Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 2.A OD1 no hydrogen 2.793 N/A GLU 5.A N ASP 2.A O no hydrogen 2.822 N/A LEU 6.A N ASP 2.A O no hydrogen 2.807 N/A PHE 7.A N PRO 3.A O no hydrogen 3.061 N/A THR 8.A N ILE 25.A O no hydrogen 3.020 N/A THR 8.A OG1 ASN 27.A OD1 no hydrogen 2.458 N/A LEU 10.A N LYS 23.A O no hydrogen 2.748 N/A GLU 11.A N LYS 23.A O no hydrogen 3.387 N/A ILE 13.A N VAL 21.A O no hydrogen 2.998 N/A GLY 14.A N VAL 21.A O no hydrogen 3.256 N/A GLU 20.A N ILE 37.A O no hydrogen 2.967 N/A VAL 21.A N GLY 14.A O no hydrogen 2.899 N/A PHE 22.A N ILE 35.A O no hydrogen 2.716 N/A LYS 23.A N GLU 11.A O no hydrogen 2.815 N/A GLY 24.A N VAL 33.A O no hydrogen 2.744 N/A ILE 25.A N THR 8.A O no hydrogen 3.090 N/A ASP 26.A N LYS 31.A O no hydrogen 2.968 N/A ASN 27.A N LEU 6.A O no hydrogen 2.705 N/A ASN 27.A ND2 GLU 5.A O no hydrogen 3.097 N/A ARG 28.A N ASP 26.A OD1 no hydrogen 3.126 N/A THR 29.A OG1 ARG 28.A O no hydrogen 2.290 N/A GLN 30.A N ASP 26.A O no hydrogen 2.854 N/A VAL 33.A N GLY 24.A O no hydrogen 2.655 N/A ALA 34.A N MET 82.A O no hydrogen 2.889 N/A ILE 35.A N PHE 22.A O no hydrogen 2.703 N/A LYS 36.A N ILE 80.A O no hydrogen 2.848 N/A LYS 36.A NZ GLU 53.A OE2 no hydrogen 2.927 N/A ILE 37.A N GLU 20.A O no hydrogen 2.797 N/A ILE 38.A N LEU 78.A O no hydrogen 2.895 N/A LEU 40.A N THR 76.A O no hydrogen 2.869 N/A GLU 41.A N ASP 39.A OD1 no hydrogen 2.846 N/A GLU 42.A N ASP 39.A OD1 no hydrogen 3.150 N/A ALA 43.A N ASP 39.A O no hydrogen 2.959 N/A GLU 46.A N ALA 43.A O no hydrogen 2.770 N/A ILE 47.A N GLU 44.A O no hydrogen 3.380 N/A ILE 50.A N GLU 46.A O no hydrogen 2.864 N/A GLN 51.A N ILE 47.A O no hydrogen 2.834 N/A GLN 52.A N GLU 48.A O no hydrogen 3.089 N/A GLN 52.A NE2 ALA 149.A O no hydrogen 2.743 N/A GLU 53.A N ASP 49.A O no hydrogen 2.951 N/A ILE 54.A N ILE 50.A O no hydrogen 3.087 N/A THR 55.A N GLN 51.A O no hydrogen 3.027 N/A THR 55.A OG1 GLN 51.A O no hydrogen 2.805 N/A VAL 56.A N GLN 52.A O no hydrogen 2.955 N/A LEU 57.A N GLU 53.A O no hydrogen 2.905 N/A SER 58.A N ILE 54.A O no hydrogen 2.831 N/A SER 58.A OG ILE 54.A O no hydrogen 3.353 N/A SER 58.A OG THR 55.A O no hydrogen 2.715 N/A GLN 59.A N THR 55.A O no hydrogen 3.158 N/A GLN 59.A N VAL 56.A O no hydrogen 3.082 N/A CYS 60.A N LEU 57.A O no hydrogen 3.244 N/A CYS 60.A SG VAL 56.A O no hydrogen 3.317 N/A ASP 61.A N TYR 117.A OH no hydrogen 2.866 N/A TYR 64.A N SER 62.A OG no hydrogen 3.088 N/A VAL 65.A N SER 62.A O no hydrogen 3.223 N/A THR 66.A N LEU 143.A O no hydrogen 3.155 N/A LYS 67.A N GLU 83.A OE2 no hydrogen 2.901 N/A LYS 67.A NZ SER 62.A O no hydrogen 3.306 N/A TYR 68.A OH SER 71.A OG no hydrogen 2.860 N/A TYR 69.A N ILE 81.A O no hydrogen 2.763 N/A SER 71.A OG TYR 68.A OH no hydrogen 2.860 N/A TYR 72.A N TRP 79.A O no hydrogen 2.853 N/A LYS 74.A N LYS 77.A O no hydrogen 2.917 N/A LYS 74.A NZ ASP 2.A OD1 no hydrogen 2.829 N/A LYS 74.A NZ ASP 2.A OD2 no hydrogen 2.924 N/A LYS 74.A NZ GLU 4.A OE1 no hydrogen 3.286 N/A LYS 77.A N LYS 74.A O no hydrogen 2.827 N/A LEU 78.A N ILE 38.A O no hydrogen 2.830 N/A TRP 79.A N TYR 72.A O no hydrogen 2.715 N/A ILE 80.A N LYS 36.A O no hydrogen 2.807 N/A ILE 81.A N GLY 70.A O no hydrogen 2.933 N/A MET 82.A N ALA 34.A O no hydrogen 2.884 N/A GLU 83.A N LYS 67.A O no hydrogen 2.896 N/A GLY 87.A N LEU 135.A O no hydrogen 2.727 N/A SER 89.A N ASP 92.A OD2 no hydrogen 2.917 N/A ALA 90.A N VAL 133.A O no hydrogen 2.805 N/A LEU 91.A N ALA 130.A O no hydrogen 3.318 N/A ASP 92.A N SER 89.A OG no hydrogen 2.948 N/A LEU 93.A N SER 89.A O no hydrogen 2.973 N/A LEU 94.A N LEU 91.A O no hydrogen 3.076 N/A GLU 95.A N ASP 92.A O no hydrogen 2.967 N/A GLY 97.A N LEU 94.A O no hydrogen 3.191 N/A ASP 100.A N GLN 103.A OE1 no hydrogen 2.941 N/A GLN 103.A N ASP 100.A OD1 no hydrogen 2.768 N/A ILE 104.A N ASP 100.A O no hydrogen 2.967 N/A ALA 105.A N GLU 101.A O no hydrogen 2.863 N/A THR 106.A N THR 102.A O no hydrogen 3.008 N/A THR 106.A OG1 THR 102.A O no hydrogen 2.728 N/A THR 106.A OG1 LYS 261.A O no hydrogen 3.488 N/A ILE 107.A N GLN 103.A O no hydrogen 3.010 N/A LEU 108.A N ILE 104.A O no hydrogen 2.914 N/A ARG 109.A N ALA 105.A O no hydrogen 2.921 N/A ARG 109.A NE GLU 110.A OE1 no hydrogen 2.987 N/A ARG 109.A NH2 GLU 110.A OE1 no hydrogen 3.188 N/A ARG 109.A NH2 LYS 261.A O no hydrogen 2.787 N/A GLU 110.A N THR 106.A O no hydrogen 3.192 N/A ILE 111.A N ILE 107.A O no hydrogen 2.992 N/A LEU 112.A N LEU 108.A O no hydrogen 2.854 N/A LYS 113.A N ARG 109.A O no hydrogen 2.928 N/A LYS 113.A NZ GLU 110.A OE1 no hydrogen 3.182 N/A GLY 114.A N GLU 110.A O no hydrogen 3.056 N/A LEU 115.A N ILE 111.A O no hydrogen 2.823 N/A ASP 116.A N LEU 112.A O no hydrogen 2.809 N/A TYR 117.A N LYS 113.A O no hydrogen 2.959 N/A LEU 118.A N GLY 114.A O no hydrogen 2.913 N/A HIS 119.A N LEU 115.A O no hydrogen 2.749 N/A HIS 119.A NE2 ASP 183.A OD2 no hydrogen 2.830 N/A SER 120.A N ASP 116.A O no hydrogen 2.910 N/A SER 120.A OG ASP 116.A O no hydrogen 3.199 N/A SER 120.A OG TYR 117.A O no hydrogen 2.575 N/A GLU 121.A N TYR 117.A O no hydrogen 3.045 N/A GLU 121.A N LEU 118.A O no hydrogen 2.875 N/A LYS 122.A N HIS 119.A O no hydrogen 2.949 N/A LYS 122.A NZ LEU 152.A O no hydrogen 3.551 N/A LYS 123.A N LEU 118.A O no hydrogen 2.856 N/A LYS 123.A NZ GLN 59.A OE1 no hydrogen 2.873 N/A LYS 123.A NZ GLN 151.A OE1 no hydrogen 2.902 N/A ILE 124.A N GLY 150.A O no hydrogen 2.848 N/A HIS 125.A N ASP 183.A OD2 no hydrogen 2.814 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.780 N/A ARG 126.A N ASP 183.A OD1 no hydrogen 2.776 N/A ARG 126.A NE VAL 148.A O no hydrogen 2.842 N/A ARG 126.A NH1 TYR 178.A OH no hydrogen 2.747 N/A ARG 126.A NH2 VAL 148.A O no hydrogen 2.932 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.019 N/A LYS 129.A NZ THR 164.A OG1 no hydrogen 2.943 N/A ALA 130.A N GLU 193.A OE1 no hydrogen 2.916 N/A ASN 132.A N LYS 129.A O no hydrogen 2.885 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.976 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 3.198 N/A VAL 133.A N ALA 130.A O no hydrogen 3.264 N/A LEU 134.A N LYS 142.A O no hydrogen 2.881 N/A LEU 135.A N GLY 88.A O no hydrogen 2.994 N/A SER 136.A N GLU 140.A O no hydrogen 2.839 N/A HIS 138.A N SER 136.A OG no hydrogen 3.133 N/A GLY 139.A N SER 136.A O no hydrogen 2.982 N/A GLU 140.A N SER 136.A OG no hydrogen 3.234 N/A LYS 142.A N LEU 134.A O no hydrogen 2.843 N/A LYS 142.A NZ PRO 63.A O no hydrogen 2.792 N/A LYS 142.A NZ GLU 83.A OE1 no hydrogen 2.785 N/A LYS 142.A NZ GLU 83.A OE2 no hydrogen 3.526 N/A LEU 143.A N TYR 64.A O no hydrogen 2.817 N/A ALA 144.A N ASN 132.A O no hydrogen 2.875 N/A ALA 149.A N PHE 146.A O no hydrogen 3.194 N/A GLY 150.A N ILE 124.A O no hydrogen 2.864 N/A GLN 151.A NE2 GLU 121.A O no hydrogen 3.188 N/A GLN 151.A NE2 LEU 152.A O no hydrogen 2.924 N/A LEU 152.A N LYS 122.A O no hydrogen 2.808 N/A THR 153.A N GLN 156.A O no hydrogen 2.816 N/A THR 153.A OG1 THR 155.A OG1 no hydrogen 3.161 N/A THR 155.A OG1 THR 153.A OG1 no hydrogen 3.161 N/A GLN 156.A N THR 153.A OG1 no hydrogen 2.961 N/A GLN 156.A NE2 LYS 158.A O no hydrogen 2.926 N/A LYS 158.A NZ ASP 179.A OD2 no hydrogen 3.192 N/A ARG 159.A N TYR 178.A O no hydrogen 2.773 N/A ARG 159.A NE GLN 151.A O no hydrogen 3.121 N/A ARG 159.A NH2 GLN 151.A O no hydrogen 2.856 N/A THR 164.A OG1 ASP 127.A OD1 no hydrogen 2.552 N/A THR 164.A OG1 ASP 127.A OD2 no hydrogen 3.570 N/A TRP 167.A N THR 164.A O no hydrogen 2.803 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.927 N/A MET 168.A N PRO 165.A O no hydrogen 3.148 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.738 N/A VAL 172.A N ALA 169.A O no hydrogen 2.990 N/A ILE 173.A N ALA 169.A O no hydrogen 3.143 N/A LYS 174.A N PRO 170.A O no hydrogen 2.999 N/A SER 176.A N GLU 171.A O no hydrogen 3.030 N/A SER 176.A OG LYS 174.A O no hydrogen 2.416 N/A TYR 178.A N ARG 159.A O no hydrogen 2.831 N/A LYS 181.A N ASP 179.A OD1 no hydrogen 3.072 N/A LYS 181.A NZ PRO 241.A O no hydrogen 3.418 N/A LYS 181.A NZ ARG 244.A O no hydrogen 2.746 N/A ALA 182.A N ASP 179.A O no hydrogen 3.043 N/A ASP 183.A N SER 180.A O no hydrogen 2.970 N/A ILE 184.A N LYS 181.A O no hydrogen 2.856 N/A TRP 185.A N LYS 181.A O no hydrogen 3.191 N/A SER 186.A N ALA 182.A O no hydrogen 3.191 N/A SER 186.A OG TRP 167.A O no hydrogen 2.650 N/A SER 186.A OG ALA 182.A O no hydrogen 3.466 N/A LEU 187.A N ASP 183.A O no hydrogen 2.955 N/A GLY 188.A N ILE 184.A O no hydrogen 3.105 N/A ILE 189.A N TRP 185.A O no hydrogen 3.051 N/A THR 190.A N SER 186.A O no hydrogen 2.798 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.791 N/A ALA 191.A N LEU 187.A O no hydrogen 2.758 N/A ILE 192.A N GLY 188.A O no hydrogen 3.201 N/A GLU 193.A N ILE 189.A O no hydrogen 2.871 N/A LEU 194.A N THR 190.A O no hydrogen 2.750 N/A ALA 195.A N ALA 191.A O no hydrogen 3.056 N/A ALA 195.A N ILE 192.A O no hydrogen 3.002 N/A ARG 196.A N ILE 192.A O no hydrogen 2.728 N/A GLY 197.A N GLU 193.A O no hydrogen 2.669 N/A SER 202.A OG GLU 198.A OE1 no hydrogen 2.926 N/A SER 202.A OG GLU 203.A OE2 no hydrogen 3.348 N/A LEU 204.A N HIS 201.A O no hydrogen 2.971 N/A MET 207.A N HIS 205.A ND1 no hydrogen 2.931 N/A LYS 208.A N HIS 205.A O no hydrogen 2.812 N/A VAL 209.A N HIS 205.A O no hydrogen 3.102 N/A LEU 210.A N PRO 206.A O no hydrogen 3.133 N/A PHE 211.A N LYS 208.A O no hydrogen 3.215 N/A LEU 212.A N LYS 208.A O no hydrogen 3.172 N/A ILE 213.A N VAL 209.A O no hydrogen 2.885 N/A LYS 215.A N PHE 211.A O no hydrogen 3.304 N/A ASN 216.A N LEU 212.A O no hydrogen 2.791 N/A THR 220.A OG1 GLU 222.A OE2 no hydrogen 2.733 N/A TYR 225.A N GLY 223.A O no hydrogen 2.791 N/A TYR 225.A OH ALA 195.A O no hydrogen 3.015 N/A SER 226.A N GLU 101.A OE2 no hydrogen 2.712 N/A SER 226.A OG GLU 101.A OE1 no hydrogen 2.548 N/A LYS 230.A N SER 226.A O no hydrogen 3.070 N/A LYS 230.A NZ GLY 223.A O no hydrogen 2.891 N/A GLU 231.A N LYS 227.A O no hydrogen 2.808 N/A PHE 232.A N PRO 228.A O no hydrogen 2.810 N/A VAL 233.A N LEU 229.A O no hydrogen 3.045 N/A GLU 234.A N LYS 230.A O no hydrogen 3.003 N/A ALA 235.A N GLU 231.A O no hydrogen 2.919 N/A CYS 236.A N PHE 232.A O no hydrogen 3.261 N/A CYS 236.A SG PHE 232.A O no hydrogen 3.532 N/A LEU 237.A N VAL 233.A O no hydrogen 2.938 N/A LYS 239.A NZ PRO 214.A O no hydrogen 3.287 N/A LYS 239.A NZ ASN 216.A O no hydrogen 2.802 N/A GLU 240.A N ASN 238.A OD1 no hydrogen 3.036 N/A SER 242.A N GLU 240.A OE1 no hydrogen 3.071 N/A SER 242.A OG GLU 240.A OE1 no hydrogen 2.585 N/A PHE 243.A N GLU 240.A O no hydrogen 3.095 N/A ARG 244.A N PRO 241.A O no hydrogen 3.014 N/A ARG 244.A NE ASN 238.A O no hydrogen 2.780 N/A ARG 244.A NH1 GLU 171.A OE2 no hydrogen 2.619 N/A ARG 244.A NH1 LYS 181.A O no hydrogen 2.822 N/A ARG 244.A NH2 GLU 171.A OE1 no hydrogen 2.793 N/A ARG 244.A NH2 ASN 238.A O no hydrogen 3.022 N/A THR 246.A N GLU 249.A OE2 no hydrogen 3.026 N/A THR 246.A OG1 GLU 249.A OE2 no hydrogen 3.285 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.143 N/A LEU 250.A N THR 246.A O no hydrogen 3.032 N/A LEU 251.A N ALA 247.A O no hydrogen 3.001 N/A LYS 252.A N GLU 249.A O no hydrogen 2.985 N/A HIS 253.A N LEU 250.A O no hydrogen 2.920 N/A PHE 255.A N HIS 253.A ND1 no hydrogen 2.986 N/A LEU 257.A N HIS 253.A O no hydrogen 2.956 N/A ARG 258.A N LYS 254.A O no hydrogen 2.907 N/A ASN 259.A N PHE 255.A O no hydrogen 3.200 N/A ASN 259.A N ILE 256.A O no hydrogen 3.314 N/A ASN 259.A ND2 PHE 255.A O no hydrogen 3.010 N/A ALA 260.A N ILE 256.A O no hydrogen 2.916 N/A LYS 261.A N THR 106.A OG1 no hydrogen 3.046 N/A LYS 261.A NZ ARG 258.A O no hydrogen 3.081 N/A LYS 261.A NZ ALA 260.A O no hydrogen 3.010 N/A TYR 265.A N LYS 262.A O no hydrogen 3.168 N/A LEU 266.A N THR 263.A O no hydrogen 2.842 N/A THR 267.A N SER 264.A O no hydrogen 3.252 N/A THR 267.A OG1 SER 264.A O no hydrogen 3.030 N/A GLU 268.A N TYR 265.A O no hydrogen 3.178 N/A ILE 270.A N LEU 266.A O no hydrogen 3.005 N/A ASP 271.A N THR 267.A O no hydrogen 2.758 N/A ARG 272.A N GLU 268.A O no hydrogen 2.994 N/A ARG 272.A NH1 PRO 98.A O no hydrogen 2.978 N/A ARG 272.A NH2 LEU 93.A O no hydrogen 2.947 N/A ARG 272.A NH2 GLY 97.A O no hydrogen 2.849 N/A ARG 272.A NH2 PRO 98.A O no hydrogen 3.527 N/A TYR 273.A N LEU 269.A O no hydrogen 3.121 N/A LYS 274.A N ILE 270.A O no hydrogen 3.107 N/A ARG 275.A N ASP 271.A O no hydrogen 2.883 N/A ARG 275.A NH2 GLU 268.A OE1 no hydrogen 3.194 N/A TRP 276.A N ARG 272.A O no hydrogen 2.961 N/A LYS 277.A N TYR 273.A O no hydrogen 2.774 N/A ALA 278.A N LYS 274.A O no hydrogen 3.038 N/A GLU 279.A N TRP 276.A O no hydrogen 3.104 N/A GLN 280.A N LYS 277.A O no hydrogen 3.425 N/A