Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h3d_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 27.A OE2 no hydrogen 2.748 N/A SER 2.A OG GLU 27.A OE1 no hydrogen 2.827 N/A LEU 5.A N SER 2.A OG no hydrogen 3.107 N/A GLU 6.A N SER 2.A O no hydrogen 2.992 N/A ASP 7.A N ARG 3.A O no hydrogen 2.695 N/A PHE 8.A N LEU 4.A O no hydrogen 2.969 N/A ARG 9.A N LEU 5.A O no hydrogen 2.837 N/A ARG 9.A NE ASP 31.A OD2 no hydrogen 2.762 N/A ASN 10.A N GLU 6.A O no hydrogen 2.733 N/A GLN 11.A N PHE 8.A O no hydrogen 3.012 N/A ARG 12.A N ASP 7.A O no hydrogen 2.986 N/A ARG 12.A NH1 ASP 7.A OD2 no hydrogen 3.007 N/A LEU 16.A N TYR 13.A O no hydrogen 3.112 N/A GLN 17.A N ASP 20.A OD2 no hydrogen 2.689 N/A ASP 20.A N GLN 17.A O no hydrogen 2.871 N/A LEU 21.A N LEU 18.A O no hydrogen 3.182 N/A ASN 23.A N GLU 56.A OE2 no hydrogen 2.565 N/A HIS 24.A N LEU 21.A O no hydrogen 2.723 N/A ILE 25.A N GLU 56.A OE1 no hydrogen 2.900 N/A GLU 27.A N HIS 24.A O no hydrogen 3.290 N/A PHE 28.A N HIS 24.A O no hydrogen 3.026 N/A SER 29.A N ILE 25.A O no hydrogen 2.886 N/A SER 29.A OG ILE 25.A O no hydrogen 2.775 N/A ASP 31.A N PHE 28.A O no hydrogen 3.182 N/A GLY 34.A N ASP 31.A OD1 no hydrogen 2.747 N/A SER 35.A N ASP 31.A O no hydrogen 3.017 N/A SER 35.A OG SER 29.A O no hydrogen 2.586 N/A SER 35.A OG ASP 31.A O no hydrogen 2.874 N/A PHE 37.A N HIS 33.A O no hydrogen 2.952 N/A ILE 38.A N GLY 34.A O no hydrogen 3.002 N/A GLN 39.A N SER 35.A O no hydrogen 2.890 N/A GLN 39.A NE2 SER 35.A O no hydrogen 3.128 N/A GLN 40.A N ARG 36.A O no hydrogen 2.790 N/A LYS 41.A N PHE 37.A O no hydrogen 2.992 N/A LEU 42.A N ILE 38.A O no hydrogen 3.017 N/A ALA 45.A N LEU 42.A O no hydrogen 3.319 N/A THR 46.A N GLU 49.A OE1 no hydrogen 2.666 N/A THR 46.A OG1 GLU 49.A OE1 no hydrogen 3.405 N/A LYS 50.A N THR 46.A O no hydrogen 3.072 N/A GLN 51.A N ALA 47.A O no hydrogen 2.915 N/A MET 52.A N ALA 48.A O no hydrogen 3.023 N/A VAL 53.A N GLU 49.A O no hydrogen 2.852 N/A PHE 54.A N LYS 50.A O no hydrogen 3.006 N/A SER 55.A N GLN 51.A O no hydrogen 2.973 N/A GLU 56.A N MET 52.A O no hydrogen 3.077 N/A ILE 57.A N VAL 53.A O no hydrogen 2.708 N/A LEU 58.A N PHE 54.A O no hydrogen 2.690 N/A ALA 59.A N SER 55.A O no hydrogen 3.345 N/A ALA 60.A N ILE 57.A O no hydrogen 3.090 N/A LEU 64.A N ALA 60.A O no hydrogen 3.191 N/A MET 65.A N ALA 61.A O no hydrogen 2.770 N/A THR 66.A OG1 TYR 62.A O no hydrogen 2.678 N/A THR 66.A OG1 SER 63.A O no hydrogen 3.561 N/A ASP 67.A N LEU 64.A O no hydrogen 3.056 N/A PHE 69.A N ASP 67.A OD1 no hydrogen 2.811 N/A GLY 70.A N ASP 67.A OD1 no hydrogen 2.564 N/A ASN 71.A N ASP 67.A O no hydrogen 3.192 N/A TYR 72.A N PHE 69.A O no hydrogen 3.206 N/A VAL 73.A N GLY 70.A O no hydrogen 3.000 N/A ILE 74.A N GLY 70.A O no hydrogen 3.220 N/A GLN 75.A N ASN 71.A O no hydrogen 2.917 N/A LYS 76.A N TYR 72.A O no hydrogen 2.908 N/A LYS 76.A NZ GLN 39.A O no hydrogen 2.885 N/A PHE 77.A N VAL 73.A O no hydrogen 2.931 N/A PHE 78.A N ILE 74.A O no hydrogen 2.984 N/A GLU 79.A N GLN 75.A O no hydrogen 3.187 N/A GLU 79.A N LYS 76.A O no hydrogen 3.057 N/A PHE 80.A N LYS 76.A O no hydrogen 3.140 N/A GLY 81.A N PHE 77.A O no hydrogen 2.820 N/A THR 82.A N GLN 85.A OE1 no hydrogen 3.027 N/A GLN 85.A NE2 GLN 51.A OE1 no hydrogen 2.728 N/A LYS 86.A N THR 82.A O no hydrogen 2.928 N/A LYS 86.A NZ GLU 79.A O no hydrogen 3.346 N/A ASN 87.A N PRO 83.A O no hydrogen 3.241 N/A THR 88.A N GLU 84.A O no hydrogen 2.865 N/A THR 88.A OG1 GLU 84.A O no hydrogen 2.504 N/A LEU 89.A N GLN 85.A O no hydrogen 2.916 N/A GLY 90.A N LYS 86.A O no hydrogen 2.728 N/A MET 91.A N ASN 87.A O no hydrogen 3.247 N/A MET 91.A N THR 88.A O no hydrogen 3.098 N/A VAL 93.A N LEU 89.A O no hydrogen 3.089 N/A LYS 94.A N GLY 90.A O no hydrogen 2.982 N/A LYS 94.A NZ GLU 124.A OE1 no hydrogen 2.949 N/A GLY 95.A N MET 91.A O no hydrogen 3.079 N/A HIS 96.A N VAL 93.A O no hydrogen 3.059 N/A ALA 101.A N VAL 97.A O no hydrogen 2.920 N/A ALA 101.A N GLN 99.A O no hydrogen 2.524 N/A GLN 103.A N LEU 100.A O no hydrogen 2.821 N/A GLN 103.A NE2 THR 66.A O no hydrogen 3.021 N/A TYR 105.A N GLN 103.A OE1 no hydrogen 2.863 N/A GLY 106.A N GLN 103.A OE1 no hydrogen 2.801 N/A CYS 107.A N GLN 103.A O no hydrogen 2.945 N/A CYS 107.A SG ASN 141.A OD1 no hydrogen 3.653 N/A CYS 107.A SG HIS 144.A ND1 no hydrogen 3.536 N/A ARG 108.A NH1 ASN 71.A OD1 no hydrogen 3.338 N/A VAL 109.A N TYR 105.A O no hydrogen 3.002 N/A ILE 110.A N GLY 106.A O no hydrogen 3.084 N/A GLN 111.A N CYS 107.A O no hydrogen 3.228 N/A LYS 112.A N ARG 108.A O no hydrogen 3.042 N/A LYS 112.A NZ GLU 115.A OE2 no hydrogen 3.524 N/A ALA 113.A N VAL 109.A O no hydrogen 2.785 N/A LEU 114.A N ILE 110.A O no hydrogen 2.958 N/A GLU 115.A N LYS 112.A O no hydrogen 3.226 N/A SER 116.A N ALA 113.A O no hydrogen 3.044 N/A SER 116.A OG PHE 78.A O no hydrogen 3.468 N/A SER 116.A OG LYS 112.A O no hydrogen 2.538 N/A ILE 117.A N ALA 113.A O no hydrogen 3.079 N/A SER 118.A OG GLU 120.A OE1 no hydrogen 3.559 N/A GLN 122.A N SER 118.A O no hydrogen 3.269 N/A GLN 123.A N PRO 119.A O no hydrogen 3.174 N/A GLU 124.A N GLU 120.A O no hydrogen 3.005 N/A ILE 125.A N GLN 121.A O no hydrogen 3.104 N/A VAL 126.A N GLN 122.A O no hydrogen 3.123 N/A HIS 127.A N GLN 123.A O no hydrogen 2.865 N/A GLU 128.A N ILE 125.A O no hydrogen 2.930 N/A LEU 129.A N VAL 126.A O no hydrogen 3.247 N/A HIS 132.A N LEU 129.A O no hydrogen 2.655 N/A HIS 132.A ND1 ASP 130.A O no hydrogen 2.974 N/A CYS 136.A SG HIS 132.A O no hydrogen 3.658 N/A CYS 136.A SG VAL 133.A O no hydrogen 3.151 N/A VAL 137.A N VAL 133.A O no hydrogen 3.053 N/A LYS 138.A N LEU 134.A O no hydrogen 3.079 N/A ASP 139.A N CYS 136.A O no hydrogen 3.034 N/A ASN 141.A N ASP 139.A OD1 no hydrogen 2.548 N/A ASN 141.A ND2 LEU 102.A O no hydrogen 3.447 N/A GLY 142.A N ASP 139.A OD1 no hydrogen 2.669 N/A ASN 143.A N ASP 139.A O no hydrogen 3.158 N/A ASN 143.A ND2 ASP 139.A O no hydrogen 2.880 N/A HIS 144.A N ASN 141.A O no hydrogen 2.961 N/A VAL 145.A N ASN 141.A O no hydrogen 3.373 N/A VAL 146.A N GLY 142.A O no hydrogen 3.113 N/A GLN 147.A N ASN 143.A O no hydrogen 2.948 N/A GLN 147.A NE2 ASN 143.A O no hydrogen 3.364 N/A GLN 147.A NE2 ASN 143.A OD1 no hydrogen 2.758 N/A LYS 148.A N HIS 144.A O no hydrogen 3.020 N/A LYS 148.A NZ GLN 111.A O no hydrogen 3.182 N/A LYS 148.A NZ GLU 115.A OE1 no hydrogen 2.799 N/A CYS 149.A N VAL 145.A O no hydrogen 2.847 N/A CYS 149.A SG VAL 145.A O no hydrogen 3.156 N/A ILE 150.A N VAL 146.A O no hydrogen 2.935 N/A GLU 151.A N GLN 147.A O no hydrogen 2.786 N/A CYS 152.A N LYS 148.A O no hydrogen 3.082 N/A CYS 152.A N CYS 149.A O no hydrogen 3.350 N/A CYS 152.A SG LYS 148.A O no hydrogen 2.691 N/A ALA 157.A N ASP 154.A O no hydrogen 2.425 N/A LEU 158.A N PRO 155.A O no hydrogen 2.561 N/A ILE 162.A N LEU 158.A O no hydrogen 3.333 N/A ASN 163.A N GLN 159.A O no hydrogen 2.902 N/A ALA 164.A N PHE 160.A O no hydrogen 2.923 N/A PHE 165.A N ILE 161.A O no hydrogen 3.002 N/A LYS 166.A N ASN 163.A O no hydrogen 3.368 N/A LYS 166.A NZ ASN 163.A OD1 no hydrogen 2.925 N/A GLY 167.A N GLU 200.A OE2 no hydrogen 2.731 N/A GLN 168.A N PHE 165.A O no hydrogen 2.768 N/A VAL 169.A N GLU 200.A OE1 no hydrogen 3.172 N/A LEU 172.A N GLN 168.A O no hydrogen 2.947 N/A SER 173.A N VAL 169.A O no hydrogen 2.616 N/A SER 173.A OG VAL 169.A O no hydrogen 2.780 N/A THR 174.A N TYR 170.A O no hydrogen 3.061 N/A HIS 175.A N LEU 172.A O no hydrogen 3.078 N/A TYR 177.A N HIS 175.A ND1 no hydrogen 3.201 N/A GLY 178.A N HIS 175.A ND1 no hydrogen 3.146 N/A CYS 179.A N HIS 175.A O no hydrogen 3.095 N/A CYS 179.A SG HIS 175.A O no hydrogen 2.701 N/A CYS 179.A SG PRO 176.A O no hydrogen 3.268 N/A ARG 180.A NE ASN 143.A OD1 no hydrogen 3.254 N/A ARG 180.A NH2 ASN 143.A OD1 no hydrogen 2.977 N/A ILE 182.A N GLY 178.A O no hydrogen 3.205 N/A ARG 184.A N ARG 180.A O no hydrogen 3.066 N/A ARG 184.A NE GLU 151.A OE1 no hydrogen 2.824 N/A ARG 184.A NH2 GLU 151.A OE1 no hydrogen 3.427 N/A ILE 185.A N VAL 181.A O no hydrogen 2.953 N/A LEU 186.A N ILE 182.A O no hydrogen 3.081 N/A GLU 187.A N GLN 183.A O no hydrogen 3.126 N/A HIS 188.A N ARG 184.A O no hydrogen 3.073 N/A HIS 188.A N ILE 185.A O no hydrogen 3.252 N/A CYS 189.A N ILE 185.A O no hydrogen 2.966 N/A THR 190.A N GLN 193.A OE1 no hydrogen 2.741 N/A GLN 193.A N THR 190.A OG1 no hydrogen 3.328 N/A THR 194.A N THR 190.A O no hydrogen 3.271 N/A THR 194.A OG1 THR 190.A O no hydrogen 3.350 N/A THR 194.A OG1 ALA 191.A O no hydrogen 3.214 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.274 N/A LEU 198.A N THR 194.A O no hydrogen 3.034 N/A ASP 199.A N THR 195.A O no hydrogen 2.795 N/A GLU 200.A N PRO 196.A O no hydrogen 3.448 N/A LEU 201.A N ILE 197.A O no hydrogen 2.980 N/A HIS 202.A N LEU 198.A O no hydrogen 2.865 N/A GLU 203.A N ASP 199.A O no hydrogen 3.143 N/A HIS 204.A N GLU 200.A O no hydrogen 3.246 N/A HIS 204.A ND1 GLN 207.A OE1 no hydrogen 3.005 N/A THR 205.A N HIS 202.A O no hydrogen 3.183 N/A THR 205.A OG1 LEU 201.A O no hydrogen 2.942 N/A THR 205.A OG1 HIS 202.A O no hydrogen 3.056 N/A LEU 208.A N HIS 204.A O no hydrogen 3.033 N/A ASP 211.A N LEU 208.A O no hydrogen 3.357 N/A TYR 213.A N ASP 211.A OD2 no hydrogen 3.362 N/A ASN 215.A N ASP 211.A O no hydrogen 3.107 N/A ILE 218.A N GLY 214.A O no hydrogen 2.958 N/A GLN 219.A N ASN 215.A O no hydrogen 2.778 N/A HIS 220.A N TYR 216.A O no hydrogen 3.035 N/A VAL 221.A N VAL 217.A O no hydrogen 3.261 N/A LEU 222.A N ILE 218.A O no hydrogen 3.142 N/A GLU 223.A N GLN 219.A O no hydrogen 2.813 N/A HIS 224.A N VAL 221.A O no hydrogen 3.338 N/A GLY 225.A N VAL 221.A O no hydrogen 2.619 N/A GLN 227.A NE2 SER 231.A OG no hydrogen 3.080 N/A LYS 230.A N LYS 226.A O no hydrogen 2.829 N/A LYS 230.A NZ GLY 225.A O no hydrogen 3.430 N/A SER 231.A N GLN 227.A O no hydrogen 2.784 N/A SER 231.A OG GLN 227.A O no hydrogen 2.927 N/A SER 231.A OG GLU 265.A OE2 no hydrogen 3.211 N/A ILE 232.A N GLU 228.A O no hydrogen 2.930 N/A LEU 233.A N ASP 229.A O no hydrogen 3.094 N/A ILE 234.A N LYS 230.A O no hydrogen 2.881 N/A ASN 235.A N SER 231.A O no hydrogen 2.943 N/A SER 236.A N LEU 233.A O no hydrogen 2.748 N/A SER 236.A OG GLU 206.A OE2 no hydrogen 3.032 N/A VAL 237.A N ILE 234.A O no hydrogen 2.626 N/A ARG 238.A N ILE 234.A O no hydrogen 3.191 N/A GLY 239.A N GLU 272.A OE1 no hydrogen 3.223 N/A GLY 239.A N GLU 272.A OE2 no hydrogen 2.991 N/A LYS 240.A N VAL 237.A O no hydrogen 3.032 N/A LYS 240.A NZ SER 236.A O no hydrogen 3.293 N/A VAL 241.A N GLU 272.A OE2 no hydrogen 3.456 N/A LEU 244.A N LYS 240.A O no hydrogen 2.861 N/A SER 245.A N VAL 241.A O no hydrogen 2.849 N/A SER 245.A OG VAL 241.A O no hydrogen 2.708 N/A GLN 246.A N VAL 243.A O no hydrogen 3.168 N/A HIS 247.A N LEU 244.A O no hydrogen 3.055 N/A SER 251.A N HIS 247.A O no hydrogen 3.032 N/A SER 251.A OG HIS 247.A O no hydrogen 2.351 N/A ASN 252.A N PHE 249.A O no hydrogen 3.161 N/A VAL 253.A N ALA 250.A O no hydrogen 2.836 N/A VAL 254.A N ALA 250.A O no hydrogen 2.964 N/A GLU 255.A N SER 251.A O no hydrogen 2.975 N/A LYS 256.A NZ GLU 223.A OE2 no hydrogen 2.495 N/A CYS 257.A N VAL 253.A O no hydrogen 2.908 N/A CYS 257.A SG VAL 253.A O no hydrogen 3.350 N/A VAL 258.A N VAL 254.A O no hydrogen 2.924 N/A THR 259.A N GLU 255.A O no hydrogen 3.100 N/A THR 259.A OG1 GLU 255.A O no hydrogen 2.911 N/A HIS 260.A N LYS 256.A O no hydrogen 2.867 N/A ALA 261.A N CYS 257.A O no hydrogen 2.759 N/A ARG 266.A N THR 262.A O no hydrogen 2.547 N/A THR 267.A N ARG 263.A O no hydrogen 3.206 N/A THR 267.A OG1 ARG 263.A O no hydrogen 3.219 N/A GLY 268.A N GLU 265.A O no hydrogen 3.172 N/A LEU 269.A N GLU 265.A O no hydrogen 3.105 N/A ILE 270.A N ARG 266.A O no hydrogen 2.931 N/A ASP 271.A N THR 267.A O no hydrogen 2.911 N/A GLU 272.A N GLY 268.A O no hydrogen 3.088 N/A GLU 272.A N LEU 269.A O no hydrogen 3.182 N/A CYS 274.A N ILE 270.A O no hydrogen 3.096 N/A CYS 274.A SG CYS 274.A O no hydrogen 2.830 N/A CYS 274.A SG LYS 307.A O no hydrogen 3.963 N/A THR 275.A OG1 ASP 271.A O no hydrogen 3.382 N/A MET 284.A N ASN 279.A O no hydrogen 2.941 N/A MET 285.A N LEU 281.A O no hydrogen 3.531 N/A LYS 286.A N HIS 282.A O no hydrogen 2.475 N/A ASP 287.A N VAL 283.A O no hydrogen 2.864 N/A TYR 289.A N ASP 287.A OD1 no hydrogen 2.747 N/A ALA 290.A N ASP 287.A OD1 no hydrogen 3.023 N/A ASN 291.A N ASP 287.A O no hydrogen 3.350 N/A TYR 292.A N TYR 289.A O no hydrogen 3.166 N/A VAL 293.A N ALA 290.A O no hydrogen 3.063 N/A VAL 294.A N ALA 290.A O no hydrogen 3.251 N/A GLN 295.A N ASN 291.A O no hydrogen 3.121 N/A LYS 296.A N TYR 292.A O no hydrogen 2.994 N/A MET 297.A N VAL 293.A O no hydrogen 3.005 N/A ILE 298.A N VAL 294.A O no hydrogen 2.947 N/A ILE 298.A N GLN 295.A O no hydrogen 2.993 N/A ASP 299.A N GLN 295.A O no hydrogen 3.003 N/A LYS 308.A N GLN 305.A O no hydrogen 2.849 N/A LEU 309.A N GLN 305.A O no hydrogen 2.766 N/A THR 311.A OG1 LYS 308.A O no hydrogen 3.340 N/A