Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qle_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 16.A N SER 14.A OG no hydrogen 3.300 N/A TRP 16.A NE1 ASP 68.A OD2 no hydrogen 2.608 N/A PHE 19.A N ILE 15.A O no hydrogen 3.075 N/A GLY 20.A N TRP 16.A O no hydrogen 2.799 N/A ALA 21.A N PRO 17.A O no hydrogen 2.859 N/A ALA 21.A N PHE 18.A O no hydrogen 3.036 N/A ILE 22.A N PHE 18.A O no hydrogen 3.217 N/A ALA 24.A N ALA 21.A O no hydrogen 3.001 N/A PHE 25.A N ALA 21.A O no hydrogen 3.253 N/A LEU 28.A N ALA 24.A O no hydrogen 3.044 N/A THR 29.A OG1 PHE 25.A O no hydrogen 3.060 N/A THR 29.A OG1 VAL 26.A O no hydrogen 2.981 N/A GLY 30.A N VAL 26.A O no hydrogen 2.701 N/A ALA 31.A N MET 27.A O no hydrogen 2.742 N/A VAL 32.A N LEU 28.A O no hydrogen 2.888 N/A ALA 33.A N THR 29.A O no hydrogen 3.178 N/A TRP 34.A N GLY 30.A O no hydrogen 2.663 N/A MET 35.A N ALA 31.A O no hydrogen 3.151 N/A LYS 36.A N VAL 32.A O no hydrogen 3.201 N/A GLY 47.A N VAL 45.A O no hydrogen 2.764 N/A ILE 53.A N TRP 49.A O no hydrogen 2.614 N/A LEU 55.A N LEU 52.A O no hydrogen 3.050 N/A VAL 56.A N LEU 52.A O no hydrogen 3.260 N/A VAL 58.A N GLY 54.A O no hydrogen 3.457 N/A LEU 59.A N LEU 55.A O no hydrogen 2.829 N/A TYR 60.A N VAL 56.A O no hydrogen 2.692 N/A VAL 61.A N GLY 57.A O no hydrogen 2.875 N/A PHE 63.A N LEU 59.A O no hydrogen 3.211 N/A GLY 64.A N TYR 60.A O no hydrogen 3.137 N/A TRP 65.A N VAL 61.A O no hydrogen 3.232 N/A TRP 66.A N MET 62.A O no hydrogen 2.763 N/A ASP 68.A N GLY 64.A O no hydrogen 2.866 N/A VAL 69.A N TRP 65.A O no hydrogen 3.100 N/A VAL 70.A N TRP 66.A O no hydrogen 2.948 N/A ASN 71.A N ALA 67.A O no hydrogen 3.120 N/A GLU 72.A N ASP 68.A O no hydrogen 2.770 N/A GLY 73.A N VAL 69.A O no hydrogen 3.276 N/A GLU 74.A N VAL 70.A O no hydrogen 3.381 N/A THR 75.A OG1 ASN 71.A O no hydrogen 2.786 N/A THR 75.A OG1 ASN 71.A OD1 no hydrogen 3.363 N/A GLU 77.A N GLU 72.A O no hydrogen 3.051 N/A THR 79.A N GLU 77.A O no hydrogen 2.675 N/A THR 79.A OG1 ASP 7.A O no hydrogen 3.506 N/A ARG 83.A N THR 79.A O no hydrogen 2.958 N/A ARG 83.A N PRO 80.A O no hydrogen 3.093 N/A ARG 83.A NE HIS 78.A O no hydrogen 3.054 N/A ILE 84.A N PRO 80.A O no hydrogen 3.048 N/A GLY 85.A N VAL 81.A O no hydrogen 2.996 N/A LEU 86.A N VAL 82.A O no hydrogen 3.266 N/A GLN 87.A N ARG 83.A O no hydrogen 3.423 N/A GLN 87.A N ILE 84.A O no hydrogen 3.178 N/A GLN 87.A NE2 GLU 248.A OE1 no hydrogen 2.942 N/A TYR 88.A N ILE 84.A O no hydrogen 3.409 N/A GLY 89.A N GLY 85.A O no hydrogen 3.296 N/A PHE 90.A N LEU 86.A O no hydrogen 3.305 N/A PHE 90.A N GLN 87.A O no hydrogen 2.764 N/A ILE 91.A N GLN 87.A O no hydrogen 3.037 N/A LEU 92.A N TYR 88.A O no hydrogen 2.814 N/A PHE 93.A N GLY 89.A O no hydrogen 3.164 N/A ILE 94.A N PHE 90.A O no hydrogen 2.840 N/A MET 95.A N ILE 91.A O no hydrogen 2.562 N/A SER 96.A N LEU 92.A O no hydrogen 3.234 N/A SER 96.A OG LEU 92.A O no hydrogen 3.566 N/A GLU 97.A N PHE 93.A O no hydrogen 3.044 N/A VAL 98.A N ILE 94.A O no hydrogen 2.892 N/A VAL 98.A N MET 95.A O no hydrogen 2.694 N/A MET 99.A N MET 95.A O no hydrogen 2.924 N/A PHE 100.A N SER 96.A O no hydrogen 3.055 N/A VAL 102.A N VAL 98.A O no hydrogen 3.110 N/A PHE 105.A N PHE 101.A O no hydrogen 2.861 N/A TRP 106.A N VAL 102.A O no hydrogen 2.883 N/A ALA 107.A N ALA 103.A O no hydrogen 2.931 N/A PHE 108.A N PHE 105.A O no hydrogen 2.711 N/A ILE 109.A N PHE 105.A O no hydrogen 2.709 N/A LYS 110.A N TRP 106.A O no hydrogen 3.373 N/A ALA 112.A N PHE 108.A O no hydrogen 2.799 N/A LEU 113.A N ILE 109.A O no hydrogen 3.069 N/A TYR 114.A N LYS 110.A O no hydrogen 2.731 N/A GLY 117.A N SER 120.A OG no hydrogen 2.600 N/A SER 120.A N GLY 117.A O no hydrogen 3.408 N/A SER 120.A OG GLY 117.A O no hydrogen 2.938 N/A SER 120.A OG LYS 123.A O no hydrogen 3.511 N/A LYS 123.A N ASP 119.A O no hydrogen 2.688 N/A LYS 123.A NZ ASP 119.A OD1 no hydrogen 2.593 N/A GLY 125.A N PRO 115.A O no hydrogen 3.354 N/A ILE 132.A N PRO 129.A O no hydrogen 3.033 N/A THR 134.A OG1 ARG 273.A O no hydrogen 3.310 N/A ILE 143.A N LEU 140.A O no hydrogen 3.268 N/A THR 145.A OG1 PRO 141.A O no hydrogen 2.855 N/A ILE 147.A N ILE 143.A O no hydrogen 3.026 N/A LEU 148.A N ASN 144.A O no hydrogen 3.180 N/A LEU 149.A N THR 145.A O no hydrogen 3.129 N/A LEU 150.A N ILE 147.A O no hydrogen 3.202 N/A SER 151.A N ILE 147.A O no hydrogen 2.748 N/A SER 151.A OG ILE 147.A O no hydrogen 3.460 N/A SER 151.A OG LEU 148.A O no hydrogen 2.971 N/A VAL 153.A N LEU 149.A O no hydrogen 3.389 N/A ALA 154.A N LEU 150.A O no hydrogen 2.903 N/A VAL 155.A N GLY 152.A O no hydrogen 2.903 N/A THR 156.A N GLY 152.A O no hydrogen 2.956 N/A THR 156.A OG1 GLY 152.A O no hydrogen 3.457 N/A TRP 157.A N VAL 153.A O no hydrogen 2.855 N/A ALA 158.A N ALA 154.A O no hydrogen 3.431 N/A HIS 160.A N THR 156.A O no hydrogen 3.296 N/A ALA 161.A N TRP 157.A O no hydrogen 2.875 N/A VAL 163.A N HIS 159.A O no hydrogen 2.942 N/A GLU 165.A N ALA 161.A O no hydrogen 2.556 N/A ARG 168.A NE LEU 234.A O no hydrogen 3.189 N/A ARG 168.A NH1 MET 239.A O no hydrogen 2.525 N/A ARG 168.A NH2 LEU 234.A O no hydrogen 2.835 N/A LYS 169.A N ASP 167.A OD2 no hydrogen 2.881 N/A THR 170.A N ASP 167.A OD1 no hydrogen 3.249 N/A THR 170.A OG1 ASP 167.A OD1 no hydrogen 3.048 N/A THR 171.A N ASP 167.A O no hydrogen 3.095 N/A THR 171.A OG1 ALA 158.A O no hydrogen 2.770 N/A THR 171.A OG1 ASP 167.A O no hydrogen 2.927 N/A ILE 172.A N ARG 168.A O no hydrogen 2.868 N/A ASN 173.A N LYS 169.A O no hydrogen 2.777 N/A GLY 174.A N THR 170.A O no hydrogen 2.352 N/A LEU 175.A N THR 171.A O no hydrogen 2.691 N/A ILE 176.A N ASN 173.A O no hydrogen 2.987 N/A VAL 177.A N ASN 173.A O no hydrogen 3.096 N/A VAL 177.A N GLY 174.A O no hydrogen 2.980 N/A GLY 182.A N ALA 178.A O no hydrogen 3.109 N/A VAL 183.A N ILE 180.A O no hydrogen 2.971 N/A CYS 184.A N ILE 180.A O no hydrogen 2.808 N/A CYS 184.A SG ILE 180.A O no hydrogen 2.965 N/A PHE 185.A N LEU 181.A O no hydrogen 3.086 N/A LEU 188.A N CYS 184.A O no hydrogen 2.920 N/A GLN 189.A N PHE 185.A O no hydrogen 2.858 N/A GLN 189.A NE2 THR 213.A O no hydrogen 3.360 N/A ALA 190.A N THR 186.A O no hydrogen 2.755 N/A TYR 191.A N GLY 187.A O no hydrogen 2.599 N/A GLU 192.A N LEU 188.A O no hydrogen 3.289 N/A GLU 192.A N GLN 189.A O no hydrogen 2.903 N/A TYR 193.A N GLN 189.A O no hydrogen 3.181 N/A SER 194.A N TYR 191.A O no hydrogen 3.058 N/A SER 194.A OG ALA 190.A O no hydrogen 2.557 N/A GLY 207.A N THR 203.A O no hydrogen 3.035 N/A ALA 208.A N VAL 204.A O no hydrogen 2.729 N/A TYR 210.A N ALA 206.A O no hydrogen 3.014 N/A TYR 210.A N GLY 207.A O no hydrogen 3.345 N/A TYR 210.A OH PHE 198.A O no hydrogen 3.308 N/A MET 211.A N GLY 207.A O no hydrogen 2.882 N/A GLY 214.A N TYR 210.A O no hydrogen 2.894 N/A HIS 216.A N ALA 212.A O no hydrogen 2.956 N/A HIS 216.A NE2 VAL 257.A O no hydrogen 2.832 N/A GLY 217.A N THR 213.A O no hydrogen 3.047 N/A GLY 217.A N GLY 214.A O no hydrogen 2.883 N/A ALA 218.A N PHE 215.A O no hydrogen 3.297 N/A HIS 219.A N PHE 215.A O no hydrogen 3.430 N/A HIS 219.A ND1 PHE 215.A O no hydrogen 3.270 N/A VAL 220.A N HIS 216.A O no hydrogen 3.077 N/A ILE 221.A N GLY 217.A O no hydrogen 2.900 N/A ILE 222.A N HIS 219.A O no hydrogen 3.267 N/A GLY 223.A N HIS 219.A O no hydrogen 2.784 N/A THR 224.A N VAL 220.A O no hydrogen 3.045 N/A THR 224.A OG1 VAL 220.A O no hydrogen 3.311 N/A THR 224.A OG1 ILE 221.A O no hydrogen 3.076 N/A PHE 226.A N ILE 222.A O no hydrogen 3.219 N/A LEU 227.A N GLY 223.A O no hydrogen 3.040 N/A PHE 228.A N THR 224.A O no hydrogen 2.869 N/A VAL 229.A N ILE 225.A O no hydrogen 2.914 N/A CYS 230.A SG PHE 226.A O no hydrogen 3.087 N/A CYS 230.A SG GLY 246.A O no hydrogen 3.274 N/A LEU 231.A N LEU 227.A O no hydrogen 3.047 N/A LEU 231.A N PHE 228.A O no hydrogen 2.892 N/A ILE 232.A N PHE 228.A O no hydrogen 2.893 N/A ARG 233.A N VAL 229.A O no hydrogen 2.942 N/A ARG 233.A NE GLN 238.A OE1 no hydrogen 2.952 N/A LEU 234.A N CYS 230.A O no hydrogen 2.777 N/A LEU 235.A N LEU 231.A O no hydrogen 2.750 N/A GLY 237.A N LEU 234.A O no hydrogen 3.270 N/A THR 240.A N GLN 243.A O no hydrogen 3.023 N/A THR 240.A OG1 GLN 243.A O no hydrogen 3.055 N/A GLN 241.A NE2 VAL 163.A O no hydrogen 3.098 N/A GLN 243.A N THR 240.A O no hydrogen 2.943 N/A PHE 247.A N HIS 244.A O no hydrogen 3.141 N/A GLU 248.A N HIS 244.A O no hydrogen 3.075 N/A ALA 249.A N VAL 245.A O no hydrogen 2.490 N/A ALA 250.A N GLY 246.A O no hydrogen 2.736 N/A ALA 251.A N PHE 247.A O no hydrogen 2.728 N/A TRP 252.A N GLU 248.A O no hydrogen 2.738 N/A TYR 253.A N ALA 249.A O no hydrogen 3.128 N/A TYR 253.A OH HIS 219.A O no hydrogen 3.134 N/A TRP 254.A N ALA 250.A O no hydrogen 3.041 N/A HIS 255.A N ALA 251.A O no hydrogen 3.090 N/A VAL 257.A N TYR 253.A O no hydrogen 2.955 N/A ASP 258.A N TRP 254.A O no hydrogen 2.897 N/A ASP 258.A N HIS 255.A O no hydrogen 3.122 N/A VAL 259.A N HIS 255.A O no hydrogen 2.760 N/A VAL 260.A N PHE 256.A O no hydrogen 3.140 N/A TRP 261.A N ASP 258.A O no hydrogen 3.155 N/A PHE 263.A N VAL 259.A O no hydrogen 3.414 N/A LEU 264.A N VAL 260.A O no hydrogen 3.025 N/A PHE 265.A N TRP 261.A O no hydrogen 2.966 N/A VAL 266.A N LEU 262.A O no hydrogen 2.735 N/A VAL 267.A N PHE 263.A O no hydrogen 2.779 N/A TRP 271.A N VAL 266.A O no hydrogen 3.170 N/A GLY 272.A N VAL 267.A O no hydrogen 2.811 N/A