Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ns1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 15.A O no hydrogen 3.268 N/A ARG 5.A NE GLU 7.A OE2 no hydrogen 2.911 N/A PHE 6.A N TRP 13.A O no hydrogen 2.953 N/A GLY 8.A N VAL 11.A O no hydrogen 2.654 N/A THR 12.A N PRO 53.A O no hydrogen 3.138 N/A TRP 13.A N PHE 6.A O no hydrogen 3.012 N/A TRP 13.A NE1 GLN 15.A OE1 no hydrogen 2.921 N/A ILE 14.A N ILE 55.A O no hydrogen 2.966 N/A GLN 15.A N LEU 4.A O no hydrogen 3.047 N/A ALA 16.A N CYS 57.A O no hydrogen 3.146 N/A SER 17.A N GLU 21.A OE1 no hydrogen 2.826 N/A SER 17.A OG GLU 21.A OE1 no hydrogen 2.662 N/A LEU 22.A N THR 18.A O no hydrogen 3.105 N/A LEU 23.A N LEU 19.A O no hydrogen 3.022 N/A ASP 24.A N LYS 20.A O no hydrogen 3.075 N/A LEU 25.A N GLU 21.A O no hydrogen 3.021 N/A LYS 26.A N LEU 22.A O no hydrogen 2.836 N/A LYS 26.A NZ PRO 30.A O no hydrogen 2.809 N/A LYS 26.A NZ PRO 177.A O no hydrogen 2.713 N/A ALA 27.A N LEU 23.A O no hydrogen 3.128 N/A ALA 27.A N ASP 24.A O no hydrogen 3.096 N/A GLN 28.A N ASP 24.A O no hydrogen 2.927 N/A HIS 29.A N LEU 25.A O no hydrogen 2.863 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.563 N/A ALA 32.A N HIS 29.A O no hydrogen 3.188 N/A LYS 33.A N MET 54.A O no hydrogen 2.842 N/A VAL 35.A N ILE 56.A O no hydrogen 2.898 N/A GLY 42.A N ASN 38.A O no hydrogen 2.962 N/A GLU 44.A N GLU 40.A O no hydrogen 3.053 N/A MET 45.A N ILE 41.A O no hydrogen 2.963 N/A LYS 46.A N GLY 42.A O no hydrogen 3.139 N/A PHE 47.A N ILE 43.A O no hydrogen 2.974 N/A GLN 50.A N GLU 44.A O no hydrogen 2.989 N/A ILE 55.A N THR 12.A O no hydrogen 2.960 N/A ILE 56.A N LYS 33.A O no hydrogen 2.765 N/A CYS 57.A N ILE 14.A O no hydrogen 2.818 N/A CYS 57.A SG GLN 15.A OE1 no hydrogen 3.568 N/A CYS 57.A SG VAL 35.A O no hydrogen 3.322 N/A ILE 61.A N PRO 58.A O no hydrogen 3.133 N/A ASN 65.A ND2 ALA 59.A O no hydrogen 2.767 N/A ASN 65.A ND2 ILE 61.A O no hydrogen 2.953 N/A GLU 68.A N SER 75.A O no hydrogen 2.984 N/A ILE 74.A N ILE 186.A O no hydrogen 2.909 N/A SER 75.A N GLU 68.A O no hydrogen 2.959 N/A PHE 76.A N ILE 184.A O no hydrogen 2.837 N/A GLY 77.A N ALA 66.A O no hydrogen 2.693 N/A ALA 78.A N LEU 182.A O no hydrogen 3.167 N/A ALA 79.A N LEU 64.A O no hydrogen 2.884 N/A CYS 80.A N GLY 77.A O no hydrogen 3.206 N/A CYS 80.A SG ALA 66.A O no hydrogen 3.992 N/A CYS 80.A SG GLY 77.A O no hydrogen 3.228 N/A LEU 82.A N ALA 123.A O no hydrogen 2.794 N/A SER 83.A N LYS 120.A O no hydrogen 2.862 N/A SER 83.A OG LYS 120.A O no hydrogen 3.347 N/A VAL 85.A N ALA 81.A O no hydrogen 3.238 N/A GLU 86.A N LEU 82.A O no hydrogen 2.952 N/A LYS 87.A N SER 83.A O no hydrogen 2.800 N/A THR 88.A N SER 84.A O no hydrogen 2.939 N/A THR 88.A OG1 SER 84.A O no hydrogen 2.975 N/A LEU 89.A N VAL 85.A O no hydrogen 2.856 N/A LEU 90.A N GLU 86.A O no hydrogen 2.874 N/A GLU 91.A N LYS 87.A O no hydrogen 3.263 N/A ALA 92.A N THR 88.A O no hydrogen 3.033 N/A VAL 93.A N LEU 89.A O no hydrogen 3.122 N/A ALA 94.A N LEU 90.A O no hydrogen 3.092 N/A ALA 94.A N GLU 91.A O no hydrogen 3.188 N/A LYS 95.A N ALA 92.A O no hydrogen 3.205 N/A LEU 96.A N ALA 92.A O no hydrogen 2.928 N/A GLN 99.A NE2 ARG 190.A O no hydrogen 2.696 N/A GLN 99.A NE2 GLU 193.A O no hydrogen 3.147 N/A LYS 100.A N PRO 97.A O no hydrogen 3.173 N/A THR 101.A N THR 98.A O no hydrogen 3.080 N/A THR 101.A OG1 THR 98.A O no hydrogen 3.407 N/A GLU 102.A N SER 189.A OG no hydrogen 3.123 N/A ARG 105.A N THR 101.A O no hydrogen 2.950 N/A ARG 105.A NE THR 101.A OG1 no hydrogen 3.258 N/A ARG 105.A NH1 GLU 102.A OE2 no hydrogen 3.206 N/A ARG 105.A NH2 THR 101.A OG1 no hydrogen 3.232 N/A ARG 105.A NH2 GLU 102.A OE2 no hydrogen 2.866 N/A GLY 106.A N GLU 102.A O no hydrogen 3.280 N/A VAL 107.A N VAL 103.A O no hydrogen 3.101 N/A LEU 108.A N PHE 104.A O no hydrogen 3.088 N/A GLU 109.A N ARG 105.A O no hydrogen 3.077 N/A GLN 110.A N GLY 106.A O no hydrogen 3.096 N/A GLN 110.A NE2 ASP 137.A O no hydrogen 3.339 N/A GLN 110.A NE2 PHE 198.A O no hydrogen 3.281 N/A LEU 111.A N VAL 107.A O no hydrogen 3.022 N/A ARG 112.A N GLU 109.A O no hydrogen 3.240 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.674 N/A LYS 120.A N GLY 116.A O no hydrogen 3.156 N/A LYS 120.A NZ GLU 86.A OE1 no hydrogen 2.625 N/A LYS 120.A NZ LEU 111.A O no hydrogen 3.036 N/A SER 121.A N LYS 117.A O no hydrogen 2.991 N/A SER 121.A OG LYS 117.A O no hydrogen 3.419 N/A VAL 122.A N VAL 119.A O no hydrogen 3.140 N/A ALA 123.A N VAL 119.A O no hydrogen 2.906 N/A LEU 125.A N CYS 80.A O no hydrogen 3.020 N/A GLY 126.A N ALA 78.A O no hydrogen 2.780 N/A GLY 127.A N SER 124.A OG no hydrogen 2.981 N/A ASN 128.A N SER 124.A O no hydrogen 3.256 N/A ASN 128.A ND2 SER 136.A OG no hydrogen 2.814 N/A ILE 129.A N LEU 125.A O no hydrogen 3.174 N/A ILE 130.A N GLY 126.A O no hydrogen 2.887 N/A THR 131.A N GLY 127.A O no hydrogen 3.046 N/A THR 131.A OG1 GLY 127.A O no hydrogen 2.847 N/A ILE 135.A N SER 133.A OG no hydrogen 3.278 N/A SER 136.A N SER 133.A O no hydrogen 3.263 N/A ASN 139.A N SER 136.A OG no hydrogen 3.225 N/A ASN 139.A ND2 ILE 129.A O no hydrogen 3.318 N/A PHE 142.A N LEU 138.A O no hydrogen 3.010 N/A MET 143.A N ASN 139.A O no hydrogen 2.930 N/A ALA 144.A N PRO 140.A O no hydrogen 3.200 N/A SER 145.A N VAL 141.A O no hydrogen 3.207 N/A SER 145.A OG VAL 141.A O no hydrogen 2.817 N/A SER 145.A OG PHE 142.A O no hydrogen 3.224 N/A SER 145.A OG THR 147.A OG1 no hydrogen 3.151 N/A GLY 146.A N MET 143.A O no hydrogen 3.143 N/A THR 147.A N PHE 142.A O no hydrogen 3.084 N/A THR 147.A OG1 SER 145.A OG no hydrogen 3.151 N/A LYS 148.A N GLU 185.A O no hydrogen 3.118 N/A LEU 149.A N VAL 160.A O no hydrogen 2.988 N/A THR 150.A N SER 183.A O no hydrogen 2.791 N/A THR 150.A OG1 THR 159.A OG1 no hydrogen 3.132 N/A ILE 151.A N ARG 158.A O no hydrogen 3.006 N/A VAL 152.A N ILE 180.A O no hydrogen 3.148 N/A SER 153.A N THR 156.A O no hydrogen 3.083 N/A SER 153.A OG THR 156.A OG1 no hydrogen 2.567 N/A ARG 154.A NH1 ASP 24.A OD1 no hydrogen 3.074 N/A THR 156.A OG1 SER 153.A OG no hydrogen 2.567 N/A ARG 158.A N ILE 151.A O no hydrogen 2.945 N/A ARG 158.A NE GLU 179.A OE2 no hydrogen 3.255 N/A ARG 158.A NH2 LEU 174.A O no hydrogen 3.209 N/A ARG 158.A NH2 GLU 179.A OE1 no hydrogen 2.920 N/A ARG 158.A NH2 GLU 179.A OE2 no hydrogen 3.526 N/A THR 159.A OG1 THR 150.A OG1 no hydrogen 3.132 N/A VAL 160.A N LEU 149.A O no hydrogen 3.194 N/A MET 162.A N THR 147.A O no hydrogen 3.162 N/A THR 165.A N ASP 163.A OD1 no hydrogen 2.984 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.857 N/A PHE 166.A N ASP 163.A O no hydrogen 3.069 N/A TYR 170.A OH ASP 207.A OD2 no hydrogen 3.076 N/A ARG 171.A NE ASP 207.A OD2 no hydrogen 2.931 N/A ARG 171.A NH1 GLU 40.A OE2 no hydrogen 3.312 N/A ARG 171.A NH2 ASP 207.A OD2 no hydrogen 2.949 N/A LYS 172.A N SER 169.A O no hydrogen 3.068 N/A LEU 174.A N PHE 166.A O no hydrogen 2.841 N/A LEU 175.A N THR 173.A O no hydrogen 2.799 N/A GLY 176.A N GLU 179.A OE1 no hydrogen 2.634 N/A GLU 179.A N GLY 176.A O no hydrogen 3.349 N/A ILE 180.A N VAL 152.A O no hydrogen 3.058 N/A LEU 182.A N THR 150.A O no hydrogen 2.788 N/A SER 183.A N THR 150.A O no hydrogen 3.383 N/A ILE 184.A N PHE 76.A O no hydrogen 3.116 N/A GLU 185.A N LYS 148.A O no hydrogen 2.900 N/A ILE 186.A N ILE 74.A O no hydrogen 2.794 N/A TYR 188.A N GLU 72.A O no hydrogen 3.113 N/A SER 189.A N LYS 100.A O no hydrogen 2.965 N/A SER 189.A OG GLN 99.A O no hydrogen 2.992 N/A ARG 190.A N GLU 193.A OE2 no hydrogen 2.850 N/A ARG 190.A NE GLU 193.A OE2 no hydrogen 3.004 N/A ARG 190.A NH2 GLU 193.A OE1 no hydrogen 3.363 N/A ARG 190.A NH2 GLU 228.A OE1 no hydrogen 3.543 N/A PHE 194.A N VAL 217.A O no hydrogen 3.032 N/A PHE 195.A N GLU 102.A OE1 no hydrogen 3.025 N/A SER 196.A N MET 215.A O no hydrogen 3.054 N/A PHE 198.A N CYS 213.A O no hydrogen 3.203 N/A LYS 199.A NZ GLN 110.A O no hydrogen 2.603 N/A GLN 200.A N VAL 211.A O no hydrogen 2.717 N/A ARG 203.A NE GLU 205.A O no hydrogen 2.861 N/A ARG 203.A NE ASP 206.A O no hydrogen 3.363 N/A ARG 203.A NH2 ASP 206.A O no hydrogen 3.191 N/A ARG 204.A NH1 GLY 279.A O no hydrogen 3.216 N/A LYS 210.A NZ ASP 137.A OD1 no hydrogen 2.860 N/A VAL 211.A N GLN 200.A OE1 no hydrogen 2.881 N/A THR 212.A N GLY 234.A O no hydrogen 3.376 N/A THR 212.A OG1 ASP 137.A OD1 no hydrogen 2.595 N/A THR 212.A OG1 PHE 198.A O no hydrogen 3.475 N/A CYS 213.A N PHE 198.A O no hydrogen 2.897 N/A CYS 213.A SG PHE 198.A O no hydrogen 3.854 N/A GLY 214.A N CYS 232.A O no hydrogen 3.003 N/A MET 215.A N SER 196.A O no hydrogen 2.989 N/A ARG 216.A N ALA 230.A O no hydrogen 2.867 N/A ARG 216.A NH1 ALA 144.A O no hydrogen 3.442 N/A VAL 217.A N PHE 194.A O no hydrogen 3.175 N/A LEU 218.A N GLU 228.A O no hydrogen 2.931 N/A PHE 219.A N ASP 192.A O no hydrogen 2.855 N/A GLN 220.A N GLN 225.A O no hydrogen 3.002 N/A GLY 222.A N ASP 192.A OD1 no hydrogen 3.218 N/A SER 223.A N GLN 220.A O no hydrogen 3.011 N/A SER 223.A OG GLN 220.A O no hydrogen 3.147 N/A GLN 225.A N SER 223.A OG no hydrogen 2.991 N/A GLN 225.A NE2 SER 252.A O no hydrogen 3.019 N/A VAL 226.A N LYS 253.A O no hydrogen 3.074 N/A LYS 227.A N LEU 218.A O no hydrogen 2.711 N/A GLU 228.A N LEU 218.A O no hydrogen 3.313 N/A ALA 230.A N ARG 216.A O no hydrogen 2.932 N/A CYS 232.A N GLY 214.A O no hydrogen 2.979 N/A CYS 232.A SG SER 242.A OG no hydrogen 3.685 N/A TYR 233.A N ILE 241.A O no hydrogen 2.834 N/A TYR 233.A OH THR 289.A O no hydrogen 3.089 N/A GLY 234.A N THR 212.A O no hydrogen 2.738 N/A GLY 235.A N PRO 134.A O no hydrogen 2.936 N/A ARG 239.A NH1 PHE 167.A O no hydrogen 2.798 N/A ILE 241.A N TYR 233.A O no hydrogen 3.045 N/A ALA 243.A N LEU 231.A O no hydrogen 3.081 N/A LYS 245.A N GLU 270.A OE2 no hydrogen 3.192 N/A THR 246.A N GLU 270.A OE1 no hydrogen 2.774 N/A THR 246.A OG1 GLU 270.A OE1 no hydrogen 2.719 N/A THR 247.A N ALA 243.A O no hydrogen 3.038 N/A THR 247.A OG1 LEU 229.A O no hydrogen 3.551 N/A THR 247.A OG1 ALA 243.A O no hydrogen 3.207 N/A THR 247.A OG1 LEU 244.A O no hydrogen 3.508 N/A GLN 248.A N LEU 244.A O no hydrogen 2.833 N/A GLN 250.A N THR 247.A O no hydrogen 3.108 N/A LEU 251.A N GLN 248.A O no hydrogen 3.338 N/A SER 252.A N VAL 226.A O no hydrogen 3.128 N/A LYS 253.A N GLN 250.A O no hydrogen 2.947 N/A TRP 255.A N MET 224.A O no hydrogen 3.176 N/A TRP 255.A NE1 TYR 297.A O no hydrogen 3.255 N/A LEU 259.A N ASN 256.A O no hydrogen 2.734 N/A LEU 259.A N ASN 256.A OD1 no hydrogen 3.404 N/A LEU 260.A N ASN 256.A O no hydrogen 3.091 N/A GLN 261.A N GLU 257.A O no hydrogen 3.066 N/A ASP 262.A N LYS 258.A O no hydrogen 3.231 N/A VAL 263.A N LEU 259.A O no hydrogen 3.085 N/A CYS 264.A N LEU 260.A O no hydrogen 3.367 N/A CYS 264.A SG LEU 260.A O no hydrogen 3.374 N/A ALA 265.A N GLN 261.A O no hydrogen 3.133 N/A GLY 266.A N ASP 262.A O no hydrogen 2.801 N/A LEU 267.A N VAL 263.A O no hydrogen 2.716 N/A ALA 268.A N CYS 264.A O no hydrogen 2.901 N/A GLU 269.A N ALA 265.A O no hydrogen 3.268 N/A GLU 270.A N GLY 266.A O no hydrogen 2.819 N/A LEU 271.A N LEU 267.A O no hydrogen 2.955 N/A SER 274.A OG ASP 276.A OD1 no hydrogen 2.815 N/A ASP 276.A N ASP 276.A OD1 no hydrogen 2.574 N/A ALA 277.A N SER 274.A O no hydrogen 2.912 N/A GLY 280.A N ALA 277.A O no hydrogen 3.306 N/A ARG 285.A N MET 281.A O no hydrogen 2.989 N/A ARG 285.A NE GLY 280.A O no hydrogen 3.006 N/A ARG 285.A NH1 GLY 235.A O no hydrogen 2.854 N/A ARG 285.A NH2 PRO 278.A O no hydrogen 3.268 N/A ARG 285.A NH2 GLY 280.A O no hydrogen 2.842 N/A ARG 286.A N ILE 282.A O no hydrogen 3.455 N/A THR 287.A N GLU 283.A O no hydrogen 2.799 N/A THR 287.A OG1 GLU 283.A O no hydrogen 3.350 N/A LEU 288.A N PHE 284.A O no hydrogen 2.815 N/A THR 289.A N ARG 285.A O no hydrogen 3.114 N/A THR 289.A OG1 ARG 286.A O no hydrogen 2.767 N/A LEU 290.A N ARG 286.A O no hydrogen 3.330 N/A SER 291.A N THR 287.A O no hydrogen 2.908 N/A SER 291.A OG THR 287.A O no hydrogen 2.840 N/A PHE 292.A N LEU 288.A O no hydrogen 2.758 N/A PHE 294.A N LEU 290.A O no hydrogen 2.922 N/A LYS 295.A N SER 291.A O no hydrogen 3.037 N/A PHE 296.A N PHE 292.A O no hydrogen 3.076 N/A TYR 297.A N PHE 293.A O no hydrogen 2.784 N/A LEU 298.A N PHE 294.A O no hydrogen 3.069 N/A THR 299.A N LYS 295.A O no hydrogen 2.843 N/A THR 299.A OG1 LYS 295.A O no hydrogen 2.958 N/A VAL 300.A N PHE 296.A O no hydrogen 2.933 N/A LEU 301.A N TYR 297.A O no hydrogen 3.287 N/A LYS 302.A N LEU 298.A O no hydrogen 3.021 N/A LYS 303.A N THR 299.A O no hydrogen 3.127 N/A LYS 303.A N VAL 300.A O no hydrogen 2.987 N/A LYS 303.A NZ GLU 102.A OE1 no hydrogen 2.885 N/A LEU 304.A N LEU 301.A O no hydrogen 2.988 N/A