Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3itz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A NE2 ILE 350.A O no hydrogen 2.952 N/A ARG 9.A NH2 PRO 96.A O no hydrogen 2.777 N/A TYR 13.A N VAL 24.A O no hydrogen 2.972 N/A TYR 13.A OH TYR 28.A O no hydrogen 2.686 N/A LEU 17.A N THR 20.A O no hydrogen 3.114 N/A TRP 22.A N GLN 15.A O no hydrogen 2.592 N/A GLU 23.A N TYR 107.A OH no hydrogen 2.924 N/A VAL 24.A N TYR 13.A O no hydrogen 3.257 N/A GLU 26.A N THR 11.A O no hydrogen 2.965 N/A ARG 27.A NE ASP 47.A OD1 no hydrogen 2.857 N/A ARG 27.A NH2 ASP 47.A OD1 no hydrogen 3.418 N/A ARG 27.A NH2 ASP 47.A OD2 no hydrogen 2.922 N/A TYR 28.A N PRO 25.A O no hydrogen 2.985 N/A TYR 28.A OH ASP 92.A OD2 no hydrogen 2.676 N/A GLN 29.A N PHE 46.A O no hydrogen 2.932 N/A GLN 29.A NE2 GLU 26.A O no hydrogen 2.752 N/A SER 32.A N ALA 44.A O no hydrogen 2.863 N/A VAL 34.A N VAL 42.A O no hydrogen 3.070 N/A ALA 38.A N GLY 35.A O no hydrogen 2.869 N/A TYR 39.A OH ASP 116.A OD2 no hydrogen 3.063 N/A GLY 40.A N GLY 37.A O no hydrogen 3.212 N/A VAL 42.A N GLY 40.A O no hydrogen 3.072 N/A CYS 43.A N VAL 56.A O no hydrogen 2.848 N/A ALA 44.A N SER 32.A O no hydrogen 2.657 N/A ALA 45.A N VAL 54.A O no hydrogen 2.843 N/A PHE 46.A N GLN 29.A O no hydrogen 2.869 N/A ASP 47.A N LEU 52.A O no hydrogen 2.903 N/A THR 48.A N ARG 27.A O no hydrogen 2.957 N/A THR 48.A OG1 ARG 27.A O no hydrogen 2.887 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 3.194 N/A THR 50.A N ASP 47.A O no hydrogen 3.266 N/A THR 50.A OG1 ASP 47.A OD2 no hydrogen 2.623 N/A GLY 51.A N ASP 47.A O no hydrogen 2.775 N/A LEU 52.A N THR 50.A OG1 no hydrogen 3.374 N/A VAL 54.A N ALA 45.A O no hydrogen 2.814 N/A ALA 55.A N THR 110.A O no hydrogen 2.862 N/A VAL 56.A N CYS 43.A O no hydrogen 2.764 N/A LYS 57.A N LEU 108.A O no hydrogen 2.785 N/A LYS 57.A NZ GLU 75.A OE2 no hydrogen 2.724 N/A LYS 58.A N SER 41.A O no hydrogen 2.898 N/A LYS 58.A NZ ILE 21.A O no hydrogen 2.803 N/A LEU 59.A N VAL 106.A O no hydrogen 2.808 N/A HIS 68.A N SER 65.A OG no hydrogen 3.158 N/A ALA 69.A N SER 65.A O no hydrogen 2.926 N/A LYS 70.A N ILE 66.A O no hydrogen 3.041 N/A LYS 70.A NZ GLU 332.A O no hydrogen 2.684 N/A ARG 71.A N ILE 67.A O no hydrogen 2.876 N/A THR 72.A N HIS 68.A O no hydrogen 2.864 N/A THR 72.A OG1 PRO 62.A O no hydrogen 3.017 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.902 N/A TYR 73.A N ALA 69.A O no hydrogen 3.061 N/A ARG 74.A N LYS 70.A O no hydrogen 2.840 N/A ARG 74.A NE GLU 332.A OE1 no hydrogen 3.417 N/A ARG 74.A NE GLU 332.A OE2 no hydrogen 2.898 N/A ARG 74.A NH2 GLU 332.A OE1 no hydrogen 2.836 N/A GLU 75.A N ARG 71.A O no hydrogen 2.944 N/A LEU 76.A N THR 72.A O no hydrogen 3.272 N/A ARG 77.A N TYR 73.A O no hydrogen 3.003 N/A ARG 77.A NH1 TYR 73.A OH no hydrogen 2.871 N/A ARG 77.A NH2 ASP 328.A O no hydrogen 2.802 N/A LEU 78.A N ARG 74.A O no hydrogen 2.970 N/A LEU 79.A N GLU 75.A O no hydrogen 3.001 N/A LYS 80.A N LEU 76.A O no hydrogen 2.935 N/A LYS 80.A NZ GLU 348.A O no hydrogen 2.838 N/A LYS 80.A NZ GLU 348.A OE1 no hydrogen 2.811 N/A HIS 81.A N LEU 78.A O no hydrogen 3.340 N/A HIS 81.A NE2 ASP 325.A O no hydrogen 2.740 N/A LYS 83.A N TYR 144.A OH no hydrogen 2.967 N/A LYS 83.A NZ LYS 80.A O no hydrogen 3.426 N/A ASN 86.A N HIS 84.A ND1 no hydrogen 3.065 N/A ASN 86.A ND2 GLN 137.A OE1 no hydrogen 3.251 N/A ASN 86.A ND2 LEU 168.A O no hydrogen 2.914 N/A VAL 87.A N HIS 84.A O no hydrogen 3.325 N/A ILE 88.A N ILE 170.A O no hydrogen 2.965 N/A LEU 91.A N VAL 109.A O no hydrogen 2.828 N/A ASP 92.A N VAL 109.A O no hydrogen 3.417 N/A VAL 93.A N ASP 92.A OD1 no hydrogen 2.904 N/A PHE 94.A N TYR 107.A O no hydrogen 3.171 N/A THR 95.A OG1 ASP 105.A O no hydrogen 3.129 N/A ALA 97.A N THR 95.A OG1 no hydrogen 3.201 N/A ARG 98.A N GLU 102.A OE1 no hydrogen 2.658 N/A SER 99.A OG GLU 101.A OE1 no hydrogen 3.517 N/A PHE 103.A N LEU 100.A O no hydrogen 3.292 N/A VAL 106.A N LEU 59.A O no hydrogen 3.185 N/A TYR 107.A N PHE 94.A O no hydrogen 3.057 N/A LEU 108.A N LYS 57.A O no hydrogen 2.814 N/A VAL 109.A N ASP 92.A O no hydrogen 2.932 N/A THR 110.A N ALA 55.A O no hydrogen 2.841 N/A THR 110.A OG1 HIS 111.A O no hydrogen 3.106 N/A LEU 112.A N ARG 53.A O no hydrogen 3.074 N/A GLY 114.A N VAL 162.A O no hydrogen 3.146 N/A GLY 114.A N ASN 163.A OD1 no hydrogen 3.117 N/A ALA 115.A N VAL 162.A O no hydrogen 3.047 N/A LEU 117.A N PRO 157.A O no hydrogen 3.156 N/A LEU 117.A N LEU 160.A O no hydrogen 2.899 N/A ASN 119.A N ASP 116.A O no hydrogen 3.054 N/A ASN 119.A N ASP 116.A OD1 no hydrogen 3.293 N/A ILE 120.A N ASP 116.A O no hydrogen 3.270 N/A VAL 121.A N LEU 117.A O no hydrogen 3.147 N/A CYS 123.A SG ASN 119.A O no hydrogen 3.381 N/A GLN 124.A N ILE 120.A O no hydrogen 3.083 N/A THR 127.A N HIS 130.A ND1 no hydrogen 3.412 N/A THR 127.A OG1 HIS 130.A ND1 no hydrogen 3.244 N/A VAL 131.A N THR 127.A O no hydrogen 3.118 N/A GLN 132.A N ASP 128.A O no hydrogen 2.811 N/A GLN 132.A NE2 ASP 128.A OD2 no hydrogen 2.989 N/A PHE 133.A N ASP 129.A O no hydrogen 2.981 N/A LEU 134.A N HIS 130.A O no hydrogen 2.788 N/A ILE 135.A N VAL 131.A O no hydrogen 2.985 N/A TYR 136.A N GLN 132.A O no hydrogen 2.955 N/A TYR 136.A OH GLU 321.A OE2 no hydrogen 2.659 N/A GLN 137.A N PHE 133.A O no hydrogen 3.203 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 2.960 N/A GLN 137.A NE2 CYS 166.A O no hydrogen 2.949 N/A ILE 138.A N LEU 134.A O no hydrogen 3.105 N/A LEU 139.A N ILE 135.A O no hydrogen 2.967 N/A ARG 140.A N TYR 136.A O no hydrogen 2.841 N/A ARG 140.A NE ASP 320.A O no hydrogen 2.812 N/A ARG 140.A NH1 GLU 85.A OE2 no hydrogen 2.904 N/A ARG 140.A NH1 ASN 86.A OD1 no hydrogen 2.871 N/A ARG 140.A NH2 GLU 85.A OE2 no hydrogen 3.163 N/A ARG 140.A NH2 ASP 320.A O no hydrogen 2.905 N/A ARG 140.A NH2 ASP 320.A OD1 no hydrogen 3.310 N/A GLY 141.A N GLN 137.A O no hydrogen 3.008 N/A LEU 142.A N ILE 138.A O no hydrogen 2.858 N/A LYS 143.A N LEU 139.A O no hydrogen 2.902 N/A LYS 143.A NZ GLU 321.A O no hydrogen 2.743 N/A TYR 144.A N ARG 140.A O no hydrogen 3.422 N/A ILE 145.A N GLY 141.A O no hydrogen 2.926 N/A HIS 146.A N LEU 142.A O no hydrogen 2.768 N/A HIS 146.A NE2 ASP 209.A OD2 no hydrogen 2.913 N/A SER 147.A N LYS 143.A O no hydrogen 2.985 N/A SER 147.A OG LYS 143.A O no hydrogen 3.154 N/A SER 147.A OG TYR 144.A O no hydrogen 2.654 N/A ALA 148.A N TYR 144.A O no hydrogen 3.315 N/A ALA 148.A N ILE 145.A O no hydrogen 3.179 N/A ASP 149.A N HIS 146.A O no hydrogen 2.997 N/A ILE 150.A N ILE 145.A O no hydrogen 3.257 N/A HIS 152.A N ASP 209.A OD2 no hydrogen 2.743 N/A HIS 152.A NE2 LEU 171.A O no hydrogen 2.668 N/A ARG 153.A N ASP 209.A OD1 no hydrogen 2.881 N/A ARG 153.A NE TYR 204.A OH no hydrogen 3.471 N/A ARG 153.A NH1 ALA 176.A O no hydrogen 2.558 N/A ARG 153.A NH2 ALA 176.A O no hydrogen 2.465 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.231 N/A LYS 156.A N ASN 159.A OD1 no hydrogen 3.195 N/A ASN 159.A N LYS 156.A O no hydrogen 2.990 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.706 N/A LEU 160.A N PRO 157.A O no hydrogen 3.247 N/A ALA 161.A N LYS 169.A O no hydrogen 2.926 N/A VAL 162.A N ALA 115.A O no hydrogen 2.638 N/A ASN 163.A N GLU 167.A O no hydrogen 2.949 N/A CYS 166.A N ASN 163.A O no hydrogen 2.884 N/A LEU 168.A N GLN 137.A OE1 no hydrogen 2.813 N/A LYS 169.A N ALA 161.A O no hydrogen 2.852 N/A LYS 169.A NZ GLU 85.A O no hydrogen 2.765 N/A ILE 170.A N ASN 86.A O no hydrogen 2.818 N/A LEU 171.A N ASN 159.A O no hydrogen 2.850 N/A GLY 174.A N HIS 152.A O no hydrogen 3.306 N/A ARG 177.A NH2 ALA 176.A O no hydrogen 2.829 N/A THR 179.A N GLU 182.A OE2 no hydrogen 2.997 N/A GLU 182.A N THR 179.A OG1 no hydrogen 3.304 N/A MET 183.A N ASP 180.A O no hydrogen 3.222 N/A THR 184.A N ASP 181.A O no hydrogen 3.149 N/A THR 184.A OG1 ASP 180.A O no hydrogen 2.614 N/A THR 189.A OG1 GLU 182.A O no hydrogen 2.593 N/A ARG 190.A N VAL 187.A O no hydrogen 3.238 N/A ARG 190.A NE GLN 235.A OE1 no hydrogen 2.788 N/A ARG 190.A NH1 MET 183.A O no hydrogen 2.923 N/A ARG 190.A NH1 GLY 185.A O no hydrogen 2.774 N/A ARG 190.A NH2 GLY 185.A O no hydrogen 3.207 N/A ARG 190.A NH2 GLY 229.A O no hydrogen 3.107 N/A ARG 190.A NH2 GLN 235.A OE1 no hydrogen 3.123 N/A TRP 191.A N ALA 188.A O no hydrogen 3.340 N/A TRP 191.A NE1 GLY 229.A O no hydrogen 3.035 N/A TYR 192.A OH GLU 219.A OE1 no hydrogen 2.663 N/A ARG 193.A N ARG 190.A O no hydrogen 3.136 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.819 N/A ILE 197.A N ALA 194.A O no hydrogen 3.109 N/A MET 198.A N ALA 194.A O no hydrogen 3.069 N/A LEU 199.A N PRO 195.A O no hydrogen 3.305 N/A TRP 201.A N GLU 196.A O no hydrogen 2.886 N/A THR 207.A OG1 ASN 205.A OD1 no hydrogen 2.625 N/A VAL 208.A N ASN 205.A O no hydrogen 3.086 N/A ASP 209.A N GLN 206.A O no hydrogen 2.819 N/A SER 212.A OG TYR 192.A O no hydrogen 2.860 N/A SER 212.A OG VAL 208.A O no hydrogen 3.440 N/A VAL 213.A N ASP 209.A O no hydrogen 3.093 N/A GLY 214.A N ILE 210.A O no hydrogen 3.011 N/A CYS 215.A N TRP 211.A O no hydrogen 3.129 N/A CYS 215.A SG TRP 211.A O no hydrogen 3.443 N/A ILE 216.A N SER 212.A O no hydrogen 3.000 N/A MET 217.A N VAL 213.A O no hydrogen 2.776 N/A ALA 218.A N GLY 214.A O no hydrogen 3.069 N/A GLU 219.A N CYS 215.A O no hydrogen 3.172 N/A LEU 220.A N ILE 216.A O no hydrogen 2.959 N/A LEU 221.A N MET 217.A O no hydrogen 3.031 N/A THR 222.A N ALA 218.A O no hydrogen 2.976 N/A THR 222.A OG1 ALA 218.A O no hydrogen 2.983 N/A GLY 223.A N GLU 219.A O no hydrogen 2.788 N/A ARG 224.A N THR 222.A OG1 no hydrogen 3.151 N/A GLY 229.A N PHE 227.A O no hydrogen 2.891 N/A THR 230.A N ASP 234.A OD2 no hydrogen 2.813 N/A THR 230.A OG1 ASP 231.A OD2 no hydrogen 3.498 N/A THR 230.A OG1 ASP 234.A OD2 no hydrogen 3.048 N/A ASP 234.A N ASP 231.A OD1 no hydrogen 2.852 N/A GLN 235.A N ASP 231.A O no hydrogen 2.915 N/A GLN 235.A NE2 ARG 190.A O no hydrogen 2.928 N/A LEU 236.A N HIS 232.A O no hydrogen 3.095 N/A LYS 237.A N ILE 233.A O no hydrogen 3.058 N/A LEU 238.A N ASP 234.A O no hydrogen 3.121 N/A ILE 239.A N GLN 235.A O no hydrogen 2.949 N/A LEU 240.A N LEU 236.A O no hydrogen 2.874 N/A ARG 241.A N LYS 237.A O no hydrogen 2.917 N/A LEU 242.A N LEU 238.A O no hydrogen 3.341 N/A VAL 243.A N ILE 239.A O no hydrogen 2.851 N/A GLY 244.A N LEU 240.A O no hydrogen 2.778 N/A THR 245.A N MET 269.A O no hydrogen 3.092 N/A THR 245.A OG1 MET 269.A O no hydrogen 3.236 N/A LEU 251.A N GLY 247.A O no hydrogen 3.151 N/A LYS 252.A N ALA 248.A O no hydrogen 3.407 N/A LYS 253.A N LEU 250.A O no hydrogen 3.031 N/A LYS 253.A NZ ASP 296.A OD1 no hydrogen 3.402 N/A LYS 253.A NZ ASP 296.A OD2 no hydrogen 2.698 N/A LYS 253.A NZ ASP 298.A OD1 no hydrogen 3.006 N/A ILE 254.A N LEU 251.A O no hydrogen 3.284 N/A SER 255.A OG TRP 201.A O no hydrogen 3.129 N/A SER 256.A N TRP 201.A O no hydrogen 3.366 N/A ALA 259.A N SER 256.A OG no hydrogen 3.389 N/A ARG 260.A N SER 256.A O no hydrogen 2.977 N/A ARG 260.A NH1 LEU 251.A O no hydrogen 3.350 N/A ASN 261.A N GLU 257.A O no hydrogen 2.924 N/A TYR 262.A N SER 258.A O no hydrogen 2.976 N/A ILE 263.A N ALA 259.A O no hydrogen 3.072 N/A GLN 264.A N ARG 260.A O no hydrogen 3.199 N/A SER 265.A N TYR 262.A O no hydrogen 3.111 N/A SER 265.A OG TYR 262.A O no hydrogen 2.674 N/A LEU 266.A N ILE 263.A O no hydrogen 3.044 N/A MET 269.A N THR 245.A OG1 no hydrogen 3.039 N/A LYS 271.A NZ MET 272.A O no hydrogen 2.870 N/A LYS 271.A NZ GLU 290.A OE2 no hydrogen 2.866 N/A MET 272.A N LEU 242.A O no hydrogen 2.972 N/A ALA 275.A N ASN 273.A OD1 no hydrogen 3.111 N/A ASN 276.A N ASN 273.A O no hydrogen 3.172 N/A VAL 277.A N ASN 273.A O no hydrogen 3.205 N/A VAL 277.A N PHE 274.A O no hydrogen 3.201 N/A PHE 278.A N PHE 274.A O no hydrogen 2.742 N/A ASN 282.A ND2 ASP 128.A OD2 no hydrogen 2.889 N/A LEU 284.A N ASN 282.A OD1 no hydrogen 3.070 N/A VAL 286.A N ASN 282.A O no hydrogen 3.108 N/A ASP 287.A N PRO 283.A O no hydrogen 3.089 N/A LEU 288.A N LEU 284.A O no hydrogen 3.129 N/A LEU 289.A N ALA 285.A O no hydrogen 2.977 N/A GLU 290.A N VAL 286.A O no hydrogen 3.015 N/A LYS 291.A N ASP 287.A O no hydrogen 3.272 N/A LYS 291.A N LEU 288.A O no hydrogen 2.967 N/A LYS 291.A NZ ASP 287.A OD2 no hydrogen 3.266 N/A MET 292.A N LEU 288.A O no hydrogen 3.012 N/A LEU 293.A N LEU 289.A O no hydrogen 3.034 N/A ASP 298.A N ASP 296.A OD1 no hydrogen 3.278 N/A LYS 299.A N ASP 296.A O no hydrogen 3.069 N/A ARG 300.A N SER 297.A O no hydrogen 3.390 N/A ARG 300.A NE VAL 294.A O no hydrogen 2.788 N/A ARG 300.A NH1 GLU 196.A OE2 no hydrogen 2.818 N/A ARG 300.A NH1 THR 207.A O no hydrogen 2.942 N/A ARG 300.A NH2 GLU 196.A OE1 no hydrogen 2.871 N/A ARG 300.A NH2 VAL 294.A O no hydrogen 3.463 N/A ARG 300.A NH2 LEU 295.A O no hydrogen 3.194 N/A ILE 301.A N LYS 291.A O no hydrogen 2.882 N/A THR 302.A N GLN 305.A OE1 no hydrogen 3.403 N/A GLN 305.A N THR 302.A OG1 no hydrogen 3.395 N/A ALA 306.A N THR 302.A O no hydrogen 2.915 N/A LEU 307.A N ALA 303.A O no hydrogen 3.146 N/A ALA 308.A N GLN 305.A O no hydrogen 3.213 N/A HIS 309.A N ALA 306.A O no hydrogen 2.976 N/A HIS 309.A NE2 ASP 287.A OD2 no hydrogen 2.703 N/A TYR 311.A N HIS 309.A ND1 no hydrogen 3.199 N/A TYR 311.A OH ASP 128.A OD1 no hydrogen 2.796 N/A PHE 312.A N HIS 309.A O no hydrogen 2.988 N/A ALA 313.A N ALA 310.A O no hydrogen 3.228 N/A GLN 314.A NE2 GLN 132.A OE1 no hydrogen 2.849 N/A TYR 315.A N PHE 312.A O no hydrogen 3.068 N/A TYR 315.A OH ASP 129.A OD1 no hydrogen 2.692 N/A HIS 316.A N PHE 312.A O no hydrogen 2.790 N/A HIS 316.A ND1 GLU 321.A OE2 no hydrogen 2.753 N/A ASP 317.A N GLU 321.A OE2 no hydrogen 3.163 N/A ASP 319.A N ASP 317.A OD1 no hydrogen 2.916 N/A ASP 320.A N ASP 317.A O no hydrogen 2.811 N/A ALA 324.A N SER 147.A OG no hydrogen 2.873 N/A TYR 327.A N ALA 148.A O no hydrogen 3.119 N/A SER 330.A N ASP 328.A OD1 no hydrogen 3.096 N/A SER 330.A OG ASP 328.A OD1 no hydrogen 2.619 N/A GLU 332.A N GLN 329.A O no hydrogen 2.848 N/A SER 333.A OG SER 330.A O no hydrogen 3.201 N/A ARG 334.A N PHE 331.A O no hydrogen 3.052 N/A LEU 337.A N GLU 340.A OE1 no hydrogen 2.975 N/A GLU 340.A N LEU 337.A O no hydrogen 3.128 N/A TRP 341.A N LEU 337.A O no hydrogen 3.169 N/A LYS 342.A N ILE 338.A O no hydrogen 2.910 N/A LYS 342.A NZ LEU 100.A O no hydrogen 3.215 N/A SER 343.A N ASP 339.A O no hydrogen 3.044 N/A LEU 344.A N GLU 340.A O no hydrogen 3.075 N/A THR 345.A N TRP 341.A O no hydrogen 2.894 N/A THR 345.A OG1 TRP 341.A O no hydrogen 2.713 N/A TYR 346.A N LYS 342.A O no hydrogen 2.845 N/A ASP 347.A N SER 343.A O no hydrogen 2.911 N/A GLU 348.A N LEU 344.A O no hydrogen 3.225 N/A VAL 349.A N THR 345.A O no hydrogen 3.026 N/A ILE 350.A N TYR 346.A O no hydrogen 3.092 N/A SER 351.A N ASP 347.A O no hydrogen 3.044 N/A SER 351.A OG ASP 347.A O no hydrogen 3.019 N/A SER 351.A OG GLU 348.A O no hydrogen 3.381 N/A PHE 352.A N VAL 349.A O no hydrogen 3.367 N/A