Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3clk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG PRO 48.A O no hydrogen 3.224 N/A ILE 4.A N ASN 33.A O no hydrogen 2.708 N/A ALA 5.A N GLY 50.A O no hydrogen 2.851 N/A ALA 6.A N ILE 35.A O no hydrogen 2.955 N/A VAL 7.A N LEU 52.A O no hydrogen 2.740 N/A VAL 8.A N VAL 37.A O no hydrogen 2.871 N/A ASN 14.A N ASN 14.A OD1 no hydrogen 2.439 N/A ASN 14.A ND2 THR 194.A OG1 no hydrogen 2.946 N/A PHE 15.A N THR 13.A OG1 no hydrogen 3.207 N/A GLN 18.A NE2 ASN 14.A O no hydrogen 3.512 N/A ILE 19.A N PHE 15.A O no hydrogen 3.218 N/A LEU 20.A N ALA 16.A O no hydrogen 2.728 N/A ASP 21.A N GLN 17.A O no hydrogen 3.041 N/A ILE 23.A N ILE 19.A O no hydrogen 3.035 N/A GLN 24.A N LEU 20.A O no hydrogen 2.719 N/A GLU 25.A N ASP 21.A O no hydrogen 3.116 N/A GLU 26.A N GLY 22.A O no hydrogen 3.112 N/A ALA 27.A N ILE 23.A O no hydrogen 2.775 N/A HIS 28.A N GLN 24.A O no hydrogen 2.855 N/A LYS 29.A N GLU 25.A O no hydrogen 3.263 N/A ASN 30.A N ALA 27.A O no hydrogen 2.798 N/A ASN 30.A ND2 GLU 26.A O no hydrogen 2.844 N/A GLY 31.A N HIS 28.A O no hydrogen 2.967 N/A TYR 32.A N ALA 27.A O no hydrogen 2.954 N/A ASN 33.A N ASN 2.A O no hydrogen 2.871 N/A ASN 33.A ND2 ASN 2.A OD1 no hydrogen 3.057 N/A ILE 35.A N ILE 4.A O no hydrogen 3.181 N/A VAL 37.A N ALA 6.A O no hydrogen 3.003 N/A THR 43.A N HIS 39.A O no hydrogen 3.331 N/A THR 43.A OG1 HIS 39.A O no hydrogen 3.432 N/A ALA 44.A N ALA 40.A O no hydrogen 3.375 N/A ILE 45.A N LEU 41.A O no hydrogen 2.814 N/A GLU 46.A N LEU 42.A O no hydrogen 2.807 N/A ARG 47.A N ALA 44.A O no hydrogen 3.302 N/A ILE 51.A N PRO 66.A O no hydrogen 2.876 N/A LEU 52.A N ALA 5.A O no hydrogen 2.909 N/A LEU 53.A N CYS 68.A O no hydrogen 3.190 N/A LEU 54.A N VAL 7.A O no hydrogen 2.961 N/A SER 55.A N LEU 70.A O no hydrogen 2.694 N/A LEU 62.A N ASN 58.A O no hydrogen 3.204 N/A GLN 63.A N LEU 59.A O no hydrogen 2.593 N/A SER 64.A OG LEU 61.A O no hydrogen 2.616 N/A SER 65.A OG LEU 62.A O no hydrogen 3.034 N/A SER 65.A OG SER 64.A O no hydrogen 2.741 N/A CYS 68.A N ILE 51.A O no hydrogen 2.992 N/A CYS 68.A SG PHE 69.A O no hydrogen 3.690 N/A PHE 69.A N PRO 76.A O no hydrogen 3.127 N/A LEU 70.A N LEU 53.A O no hydrogen 2.806 N/A SER 71.A N ILE 78.A O no hydrogen 2.792 N/A ARG 75.A NH2 TYR 111.A OH no hydrogen 2.670 N/A PHE 77.A N SER 228.A O no hydrogen 2.940 N/A ILE 78.A N PHE 69.A O no hydrogen 2.992 N/A SER 79.A N GLN 230.A O no hydrogen 3.074 N/A SER 79.A OG SER 80.A O no hydrogen 2.853 N/A SER 80.A OG GLN 208.A OE1 no hydrogen 2.847 N/A ASP 84.A N ASP 81.A OD1 no hydrogen 3.029 N/A ILE 85.A N ASP 81.A O no hydrogen 2.893 N/A GLY 86.A N ASP 82.A O no hydrogen 3.174 N/A TYR 87.A N GLU 83.A O no hydrogen 2.984 N/A TYR 87.A OH GLU 126.A OE1 no hydrogen 2.467 N/A GLN 88.A N ASP 84.A O no hydrogen 2.760 N/A GLN 88.A NE2 ASP 84.A OD2 no hydrogen 2.639 N/A GLN 88.A NE2 VAL 234.A O no hydrogen 3.556 N/A ALA 89.A N ILE 85.A O no hydrogen 2.846 N/A THR 90.A N GLY 86.A O no hydrogen 3.086 N/A THR 90.A OG1 GLY 86.A O no hydrogen 2.789 N/A ASN 91.A N TYR 87.A O no hydrogen 2.973 N/A LEU 92.A N GLN 88.A O no hydrogen 2.871 N/A ILE 94.A N THR 90.A O no hydrogen 2.922 N/A ASN 95.A N ASN 91.A O no hydrogen 2.643 N/A GLU 96.A N LEU 93.A O no hydrogen 3.043 N/A GLY 97.A N ILE 94.A O no hydrogen 3.038 N/A HIS 98.A N LEU 93.A O no hydrogen 3.090 N/A HIS 98.A ND1 THR 159.A OG1 no hydrogen 2.799 N/A HIS 98.A NE2 ALA 243.A O no hydrogen 2.800 N/A ARG 99.A NH1 ALA 127.A O no hydrogen 2.885 N/A ARG 99.A NH2 ALA 127.A O no hydrogen 3.455 N/A ARG 99.A NH2 ASN 128.A O no hydrogen 3.125 N/A GLY 102.A N GLY 160.A O no hydrogen 2.969 N/A ILE 103.A N TRP 135.A O no hydrogen 2.892 N/A ALA 104.A N ILE 162.A O no hydrogen 2.994 N/A GLY 105.A N LYS 137.A O no hydrogen 2.866 N/A TYR 109.A N ASP 107.A OD1 no hydrogen 3.282 N/A ARG 114.A N TYR 109.A O no hydrogen 3.076 N/A ARG 116.A N THR 112.A O no hydrogen 3.166 N/A ARG 116.A NE ASP 82.A OD1 no hydrogen 2.682 N/A ARG 116.A NH2 ASP 82.A OD1 no hydrogen 3.095 N/A LEU 117.A N GLY 113.A O no hydrogen 2.945 N/A ALA 118.A N ARG 114.A O no hydrogen 2.863 N/A GLY 119.A N LYS 115.A O no hydrogen 3.015 N/A TYR 120.A N ARG 116.A O no hydrogen 2.981 N/A TYR 120.A OH ILE 101.A O no hydrogen 2.626 N/A LYS 121.A N LEU 117.A O no hydrogen 2.911 N/A LYS 122.A N ALA 118.A O no hydrogen 2.905 N/A ALA 123.A N GLY 119.A O no hydrogen 3.231 N/A LEU 124.A N TYR 120.A O no hydrogen 3.097 N/A LYS 125.A N LYS 121.A O no hydrogen 3.000 N/A GLU 126.A N LYS 122.A O no hydrogen 3.036 N/A ALA 127.A N ALA 123.A O no hydrogen 3.135 N/A ALA 127.A N LEU 124.A O no hydrogen 3.148 N/A ASN 128.A N LYS 125.A O no hydrogen 2.810 N/A ILE 129.A N LEU 124.A O no hydrogen 2.669 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.686 N/A TRP 135.A N ASN 132.A O no hydrogen 2.958 N/A ILE 136.A N GLN 133.A O no hydrogen 3.032 N/A LYS 137.A N ILE 103.A O no hydrogen 3.005 N/A GLY 139.A N ILE 106.A O no hydrogen 2.854 N/A TYR 141.A N GLY 105.A O no hydrogen 2.896 N/A TYR 141.A OH ASP 107.A OD1 no hydrogen 3.226 N/A SER 142.A N ASP 140.A OD1 no hydrogen 3.157 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 2.573 N/A TYR 143.A OH GLU 147.A OE2 no hydrogen 2.987 N/A SER 145.A N SER 142.A OG no hydrogen 3.039 N/A GLY 146.A N SER 142.A O no hydrogen 3.241 N/A GLY 146.A N TYR 143.A O no hydrogen 2.803 N/A GLU 147.A N TYR 143.A O no hydrogen 3.127 N/A GLN 148.A N THR 144.A O no hydrogen 2.994 N/A ALA 149.A N SER 145.A O no hydrogen 2.909 N/A LYS 150.A NZ GLN 148.A OE1 no hydrogen 2.820 N/A ALA 151.A N GLN 148.A O no hydrogen 3.022 N/A PHE 152.A N ALA 149.A O no hydrogen 2.984 N/A THR 156.A N GLY 153.A O no hydrogen 2.876 N/A LEU 158.A N THR 156.A OG1 no hydrogen 2.979 N/A THR 159.A N GLN 100.A O no hydrogen 2.960 N/A THR 159.A OG1 HIS 98.A ND1 no hydrogen 2.799 N/A GLY 160.A N GLN 100.A O no hydrogen 3.405 N/A ILE 161.A N SER 187.A O no hydrogen 2.920 N/A ILE 162.A N GLY 102.A O no hydrogen 2.870 N/A ALA 163.A N VAL 189.A O no hydrogen 2.937 N/A ALA 164.A N ALA 104.A O no hydrogen 2.888 N/A SER 165.A OG TYR 141.A O no hydrogen 2.673 N/A SER 165.A OG THR 167.A OG1 no hydrogen 3.266 N/A THR 167.A OG1 SER 142.A O no hydrogen 2.915 N/A THR 167.A OG1 SER 165.A OG no hydrogen 3.266 N/A ALA 168.A N SER 165.A O no hydrogen 2.839 N/A ILE 169.A N ASP 166.A O no hydrogen 2.946 N/A ILE 171.A N THR 167.A O no hydrogen 2.941 N/A LEU 172.A N ALA 168.A O no hydrogen 2.864 N/A ASN 173.A N ILE 169.A O no hydrogen 2.879 N/A ASN 173.A ND2 TYR 143.A OH no hydrogen 3.041 N/A GLN 174.A N GLY 170.A O no hydrogen 3.032 N/A ALA 175.A N ILE 171.A O no hydrogen 2.858 N/A SER 176.A N LEU 172.A O no hydrogen 3.061 N/A SER 177.A N ASN 173.A O no hydrogen 3.002 N/A SER 177.A OG GLN 174.A O no hydrogen 2.648 N/A PHE 178.A N GLN 174.A O no hydrogen 3.125 N/A PHE 178.A N ALA 175.A O no hydrogen 2.968 N/A GLY 179.A N SER 176.A O no hydrogen 2.805 N/A ILE 180.A N ALA 175.A O no hydrogen 2.833 N/A GLU 181.A N ASP 185.A OD2 no hydrogen 2.960 N/A LYS 184.A NZ ASP 185.A OD1 no hydrogen 3.326 N/A ASP 185.A N GLU 181.A O no hydrogen 2.670 N/A LEU 186.A N GLU 181.A O no hydrogen 3.102 N/A SER 187.A N THR 159.A O no hydrogen 2.955 N/A SER 187.A OG HIS 98.A NE2 no hydrogen 3.137 N/A SER 187.A OG ALA 243.A O no hydrogen 3.259 N/A ILE 188.A N SER 241.A O no hydrogen 2.794 N/A VAL 189.A N ILE 161.A O no hydrogen 3.023 N/A SER 190.A N THR 204.A O no hydrogen 2.788 N/A SER 190.A OG ASP 166.A OD1 no hydrogen 2.540 N/A ASP 192.A N ILE 206.A O no hydrogen 2.870 N/A GLY 193.A N ASP 166.A OD1 no hydrogen 3.085 N/A THR 194.A N ASP 166.A OD2 no hydrogen 2.664 N/A THR 194.A OG1 ASP 166.A OD2 no hydrogen 2.731 N/A CYS 196.A SG ASP 166.A OD1 no hydrogen 3.214 N/A LYS 197.A N GLU 195.A O no hydrogen 2.729 N/A THR 199.A OG1 CYS 196.A O no hydrogen 3.322 N/A THR 199.A OG1 PRO 201.A O no hydrogen 2.965 N/A ARG 200.A NH1 LYS 197.A O no hydrogen 2.967 N/A ARG 200.A NH1 THR 199.A O no hydrogen 2.847 N/A LEU 203.A N CYS 196.A O no hydrogen 2.989 N/A THR 204.A N SER 241.A OG no hydrogen 2.737 N/A THR 204.A OG1 THR 242.A OG1 no hydrogen 3.347 N/A SER 205.A N VAL 237.A O no hydrogen 3.086 N/A SER 205.A OG SER 207.A OG no hydrogen 2.977 N/A ILE 206.A N SER 190.A O no hydrogen 2.815 N/A SER 207.A N ASN 235.A O no hydrogen 3.014 N/A SER 207.A OG SER 205.A OG no hydrogen 2.977 N/A GLN 208.A N ASP 192.A O no hydrogen 2.931 N/A GLN 208.A NE2 ASP 192.A OD1 no hydrogen 2.945 N/A GLN 212.A N ASP 209.A OD1 no hydrogen 2.885 N/A GLN 212.A NE2 GLN 212.A O no hydrogen 3.423 N/A GLN 212.A NE2 THR 215.A OG1 no hydrogen 3.088 N/A VAL 214.A N PHE 211.A O no hydrogen 3.026 N/A THR 215.A N GLN 212.A O no hydrogen 2.804 N/A THR 215.A OG1 GLN 212.A O no hydrogen 3.197 N/A VAL 217.A N GLY 213.A O no hydrogen 3.238 N/A GLN 218.A N VAL 214.A O no hydrogen 3.004 N/A GLN 218.A NE2 GLU 26.A OE2 no hydrogen 2.826 N/A GLN 219.A N THR 215.A O no hydrogen 3.124 N/A ILE 220.A N GLY 216.A O no hydrogen 3.218 N/A HIS 221.A N VAL 217.A O no hydrogen 2.893 N/A GLN 222.A N GLN 218.A O no hydrogen 2.970 N/A SER 223.A N GLN 219.A O no hydrogen 3.147 N/A SER 223.A OG ILE 220.A O no hydrogen 3.401 N/A GLN 229.A NE2 ASP 73.A O no hydrogen 2.726 N/A GLN 229.A NE2 ARG 75.A O no hydrogen 3.008 N/A GLN 230.A N PHE 77.A O no hydrogen 2.749 N/A ILE 232.A N SER 79.A O no hydrogen 2.743 N/A VAL 237.A N SER 205.A O no hydrogen 2.865 N/A ARG 239.A N THR 204.A OG1 no hydrogen 2.841 N/A ARG 239.A NH1 LEU 203.A O no hydrogen 2.727 N/A ARG 239.A NH1 SER 205.A OG no hydrogen 3.080 N/A LYS 240.A N GLN 202.A O no hydrogen 2.971 N/A SER 241.A OG ILE 188.A O no hydrogen 2.730 N/A THR 242.A OG1 THR 204.A OG1 no hydrogen 3.347 N/A ALA 243.A N SER 187.A OG no hydrogen 3.145 N/A ARG 244.A NH1 ASN 95.A O no hydrogen 3.137 N/A ARG 244.A NH2 ASN 95.A O no hydrogen 3.376 N/A LEU 245.A N GLU 96.A O no hydrogen 2.883 N/A