Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gtr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH SER 38.A OG no hydrogen 2.852 N/A ARG 3.A N GLU 35.A OE2 no hydrogen 2.829 N/A ASP 4.A N GLU 35.A OE1 no hydrogen 2.843 N/A VAL 6.A N LEU 17.A O no hydrogen 2.862 N/A ARG 8.A N HIS 15.A O no hydrogen 2.824 N/A LYS 9.A NZ ASP 47.A OD1 no hydrogen 2.863 N/A GLN 10.A N PHE 13.A O no hydrogen 3.105 N/A PHE 13.A N GLN 10.A O no hydrogen 3.314 N/A THR 14.A N LEU 50.A O no hydrogen 3.102 N/A THR 14.A OG1 SER 48.A OG no hydrogen 2.622 N/A HIS 15.A N ARG 8.A O no hydrogen 2.728 N/A HIS 15.A NE2 SER 54.A OG no hydrogen 2.746 N/A ILE 16.A N LEU 52.A O no hydrogen 2.846 N/A LEU 17.A N VAL 6.A O no hydrogen 2.780 N/A LEU 18.A N SER 54.A O no hydrogen 2.894 N/A SER 19.A N ASP 4.A O no hydrogen 2.880 N/A THR 20.A N ASN 26.A OD1 no hydrogen 2.866 N/A THR 20.A OG1 SER 23.A O no hydrogen 2.637 N/A THR 20.A OG1 SER 23.A OG no hydrogen 3.052 N/A LYS 21.A N ASP 4.A OD1 no hydrogen 2.791 N/A SER 22.A N ASP 4.A OD1 no hydrogen 2.773 N/A SER 22.A OG ASP 4.A OD1 no hydrogen 3.283 N/A SER 22.A OG ASP 4.A OD2 no hydrogen 2.886 N/A SER 23.A OG THR 20.A OG1 no hydrogen 3.052 N/A SER 23.A OG SER 27.A O no hydrogen 2.608 N/A ASN 26.A ND2 LEU 18.A O no hydrogen 3.396 N/A ASN 26.A ND2 VAL 56.A O no hydrogen 3.216 N/A ASN 26.A ND2 VAL 59.A O no hydrogen 3.072 N/A ASN 26.A ND2 PHE 60.A O no hydrogen 3.387 N/A SER 27.A N GLU 24.A O no hydrogen 3.039 N/A SER 27.A OG GLU 24.A O no hydrogen 2.554 N/A LEU 28.A N GLY 63.A O no hydrogen 2.760 N/A ASN 29.A ND2 SER 22.A OG no hydrogen 3.051 N/A GLU 31.A N.A GLU 31.A OE1.A no hydrogen 3.060 N/A VAL 32.A N ASN 29.A OD1 no hydrogen 2.919 N/A MET 33.A N ASN 29.A O no hydrogen 3.035 N/A ARG 34.A N PRO 30.A O no hydrogen 3.003 N/A GLU 35.A N GLU 31.A O.A no hydrogen 3.185 N/A GLU 35.A N GLU 31.A O.B no hydrogen 3.110 N/A VAL 36.A N VAL 32.A O no hydrogen 3.106 N/A GLN 37.A N MET 33.A O no hydrogen 3.025 N/A GLN 37.A NE2 MET 33.A O no hydrogen 3.021 N/A SER 38.A N ARG 34.A O no hydrogen 2.868 N/A SER 38.A OG TYR 2.A OH no hydrogen 2.852 N/A ALA 39.A N GLU 35.A O no hydrogen 2.862 N/A LEU 40.A N VAL 36.A O no hydrogen 2.916 N/A SER 41.A N GLN 37.A O no hydrogen 2.801 N/A SER 41.A OG GLN 37.A O no hydrogen 2.965 N/A THR 42.A N SER 38.A O no hydrogen 3.081 N/A THR 42.A OG1 SER 38.A O no hydrogen 3.294 N/A ALA 43.A N ALA 39.A O no hydrogen 3.089 N/A ALA 44.A N LEU 40.A O no hydrogen 2.844 N/A ALA 45.A N SER 41.A O no hydrogen 3.267 N/A ALA 45.A N THR 42.A O no hydrogen 3.097 N/A SER 48.A N ASP 46.A OD1 no hydrogen 3.042 N/A SER 48.A OG THR 14.A OG1 no hydrogen 2.622 N/A SER 48.A OG ASP 46.A OD1 no hydrogen 2.762 N/A LYS 49.A N GLY 12.A O no hydrogen 2.793 N/A LYS 49.A NZ ALA 202.A O no hydrogen 2.972 N/A LYS 49.A NZ CYS 204.A O no hydrogen 3.012 N/A VAL 51.A N PRO 101.A O no hydrogen 2.906 N/A LEU 52.A N THR 14.A O no hydrogen 2.783 N/A LEU 53.A N ILE 103.A O no hydrogen 2.815 N/A SER 54.A N ILE 16.A O no hydrogen 2.930 N/A SER 54.A OG HIS 15.A NE2 no hydrogen 2.746 N/A VAL 56.A N LEU 18.A O no hydrogen 2.823 N/A PHE 60.A N PRO 109.A O no hydrogen 2.968 N/A CYS 61.A N PRO 109.A O no hydrogen 3.152 N/A CYS 61.A SG ASN 26.A O no hydrogen 3.375 N/A CYS 62.A N ASN 26.A O no hydrogen 3.236 N/A ASP 65.A N LEU 28.A O no hydrogen 2.826 N/A TYR 68.A N ASP 65.A OD1 no hydrogen 2.965 N/A TYR 68.A OH GLU 31.A OE1.A no hydrogen 2.868 N/A PHE 69.A N ASP 65.A O no hydrogen 3.018 N/A ILE 70.A N PHE 66.A O no hydrogen 2.780 N/A ARG 71.A N ILE 67.A O no hydrogen 3.385 N/A ARG 72.A N TYR 68.A O no hydrogen 3.264 N/A ARG 72.A NH1 TYR 68.A O no hydrogen 3.307 N/A LEU 73.A N PHE 69.A O no hydrogen 2.944 N/A THR 74.A N ILE 70.A O no hydrogen 2.875 N/A THR 74.A OG1 ARG 71.A O no hydrogen 2.942 N/A ASP 75.A N ARG 72.A O no hydrogen 3.181 N/A ASP 76.A N ARG 72.A O no hydrogen 3.282 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 3.046 N/A ARG 79.A NE GLU 80.A OE2 no hydrogen 2.743 N/A ARG 79.A NH2 ASP 75.A OD2 no hydrogen 2.974 N/A ARG 79.A NH2 GLU 80.A OE2 no hydrogen 2.758 N/A GLU 80.A N ASP 76.A O no hydrogen 2.841 N/A SER 81.A N ARG 77.A O no hydrogen 3.024 N/A SER 81.A OG ARG 77.A O no hydrogen 2.781 N/A SER 81.A OG LYS 78.A O no hydrogen 3.146 N/A THR 82.A N LYS 78.A O no hydrogen 3.421 N/A THR 82.A OG1 LYS 78.A O no hydrogen 3.150 N/A LYS 83.A N ARG 79.A O no hydrogen 3.022 N/A LYS 83.A NZ GLU 80.A OE2 no hydrogen 3.028 N/A MET 84.A N GLU 80.A O no hydrogen 2.819 N/A ALA 85.A N SER 81.A O no hydrogen 3.035 N/A GLU 86.A N THR 82.A O no hydrogen 2.917 N/A ALA 87.A N LYS 83.A O no hydrogen 2.951 N/A ILE 88.A N MET 84.A O no hydrogen 2.949 N/A ARG 89.A N ALA 85.A O no hydrogen 2.987 N/A ARG 89.A NE GLU 229.A OE2 no hydrogen 3.481 N/A ARG 89.A NH2 GLU 229.A OE2 no hydrogen 3.428 N/A ASN 90.A N GLU 86.A O no hydrogen 2.881 N/A PHE 91.A N ALA 87.A O no hydrogen 2.904 N/A VAL 92.A N ILE 88.A O no hydrogen 2.823 N/A ASN 93.A N ARG 89.A O no hydrogen 2.885 N/A THR 94.A N ASN 90.A O no hydrogen 3.067 N/A THR 94.A N PHE 91.A O no hydrogen 3.117 N/A THR 94.A OG1 ASN 90.A O no hydrogen 3.007 N/A ILE 96.A N VAL 92.A O no hydrogen 3.045 N/A GLN 97.A N ASN 93.A O no hydrogen 2.927 N/A GLN 97.A NE2 ASN 93.A OD1 no hydrogen 2.858 N/A GLN 97.A NE2 GLU 225.A OE2 no hydrogen 2.901 N/A PHE 98.A N PHE 95.A O no hydrogen 3.382 N/A LYS 100.A NZ ALA 43.A O no hydrogen 2.893 N/A LYS 100.A NZ ALA 44.A O no hydrogen 3.507 N/A LYS 100.A NZ ASP 46.A O no hydrogen 2.814 N/A LYS 100.A NZ SER 48.A O no hydrogen 2.707 N/A ILE 102.A N ASP 122.A OD2 no hydrogen 2.666 N/A ILE 103.A N VAL 51.A O no hydrogen 2.766 N/A VAL 104.A N VAL 123.A O no hydrogen 2.843 N/A ALA 105.A N LEU 53.A O no hydrogen 2.913 N/A VAL 106.A N TRP 125.A O no hydrogen 2.898 N/A ALA 110.A N TRP 131.A O no hydrogen 2.870 N/A ILE 111.A N CYS 61.A O no hydrogen 2.842 N/A GLY 112.A N GLN 133.A O no hydrogen 2.944 N/A GLY 114.A N ILE 111.A O no hydrogen 2.980 N/A ALA 115.A N GLY 112.A O no hydrogen 3.019 N/A SER 116.A N GLY 112.A O no hydrogen 2.945 N/A SER 116.A OG GLY 112.A O no hydrogen 3.559 N/A SER 116.A OG TYR 136.A OH no hydrogen 2.608 N/A SER 116.A OG ASP 144.A O no hydrogen 3.130 N/A ILE 117.A N LEU 113.A O no hydrogen 3.169 N/A LEU 118.A N ALA 115.A O no hydrogen 3.129 N/A LEU 120.A N ILE 117.A O no hydrogen 2.928 N/A CYS 121.A N LEU 118.A O no hydrogen 2.886 N/A CYS 121.A SG ILE 117.A O no hydrogen 3.735 N/A ASP 122.A N ILE 102.A O no hydrogen 2.783 N/A VAL 123.A N ILE 102.A O no hydrogen 3.285 N/A VAL 124.A N SER 182.A OG no hydrogen 2.941 N/A TRP 125.A N VAL 104.A O no hydrogen 2.803 N/A ALA 126.A N GLN 183.A O no hydrogen 3.154 N/A ASN 127.A N VAL 106.A O no hydrogen 3.289 N/A ASN 127.A ND2 ASN 107.A OD1 no hydrogen 2.514 N/A LYS 129.A N ASN 127.A OD1 no hydrogen 2.834 N/A ALA 130.A N ASN 127.A O no hydrogen 2.960 N/A PHE 132.A N LEU 170.A O no hydrogen 2.999 N/A GLN 133.A N ALA 110.A O no hydrogen 3.119 N/A GLN 133.A NE2 GLY 167.A O no hydrogen 2.874 N/A THR 134.A OG1 MET 163.A O no hydrogen 3.076 N/A TYR 136.A OH SER 116.A OG no hydrogen 2.608 N/A TYR 136.A OH ASP 144.A OD1 no hydrogen 2.327 N/A THR 137.A OG1 LEU 165.A O no hydrogen 2.624 N/A PHE 139.A N PRO 135.A O no hydrogen 3.083 N/A GLY 140.A N THR 137.A O no hydrogen 3.031 N/A GLN 141.A N TYR 136.A O no hydrogen 2.963 N/A CYS 146.A N GLU 231.A OE1 no hydrogen 2.736 N/A CYS 146.A SG LEU 224.A O no hydrogen 3.317 N/A SER 147.A N ASP 144.A O no hydrogen 3.144 N/A SER 147.A OG ASP 144.A O no hydrogen 2.912 N/A THR 148.A N GLU 231.A OE2 no hydrogen 2.988 N/A THR 148.A OG1 GLU 231.A OE2 no hydrogen 2.515 N/A VAL 149.A N CYS 146.A O no hydrogen 3.205 N/A MET 150.A N CYS 146.A O no hydrogen 2.899 N/A PHE 151.A N SER 147.A O no hydrogen 2.998 N/A LYS 153.A N VAL 149.A O no hydrogen 3.302 N/A ILE 154.A N MET 150.A O no hydrogen 3.007 N/A ILE 154.A N PHE 151.A O no hydrogen 3.161 N/A MET 155.A N PHE 151.A O no hydrogen 3.037 N/A GLY 156.A N PRO 152.A O no hydrogen 2.889 N/A ALA 160.A N GLY 156.A O no hydrogen 2.932 N/A ASN 161.A N GLY 157.A O no hydrogen 2.807 N/A GLU 162.A N ALA 158.A O no hydrogen 3.133 N/A MET 163.A N SER 159.A O no hydrogen 3.124 N/A LEU 164.A N ALA 160.A O no hydrogen 2.862 N/A LEU 165.A N ASN 161.A O no hydrogen 2.776 N/A SER 166.A N GLU 162.A O no hydrogen 2.916 N/A ARG 168.A NH1 GLU 162.A OE1 no hydrogen 3.085 N/A ARG 168.A NH2 GLU 174.A OE2 no hydrogen 2.821 N/A LEU 170.A N PHE 132.A O no hydrogen 2.748 N/A THR 171.A N GLU 174.A OE1 no hydrogen 2.993 N/A GLU 174.A N THR 171.A OG1 no hydrogen 3.088 N/A ALA 175.A N THR 171.A O no hydrogen 2.801 N/A CYS 176.A N ALA 172.A O no hydrogen 2.853 N/A CYS 176.A SG VAL 181.A O no hydrogen 3.536 N/A CYS 176.A SG SER 182.A O no hydrogen 3.810 N/A GLY 177.A N GLN 173.A O no hydrogen 3.174 N/A LYS 178.A N GLU 174.A O no hydrogen 2.935 N/A LYS 178.A NZ SER 159.A OG no hydrogen 2.886 N/A GLY 179.A N CYS 176.A O no hydrogen 3.150 N/A LEU 180.A N ALA 175.A O no hydrogen 2.864 N/A VAL 181.A N ALA 175.A O no hydrogen 3.350 N/A SER 182.A N VAL 124.A O no hydrogen 2.722 N/A PHE 185.A N ALA 126.A O no hydrogen 2.874 N/A PHE 190.A N PRO 187.A O no hydrogen 3.413 N/A GLU 193.A N THR 189.A O no hydrogen 2.961 N/A VAL 194.A N PHE 190.A O no hydrogen 2.903 N/A MET 195.A N THR 191.A O no hydrogen 2.905 N/A VAL 196.A N GLN 192.A O no hydrogen 2.988 N/A ARG 197.A NH1 GLU 193.A O no hydrogen 2.917 N/A ARG 197.A NH1 GLU 193.A OE1 no hydrogen 2.613 N/A ILE 198.A N VAL 194.A O no hydrogen 2.927 N/A LYS 199.A N.A MET 195.A O no hydrogen 2.906 N/A LYS 199.A N.B MET 195.A O no hydrogen 2.909 N/A LYS 199.A NZ.B MET 195.A O no hydrogen 3.291 N/A GLU 200.A N VAL 196.A O no hydrogen 3.026 N/A LEU 201.A N ARG 197.A O no hydrogen 2.843 N/A ALA 202.A N ILE 198.A O no hydrogen 2.785 N/A SER 203.A N LYS 199.A O.A no hydrogen 3.024 N/A SER 203.A N GLU 200.A O no hydrogen 3.152 N/A SER 203.A OG GLU 200.A O no hydrogen 2.689 N/A CYS 204.A N LEU 201.A O no hydrogen 3.152 N/A CYS 204.A SG GLU 200.A O no hydrogen 3.726 N/A VAL 207.A N ASN 205.A OD1 no hydrogen 2.945 N/A LEU 209.A N ASN 205.A O no hydrogen 3.175 N/A GLU 210.A N PRO 206.A O no hydrogen 3.063 N/A GLU 211.A N VAL 207.A O no hydrogen 2.882 N/A SER 212.A N VAL 208.A O no hydrogen 3.047 N/A SER 212.A OG VAL 208.A O no hydrogen 2.859 N/A LYS 213.A N LEU 209.A O no hydrogen 2.985 N/A LYS 213.A NZ PHE 98.A O no hydrogen 3.251 N/A LYS 213.A NZ LYS 100.A O no hydrogen 2.923 N/A LYS 213.A NZ ASP 122.A OD1 no hydrogen 3.366 N/A LYS 213.A NZ ASP 122.A OD2 no hydrogen 2.591 N/A ALA 214.A N GLU 210.A O no hydrogen 2.942 N/A LEU 215.A N GLU 211.A O no hydrogen 2.921 N/A VAL 216.A N SER 212.A O no hydrogen 3.038 N/A ARG 217.A N LYS 213.A O no hydrogen 2.787 N/A ARG 217.A NH1 PHE 95.A O no hydrogen 3.207 N/A ARG 217.A NH1 ILE 96.A O no hydrogen 3.141 N/A ARG 217.A NH2 LEU 120.A O no hydrogen 2.802 N/A CYS 218.A N ALA 214.A O no hydrogen 3.089 N/A CYS 218.A SG ALA 214.A O no hydrogen 3.549 N/A CYS 218.A SG LEU 215.A O no hydrogen 3.482 N/A MET 220.A N ARG 217.A O no hydrogen 3.143 N/A LYS 221.A NZ GLN 97.A OE1 no hydrogen 2.961 N/A LYS 221.A NZ GLU 225.A OE2 no hydrogen 3.367 N/A LEU 224.A N MET 220.A O no hydrogen 2.760 N/A GLU 225.A N LYS 221.A O no hydrogen 2.964 N/A GLN 226.A N MET 222.A O.A no hydrogen 2.954 N/A GLN 226.A N MET 222.A O.B no hydrogen 2.870 N/A ALA 227.A N GLU 223.A O no hydrogen 2.985 N/A ASN 228.A N LEU 224.A O no hydrogen 2.866 N/A ASN 228.A ND2 ARG 89.A O no hydrogen 2.953 N/A GLU 229.A N GLU 225.A O no hydrogen 3.052 N/A ARG 230.A N GLN 226.A O no hydrogen 2.963 N/A GLU 231.A N ALA 227.A O no hydrogen 2.869 N/A CYS 232.A N ASN 228.A O no hydrogen 2.954 N/A CYS 232.A SG ALA 85.A O no hydrogen 3.518 N/A CYS 232.A SG ASN 228.A O no hydrogen 3.441 N/A CYS 232.A SG ASN 228.A OD1 no hydrogen 3.621 N/A GLU 233.A N GLU 229.A O no hydrogen 3.006 N/A VAL 234.A N ARG 230.A O no hydrogen 3.142 N/A LEU 235.A N GLU 231.A O no hydrogen 3.030 N/A LYS 236.A N CYS 232.A O no hydrogen 2.996 N/A LYS 236.A NZ GLU 233.A OE2 no hydrogen 3.156 N/A LYS 237.A N GLU 233.A O no hydrogen 3.336 N/A ILE 238.A N VAL 234.A O no hydrogen 3.002 N/A TRP 239.A N LEU 235.A O no hydrogen 2.762 N/A GLY 240.A N LYS 236.A O no hydrogen 2.932 N/A SER 241.A N ILE 238.A O no hydrogen 3.273 N/A SER 241.A OG ILE 238.A O no hydrogen 2.961 N/A GLY 244.A N SER 241.A O no hydrogen 3.106 N/A ASP 246.A N GLN 243.A O no hydrogen 3.169 N/A LEU 249.A N MET 245.A O no hydrogen 2.922 N/A LYS 250.A N ASP 246.A O no hydrogen 3.021 N/A TYR 251.A N SER 247.A O no hydrogen 3.007 N/A LEU 252.A N MET 248.A O no hydrogen 2.868 N/A GLN 253.A N LEU 249.A O no hydrogen 2.818 N/A GLN 253.A NE2 GLN 253.A O no hydrogen 3.436 N/A GLN 253.A NE2 ASP 257.A OD1 no hydrogen 3.014 N/A GLN 253.A NE2 ASP 257.A OD2 no hydrogen 3.518 N/A ARG 254.A N LYS 250.A O no hydrogen 3.006 N/A LYS 255.A N TYR 251.A O no hydrogen 2.947 N/A ILE 256.A N LEU 252.A O no hydrogen 2.923 N/A ASP 257.A N GLN 253.A O no hydrogen 2.994 N/A GLU 258.A N ARG 254.A O no hydrogen 2.968 N/A