Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ktn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N MET 1.A O no hydrogen 2.871 N/A ALA 6.A N THR 2.A O no hydrogen 2.974 N/A SER 7.A N ASP 3.A O no hydrogen 2.930 N/A SER 7.A OG ASP 3.A O no hydrogen 3.413 N/A SER 7.A OG LEU 4.A O no hydrogen 2.869 N/A SER 8.A N LEU 4.A O no hydrogen 2.933 N/A SER 8.A OG LEU 4.A O no hydrogen 2.765 N/A LEU 9.A N LYS 5.A O no hydrogen 3.113 N/A ARG 10.A N ALA 6.A O no hydrogen 3.163 N/A ARG 10.A NH1 ASP 220.A OD1 no hydrogen 2.942 N/A ARG 10.A NH1 ASP 220.A OD2 no hydrogen 3.132 N/A ARG 10.A NH2 ASP 220.A OD1 no hydrogen 3.408 N/A ALA 11.A N SER 7.A O no hydrogen 2.824 N/A LEU 12.A N SER 8.A O no hydrogen 2.956 N/A LYS 13.A N LEU 9.A O no hydrogen 3.128 N/A LEU 14.A N ALA 11.A O no hydrogen 3.017 N/A MET 15.A N LEU 12.A O no hydrogen 3.201 N/A ASP 16.A N PHE 235.A O no hydrogen 2.799 N/A LEU 17.A N ALA 45.A O no hydrogen 2.863 N/A THR 18.A N ALA 237.A O no hydrogen 2.879 N/A THR 18.A OG1 ASP 16.A O no hydrogen 2.738 N/A THR 19.A N CYS 47.A O no hydrogen 3.135 N/A THR 19.A OG1 ASN 21.A OD1 no hydrogen 3.335 N/A THR 19.A OG1 ASP 24.A OD1 no hydrogen 2.855 N/A THR 19.A OG1 ASP 24.A OD2 no hydrogen 3.243 N/A ASN 21.A N ASP 24.A OD1 no hydrogen 3.389 N/A ASP 24.A N ASN 21.A O no hydrogen 3.234 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.170 N/A LYS 28.A NZ ASP 23.A O no hydrogen 2.756 N/A LYS 28.A NZ ASP 23.A OD2 no hydrogen 2.673 N/A VAL 29.A N THR 25.A O no hydrogen 3.029 N/A ILE 30.A N ASP 26.A O no hydrogen 2.864 N/A ALA 31.A N GLU 27.A O no hydrogen 3.019 N/A LEU 32.A N LYS 28.A O no hydrogen 3.020 N/A CYS 33.A N VAL 29.A O no hydrogen 2.955 N/A CYS 33.A SG VAL 29.A O no hydrogen 3.415 N/A CYS 33.A SG ALA 56.A O no hydrogen 3.883 N/A HIS 34.A N ILE 30.A O no hydrogen 3.111 N/A GLN 35.A N ALA 31.A O no hydrogen 2.975 N/A ALA 36.A N LEU 32.A O no hydrogen 2.973 N/A LYS 37.A N HIS 34.A O no hydrogen 3.261 N/A LYS 37.A NZ GLN 63.A O no hydrogen 2.845 N/A THR 38.A N GLY 41.A O no hydrogen 3.013 N/A THR 38.A OG1 GLY 41.A O no hydrogen 2.638 N/A VAL 40.A N THR 38.A OG1 no hydrogen 3.194 N/A GLY 41.A N THR 38.A O no hydrogen 3.295 N/A THR 43.A N ALA 36.A O no hydrogen 3.102 N/A THR 43.A OG1 ALA 45.A O no hydrogen 3.090 N/A ALA 45.A N MET 15.A O no hydrogen 3.071 N/A ILE 46.A N ARG 69.A O no hydrogen 2.930 N/A CYS 47.A N LEU 17.A O no hydrogen 2.775 N/A ILE 48.A N ALA 71.A O no hydrogen 3.104 N/A PHE 52.A N TYR 49.A O no hydrogen 3.056 N/A ILE 53.A N PRO 50.A O no hydrogen 3.057 N/A ALA 56.A N PHE 52.A O no hydrogen 3.062 N/A ARG 57.A N ILE 53.A O no hydrogen 2.869 N/A ARG 57.A NH1 ASP 99.A OD2 no hydrogen 2.880 N/A ARG 57.A NH2 GLY 97.A O no hydrogen 2.710 N/A ARG 57.A NH2 ASP 99.A OD1 no hydrogen 2.926 N/A ARG 57.A NH2 ASP 99.A OD2 no hydrogen 3.123 N/A LYS 58.A N PRO 54.A O no hydrogen 3.195 N/A THR 59.A N ILE 55.A O no hydrogen 2.945 N/A THR 59.A OG1 ILE 55.A O no hydrogen 2.756 N/A LEU 60.A N ALA 56.A O no hydrogen 2.885 N/A LYS 61.A N ARG 57.A O no hydrogen 2.995 N/A GLU 62.A N LYS 58.A O no hydrogen 2.958 N/A GLN 63.A N THR 59.A O no hydrogen 3.198 N/A GLY 64.A N LYS 61.A O no hydrogen 3.101 N/A THR 65.A N LEU 60.A O no hydrogen 2.932 N/A THR 65.A OG1 LEU 60.A O no hydrogen 3.285 N/A THR 65.A OG1 GLN 63.A OE1 no hydrogen 2.880 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.687 N/A ILE 68.A N THR 65.A O no hydrogen 3.201 N/A ARG 69.A N ALA 44.A O no hydrogen 3.083 N/A ARG 69.A NH1 ALA 44.A O no hydrogen 3.112 N/A ILE 70.A N ASP 99.A OD2 no hydrogen 2.895 N/A ALA 71.A N ILE 46.A O no hydrogen 2.836 N/A THR 72.A N GLU 100.A O no hydrogen 3.055 N/A THR 72.A OG1 ILE 48.A O no hydrogen 2.683 N/A THR 74.A N ASP 102.A O no hydrogen 3.116 N/A THR 74.A OG1 THR 90.A OG1 no hydrogen 3.157 N/A ASN 75.A N GLU 89.A OE1 no hydrogen 2.705 N/A ASN 75.A ND2 ASN 80.A O no hydrogen 3.005 N/A ASN 75.A ND2 VAL 104.A O no hydrogen 2.923 N/A GLY 79.A N ASN 75.A O no hydrogen 3.014 N/A ILE 85.A N ASP 82.A OD1 no hydrogen 2.966 N/A ALA 86.A N ASP 82.A O no hydrogen 3.139 N/A LEU 87.A N ILE 83.A O no hydrogen 2.837 N/A ALA 88.A N ASP 84.A O no hydrogen 2.938 N/A GLU 89.A N ILE 85.A O no hydrogen 2.956 N/A THR 90.A N ALA 86.A O no hydrogen 3.031 N/A THR 90.A OG1 THR 74.A OG1 no hydrogen 3.157 N/A THR 90.A OG1 ALA 86.A O no hydrogen 2.857 N/A ARG 91.A N LEU 87.A O no hydrogen 2.853 N/A ALA 92.A N ALA 88.A O no hydrogen 2.971 N/A ALA 93.A N GLU 89.A O no hydrogen 2.890 N/A ILE 94.A N THR 90.A O no hydrogen 2.997 N/A ALA 95.A N ARG 91.A O no hydrogen 2.955 N/A TYR 96.A N ALA 92.A O no hydrogen 2.875 N/A GLY 97.A N ALA 93.A O no hydrogen 3.284 N/A GLY 97.A N ILE 94.A O no hydrogen 2.969 N/A ALA 98.A N ALA 93.A O no hydrogen 3.112 N/A ASP 99.A N ILE 70.A O no hydrogen 2.842 N/A GLU 100.A N ILE 70.A O no hydrogen 3.237 N/A VAL 101.A N LEU 135.A O no hydrogen 2.906 N/A ASP 102.A N THR 72.A O no hydrogen 2.752 N/A VAL 103.A N LYS 137.A O no hydrogen 2.867 N/A VAL 104.A N THR 74.A O no hydrogen 3.111 N/A PHE 105.A N ILE 139.A O no hydrogen 2.768 N/A TYR 107.A N PHE 105.A O no hydrogen 2.721 N/A ARG 108.A NH1 HIS 78.A O no hydrogen 2.622 N/A ARG 108.A NH2 HIS 78.A O no hydrogen 3.223 N/A LEU 110.A N PRO 106.A O no hydrogen 3.212 N/A MET 111.A N TYR 107.A O no hydrogen 2.963 N/A ALA 112.A N ARG 108.A O no hydrogen 2.943 N/A GLY 113.A N LEU 110.A O no hydrogen 2.864 N/A ASN 114.A N ALA 109.A O no hydrogen 2.851 N/A GLN 116.A NE2 ASP 120.A OD1 no hydrogen 2.884 N/A VAL 117.A N ASN 114.A OD1 no hydrogen 2.959 N/A ASP 120.A N GLN 116.A O no hydrogen 2.900 N/A LEU 121.A N VAL 117.A O no hydrogen 2.796 N/A VAL 122.A N GLY 118.A O no hydrogen 3.092 N/A LYS 123.A N PHE 119.A O no hydrogen 2.926 N/A ALA 124.A N ASP 120.A O no hydrogen 2.985 N/A CYS 125.A N LEU 121.A O no hydrogen 3.105 N/A CYS 125.A SG LEU 121.A O no hydrogen 3.794 N/A CYS 125.A SG VAL 122.A O no hydrogen 2.804 N/A LYS 126.A N VAL 122.A O no hydrogen 2.808 N/A LYS 126.A NZ GLY 162.A O no hydrogen 2.679 N/A LYS 126.A NZ ASP 164.A OD1 no hydrogen 3.379 N/A GLU 127.A N LYS 123.A O no hydrogen 2.940 N/A ALA 128.A N ALA 124.A O no hydrogen 3.295 N/A CYS 129.A N CYS 125.A O no hydrogen 2.950 N/A CYS 129.A SG CYS 125.A O no hydrogen 3.420 N/A ALA 130.A N LYS 126.A O no hydrogen 2.790 N/A ALA 131.A N GLU 127.A O no hydrogen 3.138 N/A ALA 132.A N CYS 129.A O no hydrogen 2.884 N/A ASN 133.A N ALA 130.A O no hydrogen 3.091 N/A VAL 134.A N CYS 129.A O no hydrogen 2.872 N/A LEU 135.A N ASP 99.A O no hydrogen 3.184 N/A LEU 136.A N ASP 164.A OD2 no hydrogen 2.806 N/A LYS 137.A N VAL 101.A O no hydrogen 2.805 N/A LYS 137.A NZ ASP 16.A OD2 no hydrogen 3.020 N/A LYS 137.A NZ GLU 100.A OE1 no hydrogen 2.833 N/A LYS 137.A NZ ASP 102.A OD1 no hydrogen 2.807 N/A LYS 137.A NZ ASP 102.A OD2 no hydrogen 3.506 N/A VAL 138.A N PHE 165.A O no hydrogen 2.904 N/A ILE 139.A N VAL 103.A O no hydrogen 2.775 N/A ILE 140.A N LYS 167.A O no hydrogen 3.070 N/A THR 142.A N THR 168.A O no hydrogen 2.899 N/A THR 142.A OG1 THR 168.A O no hydrogen 3.452 N/A GLU 144.A N GLU 141.A O no hydrogen 3.020 N/A LEU 145.A N GLU 141.A O no hydrogen 3.113 N/A LYS 146.A N THR 142.A O no hydrogen 2.904 N/A ASP 147.A N LEU 145.A O no hydrogen 2.679 N/A ILE 151.A N ASP 147.A O no hydrogen 3.002 N/A ARG 152.A N GLU 148.A O no hydrogen 2.917 N/A ARG 152.A NE GLU 148.A OE2 no hydrogen 3.171 N/A ARG 152.A NH1 GLU 187.A OE1 no hydrogen 3.378 N/A ARG 152.A NH2 GLU 148.A OE2 no hydrogen 2.821 N/A ARG 152.A NH2 GLU 187.A OE1 no hydrogen 2.686 N/A LYS 153.A N ALA 149.A O no hydrogen 2.936 N/A LYS 153.A NZ GLU 156.A OE1 no hydrogen 3.387 N/A ALA 154.A N LEU 150.A O no hydrogen 2.902 N/A SER 155.A N ILE 151.A O no hydrogen 3.081 N/A SER 155.A OG ILE 151.A O no hydrogen 2.841 N/A GLU 156.A N ARG 152.A O no hydrogen 2.843 N/A ILE 157.A N LYS 153.A O no hydrogen 2.909 N/A SER 158.A N ALA 154.A O no hydrogen 3.007 N/A SER 158.A OG ALA 154.A O no hydrogen 2.771 N/A ILE 159.A N SER 155.A O no hydrogen 2.936 N/A LYS 160.A N GLU 156.A O no hydrogen 2.924 N/A ALA 161.A N ILE 157.A O no hydrogen 2.922 N/A GLY 162.A N ILE 159.A O no hydrogen 3.045 N/A ALA 163.A N SER 158.A O no hydrogen 2.968 N/A ASP 164.A N LEU 136.A O no hydrogen 2.832 N/A PHE 165.A N LEU 136.A O no hydrogen 3.290 N/A ILE 166.A N GLY 199.A O no hydrogen 3.020 N/A LYS 167.A N VAL 138.A O no hydrogen 2.740 N/A LYS 167.A NZ ASP 102.A OD2 no hydrogen 3.024 N/A THR 168.A N LYS 201.A O no hydrogen 3.144 N/A THR 168.A OG1 SER 169.A OG no hydrogen 2.971 N/A THR 168.A OG1 ALA 203.A O no hydrogen 3.227 N/A SER 169.A OG THR 168.A OG1 no hydrogen 2.971 N/A SER 169.A OG ALA 203.A O no hydrogen 3.440 N/A THR 170.A N GLU 141.A OE1 no hydrogen 2.926 N/A THR 170.A OG1 GLU 141.A OE1 no hydrogen 3.487 N/A THR 170.A OG1 GLU 141.A OE2 no hydrogen 2.659 N/A LYS 172.A N THR 170.A OG1 no hydrogen 2.965 N/A LYS 172.A NZ LEU 20.A O no hydrogen 2.547 N/A ASN 176.A ND2 VAL 173.A O no hydrogen 2.985 N/A ALA 177.A N ALA 203.A O no hydrogen 3.199 N/A ALA 177.A N GLY 204.A O no hydrogen 3.380 N/A THR 178.A OG1 SER 181.A OG no hydrogen 3.129 N/A SER 181.A N THR 178.A OG1 no hydrogen 2.953 N/A SER 181.A OG THR 178.A OG1 no hydrogen 3.129 N/A ALA 182.A N THR 178.A O no hydrogen 2.974 N/A ARG 183.A N PRO 179.A O no hydrogen 3.003 N/A ARG 183.A NH1 GLU 221.A OE2 no hydrogen 3.035 N/A ARG 183.A NH2 GLU 221.A OE1 no hydrogen 3.269 N/A ILE 184.A N GLU 180.A O no hydrogen 3.013 N/A MET 185.A N SER 181.A O no hydrogen 3.005 N/A MET 186.A N ALA 182.A O no hydrogen 2.921 N/A GLU 187.A N ARG 183.A O no hydrogen 2.835 N/A VAL 188.A N ILE 184.A O no hydrogen 3.111 N/A ILE 189.A N MET 185.A O no hydrogen 3.229 N/A ARG 190.A N MET 186.A O no hydrogen 2.913 N/A ARG 190.A NE ASP 191.A OD1 no hydrogen 3.160 N/A ARG 190.A NH2 ASP 191.A OD1 no hydrogen 3.142 N/A ASP 191.A N GLU 187.A O no hydrogen 2.707 N/A MET 192.A N VAL 188.A O no hydrogen 2.845 N/A GLY 193.A N ARG 190.A O no hydrogen 2.972 N/A VAL 194.A N ILE 189.A O no hydrogen 3.089 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.782 N/A THR 197.A N VAL 194.A O no hydrogen 3.038 N/A THR 197.A OG1 VAL 194.A O no hydrogen 3.406 N/A VAL 198.A N VAL 194.A O no hydrogen 2.891 N/A GLY 199.A N ASP 164.A O no hydrogen 2.864 N/A PHE 200.A N HIS 232.A O no hydrogen 2.863 N/A LYS 201.A N ILE 166.A O no hydrogen 3.082 N/A LYS 201.A NZ ASP 16.A OD2 no hydrogen 2.730 N/A LYS 201.A NZ ASP 102.A OD2 no hydrogen 2.797 N/A ALA 203.A N THR 168.A OG1 no hydrogen 2.967 N/A GLY 204.A N GLY 236.A O no hydrogen 3.305 N/A THR 208.A N ASP 211.A OD2 no hydrogen 3.067 N/A THR 208.A OG1 GLU 210.A OE1 no hydrogen 3.530 N/A ALA 209.A N SER 243.A OG no hydrogen 3.005 N/A ASP 211.A N THR 208.A OG1 no hydrogen 3.012 N/A ALA 212.A N THR 208.A O no hydrogen 3.044 N/A GLN 213.A N ALA 209.A O no hydrogen 2.999 N/A LYS 214.A N GLU 210.A O no hydrogen 3.221 N/A LYS 214.A NZ GLU 210.A O no hydrogen 3.457 N/A TYR 215.A N ASP 211.A O no hydrogen 3.090 N/A LEU 216.A N ALA 212.A O no hydrogen 3.005 N/A ALA 217.A N GLN 213.A O no hydrogen 2.964 N/A ILE 218.A N LYS 214.A O no hydrogen 3.285 N/A ASP 220.A N LEU 216.A O no hydrogen 2.979 N/A GLU 221.A N ALA 217.A O no hydrogen 2.975 N/A LEU 222.A N ILE 218.A O no hydrogen 3.018 N/A PHE 223.A N ALA 219.A O no hydrogen 2.844 N/A GLY 224.A N ASP 220.A O no hydrogen 2.841 N/A TRP 227.A N GLY 224.A O no hydrogen 3.260 N/A TRP 227.A NE1 GLU 195.A O no hydrogen 2.859 N/A ASP 229.A N TRP 227.A O no hydrogen 2.814 N/A ARG 231.A NH1 ASP 164.A O no hydrogen 3.066 N/A ARG 231.A NH1 ARG 231.A O no hydrogen 2.768 N/A ARG 231.A NH2 THR 197.A O no hydrogen 3.021 N/A HIS 232.A N ASP 229.A O no hydrogen 2.933 N/A HIS 232.A N ASP 229.A OD1 no hydrogen 3.106 N/A HIS 232.A ND1 ASP 229.A OD1 no hydrogen 2.719 N/A HIS 232.A NE2 LYS 196.A O no hydrogen 2.883 N/A TYR 233.A N ASP 229.A O no hydrogen 2.869 N/A ARG 234.A N PHE 200.A O no hydrogen 3.162 N/A ARG 234.A NE ALA 230.A O no hydrogen 2.682 N/A ARG 234.A NH1 ASP 16.A OD1 no hydrogen 2.853 N/A ARG 234.A NH1 GLU 100.A OE1 no hydrogen 2.887 N/A ARG 234.A NH1 GLU 100.A OE2 no hydrogen 3.476 N/A ARG 234.A NH2 GLU 100.A OE2 no hydrogen 2.812 N/A ARG 234.A NH2 ALA 230.A O no hydrogen 3.128 N/A PHE 235.A N LEU 14.A O no hydrogen 2.954 N/A GLY 236.A N PRO 202.A O no hydrogen 2.985 N/A LEU 241.A N SER 238.A O no hydrogen 3.096 N/A ALA 242.A N SER 239.A O no hydrogen 3.217 N/A LEU 244.A N LEU 240.A O no hydrogen 2.974 N/A LEU 245.A N LEU 241.A O no hydrogen 2.976 N/A LYS 246.A N ALA 242.A O no hydrogen 3.010 N/A ALA 247.A N SER 243.A O no hydrogen 3.005 N/A LEU 248.A N LEU 244.A O no hydrogen 3.113 N/A LEU 248.A N LEU 245.A O no hydrogen 3.081 N/A GLY 249.A N LYS 246.A O no hydrogen 2.977 N/A HIS 250.A N LEU 245.A O no hydrogen 2.731 N/A