Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xne_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 3.061 N/A ASP 6.A N ALA 3.A O no hydrogen 2.983 N/A PHE 7.A N LEU 4.A O no hydrogen 3.158 N/A GLU 8.A N ARG 25.A O no hydrogen 2.897 N/A GLY 10.A N LEU 23.A O no hydrogen 2.635 N/A LEU 13.A N VAL 21.A O no hydrogen 2.746 N/A ASN 20.A ND2 TYR 22.A OH no hydrogen 3.402 N/A VAL 21.A N GLY 14.A O no hydrogen 2.988 N/A TYR 22.A N LEU 35.A O no hydrogen 3.036 N/A LEU 23.A N ARG 11.A O no hydrogen 2.997 N/A ALA 24.A N LEU 33.A O no hydrogen 2.900 N/A ARG 25.A N GLU 8.A O no hydrogen 3.100 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 2.757 N/A GLU 26.A N PHE 31.A O no hydrogen 3.033 N/A LYS 27.A N ASP 6.A O no hydrogen 3.016 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.864 N/A LYS 30.A N GLU 26.A O no hydrogen 2.495 N/A LEU 33.A N ALA 24.A O no hydrogen 2.930 N/A ALA 34.A N LEU 77.A O no hydrogen 2.845 N/A LEU 35.A N TYR 22.A O no hydrogen 2.765 N/A LYS 36.A N LEU 75.A O no hydrogen 2.914 N/A LYS 36.A NZ ASN 141.A OD1 no hydrogen 3.128 N/A VAL 37.A N ASN 20.A O no hydrogen 2.793 N/A LEU 38.A N VAL 73.A O no hydrogen 2.923 N/A LEU 45.A N VAL 41.A O no hydrogen 3.068 N/A ARG 46.A N GLU 42.A O no hydrogen 3.290 N/A ARG 47.A N HIS 43.A O no hydrogen 3.265 N/A GLU 48.A N GLN 44.A O no hydrogen 2.999 N/A VAL 49.A N LEU 45.A O no hydrogen 2.747 N/A GLU 50.A N ARG 46.A O no hydrogen 3.078 N/A ILE 51.A N ARG 47.A O no hydrogen 2.655 N/A GLN 52.A N GLU 48.A O no hydrogen 2.995 N/A GLN 52.A NE2 LEU 61.A O no hydrogen 3.081 N/A SER 53.A N VAL 49.A O no hydrogen 3.216 N/A SER 53.A OG VAL 49.A O no hydrogen 2.762 N/A SER 53.A OG GLU 50.A O no hydrogen 3.217 N/A HIS 54.A ND1 GLU 50.A O no hydrogen 3.023 N/A LEU 55.A N GLN 52.A O no hydrogen 2.849 N/A ARG 56.A N TYR 113.A OH no hydrogen 3.222 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 2.969 N/A ASN 59.A ND2 LEU 137.A O no hydrogen 3.104 N/A ILE 60.A N HIS 57.A O no hydrogen 2.847 N/A LEU 61.A N ILE 139.A O no hydrogen 2.729 N/A ARG 62.A N GLU 78.A OE1 no hydrogen 2.975 N/A TYR 64.A N ILE 76.A O no hydrogen 2.935 N/A PHE 67.A N TYR 74.A O no hydrogen 3.164 N/A ASP 69.A N ARG 72.A O no hydrogen 3.026 N/A ARG 72.A NE TYR 74.A OH no hydrogen 2.917 N/A VAL 73.A N LEU 38.A O no hydrogen 2.520 N/A TYR 74.A N PHE 67.A O no hydrogen 2.737 N/A LEU 75.A N LYS 36.A O no hydrogen 2.909 N/A ILE 76.A N GLY 65.A O no hydrogen 2.988 N/A LEU 77.A N ALA 34.A O no hydrogen 2.773 N/A GLU 78.A N ARG 62.A O no hydrogen 2.947 N/A LEU 82.A N LEU 131.A O no hydrogen 3.112 N/A GLY 83.A N ALA 80.A O no hydrogen 3.263 N/A VAL 85.A N LEU 129.A O no hydrogen 2.929 N/A ARG 87.A N THR 84.A OG1 no hydrogen 2.940 N/A GLU 88.A N THR 84.A O no hydrogen 3.384 N/A LEU 89.A N VAL 85.A O no hydrogen 2.909 N/A LEU 89.A N TYR 86.A O no hydrogen 3.195 N/A GLN 90.A N TYR 86.A O no hydrogen 3.008 N/A LYS 91.A N ARG 87.A O no hydrogen 2.895 N/A LYS 91.A NZ GLU 88.A OE1 no hydrogen 3.487 N/A LEU 92.A N GLU 88.A O no hydrogen 3.048 N/A LYS 94.A N LEU 92.A O no hydrogen 2.681 N/A PHE 95.A N PHE 180.A O no hydrogen 2.646 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 2.642 N/A ARG 99.A N ASP 96.A OD1 no hydrogen 2.697 N/A ARG 99.A NE TYR 103.A OH no hydrogen 3.447 N/A THR 100.A N ASP 96.A O no hydrogen 2.964 N/A THR 100.A OG1 ASP 96.A O no hydrogen 3.069 N/A ALA 101.A N GLU 97.A O no hydrogen 2.934 N/A THR 102.A N GLN 98.A O no hydrogen 3.268 N/A THR 102.A OG1 GLN 98.A O no hydrogen 2.769 N/A TYR 103.A N ARG 99.A O no hydrogen 3.095 N/A ILE 104.A N THR 100.A O no hydrogen 2.933 N/A THR 105.A N ALA 101.A O no hydrogen 3.024 N/A THR 105.A OG1 ALA 101.A O no hydrogen 2.829 N/A THR 105.A OG1 SER 245.A OG no hydrogen 2.695 N/A GLU 106.A N THR 102.A O no hydrogen 2.871 N/A LEU 107.A N TYR 103.A O no hydrogen 2.688 N/A ALA 108.A N ILE 104.A O no hydrogen 2.632 N/A ASN 109.A N THR 105.A O no hydrogen 2.853 N/A ALA 110.A N GLU 106.A O no hydrogen 3.118 N/A LEU 111.A N LEU 107.A O no hydrogen 2.889 N/A SER 112.A N ALA 108.A O no hydrogen 2.698 N/A TYR 113.A N ASN 109.A O no hydrogen 3.063 N/A CYS 114.A N ALA 110.A O no hydrogen 3.005 N/A CYS 114.A SG ALA 110.A O no hydrogen 3.091 N/A HIS 115.A N LEU 111.A O no hydrogen 2.823 N/A HIS 115.A NE2 ASP 169.A OD2 no hydrogen 3.045 N/A SER 116.A N SER 112.A O no hydrogen 3.219 N/A SER 116.A N TYR 113.A O no hydrogen 2.956 N/A SER 116.A OG TYR 113.A O no hydrogen 2.647 N/A LYS 117.A N TYR 113.A O no hydrogen 3.450 N/A ARG 118.A N HIS 115.A O no hydrogen 2.871 N/A VAL 119.A N CYS 114.A O no hydrogen 2.793 N/A ILE 120.A N VAL 146.A O no hydrogen 3.276 N/A HIS 121.A N ASP 169.A OD2 no hydrogen 3.326 N/A HIS 121.A NE2 ALA 140.A O no hydrogen 2.987 N/A ARG 122.A N ASP 169.A OD1 no hydrogen 3.198 N/A ARG 122.A NE TRP 144.A O no hydrogen 3.044 N/A ARG 122.A NH1 HIS 164.A NE2 no hydrogen 3.293 N/A ARG 122.A NH2 TRP 144.A O no hydrogen 2.938 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 3.184 N/A LYS 125.A NZ ASP 123.A OD1 no hydrogen 2.694 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.964 N/A ASN 128.A N LYS 125.A O no hydrogen 2.723 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.768 N/A LEU 129.A N PRO 126.A O no hydrogen 2.906 N/A LEU 130.A N LYS 138.A O no hydrogen 2.915 N/A LEU 131.A N GLY 83.A O no hydrogen 2.825 N/A GLY 132.A N GLU 136.A O no hydrogen 2.853 N/A GLY 135.A N GLY 132.A O no hydrogen 2.791 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.820 N/A LEU 137.A N GLU 106.A OE1 no hydrogen 2.825 N/A LYS 138.A N LEU 130.A O no hydrogen 2.837 N/A LYS 138.A NZ PRO 58.A O no hydrogen 2.650 N/A LYS 138.A NZ GLU 78.A OE2 no hydrogen 3.300 N/A ILE 139.A N ASN 59.A O no hydrogen 2.953 N/A ALA 140.A N ASN 128.A O no hydrogen 3.097 N/A ASN 141.A ND2 ASN 128.A OD1 no hydrogen 2.843 N/A SER 145.A N PHE 142.A O no hydrogen 3.056 N/A SER 145.A OG ILE 120.A O no hydrogen 3.046 N/A HIS 147.A NE2 LYS 117.A O no hydrogen 2.806 N/A THR 150.A OG1 ASP 152.A OD2 no hydrogen 3.404 N/A ASP 152.A N THR 150.A OG1 no hydrogen 3.364 N/A TYR 153.A OH GLU 179.A OE1 no hydrogen 2.695 N/A TYR 153.A OH GLU 179.A OE2 no hydrogen 3.250 N/A LEU 154.A N LEU 151.A O no hydrogen 2.746 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.871 N/A MET 158.A N PRO 155.A O no hydrogen 3.088 N/A ILE 159.A N PRO 155.A O no hydrogen 3.431 N/A GLU 160.A N PRO 156.A O no hydrogen 3.223 N/A GLY 161.A N MET 158.A O no hydrogen 2.880 N/A ARG 162.A NH1 GLU 160.A OE1 no hydrogen 2.668 N/A ARG 162.A NH2 GLU 160.A OE1 no hydrogen 3.174 N/A LYS 167.A N ASP 165.A OD1 no hydrogen 3.307 N/A LYS 167.A NZ ARG 229.A O no hydrogen 2.810 N/A LYS 167.A NZ PRO 230.A O no hydrogen 3.262 N/A VAL 168.A N ASP 165.A O no hydrogen 3.307 N/A LEU 170.A N LYS 167.A O no hydrogen 2.976 N/A TRP 171.A N LYS 167.A O no hydrogen 3.348 N/A TRP 171.A N VAL 168.A O no hydrogen 3.093 N/A SER 172.A N VAL 168.A O no hydrogen 3.017 N/A SER 172.A OG TYR 153.A O no hydrogen 3.034 N/A SER 172.A OG VAL 168.A O no hydrogen 3.196 N/A LEU 173.A N ASP 169.A O no hydrogen 2.917 N/A GLY 174.A N LEU 170.A O no hydrogen 3.142 N/A GLY 174.A N TRP 171.A O no hydrogen 3.074 N/A VAL 175.A N TRP 171.A O no hydrogen 2.964 N/A LEU 176.A N SER 172.A O no hydrogen 2.912 N/A CYS 177.A N LEU 173.A O no hydrogen 3.065 N/A TYR 178.A N GLY 174.A O no hydrogen 2.984 N/A TYR 178.A OH THR 205.A O no hydrogen 2.653 N/A GLU 179.A N VAL 175.A O no hydrogen 3.039 N/A PHE 180.A N LEU 176.A O no hydrogen 2.896 N/A VAL 182.A N TYR 178.A O no hydrogen 2.950 N/A GLY 183.A N GLU 179.A O no hydrogen 2.846 N/A GLU 188.A N PRO 185.A O no hydrogen 3.377 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.272 N/A THR 195.A N THR 191.A O no hydrogen 3.121 N/A THR 195.A OG1 THR 191.A O no hydrogen 3.188 N/A TYR 196.A N TYR 192.A O no hydrogen 3.000 N/A TYR 196.A OH ILE 159.A O no hydrogen 3.363 N/A LYS 197.A N GLN 193.A O no hydrogen 3.197 N/A ARG 198.A N GLU 194.A O no hydrogen 2.939 N/A ARG 198.A NE GLU 203.A O no hydrogen 3.456 N/A ARG 198.A NH2 GLU 203.A O no hydrogen 3.031 N/A ILE 199.A N THR 195.A O no hydrogen 2.922 N/A SER 200.A N TYR 196.A O no hydrogen 2.925 N/A SER 200.A OG GLU 160.A OE2 no hydrogen 3.544 N/A SER 200.A OG TYR 196.A O no hydrogen 2.818 N/A ARG 201.A N LYS 197.A O no hydrogen 2.925 N/A ARG 201.A NH1 GLU 203.A OE2 no hydrogen 3.241 N/A VAL 202.A N ILE 199.A O no hydrogen 3.232 N/A GLU 203.A N ARG 198.A O no hydrogen 2.813 N/A VAL 210.A N PRO 207.A O no hydrogen 2.993 N/A THR 211.A OG1 GLU 97.A OE1 no hydrogen 3.546 N/A THR 211.A OG1 GLU 97.A OE2 no hydrogen 2.627 N/A ALA 214.A N THR 211.A OG1 no hydrogen 3.426 N/A ARG 215.A N THR 211.A O no hydrogen 2.948 N/A ARG 215.A NE VAL 210.A O no hydrogen 2.712 N/A ASP 216.A N GLU 212.A O no hydrogen 3.087 N/A LEU 217.A N GLY 213.A O no hydrogen 3.383 N/A ILE 218.A N ALA 214.A O no hydrogen 3.075 N/A SER 219.A N ARG 215.A O no hydrogen 2.816 N/A SER 219.A OG ARG 215.A O no hydrogen 3.015 N/A ARG 220.A N ASP 216.A O no hydrogen 2.823 N/A LEU 221.A N LEU 217.A O no hydrogen 3.023 N/A LEU 221.A N ILE 218.A O no hydrogen 3.131 N/A LEU 222.A N ILE 218.A O no hydrogen 3.000 N/A GLN 228.A N ASN 225.A O no hydrogen 2.996 N/A ARG 229.A N PRO 226.A O no hydrogen 3.212 N/A ARG 229.A NE LYS 223.A O no hydrogen 2.862 N/A ARG 229.A NH1 GLU 157.A OE2 no hydrogen 2.879 N/A ARG 229.A NH1 LYS 167.A O no hydrogen 3.223 N/A ARG 229.A NH2 GLU 157.A OE1 no hydrogen 2.804 N/A ARG 229.A NH2 GLU 157.A OE2 no hydrogen 3.203 N/A ARG 229.A NH2 LYS 223.A O no hydrogen 3.189 N/A MET 231.A N GLU 234.A OE2 no hydrogen 3.116 N/A VAL 235.A N MET 231.A O no hydrogen 3.147 N/A LEU 236.A N LEU 232.A O no hydrogen 3.090 N/A GLU 237.A N ARG 233.A O no hydrogen 3.239 N/A HIS 238.A N VAL 235.A O no hydrogen 3.203 N/A HIS 238.A NE2 ASP 216.A OD1 no hydrogen 3.178 N/A TRP 240.A N HIS 238.A ND1 no hydrogen 3.333 N/A TRP 240.A NE1 GLU 97.A OE2 no hydrogen 2.745 N/A THR 242.A N HIS 238.A O no hydrogen 2.891 N/A THR 242.A OG1 HIS 238.A O no hydrogen 3.334 N/A THR 242.A OG1 PRO 239.A O no hydrogen 3.261 N/A ALA 243.A N PRO 239.A O no hydrogen 3.036 N/A ASN 244.A N ILE 241.A O no hydrogen 2.790 N/A ASN 244.A ND2 TRP 240.A O no hydrogen 3.295 N/A SER 245.A N ILE 241.A O no hydrogen 2.675 N/A SER 245.A OG THR 105.A OG1 no hydrogen 2.695 N/A SER 246.A N SER 245.A OG no hydrogen 2.621 N/A