.068 N/A ARG 235.A N GLN 231.A O no hydrogen 2.861 N/A ARG 235.A NH1 VAL 221.A O no hydrogen 2.940 N/A ARG 235.A NH2 VAL 221.A O no hydrogen 3.114 N/A TRP 236.A N HIS 232.A O no hydrogen 2.767 N/A TRP 236.A NE1 ASP 244.A O no hydrogen 2.911 N/A CYS 237.A N LEU 233.A O no hydrogen 2.969 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.479 N/A LEU 238.A N ILE 234.A O no hydrogen 3.055 N/A ALA 239.A N TRP 236.A O no hydrogen 3.200 N/A ASP 244.A N ARG 241.A O no hydrogen 2.873 N/A ARG 245.A N PRO 242.A O no hydrogen 2.999 N/A ARG 245.A NE ALA 239.A O no hydrogen 2.858 N/A ARG 245.A NH1 GLU 179.A OE1 no hydrogen 3.323 N/A ARG 245.A NH1 GLU 179.A OE2 no hydrogen 3.098 N/A ARG 245.A NH1 SER 190.A O no hydrogen 2.888 N/A ARG 245.A NH2 GLU 179.A OE2 no hydrogen 2.535 N/A ARG 245.A NH2 ALA 239.A O no hydrogen 3.015 N/A ARG 245.A NH2 LEU 240.A O no hydrogen 3.066 N/A THR 247.A N GLU 250.A OE1 no hydrogen 2.869 N/A THR 247.A OG1 GLU 250.A OE1 no hydrogen 3.419 N/A GLU 250.A N THR 247.A OG1 no hydrogen 3.116 N/A ILE 251.A N THR 247.A O no hydrogen 3.006 N/A GLN 252.A N PHE 248.A O no hydrogen 3.007 N/A GLN 252.A NE2 GLU 121.A OE2 no hydrogen 2.785 N/A ASN 253.A N GLU 249.A O no hydrogen 2.945 N/A HIS 254.A N ILE 251.A O no hydrogen 3.006 N/A HIS 254.A NE2 HIS 232.A ND1 no hydrogen 2.949 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 2.960 N/A TRP 256.A NE1 GLU 109.A OE1 no hydrogen 2.856 N/A MET 257.A N HIS 254.A O no hydrogen 2.847 N/A GLN 258.A N PRO 255.A O no hydrogen 3.323 N/A GLN 258.A NE2 GLN 252.A O no hydrogen 3.172 N/A GLN 258.A NE2 HIS 254.A O no hydrogen 3.142 N/A LEU 262.A N GLU 265.A OE1 no hydrogen 2.797 N/A GLN 264.A NE2 ASN 146.A O no hydrogen 3.066 N/A THR 266.A N LEU 262.A O no hydrogen 2.911 N/A THR 266.A OG1 SER 114.A OG no hydrogen 2.719 N/A THR 266.A OG1 LEU 262.A O no hydrogen 3.001 N/A ALA 267.A N PRO 263.A O no hydrogen 3.053 N/A GLU 268.A N GLN 264.A O no hydrogen 3.001 N/A ILE 269.A N GLU 265.A O no hydrogen 2.962 N/A HIS 270.A N THR 266.A O no hydrogen 2.839 N/A HIS 270.A NE2 GLU 110.A OE1 no hydrogen 2.744 N/A LEU 271.A N ALA 267.A O no hydrogen 2.918 N/A HIS 272.A N ALA 267.A O no hydrogen 3.034 N/A