Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rah_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 4.A O no hydrogen 3.414 N/A GLN 5.A N ARG 22.A O no hydrogen 2.902 N/A VAL 7.A N LYS 20.A O no hydrogen 2.762 N/A GLU 8.A N LYS 20.A O no hydrogen 3.315 N/A ILE 10.A N VAL 18.A O no hydrogen 2.736 N/A GLY 11.A N VAL 18.A O no hydrogen 3.289 N/A GLY 13.A N GLY 16.A O no hydrogen 2.866 N/A GLY 16.A N GLY 13.A O no hydrogen 3.397 N/A VAL 18.A N GLY 11.A O no hydrogen 2.888 N/A TYR 19.A N LEU 32.A O no hydrogen 2.834 N/A LYS 20.A N GLU 8.A O no hydrogen 2.782 N/A ALA 21.A N VAL 30.A O no hydrogen 2.951 N/A ARG 22.A N GLN 5.A O no hydrogen 2.819 N/A ARG 22.A NH1 GLY 27.A O no hydrogen 2.982 N/A ASN 23.A N GLU 28.A O no hydrogen 2.808 N/A LYS 24.A N ASN 3.A O no hydrogen 3.117 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.674 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.990 N/A THR 26.A OG1 GLU 28.A OE2 no hydrogen 2.689 N/A GLY 27.A N ASN 23.A O no hydrogen 2.807 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.380 N/A VAL 30.A N ALA 21.A O no hydrogen 2.801 N/A ALA 31.A N PHE 72.A O no hydrogen 2.915 N/A LEU 32.A N TYR 19.A O no hydrogen 2.816 N/A LYS 33.A N LEU 70.A O no hydrogen 2.780 N/A LYS 33.A NZ ASP 137.A OD1 no hydrogen 2.691 N/A LYS 33.A NZ ASP 137.A OD2 no hydrogen 3.292 N/A LYS 34.A N VAL 17.A O no hydrogen 2.973 N/A ILE 35.A N LEU 68.A O no hydrogen 2.841 N/A ARG 36.A N TYR 15.A O no hydrogen 2.652 N/A ARG 42.A N SER 38.A O no hydrogen 3.215 N/A GLU 43.A N THR 39.A O no hydrogen 2.989 N/A ILE 44.A N ALA 40.A O no hydrogen 2.794 N/A SER 45.A N ILE 41.A O no hydrogen 2.943 N/A SER 45.A OG ILE 41.A O no hydrogen 2.608 N/A LEU 46.A N ARG 42.A O no hydrogen 3.288 N/A LEU 46.A N GLU 43.A O no hydrogen 3.109 N/A LEU 47.A N ILE 44.A O no hydrogen 2.860 N/A LYS 48.A N SER 45.A O no hydrogen 3.076 N/A GLU 49.A N LEU 46.A O no hydrogen 3.055 N/A LEU 50.A N LEU 47.A O no hydrogen 3.117 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.883 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.063 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 3.008 N/A ILE 55.A N HIS 52.A O no hydrogen 3.019 N/A VAL 56.A N LEU 135.A O no hydrogen 2.872 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.768 N/A LEU 59.A N VAL 71.A O no hydrogen 2.712 N/A ASP 60.A N VAL 71.A O no hydrogen 3.248 N/A VAL 61.A N ASP 60.A OD1 no hydrogen 2.877 N/A ILE 62.A N TYR 69.A O no hydrogen 2.932 N/A THR 64.A N LYS 67.A O no hydrogen 3.183 N/A LYS 67.A N THR 64.A O no hydrogen 2.736 N/A TYR 69.A N ILE 62.A O no hydrogen 2.907 N/A LEU 70.A N LYS 33.A O no hydrogen 2.824 N/A VAL 71.A N ASP 60.A O no hydrogen 2.911 N/A PHE 72.A N ALA 31.A O no hydrogen 2.849 N/A GLU 73.A N LYS 57.A O no hydrogen 2.967 N/A LEU 79.A N LEU 125.A O no hydrogen 2.799 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.686 N/A LYS 81.A NZ ASP 78.A OD2 no hydrogen 2.532 N/A PHE 82.A N ASP 78.A O no hydrogen 3.107 N/A MET 83.A N LEU 79.A O no hydrogen 2.821 N/A ASP 84.A N LYS 80.A O no hydrogen 3.060 N/A ALA 85.A N LYS 81.A O no hydrogen 2.806 N/A SER 86.A N PHE 82.A O no hydrogen 2.898 N/A SER 86.A N MET 83.A O no hydrogen 3.164 N/A SER 86.A OG PHE 82.A O no hydrogen 2.772 N/A ALA 87.A N ASP 84.A O no hydrogen 3.199 N/A GLY 90.A N SER 86.A O no hydrogen 2.569 N/A LEU 95.A N PRO 92.A O no hydrogen 2.908 N/A ILE 96.A N PRO 92.A O no hydrogen 2.986 N/A LYS 97.A N LEU 93.A O no hydrogen 2.836 N/A LYS 97.A NZ PHE 269.A O no hydrogen 2.820 N/A LYS 97.A NZ ASP 272.A OD1 no hydrogen 2.752 N/A SER 98.A N PRO 94.A O no hydrogen 3.013 N/A TYR 99.A N LEU 95.A O no hydrogen 2.920 N/A LEU 100.A N ILE 96.A O no hydrogen 2.899 N/A PHE 101.A N LYS 97.A O no hydrogen 2.917 N/A GLN 102.A N SER 98.A O no hydrogen 2.934 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.499 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.052 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.913 N/A LEU 103.A N TYR 99.A O no hydrogen 2.885 N/A LEU 104.A N LEU 100.A O no hydrogen 2.937 N/A GLN 105.A N PHE 101.A O no hydrogen 3.038 N/A GLN 105.A NE2 PHE 101.A O no hydrogen 3.687 N/A GLY 106.A N GLN 102.A O no hydrogen 2.949 N/A LEU 107.A N LEU 103.A O no hydrogen 2.907 N/A ALA 108.A N LEU 104.A O no hydrogen 2.743 N/A PHE 109.A N GLN 105.A O no hydrogen 2.986 N/A CYS 110.A N GLY 106.A O no hydrogen 3.016 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.564 N/A HIS 111.A N LEU 107.A O no hydrogen 2.790 N/A HIS 111.A NE2 ASP 169.A OD2 no hydrogen 2.881 N/A SER 112.A N ALA 108.A O no hydrogen 3.032 N/A SER 112.A OG ALA 108.A O no hydrogen 3.431 N/A SER 112.A OG PHE 109.A O no hydrogen 2.696 N/A HIS 113.A N PHE 109.A O no hydrogen 3.270 N/A HIS 113.A N CYS 110.A O no hydrogen 2.940 N/A ARG 114.A N HIS 111.A O no hydrogen 3.013 N/A VAL 115.A N CYS 110.A O no hydrogen 2.927 N/A HIS 117.A N ASP 169.A OD2 no hydrogen 2.868 N/A ARG 118.A N ASP 169.A OD1 no hydrogen 2.795 N/A LYS 121.A N ASN 124.A OD1 no hydrogen 3.046 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 3.134 N/A ASN 124.A N LYS 121.A O no hydrogen 2.933 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.941 N/A LEU 125.A N PRO 122.A O no hydrogen 3.227 N/A LEU 126.A N LYS 134.A O no hydrogen 2.823 N/A ILE 127.A N GLN 77.A O no hydrogen 2.810 N/A ASN 128.A N ALA 132.A O no hydrogen 3.246 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.993 N/A GLY 131.A N ASN 128.A O no hydrogen 3.380 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.095 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.113 N/A LYS 134.A N LEU 126.A O no hydrogen 2.775 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.135 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.443 N/A LEU 135.A N ASN 54.A O no hydrogen 2.915 N/A ALA 136.A N ASN 124.A O no hydrogen 2.973 N/A GLY 139.A N LEU 116.A O no hydrogen 2.805 N/A LEU 140.A N ASP 137.A O no hydrogen 3.316 N/A ARG 142.A NH1 GLU 43.A OE2 no hydrogen 2.908 N/A ALA 143.A N GLY 139.A O no hydrogen 3.367 N/A PHE 144.A N LEU 140.A O no hydrogen 2.804 N/A GLY 145.A N ALA 141.A O no hydrogen 2.688 N/A TRP 151.A N THR 149.A OG1 no hydrogen 3.403 N/A TRP 151.A NE1 GLY 189.A O no hydrogen 3.053 N/A TYR 152.A OH GLU 179.A OE1 no hydrogen 2.670 N/A ARG 153.A N LEU 150.A O no hydrogen 3.062 N/A ARG 153.A NH1 ASP 119.A OD1 no hydrogen 2.874 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.712 N/A ILE 157.A N ALA 154.A O no hydrogen 3.054 N/A LEU 158.A N ALA 154.A O no hydrogen 3.216 N/A LEU 159.A N PRO 155.A O no hydrogen 2.842 N/A GLY 160.A N ILE 157.A O no hydrogen 2.964 N/A CYS 161.A N GLU 156.A O no hydrogen 2.988 N/A CYS 161.A SG.A TYR 163.A O no hydrogen 3.602 N/A ALA 167.A N SER 165.A OG no hydrogen 3.127 N/A VAL 168.A N SER 165.A O no hydrogen 3.040 N/A ASP 169.A N THR 166.A O no hydrogen 3.159 N/A TRP 171.A N ALA 167.A O no hydrogen 3.063 N/A SER 172.A N VAL 168.A O no hydrogen 3.233 N/A SER 172.A OG TYR 152.A O no hydrogen 2.662 N/A SER 172.A OG VAL 168.A O no hydrogen 3.172 N/A LEU 173.A N ASP 169.A O no hydrogen 2.962 N/A GLY 174.A N ILE 170.A O no hydrogen 2.835 N/A CYS 175.A N TRP 171.A O no hydrogen 3.038 N/A CYS 175.A SG TRP 171.A O no hydrogen 3.540 N/A ILE 176.A N SER 172.A O no hydrogen 3.045 N/A PHE 177.A N LEU 173.A O no hydrogen 2.856 N/A ALA 178.A N GLY 174.A O no hydrogen 2.984 N/A GLU 179.A N CYS 175.A O no hydrogen 3.060 N/A MET 180.A N ILE 176.A O no hydrogen 2.914 N/A VAL 181.A N PHE 177.A O no hydrogen 3.171 N/A THR 182.A N ALA 178.A O no hydrogen 2.995 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.033 N/A THR 182.A OG1 ARG 184.A O no hydrogen 3.068 N/A ARG 183.A N GLU 179.A O no hydrogen 2.882 N/A ARG 183.A NE ALA 87.A O no hydrogen 3.366 N/A ARG 183.A NH2 ALA 87.A O no hydrogen 3.216 N/A GLY 189.A N PHE 187.A O no hydrogen 2.946 N/A GLY 189.A N GLN 195.A OE1 no hydrogen 2.861 N/A ASP 190.A N ASP 194.A OD2 no hydrogen 2.989 N/A ASP 194.A N SER 191.A OG no hydrogen 2.973 N/A GLN 195.A N SER 191.A O no hydrogen 2.832 N/A GLN 195.A NE2 PHE 187.A O no hydrogen 2.829 N/A LEU 196.A N GLU 192.A O no hydrogen 3.003 N/A PHE 197.A N ILE 193.A O no hydrogen 2.860 N/A ARG 198.A N ASP 194.A O no hydrogen 2.881 N/A ARG 198.A NE ASP 194.A OD2 no hydrogen 2.987 N/A ILE 199.A N GLN 195.A O no hydrogen 3.178 N/A PHE 200.A N LEU 196.A O no hydrogen 2.951 N/A ARG 201.A N PHE 197.A O no hydrogen 2.856 N/A THR 202.A N ARG 198.A O no hydrogen 3.316 N/A THR 202.A N ILE 199.A O no hydrogen 3.162 N/A THR 202.A OG1 ARG 198.A O no hydrogen 3.497 N/A LEU 203.A N ILE 199.A O no hydrogen 2.843 N/A THR 205.A N TRP 227.A O no hydrogen 2.973 N/A THR 205.A OG1 PRO 225.A O no hydrogen 2.694 N/A VAL 210.A N ASP 207.A OD1 no hydrogen 2.990 N/A TRP 211.A N ASP 207.A O no hydrogen 2.853 N/A GLY 213.A N GLU 208.A OE1 no hydrogen 2.752 N/A VAL 214.A N TRP 211.A O no hydrogen 2.928 N/A THR 215.A N GLU 208.A OE2 no hydrogen 3.004 N/A THR 215.A OG1 GLU 208.A OE2 no hydrogen 2.602 N/A SER 216.A N GLY 213.A O no hydrogen 3.083 N/A MET 217.A N VAL 214.A O no hydrogen 3.122 N/A ASP 219.A N LEU 159.A O no hydrogen 2.902 N/A TYR 220.A N MET 217.A O no hydrogen 3.152 N/A PHE 224.A N LYS 221.A O no hydrogen 2.969 N/A LYS 226.A NZ PHE 224.A O no hydrogen 2.712 N/A TRP 227.A N THR 205.A OG1 no hydrogen 2.899 N/A ARG 229.A NH1 LEU 203.A O no hydrogen 3.065 N/A GLN 230.A N THR 202.A O no hydrogen 2.881 N/A SER 233.A N ASP 231.A OD1 no hydrogen 3.217 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.760 N/A LYS 234.A N ASP 231.A O no hydrogen 3.015 N/A VAL 235.A N PHE 232.A O no hydrogen 3.107 N/A LEU 239.A N VAL 236.A O no hydrogen 2.889 N/A GLY 243.A N ASP 240.A OD1 no hydrogen 2.932 N/A ARG 244.A N ASP 240.A O no hydrogen 2.849 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 2.670 N/A SER 245.A N GLU 241.A O no hydrogen 2.843 N/A SER 245.A OG HIS 267.A NE2 no hydrogen 3.314 N/A LEU 246.A N ASP 242.A O no hydrogen 3.059 N/A LEU 247.A N GLY 243.A O no hydrogen 2.944 N/A SER 248.A N ARG 244.A O no hydrogen 2.910 N/A SER 248.A OG ARG 244.A O no hydrogen 3.518 N/A SER 248.A OG SER 245.A O no hydrogen 2.605 N/A GLN 249.A N SER 245.A O no hydrogen 3.140 N/A MET 250.A N LEU 246.A O no hydrogen 3.106 N/A MET 250.A N LEU 247.A O no hydrogen 2.967 N/A LEU 251.A N LEU 247.A O no hydrogen 2.979 N/A LEU 251.A N SER 248.A O no hydrogen 3.290 N/A HIS 252.A ND1 LYS 257.A O no hydrogen 3.249 N/A TYR 253.A OH GLY 204.A O no hydrogen 2.567 N/A ASN 256.A N ASP 254.A OD1 no hydrogen 3.001 N/A LYS 257.A N ASP 254.A O no hydrogen 2.850 N/A ARG 258.A N ASP 254.A O no hydrogen 3.189 N/A ARG 258.A N PRO 255.A O no hydrogen 3.305 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.831 N/A ARG 258.A NH1 GLU 156.A OE1 no hydrogen 3.459 N/A ARG 258.A NH1 GLU 156.A OE2 no hydrogen 2.858 N/A ARG 258.A NH1 ALA 167.A O no hydrogen 2.939 N/A ARG 258.A NH2 GLU 156.A OE1 no hydrogen 2.768 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 3.311 N/A ARG 258.A NH2 TYR 253.A O no hydrogen 2.872 N/A ILE 259.A N GLN 249.A O no hydrogen 3.019 N/A ALA 263.A N SER 260.A OG no hydrogen 2.974 N/A ALA 264.A N SER 260.A O no hydrogen 2.915 N/A LEU 265.A N ALA 261.A O no hydrogen 3.099 N/A ALA 266.A N ALA 263.A O no hydrogen 3.122 N/A HIS 267.A N ALA 264.A O no hydrogen 2.968 N/A HIS 267.A NE2 SER 245.A OG no hydrogen 3.314 N/A PHE 269.A N HIS 267.A ND1 no hydrogen 2.967 N/A PHE 270.A N HIS 267.A O no hydrogen 3.009 N/A GLN 271.A N PRO 268.A O no hydrogen 3.069 N/A VAL 273.A N PHE 270.A O no hydrogen 3.186 N/A