Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N TYR 1.A O no hydrogen 2.907 N/A GLU 5.A N TYR 1.A O no hydrogen 3.251 N/A GLU 5.A N GLY 2.A O no hydrogen 3.351 N/A ILE 6.A N VAL 65.A O no hydrogen 2.747 N/A LYS 9.A N ASP 7.A OD1 no hydrogen 3.241 N/A LYS 9.A NZ ASP 7.A OD1 no hydrogen 3.551 N/A LYS 9.A NZ ASP 7.A OD2 no hydrogen 2.817 N/A ASP 10.A N ASP 7.A O no hydrogen 2.752 N/A LEU 11.A N PRO 8.A O no hydrogen 2.830 N/A THR 12.A N LYS 29.A O no hydrogen 2.958 N/A THR 12.A OG1 LYS 29.A O no hydrogen 3.401 N/A LEU 14.A N TYR 27.A O no hydrogen 2.746 N/A LYS 15.A N TYR 27.A O no hydrogen 3.147 N/A LEU 17.A N VAL 25.A O no hydrogen 2.853 N/A GLY 18.A N VAL 25.A O no hydrogen 3.385 N/A GLN 21.A NE2 ASP 141.A OD2 no hydrogen 3.538 N/A VAL 25.A N GLY 18.A O no hydrogen 3.433 N/A LYS 26.A N ILE 38.A O no hydrogen 2.991 N/A TYR 27.A OH ASP 35.A OD2 no hydrogen 2.547 N/A GLY 28.A N VAL 36.A O no hydrogen 3.068 N/A LYS 29.A N THR 12.A O no hydrogen 3.026 N/A LYS 29.A NZ TYR 27.A OH no hydrogen 3.316 N/A LYS 29.A NZ ASP 35.A OD2 no hydrogen 2.770 N/A TRP 30.A N TYR 34.A O no hydrogen 2.768 N/A ARG 31.A N ASP 10.A O no hydrogen 2.764 N/A GLN 33.A N TRP 30.A O no hydrogen 3.146 N/A TYR 34.A N TRP 30.A O no hydrogen 3.047 N/A VAL 36.A N GLY 28.A O no hydrogen 2.917 N/A ALA 37.A N THR 76.A O no hydrogen 3.136 N/A ILE 38.A N LYS 26.A O no hydrogen 2.811 N/A LYS 39.A N ILE 74.A O no hydrogen 2.718 N/A MET 40.A N VAL 24.A O no hydrogen 3.048 N/A ILE 41.A N ILE 72.A O no hydrogen 3.290 N/A LYS 49.A NZ LYS 49.A O no hydrogen 3.370 N/A LYS 49.A NZ ASN 53.A OD1 no hydrogen 3.263 N/A VAL 50.A N GLU 46.A O no hydrogen 2.982 N/A MET 51.A N GLU 47.A O no hydrogen 2.997 N/A MET 52.A N ALA 48.A O no hydrogen 2.603 N/A ASN 53.A N VAL 50.A O no hydrogen 3.022 N/A SER 55.A N TYR 113.A OH no hydrogen 3.029 N/A SER 55.A OG LEU 54.A O no hydrogen 3.083 N/A SER 55.A OG GLN 61.A OE1 no hydrogen 2.445 N/A LYS 58.A N HIS 56.A ND1 no hydrogen 2.902 N/A LYS 58.A NZ ASP 106.A OD2 no hydrogen 3.141 N/A LYS 58.A NZ GLU 109.A OE2 no hydrogen 3.115 N/A LEU 59.A N HIS 56.A O no hydrogen 3.209 N/A VAL 60.A N VAL 139.A O no hydrogen 3.022 N/A GLN 61.A N GLU 77.A OE1 no hydrogen 2.760 N/A GLN 61.A NE2 LEU 62.A O no hydrogen 2.867 N/A TYR 63.A N ILE 75.A O no hydrogen 2.738 N/A GLY 64.A N ILE 75.A O no hydrogen 3.309 N/A VAL 65.A N TRP 4.A O no hydrogen 2.712 N/A CYS 66.A N PHE 73.A O no hydrogen 3.003 N/A CYS 66.A SG ILE 6.A O no hydrogen 3.336 N/A THR 67.A N GLU 5.A OE1 no hydrogen 2.544 N/A LYS 68.A N GLU 5.A OE1 no hydrogen 3.240 N/A PHE 73.A N CYS 66.A O no hydrogen 3.201 N/A ILE 74.A N LYS 39.A O no hydrogen 2.838 N/A ILE 75.A N GLY 64.A O no hydrogen 2.907 N/A THR 76.A N ALA 37.A O no hydrogen 2.973 N/A THR 76.A OG1 GLU 77.A O no hydrogen 2.841 N/A GLU 77.A N GLN 61.A O no hydrogen 2.977 N/A ASN 81.A N VAL 131.A O no hydrogen 2.833 N/A GLY 82.A N MET 79.A O no hydrogen 3.113 N/A LEU 84.A N CYS 129.A O no hydrogen 2.925 N/A TYR 87.A N CYS 83.A O no hydrogen 3.158 N/A LEU 88.A N LEU 84.A O no hydrogen 2.908 N/A ARG 89.A N LEU 85.A O no hydrogen 3.263 N/A ARG 89.A NE GLY 179.A O no hydrogen 2.638 N/A ARG 89.A NH2 GLY 179.A O no hydrogen 2.837 N/A GLU 90.A N TYR 87.A O no hydrogen 3.344 N/A ARG 92.A N GLU 90.A OE1 no hydrogen 2.976 N/A HIS 93.A N GLU 90.A O no hydrogen 3.224 N/A ARG 94.A N MET 91.A O no hydrogen 3.135 N/A GLN 96.A N GLN 99.A OE1 no hydrogen 2.801 N/A LEU 100.A N GLN 96.A O no hydrogen 3.264 N/A LEU 101.A N THR 97.A O no hydrogen 3.019 N/A GLU 102.A N GLN 98.A O no hydrogen 3.032 N/A MET 103.A N GLN 99.A O no hydrogen 3.028 N/A CYS 104.A N LEU 100.A O no hydrogen 3.195 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.515 N/A LYS 105.A N LEU 101.A O no hydrogen 2.974 N/A LYS 105.A NZ GLU 102.A OE1 no hydrogen 3.559 N/A LYS 105.A NZ GLU 109.A OE1 no hydrogen 3.014 N/A ASP 106.A N GLU 102.A O no hydrogen 2.918 N/A VAL 107.A N MET 103.A O no hydrogen 3.155 N/A CYS 108.A N CYS 104.A O no hydrogen 2.763 N/A CYS 108.A SG PHE 229.A O no hydrogen 3.644 N/A GLU 109.A N LYS 105.A O no hydrogen 2.863 N/A ALA 110.A N ASP 106.A O no hydrogen 3.109 N/A MET 111.A N VAL 107.A O no hydrogen 2.863 N/A GLU 112.A N CYS 108.A O no hydrogen 2.702 N/A TYR 113.A N GLU 109.A O no hydrogen 3.084 N/A LEU 114.A N ALA 110.A O no hydrogen 2.972 N/A GLU 115.A N MET 111.A O no hydrogen 2.816 N/A SER 116.A N GLU 112.A O no hydrogen 2.838 N/A SER 116.A OG TYR 113.A O no hydrogen 2.619 N/A LYS 117.A N TYR 113.A O no hydrogen 3.080 N/A LYS 117.A N LEU 114.A O no hydrogen 2.918 N/A GLN 118.A N GLU 115.A O no hydrogen 2.892 N/A PHE 119.A N LEU 114.A O no hydrogen 3.006 N/A HIS 121.A N ASP 164.A OD2 no hydrogen 2.830 N/A HIS 121.A NE2 SER 140.A O no hydrogen 3.152 N/A ARG 122.A N ASP 164.A OD1 no hydrogen 2.926 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 2.756 N/A ALA 126.A N GLU 174.A OE2 no hydrogen 2.816 N/A ARG 127.A NH2 ASP 123.A OD1 no hydrogen 2.891 N/A ASN 128.A N ALA 125.A O no hydrogen 2.945 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.825 N/A ASN 128.A ND2 ASP 123.A OD2 no hydrogen 2.928 N/A CYS 129.A N ALA 126.A O no hydrogen 3.171 N/A CYS 129.A SG ALA 125.A O no hydrogen 3.713 N/A LEU 130.A N LYS 138.A O no hydrogen 2.914 N/A VAL 131.A N GLY 82.A O no hydrogen 2.892 N/A ASN 132.A N VAL 136.A O no hydrogen 3.004 N/A GLN 134.A N ASN 132.A OD1 no hydrogen 2.836 N/A GLY 135.A N ASN 132.A O no hydrogen 3.090 N/A VAL 136.A N ASN 132.A OD1 no hydrogen 2.950 N/A VAL 137.A N ASP 106.A OD1 no hydrogen 3.011 N/A LYS 138.A N LEU 130.A O no hydrogen 2.817 N/A LYS 138.A NZ GLU 57.A O no hydrogen 3.058 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.441 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 2.860 N/A VAL 139.A N LYS 58.A O no hydrogen 2.898 N/A SER 140.A N ASN 128.A O no hydrogen 3.020 N/A SER 140.A OG ASP 141.A OD1 no hydrogen 3.175 N/A VAL 146.A N PHE 144.A O no hydrogen 2.844 N/A ARG 147.A NE ASN 188.A OD1 no hydrogen 2.986 N/A ARG 147.A NH1 PHE 186.A O no hydrogen 2.764 N/A ARG 147.A NH1 ASN 188.A OD1 no hydrogen 3.216 N/A ARG 147.A NH2 PRO 182.A O no hydrogen 2.933 N/A ARG 147.A NH2 TYR 183.A O no hydrogen 2.773 N/A ARG 147.A NH2 PHE 186.A O no hydrogen 3.215 N/A TRP 148.A N PRO 145.A O no hydrogen 2.901 N/A TRP 148.A NE1 GLU 174.A OE2 no hydrogen 2.878 N/A SER 149.A N VAL 146.A O no hydrogen 3.152 N/A SER 149.A OG PRO 145.A O no hydrogen 2.883 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.692 N/A VAL 153.A N PRO 150.A O no hydrogen 3.064 N/A LEU 154.A N PRO 150.A O no hydrogen 3.223 N/A MET 155.A N PRO 151.A O no hydrogen 2.968 N/A TYR 156.A N GLU 152.A O no hydrogen 3.054 N/A SER 157.A N VAL 153.A O no hydrogen 2.892 N/A LYS 158.A N GLU 152.A O no hydrogen 3.096 N/A SER 160.A N SER 163.A OG no hydrogen 2.901 N/A LYS 162.A N SER 160.A OG no hydrogen 3.044 N/A LYS 162.A NZ ARG 226.A O no hydrogen 3.058 N/A LYS 162.A NZ PRO 227.A O no hydrogen 3.133 N/A SER 163.A N SER 160.A O no hydrogen 2.897 N/A SER 163.A OG SER 160.A O no hydrogen 2.863 N/A ASP 164.A N SER 160.A O no hydrogen 3.401 N/A ILE 165.A N SER 161.A O no hydrogen 3.136 N/A TRP 166.A N LYS 162.A O no hydrogen 3.195 N/A ALA 167.A N SER 163.A O no hydrogen 3.254 N/A PHE 168.A N ASP 164.A O no hydrogen 2.864 N/A GLY 169.A N ILE 165.A O no hydrogen 2.984 N/A VAL 170.A N TRP 166.A O no hydrogen 3.094 N/A LEU 171.A N ALA 167.A O no hydrogen 2.740 N/A MET 172.A N PHE 168.A O no hydrogen 2.755 N/A TRP 173.A N GLY 169.A O no hydrogen 3.057 N/A TRP 173.A NE1 TYR 202.A O no hydrogen 2.788 N/A GLU 174.A N VAL 170.A O no hydrogen 2.866 N/A ILE 175.A N LEU 171.A O no hydrogen 2.910 N/A TYR 176.A N MET 172.A O no hydrogen 2.948 N/A SER 177.A N TRP 173.A O no hydrogen 2.896 N/A SER 177.A OG TRP 173.A O no hydrogen 3.091 N/A SER 177.A OG GLU 174.A O no hydrogen 3.285 N/A LEU 178.A N ILE 175.A O no hydrogen 2.918 N/A GLY 179.A N GLU 174.A O no hydrogen 2.856 N/A LYS 180.A N SER 177.A OG no hydrogen 3.217 N/A MET 181.A N GLU 184.A OE2 no hydrogen 3.366 N/A PHE 186.A N TYR 183.A O no hydrogen 2.866 N/A THR 187.A N GLU 190.A OE1 no hydrogen 2.937 N/A GLU 190.A N THR 187.A OG1 no hydrogen 3.216 N/A THR 191.A N THR 187.A O no hydrogen 2.931 N/A THR 191.A OG1 THR 187.A O no hydrogen 2.860 N/A ALA 192.A N ASN 188.A O no hydrogen 3.069 N/A GLU 193.A N SER 189.A O no hydrogen 3.016 N/A HIS 194.A N GLU 190.A O no hydrogen 2.785 N/A ILE 195.A N THR 191.A O no hydrogen 2.740 N/A ALA 196.A N ALA 192.A O no hydrogen 3.105 N/A GLN 197.A N GLU 193.A O no hydrogen 3.150 N/A GLY 198.A N ILE 195.A O no hydrogen 3.047 N/A LEU 199.A N HIS 194.A O no hydrogen 3.204 N/A ARG 200.A NE TRP 219.A O no hydrogen 2.881 N/A ARG 200.A NH1 ILE 195.A O no hydrogen 3.186 N/A ARG 200.A NH1 LEU 199.A O no hydrogen 2.982 N/A ARG 200.A NH1 GLU 221.A OE1 no hydrogen 3.493 N/A ARG 200.A NH2 TRP 219.A O no hydrogen 3.005 N/A ARG 200.A NH2 GLU 221.A OE1 no hydrogen 2.732 N/A ALA 207.A N PRO 204.A O no hydrogen 2.912 N/A LYS 210.A NZ GLU 242.A OE1 no hydrogen 2.445 N/A VAL 211.A N SER 208.A OG no hydrogen 3.103 N/A TYR 212.A N SER 208.A O no hydrogen 2.828 N/A TYR 212.A OH LEU 201.A O no hydrogen 2.563 N/A THR 213.A N GLU 209.A O no hydrogen 3.024 N/A THR 213.A OG1 GLU 209.A O no hydrogen 2.878 N/A ILE 214.A N LYS 210.A O no hydrogen 3.265 N/A MET 215.A N VAL 211.A O no hydrogen 3.075 N/A TYR 216.A N TYR 212.A O no hydrogen 2.688 N/A SER 217.A N THR 213.A O no hydrogen 3.075 N/A SER 217.A N ILE 214.A O no hydrogen 3.230 N/A SER 217.A OG ILE 214.A O no hydrogen 2.584 N/A CYS 218.A N MET 215.A O no hydrogen 3.038 N/A CYS 218.A SG ILE 214.A O no hydrogen 3.649 N/A TRP 219.A N TYR 216.A O no hydrogen 2.928 N/A GLU 225.A N LYS 222.A O no hydrogen 2.888 N/A ARG 226.A N ALA 223.A O no hydrogen 2.970 N/A ARG 226.A NE HIS 220.A O no hydrogen 2.812 N/A ARG 226.A NH1 GLU 152.A OE2 no hydrogen 2.725 N/A ARG 226.A NH1 LYS 162.A O no hydrogen 2.993 N/A ARG 226.A NH2 GLU 152.A OE1 no hydrogen 2.992 N/A ARG 226.A NH2 GLU 152.A OE2 no hydrogen 3.503 N/A ARG 226.A NH2 HIS 220.A O no hydrogen 3.041 N/A PHE 229.A N GLU 115.A OE1 no hydrogen 2.889 N/A LYS 230.A N GLU 115.A OE2 no hydrogen 3.366 N/A ILE 231.A N THR 228.A OG1 no hydrogen 3.185 N/A LEU 232.A N THR 228.A O no hydrogen 2.989 N/A LEU 233.A N PHE 229.A O no hydrogen 2.792 N/A SER 234.A N LYS 230.A O no hydrogen 3.112 N/A ASN 235.A N ILE 231.A O no hydrogen 2.884 N/A ILE 236.A N LEU 232.A O no hydrogen 2.868 N/A LEU 237.A N LEU 233.A O no hydrogen 2.897 N/A ASP 238.A N SER 234.A O no hydrogen 2.958 N/A VAL 239.A N ASN 235.A O no hydrogen 3.014 N/A MET 240.A N ILE 236.A O no hydrogen 2.868 N/A ASP 241.A N LEU 237.A O no hydrogen 2.959 N/A GLU 242.A N ASP 238.A O no hydrogen 3.025 N/A GLU 243.A N VAL 239.A O no hydrogen 2.699 N/A