Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kae_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 80.A O no hydrogen 2.949 N/A PHE 3.A N LEU 1.A O no hydrogen 2.702 N/A THR 7.A N GLU 60.A O no hydrogen 2.943 N/A ARG 9.A N GLU 58.A O no hydrogen 2.868 N/A ARG 9.A NH2 TYR 11.A OH no hydrogen 3.403 N/A LEU 10.A N GLU 34.A O no hydrogen 2.840 N/A TYR 11.A N VAL 56.A O no hydrogen 2.900 N/A TYR 11.A OH GLU 58.A OE1 no hydrogen 3.076 N/A SER 12.A N ARG 36.A O no hydrogen 3.001 N/A SER 12.A OG TYR 13.A O no hydrogen 3.489 N/A SER 12.A OG TYR 35.A OH no hydrogen 2.850 N/A TRP 14.A N ASP 211.A OD2 no hydrogen 2.885 N/A ARG 15.A NH1 THR 219.A O no hydrogen 2.900 N/A ARG 15.A NH2 THR 219.A O no hydrogen 3.451 N/A ARG 15.A NH2 THR 219.A OG1 no hydrogen 2.671 N/A SER 16.A N TYR 13.A O no hydrogen 3.085 N/A SER 18.A OG SER 16.A OG no hydrogen 2.931 N/A SER 18.A OG VAL 54.A O no hydrogen 2.965 N/A ALA 19.A N SER 16.A OG no hydrogen 3.017 N/A TRP 20.A N SER 16.A O no hydrogen 2.940 N/A ARG 21.A N SER 17.A O.A no hydrogen 3.142 N/A ARG 21.A N SER 17.A O.B no hydrogen 3.187 N/A ARG 21.A NH1 SER 71.A OG no hydrogen 2.907 N/A ARG 23.A N ALA 19.A O no hydrogen 2.967 N/A ARG 23.A NE ALA 204.A O no hydrogen 2.913 N/A ARG 23.A NH1 SER 12.A OG no hydrogen 2.855 N/A ARG 23.A NH1 TYR 13.A O no hydrogen 3.160 N/A ARG 23.A NH1 TRP 14.A O no hydrogen 3.355 N/A ARG 23.A NH2 TRP 14.A O no hydrogen 2.926 N/A ARG 23.A NH2 ALA 204.A O no hydrogen 2.934 N/A LEU 24.A N TRP 20.A O no hydrogen 2.892 N/A GLY 25.A N ARG 21.A O no hydrogen 3.097 N/A LEU 26.A N VAL 22.A O no hydrogen 2.942 N/A ALA 27.A N ARG 23.A O no hydrogen 2.938 N/A LEU 28.A N LEU 24.A O no hydrogen 2.892 N/A LYS 29.A N GLY 25.A O no hydrogen 3.095 N/A LYS 29.A NZ GLU 79.A OE1 no hydrogen 2.705 N/A LYS 29.A NZ HIS 82.A O no hydrogen 2.738 N/A LYS 29.A NZ PRO 85.A O no hydrogen 2.812 N/A GLY 30.A N ALA 27.A O no hydrogen 2.989 N/A LEU 31.A N LEU 26.A O no hydrogen 2.906 N/A GLU 34.A N LEU 8.A O no hydrogen 2.858 N/A TYR 35.A OH SER 12.A OG no hydrogen 2.850 N/A TYR 35.A OH ASP 211.A OD1 no hydrogen 2.610 N/A ARG 36.A N LEU 10.A O no hydrogen 2.784 N/A ARG 36.A NH1 ALA 37.A O no hydrogen 2.814 N/A VAL 38.A N SER 12.A O no hydrogen 2.890 N/A ALA 42.A N ASP 39.A OD1 no hydrogen 2.969 N/A GLN 43.A N ASP 39.A O no hydrogen 3.063 N/A GLN 43.A NE2 SER 52.A OG no hydrogen 2.669 N/A GLU 44.A N LEU 40.A O no hydrogen 3.001 N/A GLN 45.A N LEU 41.A O no hydrogen 2.916 N/A PHE 46.A N ALA 42.A O no hydrogen 2.882 N/A GLN 47.A N GLN 43.A O no hydrogen 2.896 N/A ALA 48.A N GLU 44.A O no hydrogen 3.038 N/A ALA 49.A N GLN 45.A O no hydrogen 3.279 N/A HIS 50.A N PHE 46.A O no hydrogen 3.094 N/A LEU 57.A N LEU 68.A O no hydrogen 2.879 N/A GLU 58.A N ARG 9.A O no hydrogen 2.773 N/A VAL 59.A N HIS 66.A O no hydrogen 2.850 N/A GLU 60.A N THR 7.A O no hydrogen 2.945 N/A GLU 61.A N ARG 64.A O no hydrogen 2.970 N/A ARG 64.A N GLU 61.A O no hydrogen 2.806 N/A HIS 66.A N VAL 59.A O no hydrogen 2.827 N/A LEU 68.A N LEU 57.A O no hydrogen 2.863 N/A SER 71.A OG TYR 167.A OH no hydrogen 2.806 N/A ILE 74.A N GLN 70.A O no hydrogen 2.920 N/A LEU 75.A N SER 71.A O no hydrogen 2.867 N/A GLU 76.A N MET 72.A O no hydrogen 2.914 N/A TRP 77.A N ALA 73.A O no hydrogen 2.979 N/A LEU 78.A N ILE 74.A O no hydrogen 2.947 N/A GLU 79.A N LEU 75.A O no hydrogen 2.948 N/A GLU 80.A N GLU 76.A O no hydrogen 3.057 N/A ARG 81.A N TRP 77.A O no hydrogen 2.808 N/A ARG 81.A NH1 ARG 81.A O no hydrogen 2.780 N/A ARG 81.A NH2 PHE 3.A O no hydrogen 2.953 N/A HIS 82.A N LEU 78.A O no hydrogen 2.824 N/A LEU 87.A N GLU 79.A OE1 no hydrogen 2.866 N/A LEU 87.A N GLU 79.A OE2 no hydrogen 3.158 N/A LEU 88.A N GLU 79.A OE2 no hydrogen 3.036 N/A GLY 94.A N ASP 91.A OD2 no hydrogen 3.008 N/A ARG 95.A N ASP 91.A O no hydrogen 3.061 N/A ARG 95.A NH1 PRO 89.A O no hydrogen 2.944 N/A ALA 96.A N LEU 92.A O no hydrogen 3.038 N/A ARG 97.A N TRP 93.A O no hydrogen 2.966 N/A VAL 98.A N GLY 94.A O no hydrogen 2.919 N/A ARG 99.A N ARG 95.A O no hydrogen 2.943 N/A ARG 99.A NE GLU 76.A OE2 no hydrogen 2.717 N/A ARG 99.A NH2 GLU 76.A OE1 no hydrogen 2.938 N/A ARG 99.A NH2 GLU 76.A OE2 no hydrogen 3.535 N/A ALA 100.A N ALA 96.A O no hydrogen 2.974 N/A LEU 101.A N ARG 97.A O no hydrogen 3.021 N/A ALA 102.A N VAL 98.A O no hydrogen 3.003 N/A GLU 103.A N ARG 99.A O no hydrogen 2.833 N/A HIS 104.A N ALA 100.A O no hydrogen 2.884 N/A ASN 106.A N ALA 102.A O no hydrogen 2.802 N/A ASN 106.A ND2 GLU 103.A OE1 no hydrogen 2.970 N/A SER 107.A N GLU 103.A O no hydrogen 2.855 N/A SER 107.A OG GLU 103.A O no hydrogen 2.881 N/A GLY 108.A N GLU 103.A O no hydrogen 3.199 N/A THR 109.A N VAL 105.A O no hydrogen 3.327 N/A THR 109.A OG1 HIS 104.A O no hydrogen 2.807 N/A GLN 110.A N VAL 105.A O no hydrogen 3.021 N/A MET 112.A N THR 109.A O no hydrogen 3.126 N/A GLN 113.A N GLN 110.A O no hydrogen 2.995 N/A ASN 114.A N PRO 111.A O no hydrogen 3.423 N/A VAL 117.A N ASN 114.A OD1 no hydrogen 2.976 N/A LEU 118.A N ASN 114.A O no hydrogen 2.994 N/A ARG 119.A N ALA 115.A O no hydrogen 2.929 N/A ARG 119.A NH1 GLU 123.A OE2 no hydrogen 2.765 N/A MET 120.A N LEU 116.A O no hydrogen 2.981 N/A LEU 121.A N VAL 117.A O no hydrogen 3.013 N/A ARG 122.A N LEU 118.A O no hydrogen 3.066 N/A ARG 122.A NH2 ASP 129.A OD2 no hydrogen 2.890 N/A GLU 123.A N ARG 119.A O no hydrogen 3.034 N/A LYS 124.A N LEU 121.A O no hydrogen 3.246 N/A VAL 125.A N LEU 121.A O no hydrogen 2.859 N/A TRP 128.A N VAL 125.A O no hydrogen 3.024 N/A TRP 132.A N TRP 128.A O no hydrogen 2.900 N/A TRP 132.A NE1 MET 112.A O no hydrogen 2.806 N/A ALA 133.A N ASP 129.A O no hydrogen 2.885 N/A ARG 134.A N ARG 130.A O no hydrogen 3.017 N/A ARG 134.A NH1 PHE 178.A O no hydrogen 2.787 N/A PHE 135.A N GLU 131.A O no hydrogen 3.010 N/A PHE 136.A N TRP 132.A O no hydrogen 2.994 N/A ILE 137.A N ALA 133.A O no hydrogen 2.902 N/A ALA 138.A N ARG 134.A O no hydrogen 2.959 N/A ARG 139.A N PHE 135.A O no hydrogen 3.090 N/A GLY 140.A N PHE 136.A O no hydrogen 3.135 N/A LEU 141.A N ILE 137.A O no hydrogen 2.824 N/A ALA 142.A N ALA 138.A O no hydrogen 2.892 N/A ALA 143.A N ARG 139.A O no hydrogen 3.153 N/A LEU 144.A N GLY 140.A O no hydrogen 3.008 N/A GLU 145.A N LEU 141.A O no hydrogen 2.772 N/A THR 146.A N ALA 142.A O no hydrogen 3.271 N/A THR 146.A OG1 ALA 142.A O no hydrogen 3.207 N/A ALA 147.A N ALA 143.A O no hydrogen 3.047 N/A VAL 148.A N LEU 144.A O no hydrogen 2.793 N/A ARG 149.A N GLU 145.A O no hydrogen 2.980 N/A ALA 152.A N ARG 149.A O no hydrogen 3.226 N/A ARG 154.A N ASP 159.A OD1 no hydrogen 3.381 N/A PHE 155.A N GLY 158.A O no hydrogen 2.956 N/A SER 156.A N ASP 165.A OD1 no hydrogen 2.896 N/A SER 156.A OG ASP 165.A OD1 no hydrogen 2.623 N/A THR 162.A N ASP 165.A OD2 no hydrogen 2.901 N/A LEU 163.A N LEU 87.A O no hydrogen 2.887 N/A ALA 164.A N THR 162.A OG1 no hydrogen 3.252 N/A ASP 165.A N THR 162.A O no hydrogen 2.995 N/A CYS 166.A N THR 162.A O no hydrogen 3.410 N/A CYS 166.A SG THR 162.A O no hydrogen 3.740 N/A TYR 167.A N LEU 163.A O no hydrogen 3.306 N/A TYR 167.A N ALA 164.A O no hydrogen 3.294 N/A TYR 167.A OH SER 71.A OG no hydrogen 2.806 N/A LEU 168.A N ALA 164.A O no hydrogen 2.992 N/A VAL 169.A N ASP 165.A O no hydrogen 3.136 N/A GLN 171.A N TYR 167.A O no hydrogen 3.420 N/A GLN 171.A NE2 GLN 171.A O no hydrogen 3.187 N/A LEU 172.A N LEU 168.A O no hydrogen 3.000 N/A TYR 173.A N VAL 169.A O no hydrogen 3.212 N/A ASN 174.A N PRO 170.A O no hydrogen 3.093 N/A ASN 174.A ND2 SER 17.A OG.B no hydrogen 2.289 N/A ALA 175.A N GLN 171.A O no hydrogen 2.952 N/A ARG 176.A N LEU 172.A O no hydrogen 2.998 N/A ARG 176.A NH2 ASP 192.A OD2 no hydrogen 2.241 N/A ARG 177.A N TYR 173.A O no hydrogen 3.016 N/A ARG 177.A NE PRO 220.A O no hydrogen 3.238 N/A ARG 177.A NE PRO 220.A OXT no hydrogen 2.819 N/A ARG 177.A NH2 PRO 220.A O no hydrogen 2.941 N/A PHE 178.A N ASN 174.A O no hydrogen 3.168 N/A GLY 179.A N ARG 176.A O no hydrogen 2.868 N/A LEU 180.A N ALA 175.A O no hydrogen 3.021 N/A GLU 183.A N ASP 181.A OD1 no hydrogen 3.112 N/A TYR 185.A N LEU 182.A O no hydrogen 3.042 N/A THR 187.A N GLU 145.A OE2 no hydrogen 3.118 N/A THR 187.A OG1 GLU 145.A OE2 no hydrogen 2.627 N/A LEU 188.A N GLU 145.A OE1 no hydrogen 3.045 N/A ARG 189.A N TYR 185.A O no hydrogen 2.991 N/A ARG 189.A NE LEU 182.A O no hydrogen 2.820 N/A ARG 189.A NH2 GLU 183.A O no hydrogen 2.900 N/A ARG 190.A N PRO 186.A O no hydrogen 3.015 N/A ARG 190.A NH1 GLY 153.A O no hydrogen 2.976 N/A ARG 190.A NH2 GLY 153.A O no hydrogen 2.939 N/A VAL 191.A N THR 187.A O no hydrogen 2.986 N/A ASP 192.A N LEU 188.A O no hydrogen 2.884 N/A GLU 193.A N ARG 189.A O no hydrogen 3.010 N/A ALA 194.A N ARG 190.A O no hydrogen 3.105 N/A CYS 195.A N VAL 191.A O no hydrogen 2.955 N/A CYS 195.A SG VAL 191.A O no hydrogen 3.465 N/A ALA 196.A N ASP 192.A O no hydrogen 2.945 N/A LEU 198.A N CYS 195.A O no hydrogen 2.969 N/A GLN 202.A N LEU 198.A O no hydrogen 3.010 N/A GLN 202.A NE2 ALA 196.A O no hydrogen 2.981 N/A ALA 203.A N ALA 199.A O no hydrogen 2.911 N/A ALA 204.A N PRO 200.A O no hydrogen 3.278 N/A ALA 204.A N PHE 201.A O no hydrogen 3.188 N/A HIS 205.A N GLN 202.A O no hydrogen 3.441 N/A ASP 207.A N HIS 205.A ND1 no hydrogen 2.977 N/A ARG 208.A N HIS 205.A O no hydrogen 3.027 N/A GLN 209.A N PRO 206.A O no hydrogen 3.102 N/A GLN 209.A NE2 ALA 203.A O no hydrogen 2.957 N/A GLN 209.A NE2 HIS 205.A O no hydrogen 2.831 N/A ASP 211.A N ASP 211.A OD1 no hydrogen 2.749 N/A ALA 212.A N GLN 209.A O no hydrogen 3.108 N/A ARG 217.A N PRO 214.A O no hydrogen 2.941 N/A ARG 218.A N PRO 215.A O no hydrogen 3.365 N/A ARG 218.A NE PRO 213.A O no hydrogen 2.930 N/A ARG 218.A NH1 ASP 207.A OD1 no hydrogen 2.693 N/A ARG 218.A NH2 PRO 213.A O no hydrogen 2.939 N/A