Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9fr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ARG 21.A O no hydrogen 2.904 N/A VAL 6.A N LYS 19.A O no hydrogen 2.712 N/A GLU 7.A N LYS 19.A O no hydrogen 3.355 N/A ILE 9.A N VAL 17.A O no hydrogen 2.714 N/A GLY 10.A N VAL 17.A O no hydrogen 3.302 N/A GLY 12.A N GLY 15.A O no hydrogen 2.808 N/A TYR 14.A OH GLY 144.A O no hydrogen 2.771 N/A VAL 17.A N GLY 10.A O no hydrogen 2.932 N/A TYR 18.A N LEU 31.A O no hydrogen 2.864 N/A LYS 19.A N GLU 7.A O no hydrogen 2.785 N/A ALA 20.A N VAL 29.A O no hydrogen 2.922 N/A ARG 21.A N GLN 4.A O no hydrogen 2.801 N/A ARG 21.A NH1 GLY 26.A O no hydrogen 3.113 N/A ASN 22.A N GLU 27.A O no hydrogen 2.829 N/A LYS 23.A N ASN 2.A O no hydrogen 2.802 N/A LYS 23.A NZ GLU 1.A O no hydrogen 2.819 N/A LEU 24.A N ASN 22.A OD1 no hydrogen 2.658 N/A THR 25.A N ASN 22.A OD1 no hydrogen 2.914 N/A GLY 26.A N ASN 22.A O no hydrogen 2.736 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.253 N/A VAL 29.A N ALA 20.A O no hydrogen 2.881 N/A ALA 30.A N PHE 71.A O no hydrogen 2.923 N/A LEU 31.A N TYR 18.A O no hydrogen 2.762 N/A LYS 32.A N LEU 69.A O no hydrogen 2.837 N/A LYS 32.A NZ ASP 136.A OD1 no hydrogen 2.599 N/A LYS 32.A NZ ASP 136.A OD2 no hydrogen 3.282 N/A LYS 33.A N VAL 16.A O no hydrogen 3.129 N/A LYS 33.A NZ TYR 68.A OH no hydrogen 3.159 N/A ILE 34.A N LEU 67.A O no hydrogen 2.834 N/A ARG 35.A N TYR 14.A O no hydrogen 2.683 N/A ALA 39.A N PRO 36.A O no hydrogen 2.931 N/A ILE 40.A N PRO 36.A O no hydrogen 3.259 N/A ARG 41.A N SER 37.A O no hydrogen 2.996 N/A GLU 42.A N THR 38.A O no hydrogen 3.106 N/A ILE 43.A N ALA 39.A O no hydrogen 2.916 N/A SER 44.A N ILE 40.A O no hydrogen 3.013 N/A SER 44.A OG ILE 40.A O no hydrogen 2.756 N/A LEU 45.A N ARG 41.A O no hydrogen 3.279 N/A LEU 46.A N ILE 43.A O no hydrogen 2.925 N/A LYS 47.A N SER 44.A O no hydrogen 3.152 N/A GLU 48.A N LEU 45.A O no hydrogen 3.077 N/A LEU 49.A N LEU 46.A O no hydrogen 3.102 N/A ASN 50.A ND2 LYS 47.A O no hydrogen 3.483 N/A ASN 53.A ND2 GLN 101.A OE1 no hydrogen 3.085 N/A ASN 53.A ND2 ILE 132.A O no hydrogen 2.901 N/A ILE 54.A N HIS 51.A O no hydrogen 3.013 N/A VAL 55.A N LEU 134.A O no hydrogen 2.906 N/A LYS 56.A N GLU 72.A OE2 no hydrogen 2.926 N/A LEU 58.A N VAL 70.A O no hydrogen 2.607 N/A ASP 59.A N VAL 70.A O no hydrogen 3.209 N/A VAL 60.A N ASP 59.A OD1 no hydrogen 2.726 N/A ILE 61.A N TYR 68.A O no hydrogen 2.798 N/A THR 63.A N LYS 66.A O no hydrogen 2.733 N/A TYR 68.A N ILE 61.A O no hydrogen 2.691 N/A LEU 69.A N LYS 32.A O no hydrogen 2.775 N/A VAL 70.A N ASP 59.A O no hydrogen 2.845 N/A PHE 71.A N ALA 30.A O no hydrogen 2.869 N/A GLU 72.A N LYS 56.A O no hydrogen 2.967 N/A LEU 78.A N LEU 124.A O no hydrogen 2.865 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 2.649 N/A PHE 81.A N ASP 77.A O no hydrogen 3.171 N/A MET 82.A N LEU 78.A O no hydrogen 2.756 N/A ASP 83.A N LYS 79.A O no hydrogen 2.969 N/A ALA 84.A N LYS 80.A O no hydrogen 2.899 N/A SER 85.A N PHE 81.A O no hydrogen 2.932 N/A SER 85.A N MET 82.A O no hydrogen 3.028 N/A SER 85.A OG PHE 81.A O no hydrogen 2.854 N/A ALA 86.A N ASP 83.A O no hydrogen 3.273 N/A THR 88.A N SER 85.A O no hydrogen 3.262 N/A GLY 89.A N SER 85.A O no hydrogen 2.499 N/A LEU 94.A N PRO 91.A O no hydrogen 2.906 N/A ILE 95.A N PRO 91.A O no hydrogen 3.065 N/A LYS 96.A N LEU 92.A O no hydrogen 2.930 N/A LYS 96.A NZ PHE 267.A O no hydrogen 2.980 N/A LYS 96.A NZ ASP 270.A OD1 no hydrogen 2.666 N/A SER 97.A N PRO 93.A O no hydrogen 2.985 N/A TYR 98.A N LEU 94.A O no hydrogen 2.866 N/A LEU 99.A N ILE 95.A O no hydrogen 2.881 N/A PHE 100.A N LYS 96.A O no hydrogen 2.952 N/A GLN 101.A N SER 97.A O no hydrogen 3.000 N/A GLN 101.A NE2 SER 97.A O no hydrogen 3.521 N/A GLN 101.A NE2 SER 97.A OG no hydrogen 3.057 N/A GLN 101.A NE2 GLY 130.A O no hydrogen 2.957 N/A LEU 102.A N TYR 98.A O no hydrogen 2.891 N/A LEU 103.A N LEU 99.A O no hydrogen 2.897 N/A GLN 104.A N PHE 100.A O no hydrogen 2.928 N/A GLY 105.A N GLN 101.A O no hydrogen 3.043 N/A LEU 106.A N LEU 102.A O no hydrogen 2.863 N/A ALA 107.A N LEU 103.A O no hydrogen 2.853 N/A PHE 108.A N GLN 104.A O no hydrogen 3.025 N/A CYS 109.A N GLY 105.A O no hydrogen 3.057 N/A CYS 109.A SG GLY 105.A O no hydrogen 3.589 N/A HIS 110.A N LEU 106.A O no hydrogen 2.810 N/A HIS 110.A NE2 ASP 167.A OD2 no hydrogen 2.905 N/A SER 111.A N ALA 107.A O no hydrogen 3.001 N/A SER 111.A OG ALA 107.A O no hydrogen 3.526 N/A SER 111.A OG PHE 108.A O no hydrogen 2.668 N/A HIS 112.A N PHE 108.A O no hydrogen 3.356 N/A HIS 112.A N CYS 109.A O no hydrogen 2.918 N/A ARG 113.A N HIS 110.A O no hydrogen 2.980 N/A VAL 114.A N CYS 109.A O no hydrogen 2.955 N/A HIS 116.A N ASP 167.A OD2 no hydrogen 2.839 N/A ARG 117.A N ASP 167.A OD1 no hydrogen 2.808 N/A LYS 120.A N ASN 123.A OD1 no hydrogen 3.003 N/A LYS 120.A NZ ASP 118.A OD2 no hydrogen 2.932 N/A ASN 123.A N LYS 120.A O no hydrogen 2.967 N/A ASN 123.A ND2 ASP 118.A O no hydrogen 2.835 N/A LEU 124.A N PRO 121.A O no hydrogen 3.242 N/A LEU 125.A N LYS 133.A O no hydrogen 2.866 N/A ILE 126.A N GLN 76.A O no hydrogen 2.889 N/A ASN 127.A N ALA 131.A O no hydrogen 3.237 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 2.948 N/A ALA 131.A N ASN 127.A OD1 no hydrogen 3.070 N/A ILE 132.A N GLN 101.A OE1 no hydrogen 3.102 N/A LYS 133.A N LEU 125.A O no hydrogen 2.825 N/A LYS 133.A NZ GLU 72.A OE1 no hydrogen 2.814 N/A LYS 133.A NZ GLU 72.A OE2 no hydrogen 3.566 N/A LEU 134.A N ASN 53.A O no hydrogen 2.866 N/A ALA 135.A N ASN 123.A O no hydrogen 2.902 N/A GLY 138.A N LEU 115.A O no hydrogen 3.125 N/A LEU 139.A N ASP 136.A O no hydrogen 3.322 N/A ALA 142.A N GLY 138.A O no hydrogen 3.080 N/A PHE 143.A N LEU 139.A O no hydrogen 2.933 N/A TRP 149.A N THR 147.A OG1 no hydrogen 3.427 N/A TYR 150.A OH GLU 177.A OE2 no hydrogen 2.682 N/A ARG 151.A N LEU 148.A O no hydrogen 3.086 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.798 N/A ILE 155.A N ALA 152.A O no hydrogen 3.058 N/A LEU 156.A N ALA 152.A O no hydrogen 3.303 N/A LEU 157.A N PRO 153.A O no hydrogen 2.844 N/A GLY 158.A N ILE 155.A O no hydrogen 3.030 N/A CYS 159.A N GLU 154.A O no hydrogen 2.926 N/A CYS 159.A SG TYR 161.A O no hydrogen 3.175 N/A ALA 165.A N SER 163.A OG no hydrogen 3.053 N/A VAL 166.A N SER 163.A O no hydrogen 3.032 N/A ASP 167.A N THR 164.A O no hydrogen 3.105 N/A TRP 169.A N ALA 165.A O no hydrogen 3.103 N/A SER 170.A N VAL 166.A O no hydrogen 3.246 N/A SER 170.A OG TYR 150.A O no hydrogen 2.677 N/A SER 170.A OG VAL 166.A O no hydrogen 3.159 N/A LEU 171.A N ASP 167.A O no hydrogen 2.940 N/A GLY 172.A N ILE 168.A O no hydrogen 2.861 N/A CYS 173.A N TRP 169.A O no hydrogen 3.014 N/A CYS 173.A SG TRP 169.A O no hydrogen 3.542 N/A ILE 174.A N SER 170.A O no hydrogen 3.017 N/A PHE 175.A N LEU 171.A O no hydrogen 2.845 N/A ALA 176.A N GLY 172.A O no hydrogen 3.024 N/A GLU 177.A N CYS 173.A O no hydrogen 3.140 N/A MET 178.A N ILE 174.A O no hydrogen 2.928 N/A VAL 179.A N PHE 175.A O no hydrogen 3.116 N/A THR 180.A N ALA 176.A O no hydrogen 2.881 N/A THR 180.A OG1 ALA 176.A O no hydrogen 2.925 N/A THR 180.A OG1 ARG 182.A O no hydrogen 2.986 N/A ARG 181.A N GLU 177.A O no hydrogen 2.861 N/A ARG 181.A NH2 ALA 86.A O no hydrogen 3.121 N/A ARG 182.A N THR 180.A OG1 no hydrogen 3.276 N/A GLY 187.A N PHE 185.A O no hydrogen 2.976 N/A GLY 187.A N GLN 193.A OE1 no hydrogen 2.859 N/A ASP 188.A N ASP 192.A OD2 no hydrogen 3.177 N/A ASP 192.A N SER 189.A OG no hydrogen 3.050 N/A GLN 193.A N SER 189.A O no hydrogen 2.842 N/A GLN 193.A NE2 TRP 149.A O no hydrogen 3.204 N/A GLN 193.A NE2 PHE 185.A O no hydrogen 2.942 N/A LEU 194.A N GLU 190.A O no hydrogen 3.004 N/A PHE 195.A N ILE 191.A O no hydrogen 2.832 N/A ARG 196.A N ASP 192.A O no hydrogen 2.888 N/A ARG 196.A NE ASP 192.A OD2 no hydrogen 2.948 N/A ILE 197.A N GLN 193.A O no hydrogen 3.087 N/A PHE 198.A N LEU 194.A O no hydrogen 2.910 N/A ARG 199.A N PHE 195.A O no hydrogen 2.844 N/A THR 200.A N ARG 196.A O no hydrogen 3.307 N/A THR 200.A N ILE 197.A O no hydrogen 3.106 N/A THR 200.A OG1 ARG 196.A O no hydrogen 3.434 N/A LEU 201.A N ILE 197.A O no hydrogen 2.861 N/A GLY 202.A N PHE 198.A O no hydrogen 2.771 N/A THR 203.A N TRP 225.A O no hydrogen 3.009 N/A THR 203.A OG1 PRO 223.A O no hydrogen 2.720 N/A VAL 207.A N ASP 205.A OD1 no hydrogen 3.067 N/A VAL 208.A N ASP 205.A OD1 no hydrogen 3.148 N/A TRP 209.A N ASP 205.A O no hydrogen 2.878 N/A GLY 211.A N GLU 206.A OE1 no hydrogen 2.805 N/A VAL 212.A N TRP 209.A O no hydrogen 2.932 N/A THR 213.A N GLU 206.A OE2 no hydrogen 2.965 N/A THR 213.A OG1 GLU 206.A OE2 no hydrogen 2.605 N/A SER 214.A N GLY 211.A O no hydrogen 3.010 N/A SER 214.A OG GLY 211.A O no hydrogen 2.996 N/A MET 215.A N VAL 212.A O no hydrogen 3.108 N/A ASP 217.A N LEU 157.A O no hydrogen 2.945 N/A TYR 218.A N MET 215.A O no hydrogen 3.093 N/A PHE 222.A N LYS 219.A O no hydrogen 2.976 N/A TRP 225.A N THR 203.A OG1 no hydrogen 2.963 N/A ARG 227.A NH1 LEU 201.A O no hydrogen 3.053 N/A GLN 228.A N THR 200.A O no hydrogen 2.944 N/A GLN 228.A NE2 ALA 226.A O no hydrogen 3.474 N/A SER 231.A OG ASP 229.A OD2 no hydrogen 3.024 N/A LYS 232.A N ASP 229.A O no hydrogen 2.861 N/A LYS 232.A NZ GLN 228.A OE1 no hydrogen 2.950 N/A VAL 233.A N PHE 230.A O no hydrogen 2.941 N/A VAL 234.A N PHE 230.A O no hydrogen 3.116 N/A LEU 237.A N VAL 234.A O no hydrogen 2.949 N/A GLY 241.A N ASP 238.A OD1 no hydrogen 2.922 N/A ARG 242.A N ASP 238.A O no hydrogen 2.923 N/A ARG 242.A NH1 LEU 237.A O no hydrogen 2.537 N/A SER 243.A N GLU 239.A O no hydrogen 2.962 N/A SER 243.A OG HIS 265.A NE2 no hydrogen 3.243 N/A LEU 244.A N ASP 240.A O no hydrogen 3.062 N/A LEU 245.A N GLY 241.A O no hydrogen 2.885 N/A SER 246.A N ARG 242.A O no hydrogen 2.889 N/A SER 246.A OG ARG 242.A O no hydrogen 3.521 N/A SER 246.A OG SER 243.A O no hydrogen 2.648 N/A GLN 247.A N SER 243.A O no hydrogen 3.127 N/A MET 248.A N LEU 244.A O no hydrogen 3.053 N/A LEU 249.A N SER 246.A O no hydrogen 3.303 N/A TYR 251.A OH GLY 202.A O no hydrogen 2.571 N/A ASN 254.A N ASP 252.A OD1 no hydrogen 2.951 N/A LYS 255.A N ASP 252.A O no hydrogen 2.886 N/A ARG 256.A N ASP 252.A O no hydrogen 3.103 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.800 N/A ARG 256.A NH1 GLU 154.A OE1 no hydrogen 3.411 N/A ARG 256.A NH1 GLU 154.A OE2 no hydrogen 2.884 N/A ARG 256.A NH1 ALA 165.A O no hydrogen 2.951 N/A ARG 256.A NH2 GLU 154.A OE1 no hydrogen 2.830 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 3.182 N/A ARG 256.A NH2 TYR 251.A O no hydrogen 2.980 N/A ILE 257.A N GLN 247.A O no hydrogen 3.016 N/A ALA 261.A N SER 258.A OG no hydrogen 3.032 N/A ALA 262.A N SER 258.A O no hydrogen 2.841 N/A LEU 263.A N ALA 259.A O no hydrogen 3.089 N/A ALA 264.A N ALA 261.A O no hydrogen 2.996 N/A HIS 265.A N ALA 262.A O no hydrogen 2.915 N/A HIS 265.A NE2 SER 243.A OG no hydrogen 3.243 N/A PHE 267.A N HIS 265.A ND1 no hydrogen 2.956 N/A PHE 268.A N HIS 265.A O no hydrogen 3.003 N/A GLN 269.A N PRO 266.A O no hydrogen 3.033 N/A VAL 271.A N PHE 268.A O no hydrogen 3.213 N/A