Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1esq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 167.A OH no hydrogen 3.444 N/A GLN 4.A NE2 ASP 2.A OD1 no hydrogen 3.277 N/A GLN 4.A NE2 ASP 2.A OD2 no hydrogen 3.073 N/A ALA 6.A N ASP 2.A O no hydrogen 3.065 N/A ALA 7.A N ALA 3.A O no hydrogen 3.019 N/A LYS 8.A N GLN 4.A O no hydrogen 3.237 N/A CYS 9.A N SER 5.A O no hydrogen 3.052 N/A CYS 9.A SG SER 5.A O no hydrogen 3.374 N/A LEU 10.A N ALA 6.A O no hydrogen 3.103 N/A THR 11.A N ALA 7.A O no hydrogen 3.209 N/A THR 11.A OG1 ALA 7.A O no hydrogen 3.564 N/A THR 11.A OG1 GLU 243.A OE1 no hydrogen 3.276 N/A ALA 12.A N LYS 8.A O no hydrogen 3.220 N/A VAL 13.A N CYS 9.A O no hydrogen 3.077 N/A ARG 14.A N LEU 10.A O no hydrogen 3.255 N/A ARG 14.A NE LEU 39.A O no hydrogen 3.190 N/A ARG 14.A NH1 VAL 241.A O no hydrogen 2.696 N/A ARG 14.A NH2 LEU 238.A O no hydrogen 3.171 N/A ARG 14.A NH2 VAL 241.A O no hydrogen 2.737 N/A ARG 15.A N THR 11.A O no hydrogen 2.908 N/A HIS 16.A N ALA 12.A O no hydrogen 3.006 N/A SER 17.A N VAL 13.A O no hydrogen 2.741 N/A SER 17.A OG GLY 40.A O no hydrogen 3.246 N/A SER 17.A OG SER 42.A OG no hydrogen 2.964 N/A VAL 20.A N SER 42.A O no hydrogen 2.579 N/A HIS 21.A N ALA 61.A O no hydrogen 2.832 N/A HIS 21.A NE2 ALA 46.A O no hydrogen 3.134 N/A SER 22.A N VAL 44.A O no hydrogen 2.921 N/A SER 22.A OG SER 188.A OG no hydrogen 3.174 N/A ILE 23.A N VAL 63.A O no hydrogen 3.111 N/A ASN 25.A N THR 24.A OG1 no hydrogen 2.642 N/A ASN 25.A ND2 ASN 65.A OD1 no hydrogen 2.980 N/A ASN 26.A N THR 68.A OG1 no hydrogen 3.201 N/A VAL 27.A N ASN 25.A OD1 no hydrogen 2.746 N/A VAL 28.A N ASN 25.A O no hydrogen 3.368 N/A THR 32.A N VAL 28.A O no hydrogen 2.851 N/A THR 32.A OG1 VAL 28.A O no hydrogen 2.734 N/A ALA 33.A N THR 29.A O no hydrogen 3.023 N/A ASN 34.A N ASN 30.A O no hydrogen 2.926 N/A GLY 35.A N PHE 31.A O no hydrogen 2.779 N/A LEU 36.A N THR 32.A O no hydrogen 2.995 N/A LEU 37.A N ALA 33.A O no hydrogen 2.925 N/A ALA 38.A N ASN 34.A O no hydrogen 2.986 N/A LEU 39.A N GLY 35.A O no hydrogen 2.905 N/A GLY 40.A N LEU 36.A O no hydrogen 2.970 N/A ALA 41.A N LEU 36.A O no hydrogen 2.789 N/A SER 42.A N PRO 18.A O no hydrogen 2.836 N/A SER 42.A OG SER 17.A O no hydrogen 3.214 N/A SER 42.A OG SER 17.A OG no hydrogen 2.964 N/A VAL 44.A N VAL 20.A O no hydrogen 2.956 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.868 N/A GLU 51.A N ALA 48.A O no hydrogen 2.968 N/A VAL 52.A N ALA 48.A O no hydrogen 3.094 N/A MET 55.A N GLU 51.A O no hydrogen 2.775 N/A ALA 56.A N VAL 52.A O no hydrogen 2.898 N/A LYS 57.A N ALA 53.A O no hydrogen 3.381 N/A LYS 57.A NZ ASP 54.A O no hydrogen 3.359 N/A ALA 59.A N ALA 56.A O no hydrogen 3.212 N/A GLY 60.A N LEU 19.A O no hydrogen 2.986 N/A ALA 61.A N LEU 19.A O no hydrogen 3.361 N/A LEU 62.A N PRO 90.A O no hydrogen 2.879 N/A VAL 63.A N HIS 21.A O no hydrogen 2.864 N/A LEU 64.A N ILE 92.A O no hydrogen 2.790 N/A ASN 65.A N ILE 23.A O no hydrogen 2.964 N/A ASN 65.A ND2 SER 184.A OG no hydrogen 3.029 N/A ILE 66.A N ASP 94.A O no hydrogen 3.468 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.824 N/A LEU 69.A N ILE 66.A O no hydrogen 2.940 N/A SER 70.A N SER 73.A OG no hydrogen 3.083 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.516 N/A SER 73.A N SER 70.A OG no hydrogen 2.844 N/A SER 73.A OG SER 70.A O no hydrogen 3.201 N/A VAL 74.A N SER 70.A O no hydrogen 2.883 N/A GLU 75.A N LYS 71.A O no hydrogen 2.980 N/A ALA 76.A N GLU 72.A O no hydrogen 2.967 N/A MET 77.A N SER 73.A O no hydrogen 2.898 N/A ILE 78.A N VAL 74.A O no hydrogen 3.302 N/A ILE 79.A N GLU 75.A O no hydrogen 3.212 N/A ALA 80.A N ALA 76.A O no hydrogen 2.814 N/A GLY 81.A N MET 77.A O no hydrogen 2.690 N/A LYS 82.A N ILE 78.A O no hydrogen 2.859 N/A LYS 82.A NZ GLU 114.A O no hydrogen 2.948 N/A LYS 82.A NZ GLU 114.A OE2 no hydrogen 2.933 N/A SER 83.A N ILE 79.A O no hydrogen 3.026 N/A SER 83.A OG ALA 53.A O no hydrogen 2.615 N/A ALA 84.A N ALA 80.A O no hydrogen 2.868 N/A ASN 85.A N GLY 81.A O no hydrogen 2.886 N/A GLU 86.A N LYS 82.A O no hydrogen 3.053 N/A HIS 87.A N ALA 84.A O no hydrogen 2.933 N/A HIS 87.A ND1 SER 83.A O no hydrogen 2.943 N/A GLY 88.A N ASN 85.A O no hydrogen 3.217 N/A VAL 89.A N ALA 84.A O no hydrogen 2.850 N/A ILE 92.A N LEU 62.A O no hydrogen 2.891 N/A LEU 93.A N ALA 119.A O no hydrogen 2.976 N/A ASP 94.A N LEU 64.A O no hydrogen 2.739 N/A VAL 96.A N ASP 94.A O no hydrogen 2.841 N/A GLY 97.A N GLU 126.A OE2 no hydrogen 2.573 N/A ALA 98.A N PRO 95.A O no hydrogen 3.107 N/A ALA 100.A N GLY 97.A O no hydrogen 2.853 N/A ARG 104.A NH1 GLY 67.A O no hydrogen 2.746 N/A ARG 104.A NH1 VAL 96.A O no hydrogen 3.485 N/A ARG 104.A NH2 GLY 67.A O no hydrogen 2.758 N/A THR 105.A N THR 101.A O no hydrogen 3.299 N/A GLU 106.A N PRO 102.A O no hydrogen 2.852 N/A SER 107.A N PHE 103.A O no hydrogen 2.865 N/A SER 107.A OG PHE 103.A O no hydrogen 2.818 N/A ALA 108.A N ARG 104.A O no hydrogen 2.901 N/A ARG 109.A N THR 105.A O no hydrogen 3.116 N/A ARG 109.A NE THR 130.A O no hydrogen 3.068 N/A ARG 109.A NH2 HIS 129.A O no hydrogen 2.962 N/A ASP 110.A N GLU 106.A O no hydrogen 2.769 N/A ILE 111.A N SER 107.A O no hydrogen 3.056 N/A ILE 112.A N ALA 108.A O no hydrogen 3.055 N/A ARG 113.A N ARG 109.A O no hydrogen 2.875 N/A ARG 113.A N ASP 110.A O no hydrogen 3.246 N/A GLU 114.A N ASP 110.A O no hydrogen 3.057 N/A VAL 115.A N ILE 111.A O no hydrogen 2.836 N/A ALA 118.A N VAL 91.A O no hydrogen 2.605 N/A ILE 120.A N VAL 150.A O no hydrogen 2.810 N/A ARG 121.A N LEU 93.A O no hydrogen 2.846 N/A ARG 121.A NE THR 187.A OG1 no hydrogen 3.010 N/A ARG 121.A NH1 THR 154.A OG1 no hydrogen 2.688 N/A ARG 121.A NH2 ASP 94.A OD2 no hydrogen 3.076 N/A ARG 121.A NH2 THR 187.A OG1 no hydrogen 3.325 N/A GLY 122.A N ALA 152.A O no hydrogen 3.172 N/A ASN 123.A N GLU 126.A OE1 no hydrogen 3.109 N/A GLU 126.A N ASN 123.A OD1 no hydrogen 2.756 N/A ILE 127.A N ASN 123.A O no hydrogen 3.123 N/A ALA 128.A N ALA 124.A O no hydrogen 2.924 N/A HIS 129.A N ALA 125.A O no hydrogen 2.907 N/A HIS 129.A ND1 ALA 125.A O no hydrogen 3.097 N/A THR 130.A N GLU 126.A O no hydrogen 3.017 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.681 N/A VAL 131.A N ILE 127.A O no hydrogen 2.861 N/A GLY 132.A N ALA 128.A O no hydrogen 2.556 N/A VAL 133.A N VAL 131.A O no hydrogen 2.760 N/A ALA 140.A N ILE 136.A O no hydrogen 2.912 N/A GLN 141.A N ILE 137.A O no hydrogen 3.346 N/A GLN 142.A N ARG 138.A O no hydrogen 3.140 N/A ALA 143.A N LEU 139.A O no hydrogen 2.978 N/A ALA 144.A N ALA 140.A O no hydrogen 2.657 N/A GLN 145.A N GLN 141.A O no hydrogen 2.674 N/A LYS 146.A N GLN 142.A O no hydrogen 2.812 N/A LEU 147.A N ALA 143.A O no hydrogen 2.930 N/A THR 149.A N ALA 144.A O no hydrogen 3.174 N/A THR 149.A OG1 LEU 117.A O no hydrogen 3.013 N/A VAL 150.A N THR 149.A OG1 no hydrogen 2.584 N/A ILE 151.A N ALA 161.A O no hydrogen 3.088 N/A ALA 152.A N ILE 120.A O no hydrogen 2.812 N/A ILE 153.A N VAL 159.A O no hydrogen 2.998 N/A THR 154.A N GLY 122.A O no hydrogen 3.243 N/A GLY 155.A N ASP 158.A OD1 no hydrogen 3.390 N/A ASP 158.A N LEU 169.A O no hydrogen 2.952 N/A VAL 159.A N ILE 153.A O no hydrogen 2.919 N/A ILE 160.A N TYR 167.A O no hydrogen 2.761 N/A ALA 161.A N ILE 151.A O no hydrogen 3.154 N/A ASP 162.A N HIS 165.A O no hydrogen 2.709 N/A SER 164.A N ASP 162.A OD1 no hydrogen 3.073 N/A HIS 165.A N ASP 162.A OD1 no hydrogen 2.476 N/A TYR 167.A N ILE 160.A O no hydrogen 2.559 N/A THR 168.A N GLU 253.A O no hydrogen 2.901 N/A THR 168.A OG1 HIS 170.A NE2 no hydrogen 2.900 N/A LEU 169.A N ASP 158.A O no hydrogen 2.725 N/A HIS 170.A N THR 251.A O no hydrogen 3.261 N/A HIS 170.A NE2 THR 168.A OG1 no hydrogen 2.900 N/A ASN 171.A ND2 GLN 216.A OE1 no hydrogen 2.986 N/A ASN 171.A ND2 TRP 249.A O no hydrogen 3.117 N/A LEU 176.A N HIS 173.A O no hydrogen 3.023 N/A THR 177.A N LYS 174.A O no hydrogen 3.058 N/A THR 177.A OG1 LYS 174.A O no hydrogen 2.733 N/A LYS 178.A N LEU 175.A O no hydrogen 2.802 N/A ALA 182.A N VAL 179.A O no hydrogen 3.212 N/A LEU 185.A N GLY 181.A O no hydrogen 2.691 N/A LEU 186.A N ALA 182.A O no hydrogen 3.154 N/A THR 187.A N GLY 183.A O no hydrogen 2.733 N/A THR 187.A OG1 ASP 94.A OD2 no hydrogen 2.562 N/A THR 187.A OG1 GLY 183.A O no hydrogen 2.972 N/A SER 188.A N SER 184.A O no hydrogen 3.030 N/A SER 188.A OG SER 22.A OG no hydrogen 3.174 N/A SER 188.A OG SER 184.A O no hydrogen 3.314 N/A VAL 189.A N LEU 185.A O no hydrogen 2.737 N/A VAL 190.A N LEU 186.A O no hydrogen 2.886 N/A GLY 191.A N THR 187.A O no hydrogen 3.189 N/A ALA 192.A N SER 188.A O no hydrogen 3.119 N/A PHE 193.A N VAL 189.A O no hydrogen 3.060 N/A CYS 194.A N VAL 190.A O no hydrogen 2.936 N/A CYS 194.A SG VAL 190.A O no hydrogen 3.296 N/A ALA 195.A N GLY 191.A O no hydrogen 3.043 N/A VAL 196.A N PHE 193.A O no hydrogen 3.186 N/A GLU 197.A N PHE 193.A O no hydrogen 2.897 N/A ASN 199.A N GLU 197.A OE1 no hydrogen 3.370 N/A ALA 203.A N ASN 199.A O no hydrogen 2.796 N/A ALA 204.A N PRO 200.A O no hydrogen 2.864 N/A ILE 205.A N LEU 201.A O no hydrogen 3.028 N/A ALA 206.A N PHE 202.A O no hydrogen 3.009 N/A ALA 207.A N ALA 203.A O no hydrogen 2.811 N/A ILE 208.A N ALA 204.A O no hydrogen 2.813 N/A SER 209.A N ILE 205.A O no hydrogen 2.879 N/A SER 209.A OG ILE 205.A O no hydrogen 2.596 N/A SER 210.A N ALA 206.A O no hydrogen 2.877 N/A SER 210.A OG ALA 206.A O no hydrogen 2.967 N/A TYR 211.A N ALA 207.A O no hydrogen 3.047 N/A TYR 211.A OH ALA 182.A O no hydrogen 2.907 N/A GLY 212.A N ILE 208.A O no hydrogen 2.899 N/A VAL 213.A N SER 209.A O no hydrogen 2.979 N/A ALA 214.A N SER 210.A O no hydrogen 3.058 N/A ALA 215.A N TYR 211.A O no hydrogen 2.934 N/A GLN 216.A N GLY 212.A O no hydrogen 2.942 N/A LEU 217.A N VAL 213.A O no hydrogen 3.039 N/A ALA 218.A N ALA 214.A O no hydrogen 3.000 N/A ALA 219.A N ALA 215.A O no hydrogen 2.776 N/A GLN 220.A N GLN 216.A O no hydrogen 2.923 N/A GLN 221.A N LEU 217.A O no hydrogen 3.212 N/A GLN 221.A NE2 GLN 221.A O no hydrogen 3.694 N/A THR 222.A N ALA 218.A O no hydrogen 2.666 N/A THR 222.A OG1 ALA 218.A O no hydrogen 2.745 N/A ALA 223.A N GLN 220.A O no hydrogen 3.003 N/A LYS 225.A N THR 222.A O no hydrogen 3.028 N/A PHE 230.A N GLY 226.A O no hydrogen 3.052 N/A GLN 231.A N PRO 227.A O no hydrogen 3.033 N/A ILE 232.A N GLY 228.A O no hydrogen 3.186 N/A GLU 233.A N SER 229.A O no hydrogen 2.733 N/A LEU 234.A N PHE 230.A O no hydrogen 2.813 N/A LEU 235.A N GLN 231.A O no hydrogen 3.300 N/A ASN 236.A N ILE 232.A O no hydrogen 3.190 N/A ASN 236.A ND2 GLU 233.A OE1 no hydrogen 3.487 N/A LYS 237.A N GLU 233.A O no hydrogen 2.843 N/A LEU 238.A N LEU 234.A O no hydrogen 2.943 N/A SER 239.A N ASN 236.A O no hydrogen 2.981 N/A THR 240.A N ASN 236.A O no hydrogen 2.879 N/A THR 240.A OG1 ASN 236.A O no hydrogen 3.050 N/A VAL 241.A N LYS 237.A O no hydrogen 2.662 N/A THR 242.A N ASP 245.A OD2 no hydrogen 3.077 N/A ASP 245.A N THR 242.A OG1 no hydrogen 2.989 N/A VAL 246.A N THR 242.A O no hydrogen 3.266 N/A GLN 247.A N GLU 243.A O no hydrogen 3.225 N/A GLU 248.A N GLN 244.A O no hydrogen 3.048 N/A TRP 249.A N VAL 246.A O no hydrogen 3.172 N/A ALA 250.A N VAL 246.A O no hydrogen 2.797 N/A THR 251.A N ASN 171.A OD1 no hydrogen 2.904 N/A THR 251.A OG1 TRP 249.A O no hydrogen 3.272 N/A GLU 253.A N THR 168.A O no hydrogen 3.082 N/A VAL 255.A N VAL 166.A O no hydrogen 2.739 N/A