Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xib_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 207.A O no hydrogen 2.932 N/A ASN 5.A ND2 HIS 232.A NE2 no hydrogen 2.850 N/A GLU 7.A N PRO 3.A O no hydrogen 3.224 N/A ARG 8.A N TRP 4.A O no hydrogen 2.877 N/A ARG 8.A NH1 ALA 182.A O no hydrogen 2.920 N/A ARG 8.A NH1 ASP 184.A OD1 no hydrogen 3.077 N/A ARG 8.A NH2 ALA 182.A O no hydrogen 2.979 N/A ILE 9.A N ASN 5.A O no hydrogen 3.150 N/A THR 10.A N GLU 7.A O no hydrogen 3.060 N/A THR 10.A OG1 LEU 6.A O no hydrogen 2.902 N/A LEU 20.A N SER 242.A OG no hydrogen 3.107 N/A VAL 21.A N GLY 18.A O no hydrogen 3.077 N/A GLU 22.A N PRO 123.A O no hydrogen 3.234 N/A VAL 23.A N SER 87.A O no hydrogen 2.868 N/A TYR 24.A N VAL 125.A O no hydrogen 2.814 N/A LEU 25.A N ARG 89.A O no hydrogen 2.866 N/A LEU 26.A N LEU 127.A O no hydrogen 3.221 N/A ASP 27.A N LEU 91.A O no hydrogen 3.076 N/A THR 28.A N ASP 27.A OD2 no hydrogen 2.844 N/A THR 28.A OG1 ASP 27.A OD2 no hydrogen 3.432 N/A THR 28.A OG1 SER 29.A O no hydrogen 2.917 N/A SER 29.A OG ASP 65.A OD1 no hydrogen 2.674 N/A GLN 31.A N THR 69.A OG1 no hydrogen 2.915 N/A GLN 31.A NE2 SER 214.A O no hydrogen 2.975 N/A HIS 34.A N GLN 31.A O no hydrogen 3.146 N/A HIS 34.A NE2 CYS 219.A O no hydrogen 2.888 N/A ARG 35.A N SER 217.A O no hydrogen 2.895 N/A GLU 36.A N HIS 34.A ND1 no hydrogen 3.022 N/A ILE 37.A N HIS 34.A O no hydrogen 3.006 N/A GLU 38.A N HIS 34.A O no hydrogen 2.818 N/A ARG 40.A N ILE 37.A O no hydrogen 3.099 N/A ARG 40.A NH2 SER 76.A O no hydrogen 3.015 N/A VAL 41.A N ILE 37.A O no hydrogen 3.303 N/A MET 42.A N MET 88.A O no hydrogen 2.834 N/A THR 44.A N SER 90.A O no hydrogen 3.117 N/A THR 44.A OG1 SER 90.A O no hydrogen 2.729 N/A PHE 46.A N THR 44.A OG1 no hydrogen 3.183 N/A ASN 48.A N ARG 92.A O no hydrogen 2.982 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.850 N/A ASP 53.A N GLN 97.A OE1 no hydrogen 2.880 N/A PHE 57.A N GLY 54.A O no hydrogen 3.333 N/A ARG 59.A NE GLU 52.A OE1 no hydrogen 3.142 N/A ARG 59.A NH2 GLU 52.A OE1 no hydrogen 3.054 N/A GLN 60.A N HIS 58.A O no hydrogen 3.132 N/A LYS 63.A N GLN 60.A O no hydrogen 3.022 N/A LYS 63.A NZ SER 62.A OG no hydrogen 2.909 N/A LYS 63.A NZ ASP 215.A OD1 no hydrogen 3.422 N/A CYS 64.A N GLN 60.A O no hydrogen 2.899 N/A CYS 64.A SG GLN 60.A O no hydrogen 3.284 N/A ASP 65.A N ALA 61.A O no hydrogen 2.886 N/A SER 66.A N LYS 63.A O no hydrogen 3.266 N/A HIS 67.A ND1 ASP 27.A OD2 no hydrogen 2.523 N/A GLY 68.A N THR 28.A OG1 no hydrogen 2.871 N/A THR 69.A N ASP 65.A O no hydrogen 3.046 N/A THR 69.A OG1 ASP 65.A O no hydrogen 2.679 N/A HIS 70.A N SER 66.A O no hydrogen 3.258 N/A HIS 70.A NE2 ILE 209.A O no hydrogen 2.865 N/A HIS 70.A NE2 VAL 221.A O no hydrogen 3.064 N/A LEU 71.A N HIS 67.A O no hydrogen 3.157 N/A ALA 72.A N GLY 68.A O no hydrogen 2.906 N/A GLY 73.A N THR 69.A O no hydrogen 3.123 N/A VAL 74.A N HIS 70.A O no hydrogen 2.983 N/A VAL 75.A N LEU 71.A O no hydrogen 3.102 N/A SER 76.A N ALA 72.A O no hydrogen 3.026 N/A SER 76.A OG ALA 72.A O no hydrogen 3.378 N/A GLY 77.A N GLY 73.A O no hydrogen 2.834 N/A ARG 78.A N GLU 36.A O no hydrogen 2.964 N/A ASP 79.A N GLU 36.A OE1 no hydrogen 2.858 N/A ALA 80.A N GLU 36.A OE2 no hydrogen 2.816 N/A GLY 81.A N GLY 77.A O no hydrogen 3.044 N/A VAL 82.A N VAL 74.A O no hydrogen 2.865 N/A ALA 83.A N VAL 75.A O no hydrogen 2.816 N/A LYS 84.A NZ GLY 81.A O no hydrogen 2.751 N/A GLY 85.A N GLY 17.A O no hydrogen 2.830 N/A ALA 86.A N ALA 83.A O no hydrogen 3.137 N/A MET 88.A N ARG 40.A O no hydrogen 2.858 N/A ARG 89.A N VAL 23.A O no hydrogen 3.035 N/A ARG 89.A NE GLU 22.A OE1 no hydrogen 2.751 N/A ARG 89.A NH1 GLU 22.A OE1 no hydrogen 3.242 N/A SER 90.A N MET 42.A O no hydrogen 2.906 N/A LEU 91.A N LEU 25.A O no hydrogen 2.868 N/A ARG 92.A N PHE 46.A O no hydrogen 3.051 N/A ARG 92.A NE LEU 94.A O no hydrogen 3.352 N/A ARG 92.A NH2 GLU 47.A OE1 no hydrogen 2.852 N/A VAL 93.A N ASP 27.A O no hydrogen 2.880 N/A LEU 94.A N ASP 27.A O no hydrogen 3.075 N/A ASN 95.A N LYS 99.A O no hydrogen 2.828 N/A ASN 95.A ND2 PRO 50.A O no hydrogen 3.087 N/A CYS 96.A N GLU 52.A OE2 no hydrogen 2.877 N/A CYS 96.A SG GLU 52.A OE2 no hydrogen 3.410 N/A GLN 97.A N ASN 95.A OD1 no hydrogen 2.892 N/A GLN 97.A NE2 ASP 53.A O no hydrogen 3.231 N/A GLY 98.A N ASN 95.A O no hydrogen 3.013 N/A LYS 99.A N ASN 95.A OD1 no hydrogen 3.039 N/A LYS 99.A NZ ASP 53.A OD2 no hydrogen 3.162 N/A THR 101.A OG1 SER 103.A OG no hydrogen 3.273 N/A SER 103.A OG THR 101.A OG1 no hydrogen 3.273 N/A GLY 104.A N THR 101.A OG1 no hydrogen 2.887 N/A THR 105.A N THR 101.A O no hydrogen 3.103 N/A THR 105.A OG1 THR 101.A O no hydrogen 2.909 N/A LEU 106.A N VAL 102.A O no hydrogen 2.877 N/A ILE 107.A N SER 103.A O no hydrogen 2.984 N/A GLY 108.A N GLY 104.A O no hydrogen 2.897 N/A LEU 109.A N THR 105.A O no hydrogen 2.864 N/A GLU 110.A N LEU 106.A O no hydrogen 3.030 N/A PHE 111.A N ILE 107.A O no hydrogen 2.934 N/A ILE 112.A N GLY 108.A O no hydrogen 3.052 N/A ARG 113.A N LEU 109.A O no hydrogen 3.230 N/A ARG 113.A NH1 GLN 116.A OE1 no hydrogen 2.814 N/A LYS 114.A N GLU 110.A O no hydrogen 2.898 N/A SER 115.A N PHE 111.A O no hydrogen 2.915 N/A SER 115.A OG PHE 111.A O no hydrogen 2.848 N/A GLN 116.A N ILE 112.A O no hydrogen 3.005 N/A LEU 117.A N ARG 113.A O no hydrogen 3.014 N/A VAL 118.A N LYS 114.A O no hydrogen 3.155 N/A GLN 119.A N SER 115.A O no hydrogen 3.114 N/A VAL 125.A N GLU 22.A O no hydrogen 2.999 N/A VAL 126.A N VAL 151.A O no hydrogen 2.742 N/A LEU 127.A N TYR 24.A O no hydrogen 2.842 N/A LEU 128.A N VAL 153.A O no hydrogen 2.890 N/A GLY 132.A N SER 167.A O no hydrogen 2.861 N/A TYR 134.A N LEU 165.A O no hydrogen 3.032 N/A SER 135.A N SER 167.A OG no hydrogen 2.922 N/A LEU 138.A N SER 135.A OG no hydrogen 2.998 N/A ASN 139.A N SER 135.A O no hydrogen 3.000 N/A ASN 139.A ND2 SER 170.A OG no hydrogen 2.919 N/A ALA 140.A N ARG 136.A O no hydrogen 2.952 N/A ALA 141.A N VAL 137.A O no hydrogen 2.895 N/A CYS 142.A N LEU 138.A O no hydrogen 3.075 N/A CYS 142.A SG LEU 138.A O no hydrogen 3.359 N/A GLN 143.A N ASN 139.A O no hydrogen 2.882 N/A GLN 143.A NE2 GLU 173.A OE2 no hydrogen 2.801 N/A ARG 144.A N ALA 140.A O no hydrogen 2.964 N/A LEU 145.A N ALA 141.A O no hydrogen 3.049 N/A ALA 146.A N CYS 142.A O no hydrogen 2.941 N/A ARG 147.A N GLN 143.A O no hydrogen 2.870 N/A ARG 147.A NH2 GLU 173.A OE2 no hydrogen 3.322 N/A ALA 148.A N ARG 144.A O no hydrogen 3.018 N/A GLY 149.A N ALA 146.A O no hydrogen 2.964 N/A VAL 150.A N LEU 145.A O no hydrogen 3.233 N/A VAL 151.A N LEU 124.A O no hydrogen 3.128 N/A VAL 153.A N VAL 126.A O no hydrogen 2.868 N/A THR 154.A N ILE 175.A O no hydrogen 2.858 N/A THR 154.A OG1 LEU 128.A O no hydrogen 2.718 N/A ALA 155.A N LEU 128.A O no hydrogen 3.319 N/A ALA 156.A N VAL 177.A O no hydrogen 2.914 N/A GLY 157.A N THR 226.A OG1 no hydrogen 3.104 N/A PHE 159.A N ASN 195.A OD1 no hydrogen 3.104 N/A ARG 160.A N GLY 193.A O no hydrogen 2.839 N/A ARG 160.A NH2 TRP 269.A O no hydrogen 3.137 N/A ASP 161.A N ASN 195.A OD1 no hydrogen 2.979 N/A ASP 162.A N ASP 161.A OD1 no hydrogen 2.885 N/A ALA 163.A N PHE 196.A O no hydrogen 2.978 N/A CYS 164.A N ASP 162.A OD1 no hydrogen 2.987 N/A CYS 164.A SG ASP 162.A OD1 no hydrogen 3.396 N/A LEU 165.A N ASP 162.A O no hydrogen 3.106 N/A TYR 166.A N ALA 163.A O no hydrogen 3.133 N/A TYR 166.A OH ASP 161.A OD2 no hydrogen 2.732 N/A SER 167.A N GLY 132.A O no hydrogen 2.925 N/A SER 167.A OG ASN 139.A OD1 no hydrogen 2.659 N/A SER 167.A OG SER 170.A OG no hydrogen 3.200 N/A SER 170.A N TYR 166.A O no hydrogen 2.890 N/A SER 170.A OG TYR 166.A O no hydrogen 2.759 N/A SER 170.A OG SER 167.A OG no hydrogen 3.200 N/A ALA 171.A N PRO 168.A O no hydrogen 2.968 N/A VAL 174.A N ALA 171.A O no hydrogen 3.256 N/A ILE 175.A N LEU 152.A O no hydrogen 2.898 N/A THR 176.A N ASP 201.A OD2 no hydrogen 2.783 N/A THR 176.A OG1 ALA 169.A O no hydrogen 2.804 N/A THR 176.A OG1 VAL 174.A O no hydrogen 3.465 N/A VAL 177.A N THR 154.A O no hydrogen 2.957 N/A GLY 178.A N LEU 202.A O no hydrogen 2.937 N/A ALA 179.A N THR 194.A OG1 no hydrogen 2.991 N/A THR 180.A N ALA 204.A O no hydrogen 3.009 N/A ASN 181.A N GLN 185.A O no hydrogen 2.839 N/A GLN 183.A N ASN 181.A OD1 no hydrogen 2.992 N/A ASP 184.A N ASN 181.A O no hydrogen 2.834 N/A GLN 185.A N ASN 181.A OD1 no hydrogen 3.062 N/A GLN 185.A NE2 GLN 183.A O no hydrogen 2.884 N/A GLN 185.A NE2 VAL 264.A O no hydrogen 3.434 N/A VAL 187.A N ALA 179.A O no hydrogen 2.999 N/A LEU 189.A N LEU 192.A O no hydrogen 3.024 N/A LEU 192.A N LEU 189.A O no hydrogen 2.949 N/A THR 194.A N VAL 187.A O no hydrogen 2.932 N/A THR 194.A OG1 ASN 195.A O no hydrogen 3.002 N/A ASN 195.A N GLY 157.A O no hydrogen 2.869 N/A ASN 195.A ND2 ALA 156.A O no hydrogen 2.825 N/A PHE 196.A N ASP 161.A O no hydrogen 2.986 N/A GLY 197.A N THR 278.A OG1 no hydrogen 2.926 N/A VAL 200.A N GLY 197.A O no hydrogen 3.151 N/A ASP 201.A N THR 176.A O no hydrogen 2.887 N/A PHE 203.A N LEU 281.A O no hydrogen 2.911 N/A ALA 204.A N GLY 178.A O no hydrogen 3.039 N/A GLY 206.A N THR 180.A O no hydrogen 2.875 N/A ASP 208.A N SER 224.A OG no hydrogen 2.955 N/A ILE 209.A N GLN 223.A O no hydrogen 2.941 N/A GLY 211.A N VAL 221.A O no hydrogen 3.049 N/A SER 213.A N CYS 219.A O no hydrogen 2.894 N/A SER 214.A OG SER 62.A O no hydrogen 2.521 N/A ASP 215.A N SER 213.A OG no hydrogen 3.225 N/A CYS 216.A SG THR 218.A OG1 no hydrogen 3.760 N/A CYS 219.A N CYS 216.A O no hydrogen 3.115 N/A VAL 221.A N GLY 211.A O no hydrogen 2.914 N/A GLN 223.A N ILE 209.A O no hydrogen 3.099 N/A GLN 223.A NE2 SER 66.A OG no hydrogen 3.395 N/A GLY 225.A N GLY 206.A O no hydrogen 2.862 N/A THR 226.A N ASN 158.A OD1 no hydrogen 2.917 N/A THR 226.A OG1 ASN 158.A OD1 no hydrogen 2.769 N/A SER 227.A OG HIS 67.A NE2 no hydrogen 3.190 N/A SER 227.A OG PRO 129.A O no hydrogen 2.975 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.922 N/A GLN 228.A NE2 HIS 70.A ND1 no hydrogen 3.233 N/A ALA 229.A N GLY 225.A O no hydrogen 3.340 N/A ALA 230.A N THR 226.A O no hydrogen 2.905 N/A ALA 231.A N SER 227.A O no hydrogen 2.915 N/A HIS 232.A N GLN 228.A O no hydrogen 3.168 N/A HIS 232.A ND1 GLN 228.A O no hydrogen 2.820 N/A VAL 233.A N ALA 229.A O no hydrogen 3.226 N/A ALA 234.A N ALA 230.A O no hydrogen 2.876 N/A GLY 235.A N ALA 231.A O no hydrogen 3.026 N/A ILE 236.A N HIS 232.A O no hydrogen 2.904 N/A ALA 237.A N VAL 233.A O no hydrogen 2.791 N/A ALA 238.A N ALA 234.A O no hydrogen 2.922 N/A MET 239.A N GLY 235.A O no hydrogen 3.006 N/A MET 240.A N ILE 236.A O no hydrogen 2.867 N/A LEU 241.A N ALA 237.A O no hydrogen 2.870 N/A SER 242.A N ALA 238.A O no hydrogen 2.928 N/A ALA 243.A N MET 239.A O no hydrogen 3.110 N/A GLU 244.A N MET 240.A O no hydrogen 2.915 N/A LEU 247.A N GLU 244.A O no hydrogen 3.219 N/A THR 248.A N GLU 251.A OE1 no hydrogen 3.014 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.265 N/A LEU 252.A N THR 248.A O no hydrogen 2.878 N/A ARG 253.A N LEU 249.A O no hydrogen 2.947 N/A ARG 253.A NH1 PRO 172.A O no hydrogen 3.183 N/A ARG 253.A NH1 ASP 201.A OD1 no hydrogen 2.991 N/A ARG 253.A NH2 PRO 172.A O no hydrogen 3.342 N/A ARG 253.A NH2 GLU 173.A O no hydrogen 3.118 N/A GLN 254.A N ALA 250.A O no hydrogen 3.085 N/A ARG 255.A N GLU 251.A O no hydrogen 2.969 N/A ARG 255.A NE GLU 244.A OE1 no hydrogen 2.965 N/A ARG 255.A NH1 GLU 244.A OE2 no hydrogen 2.879 N/A LEU 256.A N LEU 252.A O no hydrogen 2.937 N/A ILE 257.A N ARG 253.A O no hydrogen 3.083 N/A HIS 258.A N GLN 254.A O no hydrogen 2.944 N/A PHE 259.A N ARG 255.A O no hydrogen 3.065 N/A SER 260.A N ILE 257.A O no hydrogen 3.224 N/A SER 260.A OG LEU 256.A O no hydrogen 2.683 N/A ALA 261.A N VAL 282.A O no hydrogen 2.839 N/A LYS 262.A NZ ILE 257.A O no hydrogen 3.084 N/A LYS 262.A NZ HIS 258.A O no hydrogen 2.931 N/A LYS 262.A NZ SER 260.A O no hydrogen 2.869 N/A ASP 263.A N ASN 280.A O no hydrogen 3.102 N/A ILE 265.A N ASN 280.A OD1 no hydrogen 2.955 N/A ASN 266.A N GLN 185.A OE1 no hydrogen 2.777 N/A ALA 268.A N ASN 266.A OD1 no hydrogen 3.159 N/A TRP 269.A N ASN 266.A O no hydrogen 3.398 N/A PHE 270.A N GLU 267.A O no hydrogen 3.135 N/A GLN 274.A N PRO 271.A O no hydrogen 2.929 N/A GLN 274.A NE2 ASP 162.A OD2 no hydrogen 3.228 N/A ARG 275.A N GLU 272.A O no hydrogen 3.497 N/A ARG 275.A NE PHE 270.A O no hydrogen 2.978 N/A ARG 275.A NH2 ALA 268.A O no hydrogen 3.197 N/A ARG 275.A NH2 PHE 270.A O no hydrogen 3.303 N/A LEU 277.A N GLN 274.A O no hydrogen 3.222 N/A THR 278.A N GLN 274.A O no hydrogen 2.938 N/A THR 278.A OG1 GLN 274.A O no hydrogen 2.733 N/A ASN 280.A ND2 ILE 265.A O no hydrogen 2.887 N/A ASN 280.A ND2 GLU 267.A OE2 no hydrogen 3.032 N/A VAL 282.A N ALA 261.A O no hydrogen 2.995 N/A ALA 283.A N PHE 203.A O no hydrogen 2.777 N/A LEU 285.A N ILE 9.A O no hydrogen 2.807 N/A