Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3im1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 1.A OE2 no hydrogen 2.873 N/A THR 3.A OG1 GLU 1.A OE1 no hydrogen 2.758 N/A THR 3.A OG1 GLU 1.A OE2 no hydrogen 3.028 N/A LEU 9.A N ILE 6.A O no hydrogen 3.332 N/A LEU 13.A N PRO 254.A O no hydrogen 3.069 N/A SER 16.A N GLU 114.A OE2 no hydrogen 2.984 N/A TYR 18.A OH LYS 115.A O no hydrogen 2.804 N/A SER 21.A N GLU 50.A OE2 no hydrogen 2.996 N/A SER 21.A OG THR 24.A OG1 no hydrogen 3.120 N/A SER 21.A OG GLU 50.A OE2 no hydrogen 2.943 N/A THR 24.A N SER 21.A OG no hydrogen 3.140 N/A THR 24.A OG1 SER 21.A OG no hydrogen 3.120 N/A THR 24.A OG1 GLU 50.A OE1 no hydrogen 2.642 N/A THR 24.A OG1 GLU 50.A OE2 no hydrogen 3.417 N/A ILE 25.A N SER 21.A O no hydrogen 3.046 N/A GLN 26.A N PHE 22.A O no hydrogen 2.823 N/A SER 27.A N.A PHE 23.A O no hydrogen 2.976 N/A SER 27.A N.B PHE 23.A O no hydrogen 2.973 N/A SER 27.A OG.B PHE 23.A O no hydrogen 3.140 N/A PHE 28.A N THR 24.A O no hydrogen 2.828 N/A VAL 29.A N ILE 25.A O no hydrogen 2.897 N/A SER 30.A N GLN 26.A O no hydrogen 3.024 N/A SER 31.A N SER 27.A O.A no hydrogen 3.143 N/A SER 31.A N SER 27.A O.B no hydrogen 3.107 N/A SER 31.A N PHE 28.A O no hydrogen 3.141 N/A SER 31.A OG SER 27.A O.A no hydrogen 3.267 N/A SER 31.A OG SER 27.A O.B no hydrogen 3.325 N/A LEU 32.A N PHE 28.A O no hydrogen 2.928 N/A SER 33.A N SER 36.A OG no hydrogen 2.946 N/A SER 33.A OG THR 35.A OG1 no hydrogen 2.986 N/A THR 35.A N SER 33.A OG no hydrogen 3.193 N/A THR 35.A OG1 SER 33.A OG no hydrogen 2.986 N/A SER 36.A N SER 33.A O no hydrogen 3.150 N/A SER 36.A OG SER 33.A O no hydrogen 3.278 N/A THR 37.A N ASN 40.A OD1 no hydrogen 3.069 N/A ASN 40.A N THR 37.A OG1 no hydrogen 3.086 N/A MET 41.A N THR 37.A O no hydrogen 2.864 N/A LEU 42.A N LEU 38.A O.A no hydrogen 3.022 N/A LEU 42.A N LEU 38.A O.B no hydrogen 2.911 N/A TYR 43.A N LYS 39.A O no hydrogen 3.033 N/A VAL 44.A N ASN 40.A O no hydrogen 2.850 N/A LEU 45.A N.A MET 41.A O no hydrogen 2.892 N/A LEU 45.A N.B MET 41.A O no hydrogen 2.888 N/A SER 46.A N LEU 42.A O no hydrogen 3.066 N/A SER 46.A OG TYR 43.A O no hydrogen 2.660 N/A SER 46.A OG SER 85.A OG no hydrogen 2.885 N/A THR 47.A N VAL 44.A O no hydrogen 2.991 N/A THR 47.A OG1 VAL 44.A O no hydrogen 2.655 N/A ALA 48.A N LEU 45.A O.A no hydrogen 3.094 N/A ALA 48.A N LEU 45.A O.B no hydrogen 3.397 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.885 N/A PHE 51.A N ALA 48.A O no hydrogen 3.053 N/A GLU 52.A N VAL 49.A O.A no hydrogen 2.950 N/A GLU 52.A N VAL 49.A O.B no hydrogen 3.013 N/A SER 53.A OG GLU 50.A O no hydrogen 3.431 N/A VAL 54.A N PHE 51.A O no hydrogen 2.879 N/A ARG 57.A N ASP 60.A OD2 no hydrogen 2.977 N/A ARG 57.A NH1 ASP 108.A OD1 no hydrogen 3.512 N/A ARG 57.A NH1 ASP 108.A OD2 no hydrogen 3.024 N/A ARG 57.A NH2 ASP 108.A OD1 no hydrogen 2.819 N/A ASP 60.A N ARG 57.A O no hydrogen 2.981 N/A ARG 61.A NE SER 81.A OG no hydrogen 3.107 N/A ARG 61.A NH1 SER 81.A OG no hydrogen 3.016 N/A LEU 63.A N GLY 59.A O no hydrogen 3.336 N/A LEU 64.A N ASP 60.A O no hydrogen 2.869 N/A VAL 65.A N ARG 61.A O no hydrogen 2.909 N/A LYS 66.A N ALA 62.A O no hydrogen 3.190 N/A LEU 67.A N.A LEU 63.A O no hydrogen 2.952 N/A LEU 67.A N.B LEU 63.A O no hydrogen 2.955 N/A SER 68.A N LEU 64.A O no hydrogen 2.813 N/A SER 68.A OG VAL 65.A O no hydrogen 2.707 N/A LYS 69.A N LYS 66.A O no hydrogen 3.314 N/A ARG 70.A N LEU 67.A O.A no hydrogen 3.067 N/A ARG 70.A N LEU 67.A O.B no hydrogen 2.868 N/A LEU 71.A N SER 68.A O no hydrogen 3.361 N/A LEU 73.A N GLN 93.A OE1 no hydrogen 2.986 N/A GLU 77.A N.A GLU 77.A OE2.A no hydrogen 2.583 N/A THR 79.A N PRO 76.A O no hydrogen 3.226 N/A THR 79.A OG1 HIS 78.A ND1 no hydrogen 3.097 N/A GLY 82.A N SER 80.A OG no hydrogen 3.079 N/A SER 83.A OG SER 80.A O no hydrogen 3.201 N/A SER 85.A OG SER 46.A OG no hydrogen 2.885 N/A PHE 86.A N SER 83.A O no hydrogen 3.270 N/A PHE 86.A N SER 83.A OG no hydrogen 3.350 N/A LYS 87.A NZ PRO 55.A O no hydrogen 2.715 N/A LYS 87.A NZ ASP 60.A OD2 no hydrogen 2.741 N/A LYS 87.A NZ ASP 108.A OD2 no hydrogen 2.758 N/A VAL 88.A N VAL 84.A O no hydrogen 2.940 N/A PHE 89.A N SER 85.A O no hydrogen 2.926 N/A LEU 90.A N PHE 86.A O no hydrogen 3.051 N/A LEU 91.A N LYS 87.A O no hydrogen 2.821 N/A LEU 92.A N VAL 88.A O no hydrogen 2.973 N/A GLN 93.A N PHE 89.A O no hydrogen 3.373 N/A GLN 93.A NE2 LEU 73.A O no hydrogen 3.000 N/A ALA 94.A N LEU 90.A O no hydrogen 2.955 N/A TYR 95.A N LEU 91.A O no hydrogen 2.916 N/A TYR 95.A OH LEU 145.A O no hydrogen 2.810 N/A PHE 96.A N LEU 92.A O no hydrogen 2.965 N/A SER 97.A N GLN 93.A O no hydrogen 2.862 N/A SER 97.A OG GLN 93.A O no hydrogen 3.293 N/A ARG 98.A N TYR 95.A O no hydrogen 3.147 N/A ARG 98.A NE GLY 148.A O no hydrogen 2.786 N/A ARG 98.A NH2 GLN 147.A O no hydrogen 2.970 N/A ARG 98.A NH2 GLY 148.A O no hydrogen 3.505 N/A LEU 99.A N ALA 94.A O no hydrogen 3.034 N/A GLN 106.A N PRO 102.A O no hydrogen 2.964 N/A GLN 106.A NE2 LEU 101.A O no hydrogen 3.052 N/A ASN 107.A N VAL 103.A O.A no hydrogen 2.952 N/A ASN 107.A N VAL 103.A O.B no hydrogen 2.953 N/A ASP 108.A N ASP 104.A O no hydrogen 3.046 N/A LEU 109.A N PHE 105.A O no hydrogen 2.843 N/A LYS 110.A N GLN 106.A O no hydrogen 3.096 N/A ASP 111.A N ASN 107.A O no hydrogen 3.218 N/A ILE 112.A N ASP 108.A O no hydrogen 2.948 N/A LEU 113.A N LEU 109.A O no hydrogen 2.865 N/A GLU 114.A N LYS 110.A O no hydrogen 3.074 N/A LYS 115.A N ILE 112.A O no hydrogen 3.037 N/A VAL 116.A N LEU 113.A O no hydrogen 3.391 N/A ILE 120.A N VAL 116.A O no hydrogen 2.918 N/A ASN 121.A N VAL 117.A O no hydrogen 3.156 N/A ASN 121.A ND2 VAL 117.A O no hydrogen 2.964 N/A VAL 122.A N PRO 118.A O no hydrogen 3.091 N/A VAL 123.A N LEU 119.A O no hydrogen 3.100 N/A VAL 124.A N ILE 120.A O no hydrogen 3.034 N/A ASP 125.A N ASN 121.A O no hydrogen 2.913 N/A ILE 126.A N VAL 122.A O no hydrogen 2.793 N/A LEU 127.A N VAL 123.A O no hydrogen 3.083 N/A SER 128.A N VAL 124.A O no hydrogen 2.916 N/A SER 128.A OG VAL 124.A O no hydrogen 2.846 N/A SER 128.A OG ASP 125.A O no hydrogen 3.322 N/A ALA 129.A N ASP 125.A O no hydrogen 2.914 N/A ASN 130.A N LEU 127.A O no hydrogen 3.306 N/A ASN 130.A ND2 ILE 126.A O no hydrogen 2.886 N/A GLY 131.A N SER 128.A O no hydrogen 2.872 N/A TYR 132.A N LEU 127.A O no hydrogen 3.102 N/A LEU 133.A N LYS 271.A O no hydrogen 3.139 N/A ASN 134.A ND2 SER 33.A O no hydrogen 2.967 N/A ASN 134.A ND2 SER 36.A O no hydrogen 3.215 N/A ALA 135.A N TYR 132.A O no hydrogen 3.152 N/A THR 136.A N LEU 133.A O no hydrogen 2.999 N/A THR 136.A OG1 LEU 133.A O no hydrogen 3.010 N/A THR 137.A N ASN 134.A O no hydrogen 2.928 N/A ALA 138.A N ASN 134.A O no hydrogen 3.349 N/A MET 139.A N ALA 135.A O no hydrogen 3.099 N/A ASP 140.A N THR 136.A O no hydrogen 3.078 N/A LEU 141.A N THR 137.A O no hydrogen 3.061 N/A ALA 142.A N ALA 138.A O no hydrogen 2.924 N/A GLN 143.A N MET 139.A O no hydrogen 3.080 N/A GLN 143.A NE2 CYS 308.A O no hydrogen 2.876 N/A GLN 143.A NE2 ASP 315.A OD2 no hydrogen 3.082 N/A MET 144.A N ASP 140.A O no hydrogen 3.086 N/A LEU 145.A N LEU 141.A O no hydrogen 2.978 N/A ILE 146.A N ALA 142.A O no hydrogen 3.342 N/A ILE 146.A N GLN 143.A O no hydrogen 3.104 N/A GLN 147.A N GLN 143.A O no hydrogen 3.009 N/A GLN 147.A NE2 THR 249.A O no hydrogen 3.101 N/A GLN 147.A NE2 SER 310.A O no hydrogen 2.939 N/A GLY 148.A N MET 144.A O no hydrogen 2.863 N/A TRP 150.A N ASP 153.A OD2 no hydrogen 2.820 N/A TRP 150.A NE1 SER 97.A OG no hydrogen 2.932 N/A ASP 153.A N TRP 150.A O no hydrogen 2.930 N/A LEU 156.A N ASN 154.A OD1 no hydrogen 3.027 N/A ARG 157.A N.A ASN 154.A O no hydrogen 2.954 N/A ARG 157.A N.B ASN 154.A O no hydrogen 2.952 N/A ARG 157.A NH1.A ASN 164.A OD1 no hydrogen 3.073 N/A ARG 157.A NH2.A ASN 164.A OD1 no hydrogen 3.492 N/A GLN 158.A N PRO 155.A O.A no hydrogen 3.146 N/A GLN 158.A NE2 PRO 155.A O.A no hydrogen 3.009 N/A GLN 158.A NE2 PRO 155.A O.B no hydrogen 2.886 N/A GLN 158.A NE2 LEU 312.A O no hydrogen 3.130 N/A ILE 159.A N LEU 156.A O no hydrogen 3.037 N/A HIS 161.A NE2 GLN 202.A OE1 no hydrogen 2.664 N/A PHE 162.A N ILE 159.A O no hydrogen 3.231 N/A ASN 163.A N HIS 161.A O no hydrogen 2.953 N/A ILE 166.A N ASN 163.A OD1 no hydrogen 2.954 N/A LEU 167.A N ASN 163.A O no hydrogen 2.940 N/A GLU 168.A N ASN 164.A O no hydrogen 3.084 N/A LYS 169.A N LYS 165.A O no hydrogen 3.187 N/A LYS 169.A NZ GLU 191.A O no hydrogen 3.537 N/A LYS 169.A NZ ILE 192.A O no hydrogen 2.834 N/A CYS 170.A N ILE 166.A O no hydrogen 2.970 N/A CYS 170.A SG ILE 166.A O no hydrogen 3.482 N/A LYS 171.A N LEU 167.A O no hydrogen 2.988 N/A GLU 172.A N GLU 168.A O no hydrogen 3.021 N/A ILE 173.A N CYS 170.A O no hydrogen 3.308 N/A ASN 174.A N LYS 171.A O no hydrogen 3.236 N/A VAL 175.A N CYS 170.A O no hydrogen 3.006 N/A GLU 176.A N ASP 180.A OD2 no hydrogen 2.957 N/A THR 177.A N ASP 180.A OD2 no hydrogen 3.113 N/A TYR 179.A OH PRO 211.A O no hydrogen 2.689 N/A ASP 180.A N THR 177.A OG1 no hydrogen 3.081 N/A ILE 181.A N THR 177.A O no hydrogen 3.361 N/A ALA 183.A N TYR 179.A O no hydrogen 3.120 N/A ALA 183.A N ASP 180.A O no hydrogen 3.260 N/A GLU 185.A N GLU 188.A OE1 no hydrogen 3.217 N/A ARG 189.A N.A GLU 185.A O no hydrogen 3.055 N/A ARG 189.A N.B GLU 185.A O no hydrogen 3.053 N/A ARG 189.A NH1.A ASP 186.A OD1 no hydrogen 3.031 N/A ARG 189.A NH1.B ILE 181.A O no hydrogen 3.227 N/A ARG 189.A NH1.B LEU 184.A O.A no hydrogen 2.799 N/A ARG 189.A NH1.B LEU 184.A O.B no hydrogen 2.435 N/A ASP 190.A N ASP 186.A O no hydrogen 2.817 N/A GLU 191.A N GLU 187.A O no hydrogen 3.214 N/A ILE 192.A N GLU 188.A O no hydrogen 3.343 N/A LEU 193.A N ARG 189.A O.A no hydrogen 2.871 N/A LEU 193.A N ARG 189.A O.B no hydrogen 2.884 N/A LEU 195.A N LEU 193.A O no hydrogen 2.876 N/A THR 196.A N GLN 199.A OE1 no hydrogen 2.971 N/A GLN 199.A N THR 196.A OG1 no hydrogen 3.314 N/A LEU 200.A N THR 196.A O no hydrogen 2.839 N/A ALA 201.A N ASP 197.A O no hydrogen 2.892 N/A GLN 202.A N GLN 199.A O no hydrogen 3.056 N/A GLN 202.A NE2 GLU 4.A O no hydrogen 3.363 N/A VAL 203.A N GLN 199.A O no hydrogen 3.061 N/A ALA 204.A N LEU 200.A O no hydrogen 2.824 N/A ALA 205.A N ALA 201.A O no hydrogen 3.084 N/A PHE 206.A N GLN 202.A O no hydrogen 3.436 N/A VAL 207.A N VAL 203.A O no hydrogen 3.005 N/A ASN 208.A N ALA 204.A O no hydrogen 2.818 N/A ASN 209.A N PHE 206.A O no hydrogen 3.316 N/A ASN 209.A ND2 ASN 245.A OD1 no hydrogen 3.681 N/A ASN 209.A ND2 GLN 247.A O.A no hydrogen 3.589 N/A ASN 209.A ND2 GLN 247.A O.B no hydrogen 3.683 N/A TYR 210.A N VAL 207.A O no hydrogen 3.396 N/A TYR 210.A OH LEU 312.A O no hydrogen 2.653 N/A GLU 214.A N THR 238.A O no hydrogen 2.834 N/A THR 216.A N GLN 236.A O no hydrogen 3.083 N/A SER 218.A N THR 234.A O no hydrogen 2.920 N/A SER 222.A OG ASP 223.A OD1 no hydrogen 3.247 N/A SER 224.A N ASN 221.A O no hydrogen 2.908 N/A SER 224.A OG ASP 223.A O no hydrogen 2.980 N/A SER 227.A OG PRO 295.A O no hydrogen 3.253 N/A GLY 228.A N THR 294.A O no hydrogen 3.041 N/A VAL 229.A N ILE 226.A O no hydrogen 3.215 N/A GLN 231.A N PHE 292.A O no hydrogen 2.851 N/A GLN 231.A NE2 ASN 221.A OD1 no hydrogen 3.462 N/A GLN 231.A NE2 LYS 232.A O no hydrogen 3.101 N/A ILE 233.A N LEU 290.A O no hydrogen 2.881 N/A THR 234.A N SER 218.A O no hydrogen 3.046 N/A ILE 235.A N TYR 288.A O no hydrogen 2.745 N/A GLN 236.A N THR 216.A O no hydrogen 2.908 N/A LEU 237.A N GLN 286.A O no hydrogen 2.775 N/A THR 238.A N GLU 214.A O no hydrogen 3.072 N/A ARG 239.A N GLU 284.A O no hydrogen 2.820 N/A ARG 239.A NE LEU 281.A O no hydrogen 3.109 N/A ARG 239.A NH1 GLU 259.A OE2 no hydrogen 2.713 N/A ARG 239.A NH1 LEU 281.A O no hydrogen 2.971 N/A GLN 247.A N.A ASN 245.A OD1 no hydrogen 3.109 N/A GLN 247.A N.B ASN 245.A OD1 no hydrogen 3.119 N/A GLN 247.A NE2.A ASP 256.A OD2 no hydrogen 2.970 N/A GLN 247.A NE2.B SER 10.A O no hydrogen 2.716 N/A VAL 248.A N LYS 257.A O no hydrogen 2.954 N/A THR 249.A N TYR 311.A OH no hydrogen 3.227 N/A THR 249.A OG1 ALA 205.A O no hydrogen 3.238 N/A SER 250.A N LEU 9.A O no hydrogen 3.098 N/A SER 250.A OG ILE 146.A O no hydrogen 2.664 N/A TYR 253.A N SER 250.A OG no hydrogen 2.988 N/A ASP 256.A N LEU 13.A O no hydrogen 2.714 N/A LYS 257.A NZ LEU 258.A O no hydrogen 2.827 N/A LYS 257.A NZ ASP 309.A OD1 no hydrogen 3.569 N/A LYS 257.A NZ ASP 309.A OD2 no hydrogen 2.859 N/A GLU 259.A N LEU 246.A O no hydrogen 2.854 N/A SER 260.A N ASP 309.A OD1 no hydrogen 3.051 N/A SER 260.A OG VAL 279.A O no hydrogen 3.359 N/A TRP 261.A N VAL 279.A O no hydrogen 2.911 N/A TRP 261.A NE1 GLU 259.A OE2 no hydrogen 2.825 N/A TRP 262.A N VAL 307.A O no hydrogen 2.865 N/A LEU 263.A N LYS 277.A O no hydrogen 2.803 N/A VAL 264.A N TRP 305.A O no hydrogen 2.899 N/A LEU 265.A N ALA 275.A O no hydrogen 3.090 N/A GLY 266.A N THR 303.A O no hydrogen 3.007 N/A GLU 267.A N GLU 272.A O no hydrogen 2.813 N/A LYS 270.A N GLU 267.A O no hydrogen 3.106 N/A LYS 271.A N VAL 268.A O no hydrogen 3.071 N/A GLU 272.A N GLU 267.A O no hydrogen 3.255 N/A LEU 273.A N GLY 131.A O no hydrogen 2.892 N/A TYR 274.A N LEU 265.A O no hydrogen 2.767 N/A TYR 274.A OH GLU 267.A OE1 no hydrogen 2.421 N/A ALA 275.A N LEU 265.A O no hydrogen 3.298 N/A LYS 277.A N LEU 263.A O no hydrogen 3.018 N/A LYS 278.A NZ ASN 121.A OD1 no hydrogen 3.262 N/A VAL 279.A N TRP 261.A O no hydrogen 2.868 N/A LYS 283.A N GLN 286.A OE1 no hydrogen 3.015 N/A GLN 286.A N LEU 237.A O no hydrogen 3.055 N/A GLN 286.A NE2 LEU 237.A O no hydrogen 2.830 N/A GLN 286.A NE2 LYS 283.A O no hydrogen 3.073 N/A TYR 288.A N ILE 235.A O no hydrogen 2.700 N/A LEU 290.A N ILE 233.A O no hydrogen 2.911 N/A PHE 292.A N GLN 231.A O no hydrogen 2.908 N/A THR 294.A N VAL 229.A O no hydrogen 3.081 N/A THR 294.A OG1 VAL 229.A O no hydrogen 2.626 N/A SER 297.A OG LYS 325.A O no hydrogen 2.903 N/A GLY 298.A N VAL 324.A O no hydrogen 3.181 N/A HIS 300.A N ILE 322.A O no hydrogen 3.032 N/A HIS 300.A ND1 GLU 267.A OE2 no hydrogen 3.123 N/A HIS 300.A NE2 THR 296.A O no hydrogen 2.799 N/A LEU 302.A N PHE 320.A O no hydrogen 2.909 N/A THR 303.A N GLY 266.A O no hydrogen 2.990 N/A THR 303.A OG1 SER 319.A OG no hydrogen 2.918 N/A ILE 304.A N LEU 318.A O no hydrogen 2.921 N/A TRP 305.A N VAL 264.A O no hydrogen 2.846 N/A CYS 306.A N.A LYS 316.A O no hydrogen 2.897 N/A CYS 306.A N.B LYS 316.A O no hydrogen 2.919 N/A CYS 306.A SG.B CYS 306.A O.B no hydrogen 2.920 N/A CYS 306.A SG.B LYS 316.A O no hydrogen 3.789 N/A VAL 307.A N TRP 262.A O no hydrogen 2.939 N/A CYS 308.A N ASP 315.A OD1 no hydrogen 2.935 N/A CYS 308.A SG SER 260.A O no hydrogen 3.819 N/A ASP 309.A N SER 260.A O no hydrogen 2.906 N/A SER 310.A OG ASP 309.A OD1 no hydrogen 2.691 N/A LEU 312.A N GLN 158.A OE1 no hydrogen 2.847 N/A LYS 316.A N CYS 306.A O.A no hydrogen 3.146 N/A LYS 316.A N CYS 306.A O.B no hydrogen 3.267 N/A LYS 316.A NZ VAL 213.A O no hydrogen 2.651 N/A LEU 318.A N ILE 304.A O no hydrogen 3.092 N/A SER 319.A OG THR 303.A OG1 no hydrogen 2.918 N/A PHE 320.A N LEU 302.A O no hydrogen 3.017 N/A ILE 322.A N HIS 300.A O no hydrogen 2.871 N/A VAL 324.A N GLY 298.A O no hydrogen 3.174 N/A LYS 325.A N LEU 225.A O no hydrogen 2.878 N/A LYS 325.A NZ ASP 223.A O no hydrogen 2.729 N/A