Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lee_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 95.A OE2 no hydrogen 3.522 N/A SER 3.A OG GLU 95.A OE2 no hydrogen 2.917 N/A LYS 5.A N SER 1.A O no hydrogen 3.218 N/A THR 6.A N SER 2.A O no hydrogen 3.207 N/A THR 6.A OG1 SER 2.A O no hydrogen 2.743 N/A CYS 7.A N SER 3.A O no hydrogen 2.994 N/A CYS 7.A SG SER 3.A O no hydrogen 3.322 N/A TYR 8.A N LEU 4.A O no hydrogen 3.015 N/A LYS 9.A N LYS 5.A O no hydrogen 2.907 N/A TYR 10.A N THR 6.A O no hydrogen 2.808 N/A TYR 10.A OH ASP 88.A OD1 no hydrogen 2.603 N/A LEU 11.A N CYS 7.A O no hydrogen 2.880 N/A ASN 12.A N TYR 8.A O no hydrogen 3.135 N/A ASN 12.A ND2 TYR 8.A O no hydrogen 3.026 N/A ASN 12.A ND2 GLN 23.A OE1 no hydrogen 2.857 N/A GLN 13.A N LYS 9.A O no hydrogen 3.003 N/A THR 14.A N TYR 10.A O no hydrogen 3.017 N/A THR 14.A OG1 TYR 10.A O no hydrogen 3.181 N/A THR 14.A OG1 TYR 37.A OH no hydrogen 3.332 N/A SER 15.A N LEU 11.A O no hydrogen 2.986 N/A ALA 19.A N SER 15.A OG no hydrogen 3.331 N/A ILE 22.A N PHE 18.A O no hydrogen 3.030 N/A GLN 23.A N ALA 19.A O no hydrogen 3.115 N/A LEU 25.A N ILE 22.A O no hydrogen 2.875 N/A ASP 26.A N SER 248.A OG no hydrogen 3.095 N/A ARG 30.A NE GLN 23.A O no hydrogen 2.879 N/A ALA 32.A N GLU 28.A O no hydrogen 3.090 N/A VAL 33.A N MET 29.A O no hydrogen 2.698 N/A CYS 34.A N ARG 30.A O no hydrogen 2.845 N/A CYS 34.A SG CYS 7.A O no hydrogen 4.016 N/A ILE 35.A N ASN 31.A O no hydrogen 2.882 N/A PHE 36.A N ALA 32.A O no hydrogen 2.913 N/A TYR 37.A N VAL 33.A O no hydrogen 3.246 N/A TYR 37.A OH THR 14.A OG1 no hydrogen 3.332 N/A LEU 38.A N CYS 34.A O no hydrogen 3.119 N/A VAL 39.A N ILE 35.A O no hydrogen 2.917 N/A LEU 40.A N PHE 36.A O no hydrogen 3.176 N/A ARG 41.A N TYR 37.A O no hydrogen 2.811 N/A ARG 41.A NH2 TYR 37.A OH no hydrogen 3.543 N/A ALA 42.A N LEU 38.A O no hydrogen 2.922 N/A LEU 43.A N VAL 39.A O no hydrogen 2.945 N/A ASP 44.A N LEU 40.A O no hydrogen 2.862 N/A THR 45.A N ARG 41.A O no hydrogen 2.976 N/A THR 45.A OG1 ARG 41.A O no hydrogen 2.790 N/A LEU 46.A N ALA 42.A O no hydrogen 3.269 N/A GLU 47.A N LEU 43.A O no hydrogen 3.100 N/A ASP 48.A N ASP 44.A O no hydrogen 2.835 N/A ASP 49.A N LEU 46.A O no hydrogen 3.122 N/A THR 51.A N ASP 49.A OD1 no hydrogen 3.182 N/A THR 51.A OG1 ASP 49.A OD1 no hydrogen 3.120 N/A THR 51.A OG1 ASP 49.A OD2 no hydrogen 3.569 N/A ILE 52.A N ASP 49.A O no hydrogen 3.302 N/A SER 53.A OG GLU 55.A OE1 no hydrogen 3.465 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 3.327 N/A LYS 56.A N SER 53.A O no hydrogen 3.034 N/A LYS 57.A N SER 53.A O no hydrogen 2.841 N/A LYS 57.A N VAL 54.A O no hydrogen 3.065 N/A LYS 57.A NZ LEU 46.A O no hydrogen 3.218 N/A LYS 57.A NZ GLU 47.A O no hydrogen 2.957 N/A LYS 57.A NZ ASP 49.A O no hydrogen 2.768 N/A VAL 58.A N VAL 54.A O no hydrogen 2.870 N/A LEU 61.A N LYS 57.A O no hydrogen 2.909 N/A HIS 62.A N VAL 58.A O no hydrogen 2.919 N/A ASN 63.A N PRO 59.A O no hydrogen 2.893 N/A PHE 64.A N LEU 61.A O no hydrogen 3.404 N/A SER 66.A N ASN 63.A O no hydrogen 2.899 N/A SER 66.A OG ASN 63.A O no hydrogen 2.479 N/A PHE 67.A N PHE 64.A O no hydrogen 2.644 N/A LEU 68.A N HIS 65.A O no hydrogen 3.147 N/A TYR 69.A N SER 66.A O no hydrogen 3.065 N/A GLN 70.A N PHE 67.A O no hydrogen 3.107 N/A TRP 73.A N GLN 70.A O no hydrogen 3.164 N/A PHE 75.A N LEU 86.A O no hydrogen 3.106 N/A SER 78.A OG ASP 49.A OD2 no hydrogen 2.857 N/A LYS 79.A N ASP 49.A OD2 no hydrogen 2.957 N/A ARG 83.A NH1 GLU 87.A OE1 no hydrogen 3.322 N/A ARG 83.A NH1 GLU 87.A OE2 no hydrogen 3.189 N/A GLU 87.A N ARG 83.A O no hydrogen 3.126 N/A ASP 88.A N GLN 84.A O no hydrogen 2.859 N/A PHE 89.A N LEU 86.A O no hydrogen 3.267 N/A THR 91.A OG1 ASP 88.A OD1 no hydrogen 3.375 N/A THR 91.A OG1 ASP 88.A OD2 no hydrogen 3.371 N/A SER 93.A N PHE 89.A O no hydrogen 2.995 N/A SER 93.A OG PRO 90.A O no hydrogen 3.174 N/A LEU 94.A N THR 91.A O no hydrogen 3.092 N/A GLU 95.A N THR 91.A O no hydrogen 3.105 N/A PHE 96.A N ILE 92.A O no hydrogen 2.821 N/A ARG 97.A N SER 93.A O no hydrogen 3.228 N/A ARG 97.A NH1 LEU 68.A O no hydrogen 2.746 N/A ARG 97.A NH1 SER 93.A OG no hydrogen 3.269 N/A ASN 98.A N LEU 94.A O no hydrogen 3.093 N/A LEU 99.A N GLU 95.A O no hydrogen 3.016 N/A LYS 102.A NZ ALA 153.A O no hydrogen 3.173 N/A TYR 103.A N ALA 100.A O no hydrogen 2.736 N/A TYR 103.A OH GLU 28.A OE2 no hydrogen 2.434 N/A GLN 104.A N ALA 100.A O no hydrogen 3.130 N/A GLN 104.A NE2 LEU 99.A O no hydrogen 2.697 N/A THR 105.A N GLU 101.A O no hydrogen 3.091 N/A THR 105.A OG1 GLU 101.A O no hydrogen 3.179 N/A ILE 107.A N TYR 103.A O no hydrogen 3.092 N/A ALA 108.A N GLN 104.A O no hydrogen 2.893 N/A ASP 109.A N THR 105.A O no hydrogen 2.995 N/A ILE 110.A N VAL 106.A O no hydrogen 3.000 N/A CYS 111.A N ILE 107.A O no hydrogen 2.786 N/A ARG 112.A N ALA 108.A O no hydrogen 3.054 N/A ARG 112.A NH2 ASP 109.A OD2 no hydrogen 3.025 N/A ARG 113.A N ASP 109.A O no hydrogen 3.092 N/A ARG 113.A NH1 ASP 109.A OD1 no hydrogen 3.133 N/A MET 114.A N ILE 110.A O no hydrogen 2.963 N/A GLY 115.A N CYS 111.A O no hydrogen 3.138 N/A ILE 116.A N ARG 112.A O no hydrogen 3.487 N/A GLY 117.A N MET 114.A O no hydrogen 2.796 N/A MET 118.A N MET 114.A O no hydrogen 2.706 N/A ALA 119.A N GLY 115.A O no hydrogen 3.238 N/A GLU 120.A N GLY 117.A O no hydrogen 3.319 N/A PHE 121.A N MET 118.A O no hydrogen 2.920 N/A LYS 124.A NZ GLU 120.A OE2 no hydrogen 3.136 N/A LYS 124.A NZ GLU 131.A OE2 no hydrogen 3.379 N/A THR 127.A N GLU 131.A OE1 no hydrogen 3.281 N/A THR 127.A OG1 GLU 131.A OE1 no hydrogen 2.611 N/A GLU 131.A N SER 128.A OG no hydrogen 3.272 N/A TRP 132.A N SER 128.A O no hydrogen 3.246 N/A ASP 133.A N GLU 129.A O no hydrogen 3.075 N/A LYS 134.A N GLN 130.A O no hydrogen 3.067 N/A TYR 135.A N GLU 131.A O no hydrogen 2.605 N/A TYR 135.A OH GLU 47.A OE2 no hydrogen 3.323 N/A CYS 136.A N TRP 132.A O no hydrogen 2.853 N/A CYS 136.A SG TRP 132.A O no hydrogen 3.210 N/A HIS 137.A N ASP 133.A O no hydrogen 2.481 N/A HIS 137.A ND1 ASN 169.A OD1 no hydrogen 2.838 N/A TYR 138.A N LYS 134.A O no hydrogen 3.037 N/A TYR 138.A OH GLU 120.A OE1 no hydrogen 2.879 N/A VAL 139.A N TYR 135.A O no hydrogen 3.188 N/A ALA 140.A N CYS 136.A O no hydrogen 2.945 N/A GLY 141.A N CYS 136.A O no hydrogen 2.982 N/A LEU 142.A N HIS 137.A O no hydrogen 2.900 N/A GLY 144.A N ALA 140.A O no hydrogen 3.051 N/A ILE 145.A N GLY 141.A O no hydrogen 2.678 N/A GLY 146.A N LEU 142.A O no hydrogen 2.589 N/A LEU 147.A N VAL 143.A O no hydrogen 2.783 N/A SER 148.A OG ILE 145.A O no hydrogen 3.088 N/A SER 148.A OG VAL 161.A O no hydrogen 3.460 N/A ARG 149.A N ILE 145.A O no hydrogen 3.293 N/A ARG 149.A N GLY 146.A O no hydrogen 3.033 N/A ARG 149.A NH2 ASP 109.A OD1 no hydrogen 2.789 N/A LEU 150.A N GLY 146.A O no hydrogen 3.000 N/A PHE 151.A N LEU 147.A O no hydrogen 2.866 N/A SER 152.A N SER 148.A O no hydrogen 3.293 N/A SER 152.A OG SER 148.A O no hydrogen 3.067 N/A SER 152.A OG ASP 158.A O no hydrogen 2.850 N/A ALA 153.A N ARG 149.A O no hydrogen 3.041 N/A SER 154.A N LEU 150.A O no hydrogen 2.917 N/A SER 154.A OG PHE 151.A O no hydrogen 2.503 N/A GLU 155.A N SER 152.A O no hydrogen 2.961 N/A PHE 156.A N SER 154.A OG no hydrogen 3.016 N/A GLU 157.A N PHE 151.A O no hydrogen 3.281 N/A LEU 160.A N ASP 158.A OD2 no hydrogen 3.263 N/A VAL 161.A N ASP 158.A O no hydrogen 2.994 N/A GLU 163.A N PRO 159.A O no hydrogen 3.143 N/A ARG 167.A N ASP 164.A OD1 no hydrogen 3.448 N/A ARG 167.A NH1 ASP 164.A OD1 no hydrogen 3.004 N/A ARG 167.A NH1 ASP 164.A OD2 no hydrogen 3.125 N/A ALA 168.A N ASP 164.A O no hydrogen 3.216 N/A ASN 169.A N THR 165.A O no hydrogen 2.697 N/A SER 170.A N GLU 166.A O no hydrogen 3.228 N/A SER 170.A OG GLU 166.A O no hydrogen 3.508 N/A MET 171.A N ARG 167.A O no hydrogen 2.944 N/A GLY 172.A N ASN 169.A O no hydrogen 2.927 N/A LEU 173.A N ASN 169.A O no hydrogen 2.913 N/A PHE 174.A N SER 170.A O no hydrogen 2.870 N/A LEU 175.A N MET 171.A O no hydrogen 3.317 N/A GLN 176.A N GLY 172.A O no hydrogen 2.752 N/A LYS 177.A N LEU 173.A O no hydrogen 2.894 N/A LYS 177.A NZ ASP 133.A OD2 no hydrogen 3.043 N/A LYS 177.A NZ ASN 229.A OD1 no hydrogen 2.967 N/A THR 178.A N PHE 174.A O no hydrogen 3.117 N/A ASN 179.A N LEU 175.A O no hydrogen 3.228 N/A ASN 179.A ND2 LEU 175.A O no hydrogen 2.650 N/A ILE 180.A N GLN 176.A O no hydrogen 2.887 N/A ILE 181.A N LYS 177.A O no hydrogen 2.896 N/A ARG 182.A N THR 178.A O no hydrogen 2.852 N/A ASP 183.A N ASN 179.A O no hydrogen 2.842 N/A TYR 184.A N ILE 181.A O no hydrogen 3.251 N/A TYR 184.A OH LEU 207.A O no hydrogen 2.749 N/A ASP 187.A N ASP 183.A O no hydrogen 2.783 N/A GLN 188.A N TYR 184.A O no hydrogen 3.237 N/A GLN 188.A N LEU 185.A O no hydrogen 3.054 N/A GLN 189.A N LEU 185.A O no hydrogen 2.974 N/A GLY 190.A N GLU 186.A O no hydrogen 3.133 N/A ARG 192.A N ASP 187.A O no hydrogen 2.587 N/A TRP 195.A NE1 ILE 180.A O no hydrogen 3.265 N/A GLN 197.A N VAL 126.A O no hydrogen 3.053 N/A GLU 198.A N THR 127.A O no hydrogen 2.753 N/A VAL 199.A N PRO 196.A O no hydrogen 2.630 N/A TRP 200.A N PRO 196.A O no hydrogen 2.989 N/A SER 201.A N GLN 197.A O no hydrogen 2.669 N/A ARG 202.A N VAL 199.A O no hydrogen 3.298 N/A ARG 202.A NH2 GLU 225.A OE2 no hydrogen 3.012 N/A TYR 203.A N TRP 200.A O no hydrogen 3.049 N/A TYR 203.A OH GLU 225.A OE1 no hydrogen 3.136 N/A VAL 204.A N TRP 200.A O no hydrogen 3.149 N/A LYS 205.A NZ ASP 209.A OD2 no hydrogen 3.392 N/A LYS 206.A NZ ASP 209.A OD1 no hydrogen 2.844 N/A ASP 209.A N LYS 206.A O no hydrogen 3.118 N/A PHE 210.A N LEU 207.A O no hydrogen 3.272 N/A ALA 211.A N GLY 208.A O no hydrogen 2.903 N/A ASN 215.A N LYS 212.A O no hydrogen 3.304 N/A ASN 215.A ND2 ASP 209.A O no hydrogen 2.558 N/A ALA 219.A N ASN 215.A O no hydrogen 3.059 N/A VAL 220.A N ILE 216.A O no hydrogen 2.982 N/A CYS 222.A N LEU 218.A O no hydrogen 3.118 N/A LEU 223.A N ALA 219.A O no hydrogen 2.899 N/A ASN 224.A N VAL 220.A O no hydrogen 2.880 N/A ASN 224.A ND2 ASN 269.A OD1 no hydrogen 3.368 N/A ASN 224.A ND2 ASP 307.A OD1 no hydrogen 2.788 N/A GLU 225.A N GLN 221.A O no hydrogen 3.206 N/A LEU 226.A N CYS 222.A O no hydrogen 3.135 N/A ILE 227.A N LEU 223.A O no hydrogen 3.015 N/A THR 228.A N ASN 224.A O no hydrogen 2.841 N/A THR 228.A OG1 ASN 224.A O no hydrogen 2.605 N/A THR 228.A OG1 THR 313.A OG1 no hydrogen 2.828 N/A ASN 229.A N GLU 225.A O no hydrogen 3.045 N/A ASN 229.A ND2 GLU 129.A OE2 no hydrogen 3.200 N/A ALA 230.A N LEU 226.A O no hydrogen 2.870 N/A LEU 231.A N ILE 227.A O no hydrogen 2.870 N/A HIS 232.A N ASN 229.A O no hydrogen 3.128 N/A HIS 232.A ND1 THR 228.A O no hydrogen 2.860 N/A HIS 233.A N ALA 230.A O no hydrogen 3.274 N/A ILE 234.A N LEU 231.A O no hydrogen 3.127 N/A VAL 237.A N HIS 233.A O no hydrogen 3.055 N/A ILE 238.A N ILE 234.A O no hydrogen 3.056 N/A THR 239.A N PRO 235.A O no hydrogen 2.911 N/A THR 239.A OG1 PRO 235.A O no hydrogen 2.955 N/A TYR 240.A N ASP 236.A O no hydrogen 2.895 N/A TYR 240.A N VAL 237.A O no hydrogen 2.845 N/A LEU 241.A N VAL 237.A O no hydrogen 3.152 N/A SER 242.A N ILE 238.A O no hydrogen 3.220 N/A SER 242.A OG ILE 238.A O no hydrogen 2.714 N/A ARG 243.A N TYR 240.A O no hydrogen 3.448 N/A LEU 244.A N LEU 241.A O no hydrogen 2.948 N/A ARG 245.A N GLU 157.A OE1 no hydrogen 3.217 N/A ARG 245.A N GLU 157.A OE2 no hydrogen 3.265 N/A ARG 245.A NH1 SER 242.A O no hydrogen 3.474 N/A ASN 246.A N GLU 157.A OE2 no hydrogen 3.131 N/A ASN 246.A ND2 ASP 26.A OD2 no hydrogen 3.190 N/A GLN 247.A NE2 ASN 251.A OD1 no hydrogen 2.983 N/A SER 248.A OG ASN 246.A OD1 no hydrogen 2.485 N/A VAL 249.A N ASN 246.A OD1 no hydrogen 3.151 N/A PHE 250.A N ASN 246.A O no hydrogen 2.699 N/A ASN 251.A N GLN 247.A O no hydrogen 2.948 N/A PHE 252.A N SER 248.A O no hydrogen 3.198 N/A CYS 253.A N VAL 249.A O no hydrogen 3.104 N/A CYS 253.A N PHE 250.A O no hydrogen 3.100 N/A CYS 253.A SG VAL 249.A O no hydrogen 3.444 N/A ALA 254.A N PHE 250.A O no hydrogen 2.759 N/A ILE 255.A N ASN 251.A O no hydrogen 3.218 N/A GLN 257.A NE2 MET 171.A O no hydrogen 3.117 N/A VAL 258.A N ALA 254.A O no hydrogen 3.005 N/A MET 259.A N ILE 255.A O no hydrogen 2.895 N/A ALA 260.A N PRO 256.A O no hydrogen 2.758 N/A ILE 261.A N GLN 257.A O no hydrogen 2.813 N/A ALA 262.A N VAL 258.A O no hydrogen 3.040 N/A THR 263.A N MET 259.A O no hydrogen 3.100 N/A THR 263.A OG1 MET 259.A O no hydrogen 3.250 N/A LEU 264.A N ALA 260.A O no hydrogen 3.167 N/A ALA 265.A N ILE 261.A O no hydrogen 3.116 N/A ALA 266.A N ALA 262.A O no hydrogen 2.893 N/A CYS 267.A N LEU 264.A O no hydrogen 3.328 N/A CYS 267.A SG THR 263.A O no hydrogen 2.845 N/A TYR 268.A N LEU 264.A O no hydrogen 3.220 N/A ASN 269.A N ASN 224.A OD1 no hydrogen 2.842 N/A VAL 273.A N ASN 270.A O no hydrogen 3.297 N/A VAL 273.A N ASN 270.A OD1 no hydrogen 3.244 N/A PHE 274.A N GLN 271.A O no hydrogen 2.711 N/A LYS 275.A N GLN 272.A O no hydrogen 3.144 N/A GLY 276.A N GLN 272.A O no hydrogen 2.993 N/A ALA 287.A N ASN 284.A OD1 no hydrogen 3.080 N/A VAL 288.A N ASN 284.A O no hydrogen 2.866 N/A LYS 289.A N MET 285.A O no hydrogen 2.484 N/A ALA 290.A N PRO 286.A O no hydrogen 3.101 N/A ILE 291.A N ALA 287.A O no hydrogen 2.835 N/A ILE 292.A N VAL 288.A O no hydrogen 2.845 N/A TYR 293.A N LYS 289.A O no hydrogen 2.725 N/A GLN 294.A N ALA 290.A O no hydrogen 2.906 N/A TYR 295.A N ILE 291.A O no hydrogen 3.270 N/A MET 296.A N ILE 292.A O no hydrogen 3.061 N/A GLU 297.A N TYR 293.A O no hydrogen 3.277 N/A GLU 298.A N GLN 294.A O no hydrogen 3.379 N/A ILE 299.A N TYR 295.A O no hydrogen 3.219 N/A TYR 300.A N MET 296.A O no hydrogen 2.925 N/A HIS 301.A N GLU 297.A O no hydrogen 2.741 N/A ARG 302.A N ILE 299.A O no hydrogen 3.036 N/A ARG 302.A NH1 ALA 265.A O no hydrogen 3.540 N/A ARG 302.A NH2 ALA 265.A O no hydrogen 3.187 N/A ARG 302.A NH2 TYR 268.A O no hydrogen 2.825 N/A ILE 303.A N TYR 300.A O no hydrogen 3.339 N/A ASP 307.A N PRO 304.A O no hydrogen 2.997 N/A SER 309.A N ASP 307.A OD2 no hydrogen 2.978 N/A SER 309.A OG ASP 307.A OD2 no hydrogen 2.801 N/A SER 310.A OG ASP 305.A O no hydrogen 3.093 N/A SER 310.A OG ASP 307.A O no hydrogen 2.307 N/A THR 313.A N SER 309.A O no hydrogen 3.144 N/A THR 313.A OG1 THR 228.A OG1 no hydrogen 2.828 N/A THR 313.A OG1 SER 309.A O no hydrogen 2.860 N/A ARG 314.A N SER 310.A O no hydrogen 3.019 N/A GLN 315.A N SER 311.A O no hydrogen 2.590 N/A ILE 316.A N LYS 312.A O no hydrogen 2.841 N/A ILE 317.A N THR 313.A O no hydrogen 3.019 N/A SER 318.A N ARG 314.A O no hydrogen 2.891 N/A THR 319.A N GLN 315.A O no hydrogen 3.299 N/A THR 319.A OG1 GLN 315.A O no hydrogen 3.113 N/A ILE 320.A N ILE 316.A O no hydrogen 3.100 N/A ARG 321.A N ILE 317.A O no hydrogen 2.913 N/A ARG 321.A NH2 GLU 297.A OE1 no hydrogen 2.652 N/A THR 322.A OG1 SER 318.A O no hydrogen 3.418 N/A