Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xie_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 197.A O no hydrogen 2.902 N/A ASN 5.A ND2 HIS 222.A NE2 no hydrogen 2.915 N/A LEU 6.A N PRO 3.A O no hydrogen 3.066 N/A GLU 7.A N PRO 3.A O no hydrogen 3.341 N/A ARG 8.A N TRP 4.A O no hydrogen 2.882 N/A ARG 8.A NH1 ALA 172.A O no hydrogen 2.811 N/A ARG 8.A NH1 ASP 174.A OD1 no hydrogen 2.989 N/A ARG 8.A NH2 ALA 172.A O no hydrogen 2.886 N/A ILE 9.A N ASN 5.A O no hydrogen 3.239 N/A THR 10.A N GLU 7.A O no hydrogen 3.118 N/A THR 10.A OG1 LEU 6.A O no hydrogen 2.757 N/A LEU 17.A N SER 232.A OG no hydrogen 3.014 N/A VAL 18.A N GLY 15.A O no hydrogen 3.162 N/A GLU 19.A N PRO 113.A O no hydrogen 3.252 N/A VAL 20.A N SER 77.A O no hydrogen 2.881 N/A TYR 21.A N VAL 115.A O no hydrogen 2.803 N/A LEU 22.A N ARG 79.A O no hydrogen 2.886 N/A LEU 23.A N LEU 117.A O no hydrogen 3.233 N/A ASP 24.A N LEU 81.A O no hydrogen 3.068 N/A THR 25.A N ASP 24.A OD1 no hydrogen 2.694 N/A THR 25.A OG1 SER 26.A O no hydrogen 2.923 N/A GLN 28.A N THR 59.A OG1 no hydrogen 2.911 N/A GLN 28.A NE2 SER 204.A O no hydrogen 3.125 N/A HIS 31.A N GLN 28.A O no hydrogen 3.168 N/A HIS 31.A NE2 CYS 209.A O no hydrogen 2.849 N/A ARG 32.A N SER 207.A O no hydrogen 2.865 N/A GLU 33.A N HIS 31.A ND1 no hydrogen 2.999 N/A ILE 34.A N HIS 31.A O no hydrogen 3.046 N/A GLU 35.A N HIS 31.A O no hydrogen 2.825 N/A ARG 37.A N ILE 34.A O no hydrogen 2.959 N/A ARG 37.A NH2 SER 66.A O no hydrogen 2.877 N/A MET 39.A N MET 78.A O no hydrogen 2.818 N/A THR 41.A N SER 80.A O no hydrogen 3.063 N/A THR 41.A OG1 SER 80.A O no hydrogen 2.718 N/A PHE 43.A N THR 41.A OG1 no hydrogen 3.229 N/A ASN 45.A N ARG 82.A O no hydrogen 2.984 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 3.095 N/A ASP 50.A N GLN 87.A OE1 no hydrogen 3.026 N/A ASP 55.A N ALA 51.A O no hydrogen 3.212 N/A SER 56.A N LYS 53.A O no hydrogen 3.248 N/A HIS 57.A ND1 ASP 24.A OD1 no hydrogen 2.555 N/A HIS 57.A NE2 SER 217.A OG.A no hydrogen 3.079 N/A GLY 58.A N THR 25.A OG1 no hydrogen 2.857 N/A THR 59.A N ASP 55.A O no hydrogen 3.161 N/A THR 59.A OG1 ASP 55.A O no hydrogen 2.642 N/A HIS 60.A N SER 56.A O no hydrogen 3.213 N/A HIS 60.A NE2 ILE 199.A O no hydrogen 2.819 N/A HIS 60.A NE2 VAL 211.A O no hydrogen 3.121 N/A LEU 61.A N HIS 57.A O no hydrogen 3.154 N/A ALA 62.A N GLY 58.A O no hydrogen 2.908 N/A GLY 63.A N THR 59.A O no hydrogen 3.133 N/A VAL 64.A N HIS 60.A O no hydrogen 2.950 N/A VAL 65.A N LEU 61.A O no hydrogen 3.058 N/A SER 66.A N ALA 62.A O no hydrogen 3.024 N/A SER 66.A OG ALA 62.A O no hydrogen 3.121 N/A GLY 67.A N GLY 63.A O no hydrogen 2.817 N/A ARG 68.A N GLU 33.A O no hydrogen 3.005 N/A ARG 68.A NH1 ARG 32.A O no hydrogen 3.145 N/A ARG 68.A NH1 GLU 35.A O no hydrogen 2.770 N/A ARG 68.A NH2 GLU 35.A O no hydrogen 2.794 N/A ASP 69.A N GLU 33.A OE1 no hydrogen 2.877 N/A ALA 70.A N GLU 33.A OE2 no hydrogen 2.833 N/A GLY 71.A N GLY 67.A O no hydrogen 2.943 N/A VAL 72.A N VAL 64.A O no hydrogen 2.922 N/A ALA 73.A N VAL 65.A O no hydrogen 2.785 N/A LYS 74.A NZ GLY 71.A O no hydrogen 2.755 N/A GLY 75.A N GLY 14.A O no hydrogen 2.896 N/A ALA 76.A N ALA 73.A O no hydrogen 3.087 N/A SER 77.A N VAL 18.A O no hydrogen 3.499 N/A MET 78.A N ARG 37.A O no hydrogen 2.865 N/A ARG 79.A N VAL 20.A O no hydrogen 3.000 N/A ARG 79.A NE GLU 19.A OE1 no hydrogen 2.880 N/A SER 80.A N MET 39.A O no hydrogen 2.985 N/A LEU 81.A N LEU 22.A O no hydrogen 2.873 N/A ARG 82.A N PHE 43.A O no hydrogen 3.046 N/A ARG 82.A NE LEU 84.A O no hydrogen 3.384 N/A ARG 82.A NH2 GLU 44.A OE1 no hydrogen 2.896 N/A VAL 83.A N ASP 24.A O no hydrogen 2.917 N/A LEU 84.A N ASP 24.A O no hydrogen 3.105 N/A ASN 85.A N LYS 89.A O no hydrogen 2.816 N/A ASN 85.A ND2 PRO 47.A O no hydrogen 3.117 N/A ASN 85.A ND2 GLU 48.A O no hydrogen 3.650 N/A CYS 86.A N GLU 49.A OE2 no hydrogen 2.859 N/A CYS 86.A SG GLU 49.A OE2 no hydrogen 3.357 N/A GLN 87.A N ASN 85.A OD1 no hydrogen 2.913 N/A GLN 87.A NE2 ASP 50.A O no hydrogen 3.485 N/A GLY 88.A N ASN 85.A O no hydrogen 2.937 N/A LYS 89.A N ASN 85.A OD1 no hydrogen 2.987 N/A LYS 89.A NZ ASP 50.A OD2 no hydrogen 3.435 N/A THR 91.A OG1 SER 93.A OG no hydrogen 3.215 N/A SER 93.A OG THR 91.A OG1 no hydrogen 3.215 N/A GLY 94.A N THR 91.A OG1 no hydrogen 2.866 N/A THR 95.A N THR 91.A O no hydrogen 3.048 N/A THR 95.A OG1 THR 91.A O no hydrogen 2.929 N/A LEU 96.A N VAL 92.A O no hydrogen 2.885 N/A ILE 97.A N SER 93.A O no hydrogen 2.935 N/A GLY 98.A N GLY 94.A O no hydrogen 2.920 N/A LEU 99.A N THR 95.A O no hydrogen 2.896 N/A GLU 100.A N LEU 96.A O no hydrogen 3.031 N/A PHE 101.A N ILE 97.A O no hydrogen 2.943 N/A ILE 102.A N GLY 98.A O no hydrogen 3.028 N/A ARG 103.A N LEU 99.A O no hydrogen 3.228 N/A ARG 103.A NH1 GLN 106.A OE1 no hydrogen 2.899 N/A LYS 104.A N GLU 100.A O no hydrogen 2.912 N/A SER 105.A N PHE 101.A O no hydrogen 2.920 N/A SER 105.A OG PHE 101.A O no hydrogen 2.793 N/A GLN 106.A N ILE 102.A O no hydrogen 2.965 N/A LEU 107.A N ARG 103.A O no hydrogen 3.030 N/A VAL 108.A N LYS 104.A O no hydrogen 3.122 N/A GLN 109.A N SER 105.A O no hydrogen 3.068 N/A VAL 115.A N GLU 19.A O no hydrogen 3.002 N/A VAL 116.A N VAL 141.A O no hydrogen 2.752 N/A LEU 117.A N TYR 21.A O no hydrogen 2.811 N/A LEU 118.A N VAL 143.A O no hydrogen 2.841 N/A GLY 122.A N SER 157.A O no hydrogen 2.894 N/A TYR 124.A N LEU 155.A O no hydrogen 3.016 N/A SER 125.A N SER 157.A OG no hydrogen 2.920 N/A LEU 128.A N SER 125.A OG no hydrogen 2.980 N/A ASN 129.A N SER 125.A O no hydrogen 3.024 N/A ASN 129.A ND2 SER 160.A OG no hydrogen 2.896 N/A ALA 130.A N ARG 126.A O no hydrogen 2.921 N/A ALA 131.A N VAL 127.A O no hydrogen 2.877 N/A CYS 132.A N LEU 128.A O no hydrogen 2.979 N/A CYS 132.A SG LEU 128.A O no hydrogen 3.370 N/A GLN 133.A N ASN 129.A O no hydrogen 2.887 N/A GLN 133.A NE2 GLU 163.A OE2 no hydrogen 2.685 N/A ARG 134.A N ALA 130.A O no hydrogen 2.912 N/A LEU 135.A N ALA 131.A O no hydrogen 3.011 N/A ALA 136.A N CYS 132.A O no hydrogen 2.912 N/A ARG 137.A N GLN 133.A O no hydrogen 2.904 N/A ALA 138.A N ARG 134.A O no hydrogen 2.973 N/A GLY 139.A N ALA 136.A O no hydrogen 2.919 N/A VAL 140.A N LEU 135.A O no hydrogen 3.308 N/A VAL 141.A N LEU 114.A O no hydrogen 3.087 N/A VAL 143.A N VAL 116.A O no hydrogen 2.875 N/A THR 144.A N ILE 165.A O no hydrogen 2.870 N/A THR 144.A OG1 LEU 118.A O no hydrogen 2.761 N/A ALA 145.A N LEU 118.A O no hydrogen 3.242 N/A ALA 146.A N VAL 167.A O no hydrogen 2.898 N/A GLY 147.A N THR 216.A OG1 no hydrogen 3.047 N/A PHE 149.A N ASN 185.A OD1 no hydrogen 3.076 N/A ARG 150.A N GLY 183.A O no hydrogen 2.898 N/A ARG 150.A NH1 THR 181.A O no hydrogen 3.450 N/A ASP 151.A N ASN 185.A OD1 no hydrogen 2.866 N/A ASP 152.A N ASP 151.A OD1 no hydrogen 2.822 N/A ALA 153.A N PHE 186.A O no hydrogen 2.914 N/A CYS 154.A N ASP 152.A OD1 no hydrogen 2.911 N/A CYS 154.A SG ASP 152.A OD1 no hydrogen 3.317 N/A LEU 155.A N ASP 152.A O no hydrogen 3.131 N/A TYR 156.A N ALA 153.A O no hydrogen 3.060 N/A TYR 156.A OH ASP 151.A OD2 no hydrogen 2.657 N/A SER 157.A N GLY 122.A O no hydrogen 2.901 N/A SER 157.A OG ASN 129.A OD1 no hydrogen 2.609 N/A SER 157.A OG SER 160.A OG no hydrogen 3.159 N/A SER 160.A N TYR 156.A O no hydrogen 2.870 N/A SER 160.A OG TYR 156.A O no hydrogen 2.746 N/A SER 160.A OG SER 157.A OG no hydrogen 3.159 N/A ALA 161.A N PRO 158.A O no hydrogen 2.983 N/A VAL 164.A N ALA 161.A O no hydrogen 3.263 N/A ILE 165.A N LEU 142.A O no hydrogen 2.876 N/A THR 166.A N ASP 191.A OD2 no hydrogen 2.784 N/A THR 166.A OG1 ALA 159.A O no hydrogen 2.851 N/A THR 166.A OG1 VAL 164.A O no hydrogen 3.565 N/A VAL 167.A N THR 144.A O no hydrogen 2.937 N/A GLY 168.A N LEU 192.A O no hydrogen 2.881 N/A ALA 169.A N THR 184.A OG1 no hydrogen 3.032 N/A THR 170.A N ALA 194.A O no hydrogen 2.990 N/A ASN 171.A N GLN 175.A O no hydrogen 2.853 N/A GLN 173.A N ASN 171.A OD1 no hydrogen 2.933 N/A ASP 174.A N ASN 171.A O no hydrogen 2.831 N/A GLN 175.A N ASN 171.A OD1 no hydrogen 2.957 N/A GLN 175.A NE2 GLN 173.A O no hydrogen 2.834 N/A GLN 175.A NE2 VAL 254.A O no hydrogen 3.399 N/A VAL 177.A N ALA 169.A O no hydrogen 3.018 N/A LEU 179.A N LEU 182.A O no hydrogen 2.913 N/A LEU 182.A N LEU 179.A O no hydrogen 2.938 N/A THR 184.A N VAL 177.A O no hydrogen 2.933 N/A THR 184.A OG1 ASN 185.A O no hydrogen 2.933 N/A ASN 185.A N GLY 147.A O no hydrogen 2.848 N/A ASN 185.A ND2 ALA 146.A O no hydrogen 2.840 N/A PHE 186.A N ASP 151.A O no hydrogen 3.015 N/A GLY 187.A N THR 268.A OG1 no hydrogen 2.882 N/A VAL 190.A N GLY 187.A O no hydrogen 3.151 N/A ASP 191.A N THR 166.A O no hydrogen 2.857 N/A PHE 193.A N LEU 271.A O no hydrogen 2.854 N/A ALA 194.A N GLY 168.A O no hydrogen 2.949 N/A GLY 196.A N THR 170.A O no hydrogen 2.860 N/A ASP 198.A N SER 214.A OG no hydrogen 2.957 N/A ILE 199.A N GLN 213.A O no hydrogen 2.872 N/A GLY 201.A N VAL 211.A O no hydrogen 2.998 N/A SER 203.A N CYS 209.A O no hydrogen 2.892 N/A SER 204.A OG SER 52.A O no hydrogen 2.592 N/A SER 204.A OG ASP 55.A OD1 no hydrogen 2.877 N/A ASP 205.A N SER 203.A OG no hydrogen 3.225 N/A CYS 209.A N CYS 206.A O no hydrogen 3.114 N/A VAL 211.A N GLY 201.A O no hydrogen 2.913 N/A GLN 213.A N ILE 199.A O no hydrogen 3.018 N/A GLN 213.A NE2 SER 56.A OG no hydrogen 3.357 N/A GLY 215.A N GLY 196.A O no hydrogen 2.864 N/A THR 216.A N ASN 148.A OD1 no hydrogen 2.925 N/A THR 216.A OG1 ASN 148.A OD1 no hydrogen 2.762 N/A SER 217.A OG.A HIS 57.A NE2 no hydrogen 3.079 N/A SER 217.A OG.A PRO 119.A O no hydrogen 2.887 N/A SER 217.A OG.B HIS 57.A NE2 no hydrogen 3.297 N/A SER 217.A OG.B GLN 218.A OE1 no hydrogen 2.979 N/A GLN 218.A NE2 HIS 60.A ND1 no hydrogen 3.169 N/A GLN 218.A NE2 GLN 213.A OE1 no hydrogen 3.195 N/A ALA 219.A N GLY 215.A O no hydrogen 3.357 N/A ALA 220.A N THR 216.A O no hydrogen 2.908 N/A ALA 221.A N SER 217.A O no hydrogen 2.882 N/A HIS 222.A N GLN 218.A O no hydrogen 3.078 N/A HIS 222.A ND1 GLN 218.A O no hydrogen 2.846 N/A VAL 223.A N ALA 219.A O no hydrogen 3.174 N/A ALA 224.A N ALA 220.A O no hydrogen 2.852 N/A GLY 225.A N ALA 221.A O no hydrogen 3.023 N/A ILE 226.A N HIS 222.A O no hydrogen 2.910 N/A ALA 227.A N VAL 223.A O no hydrogen 2.799 N/A ALA 228.A N ALA 224.A O no hydrogen 2.925 N/A MET 229.A N GLY 225.A O no hydrogen 3.001 N/A MET 230.A N ILE 226.A O no hydrogen 2.882 N/A LEU 231.A N ALA 227.A O no hydrogen 2.837 N/A SER 232.A N ALA 228.A O no hydrogen 2.938 N/A ALA 233.A N MET 229.A O no hydrogen 3.128 N/A GLU 234.A N MET 230.A O no hydrogen 2.911 N/A LEU 237.A N GLU 234.A O no hydrogen 3.196 N/A THR 238.A N GLU 241.A OE1 no hydrogen 3.055 N/A GLU 241.A N THR 238.A OG1 no hydrogen 3.159 N/A LEU 242.A N THR 238.A O no hydrogen 2.875 N/A ARG 243.A N LEU 239.A O no hydrogen 2.933 N/A ARG 243.A NH1 PRO 162.A O no hydrogen 3.037 N/A ARG 243.A NH2 PRO 162.A O no hydrogen 2.941 N/A ARG 243.A NH2 ASP 191.A OD1 no hydrogen 3.055 N/A GLN 244.A N ALA 240.A O no hydrogen 3.075 N/A ARG 245.A N GLU 241.A O no hydrogen 2.946 N/A ARG 245.A NE GLU 234.A OE1 no hydrogen 2.934 N/A ARG 245.A NH1 GLU 234.A OE1 no hydrogen 3.474 N/A ARG 245.A NH1 GLU 234.A OE2 no hydrogen 2.844 N/A LEU 246.A N LEU 242.A O no hydrogen 2.902 N/A ILE 247.A N ARG 243.A O no hydrogen 3.039 N/A HIS 248.A N GLN 244.A O no hydrogen 2.904 N/A PHE 249.A N ARG 245.A O no hydrogen 3.002 N/A SER 250.A N ILE 247.A O no hydrogen 3.070 N/A SER 250.A OG LEU 246.A O no hydrogen 2.717 N/A ALA 251.A N VAL 272.A O no hydrogen 2.808 N/A LYS 252.A NZ ILE 247.A O no hydrogen 2.998 N/A LYS 252.A NZ HIS 248.A O no hydrogen 3.012 N/A LYS 252.A NZ SER 250.A O no hydrogen 3.072 N/A ASP 253.A N ASN 270.A O no hydrogen 3.065 N/A ILE 255.A N ASN 270.A OD1 no hydrogen 2.986 N/A ASN 256.A N GLN 175.A OE1 no hydrogen 2.752 N/A ALA 258.A N ASN 256.A OD1 no hydrogen 3.133 N/A TRP 259.A N ASN 256.A O no hydrogen 3.387 N/A PHE 260.A N GLU 257.A O no hydrogen 3.070 N/A GLN 264.A N PRO 261.A O no hydrogen 2.891 N/A GLN 264.A NE2 ASP 152.A OD2 no hydrogen 3.090 N/A ARG 265.A N GLU 262.A O no hydrogen 3.384 N/A ARG 265.A NE GLU 257.A O no hydrogen 3.098 N/A ARG 265.A NE PHE 260.A O no hydrogen 3.019 N/A ARG 265.A NH2 ALA 258.A O no hydrogen 3.000 N/A ARG 265.A NH2 PHE 260.A O no hydrogen 3.316 N/A THR 268.A N GLN 264.A O no hydrogen 3.000 N/A THR 268.A OG1 GLN 264.A O no hydrogen 2.625 N/A ASN 270.A ND2 ILE 255.A O no hydrogen 2.883 N/A ASN 270.A ND2 GLU 257.A OE2 no hydrogen 3.080 N/A VAL 272.A N ALA 251.A O no hydrogen 2.958 N/A ALA 273.A N PHE 193.A O no hydrogen 2.789 N/A LEU 275.A N ILE 9.A O no hydrogen 2.817 N/A