Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N SER 113.A OG no hydrogen 3.221 N/A VAL 4.A N SER 146.A O no hydrogen 2.801 N/A LEU 5.A N LEU 110.A O no hydrogen 2.711 N/A PHE 6.A N GLY 144.A O no hydrogen 2.600 N/A VAL 7.A N ALA 108.A O no hydrogen 2.933 N/A ASP 8.A N THR 142.A O no hydrogen 3.073 N/A PHE 9.A N ASP 106.A O no hydrogen 2.993 N/A ASP 10.A N THR 140.A O no hydrogen 3.270 N/A GLN 15.A N TYR 11.A O no hydrogen 2.795 N/A VAL 16.A N PHE 12.A O no hydrogen 2.874 N/A GLU 17.A N TYR 13.A O no hydrogen 3.110 N/A GLU 18.A N ALA 14.A O no hydrogen 2.961 N/A VAL 19.A N GLN 15.A O no hydrogen 2.973 N/A LEU 20.A N VAL 16.A O no hydrogen 2.975 N/A ASN 21.A N GLU 18.A O no hydrogen 3.224 N/A LEU 24.A N ASN 21.A O no hydrogen 2.761 N/A LYS 25.A N PRO 22.A O no hydrogen 3.250 N/A LYS 27.A N LYS 25.A O no hydrogen 3.092 N/A VAL 29.A N ASN 48.A OD1 no hydrogen 3.119 N/A VAL 30.A N VAL 73.A O no hydrogen 3.091 N/A VAL 31.A N THR 46.A O no hydrogen 2.910 N/A CYS 32.A N LEU 75.A O no hydrogen 2.776 N/A CYS 32.A SG VAL 30.A O no hydrogen 3.896 N/A VAL 33.A N ALA 43.A O no hydrogen 2.796 N/A SER 35.A N SER 41.A O no hydrogen 2.848 N/A SER 41.A OG PHE 38.A O no hydrogen 3.082 N/A ALA 43.A N VAL 33.A O no hydrogen 3.170 N/A VAL 44.A N ILE 60.A O no hydrogen 3.167 N/A ALA 45.A N VAL 31.A O no hydrogen 2.839 N/A THR 46.A N VAL 31.A O no hydrogen 3.480 N/A ASN 48.A N VAL 29.A O no hydrogen 2.983 N/A ASN 48.A ND2 LYS 27.A O no hydrogen 3.264 N/A ALA 51.A N ASN 48.A OD1 no hydrogen 2.957 N/A ARG 52.A N ASN 48.A O no hydrogen 3.055 N/A ARG 52.A N TYR 49.A O no hydrogen 2.993 N/A ARG 52.A NE ALA 47.A O no hydrogen 3.048 N/A LYS 53.A N TYR 49.A O no hydrogen 3.149 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 3.178 N/A PHE 54.A N ALA 51.A O no hydrogen 3.338 N/A GLY 55.A N ARG 52.A O no hydrogen 3.183 N/A GLY 59.A N VAL 44.A O no hydrogen 2.880 N/A ILE 60.A N LYS 57.A O no hydrogen 3.459 N/A ILE 62.A N GLY 42.A O no hydrogen 3.292 N/A ALA 65.A N PRO 61.A O no hydrogen 3.083 N/A LYS 66.A N ILE 62.A O no hydrogen 2.940 N/A LYS 67.A N VAL 63.A O no hydrogen 3.056 N/A ILE 68.A N GLU 64.A O no hydrogen 3.180 N/A LEU 69.A N ALA 65.A O no hydrogen 2.862 N/A VAL 73.A N PRO 28.A O no hydrogen 2.799 N/A TYR 74.A OH LEU 69.A O no hydrogen 2.613 N/A LEU 75.A N VAL 30.A O no hydrogen 3.153 N/A MET 77.A N CYS 32.A O no hydrogen 2.848 N/A ARG 78.A N TYR 82.A OH no hydrogen 3.229 N/A ARG 78.A NE GLU 17.A OE2 no hydrogen 3.150 N/A ARG 78.A NH2 GLU 17.A OE1 no hydrogen 2.641 N/A VAL 81.A N ARG 78.A O no hydrogen 2.845 N/A TYR 82.A N ARG 78.A O no hydrogen 3.375 N/A TYR 82.A OH GLU 17.A OE2 no hydrogen 2.287 N/A GLN 83.A N LYS 79.A O no hydrogen 2.929 N/A GLN 83.A NE2 GLN 83.A O no hydrogen 3.234 N/A GLN 83.A NE2 SER 87.A OG no hydrogen 3.095 N/A GLN 84.A N GLU 80.A O no hydrogen 3.167 N/A VAL 85.A N VAL 81.A O no hydrogen 3.206 N/A SER 86.A N TYR 82.A O no hydrogen 2.669 N/A SER 86.A OG ILE 105.A O no hydrogen 2.676 N/A SER 87.A N GLN 83.A O no hydrogen 3.108 N/A SER 87.A OG GLN 83.A O no hydrogen 3.036 N/A ARG 88.A N GLN 84.A O no hydrogen 3.154 N/A ARG 88.A NE GLU 137.A OE1 no hydrogen 3.314 N/A ARG 88.A NE GLU 137.A OE2 no hydrogen 2.941 N/A ARG 88.A NH2 GLU 137.A OE1 no hydrogen 2.796 N/A ILE 89.A N VAL 85.A O no hydrogen 3.111 N/A MET 90.A N SER 86.A O no hydrogen 2.928 N/A ASN 91.A N SER 87.A O no hydrogen 3.015 N/A LEU 92.A N ARG 88.A O no hydrogen 3.295 N/A LEU 93.A N ILE 89.A O no hydrogen 2.727 N/A ARG 94.A N MET 90.A O no hydrogen 2.807 N/A ARG 94.A NH2 ASN 91.A OD1 no hydrogen 3.438 N/A GLU 95.A N LEU 92.A O no hydrogen 3.058 N/A TYR 96.A N LEU 93.A O no hydrogen 3.115 N/A TYR 96.A OH GLU 128.A OE2 no hydrogen 3.246 N/A SER 97.A OG ASP 111.A O no hydrogen 2.729 N/A LYS 99.A N SER 97.A OG no hydrogen 3.184 N/A GLU 101.A N TYR 109.A O no hydrogen 2.939 N/A ALA 103.A N GLU 107.A O no hydrogen 3.100 N/A SER 104.A OG ASP 106.A OD1 no hydrogen 3.195 N/A ASP 106.A N SER 104.A OG no hydrogen 2.954 N/A ALA 108.A N VAL 7.A O no hydrogen 2.980 N/A TYR 109.A N GLU 101.A O no hydrogen 2.994 N/A LEU 110.A N LEU 5.A O no hydrogen 2.463 N/A ASP 111.A N LYS 99.A O no hydrogen 2.931 N/A ILE 112.A N ILE 3.A O no hydrogen 2.967 N/A SER 113.A N ASP 111.A OD1 no hydrogen 3.187 N/A SER 113.A OG ASP 111.A OD1 no hydrogen 2.853 N/A LYS 115.A N ILE 112.A O no hydrogen 2.953 N/A LYS 115.A NZ GLU 98.A OE1 no hydrogen 3.028 N/A VAL 116.A N ILE 112.A O no hydrogen 3.235 N/A ARG 117.A N GLU 121.A OE1 no hydrogen 2.932 N/A GLU 121.A N ASP 118.A O no hydrogen 3.254 N/A ALA 122.A N ASP 118.A O no hydrogen 3.242 N/A TYR 123.A N TYR 119.A O no hydrogen 2.918 N/A LEU 125.A N GLU 121.A O no hydrogen 2.986 N/A GLY 126.A N ALA 122.A O no hydrogen 2.588 N/A LEU 127.A N TYR 123.A O no hydrogen 2.846 N/A GLU 128.A N ASN 124.A O no hydrogen 2.903 N/A ILE 129.A N LEU 125.A O no hydrogen 2.848 N/A LYS 130.A N GLY 126.A O no hydrogen 3.017 N/A LYS 130.A NZ VAL 141.A O no hydrogen 2.853 N/A LYS 130.A NZ ASN 162.A OD1 no hydrogen 3.307 N/A LYS 130.A NZ GLY 163.A O no hydrogen 2.924 N/A ASN 131.A N LEU 127.A O no hydrogen 3.069 N/A LYS 132.A N GLU 128.A O no hydrogen 2.998 N/A LYS 132.A NZ GLU 135.A OE2 no hydrogen 3.126 N/A ILE 133.A N ILE 129.A O no hydrogen 3.040 N/A LEU 134.A N LYS 130.A O no hydrogen 2.953 N/A GLU 135.A N ASN 131.A O no hydrogen 2.940 N/A LYS 136.A N LYS 132.A O no hydrogen 3.118 N/A GLU 137.A N ILE 133.A O no hydrogen 2.923 N/A THR 140.A OG1 ASP 10.A OD2 no hydrogen 2.855 N/A THR 140.A OG1 GLN 15.A OE1 no hydrogen 3.539 N/A THR 142.A N ASP 8.A O no hydrogen 2.934 N/A THR 142.A OG1 ASP 10.A OD1 no hydrogen 2.648 N/A THR 142.A OG1 ASP 10.A OD2 no hydrogen 3.534 N/A VAL 143.A N GLY 163.A O no hydrogen 3.035 N/A GLY 144.A N PHE 6.A O no hydrogen 2.857 N/A ILE 145.A N LYS 165.A O no hydrogen 3.204 N/A SER 146.A N VAL 4.A O no hydrogen 3.137 N/A SER 146.A OG ILE 167.A O no hydrogen 3.187 N/A LYS 147.A N SER 146.A OG no hydrogen 2.665 N/A LYS 147.A NZ ASP 232.A OD1 no hydrogen 3.395 N/A LYS 147.A NZ ASP 232.A OD2 no hydrogen 2.444 N/A LYS 149.A NZ GLU 101.A OE1 no hydrogen 2.973 N/A LYS 149.A NZ GLU 101.A OE2 no hydrogen 3.345 N/A LYS 149.A NZ PRO 237.A O no hydrogen 2.853 N/A PHE 151.A N ASN 148.A OD1 no hydrogen 2.651 N/A ALA 152.A N ASN 148.A O no hydrogen 3.091 N/A LYS 153.A N LYS 149.A O no hydrogen 3.165 N/A LYS 153.A NZ GLU 107.A OE1 no hydrogen 3.012 N/A LYS 153.A NZ GLU 107.A OE2 no hydrogen 3.109 N/A ILE 154.A N VAL 150.A O no hydrogen 3.115 N/A ALA 155.A N PHE 151.A O no hydrogen 3.139 N/A ALA 156.A N ALA 152.A O no hydrogen 3.153 N/A ASP 157.A N LYS 153.A O no hydrogen 3.088 N/A MET 158.A N ILE 154.A O no hydrogen 3.135 N/A ALA 159.A N ALA 156.A O no hydrogen 3.310 N/A LYS 160.A NZ ASP 157.A OD1 no hydrogen 3.309 N/A ASN 162.A N ASP 10.A OD2 no hydrogen 2.939 N/A LYS 165.A N VAL 143.A O no hydrogen 2.922 N/A LYS 165.A NZ VAL 166.A O no hydrogen 3.106 N/A LYS 165.A NZ GLU 171.A OE1 no hydrogen 3.502 N/A ILE 167.A N ILE 145.A O no hydrogen 2.867 N/A GLU 171.A N ASP 168.A OD1 no hydrogen 3.177 N/A VAL 172.A N ASP 168.A O no hydrogen 3.236 N/A LYS 173.A N GLU 170.A O no hydrogen 2.690 N/A ARG 174.A NH1 GLU 178.A OE1 no hydrogen 3.564 N/A LEU 175.A N GLU 171.A O no hydrogen 2.976 N/A ILE 176.A N VAL 172.A O no hydrogen 2.823 N/A ARG 177.A N LYS 173.A O no hydrogen 3.065 N/A GLU 178.A N ARG 174.A O no hydrogen 2.580 N/A LEU 179.A N LEU 175.A O no hydrogen 3.322 N/A ILE 181.A N ASN 201.A O no hydrogen 3.032 N/A ASP 183.A N ASP 180.A O no hydrogen 3.068 N/A VAL 184.A N ILE 181.A O no hydrogen 2.866 N/A GLU 193.A N ASN 189.A O no hydrogen 3.071 N/A LEU 195.A N ALA 192.A O no hydrogen 2.731 N/A LYS 196.A N ALA 192.A O no hydrogen 2.503 N/A THR 206.A N LEU 203.A O no hydrogen 3.155 N/A THR 206.A OG1 LEU 203.A O no hydrogen 2.406 N/A LEU 207.A N VAL 204.A O no hydrogen 2.450 N/A SER 208.A N ASP 205.A O no hydrogen 2.843 N/A SER 208.A OG ASP 205.A O no hydrogen 3.455 N/A LEU 214.A N PHE 211.A O no hydrogen 3.165 N/A LYS 215.A N PHE 211.A O no hydrogen 2.745 N/A LYS 215.A NZ GLU 220.A OE2 no hydrogen 3.293 N/A GLY 216.A N ASP 212.A O no hydrogen 2.776 N/A ALA 223.A N GLY 219.A O no hydrogen 2.921 N/A LYS 224.A N GLU 220.A O no hydrogen 2.990 N/A TYR 225.A N ALA 221.A O no hydrogen 3.232 N/A TYR 225.A OH PRO 185.A O no hydrogen 2.703 N/A LEU 226.A N LYS 222.A O no hydrogen 3.165 N/A ILE 227.A N ALA 223.A O no hydrogen 3.108 N/A SER 228.A N LYS 224.A O no hydrogen 2.919 N/A LEU 229.A N TYR 225.A O no hydrogen 3.149 N/A ALA 230.A N LEU 226.A O no hydrogen 2.796 N/A ARG 231.A N ILE 227.A O no hydrogen 2.977 N/A ASP 232.A N LEU 229.A O no hydrogen 2.997 N/A GLU 233.A N SER 228.A O no hydrogen 2.763 N/A ARG 239.A N GLU 101.A OE1 no hydrogen 3.051 N/A ARG 241.A NE GLU 101.A OE2 no hydrogen 2.937 N/A ARG 241.A NH2 GLU 101.A OE2 no hydrogen 3.333 N/A LYS 244.A NZ VAL 242.A O no hydrogen 2.648 N/A ILE 246.A N PHE 338.A O no hydrogen 3.119 N/A ARG 248.A N VAL 336.A O no hydrogen 3.077 N/A VAL 250.A N ILE 334.A O no hydrogen 3.026 N/A MET 252.A N ARG 332.A O no hydrogen 3.066 N/A LYS 253.A N TYR 265.A OH no hydrogen 3.378 N/A LYS 253.A NZ GLY 36.A O no hydrogen 3.527 N/A ASN 255.A ND2 ASN 255.A O no hydrogen 2.781 N/A SER 256.A N ILE 331.A O no hydrogen 3.136 N/A SER 256.A OG GLU 261.A OE1 no hydrogen 2.846 N/A ARG 257.A NH1 ASP 327.A O no hydrogen 3.352 N/A ARG 257.A NH1 ARG 329.A O no hydrogen 3.274 N/A ARG 257.A NH2 LEU 324.A O no hydrogen 2.524 N/A GLU 261.A N ASN 258.A O no hydrogen 3.112 N/A GLU 261.A N ASN 258.A OD1 no hydrogen 2.693 N/A ILE 262.A N ASN 258.A O no hydrogen 3.112 N/A LYS 263.A N LEU 259.A O no hydrogen 3.007 N/A TYR 265.A N ILE 262.A O no hydrogen 3.202 N/A LEU 266.A N ILE 262.A O no hydrogen 3.456 N/A PHE 267.A N LYS 263.A O no hydrogen 3.207 N/A ARG 268.A N PRO 264.A O no hydrogen 3.296 N/A ARG 268.A N TYR 265.A O no hydrogen 2.839 N/A ARG 268.A NH2 PRO 264.A O no hydrogen 3.214 N/A ALA 269.A N TYR 265.A O no hydrogen 3.187 N/A ILE 270.A N LEU 266.A O no hydrogen 3.370 N/A GLU 271.A N PHE 267.A O no hydrogen 3.190 N/A GLU 272.A N ARG 268.A O no hydrogen 3.068 N/A SER 273.A N ALA 269.A O no hydrogen 2.823 N/A SER 273.A OG ALA 269.A O no hydrogen 2.948 N/A TYR 274.A N ILE 270.A O no hydrogen 2.760 N/A TYR 274.A OH ILE 307.A O no hydrogen 2.543 N/A TYR 275.A N GLU 271.A O no hydrogen 2.791 N/A LYS 276.A N GLU 272.A O no hydrogen 2.913 N/A LYS 276.A NZ GLY 247.A O no hydrogen 3.334 N/A LEU 277.A N SER 273.A O no hydrogen 2.976 N/A ARG 280.A NE LEU 277.A O no hydrogen 3.099 N/A ARG 280.A NH2 LEU 277.A O no hydrogen 3.297 N/A LYS 283.A N SER 339.A O no hydrogen 3.027 N/A LYS 283.A N LYS 340.A O no hydrogen 3.103 N/A LYS 283.A NZ LYS 340.A O no hydrogen 2.813 N/A ILE 285.A N ARG 301.A O no hydrogen 3.330 N/A HIS 286.A N ARG 337.A O no hydrogen 2.857 N/A VAL 287.A N ARG 299.A O no hydrogen 2.767 N/A VAL 288.A N GLY 335.A O no hydrogen 2.866 N/A ALA 289.A N VAL 297.A O no hydrogen 2.963 N/A VAL 290.A N ARG 333.A O no hydrogen 3.117 N/A THR 291.A OG1 ASP 293.A OD2 no hydrogen 2.291 N/A GLU 292.A N LYS 330.A O no hydrogen 3.227 N/A LEU 294.A N THR 291.A O no hydrogen 2.818 N/A ASP 295.A N THR 291.A OG1 no hydrogen 2.927 N/A VAL 297.A N ALA 289.A O no hydrogen 2.721 N/A ARG 299.A N VAL 287.A O no hydrogen 3.151 N/A ARG 299.A NH1 SER 298.A O no hydrogen 3.479 N/A ARG 301.A N ILE 285.A O no hydrogen 3.024 N/A ARG 301.A NH1 GLU 315.A OE1 no hydrogen 2.482 N/A PHE 303.A N LYS 283.A O no hydrogen 2.815 N/A ILE 307.A N PRO 282.A O no hydrogen 2.837 N/A SER 308.A OG GLU 310.A OE1 no hydrogen 3.108 N/A SER 308.A OG THR 311.A OG1 no hydrogen 2.803 N/A LYS 309.A NZ GLU 271.A OE1 no hydrogen 3.496 N/A LYS 309.A NZ GLU 271.A OE2 no hydrogen 2.530 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.348 N/A THR 311.A N SER 308.A OG no hydrogen 3.086 N/A THR 311.A OG1 SER 308.A OG no hydrogen 2.803 N/A ALA 312.A N SER 308.A O no hydrogen 2.960 N/A TYR 313.A N LYS 309.A O no hydrogen 3.135 N/A SER 314.A N GLU 310.A O no hydrogen 3.149 N/A GLU 315.A N THR 311.A O no hydrogen 2.927 N/A SER 316.A N ALA 312.A O no hydrogen 2.998 N/A SER 316.A OG ALA 312.A O no hydrogen 2.457 N/A VAL 317.A N SER 314.A O no hydrogen 3.024 N/A LYS 318.A N SER 314.A O no hydrogen 3.458 N/A LEU 319.A N GLU 315.A O no hydrogen 3.181 N/A LEU 320.A N SER 316.A O no hydrogen 2.657 N/A GLN 321.A N VAL 317.A O no hydrogen 2.619 N/A LYS 322.A N LYS 318.A O no hydrogen 2.935 N/A ILE 323.A N LEU 319.A O no hydrogen 3.415 N/A LEU 324.A N LEU 320.A O no hydrogen 3.128 N/A GLU 325.A N LYS 322.A O no hydrogen 3.065 N/A GLU 326.A N ILE 323.A O no hydrogen 2.975 N/A ASP 327.A N ILE 323.A O no hydrogen 3.152 N/A GLU 328.A N ASP 327.A OD1 no hydrogen 2.836 N/A ARG 329.A N ASP 327.A OD1 no hydrogen 3.428 N/A ARG 329.A NE ASP 327.A OD1 no hydrogen 2.743 N/A ARG 329.A NE ASP 327.A OD2 no hydrogen 3.427 N/A ARG 329.A NH1 ASP 293.A OD1 no hydrogen 2.526 N/A ARG 329.A NH2 ASP 295.A O no hydrogen 3.144 N/A ARG 329.A NH2 ASP 295.A OD2 no hydrogen 2.410 N/A ARG 329.A NH2 ASP 327.A OD2 no hydrogen 2.867 N/A ILE 331.A N SER 256.A O no hydrogen 2.744 N/A ARG 332.A N VAL 290.A O no hydrogen 2.668 N/A ARG 333.A N VAL 290.A O no hydrogen 3.105 N/A ILE 334.A N VAL 250.A O no hydrogen 3.005 N/A GLY 335.A N VAL 288.A O no hydrogen 2.923 N/A VAL 336.A N ARG 248.A O no hydrogen 3.140 N/A ARG 337.A N HIS 286.A O no hydrogen 2.763 N/A PHE 338.A N ILE 246.A O no hydrogen 2.904 N/A SER 339.A N ALA 284.A O no hydrogen 2.987 N/A LYS 340.A NZ SER 339.A OG no hydrogen 2.645 N/A ILE 342.A N ILE 281.A O no hydrogen 2.918 N/A