Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N HIS 2.A O no hydrogen 3.431 N/A LEU 8.A N SER 4.A O no hydrogen 3.493 N/A SER 10.A N ALA 7.A O no hydrogen 2.705 N/A TYR 11.A OH GLN 58.A OE1 no hydrogen 2.996 N/A GLN 13.A N SER 9.A O no hydrogen 3.359 N/A ASN 15.A N TYR 11.A O no hydrogen 3.011 N/A ASN 16.A N GLN 13.A O no hydrogen 3.091 N/A ASN 16.A ND2 GLN 12.A O no hydrogen 3.452 N/A GLN 17.A N GLN 13.A O no hydrogen 2.978 N/A GLN 18.A N ARG 14.A O no hydrogen 2.646 N/A LEU 19.A N ASN 15.A O no hydrogen 3.006 N/A ASP 20.A N GLN 17.A O no hydrogen 3.325 N/A GLN 21.A N GLN 17.A O no hydrogen 3.471 N/A TRP 22.A N GLN 18.A O no hydrogen 3.418 N/A LEU 23.A N LEU 19.A O no hydrogen 3.242 N/A ASN 24.A N ASP 20.A O no hydrogen 2.683 N/A ARG 25.A N TRP 22.A O no hydrogen 3.261 N/A ILE 26.A N LEU 23.A O no hydrogen 3.110 N/A GLN 29.A NE2 LEU 23.A O no hydrogen 3.503 N/A LEU 31.A N PHE 28.A O no hydrogen 2.926 N/A GLU 35.A N PRO 32.A O no hydrogen 2.532 N/A ALA 36.A N PRO 32.A O no hydrogen 2.927 N/A MET 37.A N LEU 33.A O no hydrogen 2.989 N/A ARG 38.A NH1 ASN 24.A OD1 no hydrogen 3.402 N/A ARG 38.A NH2 ASN 24.A OD1 no hydrogen 2.809 N/A ARG 38.A NH2 GLN 29.A OE1 no hydrogen 3.056 N/A TYR 39.A N GLU 35.A O no hydrogen 2.821 N/A GLY 40.A N ALA 36.A O no hydrogen 2.686 N/A LEU 42.A N ARG 38.A O no hydrogen 3.164 N/A LEU 43.A N TYR 39.A O no hydrogen 2.977 N/A ARG 47.A NE ASN 15.A OD1 no hydrogen 3.194 N/A ARG 47.A NH1 LEU 41.A O no hydrogen 3.451 N/A ARG 47.A NH2 LEU 41.A O no hydrogen 3.326 N/A TYR 51.A N ARG 47.A O no hydrogen 3.213 N/A LEU 52.A N ALA 48.A O no hydrogen 2.874 N/A VAL 53.A N ARG 49.A O no hydrogen 2.897 N/A TYR 54.A N PRO 50.A O no hydrogen 2.992 N/A TYR 54.A OH ASP 68.A OD1 no hydrogen 2.575 N/A ILE 55.A N TYR 51.A O no hydrogen 2.959 N/A THR 56.A N LEU 52.A O no hydrogen 3.131 N/A THR 56.A OG1 LEU 52.A O no hydrogen 2.360 N/A GLY 57.A N VAL 53.A O no hydrogen 3.003 N/A GLN 58.A N TYR 54.A O no hydrogen 2.917 N/A MET 59.A N ILE 55.A O no hydrogen 2.928 N/A LEU 60.A N GLY 57.A O no hydrogen 2.554 N/A GLY 61.A N GLN 58.A O no hydrogen 2.644 N/A CYS 62.A N GLY 57.A O no hydrogen 3.288 N/A CYS 62.A SG GLY 57.A O no hydrogen 3.732 N/A GLU 63.A N ASP 66.A OD2 no hydrogen 3.396 N/A ASP 66.A N GLU 63.A O no hydrogen 3.033 N/A LEU 67.A N LEU 64.A O no hydrogen 2.880 N/A THR 69.A OG1 ASP 116.A O no hydrogen 2.704 N/A ALA 71.A N LEU 67.A O no hydrogen 2.924 N/A SER 72.A N ASP 68.A O no hydrogen 2.762 N/A SER 72.A OG ASP 68.A O no hydrogen 2.355 N/A ALA 73.A N THR 69.A O no hydrogen 2.867 N/A VAL 74.A N PRO 70.A O no hydrogen 2.903 N/A GLU 75.A N ALA 71.A O no hydrogen 3.360 N/A CYS 76.A N SER 72.A O no hydrogen 3.281 N/A CYS 76.A SG SER 72.A O no hydrogen 3.572 N/A ILE 77.A N ALA 73.A O no hydrogen 3.456 N/A HIS 78.A N VAL 74.A O no hydrogen 3.167 N/A ALA 79.A N GLU 75.A O no hydrogen 2.843 N/A TYR 80.A N CYS 76.A O no hydrogen 3.019 N/A SER 81.A N ILE 77.A O no hydrogen 2.985 N/A SER 81.A OG HIS 78.A O no hydrogen 2.258 N/A LEU 82.A N HIS 78.A O no hydrogen 3.156 N/A ILE 83.A N ALA 79.A O no hydrogen 3.200 N/A HIS 84.A N TYR 80.A O no hydrogen 3.104 N/A ASP 85.A N SER 81.A O no hydrogen 3.053 N/A ASP 86.A N LEU 82.A O no hydrogen 3.040 N/A LEU 87.A N HIS 84.A O no hydrogen 3.342 N/A ASP 91.A N LEU 87.A O no hydrogen 2.804 N/A ASP 92.A N PRO 88.A O no hydrogen 3.207 N/A ILE 98.A N GLU 94.A O no hydrogen 2.858 N/A LEU 99.A N ALA 95.A O no hydrogen 2.956 N/A THR 100.A N THR 96.A O no hydrogen 2.966 N/A THR 100.A OG1 THR 96.A O no hydrogen 2.447 N/A GLY 101.A N ALA 97.A O no hydrogen 3.066 N/A ASP 102.A N ILE 98.A O no hydrogen 3.090 N/A ALA 103.A N LEU 99.A O no hydrogen 2.817 N/A LEU 104.A N THR 100.A O no hydrogen 3.270 N/A LEU 104.A N GLY 101.A O no hydrogen 2.853 N/A GLN 105.A N GLY 101.A O no hydrogen 3.128 N/A THR 106.A N ASP 102.A O no hydrogen 3.169 N/A THR 106.A OG1 ASP 102.A O no hydrogen 3.206 N/A LEU 107.A N ALA 103.A O no hydrogen 2.869 N/A ALA 108.A N LEU 104.A O no hydrogen 2.972 N/A ALA 108.A N GLN 105.A O no hydrogen 2.944 N/A PHE 109.A N THR 106.A O no hydrogen 3.025 N/A THR 110.A N THR 106.A O no hydrogen 2.961 N/A ILE 111.A N LEU 107.A O no hydrogen 2.946 N/A LEU 112.A N ALA 108.A O no hydrogen 3.158 N/A ALA 113.A N PHE 109.A O no hydrogen 2.771 N/A GLU 114.A N THR 110.A O no hydrogen 2.821 N/A GLY 115.A N ILE 111.A O no hydrogen 2.810 N/A SER 118.A OG ALA 183.A O no hydrogen 3.502 N/A GLY 121.A N SER 118.A OG no hydrogen 2.767 N/A GLU 122.A N SER 118.A O no hydrogen 2.856 N/A THR 123.A OG1 ALA 120.A O no hydrogen 2.512 N/A GLN 124.A N GLY 121.A O no hydrogen 2.605 N/A GLN 124.A NE2 THR 123.A OG1 no hydrogen 2.946 N/A GLN 124.A NE2 GLU 186.A OE2 no hydrogen 2.943 N/A ARG 125.A N GLU 122.A O no hydrogen 3.023 N/A ARG 125.A NE GLU 122.A OE1 no hydrogen 3.392 N/A ARG 125.A NE GLU 122.A OE2 no hydrogen 2.808 N/A ARG 125.A NH1 GLY 115.A O no hydrogen 2.496 N/A ARG 125.A NH1 GLU 122.A OE2 no hydrogen 2.515 N/A ARG 125.A NH2 LEU 112.A O no hydrogen 2.595 N/A ARG 125.A NH2 GLY 115.A O no hydrogen 2.904 N/A MET 128.A N GLN 124.A O no hydrogen 2.741 N/A LEU 129.A N ARG 125.A O no hydrogen 3.077 N/A GLN 130.A N VAL 126.A O no hydrogen 2.990 N/A ALA 131.A N ALA 127.A O no hydrogen 3.100 N/A LEU 132.A N MET 128.A O no hydrogen 3.032 N/A ALA 133.A N LEU 129.A O no hydrogen 2.839 N/A GLU 134.A N GLN 130.A O no hydrogen 2.808 N/A ALA 135.A N ALA 131.A O no hydrogen 3.072 N/A SER 136.A N ALA 133.A O no hydrogen 3.014 N/A SER 136.A OG LEU 132.A O no hydrogen 2.635 N/A GLY 137.A N ALA 133.A O no hydrogen 3.014 N/A GLY 140.A N GLY 137.A O no hydrogen 2.938 N/A MET 141.A N ALA 135.A O no hydrogen 2.915 N/A CYS 142.A N GLY 137.A O no hydrogen 2.929 N/A CYS 142.A SG SER 136.A O no hydrogen 3.564 N/A LEU 143.A N GLY 137.A O no hydrogen 3.375 N/A GLY 144.A N GLY 140.A O no hydrogen 2.828 N/A GLN 145.A N MET 141.A O no hydrogen 3.214 N/A GLN 145.A N CYS 142.A O no hydrogen 3.186 N/A GLN 145.A NE2 ASP 85.A OD1 no hydrogen 2.995 N/A ALA 146.A N CYS 142.A O no hydrogen 2.864 N/A LEU 147.A N LEU 143.A O no hydrogen 3.256 N/A ASP 148.A N GLY 144.A O no hydrogen 3.202 N/A LEU 149.A N ALA 146.A O no hydrogen 3.327 N/A ALA 151.A N LEU 147.A O no hydrogen 3.182 N/A GLU 152.A N LEU 149.A O no hydrogen 2.938 N/A ILE 156.A N SER 220.A OG no hydrogen 2.422 N/A SER 157.A N GLU 160.A OE1 no hydrogen 2.601 N/A SER 157.A OG GLU 159.A OE1 no hydrogen 3.067 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.092 N/A LEU 161.A N SER 157.A O no hydrogen 2.789 N/A GLU 162.A N LEU 158.A O no hydrogen 2.953 N/A GLU 162.A N GLU 159.A O no hydrogen 2.624 N/A THR 163.A N GLU 159.A O no hydrogen 2.776 N/A THR 163.A OG1 GLU 159.A O no hydrogen 3.569 N/A ILE 164.A N GLU 160.A O no hydrogen 2.916 N/A HIS 165.A N LEU 161.A O no hydrogen 3.256 N/A ARG 166.A N GLU 162.A O no hydrogen 2.659 N/A ASN 167.A N THR 163.A O no hydrogen 3.325 N/A ASN 167.A ND2 THR 163.A O no hydrogen 2.979 N/A LYS 168.A N ILE 164.A O no hydrogen 2.794 N/A LYS 168.A NZ ASP 148.A OD2 no hydrogen 3.263 N/A THR 169.A N HIS 165.A O no hydrogen 2.862 N/A GLY 170.A N HIS 165.A O no hydrogen 2.859 N/A ALA 171.A N ARG 166.A O no hydrogen 2.932 N/A MET 173.A N THR 169.A O no hydrogen 3.457 N/A ARG 174.A N GLY 170.A O no hydrogen 2.766 N/A ARG 174.A NH1 GLU 200.A OE1 no hydrogen 3.285 N/A CYS 175.A SG ALA 131.A O no hydrogen 3.544 N/A ALA 176.A N LEU 172.A O no hydrogen 2.895 N/A ILE 177.A N MET 173.A O no hydrogen 3.293 N/A ARG 178.A N ARG 174.A O no hydrogen 3.003 N/A ARG 178.A NE ASP 196.A OD1 no hydrogen 2.966 N/A ARG 178.A NH1 GLU 134.A OE2 no hydrogen 3.335 N/A ARG 178.A NH2 ASP 196.A OD2 no hydrogen 3.099 N/A LEU 179.A N CYS 175.A O no hydrogen 2.798 N/A GLY 180.A N ALA 176.A O no hydrogen 3.117 N/A ALA 181.A N ILE 177.A O no hydrogen 3.058 N/A LEU 182.A N ARG 178.A O no hydrogen 2.897 N/A ALA 183.A N LEU 179.A O no hydrogen 3.014 N/A ALA 184.A N ALA 181.A O no hydrogen 3.073 N/A GLY 185.A N LEU 182.A O no hydrogen 2.764 N/A LYS 187.A NZ LEU 60.A O no hydrogen 2.304 N/A ARG 189.A N GLY 185.A O no hydrogen 2.970 N/A ARG 189.A NE GLU 186.A OE1 no hydrogen 3.297 N/A ARG 189.A NH2 GLU 186.A OE1 no hydrogen 3.158 N/A ALA 190.A N GLU 186.A O no hydrogen 2.975 N/A MET 191.A N GLY 188.A O no hydrogen 2.949 N/A LEU 192.A N ARG 189.A O no hydrogen 3.101 N/A LEU 195.A N MET 191.A O no hydrogen 3.050 N/A ASP 196.A N LEU 192.A O no hydrogen 2.550 N/A ARG 197.A N PRO 193.A O no hydrogen 3.216 N/A TYR 198.A N HIS 194.A O no hydrogen 3.003 N/A TYR 198.A OH LEU 256.A O no hydrogen 2.855 N/A ALA 199.A N LEU 195.A O no hydrogen 2.744 N/A GLU 200.A N ASP 196.A O no hydrogen 2.777 N/A ALA 201.A N ARG 197.A O no hydrogen 3.086 N/A VAL 202.A N TYR 198.A O no hydrogen 2.891 N/A GLY 203.A N ALA 199.A O no hydrogen 2.700 N/A LEU 204.A N GLU 200.A O no hydrogen 3.157 N/A ALA 205.A N ALA 201.A O no hydrogen 3.044 N/A PHE 206.A N VAL 202.A O no hydrogen 3.166 N/A GLN 207.A N LEU 204.A O no hydrogen 2.986 N/A VAL 208.A N LEU 204.A O no hydrogen 3.200 N/A GLN 209.A N ALA 205.A O no hydrogen 3.045 N/A GLN 209.A NE2 ARG 266.A O no hydrogen 3.205 N/A ASP 210.A N GLN 207.A O no hydrogen 2.857 N/A ASP 211.A N GLN 207.A O no hydrogen 3.343 N/A ILE 212.A N VAL 208.A O no hydrogen 3.186 N/A LEU 213.A N ASP 210.A O no hydrogen 2.331 N/A ASP 214.A N ASP 210.A O no hydrogen 2.847 N/A ILE 215.A N ASP 211.A O no hydrogen 2.991 N/A ILE 216.A N ILE 212.A O no hydrogen 3.285 N/A SER 217.A OG LEU 213.A O no hydrogen 3.540 N/A SER 217.A OG ASP 214.A O no hydrogen 3.395 N/A TYR 222.A N ASP 211.A OD2 no hydrogen 3.061 N/A ALA 224.A N THR 221.A OG1 no hydrogen 3.335 N/A LEU 225.A N THR 221.A O no hydrogen 2.982 N/A LEU 226.A N PRO 223.A O no hydrogen 3.441 N/A ALA 231.A N GLY 227.A O no hydrogen 2.847 N/A ALA 231.A N LEU 228.A O no hydrogen 3.294 N/A GLN 232.A N LEU 228.A O no hydrogen 3.113 N/A GLN 233.A N GLU 229.A O no hydrogen 3.095 N/A GLN 233.A NE2 GLN 233.A O no hydrogen 3.380 N/A LYS 234.A NZ GLU 162.A OE2 no hydrogen 2.665 N/A ALA 235.A N ALA 231.A O no hydrogen 2.899 N/A HIS 236.A N GLN 232.A O no hydrogen 3.069 N/A THR 237.A N GLN 233.A O no hydrogen 3.016 N/A THR 237.A OG1 GLN 233.A O no hydrogen 2.606 N/A LEU 238.A N LYS 234.A O no hydrogen 2.878 N/A LEU 239.A N ALA 235.A O no hydrogen 2.896 N/A GLN 240.A N HIS 236.A O no hydrogen 3.037 N/A GLN 240.A NE2 HIS 236.A O no hydrogen 3.654 N/A GLU 241.A N THR 237.A O no hydrogen 2.973 N/A ALA 242.A N LEU 238.A O no hydrogen 2.880 N/A LEU 243.A N LEU 239.A O no hydrogen 3.136 N/A LEU 244.A N GLN 240.A O no hydrogen 2.943 N/A ALA 245.A N GLU 241.A O no hydrogen 3.060 N/A ALA 245.A N ALA 242.A O no hydrogen 2.591 N/A LEU 246.A N ALA 242.A O no hydrogen 3.050 N/A ALA 248.A N ALA 245.A O no hydrogen 3.075 N/A ILE 249.A N LEU 246.A O no hydrogen 3.089 N/A THR 253.A OG1 LEU 246.A O no hydrogen 3.281 N/A THR 253.A OG1 TYR 251.A O no hydrogen 3.159 N/A GLU 254.A N ASN 252.A OD1 no hydrogen 3.393 N/A GLU 257.A N THR 253.A O no hydrogen 3.033 N/A GLU 258.A N GLU 254.A O no hydrogen 2.947 N/A PHE 259.A N HIS 255.A O no hydrogen 2.973 N/A ALA 260.A N LEU 256.A O no hydrogen 2.892 N/A ARG 261.A N GLU 257.A O no hydrogen 3.163 N/A TYR 262.A N GLU 258.A O no hydrogen 3.122 N/A VAL 263.A N PHE 259.A O no hydrogen 3.101 N/A VAL 264.A N ARG 261.A O no hydrogen 3.018 N/A GLU 265.A N ARG 261.A O no hydrogen 2.812 N/A ARG 266.A NE VAL 263.A O no hydrogen 2.738 N/A ARG 266.A NH1 ASP 210.A OD1 no hydrogen 2.946 N/A ARG 266.A NH2 ASP 210.A OD1 no hydrogen 3.184 N/A ARG 266.A NH2 ASN 268.A OD1 no hydrogen 3.480 N/A