Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j5i_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 48.A OD1 no hydrogen 2.516 N/A ARG 4.A N TYR 1.A O no hydrogen 3.120 N/A TRP 5.A NE1 ASP 40.A OD2 no hydrogen 2.816 N/A LYS 6.A N GLU 37.A OE2 no hydrogen 2.931 N/A THR 7.A N GLU 37.A OE1 no hydrogen 2.648 N/A THR 7.A OG1 GLU 37.A OE1 no hydrogen 2.590 N/A LYS 9.A N ILE 20.A O no hydrogen 2.968 N/A GLU 11.A N PHE 18.A O no hydrogen 2.972 N/A GLU 13.A N ILE 16.A O no hydrogen 2.856 N/A ILE 16.A N GLU 13.A O no hydrogen 2.979 N/A ALA 17.A N VAL 53.A O no hydrogen 2.795 N/A PHE 18.A N GLU 11.A O no hydrogen 2.871 N/A VAL 19.A N VAL 55.A O no hydrogen 2.754 N/A ILE 20.A N LYS 9.A O no hydrogen 2.892 N/A LEU 21.A N THR 57.A O no hydrogen 2.882 N/A ASN 22.A N THR 7.A O no hydrogen 2.691 N/A ARG 23.A N ASN 28.A OD1 no hydrogen 2.822 N/A ARG 23.A NH1 ALA 29.A O no hydrogen 2.899 N/A ARG 23.A NH1 ASP 68.A OD2 no hydrogen 2.754 N/A ARG 23.A NH2 ASP 68.A OD2 no hydrogen 3.457 N/A LYS 26.A N ARG 23.A O no hydrogen 2.854 N/A ARG 27.A N PRO 24.A O no hydrogen 2.998 N/A ASN 28.A N ARG 23.A O no hydrogen 2.869 N/A ASN 28.A ND2 ALA 59.A O no hydrogen 2.931 N/A ASN 28.A ND2 ALA 62.A O no hydrogen 3.289 N/A ASN 28.A ND2 TRP 63.A O no hydrogen 3.121 N/A ALA 29.A N LYS 26.A O no hydrogen 3.087 N/A MET 30.A N GLY 66.A O no hydrogen 2.772 N/A LEU 34.A N SER 31.A OG no hydrogen 3.147 N/A ASN 35.A N SER 31.A O no hydrogen 2.941 N/A ARG 36.A N PRO 32.A O no hydrogen 3.190 N/A ARG 36.A NH1 GLU 90.A OE1 no hydrogen 2.971 N/A GLU 37.A N THR 33.A O no hydrogen 2.961 N/A MET 38.A N LEU 34.A O no hydrogen 2.779 N/A ILE 39.A N ASN 35.A O no hydrogen 3.077 N/A ASP 40.A N ARG 36.A O no hydrogen 3.234 N/A VAL 41.A N GLU 37.A O no hydrogen 2.833 N/A LEU 42.A N MET 38.A O no hydrogen 2.925 N/A GLU 43.A N ILE 39.A O no hydrogen 2.894 N/A THR 44.A N ASP 40.A O no hydrogen 2.848 N/A THR 44.A OG1 ASP 40.A O no hydrogen 2.736 N/A THR 44.A OG1 ASP 40.A OD1 no hydrogen 3.416 N/A LEU 45.A N VAL 41.A O no hydrogen 2.868 N/A GLU 46.A N LEU 42.A O no hydrogen 3.042 N/A GLN 47.A N THR 44.A O no hydrogen 3.139 N/A ASP 48.A N LEU 45.A O no hydrogen 3.295 N/A ALA 50.A N ASP 48.A OD2 no hydrogen 2.915 N/A ALA 51.A N ASP 48.A O no hydrogen 3.038 N/A GLY 52.A N GLY 15.A O no hydrogen 2.804 N/A VAL 53.A N GLY 15.A O no hydrogen 3.197 N/A LEU 54.A N PRO 105.A O no hydrogen 2.998 N/A VAL 55.A N ALA 17.A O no hydrogen 2.952 N/A LEU 56.A N ILE 107.A O no hydrogen 2.812 N/A THR 57.A N VAL 19.A O no hydrogen 2.817 N/A THR 57.A OG1 MET 109.A O no hydrogen 2.776 N/A THR 57.A OG1 ASN 111.A OD1 no hydrogen 3.173 N/A GLY 58.A N ASN 111.A OD1 no hydrogen 3.153 N/A ALA 59.A N LEU 21.A O no hydrogen 2.766 N/A TRP 63.A N TRP 113.A O no hydrogen 2.845 N/A TRP 63.A NE1 LEU 56.A O no hydrogen 3.000 N/A THR 64.A OG1 ASN 28.A O no hydrogen 2.848 N/A ALA 65.A N ARG 27.A O no hydrogen 2.908 N/A GLY 66.A N THR 64.A OG1 no hydrogen 2.951 N/A ASP 68.A N MET 30.A O no hydrogen 2.942 N/A GLU 71.A N ASP 68.A OD1 no hydrogen 3.369 N/A TYR 72.A N ASP 68.A O no hydrogen 2.929 N/A TYR 72.A OH GLN 84.A OE1 no hydrogen 2.455 N/A PHE 73.A N LEU 69.A O no hydrogen 2.791 N/A ARG 74.A N LYS 70.A O no hydrogen 3.010 N/A ARG 74.A NH1 GLU 71.A OE1 no hydrogen 2.539 N/A GLU 75.A N GLU 71.A O no hydrogen 3.134 N/A VAL 76.A N TYR 72.A O no hydrogen 2.962 N/A ASP 77.A N PHE 73.A O no hydrogen 2.885 N/A ALA 78.A N ARG 74.A O no hydrogen 3.069 N/A GLY 79.A N GLU 75.A O no hydrogen 2.777 N/A LEU 83.A N PRO 80.A O no hydrogen 2.932 N/A GLN 84.A N GLU 81.A O no hydrogen 3.250 N/A LYS 86.A N ILE 82.A O no hydrogen 3.481 N/A LYS 86.A NZ GLU 90.A OE2 no hydrogen 2.768 N/A ILE 87.A N LEU 83.A O no hydrogen 2.937 N/A ARG 88.A N GLN 84.A O no hydrogen 2.987 N/A ARG 89.A N.A GLU 85.A O no hydrogen 2.940 N/A ARG 89.A N.B GLU 85.A O no hydrogen 2.951 N/A GLU 90.A N LYS 86.A O no hydrogen 2.925 N/A ALA 91.A N ILE 87.A O no hydrogen 2.961 N/A SER 92.A N ARG 88.A O no hydrogen 2.996 N/A SER 92.A OG ARG 88.A O no hydrogen 3.415 N/A SER 92.A OG ASN 149.A OD1 no hydrogen 2.981 N/A GLN 93.A N ARG 89.A O.A no hydrogen 2.752 N/A GLN 93.A N ARG 89.A O.B no hydrogen 2.786 N/A TRP 94.A NE1 ASN 35.A OD1 no hydrogen 2.877 N/A GLN 95.A N ALA 91.A O no hydrogen 3.110 N/A TRP 96.A N SER 92.A O no hydrogen 3.132 N/A LYS 97.A N SER 92.A O no hydrogen 2.822 N/A LEU 98.A N GLN 93.A O no hydrogen 2.774 N/A ARG 100.A N TRP 96.A O no hydrogen 2.950 N/A ARG 100.A NH2 GLU 225.A OE2 no hydrogen 3.169 N/A TYR 102.A N LEU 99.A O no hydrogen 3.237 N/A TYR 102.A OH LEU 42.A O no hydrogen 2.564 N/A LYS 104.A NZ LEU 45.A O no hydrogen 2.929 N/A LYS 104.A NZ GLU 46.A O no hydrogen 3.307 N/A LYS 104.A NZ ALA 51.A O no hydrogen 2.548 N/A THR 106.A N ASP 126.A OD1 no hydrogen 3.005 N/A ILE 107.A N LEU 54.A O no hydrogen 2.886 N/A ALA 108.A N LEU 127.A O no hydrogen 2.883 N/A MET 109.A N LEU 56.A O no hydrogen 2.857 N/A VAL 110.A N ILE 129.A O no hydrogen 2.869 N/A ASN 111.A ND2 ALA 62.A O no hydrogen 3.013 N/A CYS 114.A N THR 135.A O no hydrogen 2.954 N/A PHE 115.A N THR 64.A O no hydrogen 2.988 N/A GLY 116.A N GLY 137.A O no hydrogen 3.010 N/A GLY 118.A N PHE 115.A O no hydrogen 3.054 N/A PHE 119.A N GLY 116.A O no hydrogen 2.880 N/A SER 120.A N GLY 117.A O no hydrogen 3.294 N/A LEU 122.A N GLY 118.A O no hydrogen 3.086 N/A VAL 123.A N PHE 119.A O no hydrogen 3.068 N/A VAL 123.A N SER 120.A O no hydrogen 3.264 N/A ALA 124.A N SER 120.A O no hydrogen 2.918 N/A CYS 125.A N PRO 121.A O no hydrogen 2.928 N/A CYS 125.A SG PRO 121.A O no hydrogen 3.405 N/A ASP 126.A N THR 106.A OG1 no hydrogen 2.856 N/A LEU 127.A N THR 106.A O no hydrogen 3.161 N/A ALA 128.A N ASN 186.A OD1 no hydrogen 2.869 N/A ILE 129.A N ALA 108.A O no hydrogen 2.947 N/A CYS 130.A N GLU 187.A O no hydrogen 3.004 N/A CYS 130.A SG ALA 131.A O no hydrogen 3.818 N/A CYS 130.A SG GLY 176.A O no hydrogen 3.612 N/A CYS 130.A SG GLU 187.A O no hydrogen 3.971 N/A CYS 130.A SG SER 188.A OG no hydrogen 3.480 N/A ALA 131.A N VAL 110.A O no hydrogen 2.907 N/A ASP 132.A N VAL 189.A O no hydrogen 2.712 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.690 N/A ALA 134.A N ALA 131.A O no hydrogen 3.045 N/A PHE 136.A N PHE 174.A O no hydrogen 2.779 N/A GLY 137.A N CYS 114.A O no hydrogen 3.293 N/A SER 139.A OG GLY 171.A O no hydrogen 3.147 N/A ASN 142.A N SER 139.A O no hydrogen 2.998 N/A TRP 143.A N GLU 140.A O no hydrogen 2.852 N/A GLY 144.A N ILE 141.A O no hydrogen 3.119 N/A ILE 145.A N GLU 140.A O no hydrogen 3.124 N/A VAL 151.A N GLY 148.A O no hydrogen 3.377 N/A ALA 154.A N LEU 150.A O no hydrogen 2.854 N/A MET 155.A N VAL 151.A O no hydrogen 3.064 N/A ALA 156.A N SER 152.A O no hydrogen 2.861 N/A ASP 157.A N LYS 153.A O no hydrogen 2.870 N/A THR 158.A N MET 155.A O no hydrogen 3.054 N/A THR 158.A OG1 ALA 154.A O no hydrogen 2.786 N/A VAL 159.A N MET 155.A O no hydrogen 2.758 N/A SER 164.A N GLY 160.A O no hydrogen 2.872 N/A SER 164.A OG MET 155.A O no hydrogen 3.433 N/A SER 164.A OG VAL 159.A O no hydrogen 3.293 N/A SER 164.A OG GLY 160.A O no hydrogen 3.192 N/A LEU 165.A N HIS 161.A O no hydrogen 3.034 N/A TYR 166.A N ARG 162.A O no hydrogen 2.911 N/A TYR 167.A N GLN 163.A O no hydrogen 3.158 N/A ILE 168.A N SER 164.A O no hydrogen 2.911 N/A MET 169.A N LEU 165.A O no hydrogen 2.861 N/A THR 170.A N TYR 166.A O no hydrogen 2.974 N/A THR 170.A OG1 TYR 166.A O no hydrogen 2.750 N/A GLY 171.A N TYR 167.A O no hydrogen 3.067 N/A LYS 172.A N THR 170.A OG1 no hydrogen 3.119 N/A LYS 172.A NZ TYR 166.A OH no hydrogen 3.298 N/A PHE 174.A N PHE 136.A O no hydrogen 2.995 N/A GLY 176.A N ASP 132.A O no hydrogen 3.417 N/A GLN 177.A NE2 ASP 132.A OD1 no hydrogen 2.717 N/A ALA 179.A N GLY 175.A O no hydrogen 2.963 N/A ALA 180.A N GLY 176.A O no hydrogen 3.017 N/A GLU 181.A N GLN 177.A O no hydrogen 3.022 N/A MET 182.A N LYS 178.A O no hydrogen 2.876 N/A GLY 183.A N ALA 180.A O no hydrogen 3.119 N/A LEU 184.A N ALA 179.A O no hydrogen 2.967 N/A VAL 185.A N ALA 179.A O no hydrogen 3.465 N/A ASN 186.A N ALA 128.A O no hydrogen 2.828 N/A SER 188.A OG ASP 132.A OD1 no hydrogen 2.694 N/A VAL 189.A N CYS 130.A O no hydrogen 2.958 N/A LEU 191.A N GLU 133.A OE1 no hydrogen 2.809 N/A GLN 193.A N PRO 190.A O no hydrogen 2.852 N/A LEU 194.A N LEU 191.A O no hydrogen 3.184 N/A ARG 195.A NH2 GLU 13.A OE2 no hydrogen 3.084 N/A VAL 197.A N GLN 193.A O no hydrogen 3.030 N/A THR 198.A N LEU 194.A O no hydrogen 2.916 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.869 N/A ILE 199.A N ARG 195.A O no hydrogen 2.874 N/A GLU 200.A N GLU 196.A O no hydrogen 3.003 N/A LEU 201.A N VAL 197.A O no hydrogen 3.136 N/A ALA 202.A N THR 198.A O no hydrogen 2.906 N/A ARG 203.A N ILE 199.A O no hydrogen 2.829 N/A ARG 203.A NH1 GLU 13.A O no hydrogen 3.349 N/A ARG 203.A NH2 ASP 14.A O no hydrogen 2.594 N/A ASN 204.A N GLU 200.A O no hydrogen 3.143 N/A LEU 205.A N LEU 201.A O no hydrogen 3.003 N/A LEU 206.A N ALA 202.A O no hydrogen 2.906 N/A GLU 207.A N ASN 204.A O no hydrogen 3.226 N/A LYS 208.A N LEU 205.A O no hydrogen 3.145 N/A VAL 211.A N ASN 209.A OD1 no hydrogen 2.942 N/A LEU 213.A N ASN 209.A O no hydrogen 2.924 N/A ARG 214.A N PRO 210.A O no hydrogen 2.970 N/A ARG 214.A NE ALA 103.A O no hydrogen 2.731 N/A ALA 215.A N VAL 211.A O no hydrogen 3.070 N/A ALA 216.A N VAL 212.A O no hydrogen 2.937 N/A LYS 217.A N LEU 213.A O no hydrogen 2.952 N/A LYS 217.A NZ TYR 102.A O no hydrogen 2.946 N/A LYS 217.A NZ LYS 104.A O no hydrogen 3.038 N/A LYS 217.A NZ ASP 126.A OD1 no hydrogen 2.715 N/A LYS 217.A NZ ASP 126.A OD2 no hydrogen 3.328 N/A HIS 218.A N ARG 214.A O no hydrogen 3.012 N/A HIS 218.A NE2 TYR 102.A O no hydrogen 2.851 N/A GLY 219.A N ALA 215.A O no hydrogen 2.889 N/A PHE 220.A N ALA 216.A O no hydrogen 3.036 N/A LYS 221.A N LYS 217.A O no hydrogen 3.158 N/A LYS 221.A NZ ARG 100.A O no hydrogen 2.980 N/A LYS 221.A NZ ASP 126.A OD2 no hydrogen 3.065 N/A ARG 222.A N HIS 218.A O no hydrogen 2.955 N/A ARG 222.A NE GLU 225.A OE1 no hydrogen 3.255 N/A ARG 222.A NH1 GLU 225.A OE1 no hydrogen 3.085 N/A CYS 223.A N GLY 219.A O no hydrogen 2.857 N/A CYS 223.A SG PHE 220.A O no hydrogen 3.323 N/A ARG 224.A NH1 ASP 157.A O no hydrogen 2.828 N/A GLU 225.A N ARG 222.A O no hydrogen 2.915 N/A LEU 226.A N CYS 223.A O no hydrogen 3.157 N/A THR 227.A N GLN 230.A OE1 no hydrogen 2.854 N/A GLN 230.A N THR 227.A OG1 no hydrogen 3.159 N/A ASN 231.A N THR 227.A O no hydrogen 2.870 N/A ASN 231.A ND2 CYS 223.A O no hydrogen 2.926 N/A GLU 232.A N TRP 228.A O no hydrogen 2.902 N/A TYR 234.A N GLN 230.A O no hydrogen 2.959 N/A LEU 235.A N ASN 231.A O no hydrogen 2.653 N/A TYR 236.A N GLU 232.A O no hydrogen 3.317 N/A ALA 237.A N ASP 233.A O no hydrogen 2.918 N/A LYS 238.A N TYR 234.A O no hydrogen 2.900 N/A LYS 238.A NZ GLN 241.A OE1 no hydrogen 2.927 N/A LEU 239.A N LEU 235.A O no hydrogen 3.090 N/A ASP 240.A N TYR 236.A O no hydrogen 2.848 N/A GLN 241.A N ALA 237.A O no hydrogen 2.829 N/A SER 242.A N LYS 238.A O no hydrogen 2.929 N/A ARG 243.A N LEU 239.A O no hydrogen 3.114 N/A ARG 243.A NH2 ASP 240.A OD1 no hydrogen 2.646 N/A LEU 244.A N ASP 240.A O no hydrogen 3.041 N/A LEU 245.A N GLN 241.A O no hydrogen 3.116 N/A ASP 246.A N SER 242.A O no hydrogen 2.995 N/A