Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kg8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N THR 1.A OG1 no hydrogen 3.387 N/A ARG 3.A NH1 MET 56.A O no hydrogen 3.033 N/A ARG 3.A NH1 TYR 75.A OH no hydrogen 2.636 N/A ARG 3.A NH2 MET 56.A O no hydrogen 3.523 N/A ARG 3.A NH2 LEU 57.A O no hydrogen 3.160 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.553 N/A TRP 6.A N ARG 3.A O no hydrogen 2.927 N/A TRP 8.A N GLU 5.A O no hydrogen 2.909 N/A TRP 8.A NE1 ASN 187.A OD1 no hydrogen 2.719 N/A LEU 9.A N GLU 5.A O no hydrogen 3.227 N/A ALA 10.A N TRP 6.A O no hydrogen 2.846 N/A LEU 11.A N ILE 7.A O no hydrogen 2.796 N/A GLY 12.A N TRP 8.A O no hydrogen 2.847 N/A THR 13.A N LEU 9.A O no hydrogen 2.889 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.685 N/A ALA 14.A N ALA 10.A O no hydrogen 3.026 N/A LEU 15.A N LEU 11.A O no hydrogen 2.914 N/A MET 16.A N GLY 12.A O no hydrogen 2.764 N/A GLY 17.A N THR 13.A O no hydrogen 2.873 N/A LEU 18.A N ALA 14.A O no hydrogen 2.931 N/A GLY 19.A N LEU 15.A O no hydrogen 2.911 N/A THR 20.A N MET 16.A O no hydrogen 2.789 N/A THR 20.A OG1 MET 16.A O no hydrogen 2.602 N/A LEU 21.A N GLY 17.A O no hydrogen 2.902 N/A TYR 22.A N LEU 18.A O no hydrogen 2.914 N/A PHE 23.A N GLY 19.A O no hydrogen 3.137 N/A LEU 24.A N THR 20.A O no hydrogen 2.905 N/A VAL 25.A N LEU 21.A O no hydrogen 2.888 N/A LYS 26.A N TYR 22.A O no hydrogen 2.872 N/A LYS 26.A NZ TYR 39.A OH no hydrogen 3.234 N/A GLY 27.A N PHE 23.A O no hydrogen 2.610 N/A MET 28.A N LEU 24.A O no hydrogen 3.284 N/A MET 28.A N VAL 25.A O no hydrogen 3.025 N/A VAL 30.A N GLY 27.A O no hydrogen 3.148 N/A ALA 35.A N ASP 32.A OD2 no hydrogen 2.492 N/A LYS 36.A N ASP 32.A O no hydrogen 2.729 N/A LYS 37.A N PRO 33.A O no hydrogen 3.009 N/A LYS 37.A NZ ASP 34.A OD1 no hydrogen 3.101 N/A PHE 38.A N ASP 34.A O no hydrogen 3.160 N/A TYR 39.A N ALA 35.A O no hydrogen 2.869 N/A ALA 40.A N LYS 36.A O no hydrogen 2.930 N/A ILE 41.A N LYS 37.A O no hydrogen 3.139 N/A THR 42.A N PHE 38.A O no hydrogen 3.031 N/A THR 42.A OG1 PHE 38.A O no hydrogen 2.295 N/A THR 43.A N TYR 39.A O no hydrogen 2.896 N/A THR 43.A OG1 TYR 39.A O no hydrogen 2.707 N/A LEU 44.A N ALA 40.A O no hydrogen 2.980 N/A VAL 45.A N ILE 41.A O no hydrogen 3.326 N/A ALA 47.A N THR 43.A O no hydrogen 3.402 N/A ILE 48.A N LEU 44.A O no hydrogen 2.847 N/A ALA 49.A N VAL 45.A O no hydrogen 2.941 N/A PHE 50.A N PRO 46.A O no hydrogen 2.605 N/A THR 51.A N ALA 47.A O no hydrogen 3.176 N/A THR 51.A OG1 ILE 48.A O no hydrogen 2.892 N/A MET 52.A N ILE 48.A O no hydrogen 3.035 N/A TYR 53.A N ALA 49.A O no hydrogen 2.845 N/A TYR 53.A OH ASP 197.A OD2 no hydrogen 2.590 N/A LEU 54.A N PHE 50.A O no hydrogen 3.010 N/A SER 55.A N THR 51.A O no hydrogen 3.058 N/A SER 55.A OG MET 52.A O no hydrogen 3.067 N/A MET 56.A N MET 52.A O no hydrogen 3.119 N/A LEU 57.A N TYR 53.A O no hydrogen 2.659 N/A LEU 58.A N LEU 54.A O no hydrogen 2.848 N/A GLY 59.A N MET 56.A O no hydrogen 2.930 N/A TYR 60.A N SER 55.A O no hydrogen 2.583 N/A GLY 61.A N SER 55.A O no hydrogen 2.973 N/A THR 63.A N ILE 74.A O no hydrogen 2.790 N/A VAL 65.A N ASN 72.A O no hydrogen 2.537 N/A PHE 67.A N GLU 70.A O no hydrogen 2.737 N/A GLU 70.A N PHE 67.A O no hydrogen 2.899 N/A ASN 72.A N VAL 65.A O no hydrogen 2.681 N/A ASN 72.A ND2 VAL 65.A O no hydrogen 2.485 N/A ASN 72.A ND2 PHE 67.A O no hydrogen 3.153 N/A ILE 74.A N THR 63.A O no hydrogen 2.521 N/A TYR 75.A OH GLU 5.A OE2 no hydrogen 2.835 N/A ALA 77.A N GLY 61.A O no hydrogen 3.140 N/A ARG 78.A N TYR 75.A O no hydrogen 3.039 N/A ARG 78.A NH1 GLU 189.A OE2 no hydrogen 2.733 N/A ARG 78.A NH2 GLU 189.A OE2 no hydrogen 3.360 N/A TYR 79.A OH GLU 179.A OE2 no hydrogen 2.353 N/A ALA 80.A N TRP 76.A O no hydrogen 3.200 N/A ASP 81.A N ALA 77.A O no hydrogen 3.011 N/A TRP 82.A N ARG 78.A O no hydrogen 2.996 N/A TRP 82.A NE1 ASP 197.A OD1 no hydrogen 3.234 N/A LEU 83.A N TYR 79.A O no hydrogen 2.770 N/A PHE 84.A N ASP 81.A O no hydrogen 3.075 N/A THR 85.A N ASP 81.A O no hydrogen 3.068 N/A THR 85.A OG1 ASP 81.A O no hydrogen 3.119 N/A THR 86.A N TRP 82.A O no hydrogen 3.039 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.378 N/A THR 86.A OG1 ASP 111.A OD1 no hydrogen 2.696 N/A LEU 89.A N THR 85.A O no hydrogen 2.885 N/A LEU 90.A N THR 86.A O no hydrogen 3.062 N/A LEU 91.A N PRO 87.A O no hydrogen 2.946 N/A ASP 92.A N LEU 88.A O no hydrogen 3.095 N/A ASP 92.A N LEU 89.A O no hydrogen 3.087 N/A ALA 94.A N LEU 90.A O no hydrogen 2.911 N/A LEU 95.A N LEU 91.A O no hydrogen 2.885 N/A LEU 96.A N ASP 92.A O no hydrogen 2.995 N/A VAL 97.A N LEU 93.A O no hydrogen 3.082 N/A ASP 98.A N LEU 95.A O no hydrogen 3.374 N/A ALA 99.A N ALA 94.A O no hydrogen 2.889 N/A THR 103.A OG1 ASP 100.A OD2 no hydrogen 2.749 N/A ILE 104.A N ASP 100.A O no hydrogen 3.149 N/A LEU 105.A N GLN 101.A O no hydrogen 2.965 N/A ALA 106.A N GLY 102.A O no hydrogen 3.099 N/A LEU 107.A N THR 103.A O no hydrogen 2.860 N/A VAL 108.A N ILE 104.A O no hydrogen 2.753 N/A GLY 109.A N LEU 105.A O no hydrogen 2.620 N/A ALA 110.A N ALA 106.A O no hydrogen 2.632 N/A ASP 111.A N LEU 107.A O no hydrogen 2.897 N/A GLY 112.A N VAL 108.A O no hydrogen 3.006 N/A ILE 113.A N GLY 109.A O no hydrogen 3.257 N/A MET 114.A N ALA 110.A O no hydrogen 2.916 N/A ILE 115.A N ASP 111.A O no hydrogen 3.105 N/A GLY 116.A N GLY 112.A O no hydrogen 2.946 N/A THR 117.A N ILE 113.A O no hydrogen 2.757 N/A THR 117.A OG1 ILE 113.A O no hydrogen 2.505 N/A THR 117.A OG1 MET 114.A O no hydrogen 3.141 N/A GLY 118.A N MET 114.A O no hydrogen 3.074 N/A LEU 119.A N ILE 115.A O no hydrogen 2.613 N/A VAL 120.A N GLY 116.A O no hydrogen 2.911 N/A GLY 121.A N THR 117.A O no hydrogen 2.781 N/A ALA 122.A N GLY 118.A O no hydrogen 2.925 N/A LEU 123.A N LEU 119.A O no hydrogen 3.002 N/A THR 124.A N GLY 121.A O no hydrogen 3.439 N/A THR 124.A OG1 VAL 120.A O no hydrogen 2.725 N/A LYS 125.A NZ LEU 123.A O no hydrogen 2.580 N/A TYR 127.A OH GLY 180.A O no hydrogen 3.208 N/A TYR 129.A N VAL 126.A O no hydrogen 3.105 N/A ARG 130.A N TYR 127.A O no hydrogen 3.331 N/A ARG 130.A NE GLU 179.A O no hydrogen 3.133 N/A ARG 130.A NH1 ALA 122.A O no hydrogen 2.843 N/A ARG 130.A NH1 THR 124.A O no hydrogen 2.888 N/A ARG 130.A NH2 ALA 122.A O no hydrogen 3.078 N/A ARG 130.A NH2 GLU 179.A O no hydrogen 2.801 N/A PHE 131.A N SER 128.A O no hydrogen 3.335 N/A VAL 132.A N TYR 129.A O no hydrogen 2.770 N/A TRP 133.A N TYR 129.A O no hydrogen 3.124 N/A TRP 134.A N ARG 130.A O no hydrogen 2.908 N/A TRP 134.A NE1 PRO 171.A O no hydrogen 3.087 N/A ALA 135.A N PHE 131.A O no hydrogen 3.033 N/A ILE 136.A N VAL 132.A O no hydrogen 3.093 N/A SER 137.A N TRP 133.A O no hydrogen 2.918 N/A SER 137.A OG MET 114.A O no hydrogen 2.709 N/A THR 138.A N TRP 134.A O no hydrogen 2.770 N/A THR 138.A OG1 TRP 134.A O no hydrogen 2.859 N/A ALA 139.A N ALA 135.A O no hydrogen 2.780 N/A ALA 140.A N ILE 136.A O no hydrogen 2.887 N/A MET 141.A N SER 137.A O no hydrogen 2.854 N/A LEU 142.A N THR 138.A O no hydrogen 2.946 N/A TYR 143.A N ALA 139.A O no hydrogen 3.087 N/A ILE 144.A N ALA 140.A O no hydrogen 2.973 N/A LEU 145.A N MET 141.A O no hydrogen 2.923 N/A TYR 146.A N LEU 142.A O no hydrogen 2.741 N/A VAL 147.A N TYR 143.A O no hydrogen 2.858 N/A LEU 148.A N ILE 144.A O no hydrogen 3.112 N/A PHE 149.A N LEU 145.A O no hydrogen 2.990 N/A PHE 149.A N TYR 146.A O no hydrogen 3.051 N/A PHE 150.A N TYR 146.A O no hydrogen 2.675 N/A GLY 151.A N VAL 147.A O no hydrogen 2.603 N/A THR 155.A OG1 SER 211.A OG no hydrogen 3.118 N/A PHE 156.A N VAL 152.A O no hydrogen 2.496 N/A LYS 157.A N ALA 153.A O no hydrogen 2.649 N/A VAL 158.A N SER 154.A O no hydrogen 2.984 N/A LEU 159.A N THR 155.A O no hydrogen 2.837 N/A ARG 160.A N PHE 156.A O no hydrogen 2.638 N/A ARG 160.A NH1 LEU 148.A O no hydrogen 3.159 N/A ASN 161.A N LYS 157.A O no hydrogen 3.108 N/A ASN 161.A ND2 LYS 157.A O no hydrogen 2.511 N/A VAL 162.A N VAL 158.A O no hydrogen 3.050 N/A THR 163.A N LEU 159.A O no hydrogen 2.957 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.823 N/A VAL 164.A N ARG 160.A O no hydrogen 2.982 N/A VAL 165.A N ASN 161.A O no hydrogen 2.966 N/A LEU 166.A N VAL 162.A O no hydrogen 2.761 N/A TRP 167.A N THR 163.A O no hydrogen 2.552 N/A SER 168.A N VAL 164.A O no hydrogen 3.044 N/A SER 168.A OG VAL 164.A O no hydrogen 2.410 N/A ALA 169.A N LEU 166.A O no hydrogen 3.117 N/A TYR 170.A N TRP 167.A O no hydrogen 3.214 N/A TYR 170.A OH ASP 197.A OD1 no hydrogen 2.601 N/A VAL 173.A N ALA 169.A O no hydrogen 3.217 N/A TRP 174.A N TYR 170.A O no hydrogen 3.117 N/A TRP 174.A N PRO 171.A O no hydrogen 3.134 N/A LEU 175.A N PRO 171.A O no hydrogen 3.035 N/A ILE 176.A N VAL 172.A O no hydrogen 2.712 N/A GLY 177.A N VAL 173.A O no hydrogen 3.137 N/A SER 178.A N GLU 189.A OE1 no hydrogen 2.757 N/A SER 178.A OG GLU 189.A OE1 no hydrogen 2.303 N/A GLY 180.A N GLY 177.A O no hydrogen 3.348 N/A ALA 181.A N LEU 175.A O no hydrogen 2.804 N/A GLY 182.A N GLY 177.A O no hydrogen 2.828 N/A ILE 183.A N ILE 176.A O no hydrogen 2.505 N/A VAL 184.A N ILE 176.A O no hydrogen 2.709 N/A GLU 189.A N PRO 185.A O no hydrogen 2.844 N/A THR 190.A N LEU 186.A O no hydrogen 2.691 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.867 N/A LEU 191.A N ASN 187.A O no hydrogen 3.401 N/A LEU 192.A N ILE 188.A O no hydrogen 3.073 N/A PHE 193.A N GLU 189.A O no hydrogen 3.185 N/A MET 194.A N THR 190.A O no hydrogen 2.882 N/A VAL 195.A N LEU 191.A O no hydrogen 2.883 N/A LEU 196.A N LEU 192.A O no hydrogen 2.860 N/A ASP 197.A N PHE 193.A O no hydrogen 2.717 N/A VAL 198.A N MET 194.A O no hydrogen 2.825 N/A SER 199.A N VAL 195.A O no hydrogen 2.963 N/A SER 199.A OG VAL 195.A O no hydrogen 2.593 N/A ALA 200.A N LEU 196.A O no hydrogen 2.606 N/A LYS 201.A N ASP 197.A O no hydrogen 2.495 N/A LYS 201.A NZ THR 85.A OG1 no hydrogen 3.244 N/A VAL 202.A N VAL 198.A O no hydrogen 2.805 N/A GLY 203.A N VAL 198.A O no hydrogen 3.089 N/A PHE 204.A N SER 199.A O no hydrogen 2.952 N/A LEU 206.A N VAL 202.A O no hydrogen 2.821 N/A ILE 207.A N GLY 203.A O no hydrogen 3.078 N/A LEU 208.A N PHE 204.A O no hydrogen 3.036 N/A LEU 209.A N GLY 205.A O no hydrogen 2.987 N/A ARG 210.A N LEU 206.A O no hydrogen 3.227 N/A SER 211.A N LEU 208.A O no hydrogen 3.205 N/A SER 211.A OG THR 155.A OG1 no hydrogen 3.118 N/A ALA 213.A N SER 211.A OG no hydrogen 2.903 N/A PHE 215.A N ARG 212.A O no hydrogen 2.736 N/A