Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ml5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N ASP 11.A O no hydrogen 2.842 N/A GLY 8.A N ASP 11.A OD1 no hydrogen 2.757 N/A HIS 15.A N GLY 12.A O no hydrogen 2.790 N/A HIS 15.A NE2 GLN 9.A O no hydrogen 3.037 N/A TRP 16.A N PRO 13.A O no hydrogen 3.255 N/A TRP 16.A NE1 GLY 6.A O no hydrogen 3.180 N/A TRP 16.A NE1 ASP 11.A O no hydrogen 3.036 N/A LYS 18.A N HIS 15.A O no hydrogen 3.059 N/A LYS 18.A NZ HIS 15.A ND1 no hydrogen 3.253 N/A LEU 19.A N TRP 16.A O no hydrogen 3.116 N/A TYR 20.A N TRP 16.A O no hydrogen 2.792 N/A ALA 23.A N TYR 20.A O no hydrogen 2.857 N/A GLN 24.A N PRO 21.A O no hydrogen 3.385 N/A GLY 25.A N ILE 22.A O no hydrogen 2.877 N/A ARG 27.A N GLU 205.A OE2 no hydrogen 3.016 N/A ARG 27.A NE GLY 196.A O no hydrogen 3.127 N/A ARG 27.A NH2 GLY 196.A O no hydrogen 3.093 N/A ARG 27.A NH2 VAL 207.A O no hydrogen 3.150 N/A GLN 28.A NE2 LEU 203.A O no hydrogen 3.261 N/A GLN 28.A NE2 GLU 205.A OE2 no hydrogen 2.966 N/A SER 29.A N SER 197.A OG no hydrogen 3.057 N/A SER 29.A OG TYR 194.A OH no hydrogen 2.839 N/A SER 29.A OG SER 197.A O no hydrogen 3.504 N/A ASN 32.A ND2 THR 108.A O no hydrogen 3.332 N/A ILE 33.A N.A THR 108.A O no hydrogen 2.696 N/A ILE 33.A N.B THR 108.A O no hydrogen 2.699 N/A SER 35.A N ASP 110.A OD2 no hydrogen 2.980 N/A SER 35.A OG ASP 110.A OD1 no hydrogen 2.602 N/A SER 35.A OG ASP 110.A OD2 no hydrogen 3.204 N/A GLN 37.A N ILE 34.A O no hydrogen 2.925 N/A ALA 38.A N SER 35.A O no hydrogen 3.124 N/A VAL 39.A N VAL 256.A O no hydrogen 2.742 N/A SER 41.A N ALA 258.A O no hydrogen 2.782 N/A SER 41.A OG VAL 39.A O no hydrogen 2.865 N/A LEU 44.A N SER 41.A O no hydrogen 3.336 N/A GLU 48.A N THR 80.A O no hydrogen 2.953 N/A SER 50.A N VAL 78.A O no hydrogen 2.951 N/A TYR 51.A OH HIS 122.A NE2 no hydrogen 2.723 N/A SER 56.A OG PHE 176.A O no hydrogen 2.771 N/A LEU 57.A N ASP 69.A O no hydrogen 2.842 N/A SER 58.A N.A ASP 69.A OD1 no hydrogen 2.973 N/A SER 58.A N.B ASP 69.A OD1 no hydrogen 2.980 N/A SER 58.A OG.B ASP 69.A OD1 no hydrogen 2.613 N/A ILE 59.A N ALA 174.A O no hydrogen 2.924 N/A THR 60.A N GLN 67.A O no hydrogen 2.610 N/A ASN 61.A N THR 172.A O no hydrogen 3.004 N/A ASN 61.A ND2 VAL 167.A O no hydrogen 2.970 N/A ASN 61.A ND2 LEU 230.A O no hydrogen 3.176 N/A ASN 62.A N SER 65.A O no hydrogen 3.209 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.955 N/A HIS 64.A NE2 HIS 2.A NE2 no hydrogen 2.519 N/A SER 65.A OG VAL 66.A O no hydrogen 3.313 N/A SER 65.A OG PHE 95.A O no hydrogen 2.662 N/A GLN 67.A N THR 60.A O no hydrogen 2.668 N/A VAL 68.A N PHE 93.A O no hydrogen 2.978 N/A ASP 69.A N SER 58.A O.A no hydrogen 3.195 N/A ASP 69.A N SER 58.A O.B no hydrogen 3.202 N/A PHE 70.A N LYS 91.A O no hydrogen 2.854 N/A ASN 71.A N MET 55.A O no hydrogen 2.972 N/A SER 73.A OG ASN 71.A OD1 no hydrogen 2.755 N/A ARG 76.A NE ASP 74.A OD2 no hydrogen 2.588 N/A VAL 78.A N SER 50.A O no hydrogen 3.017 N/A VAL 79.A N TYR 88.A O no hydrogen 2.970 N/A THR 80.A N GLU 48.A O no hydrogen 2.883 N/A GLY 82.A N GLN 45.A O no hydrogen 2.754 N/A LEU 84.A N GLY 81.A O no hydrogen 3.087 N/A TYR 88.A N VAL 79.A O no hydrogen 3.084 N/A TYR 88.A OH ASP 139.A O no hydrogen 2.707 N/A ARG 89.A N TRP 123.A O no hydrogen 2.901 N/A ARG 89.A NH1 ASP 72.A O no hydrogen 2.765 N/A LEU 90.A N THR 77.A O no hydrogen 3.008 N/A LYS 91.A N VAL 121.A O no hydrogen 2.814 N/A GLN 92.A N VAL 121.A O no hydrogen 3.514 N/A PHE 93.A N VAL 68.A O no hydrogen 3.022 N/A HIS 94.A N HIS 119.A O no hydrogen 2.962 N/A HIS 94.A ND1 GLN 92.A OE1 no hydrogen 2.786 N/A PHE 95.A N SER 65.A OG no hydrogen 3.226 N/A HIS 96.A N GLU 117.A O no hydrogen 3.000 N/A HIS 96.A ND1 ASN 244.A O no hydrogen 2.808 N/A TRP 97.A N ASN 244.A OD1 no hydrogen 2.816 N/A TRP 97.A NE1 MET 241.A O no hydrogen 2.672 N/A GLY 98.A N PRO 115.A O no hydrogen 3.376 N/A LYS 99.A N ASN 243.A OD1 no hydrogen 2.903 N/A VAL 103.A N LYS 100.A O no hydrogen 3.216 N/A SER 105.A N PHE 114.A O no hydrogen 2.777 N/A SER 105.A OG HIS 107.A O no hydrogen 2.907 N/A SER 105.A OG PHE 114.A O no hydrogen 3.400 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.848 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.778 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.874 N/A HIS 107.A NE2 TYR 194.A OH no hydrogen 2.605 N/A THR 108.A N ILE 31.A O no hydrogen 3.347 N/A VAL 109.A N LYS 112.A O no hydrogen 2.944 N/A ASP 110.A N ILE 33.A O.A no hydrogen 2.859 N/A ASP 110.A N ILE 33.A O.B no hydrogen 2.869 N/A LYS 112.A N VAL 109.A O no hydrogen 2.923 N/A PHE 114.A N SER 105.A OG no hydrogen 2.831 N/A SER 116.A OG HIS 96.A O no hydrogen 2.871 N/A GLU 117.A N HIS 96.A O no hydrogen 2.918 N/A LEU 118.A N VAL 146.A O no hydrogen 2.711 N/A HIS 119.A N HIS 94.A O no hydrogen 2.852 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.626 N/A LEU 120.A N VAL 144.A O no hydrogen 2.851 N/A VAL 121.A N GLN 92.A O no hydrogen 2.796 N/A HIS 122.A N ALA 142.A O no hydrogen 2.850 N/A HIS 122.A ND1 ALA 142.A O no hydrogen 3.036 N/A HIS 122.A NE2 TYR 51.A OH no hydrogen 2.723 N/A TRP 123.A N ARG 89.A O no hydrogen 2.966 N/A TRP 123.A NE1 ASP 72.A OD1 no hydrogen 3.166 N/A ASN 124.A N GLY 140.A O no hydrogen 2.805 N/A ASN 124.A ND2 ASP 139.A O no hydrogen 3.698 N/A ALA 125.A N TRP 123.A O no hydrogen 3.038 N/A LYS 127.A N ASN 124.A OD1 no hydrogen 3.294 N/A LYS 127.A NZ ASP 139.A OD1 no hydrogen 2.849 N/A TYR 128.A N ASN 124.A O no hydrogen 3.045 N/A TYR 128.A OH ASP 139.A OD2 no hydrogen 2.622 N/A SER 129.A N GLU 133.A OE1 no hydrogen 2.976 N/A GLU 133.A N THR 130.A OG1 no hydrogen 3.049 N/A ALA 134.A N THR 130.A O no hydrogen 2.935 N/A ALA 135.A N PHE 131.A O no hydrogen 2.801 N/A SER 136.A N GLU 133.A O no hydrogen 2.982 N/A SER 136.A OG GLU 133.A O no hydrogen 2.714 N/A ALA 137.A N ALA 134.A O no hydrogen 3.097 N/A GLY 140.A N ALA 137.A O no hydrogen 2.912 N/A LEU 141.A N SER 206.A O no hydrogen 2.878 N/A ALA 142.A N HIS 122.A O no hydrogen 2.975 N/A VAL 143.A N THR 208.A O no hydrogen 3.265 N/A VAL 144.A N LEU 120.A O no hydrogen 2.877 N/A GLY 145.A N ILE 210.A O no hydrogen 2.892 N/A VAL 146.A N LEU 118.A O no hydrogen 2.845 N/A LEU 148.A N SER 116.A O no hydrogen 3.004 N/A GLU 149.A N ILE 216.A O no hydrogen 2.973 N/A GLY 151.A N ILE 218.A O no hydrogen 2.781 N/A HIS 154.A N GLN 222.A OE1 no hydrogen 3.003 N/A SER 156.A OG SER 183.A OG no hydrogen 2.817 N/A MET 157.A N HIS 154.A ND1 no hydrogen 3.050 N/A ASN 158.A N PRO 155.A O no hydrogen 3.050 N/A ASN 158.A ND2 GLU 153.A OE1 no hydrogen 3.090 N/A ASN 158.A ND2 PRO 155.A O no hydrogen 3.641 N/A ARG 159.A NH1 SER 177.A O.A no hydrogen 2.733 N/A ARG 159.A NH1 SER 177.A O.B no hydrogen 2.718 N/A ARG 159.A NH1 CYS 178.A O no hydrogen 3.371 N/A ARG 159.A NH2 SER 177.A O.A no hydrogen 2.692 N/A ARG 159.A NH2 SER 177.A O.B no hydrogen 2.687 N/A THR 161.A N MET 157.A O no hydrogen 2.874 N/A THR 161.A OG1 MET 157.A O no hydrogen 2.883 N/A THR 161.A OG1 ASN 158.A O no hydrogen 3.284 N/A ASP 162.A N ASN 158.A O no hydrogen 2.793 N/A ALA 163.A N ARG 159.A O no hydrogen 3.241 N/A ALA 163.A N LEU 160.A O no hydrogen 3.090 N/A LEU 164.A N THR 161.A O no hydrogen 3.178 N/A ARG 168.A N TYR 165.A O no hydrogen 3.047 N/A ARG 168.A NH1 TYR 165.A O no hydrogen 2.918 N/A LYS 170.A N THR 232.A O no hydrogen 2.892 N/A LYS 170.A NZ ASN 62.A O no hydrogen 3.321 N/A GLY 171.A N ASN 61.A O no hydrogen 2.812 N/A THR 172.A N PHE 169.A O no hydrogen 3.304 N/A THR 172.A OG1 PHE 169.A O no hydrogen 2.590 N/A LYS 173.A NZ SER 58.A OG.A no hydrogen 3.309 N/A ALA 174.A N ILE 59.A O no hydrogen 3.056 N/A PHE 176.A N LEU 57.A O no hydrogen 2.991 N/A PHE 179.A N SER 56.A OG no hydrogen 2.952 N/A LYS 182.A N ASN 180.A OD1 no hydrogen 2.906 N/A SER 183.A N ASN 180.A O no hydrogen 2.823 N/A SER 183.A OG SER 156.A OG no hydrogen 2.817 N/A SER 183.A OG ASN 180.A O no hydrogen 2.744 N/A LEU 184.A N PRO 181.A O no hydrogen 3.045 N/A LEU 185.A N LYS 182.A O no hydrogen 3.174 N/A ARG 189.A NH1 PRO 186.A O no hydrogen 2.837 N/A ARG 189.A NH1 SER 188.A O no hydrogen 3.035 N/A HIS 190.A N SER 188.A OG no hydrogen 3.167 N/A TYR 191.A N SER 259.A OG no hydrogen 2.970 N/A TRP 192.A N VAL 211.A O no hydrogen 2.829 N/A THR 193.A N LYS 257.A O no hydrogen 2.816 N/A THR 193.A OG1 TRP 209.A O no hydrogen 2.659 N/A TYR 194.A N TRP 209.A O no hydrogen 3.298 N/A TYR 194.A OH SER 29.A OG no hydrogen 2.839 N/A TYR 194.A OH HIS 107.A NE2 no hydrogen 2.605 N/A GLY 196.A N VAL 207.A O no hydrogen 2.754 N/A SER 197.A N SER 29.A OG no hydrogen 2.935 N/A SER 197.A OG LEU 198.A O no hydrogen 2.967 N/A LEU 198.A N SER 204.A O no hydrogen 3.008 N/A THR 199.A OG1 GLU 106.A OE1 no hydrogen 2.521 N/A THR 199.A OG1 GLU 106.A OE2 no hydrogen 3.511 N/A THR 200.A OG1 PRO 201.A O no hydrogen 3.519 N/A LEU 203.A N THR 200.A O no hydrogen 2.918 N/A SER 206.A OG ALA 135.A O no hydrogen 2.690 N/A VAL 207.A N GLY 196.A O no hydrogen 3.286 N/A THR 208.A N LEU 141.A O no hydrogen 2.913 N/A TRP 209.A N TYR 194.A O no hydrogen 3.025 N/A TRP 209.A NE1 SER 197.A O no hydrogen 2.830 N/A ILE 210.A N VAL 143.A O no hydrogen 3.028 N/A VAL 211.A N TRP 192.A O no hydrogen 2.849 N/A LEU 212.A N GLY 145.A O no hydrogen 2.970 N/A ARG 213.A N HIS 190.A O no hydrogen 3.037 N/A ILE 216.A N PHE 147.A O no hydrogen 2.890 N/A SER 217.A OG ASP 152.A O no hydrogen 3.166 N/A ILE 218.A N GLU 149.A O no hydrogen 3.032 N/A SER 219.A N GLN 222.A OE1 no hydrogen 3.038 N/A ARG 221.A NH2 GLU 153.A OE2 no hydrogen 2.938 N/A ARG 221.A NH2 ASN 158.A OD1 no hydrogen 2.863 N/A GLN 222.A N SER 219.A OG no hydrogen 3.063 N/A GLN 222.A NE2 HIS 154.A O no hydrogen 2.906 N/A GLN 222.A NE2 ASN 158.A OD1 no hydrogen 2.951 N/A MET 223.A N SER 219.A O no hydrogen 3.032 N/A GLY 224.A N GLU 220.A O no hydrogen 2.735 N/A LYS 225.A N ARG 221.A O no hydrogen 3.120 N/A LYS 225.A N GLN 222.A O no hydrogen 3.039 N/A ARG 227.A N MET 223.A O no hydrogen 3.311 N/A ARG 227.A NE GLY 98.A O no hydrogen 2.896 N/A SER 228.A N LYS 225.A O no hydrogen 3.121 N/A SER 228.A OG LYS 225.A O no hydrogen 2.641 N/A LEU 229.A N PHE 226.A O no hydrogen 3.020 N/A LEU 230.A N ARG 168.A O no hydrogen 2.961 N/A PHE 231.A N ILE 239.A O no hydrogen 2.797 N/A THR 232.A OG1 GLU 237.A O no hydrogen 3.272 N/A ASP 236.A N SER 233.A O no hydrogen 3.107 N/A ILE 239.A N THR 232.A OG1 no hydrogen 3.370 N/A HIS 240.A ND1 LEU 229.A O no hydrogen 3.255 N/A MET 241.A N LEU 229.A O no hydrogen 2.642 N/A ASN 244.A N TRP 97.A O no hydrogen 3.360 N/A ASN 244.A ND2 HIS 64.A O no hydrogen 2.946 N/A ASN 244.A ND2 PHE 95.A O no hydrogen 3.472 N/A ARG 246.A N GLU 106.A OE2 no hydrogen 2.755 N/A ARG 246.A NH1 GLN 28.A OE1 no hydrogen 2.721 N/A ARG 246.A NH1 SER 29.A O no hydrogen 2.812 N/A ARG 246.A NH2 ALA 23.A O no hydrogen 3.131 N/A ARG 246.A NH2 GLN 28.A OE1 no hydrogen 3.285 N/A GLN 249.A N PRO 30.A O no hydrogen 2.700 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 2.826 N/A LYS 252.A NZ GLY 25.A O no hydrogen 2.660 N/A ARG 254.A N LEU 251.A O no hydrogen 3.232 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.860 N/A ARG 254.A NH1 GLN 28.A O no hydrogen 2.996 N/A ARG 254.A NH1 PRO 195.A O no hydrogen 3.007 N/A ARG 254.A NH2 GLN 28.A O no hydrogen 2.806 N/A ARG 254.A NH2 PRO 250.A O no hydrogen 2.914 N/A LYS 257.A N THR 193.A O no hydrogen 2.844 N/A ALA 258.A N VAL 39.A O no hydrogen 2.896 N/A SER 259.A N TYR 191.A O no hydrogen 3.035 N/A SER 259.A OG TYR 191.A O no hydrogen 3.482 N/A