Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.947 N/A ALA 5.A N ARG 28.A O no hydrogen 2.696 N/A VAL 6.A N VAL 88.A O no hydrogen 2.865 N/A VAL 7.A N VAL 30.A O no hydrogen 3.151 N/A THR 8.A N VAL 90.A O no hydrogen 3.111 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.472 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.971 N/A ALA 10.A N HIS 32.A O no hydrogen 2.839 N/A ARG 13.A NH1 LEU 188.A O no hydrogen 2.913 N/A ARG 13.A NH2 LEU 187.A O no hydrogen 2.883 N/A ARG 16.A N LYS 12.A O no hydrogen 3.147 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.275 N/A ALA 17.A N ARG 13.A O no hydrogen 3.084 N/A ILE 18.A N ILE 14.A O no hydrogen 2.874 N/A ALA 19.A N GLY 15.A O no hydrogen 2.863 N/A VAL 20.A N ARG 16.A O no hydrogen 2.798 N/A LYS 21.A N ALA 17.A O no hydrogen 2.998 N/A LYS 21.A NZ GLU 214.A OE1 no hydrogen 2.508 N/A LYS 21.A NZ ASP 218.A OD1 no hydrogen 3.152 N/A LEU 22.A N ILE 18.A O no hydrogen 2.833 N/A HIS 23.A N ALA 19.A O no hydrogen 2.880 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.673 N/A GLN 24.A N VAL 20.A O no hydrogen 2.750 N/A THR 25.A N LYS 21.A O no hydrogen 3.029 N/A THR 25.A N LEU 22.A O no hydrogen 3.120 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.737 N/A GLY 26.A N HIS 23.A O no hydrogen 2.934 N/A TYR 27.A N LEU 22.A O no hydrogen 2.870 N/A ARG 28.A N PRO 3.A O no hydrogen 2.774 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.072 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.772 N/A ARG 28.A NH2 PHE 83.A O no hydrogen 3.139 N/A VAL 29.A N THR 54.A O no hydrogen 2.917 N/A VAL 30.A N ALA 5.A O no hydrogen 2.801 N/A ILE 31.A N VAL 56.A O no hydrogen 2.732 N/A HIS 32.A N VAL 7.A O no hydrogen 3.136 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.874 N/A TYR 33.A N CYS 58.A O no hydrogen 3.026 N/A ALA 37.A N ASN 35.A O no hydrogen 2.849 N/A ALA 40.A N SER 36.A O no hydrogen 2.949 N/A VAL 41.A N ALA 37.A O no hydrogen 3.057 N/A SER 42.A N GLU 38.A O no hydrogen 2.992 N/A LEU 43.A N ALA 39.A O no hydrogen 2.999 N/A ALA 44.A N ALA 40.A O no hydrogen 2.954 N/A ASP 45.A N VAL 41.A O no hydrogen 2.833 N/A GLU 46.A N SER 42.A O no hydrogen 2.993 N/A LEU 47.A N LEU 43.A O no hydrogen 2.962 N/A ASN 48.A N ALA 44.A O no hydrogen 2.863 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.785 N/A LYS 49.A N ASP 45.A O no hydrogen 3.011 N/A GLU 50.A N LEU 47.A O no hydrogen 3.181 N/A ARG 51.A N LEU 47.A O no hydrogen 3.035 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.039 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.097 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.791 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.673 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.571 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.936 N/A VAL 56.A N VAL 29.A O no hydrogen 3.081 N/A CYS 58.A N ILE 31.A O no hydrogen 2.914 N/A CYS 58.A SG SER 78.A OG.A no hydrogen 3.395 N/A CYS 58.A SG SER 78.A OG.B no hydrogen 3.652 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.869 N/A ALA 60.A N TYR 33.A O no hydrogen 2.968 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.151 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.812 N/A ASN 64.A N ALA 110.A O no hydrogen 2.827 N/A VAL 67.A N SER 65.A OG no hydrogen 3.145 N/A LEU 68.A N SER 65.A O no hydrogen 3.185 N/A SER 71.A N VAL 67.A O no hydrogen 3.031 N/A SER 71.A OG VAL 67.A O no hydrogen 3.447 N/A CYS 72.A N LEU 68.A O no hydrogen 2.888 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.479 N/A CYS 72.A SG ALA 119.A O no hydrogen 3.931 N/A GLU 73.A N PRO 69.A O no hydrogen 2.790 N/A GLU 74.A N ALA 70.A O no hydrogen 2.849 N/A ILE 75.A N SER 71.A O no hydrogen 3.004 N/A ILE 76.A N CYS 72.A O no hydrogen 3.254 N/A ASN 77.A N GLU 73.A O no hydrogen 2.923 N/A SER 78.A N GLU 74.A O no hydrogen 2.854 N/A SER 78.A OG.A GLU 74.A O no hydrogen 2.918 N/A SER 78.A OG.A GLU 74.A OE2 no hydrogen 3.218 N/A SER 78.A OG.B ILE 75.A O no hydrogen 2.580 N/A CYS 79.A N ILE 75.A O no hydrogen 3.413 N/A CYS 79.A N ILE 76.A O no hydrogen 3.027 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.289 N/A PHE 80.A N ILE 76.A O no hydrogen 3.213 N/A ARG 81.A N ASN 77.A O no hydrogen 2.690 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.877 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 3.124 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 3.208 N/A ALA 82.A N SER 78.A O no hydrogen 3.021 N/A PHE 83.A N CYS 79.A O no hydrogen 2.804 N/A GLY 84.A N PHE 80.A O no hydrogen 2.912 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.764 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 2.969 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.982 N/A ASP 87.A N ALA 4.A O no hydrogen 2.748 N/A VAL 88.A N ALA 4.A O no hydrogen 3.248 N/A LEU 89.A N SER 135.A O no hydrogen 3.113 N/A VAL 90.A N VAL 6.A O no hydrogen 2.783 N/A ASN 91.A N VAL 137.A O no hydrogen 2.827 N/A ASN 91.A ND2 ASN 138.A OD1 no hydrogen 2.886 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.889 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.132 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.938 N/A SER 94.A OG.A ALA 95.A O no hydrogen 3.316 N/A ALA 95.A N THR 115.A OG1 no hydrogen 3.071 N/A TYR 97.A OH GLU 111.A OE1 no hydrogen 2.562 N/A THR 99.A N ALA 149.A O no hydrogen 2.682 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.905 N/A THR 104.A OG1 THR 107.A OG1 no hydrogen 2.827 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.014 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 2.827 N/A GLN 108.A N THR 104.A O no hydrogen 3.008 N/A VAL 109.A N VAL 105.A O no hydrogen 2.841 N/A ALA 110.A N GLU 106.A O no hydrogen 3.054 N/A GLU 111.A N THR 107.A O no hydrogen 2.994 N/A LEU 112.A N GLN 108.A O no hydrogen 2.823 N/A ILE 113.A N VAL 109.A O no hydrogen 2.839 N/A THR 115.A N GLU 111.A O no hydrogen 2.875 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.513 N/A THR 115.A OG1 ASN 116.A OD1 no hydrogen 3.447 N/A ASN 116.A ND2 SER 94.A OG.A no hydrogen 2.691 N/A ALA 117.A N ILE 113.A O no hydrogen 3.063 N/A ILE 118.A N ILE 113.A O no hydrogen 2.938 N/A ALA 119.A N GLY 114.A O no hydrogen 2.773 N/A PHE 121.A N ALA 117.A O no hydrogen 3.012 N/A LEU 122.A N ILE 118.A O no hydrogen 2.891 N/A LEU 123.A N ALA 119.A O no hydrogen 2.741 N/A THR 124.A N PRO 120.A O no hydrogen 2.903 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.640 N/A MET 125.A N PHE 121.A O no hydrogen 2.930 N/A SER 126.A N LEU 122.A O no hydrogen 2.862 N/A SER 126.A OG LEU 122.A O no hydrogen 3.299 N/A PHE 127.A N LEU 123.A O no hydrogen 2.720 N/A ALA 128.A N THR 124.A O no hydrogen 2.899 N/A GLN 129.A N MET 125.A O no hydrogen 2.808 N/A ARG 130.A N SER 126.A O no hydrogen 2.976 N/A ARG 130.A NH1 ASN 77.A OD1 no hydrogen 2.354 N/A GLN 131.A N ALA 128.A O no hydrogen 3.249 N/A GLN 131.A NE2 CYS 86.A O no hydrogen 2.820 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.194 N/A ASN 133.A ND2 VAL 224.A O no hydrogen 2.545 N/A SER 135.A N ASP 87.A O no hydrogen 3.099 N/A ILE 136.A N ARG 177.A O no hydrogen 2.870 N/A VAL 137.A N LEU 89.A O no hydrogen 2.924 N/A ASN 138.A N ASN 179.A O no hydrogen 2.892 N/A ASN 138.A ND2 THR 164.A OG1 no hydrogen 2.785 N/A LEU 139.A N ASN 91.A O no hydrogen 2.889 N/A CYS 140.A N VAL 181.A O no hydrogen 2.777 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.661 N/A ALA 142.A N PRO 183.A O no hydrogen 2.880 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.885 N/A VAL 144.A N ASP 141.A O no hydrogen 3.225 N/A GLN 146.A N MET 143.A O no hydrogen 2.918 N/A GLN 146.A NE2 SER 243.A O no hydrogen 2.977 N/A SER 151.A OG.A THR 99.A O no hydrogen 3.553 N/A LEU 152.A N THR 99.A OG1 no hydrogen 3.287 N/A TYR 153.A OH ASP 141.A OD2 no hydrogen 2.548 N/A ASN 154.A N PHE 150.A O no hydrogen 2.866 N/A ASN 154.A ND2 VAL 144.A O no hydrogen 2.804 N/A MET 155.A N SER 151.A O no hydrogen 2.786 N/A GLY 156.A N LEU 152.A O no hydrogen 2.946 N/A LYS 157.A N TYR 153.A O no hydrogen 3.018 N/A LYS 157.A NZ LEU 139.A O no hydrogen 2.670 N/A HIS 158.A N ASN 154.A O no hydrogen 2.889 N/A ALA 159.A N MET 155.A O no hydrogen 2.829 N/A LEU 160.A N GLY 156.A O no hydrogen 2.971 N/A VAL 161.A N LYS 157.A O no hydrogen 3.013 N/A GLY 162.A N HIS 158.A O no hydrogen 3.095 N/A LEU 163.A N ALA 159.A O no hydrogen 2.810 N/A THR 164.A N LEU 160.A O no hydrogen 2.849 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.786 N/A GLN 165.A N VAL 161.A O no hydrogen 3.048 N/A SER 166.A N GLY 162.A O no hydrogen 2.814 N/A SER 166.A OG GLY 162.A O no hydrogen 3.183 N/A ALA 167.A N LEU 163.A O no hydrogen 2.772 N/A ALA 168.A N THR 164.A O no hydrogen 2.964 N/A LEU 169.A N GLN 165.A O no hydrogen 3.027 N/A GLU 170.A N SER 166.A O no hydrogen 2.926 N/A LEU 171.A N ALA 167.A O no hydrogen 2.786 N/A ALA 172.A N ALA 168.A O no hydrogen 3.092 N/A TYR 174.A N LEU 171.A O no hydrogen 2.900 N/A GLY 175.A N ALA 172.A O no hydrogen 2.860 N/A ILE 176.A N LEU 171.A O no hydrogen 3.206 N/A ARG 177.A N LEU 134.A O no hydrogen 3.128 N/A ARG 177.A NH1 LEU 223.A O no hydrogen 2.812 N/A ARG 177.A NH1 ILE 231.A O no hydrogen 3.095 N/A ARG 177.A NH2 ASN 133.A OD1 no hydrogen 3.182 N/A ARG 177.A NH2 LEU 223.A O no hydrogen 2.779 N/A VAL 178.A N THR 232.A OG1 no hydrogen 2.953 N/A ASN 179.A N ILE 136.A O no hydrogen 2.932 N/A ASN 179.A ND2 ILE 231.A O no hydrogen 2.946 N/A GLY 180.A N SER 234.A O no hydrogen 2.802 N/A VAL 181.A N ASN 138.A O no hydrogen 2.924 N/A ALA 182.A N ILE 236.A O no hydrogen 2.814 N/A GLY 184.A N VAL 238.A O no hydrogen 3.361 N/A SER 186.A OG ALA 211.A O no hydrogen 2.950 N/A MET 192.A N PRO 189.A O no hydrogen 2.944 N/A LYS 197.A N GLY 193.A O no hydrogen 2.987 N/A ASP 198.A N GLU 194.A O no hydrogen 2.819 N/A LYS 199.A N GLU 195.A O no hydrogen 3.113 N/A TRP 200.A N GLU 196.A O no hydrogen 3.352 N/A ARG 201.A N LYS 197.A O no hydrogen 2.950 N/A ARG 201.A NE GLU 210.A OE1 no hydrogen 3.325 N/A ARG 201.A NE GLU 210.A OE2 no hydrogen 2.906 N/A ARG 201.A NH1 GLU 194.A OE2 no hydrogen 2.885 N/A ARG 201.A NH1 ASP 198.A OD1 no hydrogen 2.840 N/A ARG 201.A NH2 GLU 210.A OE1 no hydrogen 2.776 N/A ARG 202.A N ASP 198.A O no hydrogen 2.988 N/A LYS 203.A N TRP 200.A O no hydrogen 2.869 N/A VAL 204.A N ARG 201.A O no hydrogen 3.177 N/A LEU 206.A N GLY 240.A O no hydrogen 2.940 N/A GLY 207.A N PRO 205.A O no hydrogen 2.936 N/A ARG 208.A N VAL 204.A O no hydrogen 3.030 N/A ARG 208.A NH1 ARG 202.A O no hydrogen 2.679 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.642 N/A ALA 211.A N VAL 185.A O no hydrogen 2.924 N/A SER 212.A N GLN 215.A OE1 no hydrogen 2.880 N/A GLN 215.A N SER 212.A OG no hydrogen 3.037 N/A ILE 216.A N SER 212.A O no hydrogen 3.285 N/A ALA 217.A N ALA 213.A O no hydrogen 3.024 N/A ASP 218.A N GLU 214.A O no hydrogen 2.815 N/A ALA 219.A N ILE 216.A O no hydrogen 3.108 N/A VAL 220.A N ILE 216.A O no hydrogen 3.288 N/A ILE 221.A N ALA 217.A O no hydrogen 2.866 N/A PHE 222.A N ASP 218.A O no hydrogen 2.996 N/A LEU 223.A N ALA 219.A O no hydrogen 3.027 N/A VAL 224.A N VAL 220.A O no hydrogen 3.048 N/A SER 225.A N PHE 222.A O no hydrogen 3.027 N/A SER 225.A OG PHE 222.A O no hydrogen 2.704 N/A SER 227.A N SER 225.A OG no hydrogen 3.015 N/A ALA 228.A N SER 225.A O no hydrogen 3.080 N/A GLN 229.A N GLY 226.A O no hydrogen 3.433 N/A ILE 231.A N ALA 228.A O no hydrogen 2.869 N/A GLY 233.A N VAL 178.A O no hydrogen 2.729 N/A SER 234.A N ASN 179.A OD1 no hydrogen 2.991 N/A ILE 236.A N GLY 180.A O no hydrogen 2.856 N/A LYS 237.A NZ SER 243.A OG no hydrogen 3.182 N/A VAL 238.A N ALA 182.A O no hydrogen 2.861 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 3.005 N/A LEU 242.A N ASP 239.A O no hydrogen 3.147 N/A SER 243.A N ASP 239.A OD2 no hydrogen 3.048 N/A SER 243.A OG ASP 239.A OD2 no hydrogen 2.664 N/A LEU 244.A N GLY 241.A O no hydrogen 2.932 N/A VAL 245.A N LEU 242.A O no hydrogen 3.094 N/A HIS 246.A ND1 ALA 247.A OXT no hydrogen 2.532 N/A