Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 4.A O no hydrogen 3.412 N/A PHE 4.A N MET 1.A O no hydrogen 2.638 N/A GLN 5.A N ARG 22.A O no hydrogen 2.662 N/A VAL 7.A N LYS 20.A O no hydrogen 2.798 N/A GLU 8.A N LYS 20.A O no hydrogen 3.387 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.858 N/A ILE 10.A N VAL 18.A O no hydrogen 2.869 N/A VAL 18.A N GLY 11.A O no hydrogen 2.870 N/A TYR 19.A N LEU 32.A O no hydrogen 2.788 N/A LYS 20.A N GLU 8.A O no hydrogen 2.673 N/A ALA 21.A N VAL 30.A O no hydrogen 2.857 N/A ARG 22.A N GLN 5.A O no hydrogen 2.808 N/A ASN 23.A N GLU 28.A O no hydrogen 2.591 N/A LYS 24.A N ASN 3.A O no hydrogen 2.601 N/A LYS 24.A NZ MET 1.A O no hydrogen 2.984 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.089 N/A LYS 24.A NZ PHE 4.A O no hydrogen 3.394 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.821 N/A GLY 27.A N ASN 23.A O no hydrogen 2.630 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.361 N/A VAL 30.A N ALA 21.A O no hydrogen 2.802 N/A ALA 31.A N PHE 73.A O no hydrogen 2.874 N/A LEU 32.A N TYR 19.A O no hydrogen 2.613 N/A LYS 33.A N LEU 71.A O no hydrogen 2.741 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 3.231 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 2.394 N/A LYS 34.A N VAL 17.A O no hydrogen 3.017 N/A ILE 35.A N LEU 69.A O no hydrogen 2.796 N/A ILE 42.A N PRO 38.A O no hydrogen 3.039 N/A ARG 43.A N SER 39.A O no hydrogen 3.085 N/A GLU 44.A N THR 40.A O no hydrogen 2.952 N/A ILE 45.A N ALA 41.A O no hydrogen 2.875 N/A SER 46.A N ILE 42.A O no hydrogen 2.865 N/A SER 46.A OG ILE 42.A O no hydrogen 2.732 N/A LEU 47.A N ARG 43.A O no hydrogen 3.040 N/A LEU 48.A N ILE 45.A O no hydrogen 2.833 N/A LYS 49.A N SER 46.A O no hydrogen 3.156 N/A GLU 50.A N LEU 47.A O no hydrogen 3.020 N/A LEU 51.A N LEU 48.A O no hydrogen 3.283 N/A ASN 52.A N GLU 50.A O no hydrogen 2.883 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.418 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.044 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.822 N/A ILE 56.A N HIS 53.A O no hydrogen 2.991 N/A VAL 57.A N LEU 136.A O no hydrogen 2.856 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 2.996 N/A LYS 58.A NZ ASN 52.A OD1 no hydrogen 2.997 N/A LEU 60.A N VAL 72.A O no hydrogen 2.650 N/A ASP 61.A N VAL 72.A O no hydrogen 3.176 N/A ILE 63.A N TYR 70.A O no hydrogen 2.750 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 3.242 N/A THR 65.A N LYS 68.A O no hydrogen 2.903 N/A LYS 68.A N THR 65.A O no hydrogen 2.588 N/A LEU 69.A N ILE 35.A O no hydrogen 3.368 N/A TYR 70.A N ILE 63.A O no hydrogen 2.775 N/A LEU 71.A N LYS 33.A O no hydrogen 2.870 N/A VAL 72.A N ASP 61.A O no hydrogen 2.817 N/A PHE 73.A N ALA 31.A O no hydrogen 2.826 N/A GLU 74.A N LYS 58.A O no hydrogen 2.968 N/A GLN 78.A N ILE 128.A O no hydrogen 3.446 N/A LEU 80.A N LEU 126.A O no hydrogen 2.733 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.983 N/A PHE 83.A N ASP 79.A O no hydrogen 3.034 N/A MET 84.A N LEU 80.A O no hydrogen 2.774 N/A ASP 85.A N LYS 81.A O no hydrogen 2.933 N/A ALA 86.A N LYS 82.A O no hydrogen 2.838 N/A SER 87.A N MET 84.A O no hydrogen 3.061 N/A SER 87.A OG PHE 83.A O no hydrogen 2.842 N/A ALA 88.A N ASP 85.A O no hydrogen 3.199 N/A THR 90.A OG1 GLY 91.A O no hydrogen 3.130 N/A GLY 91.A N SER 87.A O no hydrogen 2.470 N/A LEU 96.A N PRO 93.A O no hydrogen 2.951 N/A ILE 97.A N PRO 93.A O no hydrogen 3.047 N/A LYS 98.A N LEU 94.A O no hydrogen 2.827 N/A LYS 98.A NZ PHE 264.A O no hydrogen 2.847 N/A LYS 98.A NZ ASP 267.A OD1 no hydrogen 2.536 N/A SER 99.A N PRO 95.A O no hydrogen 2.966 N/A TYR 100.A N LEU 96.A O no hydrogen 2.794 N/A LEU 101.A N ILE 97.A O no hydrogen 2.878 N/A PHE 102.A N LYS 98.A O no hydrogen 2.939 N/A GLN 103.A N SER 99.A O no hydrogen 2.932 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.522 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 2.972 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.937 N/A LEU 104.A N TYR 100.A O no hydrogen 2.913 N/A LEU 105.A N LEU 101.A O no hydrogen 2.939 N/A GLN 106.A N PHE 102.A O no hydrogen 2.958 N/A GLY 107.A N GLN 103.A O no hydrogen 2.967 N/A LEU 108.A N LEU 104.A O no hydrogen 2.842 N/A ALA 109.A N LEU 105.A O no hydrogen 2.749 N/A PHE 110.A N GLN 106.A O no hydrogen 3.026 N/A CYS 111.A N.A GLY 107.A O no hydrogen 2.953 N/A CYS 111.A N.B GLY 107.A O no hydrogen 2.998 N/A CYS 111.A SG.A GLY 107.A O no hydrogen 3.610 N/A CYS 111.A SG.B GLY 107.A O no hydrogen 3.576 N/A CYS 111.A SG.B LEU 108.A O no hydrogen 3.526 N/A CYS 111.A SG.B VAL 116.A O no hydrogen 3.491 N/A HIS 112.A N LEU 108.A O no hydrogen 2.708 N/A HIS 112.A NE2 ASP 164.A OD2 no hydrogen 2.872 N/A SER 113.A N ALA 109.A O no hydrogen 3.013 N/A SER 113.A OG ALA 109.A O no hydrogen 3.564 N/A SER 113.A OG PHE 110.A O no hydrogen 2.563 N/A SER 113.A OG HIS 114.A ND1 no hydrogen 3.061 N/A HIS 114.A N CYS 111.A O.A no hydrogen 2.845 N/A HIS 114.A N CYS 111.A O.B no hydrogen 2.748 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 3.027 N/A ARG 115.A N HIS 112.A O no hydrogen 2.853 N/A VAL 116.A N CYS 111.A O.A no hydrogen 3.029 N/A VAL 116.A N CYS 111.A O.B no hydrogen 3.004 N/A HIS 118.A N ASP 164.A OD2 no hydrogen 2.674 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.837 N/A ARG 119.A N ASP 164.A OD1 no hydrogen 2.759 N/A ARG 119.A NH1 TYR 159.A OH no hydrogen 3.538 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.055 N/A LYS 122.A N ASN 125.A OD1.B no hydrogen 3.037 N/A LYS 122.A NZ ASP 120.A OD1 no hydrogen 3.408 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.756 N/A ASN 125.A N.A LYS 122.A O no hydrogen 2.844 N/A ASN 125.A N.B LYS 122.A O no hydrogen 2.913 N/A ASN 125.A ND2.A ASP 120.A O no hydrogen 2.888 N/A ASN 125.A ND2.B ASP 120.A O no hydrogen 2.627 N/A LEU 126.A N PRO 123.A O no hydrogen 3.076 N/A LEU 127.A N LYS 135.A O no hydrogen 2.848 N/A ILE 128.A N GLN 78.A O no hydrogen 2.847 N/A ASN 129.A N ALA 133.A O no hydrogen 3.262 N/A THR 130.A OG1 GLU 131.A OE2 no hydrogen 3.122 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.922 N/A GLY 132.A N ASN 129.A O no hydrogen 3.493 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.105 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.106 N/A LYS 135.A N LEU 127.A O no hydrogen 2.779 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.753 N/A LEU 136.A N ASN 55.A O no hydrogen 2.885 N/A ALA 137.A N ASN 125.A O.A no hydrogen 2.805 N/A ALA 137.A N ASN 125.A O.B no hydrogen 2.679 N/A GLY 140.A N HIS 118.A O no hydrogen 3.013 N/A TRP 147.A NE1 GLY 184.A O no hydrogen 2.901 N/A TYR 148.A OH GLU 174.A OE1 no hydrogen 2.625 N/A ARG 149.A N LEU 146.A O no hydrogen 3.086 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.726 N/A ILE 153.A N ALA 150.A O no hydrogen 3.079 N/A LEU 154.A N ALA 150.A O no hydrogen 3.280 N/A LEU 155.A N PRO 151.A O no hydrogen 2.801 N/A GLY 156.A N ILE 153.A O no hydrogen 3.045 N/A ALA 162.A N SER 160.A OG no hydrogen 3.009 N/A VAL 163.A N SER 160.A O no hydrogen 2.979 N/A ASP 164.A N THR 161.A O no hydrogen 3.060 N/A TRP 166.A N ALA 162.A O no hydrogen 3.033 N/A SER 167.A N VAL 163.A O no hydrogen 3.129 N/A SER 167.A OG TYR 148.A O no hydrogen 2.708 N/A SER 167.A OG VAL 163.A O no hydrogen 3.136 N/A LEU 168.A N ASP 164.A O no hydrogen 2.913 N/A GLY 169.A N ILE 165.A O no hydrogen 2.857 N/A CYS 170.A N TRP 166.A O no hydrogen 3.040 N/A CYS 170.A SG TRP 166.A O no hydrogen 3.531 N/A ILE 171.A N SER 167.A O no hydrogen 3.037 N/A PHE 172.A N LEU 168.A O no hydrogen 2.854 N/A ALA 173.A N GLY 169.A O no hydrogen 2.955 N/A GLU 174.A N CYS 170.A O no hydrogen 3.031 N/A MET 175.A N ILE 171.A O no hydrogen 2.858 N/A VAL 176.A N PHE 172.A O no hydrogen 3.142 N/A THR 177.A N ALA 173.A O no hydrogen 2.911 N/A THR 177.A OG1 ALA 173.A O no hydrogen 3.066 N/A THR 177.A OG1 ARG 179.A O no hydrogen 3.093 N/A ARG 178.A N GLU 174.A O no hydrogen 2.867 N/A ARG 178.A NH1 ALA 88.A O no hydrogen 3.060 N/A ARG 179.A N THR 177.A OG1 no hydrogen 3.376 N/A GLY 184.A N PHE 182.A O no hydrogen 2.889 N/A GLY 184.A N GLN 190.A OE1 no hydrogen 2.803 N/A ASP 185.A N ASP 189.A OD2 no hydrogen 3.097 N/A ASP 189.A N SER 186.A OG no hydrogen 2.983 N/A GLN 190.A N SER 186.A O no hydrogen 2.796 N/A GLN 190.A NE2 TRP 147.A O no hydrogen 3.216 N/A GLN 190.A NE2 PHE 182.A O no hydrogen 2.830 N/A LEU 191.A N GLU 187.A O no hydrogen 3.108 N/A PHE 192.A N ILE 188.A O no hydrogen 2.896 N/A ARG 193.A N ASP 189.A O no hydrogen 2.891 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 2.932 N/A ILE 194.A N GLN 190.A O no hydrogen 3.091 N/A PHE 195.A N LEU 191.A O no hydrogen 2.886 N/A ARG 196.A N PHE 192.A O no hydrogen 2.822 N/A ARG 196.A NH2 ASP 189.A OD1 no hydrogen 3.360 N/A THR 197.A N ILE 194.A O no hydrogen 3.173 N/A THR 197.A OG1 ARG 193.A O no hydrogen 3.417 N/A LEU 198.A N ILE 194.A O no hydrogen 2.822 N/A GLY 199.A N PHE 195.A O no hydrogen 2.708 N/A THR 200.A N TRP 222.A O no hydrogen 2.956 N/A THR 200.A OG1 PRO 220.A O no hydrogen 2.585 N/A VAL 204.A N ASP 202.A OD1 no hydrogen 2.928 N/A VAL 205.A N ASP 202.A OD1 no hydrogen 3.165 N/A TRP 206.A N ASP 202.A O no hydrogen 2.914 N/A GLY 208.A N GLU 203.A OE1 no hydrogen 2.717 N/A VAL 209.A N TRP 206.A O no hydrogen 2.906 N/A THR 210.A N GLU 203.A OE2 no hydrogen 3.042 N/A THR 210.A OG1 GLU 203.A OE2 no hydrogen 2.638 N/A SER 211.A N.A GLY 208.A O no hydrogen 3.094 N/A SER 211.A N.B GLY 208.A O no hydrogen 3.078 N/A SER 211.A OG.A GLY 208.A O no hydrogen 2.632 N/A MET 212.A N.A VAL 209.A O no hydrogen 3.165 N/A MET 212.A N.B VAL 209.A O no hydrogen 3.050 N/A ASP 214.A N LEU 155.A O no hydrogen 2.894 N/A TYR 215.A N MET 212.A O.A no hydrogen 3.246 N/A TYR 215.A N MET 212.A O.B no hydrogen 2.974 N/A PHE 219.A N LYS 216.A O no hydrogen 3.017 N/A LYS 221.A NZ TYR 215.A OH no hydrogen 3.493 N/A LYS 221.A NZ PHE 219.A O no hydrogen 2.915 N/A TRP 222.A N THR 200.A OG1 no hydrogen 2.911 N/A ARG 224.A NH1 LEU 198.A O no hydrogen 2.915 N/A GLN 225.A N THR 197.A O no hydrogen 2.807 N/A GLN 225.A NE2 ARG 196.A O no hydrogen 3.228 N/A LYS 229.A N ASP 226.A O no hydrogen 2.910 N/A VAL 230.A N ASP 226.A O no hydrogen 3.284 N/A VAL 231.A N PHE 227.A O no hydrogen 2.912 N/A LEU 234.A N VAL 231.A O no hydrogen 2.868 N/A GLY 238.A N ASP 235.A OD1 no hydrogen 2.899 N/A ARG 239.A N ASP 235.A O no hydrogen 2.910 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 3.193 N/A ARG 239.A NH2 GLU 236.A OE1 no hydrogen 2.286 N/A SER 240.A N GLU 236.A O no hydrogen 2.881 N/A SER 240.A OG HIS 262.A NE2 no hydrogen 3.152 N/A LEU 241.A N ASP 237.A O no hydrogen 2.958 N/A LEU 242.A N GLY 238.A O no hydrogen 2.833 N/A SER 243.A N.A ARG 239.A O no hydrogen 2.776 N/A SER 243.A N.B ARG 239.A O no hydrogen 2.830 N/A SER 243.A OG.A SER 240.A O no hydrogen 2.551 N/A GLN 244.A N.A SER 240.A O no hydrogen 2.961 N/A GLN 244.A N.B SER 240.A O no hydrogen 3.123 N/A GLN 244.A NE2.A SER 240.A O no hydrogen 3.584 N/A GLN 244.A NE2.A SER 240.A OG no hydrogen 3.350 N/A MET 245.A N LEU 241.A O no hydrogen 2.969 N/A MET 245.A N LEU 242.A O no hydrogen 2.972 N/A LEU 246.A N LEU 242.A O no hydrogen 2.958 N/A LEU 246.A N SER 243.A O.B no hydrogen 2.938 N/A TYR 248.A OH GLY 199.A O no hydrogen 2.544 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 2.846 N/A LYS 252.A N ASP 249.A O no hydrogen 2.856 N/A ARG 253.A N ASP 249.A O no hydrogen 2.975 N/A ARG 253.A NE HIS 247.A O no hydrogen 2.835 N/A ARG 253.A NH1 GLU 152.A OE1 no hydrogen 3.416 N/A ARG 253.A NH1 GLU 152.A OE2 no hydrogen 2.851 N/A ARG 253.A NH1 ALA 162.A O no hydrogen 2.997 N/A ARG 253.A NH2 GLU 152.A OE1 no hydrogen 2.852 N/A ARG 253.A NH2 HIS 247.A O no hydrogen 3.195 N/A ARG 253.A NH2 TYR 248.A O no hydrogen 2.935 N/A ILE 254.A N GLN 244.A O.A no hydrogen 3.052 N/A ILE 254.A N GLN 244.A O.B no hydrogen 2.953 N/A ALA 258.A N SER 255.A OG no hydrogen 2.945 N/A ALA 259.A N SER 255.A O no hydrogen 2.800 N/A LEU 260.A N ALA 256.A O no hydrogen 3.026 N/A ALA 261.A N ALA 258.A O no hydrogen 3.048 N/A HIS 262.A N ALA 259.A O no hydrogen 2.957 N/A HIS 262.A NE2 SER 240.A OG no hydrogen 3.152 N/A PHE 264.A N HIS 262.A ND1 no hydrogen 2.996 N/A PHE 265.A N HIS 262.A O no hydrogen 3.024 N/A GLN 266.A N PRO 263.A O no hydrogen 3.098 N/A VAL 268.A N PHE 265.A O no hydrogen 3.072 N/A