Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xkq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 243.A OD2 no hydrogen 3.104 N/A ARG 2.A NH2 ASP 243.A OD2 no hydrogen 2.653 N/A PHE 3.A N GLU 28.A O no hydrogen 2.895 N/A SER 4.A N PRO 1.A O no hydrogen 3.412 N/A LYS 6.A N PHE 3.A O no hydrogen 3.187 N/A THR 7.A N ASP 87.A OD2 no hydrogen 2.717 N/A THR 7.A OG1 LYS 85.A O no hydrogen 2.755 N/A THR 7.A OG1 ASP 87.A OD2 no hydrogen 3.070 N/A VAL 8.A N ASN 31.A O no hydrogen 2.927 N/A ILE 9.A N VAL 88.A O no hydrogen 2.960 N/A ILE 10.A N THR 33.A O no hydrogen 3.121 N/A THR 11.A N VAL 90.A O no hydrogen 3.180 N/A THR 11.A OG1 VAL 90.A O no hydrogen 3.352 N/A SER 13.A N THR 35.A O no hydrogen 2.950 N/A SER 13.A OG ILE 10.A O no hydrogen 2.458 N/A SER 13.A OG THR 35.A O no hydrogen 3.504 N/A ARG 19.A N ASN 15.A O no hydrogen 3.348 N/A ARG 19.A NE THR 45.A OG1 no hydrogen 2.866 N/A ARG 19.A NH2 ARG 41.A O no hydrogen 3.039 N/A ARG 19.A NH2 GLU 44.A OE1 no hydrogen 2.917 N/A THR 20.A N GLY 16.A O no hydrogen 3.299 N/A THR 20.A OG1 ILE 17.A O no hydrogen 3.004 N/A THR 21.A N ILE 17.A O no hydrogen 2.908 N/A THR 21.A OG1 ILE 17.A O no hydrogen 2.692 N/A ALA 22.A N GLY 18.A O no hydrogen 2.968 N/A ILE 23.A N ARG 19.A O no hydrogen 2.938 N/A LEU 24.A N THR 20.A O no hydrogen 2.833 N/A PHE 25.A N THR 21.A O no hydrogen 2.951 N/A ALA 26.A N ALA 22.A O no hydrogen 3.033 N/A GLN 27.A N ILE 23.A O no hydrogen 2.991 N/A GLU 28.A N LEU 24.A O no hydrogen 2.986 N/A GLU 28.A N PHE 25.A O no hydrogen 3.038 N/A GLY 29.A N ALA 26.A O no hydrogen 2.884 N/A ALA 30.A N PHE 25.A O no hydrogen 3.047 N/A ASN 31.A N LYS 6.A O no hydrogen 2.865 N/A VAL 32.A N GLN 58.A O no hydrogen 2.796 N/A THR 33.A N VAL 8.A O no hydrogen 2.917 N/A THR 33.A OG1 THR 79.A OG1 no hydrogen 2.600 N/A ILE 34.A N ASN 60.A O no hydrogen 2.752 N/A THR 35.A N SER 13.A OG no hydrogen 2.854 N/A THR 35.A OG1 VAL 62.A O no hydrogen 2.637 N/A GLY 36.A N VAL 62.A O no hydrogen 3.302 N/A ARG 41.A NH1 SER 14.A O no hydrogen 3.004 N/A LEU 42.A N SER 38.A O no hydrogen 2.940 N/A GLU 43.A N SER 39.A O no hydrogen 3.155 N/A GLU 44.A N GLU 40.A O no hydrogen 3.238 N/A THR 45.A N ARG 41.A O no hydrogen 3.119 N/A THR 45.A OG1 SER 13.A O no hydrogen 2.808 N/A THR 45.A OG1 ARG 41.A O no hydrogen 3.511 N/A ARG 46.A N LEU 42.A O no hydrogen 3.123 N/A ARG 46.A NE GLU 43.A OE1 no hydrogen 3.032 N/A GLN 47.A N GLU 43.A O no hydrogen 2.806 N/A GLN 47.A NE2 GLU 43.A OE2 no hydrogen 2.714 N/A ILE 48.A N GLU 44.A O no hydrogen 3.056 N/A ILE 49.A N THR 45.A O no hydrogen 3.227 N/A LEU 50.A N ARG 46.A O no hydrogen 2.825 N/A LYS 51.A N GLN 47.A O no hydrogen 2.709 N/A LYS 51.A NZ GLN 47.A O no hydrogen 3.359 N/A SER 52.A N ILE 49.A O no hydrogen 3.190 N/A GLY 53.A N LEU 50.A O no hydrogen 2.846 N/A GLN 58.A N SER 55.A O no hydrogen 2.931 N/A VAL 59.A N GLU 56.A O no hydrogen 3.310 N/A ASN 60.A N VAL 32.A O no hydrogen 2.785 N/A ASN 60.A ND2 THR 33.A OG1 no hydrogen 3.039 N/A ASN 60.A ND2 SER 78.A OG no hydrogen 3.147 N/A VAL 62.A N ILE 34.A O no hydrogen 2.828 N/A ALA 64.A N GLY 36.A O no hydrogen 2.866 N/A THR 67.A N ASP 65.A OD1 no hydrogen 3.025 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.549 N/A THR 68.A N ASP 65.A O no hydrogen 3.231 N/A THR 68.A OG1 ASP 65.A O no hydrogen 3.014 N/A GLY 71.A N THR 68.A OG1 no hydrogen 2.987 N/A GLN 72.A N THR 68.A O no hydrogen 3.045 N/A GLN 72.A NE2 VAL 66.A O no hydrogen 2.919 N/A GLN 72.A NE2 GLU 126.A OE2 no hydrogen 3.533 N/A ASP 73.A N GLU 69.A O no hydrogen 3.027 N/A GLN 74.A N ASP 70.A O no hydrogen 2.993 N/A ILE 75.A N GLY 71.A O no hydrogen 3.099 N/A ILE 76.A N GLN 72.A O no hydrogen 3.232 N/A ASN 77.A N ASP 73.A O no hydrogen 2.749 N/A SER 78.A N GLN 74.A O no hydrogen 2.910 N/A SER 78.A OG GLN 74.A O no hydrogen 2.539 N/A SER 78.A OG ILE 75.A O no hydrogen 3.299 N/A THR 79.A N ILE 75.A O no hydrogen 3.347 N/A THR 79.A OG1 THR 33.A OG1 no hydrogen 2.600 N/A THR 79.A OG1 ILE 75.A O no hydrogen 2.701 N/A LEU 80.A N ILE 76.A O no hydrogen 3.012 N/A LYS 81.A N ASN 77.A O no hydrogen 2.963 N/A GLN 82.A N SER 78.A O no hydrogen 3.008 N/A PHE 83.A N THR 79.A O no hydrogen 2.859 N/A GLY 84.A N LEU 80.A O no hydrogen 2.741 N/A LYS 85.A NZ ASN 5.A O no hydrogen 2.966 N/A LYS 85.A NZ ASP 87.A OD2 no hydrogen 2.567 N/A ASP 87.A N THR 7.A O no hydrogen 2.887 N/A VAL 88.A N THR 7.A O no hydrogen 2.973 N/A LEU 89.A N GLU 141.A O no hydrogen 2.980 N/A VAL 90.A N ILE 9.A O no hydrogen 2.898 N/A ASN 91.A N VAL 143.A O no hydrogen 2.910 N/A ASN 91.A ND2 ASN 144.A OD1 no hydrogen 2.842 N/A ASN 92.A N THR 11.A OG1 no hydrogen 2.897 N/A ASN 92.A ND2 THR 11.A O no hydrogen 3.165 N/A ALA 93.A N THR 11.A OG1 no hydrogen 3.052 N/A ALA 95.A N ASN 120.A OD1 no hydrogen 2.866 N/A PHE 101.A N ASP 99.A OD1 no hydrogen 2.643 N/A GLY 102.A N ASP 99.A O no hydrogen 2.859 N/A GLY 105.A N ASP 157.A O no hydrogen 2.640 N/A GLN 108.A N GLY 105.A O no hydrogen 3.022 N/A GLN 108.A NE2 THR 103.A O no hydrogen 3.078 N/A GLY 109.A N ASP 99.A OD2 no hydrogen 3.190 N/A ILE 112.A N GLY 109.A O no hydrogen 3.062 N/A HIS 114.A N ILE 110.A O no hydrogen 3.163 N/A LYS 115.A N ASP 111.A O no hydrogen 3.157 N/A LYS 115.A NZ ASP 111.A OD1 no hydrogen 2.692 N/A LYS 115.A NZ ASP 111.A OD2 no hydrogen 3.103 N/A THR 116.A N ILE 112.A O no hydrogen 3.023 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.693 N/A LEU 117.A N TYR 113.A O no hydrogen 3.079 N/A LYS 118.A N HIS 114.A O no hydrogen 3.108 N/A LEU 119.A N LYS 115.A O no hydrogen 3.221 N/A ASN 120.A N THR 116.A O no hydrogen 2.855 N/A ASN 120.A ND2 ALA 95.A O no hydrogen 2.883 N/A ASN 120.A ND2 THR 116.A O no hydrogen 2.922 N/A LEU 121.A N LEU 117.A O no hydrogen 2.947 N/A GLN 122.A N LEU 117.A O no hydrogen 2.773 N/A ALA 123.A N LYS 118.A O no hydrogen 3.044 N/A ILE 125.A N LEU 121.A O no hydrogen 3.064 N/A GLU 126.A N GLN 122.A O no hydrogen 2.855 N/A MET 127.A N ALA 123.A O no hydrogen 2.905 N/A THR 128.A N VAL 124.A O no hydrogen 2.942 N/A THR 128.A OG1 VAL 124.A O no hydrogen 2.680 N/A LYS 129.A N ILE 125.A O no hydrogen 2.977 N/A LYS 130.A N GLU 126.A O no hydrogen 2.940 N/A LYS 130.A NZ GLU 69.A O no hydrogen 3.497 N/A LYS 130.A NZ GLU 69.A OE1 no hydrogen 3.051 N/A LYS 130.A NZ GLN 72.A OE1 no hydrogen 2.763 N/A LYS 130.A NZ ASP 73.A OD1 no hydrogen 2.880 N/A VAL 131.A N MET 127.A O no hydrogen 2.924 N/A LYS 132.A N THR 128.A O no hydrogen 2.944 N/A HIS 134.A N VAL 131.A O no hydrogen 2.888 N/A LEU 135.A N VAL 131.A O no hydrogen 3.011 N/A VAL 136.A N LYS 132.A O no hydrogen 2.852 N/A ALA 137.A N PRO 133.A O no hydrogen 3.303 N/A SER 138.A N HIS 134.A O no hydrogen 3.098 N/A SER 138.A OG ILE 86.A O no hydrogen 2.747 N/A SER 138.A OG HIS 134.A O no hydrogen 3.139 N/A SER 138.A OG LEU 135.A O no hydrogen 3.468 N/A LYS 139.A N VAL 136.A O no hydrogen 3.389 N/A GLY 140.A N LEU 135.A O no hydrogen 2.945 N/A GLU 141.A N ASP 87.A O no hydrogen 2.883 N/A ILE 142.A N ARG 185.A O no hydrogen 2.859 N/A VAL 143.A N LEU 89.A O no hydrogen 2.930 N/A ASN 144.A N ASN 187.A O no hydrogen 2.941 N/A ASN 144.A ND2 THR 172.A OG1 no hydrogen 2.866 N/A VAL 145.A N ASN 91.A O no hydrogen 2.952 N/A SER 146.A N VAL 189.A O no hydrogen 2.860 N/A SER 146.A OG LYS 165.A O no hydrogen 3.476 N/A SER 146.A OG ASP 169.A OD1 no hydrogen 2.698 N/A ILE 148.A N PRO 191.A O no hydrogen 3.285 N/A VAL 149.A N SER 147.A OG no hydrogen 3.072 N/A ALA 150.A N SER 147.A O no hydrogen 3.066 N/A GLY 151.A N ILE 148.A O no hydrogen 3.223 N/A GLN 153.A NE2 VAL 264.A O no hydrogen 3.211 N/A TYR 160.A OH GLN 108.A O no hydrogen 2.830 N/A ALA 162.A N PHE 158.A O no hydrogen 3.181 N/A ILE 163.A N LEU 159.A O no hydrogen 2.899 N/A ALA 164.A N TYR 160.A O no hydrogen 3.050 N/A LYS 165.A N TYR 161.A O no hydrogen 3.098 N/A LYS 165.A NZ VAL 145.A O no hydrogen 2.871 N/A ALA 166.A N ALA 162.A O no hydrogen 2.907 N/A ALA 167.A N ILE 163.A O no hydrogen 2.772 N/A LEU 168.A N ALA 164.A O no hydrogen 2.962 N/A ASP 169.A N LYS 165.A O no hydrogen 3.031 N/A TYR 171.A N ALA 167.A O no hydrogen 2.999 N/A THR 172.A N LEU 168.A O no hydrogen 2.803 N/A THR 172.A OG1 LEU 168.A O no hydrogen 3.222 N/A ARG 173.A N ASP 169.A O no hydrogen 3.052 N/A ARG 173.A NE GLN 170.A OE1 no hydrogen 3.356 N/A SER 174.A N GLN 170.A O no hydrogen 2.914 N/A SER 174.A OG GLN 170.A O no hydrogen 2.716 N/A THR 175.A N TYR 171.A O no hydrogen 2.856 N/A THR 175.A OG1 TYR 171.A O no hydrogen 2.927 N/A THR 175.A OG1 THR 172.A O no hydrogen 3.476 N/A ALA 176.A N THR 172.A O no hydrogen 2.995 N/A ILE 177.A N ARG 173.A O no hydrogen 3.152 N/A ASP 178.A N SER 174.A O no hydrogen 2.942 N/A LEU 179.A N THR 175.A O no hydrogen 2.712 N/A ALA 180.A N ALA 176.A O no hydrogen 3.025 N/A LYS 181.A NZ ASP 178.A O no hydrogen 2.839 N/A PHE 182.A N LEU 179.A O no hydrogen 2.905 N/A GLY 183.A N ALA 180.A O no hydrogen 2.958 N/A ARG 185.A N GLY 140.A O no hydrogen 3.258 N/A ARG 185.A NE GLU 141.A OE2 no hydrogen 3.346 N/A ARG 185.A NH1 SER 247.A OG no hydrogen 3.185 N/A ARG 185.A NH1 ILE 250.A O no hydrogen 3.024 N/A ARG 185.A NH2 GLU 141.A OE2 no hydrogen 3.020 N/A ARG 185.A NH2 SER 247.A OG no hydrogen 2.933 N/A ASN 187.A N ILE 142.A O no hydrogen 2.873 N/A ASN 187.A ND2 ILE 250.A O no hydrogen 3.033 N/A SER 188.A N GLN 253.A O no hydrogen 2.719 N/A SER 188.A OG ASN 144.A O no hydrogen 3.014 N/A SER 188.A OG VAL 189.A O no hydrogen 3.543 N/A SER 188.A OG SER 254.A OG no hydrogen 2.784 N/A VAL 189.A N ASN 144.A O no hydrogen 3.025 N/A SER 190.A N ILE 255.A O no hydrogen 2.731 N/A SER 190.A OG SER 254.A OG no hydrogen 2.581 N/A GLY 192.A N ALA 257.A O no hydrogen 2.803 N/A GLU 195.A N GLY 229.A O no hydrogen 2.839 N/A PHE 198.A N THR 196.A OG1 no hydrogen 3.018 N/A THR 199.A OG1 SER 209.A OG no hydrogen 2.824 N/A THR 199.A OG1 TYR 213.A OH no hydrogen 3.152 N/A ALA 201.A N GLY 197.A O no hydrogen 2.860 N/A MET 202.A N PHE 198.A O no hydrogen 3.190 N/A MET 202.A N THR 199.A O no hydrogen 2.894 N/A GLY 203.A N ASN 200.A O no hydrogen 2.670 N/A MET 204.A N THR 199.A O no hydrogen 3.170 N/A SER 209.A N PRO 205.A O no hydrogen 2.965 N/A SER 209.A OG THR 199.A OG1 no hydrogen 2.824 N/A SER 209.A OG PRO 205.A O no hydrogen 3.291 N/A GLN 210.A N ASP 206.A O no hydrogen 3.203 N/A LYS 211.A N GLN 207.A O no hydrogen 3.275 N/A PHE 212.A N ALA 208.A O no hydrogen 2.866 N/A TYR 213.A N SER 209.A O no hydrogen 2.801 N/A ASN 214.A N GLN 210.A O no hydrogen 2.926 N/A PHE 215.A N LYS 211.A O no hydrogen 2.998 N/A MET 216.A N PHE 212.A O no hydrogen 2.914 N/A ALA 217.A N TYR 213.A O no hydrogen 2.879 N/A SER 218.A N ASN 214.A O no hydrogen 2.985 N/A SER 218.A N PHE 215.A O no hydrogen 3.293 N/A SER 218.A OG ASN 214.A O no hydrogen 2.800 N/A SER 218.A OG PHE 215.A O no hydrogen 3.186 N/A SER 218.A OG HIS 219.A ND1 no hydrogen 3.128 N/A HIS 219.A ND1 PHE 215.A O no hydrogen 2.537 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.741 N/A CYS 222.A N HIS 219.A O no hydrogen 2.748 N/A ILE 223.A N HIS 219.A O no hydrogen 3.035 N/A ILE 225.A N GLY 259.A O no hydrogen 3.042 N/A GLY 226.A N ILE 223.A O no hydrogen 2.929 N/A GLY 229.A N MET 193.A O no hydrogen 3.287 N/A LYS 230.A N HIS 233.A ND1 no hydrogen 2.695 N/A HIS 233.A N LYS 230.A O no hydrogen 2.907 N/A ILE 234.A N PRO 231.A O no hydrogen 3.258 N/A ALA 235.A N PRO 231.A O no hydrogen 3.003 N/A ASN 236.A N GLU 232.A O no hydrogen 2.906 N/A ILE 238.A N ILE 234.A O no hydrogen 3.009 N/A LEU 239.A N ALA 235.A O no hydrogen 2.953 N/A PHE 240.A N ASN 236.A O no hydrogen 2.914 N/A LEU 241.A N ILE 237.A O no hydrogen 2.895 N/A ALA 242.A N ILE 238.A O no hydrogen 2.895 N/A ASP 243.A N LEU 239.A O no hydrogen 2.873 N/A ASP 243.A N PHE 240.A O no hydrogen 3.154 N/A ARG 244.A NH1 GLY 183.A O no hydrogen 3.133 N/A ARG 244.A NH2 GLY 183.A O no hydrogen 2.977 N/A LEU 246.A N ASP 243.A O no hydrogen 3.008 N/A SER 247.A N ASP 243.A O no hydrogen 2.888 N/A SER 247.A OG PHE 240.A O no hydrogen 2.772 N/A SER 247.A OG LEU 241.A O no hydrogen 3.365 N/A SER 247.A OG ASP 243.A O no hydrogen 3.047 N/A PHE 248.A N ARG 244.A O no hydrogen 2.798 N/A ILE 250.A N SER 247.A O no hydrogen 2.777 N/A GLY 252.A N VAL 186.A O no hydrogen 2.773 N/A GLN 253.A N ASN 187.A OD1 no hydrogen 3.070 N/A SER 254.A OG SER 188.A OG no hydrogen 2.784 N/A SER 254.A OG SER 190.A OG no hydrogen 2.581 N/A ILE 255.A N SER 188.A O no hydrogen 2.951 N/A ALA 257.A N SER 190.A O no hydrogen 2.924 N/A GLY 260.A N ASP 258.A OD1 no hydrogen 2.771 N/A THR 261.A N ASP 258.A O no hydrogen 3.133 N/A THR 261.A OG1 CYS 222.A O no hydrogen 2.637 N/A THR 261.A OG1 ASP 258.A O no hydrogen 3.036 N/A SER 262.A N ASP 258.A OD2 no hydrogen 2.811 N/A SER 262.A OG ASP 258.A OD2 no hydrogen 2.712 N/A LEU 263.A N GLY 260.A O no hydrogen 2.918 N/A VAL 264.A N THR 261.A O no hydrogen 3.336 N/A GLN 268.A N MET 265.A O no hydrogen 2.884 N/A ALA 269.A N GLY 266.A O no hydrogen 3.094 N/A HIS 270.A N THR 267.A O no hydrogen 3.108 N/A