Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a0f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 58.A OD2 no hydrogen 3.503 N/A LYS 2.A N LEU 56.A O no hydrogen 3.125 N/A LEU 3.A N THR 26.A O no hydrogen 2.842 N/A PHE 4.A N ALA 54.A O no hydrogen 3.015 N/A TYR 5.A N VAL 28.A O no hydrogen 3.040 N/A LYS 6.A N SER 11.A OG no hydrogen 3.368 N/A GLY 8.A N GLU 198.A OE1 no hydrogen 2.924 N/A ALA 9.A N LYS 6.A O no hydrogen 2.972 N/A CYS 10.A SG VAL 52.A O no hydrogen 3.399 N/A LEU 12.A N ALA 9.A O no hydrogen 3.324 N/A ALA 13.A N CYS 10.A O no hydrogen 3.188 N/A HIS 15.A N SER 11.A O no hydrogen 2.887 N/A HIS 15.A ND1 GLU 198.A OE2 no hydrogen 2.803 N/A ILE 16.A N LEU 12.A O no hydrogen 2.779 N/A THR 17.A N ALA 13.A O no hydrogen 3.077 N/A THR 17.A OG1 ALA 13.A O no hydrogen 2.862 N/A LEU 18.A N SER 14.A O no hydrogen 2.839 N/A ARG 19.A N HIS 15.A O no hydrogen 3.230 N/A ARG 19.A NE HIS 15.A NE2 no hydrogen 2.873 N/A ARG 19.A NH2 HIS 15.A NE2 no hydrogen 2.866 N/A GLU 20.A N ILE 16.A O no hydrogen 2.870 N/A SER 21.A N THR 17.A O no hydrogen 2.997 N/A SER 21.A OG THR 17.A O no hydrogen 3.040 N/A SER 21.A OG LEU 18.A O no hydrogen 3.431 N/A GLY 22.A N ARG 19.A O no hydrogen 3.225 N/A LYS 23.A N LEU 18.A O no hydrogen 3.198 N/A LYS 23.A NZ SER 76.A OG no hydrogen 2.957 N/A THR 26.A N MET 1.A O no hydrogen 2.998 N/A VAL 28.A N LEU 3.A O no hydrogen 2.929 N/A SER 29.A N GLU 38.A OE1 no hydrogen 2.958 N/A VAL 30.A N TYR 5.A O no hydrogen 2.967 N/A ASP 31.A N ARG 36.A O no hydrogen 2.879 N/A LYS 34.A N ASP 31.A OD1 no hydrogen 2.695 N/A LYS 35.A NZ LEU 32.A O no hydrogen 3.013 N/A ARG 36.A N ASP 31.A O no hydrogen 3.254 N/A ARG 36.A NH1 GLY 40.A O no hydrogen 3.458 N/A LEU 37.A N ASP 41.A O no hydrogen 2.810 N/A GLU 38.A N SER 29.A O no hydrogen 3.195 N/A ASN 39.A ND2 ASP 41.A OD2 no hydrogen 3.187 N/A GLY 40.A N LEU 37.A O no hydrogen 2.834 N/A ASP 41.A N ASN 39.A OD1 no hydrogen 2.973 N/A TYR 43.A N LYS 35.A O no hydrogen 2.741 N/A TYR 43.A OH GLN 51.A O no hydrogen 2.899 N/A PHE 44.A N ASP 42.A OD1 no hydrogen 3.022 N/A VAL 46.A N TYR 43.A O no hydrogen 2.825 N/A ASN 47.A N TYR 43.A O no hydrogen 2.867 N/A ASN 47.A ND2 GLN 51.A O no hydrogen 2.932 N/A LYS 49.A N ASN 47.A OD1 no hydrogen 2.948 N/A LYS 49.A NZ THR 64.A OG1 no hydrogen 3.058 N/A LYS 49.A NZ GLU 65.A OE2 no hydrogen 2.713 N/A GLY 50.A N ASN 47.A O no hydrogen 2.946 N/A LEU 55.A N LEU 63.A O no hydrogen 2.811 N/A LEU 56.A N LYS 2.A O no hydrogen 2.920 N/A LEU 57.A N THR 61.A O no hydrogen 2.646 N/A GLY 60.A N LEU 57.A O no hydrogen 2.865 N/A THR 61.A N ASP 59.A OD1 no hydrogen 2.930 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.854 N/A THR 61.A OG1 ASP 59.A OD2 no hydrogen 3.165 N/A LEU 63.A N LEU 55.A O no hydrogen 2.915 N/A ILE 69.A N GLU 65.A O no hydrogen 3.006 N/A MET 70.A N GLY 66.A O no hydrogen 2.881 N/A GLN 71.A N VAL 67.A O no hydrogen 3.267 N/A GLN 71.A NE2 VAL 67.A O no hydrogen 3.663 N/A TYR 72.A N ALA 68.A O no hydrogen 3.012 N/A LEU 73.A N ILE 69.A O no hydrogen 3.090 N/A ALA 74.A N MET 70.A O no hydrogen 3.028 N/A ASP 75.A N GLN 71.A O no hydrogen 3.071 N/A SER 76.A N TYR 72.A O no hydrogen 3.262 N/A SER 76.A OG LEU 73.A O no hydrogen 2.708 N/A VAL 77.A N ALA 74.A O no hydrogen 3.177 N/A ARG 80.A N VAL 77.A O no hydrogen 2.947 N/A GLN 81.A N PRO 78.A O no hydrogen 3.236 N/A ASN 87.A N TYR 92.A OH no hydrogen 2.766 N/A SER 88.A N PRO 85.A O no hydrogen 3.077 N/A SER 88.A OG PRO 85.A O no hydrogen 2.842 N/A ARG 91.A N SER 88.A O no hydrogen 2.988 N/A ARG 91.A N SER 88.A OG no hydrogen 3.262 N/A ARG 91.A NH1 ASP 75.A OD1 no hydrogen 3.096 N/A ARG 91.A NH1 ALA 84.A O no hydrogen 2.633 N/A ARG 91.A NH2 ASP 75.A OD1 no hydrogen 3.287 N/A ARG 91.A NH2 ASP 75.A OD2 no hydrogen 3.044 N/A LYS 93.A N ILE 89.A O no hydrogen 3.098 N/A LYS 93.A NZ GLU 96.A OE1 no hydrogen 2.812 N/A THR 94.A N SER 90.A O no hydrogen 3.210 N/A THR 94.A OG1 SER 90.A O no hydrogen 3.078 N/A ILE 95.A N ARG 91.A O no hydrogen 3.120 N/A GLU 96.A N TYR 92.A O no hydrogen 2.844 N/A TRP 97.A N LYS 93.A O no hydrogen 3.009 N/A LEU 98.A N THR 94.A O no hydrogen 2.884 N/A ASN 99.A N ILE 95.A O no hydrogen 2.984 N/A TYR 100.A N GLU 96.A O no hydrogen 3.024 N/A ILE 101.A N TRP 97.A O no hydrogen 2.812 N/A ALA 102.A N LEU 98.A O no hydrogen 2.937 N/A THR 103.A N ASN 99.A O no hydrogen 2.833 N/A THR 103.A OG1 ASN 99.A O no hydrogen 2.725 N/A GLU 104.A N TYR 100.A O no hydrogen 2.847 N/A LEU 105.A N ILE 101.A O no hydrogen 3.244 N/A HIS 106.A N ILE 101.A O no hydrogen 2.812 N/A HIS 106.A ND1 TYR 157.A OH no hydrogen 2.687 N/A LYS 107.A N ALA 102.A O no hydrogen 3.198 N/A PHE 109.A N LEU 105.A O no hydrogen 2.908 N/A PHE 109.A N HIS 106.A O no hydrogen 3.003 N/A THR 110.A N HIS 106.A O no hydrogen 3.266 N/A THR 110.A OG1 HIS 106.A O no hydrogen 3.291 N/A LEU 112.A N PHE 109.A O no hydrogen 2.927 N/A PHE 113.A N THR 110.A O no hydrogen 2.980 N/A ARG 114.A N PRO 111.A O no hydrogen 3.321 N/A ARG 114.A NH1 ASP 116.A OD1 no hydrogen 3.421 N/A THR 117.A OG1 PRO 111.A O no hydrogen 2.712 N/A TYR 121.A N PRO 118.A O no hydrogen 3.006 N/A LYS 122.A NZ GLU 119.A OE2 no hydrogen 2.930 N/A THR 124.A N TYR 121.A O no hydrogen 3.055 N/A VAL 125.A N TYR 121.A O no hydrogen 3.339 N/A ARG 126.A N LYS 122.A O no hydrogen 3.134 N/A ALA 127.A N PRO 123.A O no hydrogen 3.098 N/A GLN 128.A N THR 124.A O no hydrogen 2.894 N/A GLN 128.A NE2 THR 124.A O no hydrogen 3.595 N/A LEU 129.A N VAL 125.A O no hydrogen 2.896 N/A GLU 130.A N ARG 126.A O no hydrogen 2.903 N/A LYS 131.A N ALA 127.A O no hydrogen 3.261 N/A LYS 132.A N GLN 128.A O no hydrogen 3.238 N/A LYS 132.A NZ GLU 104.A O no hydrogen 3.085 N/A LYS 132.A NZ GLU 104.A OE1 no hydrogen 3.550 N/A LEU 133.A N LEU 129.A O no hydrogen 2.990 N/A GLN 134.A N GLU 130.A O no hydrogen 3.182 N/A VAL 136.A N LYS 132.A O no hydrogen 2.951 N/A ASN 137.A N LEU 133.A O no hydrogen 2.825 N/A GLU 138.A N GLN 134.A O no hydrogen 3.142 N/A ALA 139.A N TYR 135.A O no hydrogen 2.982 N/A LEU 140.A N VAL 136.A O no hydrogen 3.179 N/A LEU 140.A N ASN 137.A O no hydrogen 3.325 N/A LYS 141.A N GLU 138.A O no hydrogen 3.188 N/A GLU 143.A N LEU 140.A O no hydrogen 3.116 N/A TRP 145.A N GLY 148.A O no hydrogen 2.844 N/A ILE 146.A N ASP 155.A OD1 no hydrogen 2.748 N/A CYS 147.A SG THR 94.A OG1 no hydrogen 3.442 N/A GLY 148.A N TRP 145.A O no hydrogen 2.873 N/A GLN 149.A NE2 HIS 144.A NE2 no hydrogen 3.488 N/A THR 152.A N ASP 155.A OD2 no hydrogen 2.869 N/A THR 152.A OG1 ASP 155.A OD2 no hydrogen 3.507 N/A ILE 153.A N LEU 82.A O no hydrogen 3.190 N/A ALA 154.A N THR 152.A OG1 no hydrogen 3.382 N/A ASP 155.A N THR 152.A O no hydrogen 3.207 N/A TYR 157.A N ILE 153.A O no hydrogen 3.320 N/A TYR 157.A OH HIS 106.A ND1 no hydrogen 2.687 N/A LEU 158.A N ALA 154.A O no hydrogen 2.791 N/A PHE 159.A N ASP 155.A O no hydrogen 2.944 N/A THR 160.A N ALA 156.A O no hydrogen 3.261 N/A THR 160.A OG1 ALA 156.A O no hydrogen 2.762 N/A VAL 161.A N TYR 157.A O no hydrogen 3.268 N/A LEU 162.A N LEU 158.A O no hydrogen 2.976 N/A ARG 163.A N PHE 159.A O no hydrogen 3.091 N/A ARG 163.A NH2 LYS 201.A O no hydrogen 3.355 N/A TRP 164.A N VAL 161.A O no hydrogen 3.029 N/A TRP 164.A NE1 GLY 8.A O no hydrogen 3.119 N/A ALA 165.A N LEU 162.A O no hydrogen 3.065 N/A TYR 166.A N LEU 162.A O no hydrogen 3.376 N/A ALA 167.A N ARG 163.A O no hydrogen 3.065 N/A VAL 168.A N TRP 164.A O no hydrogen 2.876 N/A LYS 169.A N TYR 166.A O no hydrogen 2.938 N/A LYS 169.A NZ TYR 166.A O no hydrogen 3.169 N/A LYS 169.A NZ ALA 167.A O no hydrogen 2.997 N/A LEU 170.A N ALA 165.A O no hydrogen 2.913 N/A ASN 171.A N GLU 130.A OE2 no hydrogen 2.987 N/A GLU 173.A N ASN 171.A OD1 no hydrogen 3.378 N/A HIS 177.A N ASN 137.A OD1 no hydrogen 3.035 N/A ILE 178.A N ASN 137.A OD1 no hydrogen 3.206 N/A ALA 179.A N LEU 175.A O no hydrogen 3.396 N/A ALA 180.A N GLU 176.A O no hydrogen 3.088 N/A PHE 181.A N HIS 177.A O no hydrogen 3.078 N/A MET 182.A N ILE 178.A O no hydrogen 3.050 N/A GLN 183.A N ALA 179.A O no hydrogen 3.238 N/A GLN 183.A NE2 GLU 187.A OE2 no hydrogen 2.621 N/A ARG 184.A N ALA 180.A O no hydrogen 2.910 N/A ARG 184.A NH1 GLU 187.A OE1 no hydrogen 3.276 N/A MET 185.A N PHE 181.A O no hydrogen 2.838 N/A ALA 186.A N MET 182.A O no hydrogen 2.970 N/A GLU 187.A N GLN 183.A O no hydrogen 3.238 N/A ARG 188.A N MET 185.A O no hydrogen 3.262 N/A ARG 188.A NE GLU 20.A OE2 no hydrogen 3.024 N/A ARG 188.A NH2 GLU 20.A OE1 no hydrogen 3.235 N/A ARG 188.A NH2 GLU 20.A OE2 no hydrogen 3.416 N/A VAL 191.A N ARG 188.A O no hydrogen 3.041 N/A GLN 192.A N ARG 188.A O no hydrogen 3.050 N/A GLN 192.A NE2 ALA 186.A O no hydrogen 2.563 N/A ASP 193.A N PRO 189.A O no hydrogen 2.948 N/A ALA 194.A N GLU 190.A O no hydrogen 3.156 N/A LEU 195.A N VAL 191.A O no hydrogen 2.968 N/A SER 196.A N GLN 192.A O no hydrogen 3.048 N/A ALA 197.A N ASP 193.A O no hydrogen 2.820 N/A GLU 198.A N ALA 194.A O no hydrogen 3.039 N/A GLY 199.A N SER 196.A O no hydrogen 2.921 N/A LEU 200.A N LEU 195.A O no hydrogen 2.704 N/A LYS 201.A NZ GLY 199.A O no hydrogen 3.492 N/A