Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tui_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 29.A O no hydrogen 3.345 N/A LYS 4.A N LEU 64.A O no hydrogen 2.648 N/A LEU 5.A N LEU 27.A O no hydrogen 2.924 N/A SER 6.A N SER 62.A O no hydrogen 3.066 N/A ASN 7.A N SER 26.A OG no hydrogen 2.681 N/A ILE 8.A N VAL 25.A O no hydrogen 2.644 N/A THR 9.A N GLU 60.A O no hydrogen 2.699 N/A THR 9.A OG1 ASN 7.A O no hydrogen 3.249 N/A LYS 10.A N LEU 22.A O no hydrogen 2.988 N/A LYS 10.A NZ GLU 56.A OE2 no hydrogen 3.234 N/A LYS 10.A NZ ARG 57.A O no hydrogen 3.092 N/A VAL 11.A N THR 59.A OG1 no hydrogen 2.926 N/A PHE 12.A N ILE 19.A O no hydrogen 3.145 N/A HIS 13.A ND1 THR 18.A OG1 no hydrogen 2.385 N/A THR 18.A OG1 HIS 13.A ND1 no hydrogen 2.385 N/A ALA 21.A N LYS 10.A O no hydrogen 2.835 N/A LEU 22.A N LYS 10.A O no hydrogen 3.055 N/A ASN 23.A N GLY 218.A O no hydrogen 2.894 N/A ASN 24.A N THR 9.A OG1 no hydrogen 2.999 N/A ASN 24.A ND2 ASN 7.A OD1 no hydrogen 2.953 N/A ASN 24.A ND2 ASN 24.A O no hydrogen 2.538 N/A VAL 25.A N ILE 8.A O no hydrogen 2.912 N/A SER 26.A OG ASN 24.A O no hydrogen 3.349 N/A LEU 27.A N LEU 5.A O no hydrogen 2.622 N/A VAL 29.A N ILE 3.A O no hydrogen 2.801 N/A GLY 32.A N THR 194.A OG1 no hydrogen 3.323 N/A GLN 33.A N PRO 30.A O no hydrogen 3.272 N/A ILE 34.A N ASP 210.A OD2 no hydrogen 2.933 N/A TYR 35.A N ILE 195.A O no hydrogen 2.776 N/A GLY 36.A N CYS 211.A O no hydrogen 2.938 N/A VAL 37.A N LEU 197.A O no hydrogen 2.567 N/A ILE 38.A N ALA 213.A O no hydrogen 2.895 N/A GLY 39.A N THR 199.A O no hydrogen 3.318 N/A ALA 43.A N ALA 40.A O no hydrogen 3.295 N/A LYS 45.A NZ GLY 39.A O no hydrogen 3.136 N/A LEU 48.A N GLY 44.A O no hydrogen 2.825 N/A ILE 49.A N LYS 45.A O no hydrogen 2.903 N/A ARG 50.A N SER 46.A O no hydrogen 3.228 N/A ARG 50.A NE SER 46.A O no hydrogen 3.026 N/A ARG 50.A NH2 ASP 166.A OD1 no hydrogen 2.867 N/A CYS 51.A N THR 47.A O no hydrogen 3.054 N/A CYS 51.A SG THR 47.A O no hydrogen 3.434 N/A ASN 53.A N ARG 50.A O no hydrogen 2.949 N/A LEU 54.A N CYS 51.A O no hydrogen 2.624 N/A LEU 55.A N ARG 50.A O no hydrogen 3.041 N/A GLU 60.A N THR 9.A O no hydrogen 2.958 N/A SER 62.A N SER 6.A O no hydrogen 2.818 N/A SER 62.A OG GLU 69.A OE1 no hydrogen 3.339 N/A LEU 64.A N LYS 4.A O no hydrogen 2.943 N/A VAL 65.A N GLN 68.A O no hydrogen 3.034 N/A ASP 66.A N MET 2.A O no hydrogen 2.433 N/A GLN 68.A N VAL 65.A O no hydrogen 3.083 N/A THR 71.A N GLU 69.A OE2 no hydrogen 2.730 N/A THR 71.A OG1 GLU 69.A OE2 no hydrogen 3.037 N/A GLU 77.A N SER 74.A O no hydrogen 2.534 N/A LEU 78.A N SER 74.A O no hydrogen 2.899 N/A THR 79.A OG1 GLU 75.A O no hydrogen 3.542 N/A ALA 81.A N GLU 77.A O no hydrogen 2.952 N/A ARG 82.A N LEU 78.A O no hydrogen 2.916 N/A ARG 82.A NE ASN 53.A O no hydrogen 3.163 N/A ARG 82.A NH1 ASN 53.A O no hydrogen 2.601 N/A ARG 83.A N LYS 80.A O no hydrogen 3.159 N/A ARG 83.A NE THR 79.A O no hydrogen 3.117 N/A GLN 84.A N ALA 81.A O no hydrogen 2.665 N/A GLY 86.A N VAL 162.A O no hydrogen 2.751 N/A ILE 88.A N LEU 164.A O no hydrogen 3.126 N/A GLN 90.A NE2 HIS 91.A NE2 no hydrogen 3.159 N/A ARG 98.A N LEU 95.A O no hydrogen 3.375 N/A ARG 98.A NE GLY 102.A O no hydrogen 3.521 N/A ARG 98.A NH2 GLU 109.A OE1 no hydrogen 2.782 N/A VAL 100.A N SER 137.A O no hydrogen 2.779 N/A PHE 101.A N HIS 135.A O no hydrogen 3.171 N/A GLY 102.A N THR 99.A OG1 no hydrogen 3.316 N/A ASN 103.A N THR 99.A O no hydrogen 2.747 N/A VAL 104.A N VAL 100.A O no hydrogen 3.258 N/A ALA 105.A N PHE 101.A O no hydrogen 3.201 N/A LEU 106.A N GLY 102.A O no hydrogen 3.052 N/A LEU 108.A N ALA 105.A O no hydrogen 2.470 N/A GLU 109.A N ALA 105.A O no hydrogen 3.047 N/A GLU 109.A N LEU 106.A O no hydrogen 3.170 N/A LEU 110.A N LEU 106.A O no hydrogen 3.179 N/A THR 113.A OG1 LEU 108.A O no hydrogen 3.080 N/A LYS 119.A N LYS 115.A O no hydrogen 3.176 N/A ARG 120.A N ASP 116.A O no hydrogen 3.241 N/A ARG 121.A N GLU 117.A O no hydrogen 2.419 N/A ARG 121.A NH2 ALA 157.A O no hydrogen 2.716 N/A VAL 122.A N VAL 118.A O no hydrogen 3.050 N/A THR 123.A N LYS 119.A O no hydrogen 3.340 N/A THR 123.A OG1 LYS 119.A O no hydrogen 2.590 N/A GLU 124.A N ARG 120.A O no hydrogen 3.122 N/A LEU 125.A N ARG 121.A O no hydrogen 3.042 N/A LEU 126.A N VAL 122.A O no hydrogen 3.013 N/A SER 127.A N THR 123.A O no hydrogen 3.067 N/A SER 127.A N GLU 124.A O no hydrogen 2.711 N/A LEU 128.A N GLU 124.A O no hydrogen 2.938 N/A VAL 129.A N LEU 125.A O no hydrogen 3.322 N/A LEU 131.A N LEU 126.A O no hydrogen 2.859 N/A LYS 134.A N LEU 131.A O no hydrogen 2.530 N/A SER 137.A N LYS 134.A O no hydrogen 2.873 N/A ASN 141.A N TYR 138.A O no hydrogen 2.617 N/A GLN 146.A NE2 SER 143.A OG no hydrogen 3.289 N/A LYS 147.A N SER 143.A O no hydrogen 3.219 N/A LYS 147.A NZ LEU 142.A O no hydrogen 3.158 N/A GLN 148.A N GLY 144.A O no hydrogen 3.337 N/A GLN 148.A NE2 PHE 89.A O no hydrogen 2.797 N/A GLN 148.A NE2 ALA 168.A O no hydrogen 2.912 N/A ARG 149.A N GLY 145.A O no hydrogen 2.992 N/A ARG 149.A NE VAL 129.A O no hydrogen 2.955 N/A VAL 150.A N GLN 146.A O no hydrogen 3.124 N/A ALA 151.A N LYS 147.A O no hydrogen 2.858 N/A ILE 152.A N GLN 148.A O no hydrogen 2.735 N/A ALA 153.A N ARG 149.A O no hydrogen 2.812 N/A ARG 154.A N VAL 150.A O no hydrogen 2.740 N/A ARG 154.A NH1 ASN 93.A O no hydrogen 3.068 N/A ARG 154.A NH2 ASN 93.A O no hydrogen 2.856 N/A ALA 155.A N ALA 151.A O no hydrogen 3.044 N/A ALA 155.A N ILE 152.A O no hydrogen 2.828 N/A LEU 156.A N ILE 152.A O no hydrogen 2.888 N/A LEU 156.A N ALA 153.A O no hydrogen 3.248 N/A ALA 157.A N ARG 154.A O no hydrogen 3.253 N/A SER 158.A OG ARG 83.A O no hydrogen 2.404 N/A ASN 159.A N LEU 156.A O no hydrogen 2.769 N/A VAL 162.A N GLN 84.A O no hydrogen 2.854 N/A LEU 163.A N THR 194.A O no hydrogen 2.735 N/A LEU 164.A N GLY 86.A O no hydrogen 2.870 N/A CYS 165.A N LEU 196.A O no hydrogen 2.944 N/A ASP 166.A N ILE 88.A O no hydrogen 3.049 N/A GLN 167.A N ILE 198.A O no hydrogen 3.111 N/A SER 170.A N GLN 167.A O no hydrogen 2.771 N/A SER 170.A OG GLN 167.A OE1 no hydrogen 3.486 N/A SER 170.A OG HIS 200.A NE2 no hydrogen 3.067 N/A LEU 172.A N THR 169.A O no hydrogen 3.196 N/A THR 176.A N ASP 173.A O no hydrogen 2.894 N/A THR 176.A N ASP 173.A OD1 no hydrogen 2.941 N/A THR 176.A OG1 ASP 173.A OD1 no hydrogen 2.408 N/A THR 177.A N ASP 173.A O no hydrogen 2.951 N/A THR 177.A OG1 PRO 174.A O no hydrogen 2.971 N/A ARG 178.A N PRO 174.A O no hydrogen 3.350 N/A SER 179.A OG THR 176.A O no hydrogen 2.760 N/A ILE 180.A N THR 176.A O no hydrogen 2.677 N/A LEU 181.A N THR 177.A O no hydrogen 3.019 N/A GLU 182.A N ARG 178.A O no hydrogen 3.055 N/A LEU 183.A N SER 179.A O no hydrogen 3.257 N/A LEU 184.A N ILE 180.A O no hydrogen 2.892 N/A LYS 185.A N LEU 181.A O no hydrogen 2.764 N/A LYS 185.A NZ GLU 182.A OE1 no hydrogen 3.409 N/A ASP 186.A N GLU 182.A O no hydrogen 3.113 N/A ILE 187.A N LEU 183.A O no hydrogen 3.269 N/A ASN 188.A N LEU 184.A O no hydrogen 3.086 N/A ASN 188.A ND2 LEU 193.A O no hydrogen 2.618 N/A ARG 189.A N LYS 185.A O no hydrogen 3.074 N/A ARG 190.A N ASP 186.A O no hydrogen 2.431 N/A LEU 191.A N ILE 187.A O no hydrogen 2.923 N/A LEU 193.A N ILE 187.A O no hydrogen 3.453 N/A THR 194.A N LYS 161.A O no hydrogen 3.194 N/A ILE 195.A N GLN 33.A O no hydrogen 3.122 N/A LEU 196.A N LEU 163.A O no hydrogen 2.909 N/A ILE 198.A N CYS 165.A O no hydrogen 2.889 N/A THR 199.A N VAL 37.A O no hydrogen 3.192 N/A THR 199.A OG1 GLU 201.A O no hydrogen 3.433 N/A HIS 200.A NE2 SER 170.A OG no hydrogen 3.067 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.064 N/A VAL 204.A N GLU 201.A O no hydrogen 2.879 N/A LYS 206.A N MET 202.A O no hydrogen 2.934 N/A LYS 206.A NZ THR 245.A OG1 no hydrogen 3.062 N/A LYS 206.A NZ ASP 303.A OD2 no hydrogen 2.384 N/A ARG 207.A N ASP 203.A O no hydrogen 3.196 N/A ILE 208.A N VAL 204.A O no hydrogen 3.447 N/A CYS 209.A N VAL 205.A O no hydrogen 2.901 N/A ASP 210.A N ILE 34.A O no hydrogen 2.716 N/A CYS 211.A N ILE 34.A O no hydrogen 3.305 N/A CYS 211.A SG GLN 33.A OE1 no hydrogen 3.385 N/A VAL 212.A N ASP 224.A O no hydrogen 3.365 N/A ALA 213.A N GLY 36.A O no hydrogen 2.640 N/A VAL 214.A N GLU 222.A O no hydrogen 3.038 N/A ILE 215.A N ILE 38.A O no hydrogen 2.820 N/A SER 216.A N GLU 219.A O no hydrogen 2.709 N/A SER 216.A OG ASN 217.A OD1 no hydrogen 3.489 N/A GLY 218.A N ALA 43.A O no hydrogen 2.742 N/A GLU 219.A N SER 216.A O no hydrogen 2.992 N/A ILE 221.A N VAL 214.A O no hydrogen 3.039 N/A GLN 223.A NE2 SER 26.A O no hydrogen 3.003 N/A VAL 226.A N ASP 210.A O no hydrogen 3.169 N/A SER 227.A OG GLY 306.A O no hydrogen 3.158 N/A VAL 229.A N THR 225.A O no hydrogen 2.662 N/A PHE 230.A N VAL 226.A O no hydrogen 2.879 N/A SER 231.A OG SER 227.A O no hydrogen 2.911 N/A LYS 234.A N GLU 222.A OE2 no hydrogen 2.770 N/A LYS 234.A NZ GLU 228.A OE1 no hydrogen 2.651 N/A LYS 234.A NZ HIS 232.A O no hydrogen 2.737 N/A GLN 239.A N THR 235.A O no hydrogen 2.977 N/A LYS 240.A N PRO 236.A O no hydrogen 2.867 N/A PHE 241.A N LEU 237.A O no hydrogen 2.966 N/A ILE 242.A N ALA 238.A O no hydrogen 3.042 N/A GLN 243.A N GLN 239.A O no hydrogen 2.626 N/A SER 244.A N LYS 240.A O no hydrogen 2.958 N/A SER 244.A OG PHE 241.A O no hydrogen 2.171 N/A THR 245.A N PHE 241.A O no hydrogen 3.000 N/A THR 245.A OG1 ASP 203.A OD1 no hydrogen 2.323 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.923 N/A TYR 254.A N PRO 251.A O no hydrogen 2.868 N/A TYR 254.A OH GLU 316.A OE2 no hydrogen 3.370 N/A GLN 255.A N PRO 251.A O no hydrogen 3.392 N/A GLU 256.A N GLU 252.A O no hydrogen 2.926 N/A ARG 257.A N ASP 253.A O no hydrogen 3.281 N/A LEU 258.A N TYR 254.A O no hydrogen 2.706 N/A GLN 259.A N TYR 343.A O no hydrogen 3.534 N/A CYS 266.A SG PHE 263.A O no hydrogen 3.087 N/A MET 269.A N GLY 342.A O no hydrogen 2.796 N/A LEU 270.A N THR 315.A O no hydrogen 2.932 N/A ARG 271.A N GLU 339.A O no hydrogen 2.821 N/A LEU 272.A N MET 313.A O no hydrogen 2.722 N/A GLU 273.A N LYS 337.A O no hydrogen 3.078 N/A PHE 274.A N GLY 311.A O no hydrogen 2.886 N/A THR 275.A N SER 278.A OG no hydrogen 3.034 N/A SER 278.A OG THR 275.A O no hydrogen 3.029 N/A SER 278.A OG HIS 335.A O no hydrogen 2.790 N/A LEU 283.A N ALA 281.A O no hydrogen 2.663 N/A GLU 286.A N PRO 282.A O no hydrogen 3.115 N/A THR 287.A N LEU 283.A O no hydrogen 3.160 N/A ALA 288.A N LEU 284.A O no hydrogen 3.093 N/A ARG 289.A NH1 GLU 286.A OE2 no hydrogen 2.716 N/A ARG 290.A N GLU 286.A O no hydrogen 3.025 N/A ARG 290.A NE GLU 286.A OE1 no hydrogen 2.998 N/A PHE 291.A N THR 287.A O no hydrogen 3.205 N/A VAL 293.A N ALA 288.A O no hydrogen 3.313 N/A ASN 294.A N HIS 318.A O no hydrogen 2.535 N/A ASN 296.A N GLU 316.A O no hydrogen 2.889 N/A ILE 298.A N LEU 314.A O no hydrogen 2.701 N/A SER 299.A N LEU 314.A O no hydrogen 3.165 N/A GLN 301.A N ILE 312.A O no hydrogen 2.835 N/A GLN 301.A NE2 MET 302.A O no hydrogen 2.794 N/A ASP 303.A N PHE 310.A O no hydrogen 2.967 N/A TYR 304.A N ASP 303.A OD1 no hydrogen 2.774 N/A ALA 305.A N VAL 308.A O no hydrogen 2.927 N/A LYS 309.A NZ ASP 280.A OD1 no hydrogen 2.811 N/A PHE 310.A N ASP 303.A O no hydrogen 2.969 N/A GLY 311.A N PHE 274.A O no hydrogen 3.010 N/A ILE 312.A N GLN 301.A O no hydrogen 2.799 N/A MET 313.A N LEU 272.A O no hydrogen 3.125 N/A LEU 314.A N SER 299.A O no hydrogen 2.811 N/A THR 315.A N LEU 270.A O no hydrogen 3.078 N/A GLU 316.A N ASN 296.A O no hydrogen 2.828 N/A MET 317.A N PRO 268.A O no hydrogen 3.262 N/A HIS 318.A N ASN 294.A O no hydrogen 2.619 N/A HIS 318.A NE2 GLU 316.A OE1 no hydrogen 3.146 N/A THR 320.A OG1 ASP 323.A OD2 no hydrogen 3.362 N/A GLN 322.A NE2 ASP 323.A OD1 no hydrogen 3.171 N/A THR 324.A N THR 320.A O no hydrogen 2.680 N/A THR 324.A OG1 THR 320.A O no hydrogen 3.369 N/A GLN 325.A N GLN 321.A O no hydrogen 3.377 N/A GLN 325.A NE2 GLN 321.A OE1 no hydrogen 2.954 N/A ALA 326.A N GLN 322.A O no hydrogen 2.679 N/A ALA 327.A N ASP 323.A O no hydrogen 2.988 N/A ILE 328.A N THR 324.A O no hydrogen 3.118 N/A ALA 329.A N GLN 325.A O no hydrogen 3.422 N/A TRP 330.A N ALA 326.A O no hydrogen 3.116 N/A TRP 330.A N ALA 327.A O no hydrogen 3.180 N/A LEU 331.A N ALA 327.A O no hydrogen 3.128 N/A LEU 331.A N ILE 328.A O no hydrogen 2.979 N/A GLN 332.A N ILE 328.A O no hydrogen 3.077 N/A GLU 333.A N ALA 329.A O no hydrogen 3.274 N/A HIS 334.A N LEU 331.A O no hydrogen 3.081 N/A HIS 334.A ND1 TRP 330.A O no hydrogen 2.836 N/A HIS 335.A N GLN 332.A O no hydrogen 3.351 N/A VAL 336.A N LEU 331.A O no hydrogen 2.906 N/A LYS 337.A N GLU 273.A O no hydrogen 3.102 N/A LYS 337.A NZ GLU 273.A OE1 no hydrogen 3.302 N/A LYS 337.A NZ GLU 339.A OE1 no hydrogen 3.342 N/A GLU 339.A N ARG 271.A O no hydrogen 3.298 N/A LEU 341.A N MET 269.A O no hydrogen 2.672 N/A TYR 343.A N GLN 259.A O no hydrogen 3.358 N/A VAL 344.A N VAL 267.A O no hydrogen 2.534 N/A