Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b0g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.648 N/A ASP 7.A N ALA 4.A O no hydrogen 2.887 N/A PHE 8.A N LEU 5.A O no hydrogen 3.151 N/A GLU 9.A N ARG 26.A O no hydrogen 2.760 N/A GLY 11.A N LEU 24.A O no hydrogen 2.758 N/A ARG 12.A NH2 TYR 83.A OH no hydrogen 3.524 N/A LEU 14.A N VAL 22.A O no hydrogen 2.707 N/A GLY 17.A N GLY 20.A O no hydrogen 2.437 N/A ASN 21.A N VAL 38.A O no hydrogen 2.898 N/A VAL 22.A N GLY 15.A O no hydrogen 3.187 N/A TYR 23.A N LEU 36.A O no hydrogen 2.855 N/A LEU 24.A N ARG 12.A O no hydrogen 2.933 N/A ALA 25.A N LEU 34.A O no hydrogen 2.855 N/A ARG 26.A N GLU 9.A O no hydrogen 2.874 N/A ARG 26.A NE.B LYS 31.A O no hydrogen 3.405 N/A GLU 27.A N PHE 32.A O no hydrogen 3.147 N/A LYS 28.A N ASP 7.A O no hydrogen 2.839 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.694 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.267 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.641 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.928 N/A PHE 32.A N SER 30.A OG no hydrogen 3.225 N/A LEU 34.A N ALA 25.A O no hydrogen 2.897 N/A ALA 35.A N LEU 81.A O no hydrogen 2.928 N/A LEU 36.A N TYR 23.A O no hydrogen 2.865 N/A LYS 37.A N LEU 79.A O no hydrogen 2.833 N/A VAL 38.A N ASN 21.A O no hydrogen 2.700 N/A LEU 39.A N VAL 77.A O no hydrogen 2.809 N/A PHE 40.A N PHE 19.A O no hydrogen 3.332 N/A LYS 41.A N THR 75.A O no hydrogen 2.933 N/A LYS 41.A NZ HIS 72.A ND1 no hydrogen 3.114 N/A LYS 41.A NZ ASP 73.A O no hydrogen 2.913 N/A ALA 42.A N PHE 40.A O no hydrogen 2.976 N/A LEU 49.A N VAL 45.A O no hydrogen 2.865 N/A ARG 50.A N GLU 46.A O no hydrogen 3.303 N/A ARG 51.A N HIS 47.A O no hydrogen 3.351 N/A ARG 51.A N GLN 48.A O no hydrogen 2.857 N/A GLU 52.A N GLN 48.A O no hydrogen 2.957 N/A VAL 53.A N LEU 49.A O no hydrogen 2.833 N/A GLU 54.A N ARG 50.A O no hydrogen 3.033 N/A ILE 55.A N ARG 51.A O no hydrogen 3.033 N/A GLN 56.A N GLU 52.A O no hydrogen 2.822 N/A SER 57.A N VAL 53.A O no hydrogen 3.150 N/A SER 57.A OG VAL 53.A O no hydrogen 3.285 N/A SER 57.A OG GLU 54.A O no hydrogen 3.099 N/A HIS 58.A N ILE 55.A O no hydrogen 3.075 N/A LEU 59.A N GLN 56.A O no hydrogen 3.281 N/A ARG 60.A N TYR 117.A OH no hydrogen 3.056 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 2.961 N/A ASN 63.A ND2 LEU 141.A O no hydrogen 2.821 N/A ILE 64.A N HIS 61.A O no hydrogen 3.008 N/A LEU 65.A N ILE 143.A O no hydrogen 2.839 N/A ARG 66.A N GLU 82.A OE1 no hydrogen 3.153 N/A TYR 68.A N ILE 80.A O no hydrogen 2.706 N/A PHE 71.A N TYR 78.A O no hydrogen 3.073 N/A ASP 73.A N ARG 76.A O no hydrogen 2.957 N/A THR 75.A N ASP 73.A OD1 no hydrogen 2.797 N/A ARG 76.A N ASP 73.A OD1 no hydrogen 2.591 N/A ARG 76.A NH2 ASP 73.A OD2 no hydrogen 3.117 N/A VAL 77.A N LEU 39.A O no hydrogen 2.693 N/A TYR 78.A N PHE 71.A O no hydrogen 2.742 N/A TYR 78.A OH ASP 73.A OD2 no hydrogen 3.156 N/A LEU 79.A N LYS 37.A O no hydrogen 2.711 N/A ILE 80.A N GLY 69.A O no hydrogen 2.843 N/A LEU 81.A N ALA 35.A O no hydrogen 2.776 N/A GLU 82.A N ARG 66.A O no hydrogen 2.862 N/A LEU 86.A N LEU 135.A O no hydrogen 3.131 N/A VAL 89.A N LEU 133.A O no hydrogen 2.636 N/A TYR 90.A N PRO 130.A O no hydrogen 3.344 N/A ARG 91.A N THR 88.A OG1 no hydrogen 2.826 N/A ARG 91.A NH1 GLN 94.A OE1 no hydrogen 3.201 N/A GLU 92.A N THR 88.A O no hydrogen 3.112 N/A LEU 93.A N VAL 89.A O no hydrogen 2.954 N/A GLN 94.A N TYR 90.A O no hydrogen 3.271 N/A LYS 95.A N ARG 91.A O no hydrogen 3.195 N/A LEU 96.A N GLU 92.A O no hydrogen 2.902 N/A PHE 99.A N PHE 178.A O no hydrogen 2.749 N/A GLN 102.A N ASP 100.A OD2 no hydrogen 3.117 N/A ARG 103.A N ASP 100.A OD2 no hydrogen 3.180 N/A ARG 103.A NH1 TYR 107.A OH no hydrogen 3.492 N/A THR 104.A N ASP 100.A O no hydrogen 2.956 N/A THR 104.A OG1 ASP 100.A O no hydrogen 2.911 N/A ALA 105.A N GLU 101.A O no hydrogen 2.901 N/A THR 106.A N GLN 102.A O no hydrogen 3.098 N/A THR 106.A OG1 GLN 102.A O no hydrogen 2.599 N/A TYR 107.A N ARG 103.A O no hydrogen 3.150 N/A TYR 107.A OH GLU 92.A OE1 no hydrogen 2.708 N/A TYR 107.A OH GLU 92.A OE2 no hydrogen 3.319 N/A ILE 108.A N THR 104.A O no hydrogen 3.037 N/A THR 109.A N ALA 105.A O no hydrogen 2.958 N/A THR 109.A OG1 ALA 105.A O no hydrogen 3.156 N/A THR 109.A OG1 SER 243.A OG no hydrogen 3.167 N/A GLU 110.A N THR 106.A O no hydrogen 2.993 N/A LEU 111.A N TYR 107.A O no hydrogen 2.781 N/A ALA 112.A N ILE 108.A O no hydrogen 2.775 N/A ASN 113.A N THR 109.A O no hydrogen 2.759 N/A ASN 113.A ND2 PRO 246.A O no hydrogen 3.321 N/A ALA 114.A N GLU 110.A O no hydrogen 3.122 N/A LEU 115.A N LEU 111.A O no hydrogen 3.008 N/A SER 116.A N ALA 112.A O no hydrogen 2.884 N/A SER 116.A OG ALA 112.A O no hydrogen 3.134 N/A SER 116.A OG ASN 113.A O no hydrogen 2.821 N/A TYR 117.A N ASN 113.A O no hydrogen 2.856 N/A CYS 118.A N ALA 114.A O no hydrogen 2.983 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.550 N/A HIS 119.A N LEU 115.A O no hydrogen 2.896 N/A SER 120.A N SER 116.A O no hydrogen 2.957 N/A LYS 121.A N CYS 118.A O no hydrogen 2.886 N/A LYS 121.A NZ HIS 58.A O no hydrogen 3.204 N/A LYS 121.A NZ TYR 117.A OH no hydrogen 2.824 N/A ARG 122.A N HIS 119.A O no hydrogen 3.097 N/A VAL 123.A N CYS 118.A O no hydrogen 3.092 N/A ILE 124.A N SER 149.A O no hydrogen 3.066 N/A HIS 125.A ND1 ARG 126.A O no hydrogen 2.893 N/A ARG 126.A N GLY 147.A O no hydrogen 2.755 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.290 N/A ASN 132.A N LYS 129.A O no hydrogen 3.007 N/A LEU 133.A N PRO 130.A O no hydrogen 2.894 N/A LEU 134.A N LYS 142.A O no hydrogen 2.975 N/A LEU 135.A N GLY 87.A O no hydrogen 2.919 N/A GLY 136.A N GLU 140.A O no hydrogen 2.931 N/A GLY 139.A N GLY 136.A O no hydrogen 2.981 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.477 N/A LEU 141.A N GLU 110.A OE1 no hydrogen 3.127 N/A LYS 142.A N LEU 134.A O no hydrogen 2.708 N/A LYS 142.A NZ PRO 62.A O no hydrogen 2.448 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 3.276 N/A ILE 143.A N ASN 63.A O no hydrogen 2.832 N/A ALA 144.A N ASN 132.A O no hydrogen 3.173 N/A SER 149.A N ILE 124.A O no hydrogen 2.642 N/A TYR 154.A N THR 151.A O no hydrogen 3.244 N/A TYR 154.A OH GLU 177.A OE1 no hydrogen 2.952 N/A TYR 154.A OH GLU 177.A OE2 no hydrogen 2.375 N/A LEU 155.A N LEU 152.A O no hydrogen 2.903 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.764 N/A MET 159.A N PRO 156.A O no hydrogen 3.001 N/A ILE 160.A N PRO 157.A O no hydrogen 3.161 N/A GLU 164.A N HIS 162.A O no hydrogen 2.953 N/A LYS 165.A N ASP 163.A O no hydrogen 3.202 N/A LYS 165.A NZ ARG 227.A O no hydrogen 3.107 N/A LYS 165.A NZ PRO 228.A O no hydrogen 3.287 N/A TRP 169.A N LYS 165.A O no hydrogen 3.437 N/A SER 170.A N VAL 166.A O no hydrogen 3.140 N/A SER 170.A OG VAL 166.A O no hydrogen 3.395 N/A LEU 171.A N ASP 167.A O no hydrogen 3.100 N/A GLY 172.A N LEU 168.A O no hydrogen 3.401 N/A VAL 173.A N TRP 169.A O no hydrogen 3.152 N/A LEU 174.A N SER 170.A O no hydrogen 3.030 N/A CYS 175.A N LEU 171.A O no hydrogen 2.908 N/A TYR 176.A N GLY 172.A O no hydrogen 3.141 N/A TYR 176.A OH THR 203.A O no hydrogen 2.959 N/A GLU 177.A N VAL 173.A O no hydrogen 2.734 N/A PHE 178.A N LEU 174.A O no hydrogen 2.699 N/A LEU 179.A N CYS 175.A O no hydrogen 3.201 N/A VAL 180.A N TYR 176.A O no hydrogen 2.906 N/A GLY 181.A N GLU 177.A O no hydrogen 2.700 N/A GLU 186.A N PRO 183.A O no hydrogen 3.411 N/A THR 189.A OG1 GLN 191.A OE1 no hydrogen 3.107 N/A GLN 191.A N THR 189.A OG1 no hydrogen 2.703 N/A GLU 192.A N THR 189.A OG1 no hydrogen 3.359 N/A THR 193.A N THR 189.A O no hydrogen 2.982 N/A THR 193.A OG1 THR 189.A O no hydrogen 2.585 N/A TYR 194.A N TYR 190.A O no hydrogen 2.931 N/A TYR 194.A OH ILE 160.A O no hydrogen 2.855 N/A LYS 195.A N GLN 191.A O no hydrogen 3.253 N/A ARG 196.A N GLU 192.A O no hydrogen 3.069 N/A ILE 197.A N THR 193.A O no hydrogen 3.197 N/A SER 198.A N TYR 194.A O no hydrogen 3.006 N/A SER 198.A OG GLU 161.A OE2 no hydrogen 2.664 N/A ARG 199.A N LYS 195.A O no hydrogen 2.654 N/A VAL 200.A N ILE 197.A O no hydrogen 2.973 N/A GLU 201.A N ARG 196.A O no hydrogen 2.792 N/A VAL 208.A N PRO 205.A O no hydrogen 3.047 N/A THR 209.A OG1 GLU 101.A OE2 no hydrogen 2.601 N/A ARG 213.A N THR 209.A O no hydrogen 2.917 N/A ARG 213.A NE VAL 208.A O no hydrogen 2.804 N/A ARG 213.A NH2 ASP 206.A O no hydrogen 3.559 N/A ARG 213.A NH2 VAL 208.A O no hydrogen 3.101 N/A ASP 214.A N GLU 210.A O no hydrogen 2.894 N/A LEU 215.A N GLY 211.A O no hydrogen 3.181 N/A ILE 216.A N ALA 212.A O no hydrogen 2.960 N/A SER 217.A N ARG 213.A O no hydrogen 2.821 N/A SER 217.A OG ARG 213.A O no hydrogen 3.105 N/A ARG 218.A N ASP 214.A O no hydrogen 3.001 N/A ARG 218.A NE ASP 214.A OD1 no hydrogen 3.179 N/A ARG 218.A NE ASP 214.A OD2 no hydrogen 2.944 N/A ARG 218.A NH2 ASP 214.A OD1 no hydrogen 3.207 N/A LEU 219.A N LEU 215.A O no hydrogen 3.132 N/A LEU 219.A N ILE 216.A O no hydrogen 3.260 N/A LEU 220.A N ILE 216.A O no hydrogen 3.084 N/A HIS 222.A NE2 GLU 161.A OE2 no hydrogen 3.013 N/A SER 225.A N ASN 223.A OD1 no hydrogen 3.198 N/A GLN 226.A N ASN 223.A O no hydrogen 3.015 N/A ARG 227.A N PRO 224.A O no hydrogen 3.262 N/A ARG 227.A NE LYS 221.A O no hydrogen 2.840 N/A ARG 227.A NH1 GLU 158.A OE2 no hydrogen 2.939 N/A ARG 227.A NH1 LYS 165.A O no hydrogen 2.746 N/A ARG 227.A NH2 GLU 158.A OE1 no hydrogen 2.923 N/A ARG 227.A NH2 GLU 158.A OE2 no hydrogen 3.452 N/A ARG 227.A NH2 LYS 221.A O no hydrogen 3.114 N/A MET 229.A N GLU 232.A OE1 no hydrogen 3.467 N/A GLU 232.A N MET 229.A O no hydrogen 2.895 N/A VAL 233.A N MET 229.A O no hydrogen 3.214 N/A LEU 234.A N LEU 230.A O no hydrogen 3.132 N/A GLU 235.A N ARG 231.A O no hydrogen 3.236 N/A HIS 236.A N VAL 233.A O no hydrogen 2.993 N/A HIS 236.A NE2 ASP 214.A OD2 no hydrogen 2.807 N/A TRP 238.A N HIS 236.A ND1 no hydrogen 3.097 N/A TRP 238.A NE1 GLU 101.A OE2 no hydrogen 3.286 N/A THR 240.A N HIS 236.A O no hydrogen 2.720 N/A ALA 241.A N PRO 237.A O no hydrogen 2.782 N/A ASN 242.A N TRP 238.A O no hydrogen 3.335 N/A ASN 242.A N ILE 239.A O no hydrogen 3.264 N/A ASN 242.A ND2 TRP 238.A O no hydrogen 2.716 N/A SER 243.A N ILE 239.A O no hydrogen 3.022 N/A SER 243.A OG THR 109.A OG1 no hydrogen 3.167 N/A SER 243.A OG LYS 245.A O no hydrogen 2.771 N/A SER 244.A N THR 106.A OG1 no hydrogen 3.247 N/A LYS 245.A N SER 243.A OG no hydrogen 3.122 N/A LYS 245.A NZ SER 244.A OG no hydrogen 3.105 N/A