Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ne6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ARG 5.A O no hydrogen 2.620 N/A ARG 5.A NH2 ASP 38.A OD1 no hydrogen 2.493 N/A LYS 10.A NZ ILE 8.A O no hydrogen 2.849 N/A LYS 10.A NZ PHE 40.A O no hydrogen 2.622 N/A LYS 10.A NZ MET 43.A O no hydrogen 2.932 N/A THR 14.A N ASP 11.A OD2 no hydrogen 2.568 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 2.987 N/A ALA 16.A N TYR 12.A O no hydrogen 2.915 N/A ALA 17.A N LYS 13.A O no hydrogen 2.993 N/A LEU 18.A N THR 14.A O no hydrogen 2.758 N/A ALA 19.A N MET 15.A O no hydrogen 3.110 N/A LYS 20.A N ALA 16.A O no hydrogen 3.008 N/A ALA 21.A N ALA 17.A O no hydrogen 3.035 N/A ILE 22.A N LEU 18.A O no hydrogen 2.948 N/A GLU 23.A N ALA 19.A O no hydrogen 2.665 N/A LYS 24.A NZ GLU 86.A OE2 no hydrogen 3.426 N/A ASN 25.A N ILE 22.A O no hydrogen 3.072 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.962 N/A PHE 28.A N ASN 25.A O no hydrogen 3.002 N/A SER 29.A N VAL 26.A O no hydrogen 2.949 N/A SER 29.A OG VAL 26.A O no hydrogen 2.848 N/A ASP 32.A N GLU 35.A OE1 no hydrogen 2.815 N/A GLU 35.A N ASP 32.A OD2 no hydrogen 2.705 N/A ARG 36.A N ASP 32.A O no hydrogen 2.809 N/A SER 37.A N ASP 33.A O no hydrogen 3.182 N/A SER 37.A OG ASP 33.A O no hydrogen 2.844 N/A ASP 38.A N ASN 34.A O no hydrogen 3.148 N/A ILE 39.A N GLU 35.A O no hydrogen 2.889 N/A PHE 40.A N ARG 36.A O no hydrogen 2.863 N/A ASP 41.A N SER 37.A O no hydrogen 2.878 N/A ALA 42.A N ASP 38.A O no hydrogen 2.632 N/A MET 43.A N ILE 39.A O no hydrogen 2.951 N/A PHE 44.A N GLY 115.A O no hydrogen 2.968 N/A VAL 46.A N LEU 113.A O no hydrogen 2.996 N/A PHE 48.A N VAL 111.A O no hydrogen 2.953 N/A ILE 49.A N GLU 52.A OE2 no hydrogen 3.063 N/A GLY 51.A N ALA 107.A O no hydrogen 3.084 N/A GLU 52.A N ILE 49.A O no hydrogen 2.806 N/A VAL 54.A N VAL 105.A O no hydrogen 2.904 N/A ILE 55.A N VAL 105.A O no hydrogen 3.260 N/A GLN 57.A N THR 104.A OG1 no hydrogen 2.714 N/A GLY 58.A N ARG 101.A O no hydrogen 2.781 N/A ASP 59.A N GLN 56.A O no hydrogen 3.102 N/A ASN 63.A N ASP 62.A OD1 no hydrogen 2.650 N/A ASN 63.A ND2 TYR 65.A OH no hydrogen 3.077 N/A PHE 64.A N ILE 116.A O no hydrogen 2.969 N/A TYR 65.A N PHE 90.A O no hydrogen 2.880 N/A VAL 66.A N TRP 114.A O no hydrogen 2.895 N/A ILE 67.A N GLY 88.A O no hydrogen 2.727 N/A ASP 68.A N LYS 112.A O no hydrogen 3.157 N/A GLN 69.A N LYS 112.A O no hydrogen 3.224 N/A GLU 71.A N THR 109.A OG1 no hydrogen 3.105 N/A MET 72.A N VAL 84.A O no hydrogen 2.794 N/A ASP 73.A N LYS 106.A O no hydrogen 2.772 N/A VAL 74.A N THR 82.A O no hydrogen 2.943 N/A TYR 75.A N THR 104.A O no hydrogen 2.900 N/A VAL 76.A N GLU 79.A O no hydrogen 2.711 N/A ASN 77.A N GLN 57.A OE1 no hydrogen 2.849 N/A GLU 79.A N VAL 76.A O no hydrogen 3.040 N/A ALA 81.A N VAL 74.A O no hydrogen 2.624 N/A SER 83.A OG GLU 71.A OE1 no hydrogen 2.714 N/A SER 83.A OG MET 72.A O no hydrogen 2.964 N/A VAL 84.A N MET 72.A O no hydrogen 3.159 N/A GLY 87.A N ILE 67.A O no hydrogen 2.726 N/A GLY 88.A N GLY 85.A O no hydrogen 2.951 N/A PHE 90.A N TYR 65.A O no hydrogen 2.888 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.684 N/A ILE 96.A N GLU 92.A O no hydrogen 2.995 N/A TYR 97.A N LEU 93.A O no hydrogen 2.912 N/A GLY 98.A N ALA 94.A O no hydrogen 2.783 N/A ARG 101.A N ASP 59.A O no hydrogen 2.832 N/A ARG 101.A NH1 GLY 91.A O no hydrogen 3.314 N/A ARG 101.A NH2 ASN 63.A O no hydrogen 2.867 N/A THR 104.A N TYR 75.A O no hydrogen 2.858 N/A THR 104.A OG1 GLN 56.A OE1 no hydrogen 3.525 N/A VAL 105.A N ILE 55.A O no hydrogen 2.765 N/A LYS 106.A N ASP 73.A O no hydrogen 2.976 N/A ALA 107.A N GLU 52.A O no hydrogen 2.794 N/A LYS 108.A N GLU 71.A O no hydrogen 2.749 N/A LYS 108.A NZ ASP 73.A OD1 no hydrogen 3.065 N/A LYS 108.A NZ ASP 73.A OD2 no hydrogen 2.856 N/A THR 109.A N GLU 71.A O no hydrogen 3.438 N/A THR 109.A OG1 ASN 110.A O no hydrogen 3.197 N/A VAL 111.A N PHE 48.A O no hydrogen 2.860 N/A LYS 112.A N GLN 69.A O no hydrogen 2.901 N/A LEU 113.A N VAL 46.A O no hydrogen 2.716 N/A TRP 114.A N VAL 66.A O no hydrogen 3.020 N/A TRP 114.A NE1 ASP 68.A OD2 no hydrogen 2.496 N/A GLY 115.A N PHE 44.A O no hydrogen 2.871 N/A ILE 116.A N PHE 64.A O no hydrogen 3.052 N/A ARG 118.A N ASP 62.A O no hydrogen 2.925 N/A SER 120.A N ASP 117.A OD2 no hydrogen 2.989 N/A SER 120.A OG ASP 117.A OD1 no hydrogen 2.565 N/A SER 120.A OG ASP 117.A OD2 no hydrogen 2.622 N/A TYR 121.A N ASP 117.A O no hydrogen 2.765 N/A ARG 122.A N ARG 118.A O no hydrogen 2.547 N/A ARG 122.A NH1 LEU 95.A O no hydrogen 2.840 N/A ARG 122.A NH1 ILE 96.A O no hydrogen 2.984 N/A ARG 123.A N ASP 119.A O no hydrogen 2.955 N/A ILE 124.A N SER 120.A O no hydrogen 2.991 N/A LEU 125.A N TYR 121.A O no hydrogen 2.941 N/A MET 126.A N TYR 121.A O no hydrogen 3.132 N/A SER 128.A OG LEU 125.A O no hydrogen 3.475 N/A THR 129.A N LEU 125.A O no hydrogen 3.112 N/A THR 129.A OG1 LEU 125.A O no hydrogen 3.185 N/A LEU 130.A N MET 126.A O no hydrogen 3.072 N/A ARG 131.A N GLY 127.A O no hydrogen 3.111 N/A LYS 132.A N SER 128.A O no hydrogen 2.975 N/A LYS 132.A NZ ALA 158.A O no hydrogen 3.403 N/A LYS 132.A NZ ASP 159.A O no hydrogen 2.972 N/A LYS 132.A NZ LEU 161.A O no hydrogen 2.285 N/A ARG 133.A N THR 129.A O no hydrogen 3.163 N/A ARG 133.A NE ASP 159.A OD1 no hydrogen 2.921 N/A ARG 133.A NH1 GLU 92.A OE2 no hydrogen 3.160 N/A ARG 133.A NH2 GLU 92.A OE2 no hydrogen 2.923 N/A ARG 133.A NH2 ASP 159.A OD2 no hydrogen 2.949 N/A LYS 134.A N LEU 130.A O no hydrogen 3.120 N/A MET 135.A N ARG 131.A O no hydrogen 3.194 N/A TYR 136.A N LYS 132.A O no hydrogen 3.336 N/A TYR 136.A N ARG 133.A O no hydrogen 3.220 N/A GLU 137.A N ARG 133.A O no hydrogen 2.722 N/A LEU 140.A N TYR 136.A O no hydrogen 2.768 N/A SER 141.A N GLU 137.A O no hydrogen 3.097 N/A SER 141.A OG GLU 138.A O no hydrogen 2.583 N/A LYS 142.A N PHE 139.A O no hydrogen 3.154 N/A LYS 142.A NZ GLU 138.A OE1 no hydrogen 3.256 N/A VAL 143.A N LEU 140.A O no hydrogen 3.073 N/A LEU 146.A N VAL 143.A O no hydrogen 3.024 N/A GLU 147.A N SER 144.A O no hydrogen 3.017 N/A SER 148.A N ILE 145.A O no hydrogen 3.445 N/A SER 148.A OG ILE 145.A O no hydrogen 3.019 N/A LEU 149.A N LEU 146.A O no hydrogen 3.158 N/A ASP 150.A N GLU 153.A OE1 no hydrogen 2.835 N/A LYS 151.A NZ GLU 137.A OE2 no hydrogen 2.842 N/A TRP 152.A NE1 GLU 92.A OE2 no hydrogen 2.935 N/A GLU 153.A N ASP 150.A OD1 no hydrogen 2.775 N/A ARG 154.A N ASP 150.A O no hydrogen 2.870 N/A ARG 154.A NE LEU 149.A O no hydrogen 3.449 N/A ARG 154.A NH2 LEU 149.A O no hydrogen 3.115 N/A LEU 155.A N LYS 151.A O no hydrogen 3.052 N/A THR 156.A N TRP 152.A O no hydrogen 2.995 N/A THR 156.A OG1 TRP 152.A O no hydrogen 3.503 N/A VAL 157.A N GLU 153.A O no hydrogen 3.188 N/A VAL 157.A N ARG 154.A O no hydrogen 2.833 N/A ALA 158.A N ARG 154.A O no hydrogen 3.071 N/A ASP 159.A N LEU 155.A O no hydrogen 2.958 N/A ALA 160.A N THR 156.A O no hydrogen 3.244 N/A LEU 161.A N ALA 158.A O no hydrogen 3.080 N/A GLU 162.A N LYS 239.A O no hydrogen 3.187 N/A VAL 164.A N CYS 237.A O no hydrogen 3.171 N/A PHE 166.A N LEU 235.A O no hydrogen 2.664 N/A GLY 169.A N ALA 231.A O no hydrogen 2.906 N/A GLN 170.A N GLU 167.A O no hydrogen 2.876 N/A ILE 172.A N VAL 229.A O no hydrogen 3.029 N/A GLN 175.A N THR 228.A OG1 no hydrogen 2.475 N/A GLY 176.A N ARG 225.A O no hydrogen 2.592 N/A GLU 177.A N VAL 174.A O no hydrogen 3.127 N/A PHE 182.A N LEU 240.A O no hydrogen 2.968 N/A PHE 183.A N PHE 214.A O no hydrogen 2.893 N/A ILE 184.A N VAL 238.A O no hydrogen 3.153 N/A ILE 185.A N ASP 212.A O no hydrogen 2.854 N/A LEU 186.A N LYS 236.A O no hydrogen 2.661 N/A GLU 187.A N LYS 236.A O no hydrogen 3.194 N/A SER 189.A OG LEU 208.A O no hydrogen 3.238 N/A ALA 190.A N LEU 208.A O no hydrogen 2.968 N/A ALA 191.A N VAL 230.A O no hydrogen 2.694 N/A VAL 192.A N GLY 206.A O no hydrogen 2.698 N/A LEU 193.A N THR 228.A O no hydrogen 2.714 N/A GLN 194.A N VAL 203.A O no hydrogen 3.291 N/A ARG 195.A N GLN 175.A OE1 no hydrogen 3.436 N/A GLU 200.A N GLU 198.A O no hydrogen 2.904 N/A VAL 203.A N GLN 194.A O no hydrogen 3.042 N/A VAL 205.A N VAL 192.A O no hydrogen 2.827 N/A GLY 206.A N VAL 192.A O no hydrogen 3.421 N/A LEU 208.A N ALA 190.A O no hydrogen 2.978 N/A GLY 209.A N ASP 212.A OD2 no hydrogen 2.809 N/A SER 211.A N ILE 185.A O no hydrogen 2.706 N/A ASP 212.A N GLY 209.A O no hydrogen 2.924 N/A PHE 214.A N PHE 183.A O no hydrogen 2.923 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.524 N/A ILE 217.A N GLU 216.A OE1 no hydrogen 3.146 N/A LEU 220.A N GLU 216.A O no hydrogen 2.896 N/A MET 221.A N ILE 217.A O no hydrogen 2.824 N/A ARG 223.A NH2 SER 268.A O no hydrogen 2.991 N/A ARG 225.A N GLU 177.A O no hydrogen 2.714 N/A ARG 225.A NH1 GLU 181.A O no hydrogen 3.346 N/A ARG 225.A NH1 GLY 215.A O no hydrogen 2.747 N/A ARG 225.A NH2 GLU 181.A O no hydrogen 2.792 N/A THR 228.A N LEU 193.A O no hydrogen 2.885 N/A VAL 229.A N VAL 173.A O no hydrogen 2.668 N/A VAL 230.A N ALA 191.A O no hydrogen 2.809 N/A ALA 231.A N GLN 170.A O no hydrogen 3.107 N/A ARG 232.A N SER 189.A O no hydrogen 3.023 N/A ARG 232.A NH2 GLU 204.A OE2 no hydrogen 2.966 N/A LEU 235.A N PHE 166.A O no hydrogen 3.080 N/A LYS 236.A N GLU 187.A O no hydrogen 2.803 N/A CYS 237.A N VAL 164.A O no hydrogen 2.733 N/A VAL 238.A N ILE 184.A O no hydrogen 3.071 N/A LYS 239.A N GLU 162.A O no hydrogen 2.892 N/A LYS 239.A NZ GLU 181.A OE2 no hydrogen 3.044 N/A ARG 242.A NH2 GLY 179.A O no hydrogen 3.304 N/A ARG 244.A N ASP 241.A OD1 no hydrogen 2.846 N/A ARG 244.A NH1 ALA 160.A O no hydrogen 2.937 N/A ARG 244.A NH1 LYS 239.A O no hydrogen 3.109 N/A PHE 245.A N ASP 241.A O no hydrogen 2.786 N/A GLU 246.A N ARG 242.A O no hydrogen 2.672 N/A ARG 247.A N PRO 243.A O no hydrogen 2.974 N/A VAL 248.A N ARG 244.A O no hydrogen 2.833 N/A LEU 249.A N PHE 245.A O no hydrogen 2.944 N/A CYS 252.A N LEU 249.A O no hydrogen 3.010 N/A CYS 252.A SG ILE 145.A O no hydrogen 3.480 N/A SER 253.A N GLY 250.A O no hydrogen 3.390 N/A SER 253.A OG GLY 250.A O no hydrogen 3.483 N/A SER 253.A OG ASP 254.A OD1 no hydrogen 3.562 N/A LEU 256.A N CYS 252.A O no hydrogen 2.813 N/A LYS 257.A N SER 253.A O no hydrogen 2.882 N/A ARG 258.A N ASP 254.A O no hydrogen 3.025 N/A ASN 259.A N ILE 255.A O no hydrogen 3.058 N/A ASN 259.A ND2 TYR 213.A OH no hydrogen 3.245 N/A ILE 260.A N LYS 257.A O no hydrogen 2.925 N/A GLN 261.A N ARG 258.A O no hydrogen 2.848 N/A GLN 262.A N ASN 259.A O no hydrogen 3.267 N/A TYR 263.A N ILE 260.A O no hydrogen 3.284 N/A TYR 263.A OH GLU 216.A OE2 no hydrogen 3.157 N/A SER 265.A OG GLN 194.A OE1 no hydrogen 2.852 N/A VAL 267.A N SER 265.A OG no hydrogen 3.038 N/A SER 268.A OG SER 268.A O no hydrogen 2.581 N/A