Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 100.A OE1 no hydrogen 2.780 N/A SER 6.A N ASP 4.A OD2 no hydrogen 3.297 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 2.426 N/A ALA 7.A N ASP 4.A O no hydrogen 3.189 N/A LEU 8.A N LEU 5.A O no hydrogen 3.386 N/A ASN 9.A ND2 GLU 11.A OE2 no hydrogen 2.774 N/A LEU 12.A N ASN 9.A O no hydrogen 3.234 N/A LEU 12.A N ASN 9.A OD1 no hydrogen 2.960 N/A VAL 13.A N ASN 9.A O no hydrogen 3.045 N/A GLN 14.A N PRO 10.A O no hydrogen 3.079 N/A ALA 15.A N GLU 11.A O no hydrogen 3.093 N/A VAL 16.A N LEU 12.A O no hydrogen 2.929 N/A VAL 16.A N VAL 13.A O no hydrogen 3.296 N/A GLN 17.A NE2 VAL 13.A O no hydrogen 2.910 N/A VAL 19.A N VAL 16.A O no hydrogen 2.810 N/A VAL 20.A N GLN 17.A O no hydrogen 3.287 N/A ILE 21.A N ILE 95.A O no hydrogen 2.854 N/A SER 25.A N GLY 22.A O no hydrogen 2.921 N/A SER 25.A OG GLY 22.A O no hydrogen 3.518 N/A LEU 26.A N GLY 22.A O no hydrogen 2.804 N/A ILE 27.A N THR 46.A O no hydrogen 2.840 N/A HIS 29.A N HIS 44.A O no hydrogen 2.905 N/A HIS 29.A NE2 THR 46.A OG1 no hydrogen 3.173 N/A GLU 32.A N HIS 29.A O no hydrogen 3.096 N/A ILE 34.A N VAL 42.A O no hydrogen 2.708 N/A HIS 38.A NE2 ASN 159.A OD1 no hydrogen 2.783 N/A GLY 40.A N GLY 37.A O no hydrogen 3.355 N/A CYS 41.A SG TYR 43.A OH no hydrogen 3.044 N/A CYS 41.A SG ASN 63.A OD1 no hydrogen 3.910 N/A TYR 43.A N VAL 59.A O no hydrogen 2.712 N/A HIS 44.A N GLU 32.A O no hydrogen 3.011 N/A HIS 44.A ND1 HIS 56.A NE2 no hydrogen 2.829 N/A GLY 45.A N CYS 57.A O no hydrogen 2.946 N/A THR 46.A N ILE 27.A O no hydrogen 2.892 N/A THR 46.A OG1 HIS 29.A NE2 no hydrogen 3.173 N/A LEU 47.A N ILE 55.A O no hydrogen 2.858 N/A LEU 48.A N SER 25.A O no hydrogen 2.786 N/A ASP 49.A N LYS 53.A O no hydrogen 3.249 N/A ASP 51.A N ASP 49.A OD1 no hydrogen 3.231 N/A GLY 52.A N ASP 49.A O no hydrogen 3.265 N/A LYS 53.A N ASP 49.A OD1 no hydrogen 3.163 N/A ILE 55.A N LEU 47.A O no hydrogen 2.706 N/A HIS 56.A NE2 HIS 44.A ND1 no hydrogen 2.829 N/A CYS 57.A N GLY 45.A O no hydrogen 3.074 N/A ALA 58.A N LEU 107.A O no hydrogen 2.763 N/A VAL 59.A N TYR 43.A O no hydrogen 2.810 N/A LYS 60.A N VAL 105.A O no hydrogen 2.883 N/A SER 61.A N CYS 41.A O no hydrogen 2.820 N/A LEU 62.A N PRO 103.A O no hydrogen 2.977 N/A ASN 63.A N SER 61.A O no hydrogen 3.013 N/A ASN 63.A ND2 SER 102.A OG no hydrogen 3.137 N/A ILE 65.A N LEU 62.A O no hydrogen 3.283 N/A THR 66.A N GLU 70.A OE2 no hydrogen 2.813 N/A THR 66.A OG1 GLU 70.A OE2 no hydrogen 3.187 N/A ASP 67.A N GLU 70.A OE2 no hydrogen 3.313 N/A GLU 70.A N ASP 67.A OD2 no hydrogen 2.977 N/A VAL 71.A N ASP 67.A O no hydrogen 3.068 N/A SER 72.A N ILE 68.A O no hydrogen 2.886 N/A SER 72.A OG ILE 68.A O no hydrogen 2.629 N/A GLN 73.A N GLY 69.A O no hydrogen 2.924 N/A GLN 73.A NE2 GLY 69.A O no hydrogen 3.574 N/A PHE 74.A N GLU 70.A O no hydrogen 2.975 N/A LEU 75.A N VAL 71.A O no hydrogen 2.902 N/A THR 76.A N SER 72.A O no hydrogen 3.274 N/A GLU 77.A N GLN 73.A O no hydrogen 3.005 N/A GLY 78.A N PHE 74.A O no hydrogen 2.952 N/A ILE 79.A N LEU 75.A O no hydrogen 2.867 N/A ILE 80.A N THR 76.A O no hydrogen 2.932 N/A MET 81.A N GLU 77.A O no hydrogen 3.184 N/A LYS 82.A N GLY 78.A O no hydrogen 3.124 N/A ASP 83.A N ILE 80.A O no hydrogen 3.342 N/A PHE 84.A N MET 81.A O no hydrogen 3.076 N/A SER 85.A N TYR 144.A OH no hydrogen 2.855 N/A ASN 88.A N HIS 86.A ND1 no hydrogen 3.032 N/A ASN 88.A ND2 GLN 137.A OE1 no hydrogen 3.144 N/A ASN 88.A ND2 VAL 168.A O no hydrogen 2.981 N/A VAL 89.A N HIS 86.A O no hydrogen 3.097 N/A LEU 90.A N VAL 170.A O no hydrogen 2.930 N/A LEU 93.A N VAL 106.A O no hydrogen 2.726 N/A GLY 94.A N VAL 106.A O no hydrogen 3.381 N/A ILE 95.A N VAL 19.A O no hydrogen 2.965 N/A CYS 96.A N LEU 104.A O no hydrogen 2.927 N/A CYS 96.A SG ILE 21.A O no hydrogen 3.372 N/A ARG 98.A NE SER 102.A O no hydrogen 2.840 N/A ARG 98.A NH2 SER 102.A O no hydrogen 3.098 N/A GLY 101.A N VAL 1.A O no hydrogen 2.756 N/A LEU 104.A N CYS 96.A O no hydrogen 3.083 N/A VAL 105.A N LYS 60.A O no hydrogen 2.846 N/A VAL 106.A N GLY 94.A O no hydrogen 2.833 N/A LEU 107.A N ALA 58.A O no hydrogen 2.967 N/A TYR 109.A N HIS 56.A O no hydrogen 3.288 N/A HIS 112.A N LEU 162.A O no hydrogen 3.007 N/A GLY 113.A N MET 110.A O no hydrogen 2.965 N/A LEU 115.A N CYS 160.A O no hydrogen 2.798 N/A ASN 117.A N ASP 114.A OD2 no hydrogen 2.933 N/A ASN 117.A ND2 ASP 114.A OD1 no hydrogen 2.811 N/A PHE 118.A N ASP 114.A O no hydrogen 3.137 N/A ILE 119.A N LEU 115.A O no hydrogen 3.076 N/A ARG 120.A N ARG 116.A O no hydrogen 3.043 N/A ARG 120.A NH2 GLY 209.A O no hydrogen 2.957 N/A ASN 121.A N ASN 117.A O no hydrogen 3.192 N/A THR 123.A N ASN 121.A OD1 no hydrogen 2.988 N/A THR 123.A OG1 ASN 121.A OD1 no hydrogen 2.695 N/A HIS 124.A N ASN 121.A O no hydrogen 2.960 N/A HIS 124.A ND1 PHE 118.A O no hydrogen 2.663 N/A ASN 125.A N TYR 278.A OH no hydrogen 3.219 N/A THR 127.A N ASP 130.A OD2 no hydrogen 3.071 N/A THR 127.A OG1 ASP 130.A OD2 no hydrogen 3.264 N/A THR 127.A OG1 GLY 275.A O no hydrogen 2.658 N/A LYS 129.A NZ PHE 270.A O no hydrogen 2.630 N/A LYS 129.A NZ PHE 273.A O no hydrogen 2.814 N/A ASP 130.A N THR 127.A OG1 no hydrogen 3.087 N/A LEU 131.A N THR 127.A O no hydrogen 3.102 N/A ILE 132.A N VAL 128.A O no hydrogen 2.941 N/A GLY 133.A N LYS 129.A O no hydrogen 2.725 N/A PHE 134.A N ASP 130.A O no hydrogen 2.908 N/A GLY 135.A N LEU 131.A O no hydrogen 3.035 N/A LEU 136.A N ILE 132.A O no hydrogen 2.775 N/A GLN 137.A N GLY 133.A O no hydrogen 3.069 N/A GLN 137.A NE2 PHE 166.A O no hydrogen 3.399 N/A VAL 138.A N PHE 134.A O no hydrogen 3.141 N/A ALA 139.A N GLY 135.A O no hydrogen 3.040 N/A LYS 140.A N LEU 136.A O no hydrogen 3.106 N/A GLY 141.A N GLN 137.A O no hydrogen 3.148 N/A MET 142.A N VAL 138.A O no hydrogen 2.914 N/A LYS 143.A N ALA 139.A O no hydrogen 2.751 N/A TYR 144.A N LYS 140.A O no hydrogen 3.090 N/A LEU 145.A N GLY 141.A O no hydrogen 3.094 N/A ALA 146.A N MET 142.A O no hydrogen 2.907 N/A SER 147.A N LYS 143.A O no hydrogen 2.979 N/A SER 147.A OG TYR 144.A O no hydrogen 2.525 N/A LYS 148.A N TYR 144.A O no hydrogen 3.090 N/A LYS 148.A N LEU 145.A O no hydrogen 3.156 N/A LYS 149.A N ALA 146.A O no hydrogen 2.933 N/A PHE 150.A N LEU 145.A O no hydrogen 2.957 N/A HIS 152.A N ASP 194.A OD2 no hydrogen 2.657 N/A HIS 152.A NE2 ALA 171.A O no hydrogen 2.916 N/A ARG 153.A N ASP 194.A OD1 no hydrogen 3.022 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.099 N/A ALA 157.A N GLU 204.A OE1 no hydrogen 2.996 N/A ARG 158.A NH1 ASP 154.A OD1 no hydrogen 3.508 N/A ASN 159.A N ALA 156.A O no hydrogen 3.055 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.754 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 3.150 N/A CYS 160.A N ALA 157.A O no hydrogen 3.166 N/A CYS 160.A SG ALA 156.A O no hydrogen 3.392 N/A MET 161.A N LYS 169.A O no hydrogen 2.770 N/A LEU 162.A N GLY 113.A O no hydrogen 2.734 N/A ASP 163.A N THR 167.A O no hydrogen 3.155 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.772 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 2.843 N/A PHE 166.A N ASP 163.A O no hydrogen 2.882 N/A THR 167.A N ASP 163.A OD1 no hydrogen 2.967 N/A THR 167.A OG1 ASP 163.A OD1 no hydrogen 3.503 N/A THR 167.A OG1 HIS 280.A ND1 no hydrogen 2.914 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 2.901 N/A LYS 169.A N MET 161.A O no hydrogen 2.714 N/A LYS 169.A NZ PRO 87.A O no hydrogen 2.897 N/A VAL 170.A N ASN 88.A O no hydrogen 2.777 N/A ALA 171.A N ASN 159.A O no hydrogen 3.066 N/A LYS 177.A NZ PRO 212.A O no hydrogen 3.478 N/A LYS 177.A NZ TYR 213.A O no hydrogen 2.774 N/A LYS 177.A NZ VAL 216.A O no hydrogen 2.952 N/A TRP 178.A N PRO 175.A O no hydrogen 3.045 N/A TRP 178.A NE1 GLU 204.A OE1 no hydrogen 3.076 N/A MET 179.A N VAL 176.A O no hydrogen 3.094 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.776 N/A SER 183.A N ALA 180.A O no hydrogen 3.108 N/A SER 183.A OG LYS 188.A O no hydrogen 2.723 N/A LEU 184.A N ALA 180.A O no hydrogen 3.148 N/A THR 186.A N GLU 182.A O no hydrogen 2.989 N/A THR 190.A N SER 193.A OG no hydrogen 2.687 N/A LYS 192.A NZ ARG 256.A O no hydrogen 2.815 N/A SER 193.A N THR 190.A O no hydrogen 3.218 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.254 N/A SER 193.A OG THR 190.A O no hydrogen 2.648 N/A ASP 194.A N THR 190.A O no hydrogen 3.144 N/A VAL 195.A N THR 191.A O no hydrogen 3.014 N/A TRP 196.A N LYS 192.A O no hydrogen 3.380 N/A SER 197.A N SER 193.A O no hydrogen 3.206 N/A SER 197.A OG TRP 178.A O no hydrogen 2.652 N/A SER 197.A OG SER 193.A O no hydrogen 3.497 N/A PHE 198.A N ASP 194.A O no hydrogen 2.917 N/A GLY 199.A N VAL 195.A O no hydrogen 3.071 N/A VAL 200.A N TRP 196.A O no hydrogen 3.165 N/A LEU 201.A N SER 197.A O no hydrogen 2.835 N/A LEU 202.A N PHE 198.A O no hydrogen 2.805 N/A TRP 203.A N GLY 199.A O no hydrogen 3.072 N/A TRP 203.A NE1 LEU 232.A O no hydrogen 2.689 N/A GLU 204.A N VAL 200.A O no hydrogen 2.897 N/A LEU 205.A N LEU 201.A O no hydrogen 3.021 N/A MET 206.A N LEU 202.A O no hydrogen 3.144 N/A THR 207.A N TRP 203.A O no hydrogen 3.146 N/A THR 207.A OG1 TRP 203.A O no hydrogen 2.954 N/A THR 207.A OG1 GLU 204.A O no hydrogen 3.027 N/A ARG 208.A N LEU 205.A O no hydrogen 3.010 N/A ARG 208.A NE ILE 119.A O no hydrogen 2.675 N/A ARG 208.A NH1 ILE 119.A O no hydrogen 2.994 N/A ARG 208.A NH1 HIS 124.A O no hydrogen 2.813 N/A ARG 208.A NH2 HIS 124.A O no hydrogen 3.369 N/A GLY 209.A N GLU 204.A O no hydrogen 2.661 N/A ALA 210.A N THR 207.A OG1 no hydrogen 3.234 N/A VAL 216.A N TYR 213.A O no hydrogen 3.211 N/A ASP 220.A N ASN 217.A O no hydrogen 3.054 N/A TYR 224.A N ASP 220.A O no hydrogen 3.165 N/A LEU 225.A N ILE 221.A O no hydrogen 2.983 N/A LEU 226.A N THR 222.A O no hydrogen 2.930 N/A GLN 227.A N VAL 223.A O no hydrogen 2.809 N/A GLY 228.A N LEU 225.A O no hydrogen 2.964 N/A ARG 229.A N TYR 224.A O no hydrogen 3.214 N/A ARG 229.A NE GLN 227.A OE1 no hydrogen 3.143 N/A ARG 230.A NE TRP 249.A O no hydrogen 3.201 N/A ARG 230.A NH1 LEU 225.A O no hydrogen 3.042 N/A ARG 230.A NH1 ARG 229.A O no hydrogen 3.015 N/A ARG 230.A NH2 TRP 249.A O no hydrogen 2.759 N/A GLN 233.A NE2 CYS 237.A O no hydrogen 2.830 N/A GLN 233.A NE2 ASP 239.A OD1 no hydrogen 2.705 N/A CYS 237.A N PRO 234.A O no hydrogen 3.134 N/A CYS 237.A SG PRO 238.A O no hydrogen 3.402 N/A TYR 242.A N PRO 238.A O no hydrogen 3.098 N/A TYR 242.A OH LEU 231.A O no hydrogen 2.697 N/A GLU 243.A N ASP 239.A O no hydrogen 3.027 N/A VAL 244.A N PRO 240.A O no hydrogen 3.238 N/A MET 245.A N LEU 241.A O no hydrogen 3.118 N/A LEU 246.A N TYR 242.A O no hydrogen 3.031 N/A LYS 247.A N GLU 243.A O no hydrogen 2.997 N/A CYS 248.A N VAL 244.A O no hydrogen 2.950 N/A CYS 248.A SG VAL 244.A O no hydrogen 3.341 N/A TRP 249.A N MET 245.A O no hydrogen 3.144 N/A TRP 249.A N LEU 246.A O no hydrogen 3.163 N/A HIS 250.A N LYS 247.A O no hydrogen 3.430 N/A LYS 252.A N HIS 250.A ND1 no hydrogen 3.302 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 3.040 N/A MET 255.A N LYS 252.A O no hydrogen 2.973 N/A ARG 256.A N ALA 253.A O no hydrogen 3.298 N/A ARG 256.A NE HIS 250.A O no hydrogen 2.894 N/A ARG 256.A NH1 GLU 182.A OE1 no hydrogen 2.727 N/A ARG 256.A NH1 GLU 182.A OE2 no hydrogen 3.569 N/A ARG 256.A NH1 LYS 192.A O no hydrogen 2.958 N/A ARG 256.A NH2 GLU 182.A OE2 no hydrogen 2.840 N/A ARG 256.A NH2 HIS 250.A O no hydrogen 2.845 N/A SER 258.A N GLU 261.A OE2 no hydrogen 3.164 N/A GLU 261.A N SER 258.A OG no hydrogen 3.192 N/A LEU 262.A N SER 258.A O no hydrogen 2.913 N/A VAL 263.A N PHE 259.A O no hydrogen 2.882 N/A SER 264.A N SER 260.A O no hydrogen 3.227 N/A ARG 265.A N GLU 261.A O no hydrogen 2.894 N/A ILE 266.A N LEU 262.A O no hydrogen 2.822 N/A SER 267.A N VAL 263.A O no hydrogen 2.904 N/A ALA 268.A N SER 264.A O no hydrogen 3.271 N/A ILE 269.A N ARG 265.A O no hydrogen 3.180 N/A PHE 270.A N ILE 266.A O no hydrogen 2.829 N/A SER 271.A N SER 267.A O no hydrogen 3.268 N/A SER 271.A OG SER 267.A O no hydrogen 3.315 N/A SER 271.A OG ALA 268.A O no hydrogen 2.705 N/A THR 272.A N ILE 269.A O no hydrogen 3.079 N/A THR 272.A OG1 ILE 269.A O no hydrogen 2.690 N/A PHE 273.A N PHE 270.A O no hydrogen 3.323 N/A HIS 277.A N ASP 130.A OD2 no hydrogen 2.692 N/A HIS 277.A ND1 ASN 125.A O no hydrogen 2.672 N/A TYR 278.A N ASP 130.A OD1 no hydrogen 2.966 N/A TYR 278.A N ASP 130.A OD2 no hydrogen 3.356 N/A