Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xmr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N VAL 17.A O no hydrogen 3.183 N/A THR 3.A OG1 THR 16.A OG1 no hydrogen 3.206 N/A HIS 4.A N PHE 15.A O no hydrogen 2.700 N/A VAL 6.A N VAL 13.A O no hydrogen 3.042 N/A THR 8.A N GLY 11.A O no hydrogen 3.106 N/A THR 8.A OG1 GLY 11.A O no hydrogen 2.561 N/A TYR 10.A N THR 8.A OG1 no hydrogen 3.153 N/A GLY 11.A N THR 8.A O no hydrogen 3.104 N/A VAL 13.A N VAL 6.A O no hydrogen 3.073 N/A PHE 15.A N HIS 4.A O no hydrogen 3.056 N/A THR 16.A N HIS 62.A O no hydrogen 2.941 N/A THR 16.A OG1 THR 3.A OG1 no hydrogen 3.206 N/A VAL 17.A N LYS 2.A O no hydrogen 2.829 N/A TYR 18.A N ARG 60.A O no hydrogen 2.960 N/A ARG 25.A N ALA 22.A O no hydrogen 3.288 N/A ARG 25.A NH1 MET 280.A O no hydrogen 3.492 N/A ARG 25.A NH2 MET 280.A O no hydrogen 2.891 N/A ALA 27.A N THR 102.A O no hydrogen 3.089 N/A ILE 28.A N VAL 59.A O no hydrogen 2.856 N/A LEU 29.A N ILE 104.A O no hydrogen 2.877 N/A THR 30.A N VAL 61.A O no hydrogen 2.856 N/A THR 30.A OG1 HIS 62.A ND1 no hydrogen 2.874 N/A TYR 31.A N VAL 106.A O no hydrogen 3.048 N/A HIS 32.A ND1 ASP 33.A O no hydrogen 2.921 N/A VAL 34.A N ASP 33.A OD1 no hydrogen 2.767 N/A LEU 36.A N ASP 33.A O no hydrogen 3.194 N/A ASN 37.A N SER 40.A OG no hydrogen 2.960 N/A ASN 37.A ND2 MET 68.A O no hydrogen 2.847 N/A ASN 37.A ND2 GLU 70.A OE2 no hydrogen 3.108 N/A TYR 38.A N ASP 64.A OD1 no hydrogen 2.859 N/A SER 40.A N ASN 37.A OD1 no hydrogen 3.205 N/A SER 40.A OG ASN 37.A OD1 no hydrogen 3.358 N/A CYS 41.A N ASN 37.A O no hydrogen 2.938 N/A CYS 41.A N TYR 38.A O no hydrogen 3.245 N/A CYS 41.A SG GLN 259.A OE1 no hydrogen 3.563 N/A PHE 42.A N TYR 38.A O no hydrogen 2.797 N/A GLN 43.A N TYR 38.A O no hydrogen 3.216 N/A PHE 46.A N PHE 42.A O no hydrogen 2.872 N/A GLN 47.A N GLN 43.A O no hydrogen 2.857 N/A PHE 48.A N PRO 44.A O no hydrogen 3.182 N/A PHE 48.A N LEU 45.A O no hydrogen 3.220 N/A GLN 52.A N PHE 48.A O no hydrogen 2.923 N/A GLU 53.A N GLU 49.A O no hydrogen 3.063 N/A ILE 54.A N ASP 50.A O no hydrogen 3.460 N/A ILE 55.A N MET 51.A O no hydrogen 2.999 N/A GLN 56.A N GLN 52.A O no hydrogen 3.212 N/A GLN 56.A NE2 GLU 53.A O no hydrogen 2.661 N/A ASN 57.A N ILE 54.A O no hydrogen 3.400 N/A PHE 58.A N ILE 55.A O no hydrogen 2.875 N/A ARG 60.A N TYR 18.A O no hydrogen 2.849 N/A ARG 60.A NH1 PHE 58.A O no hydrogen 3.126 N/A VAL 61.A N ILE 28.A O no hydrogen 2.705 N/A HIS 62.A N THR 16.A O no hydrogen 2.811 N/A HIS 62.A ND1 THR 30.A OG1 no hydrogen 2.874 N/A VAL 63.A N THR 30.A O no hydrogen 3.031 N/A ASP 64.A N THR 14.A O no hydrogen 3.019 N/A ALA 65.A N HIS 32.A NE2 no hydrogen 2.820 N/A MET 68.A N ALA 65.A O no hydrogen 3.018 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.766 N/A ALA 72.A N GLU 69.A O no hydrogen 3.032 N/A PHE 75.A N ASN 192.A OD1 no hydrogen 2.934 N/A TYR 79.A N PRO 76.A O no hydrogen 3.247 N/A TYR 81.A OH PRO 66.A O no hydrogen 2.718 N/A SER 83.A N GLN 86.A OE1 no hydrogen 2.978 N/A GLN 86.A N SER 83.A OG no hydrogen 3.112 N/A LEU 87.A N SER 83.A O no hydrogen 2.955 N/A ALA 88.A N LEU 84.A O no hydrogen 2.978 N/A ASP 89.A N ASP 85.A O no hydrogen 3.098 N/A MET 90.A N LEU 87.A O no hydrogen 3.249 N/A ILE 91.A N ALA 88.A O no hydrogen 3.319 N/A CYS 93.A N MET 90.A O no hydrogen 3.207 N/A CYS 93.A SG GLU 7.A O no hydrogen 3.996 N/A VAL 94.A N MET 90.A O no hydrogen 3.364 N/A LEU 95.A N ILE 91.A O no hydrogen 2.961 N/A GLN 96.A N PRO 92.A O no hydrogen 2.931 N/A TYR 97.A N CYS 93.A O no hydrogen 2.980 N/A LEU 98.A N VAL 94.A O no hydrogen 3.152 N/A ASN 99.A N GLN 96.A O no hydrogen 3.088 N/A PHE 100.A N LEU 95.A O no hydrogen 2.880 N/A THR 102.A OG1 GLU 127.A OE2 no hydrogen 2.604 N/A ILE 103.A N THR 125.A O no hydrogen 2.834 N/A ILE 104.A N ALA 27.A O no hydrogen 2.880 N/A GLY 105.A N GLY 128.A O no hydrogen 3.062 N/A VAL 106.A N LEU 29.A O no hydrogen 2.831 N/A GLY 107.A N VAL 130.A O no hydrogen 3.020 N/A VAL 108.A N TYR 31.A O no hydrogen 3.191 N/A GLY 109.A N ILE 132.A O no hydrogen 2.808 N/A ALA 110.A N ASP 33.A OD1 no hydrogen 2.929 N/A GLY 111.A N VAL 108.A O no hydrogen 2.828 N/A TYR 113.A N GLY 109.A O no hydrogen 3.044 N/A TYR 113.A OH ARG 204.A O no hydrogen 2.662 N/A ILE 114.A N ALA 110.A O no hydrogen 3.089 N/A LEU 115.A N GLY 111.A O no hydrogen 3.164 N/A ALA 116.A N ALA 112.A O no hydrogen 3.062 N/A ARG 117.A N TYR 113.A O no hydrogen 2.881 N/A ARG 117.A NE ASP 85.A OD1 no hydrogen 2.900 N/A ARG 117.A NH2 TYR 113.A OH no hydrogen 3.221 N/A ARG 117.A NH2 ASP 205.A O no hydrogen 3.009 N/A TYR 118.A N ILE 114.A O no hydrogen 2.927 N/A TYR 118.A OH THR 125.A OG1 no hydrogen 2.682 N/A ALA 119.A N LEU 115.A O no hydrogen 2.837 N/A LEU 120.A N ALA 116.A O no hydrogen 2.994 N/A ASN 121.A N ARG 117.A O no hydrogen 3.047 N/A HIS 122.A N TYR 118.A O no hydrogen 2.882 N/A THR 125.A N HIS 122.A O no hydrogen 3.135 N/A THR 125.A OG1 TYR 118.A OH no hydrogen 2.682 N/A THR 125.A OG1 HIS 122.A O no hydrogen 2.995 N/A VAL 126.A N PRO 123.A O no hydrogen 3.431 N/A GLU 127.A N ILE 103.A O no hydrogen 2.946 N/A LEU 129.A N PRO 219.A O no hydrogen 3.023 N/A VAL 130.A N GLY 105.A O no hydrogen 2.774 N/A LEU 131.A N MET 221.A O no hydrogen 2.791 N/A ILE 132.A N GLY 107.A O no hydrogen 2.974 N/A ASN 133.A N VAL 223.A O no hydrogen 2.891 N/A ASN 133.A ND2 GLY 256.A O no hydrogen 2.779 N/A ASN 137.A N ASP 135.A OD1 no hydrogen 3.210 N/A ALA 138.A N ASP 205.A OD1 no hydrogen 2.824 N/A TRP 144.A N GLY 140.A O no hydrogen 2.848 N/A ALA 145.A N TRP 141.A O no hydrogen 3.057 N/A ALA 146.A N MET 142.A O no hydrogen 3.171 N/A HIS 147.A N ASP 143.A O no hydrogen 2.998 N/A LYS 148.A N TRP 144.A O no hydrogen 2.935 N/A LEU 149.A N ALA 145.A O no hydrogen 3.091 N/A THR 150.A N ALA 146.A O no hydrogen 2.994 N/A THR 150.A OG1 ALA 146.A O no hydrogen 2.945 N/A GLY 151.A N HIS 147.A O no hydrogen 2.991 N/A LEU 152.A N LEU 149.A O no hydrogen 2.931 N/A THR 153.A N THR 150.A O no hydrogen 3.105 N/A SER 154.A N THR 150.A O no hydrogen 2.948 N/A SER 155.A N GLU 158.A OE2 no hydrogen 2.887 N/A SER 155.A OG GLU 158.A OE2 no hydrogen 3.195 N/A GLU 158.A N SER 155.A OG no hydrogen 3.164 N/A MET 159.A N SER 155.A O no hydrogen 2.964 N/A ILE 160.A N ILE 156.A O no hydrogen 2.857 N/A LEU 161.A N PRO 157.A O no hydrogen 2.944 N/A GLY 162.A N GLU 158.A O no hydrogen 3.085 N/A HIS 163.A N MET 159.A O no hydrogen 3.262 N/A HIS 163.A N ILE 160.A O no hydrogen 3.024 N/A HIS 163.A NE2 ASP 33.A OD1 no hydrogen 2.843 N/A LEU 164.A N ILE 160.A O no hydrogen 3.068 N/A PHE 165.A N LEU 161.A O no hydrogen 2.871 N/A SER 166.A N GLU 169.A OE1 no hydrogen 2.874 N/A SER 166.A OG GLU 169.A OE1 no hydrogen 3.282 N/A GLU 169.A N SER 166.A OG no hydrogen 3.207 N/A LEU 170.A N SER 166.A O no hydrogen 3.126 N/A SER 171.A N GLN 167.A O no hydrogen 3.119 N/A SER 171.A OG GLN 167.A O no hydrogen 3.263 N/A SER 171.A OG GLU 168.A O no hydrogen 3.140 N/A GLY 172.A N GLU 168.A O no hydrogen 2.830 N/A ASN 173.A N GLU 169.A O no hydrogen 3.027 N/A ILE 177.A N SER 174.A OG no hydrogen 3.392 N/A GLN 178.A N SER 174.A O no hydrogen 3.026 N/A GLN 178.A NE2 ASN 173.A O no hydrogen 2.818 N/A LYS 179.A N GLU 175.A O no hydrogen 3.024 N/A TYR 180.A N LEU 176.A O no hydrogen 3.030 N/A TYR 180.A OH SER 40.A O no hydrogen 2.637 N/A ARG 181.A N ILE 177.A O no hydrogen 2.704 N/A ARG 181.A NH2 ASN 173.A OD1 no hydrogen 2.748 N/A ASN 182.A N GLN 178.A O no hydrogen 3.118 N/A ILE 183.A N LYS 179.A O no hydrogen 2.988 N/A ILE 184.A N TYR 180.A O no hydrogen 3.130 N/A THR 185.A N ARG 181.A O no hydrogen 2.895 N/A THR 185.A OG1 ARG 181.A O no hydrogen 2.738 N/A HIS 186.A N ASN 182.A O no hydrogen 3.155 N/A ALA 187.A N ILE 184.A O no hydrogen 3.070 N/A ASN 189.A ND2 GLY 67.A O no hydrogen 2.791 N/A LEU 190.A N ALA 187.A O no hydrogen 3.090 N/A ASN 192.A N ASN 189.A O no hydrogen 2.891 N/A ASN 192.A ND2 GLY 67.A O no hydrogen 2.944 N/A ASN 192.A ND2 PRO 73.A O no hydrogen 3.056 N/A ILE 193.A N ASN 189.A O no hydrogen 3.190 N/A GLU 194.A N LEU 190.A O no hydrogen 3.035 N/A TYR 196.A N ASN 192.A O no hydrogen 3.266 N/A TYR 196.A OH HIS 32.A O no hydrogen 2.917 N/A TRP 197.A N ILE 193.A O no hydrogen 2.843 N/A ASN 198.A N GLU 194.A O no hydrogen 2.894 N/A SER 199.A N LEU 195.A O no hydrogen 2.953 N/A SER 199.A OG PRO 82.A O no hydrogen 2.627 N/A TYR 200.A N TYR 196.A O no hydrogen 2.825 N/A ASN 201.A N ASN 198.A O no hydrogen 3.094 N/A ASN 202.A N SER 199.A O no hydrogen 3.101 N/A ASN 202.A ND2 ASN 198.A O no hydrogen 2.607 N/A ARG 203.A N TYR 200.A O no hydrogen 3.376 N/A ARG 203.A NE ASP 135.A O no hydrogen 3.110 N/A ARG 203.A NH1 TYR 200.A O no hydrogen 3.122 N/A ARG 204.A NE ASP 85.A OD2 no hydrogen 2.426 N/A LEU 206.A N PRO 136.A O no hydrogen 2.808 N/A ARG 210.A NE SER 239.A O no hydrogen 3.107 N/A ARG 210.A NH2 SER 239.A O no hydrogen 3.068 N/A GLY 212.A N GLU 209.A O no hydrogen 2.877 N/A CYS 218.A SG PRO 219.A O no hydrogen 3.556 N/A VAL 220.A N GLN 245.A O no hydrogen 2.950 N/A MET 221.A N LEU 129.A O no hydrogen 2.774 N/A LEU 222.A N SER 247.A O no hydrogen 2.834 N/A VAL 223.A N LEU 131.A O no hydrogen 2.918 N/A VAL 224.A N LEU 249.A O no hydrogen 3.080 N/A ASP 226.A N MET 251.A O no hydrogen 2.907 N/A GLN 227.A N GLU 231.A OE1 no hydrogen 2.724 N/A ALA 228.A N GLY 225.A O no hydrogen 3.169 N/A HIS 230.A NE2 HIS 163.A ND1 no hydrogen 3.147 N/A HIS 230.A NE2 HIS 163.A O no hydrogen 3.111 N/A GLU 231.A N ALA 228.A O no hydrogen 3.113 N/A VAL 234.A N HIS 230.A O no hydrogen 2.961 N/A VAL 235.A N GLU 231.A O no hydrogen 2.842 N/A GLU 236.A N ASP 232.A O no hydrogen 2.953 N/A CYS 237.A N ALA 233.A O no hydrogen 2.909 N/A ASN 238.A N VAL 234.A O no hydrogen 2.921 N/A SER 239.A N GLU 236.A O no hydrogen 3.029 N/A SER 239.A OG GLU 236.A O no hydrogen 2.451 N/A LYS 240.A N CYS 237.A O no hydrogen 2.897 N/A LYS 240.A NZ GLU 236.A OE2 no hydrogen 2.668 N/A THR 244.A N ASP 242.A OD1 no hydrogen 3.315 N/A THR 244.A OG1 ASP 242.A OD1 no hydrogen 2.870 N/A THR 244.A OG1 ASP 242.A OD2 no hydrogen 3.395 N/A GLN 245.A N ASP 242.A O no hydrogen 3.051 N/A THR 246.A OG1 ASP 242.A O no hydrogen 2.669 N/A SER 247.A N VAL 220.A O no hydrogen 2.927 N/A LEU 249.A N LEU 222.A O no hydrogen 2.699 N/A LYS 250.A NZ GLU 231.A OE2 no hydrogen 3.357 N/A MET 251.A N VAL 224.A O no hydrogen 2.877 N/A SER 254.A OG MET 251.A O no hydrogen 3.430 N/A SER 254.A OG GLY 255.A O no hydrogen 3.527 N/A GLY 256.A N GLU 169.A OE1 no hydrogen 2.851 N/A LEU 260.A N GLN 257.A O no hydrogen 2.889 N/A THR 261.A N GLN 257.A O no hydrogen 3.188 N/A THR 261.A OG1 SER 254.A O no hydrogen 2.578 N/A GLN 262.A N PRO 258.A O no hydrogen 2.800 N/A LEU 266.A N GLN 262.A O no hydrogen 3.046 N/A THR 267.A N PRO 263.A O no hydrogen 2.758 N/A THR 267.A OG1 PRO 263.A O no hydrogen 2.862 N/A GLU 268.A N GLY 264.A O no hydrogen 3.177 N/A ALA 269.A N LYS 265.A O no hydrogen 2.960 N/A PHE 270.A N LEU 266.A O no hydrogen 2.918 N/A LYS 271.A N THR 267.A O no hydrogen 2.967 N/A TYR 272.A N GLU 268.A O no hydrogen 3.134 N/A TYR 272.A OH GLU 268.A OE2 no hydrogen 2.710 N/A PHE 273.A N ALA 269.A O no hydrogen 2.722 N/A LEU 274.A N PHE 270.A O no hydrogen 2.864 N/A GLN 275.A N LYS 271.A O no hydrogen 3.125 N/A GLY 276.A N TYR 272.A O no hydrogen 2.908 N/A MET 277.A N PHE 273.A O no hydrogen 3.000 N/A GLY 278.A N GLN 275.A O no hydrogen 2.974 N/A TYR 279.A N LEU 274.A O no hydrogen 2.956 N/A TYR 279.A OH GLU 127.A OE1 no hydrogen 2.778 N/A