Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLN 2.A OE1 no hydrogen 2.926 N/A SER 14.A N ALA 11.A O no hydrogen 2.894 N/A SER 14.A OG.A ALA 11.A O no hydrogen 3.113 N/A SER 14.A OG.B ALA 11.A O no hydrogen 2.679 N/A LEU 15.A N SER 12.A O no hydrogen 3.082 N/A PHE 16.A N ASP 13.A O no hydrogen 3.030 N/A ILE 17.A N PHE 35.A O no hydrogen 2.936 N/A SER 18.A OG.A ASP 92.A OD2 no hydrogen 2.627 N/A SER 18.A OG.B ASP 92.A OD2 no hydrogen 2.556 N/A CYS 19.A N GLU 33.A O no hydrogen 2.988 N/A CYS 19.A SG GLU 33.A O no hydrogen 3.934 N/A THR 20.A N VAL 90.A O no hydrogen 2.875 N/A VAL 21.A N SER 30.A O no hydrogen 3.055 N/A PHE 22.A N VAL 88.A O no hydrogen 2.897 N/A ASN 23.A N ASN 27.A O no hydrogen 2.822 N/A LYS 25.A N ASN 23.A OD1 no hydrogen 2.893 N/A GLY 26.A N ASN 23.A O no hydrogen 2.924 N/A ASN 27.A N ASN 23.A OD1 no hydrogen 2.988 N/A ILE 28.A N GLU 110.A OE2 no hydrogen 3.006 N/A ILE 29.A N VAL 21.A O no hydrogen 2.882 N/A SER 30.A OG GLU 33.A OE1 no hydrogen 2.630 N/A GLU 33.A N CYS 19.A O no hydrogen 2.941 N/A PHE 35.A N ILE 17.A O no hydrogen 2.867 N/A LYS 37.A N LEU 15.A O no hydrogen 2.917 N/A LYS 37.A NZ SER 14.A O no hydrogen 2.673 N/A PHE 40.A N PRO 36.A O no hydrogen 2.877 N/A LEU 41.A N LYS 37.A O no hydrogen 3.003 N/A THR 42.A N TRP 38.A O no hydrogen 3.126 N/A THR 42.A OG1 TRP 38.A O no hydrogen 3.171 N/A GLU 43.A N SER 39.A O no hydrogen 2.865 N/A HIS 44.A N PHE 40.A O no hydrogen 3.129 N/A HIS 44.A N LEU 41.A O no hydrogen 3.093 N/A SER 45.A N THR 42.A O no hydrogen 3.112 N/A LEU 46.A N LEU 41.A O no hydrogen 2.874 N/A PHE 47.A N ASP 50.A OD2 no hydrogen 2.876 N/A ASP 50.A N PHE 47.A O no hydrogen 2.759 N/A LEU 51.A N PRO 48.A O no hydrogen 3.091 N/A LYS 53.A N ASP 50.A O no hydrogen 2.864 N/A LYS 53.A NZ.A THR 64.A OG1.A no hydrogen 3.054 N/A LYS 53.A NZ.B ASP 50.A OD1 no hydrogen 2.848 N/A ILE 54.A N LEU 51.A O no hydrogen 3.011 N/A ASP 55.A N LEU 51.A O no hydrogen 2.942 N/A SER 57.A N ASP 55.A OD1 no hydrogen 3.069 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.640 N/A THR 64.A N ASN 75.A O no hydrogen 2.897 N/A THR 64.A OG1.A ILE 62.A O no hydrogen 3.058 N/A MET 66.A N VAL 73.A O no hydrogen 2.807 N/A CYS 67.A SG ASP 199.A O no hydrogen 3.818 N/A LYS 68.A N CYS 71.A O no hydrogen 2.898 N/A LYS 68.A NZ SER 45.A O no hydrogen 3.103 N/A ILE 72.A N ILE 83.A O no hydrogen 2.810 N/A VAL 73.A N MET 66.A O no hydrogen 2.935 N/A ILE 74.A N ALA 81.A O no hydrogen 2.859 N/A ASN 75.A N THR 64.A O no hydrogen 2.883 N/A ASN 75.A ND2 LYS 53.A O no hydrogen 2.875 N/A ASN 75.A ND2 ILE 74.A O no hydrogen 2.841 N/A LEU 76.A N ILE 79.A O no hydrogen 2.887 N/A HIS 78.A NE2 ASN 134.A OD1 no hydrogen 2.687 N/A ILE 79.A N LEU 76.A O no hydrogen 2.847 N/A LYS 80.A NZ ARG 52.A O no hydrogen 2.750 N/A LYS 80.A NZ ASP 55.A O no hydrogen 2.750 N/A LYS 80.A NZ SER 57.A O no hydrogen 2.852 N/A LYS 80.A NZ SER 57.A OG no hydrogen 3.405 N/A ALA 81.A N ILE 74.A O no hydrogen 2.908 N/A LEU 82.A N TYR 89.A O no hydrogen 2.895 N/A ILE 83.A N ILE 72.A O no hydrogen 2.804 N/A GLU 84.A N LYS 87.A O no hydrogen 2.851 N/A VAL 88.A N PHE 22.A O no hydrogen 3.206 N/A TYR 89.A N LEU 82.A O no hydrogen 2.898 N/A VAL 90.A N THR 20.A O no hydrogen 2.915 N/A PHE 91.A N LYS 80.A O no hydrogen 2.946 N/A ASP 92.A N SER 18.A O.A no hydrogen 2.934 N/A ASP 92.A N SER 18.A O.B no hydrogen 2.833 N/A THR 94.A N ASN 56.A O no hydrogen 3.215 N/A THR 94.A OG1 ASN 56.A O no hydrogen 3.335 N/A ASN 95.A N THR 93.A OG1 no hydrogen 3.034 N/A ALA 98.A N ASN 95.A OD1 no hydrogen 2.884 N/A ALA 99.A N ASN 95.A O no hydrogen 2.901 N/A ALA 100.A N PRO 96.A O no hydrogen 3.023 N/A LYS 101.A N SER 97.A O no hydrogen 3.204 N/A LEU 102.A N ALA 98.A O no hydrogen 2.813 N/A SER 103.A N ALA 99.A O no hydrogen 3.102 N/A SER 103.A N ALA 100.A O no hydrogen 3.268 N/A SER 103.A OG.A ALA 100.A O no hydrogen 2.680 N/A VAL 104.A N LYS 101.A O no hydrogen 3.165 N/A LEU 105.A N LYS 101.A O no hydrogen 3.145 N/A MET 106.A N.A LEU 102.A O no hydrogen 2.910 N/A MET 106.A N.B LEU 102.A O no hydrogen 2.928 N/A TYR 107.A N SER 103.A O no hydrogen 3.429 N/A ASP 108.A N VAL 104.A O no hydrogen 3.015 N/A LEU 109.A N LEU 105.A O no hydrogen 2.704 N/A GLU 110.A N MET 106.A O.A no hydrogen 2.929 N/A GLU 110.A N MET 106.A O.B no hydrogen 3.040 N/A SER 111.A N TYR 107.A O no hydrogen 3.107 N/A LYS 112.A N ASP 108.A O no hydrogen 2.962 N/A LEU 113.A N LEU 109.A O no hydrogen 2.823 N/A SER 114.A N GLU 110.A O no hydrogen 2.999 N/A SER 114.A OG GLU 110.A O no hydrogen 2.604 N/A LYS 117.A N SER 115.A OG no hydrogen 2.995 N/A ASN 118.A N SER 115.A OG no hydrogen 3.159 N/A GLN 121.A NE2 GLU 129.A OE1 no hydrogen 3.020 N/A TYR 123.A OH ASN 23.A O no hydrogen 2.807 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.774 N/A HIS 125.A N PHE 122.A O no hydrogen 2.947 N/A HIS 125.A NE2 MET 203.A O no hydrogen 2.803 N/A ARG 126.A N PHE 122.A O no hydrogen 2.914 N/A ARG 126.A NE LEU 113.A O no hydrogen 3.254 N/A ARG 126.A NH1 GLN 121.A O no hydrogen 2.556 N/A ARG 126.A NH2 LEU 113.A O no hydrogen 2.809 N/A ALA 127.A N TYR 123.A O no hydrogen 3.016 N/A LEU 128.A N GLU 124.A O no hydrogen 2.955 N/A GLU 129.A N HIS 125.A O no hydrogen 2.864 N/A SER 130.A N.A ARG 126.A O no hydrogen 3.009 N/A SER 130.A N.B ARG 126.A O no hydrogen 3.015 N/A SER 130.A OG.A ARG 126.A O no hydrogen 3.019 N/A ILE 131.A N ALA 127.A O no hydrogen 3.057 N/A PHE 132.A N LEU 128.A O no hydrogen 2.934 N/A ILE 133.A N GLU 129.A O no hydrogen 2.853 N/A ASN 134.A N SER 130.A O.A no hydrogen 3.007 N/A ASN 134.A N SER 130.A O.B no hydrogen 3.008 N/A VAL 135.A N ILE 131.A O no hydrogen 2.856 N/A MET 136.A N PHE 132.A O no hydrogen 2.881 N/A SER 137.A N.A ILE 133.A O no hydrogen 3.020 N/A SER 137.A N.B ILE 133.A O no hydrogen 3.024 N/A SER 137.A OG.A ILE 133.A O no hydrogen 3.174 N/A ALA 138.A N ASN 134.A O no hydrogen 3.235 N/A LEU 139.A N VAL 135.A O no hydrogen 3.006 N/A GLU 140.A N MET 136.A O no hydrogen 2.769 N/A THR 141.A N SER 137.A O.A no hydrogen 3.033 N/A THR 141.A N SER 137.A O.B no hydrogen 3.044 N/A THR 141.A OG1 SER 137.A O.A no hydrogen 3.090 N/A THR 141.A OG1 SER 137.A O.B no hydrogen 3.082 N/A ASP 142.A N ALA 138.A O no hydrogen 3.139 N/A PHE 143.A N LEU 139.A O no hydrogen 2.774 N/A LYS 144.A N GLU 140.A O no hydrogen 2.948 N/A LYS 144.A NZ GLU 140.A OE2 no hydrogen 2.770 N/A LEU 145.A N THR 141.A O no hydrogen 3.058 N/A HIS 146.A N ASP 142.A O no hydrogen 3.028 N/A SER 147.A N PHE 143.A O no hydrogen 2.922 N/A SER 147.A OG PHE 143.A O no hydrogen 2.675 N/A GLN 148.A N LYS 144.A O no hydrogen 3.138 N/A ILE 149.A N LEU 145.A O no hydrogen 3.378 N/A CYS 150.A N HIS 146.A O no hydrogen 3.135 N/A CYS 150.A SG HIS 146.A O no hydrogen 3.400 N/A ILE 151.A N SER 147.A O no hydrogen 2.863 N/A GLN 152.A N GLN 148.A O no hydrogen 3.035 N/A ILE 153.A N ILE 149.A O no hydrogen 3.042 N/A LEU 154.A N CYS 150.A O no hydrogen 2.905 N/A ASN 155.A N ILE 151.A O no hydrogen 2.903 N/A ASP 156.A N GLN 152.A O no hydrogen 3.003 N/A LEU 157.A N ILE 153.A O no hydrogen 2.917 N/A GLU 158.A N LEU 154.A O no hydrogen 2.981 N/A ASN 159.A N ASN 155.A O no hydrogen 3.215 N/A GLU 160.A N ASP 156.A O no hydrogen 3.080 N/A LYS 165.A N ASN 162.A OD1 no hydrogen 2.921 N/A LYS 165.A NZ ASP 156.A O no hydrogen 3.318 N/A LYS 165.A NZ ASP 156.A OD1.A no hydrogen 3.304 N/A LYS 165.A NZ GLU 160.A O no hydrogen 3.247 N/A LEU 166.A N ASN 162.A O no hydrogen 2.966 N/A ARG 167.A N ARG 163.A O no hydrogen 2.933 N/A HIS 168.A N LEU 164.A O no hydrogen 2.984 N/A LEU 169.A N LYS 165.A O no hydrogen 2.860 N/A LEU 170.A N LEU 166.A O no hydrogen 3.103 N/A ILE 171.A N ARG 167.A O no hydrogen 3.055 N/A LYS 172.A N HIS 168.A O no hydrogen 2.952 N/A LYS 172.A NZ HIS 168.A NE2 no hydrogen 3.067 N/A SER 173.A N LEU 169.A O no hydrogen 2.782 N/A SER 173.A OG LEU 170.A O no hydrogen 2.582 N/A LYS 174.A N ILE 171.A O no hydrogen 3.154 N/A LEU 176.A N LYS 172.A O no hydrogen 3.296 N/A THR 177.A N SER 173.A O no hydrogen 2.833 N/A THR 177.A OG1 SER 173.A O no hydrogen 3.063 N/A LEU 178.A N LYS 174.A O no hydrogen 2.947 N/A PHE 179.A N ASP 175.A O no hydrogen 2.933 N/A TYR 180.A N LEU 176.A O no hydrogen 2.856 N/A GLN 181.A N THR 177.A O no hydrogen 2.956 N/A LYS 182.A N LEU 178.A O no hydrogen 3.136 N/A THR 183.A N PHE 179.A O no hydrogen 3.035 N/A THR 183.A OG1 PHE 179.A O no hydrogen 2.832 N/A LEU 184.A N TYR 180.A O no hydrogen 2.805 N/A LEU 185.A N GLN 181.A O no hydrogen 3.300 N/A ILE 186.A N LYS 182.A O no hydrogen 3.412 N/A ARG 187.A N THR 183.A O no hydrogen 2.879 N/A ARG 187.A NE ASP 188.A OD1 no hydrogen 2.818 N/A ARG 187.A NH1 ASP 230.A OD1 no hydrogen 2.781 N/A ARG 187.A NH2 ASP 188.A OD1 no hydrogen 2.949 N/A ASP 188.A N LEU 184.A O no hydrogen 2.928 N/A LEU 189.A N LEU 185.A O no hydrogen 3.037 N/A LEU 190.A N ILE 186.A O no hydrogen 2.961 N/A ASP 191.A N ARG 187.A O no hydrogen 2.933 N/A GLU 192.A N ASP 188.A O no hydrogen 2.992 N/A LEU 193.A N LEU 189.A O no hydrogen 3.033 N/A LEU 194.A N LEU 190.A O no hydrogen 3.042 N/A GLU 195.A N ASP 191.A O no hydrogen 3.233 N/A GLU 195.A N GLU 192.A O no hydrogen 3.200 N/A ASN 196.A N LEU 193.A O no hydrogen 3.063 N/A ASP 199.A N ASN 196.A OD1 no hydrogen 2.961 N/A LEU 200.A N ASN 196.A O no hydrogen 3.000 N/A ALA 201.A N ASP 197.A O no hydrogen 2.881 N/A ASN 202.A N ASP 198.A O no hydrogen 2.963 N/A ASN 202.A ND2 CYS 67.A O no hydrogen 3.018 N/A MET 203.A N ASP 199.A O no hydrogen 3.029 N/A MET 203.A N LEU 200.A O no hydrogen 3.047 N/A TYR 204.A N ALA 201.A O no hydrogen 3.201 N/A LEU 205.A N GLU 124.A OE2 no hydrogen 2.812 N/A THR 206.A N GLU 124.A OE2 no hydrogen 2.956 N/A THR 206.A OG1 GLU 124.A OE1 no hydrogen 2.724 N/A THR 206.A OG1 GLU 124.A OE2 no hydrogen 3.467 N/A SER 210.A N ASP 213.A OD2 no hydrogen 2.727 N/A LYS 212.A N SER 210.A OG.B no hydrogen 3.098 N/A ASP 213.A N SER 210.A O no hydrogen 2.949 N/A SER 216.A N ASN 214.A OD1 no hydrogen 2.872 N/A SER 216.A OG.B ASN 214.A OD1 no hydrogen 3.113 N/A GLU 219.A N PHE 215.A O no hydrogen 2.832 N/A MET 220.A N SER 216.A O no hydrogen 2.810 N/A LEU 221.A N ASP 217.A O no hydrogen 3.141 N/A ILE 222.A N LEU 218.A O no hydrogen 2.970 N/A GLU 223.A N GLU 219.A O no hydrogen 2.800 N/A THR 224.A N MET 220.A O no hydrogen 3.106 N/A THR 224.A OG1 MET 220.A O no hydrogen 2.909 N/A TYR 225.A OH GLU 129.A OE2 no hydrogen 2.645 N/A TYR 226.A N ILE 222.A O no hydrogen 2.807 N/A THR 227.A N GLU 223.A O no hydrogen 2.869 N/A THR 227.A OG1 GLU 223.A O no hydrogen 3.094 N/A GLN 228.A N THR 224.A O no hydrogen 3.412 N/A GLN 228.A NE2 TYR 232.A OH no hydrogen 3.092 N/A CYS 229.A N TYR 225.A O no hydrogen 2.983 N/A CYS 229.A SG.A THR 183.A O no hydrogen 3.603 N/A ASP 230.A N TYR 226.A O no hydrogen 2.715 N/A GLU 231.A N THR 227.A O no hydrogen 2.895 N/A TYR 232.A N GLN 228.A O no hydrogen 3.181 N/A VAL 233.A N CYS 229.A O no hydrogen 3.057 N/A GLN 234.A N ASP 230.A O no hydrogen 2.865 N/A GLN 234.A NE2 ASP 230.A OD2 no hydrogen 2.781 N/A GLN 235.A N GLU 231.A O no hydrogen 2.892 N/A SER 236.A N.A TYR 232.A O no hydrogen 2.946 N/A SER 236.A N.B TYR 232.A O no hydrogen 2.942 N/A SER 236.A OG.A TYR 232.A O no hydrogen 2.823 N/A SER 236.A OG.A VAL 233.A O no hydrogen 3.272 N/A SER 236.A OG.B TYR 232.A O no hydrogen 2.774 N/A GLU 237.A N VAL 233.A O no hydrogen 2.906 N/A SER 238.A N GLN 234.A O no hydrogen 3.009 N/A SER 238.A OG.B GLN 234.A O no hydrogen 3.087 N/A LEU 239.A N GLN 235.A O no hydrogen 3.010 N/A ILE 240.A N SER 236.A O.A no hydrogen 2.979 N/A ILE 240.A N SER 236.A O.B no hydrogen 2.827 N/A GLN 241.A N GLU 237.A O no hydrogen 2.999 N/A ASP 242.A N SER 238.A O no hydrogen 2.923 N/A ILE 243.A N LEU 239.A O no hydrogen 2.943 N/A LYS 244.A N ILE 240.A O no hydrogen 2.982 N/A SER 245.A N.A GLN 241.A O no hydrogen 2.902 N/A SER 245.A N.B GLN 241.A O no hydrogen 2.898 N/A SER 245.A OG.A GLN 241.A O no hydrogen 3.105 N/A SER 245.A OG.A GLN 241.A OE1 no hydrogen 3.053 N/A THR 246.A N ASP 242.A O no hydrogen 2.912 N/A THR 246.A OG1 ASP 242.A O no hydrogen 3.141 N/A GLU 247.A N ILE 243.A O no hydrogen 2.907 N/A GLU 248.A N LYS 244.A O no hydrogen 3.088 N/A ILE 249.A N SER 245.A O.A no hydrogen 2.944 N/A ILE 249.A N SER 245.A O.B no hydrogen 2.894 N/A VAL 250.A N THR 246.A O no hydrogen 2.821 N/A ASN 251.A N GLU 247.A O no hydrogen 2.958 N/A ILE 252.A N GLU 248.A O no hydrogen 3.120 N/A ILE 253.A N ILE 249.A O no hydrogen 3.052 N/A LEU 254.A N VAL 250.A O no hydrogen 2.813 N/A ASP 255.A N ASN 251.A O no hydrogen 2.942 N/A ALA 256.A N ILE 252.A O no hydrogen 2.916 N/A ASN 257.A N LEU 254.A O no hydrogen 3.302 N/A ASN 257.A ND2 ILE 253.A O no hydrogen 2.977 N/A ARG 258.A N ASP 255.A O no hydrogen 3.007 N/A ARG 258.A NE ASP 255.A OD1 no hydrogen 3.037 N/A ARG 258.A NE ASP 255.A OD2 no hydrogen 3.463 N/A