Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r8m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 3.374 N/A GLU 8.A N LYS 20.A O no hydrogen 3.257 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 2.642 N/A ILE 10.A N VAL 18.A O no hydrogen 2.980 N/A GLY 13.A N GLY 16.A O no hydrogen 2.592 N/A THR 14.A OG1 ASP 123.A OD2 no hydrogen 2.685 N/A TYR 15.A OH ALA 147.A O no hydrogen 3.170 N/A GLY 16.A N GLY 13.A O no hydrogen 2.952 N/A VAL 18.A N GLY 11.A O no hydrogen 2.787 N/A TYR 19.A N LEU 32.A O no hydrogen 2.584 N/A LYS 20.A N GLU 8.A O no hydrogen 2.715 N/A ALA 21.A N VAL 30.A O no hydrogen 2.849 N/A ASN 23.A N GLU 28.A O no hydrogen 2.687 N/A LYS 24.A N ASN 3.A O no hydrogen 2.780 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.288 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.728 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.921 N/A GLY 27.A N ASN 23.A O no hydrogen 2.836 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.275 N/A VAL 30.A N ALA 21.A O no hydrogen 2.745 N/A ALA 31.A N PHE 76.A O no hydrogen 2.939 N/A LEU 32.A N TYR 19.A O no hydrogen 2.680 N/A LYS 33.A N LEU 74.A O no hydrogen 2.945 N/A LYS 33.A NZ GLY 16.A O no hydrogen 3.139 N/A LYS 33.A NZ ASP 141.A OD2 no hydrogen 3.154 N/A LYS 34.A N VAL 17.A O no hydrogen 2.913 N/A ILE 35.A N LEU 72.A O no hydrogen 2.751 N/A THR 43.A OG1 SER 42.A O no hydrogen 2.617 N/A ILE 48.A N ALA 44.A O no hydrogen 3.453 N/A SER 49.A N ILE 45.A O no hydrogen 2.734 N/A SER 49.A OG ILE 45.A O no hydrogen 2.535 N/A LEU 50.A N ARG 46.A O no hydrogen 3.052 N/A LEU 51.A N ILE 48.A O no hydrogen 2.781 N/A LYS 52.A N SER 49.A O no hydrogen 2.988 N/A GLU 53.A N LEU 50.A O no hydrogen 3.031 N/A LEU 54.A N LEU 51.A O no hydrogen 2.880 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.079 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 2.956 N/A ILE 59.A N HIS 56.A O no hydrogen 3.050 N/A VAL 60.A N LEU 139.A O no hydrogen 2.818 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 2.676 N/A LEU 63.A N VAL 75.A O no hydrogen 2.662 N/A ASP 64.A N VAL 75.A O no hydrogen 3.238 N/A ILE 66.A N TYR 73.A O no hydrogen 2.734 N/A THR 68.A N LYS 71.A O no hydrogen 2.706 N/A THR 68.A OG1 GLU 69.A OE2 no hydrogen 2.915 N/A TYR 73.A N ILE 66.A O no hydrogen 2.656 N/A LEU 74.A N LYS 33.A O no hydrogen 2.951 N/A VAL 75.A N ASP 64.A O no hydrogen 2.885 N/A PHE 76.A N ALA 31.A O no hydrogen 2.838 N/A GLU 77.A N LYS 61.A O no hydrogen 3.005 N/A LEU 83.A N LEU 129.A O no hydrogen 2.852 N/A LYS 84.A NZ ASP 88.A OD1 no hydrogen 2.654 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.598 N/A PHE 86.A N ASP 82.A O no hydrogen 3.098 N/A MET 87.A N LEU 83.A O no hydrogen 2.809 N/A ASP 88.A N LYS 84.A O no hydrogen 3.036 N/A ALA 89.A N LYS 85.A O no hydrogen 2.841 N/A SER 90.A N PHE 86.A O no hydrogen 2.867 N/A SER 90.A N MET 87.A O no hydrogen 3.000 N/A SER 90.A OG PHE 86.A O no hydrogen 2.752 N/A ALA 91.A N ASP 88.A O no hydrogen 3.206 N/A THR 93.A OG1 GLY 94.A O no hydrogen 3.324 N/A GLY 94.A N SER 90.A O no hydrogen 2.528 N/A LEU 99.A N PRO 96.A O no hydrogen 2.879 N/A ILE 100.A N PRO 96.A O no hydrogen 2.970 N/A LYS 101.A N LEU 97.A O no hydrogen 2.788 N/A LYS 101.A NZ PHE 273.A O no hydrogen 3.005 N/A LYS 101.A NZ ASP 276.A OD1 no hydrogen 2.653 N/A SER 102.A N PRO 98.A O no hydrogen 2.961 N/A TYR 103.A N LEU 99.A O no hydrogen 2.857 N/A LEU 104.A N ILE 100.A O no hydrogen 2.835 N/A PHE 105.A N LYS 101.A O no hydrogen 2.919 N/A GLN 106.A N SER 102.A O no hydrogen 2.937 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.545 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 2.949 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 2.888 N/A LEU 107.A N TYR 103.A O no hydrogen 2.913 N/A LEU 108.A N LEU 104.A O no hydrogen 2.944 N/A GLN 109.A N PHE 105.A O no hydrogen 2.942 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.625 N/A GLY 110.A N GLN 106.A O no hydrogen 2.946 N/A LEU 111.A N LEU 107.A O no hydrogen 2.867 N/A ALA 112.A N LEU 108.A O no hydrogen 2.710 N/A PHE 113.A N GLN 109.A O no hydrogen 3.011 N/A CYS 114.A N GLY 110.A O no hydrogen 2.989 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.623 N/A HIS 115.A N LEU 111.A O no hydrogen 2.813 N/A HIS 115.A NE2 ASP 173.A OD2 no hydrogen 2.963 N/A SER 116.A N ALA 112.A O no hydrogen 2.975 N/A SER 116.A OG ALA 112.A O no hydrogen 3.393 N/A SER 116.A OG PHE 113.A O no hydrogen 2.785 N/A SER 116.A OG HIS 117.A ND1 no hydrogen 3.058 N/A HIS 117.A N PHE 113.A O no hydrogen 3.228 N/A HIS 117.A N CYS 114.A O no hydrogen 2.967 N/A HIS 117.A ND1 PHE 113.A O no hydrogen 2.885 N/A HIS 117.A ND1 SER 116.A OG no hydrogen 3.058 N/A ARG 118.A N HIS 115.A O no hydrogen 2.966 N/A VAL 119.A N CYS 114.A O no hydrogen 2.806 N/A HIS 121.A N ASP 173.A OD2 no hydrogen 2.751 N/A ARG 122.A N ASP 173.A OD1 no hydrogen 2.788 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.673 N/A LYS 125.A NZ ASP 123.A OD2 no hydrogen 3.276 N/A GLN 127.A N GLN 127.A OE1 no hydrogen 2.694 N/A ASN 128.A N LYS 125.A O no hydrogen 2.856 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.733 N/A LEU 129.A N PRO 126.A O no hydrogen 3.249 N/A LEU 130.A N LYS 138.A O no hydrogen 2.836 N/A ILE 131.A N GLN 81.A O no hydrogen 2.822 N/A ASN 132.A N ALA 136.A O no hydrogen 3.295 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.983 N/A GLY 135.A N ASN 132.A O no hydrogen 3.411 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 3.123 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.168 N/A LYS 138.A N LEU 130.A O no hydrogen 2.809 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.269 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 3.327 N/A LEU 139.A N ASN 58.A O no hydrogen 2.877 N/A ALA 140.A N ASN 128.A O no hydrogen 2.958 N/A GLY 143.A N LEU 120.A O no hydrogen 2.867 N/A ARG 146.A NH1 ALA 145.A O no hydrogen 2.371 N/A TRP 155.A NE1 GLY 193.A O no hydrogen 2.926 N/A TYR 156.A OH GLU 183.A OE1 no hydrogen 2.591 N/A TYR 156.A OH GLU 183.A OE2 no hydrogen 3.414 N/A ARG 157.A N LEU 154.A O no hydrogen 3.132 N/A ARG 157.A NH2 ASP 123.A OD1 no hydrogen 3.413 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.683 N/A ILE 161.A N ALA 158.A O no hydrogen 3.054 N/A LEU 162.A N ALA 158.A O no hydrogen 3.280 N/A LEU 163.A N PRO 159.A O no hydrogen 2.848 N/A GLY 164.A N ILE 161.A O no hydrogen 2.986 N/A CYS 165.A N GLU 160.A O no hydrogen 2.943 N/A CYS 165.A SG.B GLU 160.A O no hydrogen 2.978 N/A CYS 165.A SG.B TYR 167.A O no hydrogen 3.954 N/A ALA 171.A N SER 169.A OG no hydrogen 3.106 N/A VAL 172.A N SER 169.A O no hydrogen 2.996 N/A ASP 173.A N THR 170.A O no hydrogen 3.016 N/A TRP 175.A N ALA 171.A O no hydrogen 3.075 N/A SER 176.A N VAL 172.A O no hydrogen 3.238 N/A SER 176.A OG TYR 156.A O no hydrogen 2.648 N/A SER 176.A OG VAL 172.A O no hydrogen 3.193 N/A LEU 177.A N ASP 173.A O no hydrogen 2.982 N/A GLY 178.A N ILE 174.A O no hydrogen 2.849 N/A CYS 179.A N TRP 175.A O no hydrogen 2.989 N/A CYS 179.A SG TRP 155.A O no hydrogen 4.045 N/A CYS 179.A SG TRP 175.A O no hydrogen 3.518 N/A ILE 180.A N SER 176.A O no hydrogen 3.008 N/A PHE 181.A N LEU 177.A O no hydrogen 2.890 N/A ALA 182.A N GLY 178.A O no hydrogen 2.993 N/A GLU 183.A N CYS 179.A O no hydrogen 3.096 N/A MET 184.A N ILE 180.A O no hydrogen 2.900 N/A VAL 185.A N PHE 181.A O no hydrogen 3.101 N/A THR 186.A N ALA 182.A O no hydrogen 2.945 N/A THR 186.A OG1 ALA 182.A O no hydrogen 3.087 N/A ARG 187.A N GLU 183.A O no hydrogen 2.823 N/A ARG 187.A NE ALA 91.A O no hydrogen 3.526 N/A ARG 187.A NH2 ALA 91.A O no hydrogen 3.269 N/A ARG 188.A N THR 186.A OG1 no hydrogen 3.330 N/A GLY 193.A N PHE 191.A O no hydrogen 2.983 N/A GLY 193.A N GLN 199.A OE1 no hydrogen 2.866 N/A ASP 194.A N ASP 198.A OD2 no hydrogen 3.075 N/A ASP 198.A N SER 195.A OG no hydrogen 3.066 N/A GLN 199.A N SER 195.A O no hydrogen 2.907 N/A GLN 199.A NE2 PHE 191.A O no hydrogen 2.870 N/A LEU 200.A N GLU 196.A O no hydrogen 2.966 N/A PHE 201.A N ILE 197.A O no hydrogen 2.853 N/A ARG 202.A N ASP 198.A O no hydrogen 2.848 N/A ARG 202.A NE ASP 198.A OD2 no hydrogen 2.979 N/A ILE 203.A N GLN 199.A O no hydrogen 3.129 N/A PHE 204.A N LEU 200.A O no hydrogen 2.886 N/A ARG 205.A N PHE 201.A O no hydrogen 2.785 N/A THR 206.A N ARG 202.A O no hydrogen 3.302 N/A THR 206.A N ILE 203.A O no hydrogen 3.071 N/A THR 206.A OG1 ARG 202.A O no hydrogen 3.482 N/A LEU 207.A N ILE 203.A O no hydrogen 2.846 N/A GLY 208.A N PHE 204.A O no hydrogen 2.703 N/A THR 209.A N TRP 231.A O no hydrogen 2.922 N/A THR 209.A OG1 PRO 229.A O no hydrogen 2.737 N/A VAL 214.A N ASP 211.A OD1 no hydrogen 3.115 N/A TRP 215.A N ASP 211.A O no hydrogen 2.912 N/A GLY 217.A N GLU 212.A OE1 no hydrogen 2.768 N/A VAL 218.A N TRP 215.A O no hydrogen 2.948 N/A THR 219.A N GLU 212.A OE2 no hydrogen 3.058 N/A THR 219.A OG1 GLU 212.A OE2 no hydrogen 2.639 N/A SER 220.A N GLY 217.A O no hydrogen 3.143 N/A SER 220.A OG.A GLY 217.A O no hydrogen 3.079 N/A MET 221.A N VAL 218.A O no hydrogen 3.127 N/A ASP 223.A N LEU 163.A O no hydrogen 2.927 N/A TYR 224.A N MET 221.A O no hydrogen 2.993 N/A PHE 228.A N LYS 225.A O no hydrogen 2.922 N/A LYS 230.A NZ PRO 226.A O no hydrogen 3.417 N/A LYS 230.A NZ PHE 228.A O no hydrogen 3.452 N/A TRP 231.A N THR 209.A OG1 no hydrogen 2.819 N/A ARG 233.A NH1 LEU 207.A O no hydrogen 3.097 N/A GLN 234.A N THR 206.A O no hydrogen 2.862 N/A SER 237.A N ASP 235.A OD1 no hydrogen 3.344 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.641 N/A VAL 239.A N PHE 236.A O no hydrogen 3.080 N/A LEU 243.A N VAL 240.A O no hydrogen 2.830 N/A GLY 247.A N ASP 244.A OD1 no hydrogen 2.861 N/A ARG 248.A N ASP 244.A O no hydrogen 2.912 N/A ARG 248.A NE LEU 243.A O no hydrogen 3.045 N/A SER 249.A N GLU 245.A O no hydrogen 2.894 N/A SER 249.A OG HIS 271.A NE2 no hydrogen 3.167 N/A LEU 250.A N ASP 246.A O no hydrogen 3.028 N/A LEU 251.A N GLY 247.A O no hydrogen 2.897 N/A SER 252.A N ARG 248.A O no hydrogen 2.860 N/A SER 252.A OG ARG 248.A O no hydrogen 3.498 N/A SER 252.A OG SER 249.A O no hydrogen 2.718 N/A GLN 253.A N SER 249.A O no hydrogen 3.097 N/A MET 254.A N LEU 250.A O no hydrogen 3.035 N/A LEU 255.A N LEU 251.A O no hydrogen 2.981 N/A LEU 255.A N SER 252.A O no hydrogen 3.259 N/A TYR 257.A OH GLY 208.A O no hydrogen 2.527 N/A ASN 260.A N ASP 258.A OD1 no hydrogen 2.885 N/A LYS 261.A N ASP 258.A O no hydrogen 2.709 N/A LYS 261.A NZ VAL 214.A O no hydrogen 3.069 N/A LYS 261.A NZ ASP 258.A OD2 no hydrogen 3.108 N/A ARG 262.A N ASP 258.A O no hydrogen 3.027 N/A ARG 262.A NE HIS 256.A O no hydrogen 2.816 N/A ARG 262.A NH1 GLU 160.A OE1 no hydrogen 3.411 N/A ARG 262.A NH1 GLU 160.A OE2 no hydrogen 2.798 N/A ARG 262.A NH1 ALA 171.A O no hydrogen 2.971 N/A ARG 262.A NH2 GLU 160.A OE1 no hydrogen 2.900 N/A ARG 262.A NH2 HIS 256.A O no hydrogen 3.135 N/A ARG 262.A NH2 TYR 257.A O no hydrogen 2.858 N/A ILE 263.A N GLN 253.A O no hydrogen 2.981 N/A ALA 267.A N SER 264.A OG no hydrogen 2.992 N/A ALA 268.A N SER 264.A O no hydrogen 2.858 N/A LEU 269.A N ALA 265.A O no hydrogen 3.059 N/A ALA 270.A N ALA 267.A O no hydrogen 3.104 N/A HIS 271.A N ALA 268.A O no hydrogen 2.987 N/A HIS 271.A NE2 SER 249.A OG no hydrogen 3.167 N/A PHE 273.A N HIS 271.A ND1 no hydrogen 2.936 N/A PHE 274.A N HIS 271.A O no hydrogen 3.016 N/A GLN 275.A N PRO 272.A O no hydrogen 3.141 N/A GLN 275.A NE2 GLN 275.A O no hydrogen 3.283 N/A VAL 277.A N PHE 274.A O no hydrogen 3.226 N/A