Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6gra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 3.021 N/A ASP 7.A N ALA 4.A O no hydrogen 2.798 N/A PHE 8.A N LEU 5.A O no hydrogen 2.833 N/A GLU 9.A N ARG 26.A O no hydrogen 2.861 N/A GLY 11.A N LEU 24.A O no hydrogen 2.644 N/A ARG 12.A NH1 PRO 13.A O no hydrogen 3.113 N/A LEU 14.A N VAL 22.A O no hydrogen 2.881 N/A GLY 15.A N VAL 22.A O no hydrogen 3.374 N/A GLY 17.A N GLY 20.A O no hydrogen 2.699 N/A LYS 18.A NZ ASP 149.A OD1 no hydrogen 2.614 N/A VAL 22.A N GLY 15.A O no hydrogen 2.878 N/A TYR 23.A N LEU 36.A O no hydrogen 2.860 N/A LEU 24.A N ARG 12.A O no hydrogen 2.962 N/A ALA 25.A N LEU 34.A O no hydrogen 2.857 N/A ARG 26.A N GLU 9.A O no hydrogen 2.879 N/A ARG 26.A NE GLU 9.A OE1 no hydrogen 3.385 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 2.640 N/A GLU 27.A N PHE 32.A O no hydrogen 2.852 N/A LYS 28.A N ASP 7.A O no hydrogen 2.941 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.850 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.175 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.705 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.597 N/A LYS 31.A N GLU 27.A O no hydrogen 2.757 N/A PHE 32.A N SER 30.A OG no hydrogen 3.174 N/A LEU 34.A N ALA 25.A O no hydrogen 2.881 N/A ALA 35.A N LEU 85.A O no hydrogen 2.969 N/A LEU 36.A N TYR 23.A O no hydrogen 2.733 N/A LYS 37.A N LEU 83.A O no hydrogen 2.769 N/A LYS 37.A NZ LYS 18.A O no hydrogen 3.190 N/A VAL 38.A N ASN 21.A O no hydrogen 2.867 N/A LEU 39.A N VAL 81.A O no hydrogen 2.589 N/A LYS 41.A N THR 79.A O no hydrogen 3.152 N/A LYS 41.A NZ ALA 78.A O no hydrogen 3.495 N/A GLN 43.A N PHE 40.A O no hydrogen 3.241 N/A LEU 44.A N PHE 40.A O no hydrogen 3.440 N/A GLU 45.A N LYS 41.A O no hydrogen 2.981 N/A LYS 46.A N ALA 42.A O no hydrogen 3.104 N/A GLY 48.A N LEU 44.A O no hydrogen 2.807 N/A VAL 49.A N LEU 44.A O no hydrogen 3.081 N/A LEU 53.A N VAL 49.A O no hydrogen 3.176 N/A ARG 54.A N GLU 50.A O no hydrogen 2.882 N/A ARG 55.A N HIS 51.A O no hydrogen 2.846 N/A GLU 56.A N GLN 52.A O no hydrogen 2.896 N/A VAL 57.A N LEU 53.A O no hydrogen 3.039 N/A GLU 58.A N ARG 54.A O no hydrogen 3.133 N/A ILE 59.A N ARG 55.A O no hydrogen 2.782 N/A GLN 60.A N GLU 56.A O no hydrogen 2.811 N/A GLN 60.A NE2 GLU 56.A OE1 no hydrogen 2.801 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 3.470 N/A SER 61.A N VAL 57.A O no hydrogen 3.008 N/A SER 61.A OG VAL 57.A O no hydrogen 3.569 N/A HIS 62.A N ILE 59.A O no hydrogen 3.252 N/A HIS 62.A ND1 GLU 58.A O no hydrogen 2.856 N/A LEU 63.A N ILE 59.A O no hydrogen 2.794 N/A ARG 64.A N TYR 121.A OH no hydrogen 3.096 N/A ARG 64.A NH2 LEU 71.A O no hydrogen 3.300 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 3.095 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 2.752 N/A ILE 68.A N HIS 65.A O no hydrogen 3.030 N/A LEU 69.A N ILE 147.A O no hydrogen 2.731 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 2.949 N/A LEU 71.A N GLN 60.A OE1 no hydrogen 3.202 N/A TYR 72.A N ILE 84.A O no hydrogen 2.930 N/A PHE 75.A N TYR 82.A O no hydrogen 2.999 N/A ASP 77.A N ARG 80.A O no hydrogen 3.186 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 2.824 N/A ARG 80.A NH1 ASP 77.A OD1 no hydrogen 3.538 N/A VAL 81.A N LEU 39.A O no hydrogen 2.531 N/A TYR 82.A N PHE 75.A O no hydrogen 2.767 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 3.366 N/A LEU 83.A N LYS 37.A O no hydrogen 2.745 N/A ILE 84.A N GLY 73.A O no hydrogen 3.047 N/A LEU 85.A N ALA 35.A O no hydrogen 2.690 N/A GLU 86.A N ARG 70.A O no hydrogen 2.955 N/A LEU 90.A N LEU 139.A O no hydrogen 3.186 N/A GLY 91.A N ALA 88.A O no hydrogen 3.210 N/A VAL 93.A N LEU 137.A O no hydrogen 2.816 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.938 N/A GLU 96.A N THR 92.A O no hydrogen 3.335 N/A LEU 97.A N VAL 93.A O no hydrogen 2.935 N/A GLN 98.A N TYR 94.A O no hydrogen 3.058 N/A LYS 99.A N ARG 95.A O no hydrogen 3.142 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 2.808 N/A LEU 100.A N GLU 96.A O no hydrogen 2.967 N/A SER 101.A OG LEU 100.A O no hydrogen 3.106 N/A PHE 103.A N PHE 183.A O no hydrogen 2.770 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.860 N/A ARG 107.A NE TYR 111.A OH no hydrogen 3.137 N/A ARG 107.A NH2 GLU 96.A OE1 no hydrogen 2.401 N/A ARG 107.A NH2 TYR 111.A OH no hydrogen 3.265 N/A THR 108.A N ASP 104.A O no hydrogen 3.034 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.780 N/A ALA 109.A N GLU 105.A O no hydrogen 2.895 N/A THR 110.A N GLN 106.A O no hydrogen 2.984 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.746 N/A THR 110.A OG1 SER 249.A OG no hydrogen 3.080 N/A TYR 111.A N ARG 107.A O no hydrogen 3.043 N/A ILE 112.A N THR 108.A O no hydrogen 2.753 N/A THR 113.A N ALA 109.A O no hydrogen 2.877 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.972 N/A THR 113.A OG1 SER 248.A OG no hydrogen 3.046 N/A GLU 114.A N THR 110.A O no hydrogen 2.944 N/A LEU 115.A N TYR 111.A O no hydrogen 3.031 N/A ALA 116.A N ILE 112.A O no hydrogen 2.984 N/A ASN 117.A N THR 113.A O no hydrogen 3.050 N/A ALA 118.A N GLU 114.A O no hydrogen 2.981 N/A LEU 119.A N LEU 115.A O no hydrogen 2.888 N/A SER 120.A N ALA 116.A O no hydrogen 2.866 N/A TYR 121.A N ASN 117.A O no hydrogen 3.083 N/A CYS 122.A N ALA 118.A O no hydrogen 2.931 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.190 N/A HIS 123.A N LEU 119.A O no hydrogen 2.634 N/A HIS 123.A NE2 ASP 172.A OD2 no hydrogen 2.757 N/A SER 124.A N SER 120.A O no hydrogen 3.459 N/A SER 124.A OG SER 120.A O no hydrogen 3.394 N/A SER 124.A OG TYR 121.A O no hydrogen 2.479 N/A LYS 125.A N TYR 121.A O no hydrogen 3.372 N/A LYS 125.A N CYS 122.A O no hydrogen 3.082 N/A ARG 126.A N HIS 123.A O no hydrogen 2.930 N/A VAL 127.A N CYS 122.A O no hydrogen 3.006 N/A HIS 129.A N ASP 172.A OD2 no hydrogen 3.067 N/A ARG 130.A N ASP 172.A OD1 no hydrogen 2.780 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.960 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 3.033 N/A ASN 136.A N LYS 133.A O no hydrogen 2.916 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.838 N/A LEU 137.A N PRO 134.A O no hydrogen 3.312 N/A LEU 138.A N LYS 146.A O no hydrogen 2.795 N/A GLY 140.A N GLU 144.A O no hydrogen 2.837 N/A ALA 142.A N GLU 144.A OE1 no hydrogen 2.884 N/A GLY 143.A N GLY 140.A O no hydrogen 3.090 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.718 N/A LEU 145.A N GLU 114.A OE2 no hydrogen 3.066 N/A LYS 146.A N LEU 138.A O no hydrogen 2.713 N/A LYS 146.A NZ PRO 66.A O no hydrogen 3.206 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 2.541 N/A ILE 147.A N ASN 67.A O no hydrogen 3.059 N/A ALA 148.A N ASN 136.A O no hydrogen 3.305 N/A PHE 150.A N GLU 56.A OE2 no hydrogen 2.999 N/A TRP 152.A N HIS 129.A O no hydrogen 2.708 N/A TYR 156.A OH GLU 182.A OE1 no hydrogen 2.218 N/A TYR 156.A OH GLU 182.A OE2 no hydrogen 3.230 N/A LEU 157.A N LEU 154.A O no hydrogen 2.865 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.817 N/A MET 161.A N PRO 158.A O no hydrogen 3.156 N/A ILE 162.A N PRO 158.A O no hydrogen 3.106 N/A GLU 163.A N PRO 159.A O no hydrogen 3.132 N/A GLY 164.A N GLU 160.A O no hydrogen 3.229 N/A LYS 170.A N ASP 168.A OD1 no hydrogen 3.232 N/A LYS 170.A NZ ARG 232.A O no hydrogen 2.635 N/A LYS 170.A NZ PRO 233.A O no hydrogen 2.757 N/A VAL 171.A N ASP 168.A O no hydrogen 3.218 N/A ASP 172.A N GLU 169.A O no hydrogen 3.097 N/A LEU 173.A N LYS 170.A O no hydrogen 3.024 N/A TRP 174.A N LYS 170.A O no hydrogen 3.121 N/A SER 175.A N VAL 171.A O no hydrogen 3.069 N/A SER 175.A OG TYR 156.A O no hydrogen 2.893 N/A LEU 176.A N ASP 172.A O no hydrogen 3.143 N/A LEU 176.A N LEU 173.A O no hydrogen 3.243 N/A GLY 177.A N LEU 173.A O no hydrogen 3.181 N/A VAL 178.A N TRP 174.A O no hydrogen 3.003 N/A LEU 179.A N SER 175.A O no hydrogen 2.812 N/A CYS 180.A N LEU 176.A O no hydrogen 2.748 N/A TYR 181.A N GLY 177.A O no hydrogen 3.026 N/A TYR 181.A OH THR 208.A O no hydrogen 2.637 N/A GLU 182.A N VAL 178.A O no hydrogen 2.936 N/A PHE 183.A N LEU 179.A O no hydrogen 2.949 N/A LEU 184.A N CYS 180.A O no hydrogen 3.276 N/A LEU 184.A N TYR 181.A O no hydrogen 3.046 N/A VAL 185.A N TYR 181.A O no hydrogen 2.841 N/A GLY 186.A N GLU 182.A O no hydrogen 2.701 N/A GLU 191.A N PRO 188.A O no hydrogen 3.336 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.892 N/A GLU 197.A N THR 194.A OG1 no hydrogen 2.961 N/A THR 198.A N THR 194.A O no hydrogen 3.233 N/A THR 198.A OG1 THR 194.A O no hydrogen 2.901 N/A TYR 199.A N TYR 195.A O no hydrogen 2.956 N/A LYS 200.A N GLN 196.A O no hydrogen 3.201 N/A ARG 201.A N GLU 197.A O no hydrogen 2.853 N/A ARG 201.A NH1 PRO 189.A O no hydrogen 2.854 N/A ILE 202.A N THR 198.A O no hydrogen 2.977 N/A SER 203.A N TYR 199.A O no hydrogen 2.846 N/A SER 203.A OG TYR 199.A O no hydrogen 3.115 N/A ARG 204.A N LYS 200.A O no hydrogen 3.204 N/A VAL 205.A N ILE 202.A O no hydrogen 2.989 N/A GLU 206.A N ARG 201.A O no hydrogen 2.918 N/A VAL 213.A N PRO 210.A O no hydrogen 3.226 N/A THR 214.A OG1 GLU 105.A OE1 no hydrogen 2.454 N/A ARG 218.A N THR 214.A O no hydrogen 2.971 N/A ARG 218.A NE VAL 213.A O no hydrogen 2.879 N/A ARG 218.A NH2 PRO 210.A O no hydrogen 2.890 N/A ASP 219.A N GLU 215.A O no hydrogen 3.024 N/A LEU 220.A N GLY 216.A O no hydrogen 3.224 N/A ILE 221.A N ALA 217.A O no hydrogen 3.075 N/A SER 222.A N ARG 218.A O no hydrogen 2.676 N/A SER 222.A OG ARG 218.A O no hydrogen 2.683 N/A ARG 223.A N ASP 219.A O no hydrogen 3.174 N/A ARG 223.A NE ASP 219.A OD1 no hydrogen 2.999 N/A LEU 224.A N LEU 220.A O no hydrogen 3.152 N/A LEU 224.A N ILE 221.A O no hydrogen 3.069 N/A LEU 225.A N ILE 221.A O no hydrogen 3.022 N/A SER 230.A N ASN 228.A OD1 no hydrogen 3.148 N/A SER 230.A OG ASN 228.A OD1 no hydrogen 3.012 N/A GLN 231.A N ASN 228.A O no hydrogen 3.095 N/A ARG 232.A N PRO 229.A O no hydrogen 3.185 N/A ARG 232.A NE LYS 226.A O no hydrogen 2.840 N/A ARG 232.A NH1 GLU 160.A OE2 no hydrogen 2.574 N/A ARG 232.A NH1 LYS 170.A O no hydrogen 3.164 N/A ARG 232.A NH2 GLU 160.A OE1 no hydrogen 2.955 N/A ARG 232.A NH2 GLU 160.A OE2 no hydrogen 3.356 N/A ARG 232.A NH2 LYS 226.A O no hydrogen 2.885 N/A VAL 238.A N MET 234.A O no hydrogen 3.212 N/A LEU 239.A N LEU 235.A O no hydrogen 3.050 N/A HIS 241.A N VAL 238.A O no hydrogen 3.009 N/A HIS 241.A NE2 ASP 219.A OD1 no hydrogen 2.973 N/A TRP 243.A N HIS 241.A ND1 no hydrogen 3.332 N/A TRP 243.A NE1 GLU 105.A OE1 no hydrogen 3.087 N/A THR 245.A N HIS 241.A O no hydrogen 2.754 N/A THR 245.A OG1 HIS 241.A O no hydrogen 3.496 N/A THR 245.A OG1 PRO 242.A O no hydrogen 3.361 N/A ALA 246.A N PRO 242.A O no hydrogen 3.067 N/A ASN 247.A N ILE 244.A O no hydrogen 3.220 N/A ASN 247.A ND2 TRP 243.A O no hydrogen 2.623 N/A SER 248.A N ILE 244.A O no hydrogen 2.976 N/A SER 248.A OG THR 113.A OG1 no hydrogen 3.046 N/A SER 248.A OG LYS 250.A O no hydrogen 3.303 N/A SER 249.A N THR 110.A OG1 no hydrogen 3.314 N/A SER 249.A OG THR 110.A OG1 no hydrogen 3.080 N/A