Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 13.A OE2 no hydrogen 3.327 N/A SER 3.A OG PHE 5.A O no hydrogen 3.556 N/A SER 3.A OG GLU 8.A OE1 no hydrogen 2.506 N/A PHE 5.A N SER 3.A OG no hydrogen 3.256 N/A VAL 6.A N VAL 63.A O no hydrogen 2.856 N/A GLU 8.A N PHE 5.A O no hydrogen 2.904 N/A LEU 9.A N VAL 6.A O no hydrogen 3.054 N/A THR 10.A N GLU 13.A OE1 no hydrogen 2.878 N/A LYS 12.A NZ GLU 15.A OE1 no hydrogen 2.846 N/A GLU 13.A N THR 10.A OG1 no hydrogen 3.160 N/A TYR 14.A N THR 10.A O no hydrogen 3.108 N/A TYR 14.A OH HIS 108.A ND1 no hydrogen 2.884 N/A GLU 15.A N TRP 11.A O no hydrogen 2.694 N/A ALA 16.A N LYS 12.A O no hydrogen 2.824 N/A ARG 17.A N GLU 13.A O no hydrogen 3.139 N/A ARG 17.A NH1 GLY 60.A O no hydrogen 3.169 N/A VAL 18.A N TYR 14.A O no hydrogen 3.040 N/A ALA 19.A N GLU 15.A O no hydrogen 2.912 N/A ALA 20.A N ARG 17.A O no hydrogen 3.101 N/A GLY 21.A N VAL 18.A O no hydrogen 3.045 N/A LEU 25.A N ARG 112.A O no hydrogen 2.959 N/A MET 26.A N LEU 62.A O no hydrogen 2.791 N/A LEU 27.A N VAL 114.A O no hydrogen 2.777 N/A VAL 29.A N MET 116.A O no hydrogen 2.845 N/A GLY 30.A N LEU 67.A O no hydrogen 2.951 N/A GLU 33.A N MET 41.A O no hydrogen 2.955 N/A GLN 34.A N THR 86.A OG1 no hydrogen 2.904 N/A GLN 34.A NE2 GLY 78.A O no hydrogen 3.264 N/A GLN 34.A NE2 GLY 224.A O no hydrogen 3.145 N/A HIS 35.A ND1 GLU 33.A O no hydrogen 2.855 N/A GLY 36.A N GLN 34.A OE1 no hydrogen 2.883 N/A HIS 38.A NE2 THR 183.A OG1 no hydrogen 3.055 N/A CYS 40.A SG ASN 42.A OD1 no hydrogen 2.999 N/A VAL 45.A N ASN 42.A O no hydrogen 3.087 N/A LEU 46.A N ASN 42.A O no hydrogen 2.972 N/A LEU 47.A N VAL 43.A O no hydrogen 2.921 N/A THR 49.A N VAL 45.A O no hydrogen 3.212 N/A THR 49.A OG1 VAL 45.A O no hydrogen 2.574 N/A ALA 50.A N LEU 46.A O no hydrogen 2.815 N/A VAL 51.A N LEU 47.A O no hydrogen 2.897 N/A CYS 52.A N PRO 48.A O no hydrogen 2.813 N/A CYS 52.A SG PRO 48.A O no hydrogen 3.383 N/A LYS 53.A N THR 49.A O no hydrogen 2.861 N/A LYS 53.A NZ GLU 57.A OE2 no hydrogen 3.380 N/A ARG 54.A N ALA 50.A O no hydrogen 3.342 N/A ARG 54.A NH1 ALA 50.A O no hydrogen 3.193 N/A VAL 55.A N VAL 51.A O no hydrogen 2.945 N/A ALA 56.A N CYS 52.A O no hydrogen 2.737 N/A GLU 57.A N LYS 53.A O no hydrogen 3.138 N/A ARG 58.A N ARG 54.A O no hydrogen 3.248 N/A ARG 58.A N VAL 55.A O no hydrogen 3.156 N/A ARG 58.A NH1 GLU 242.A OE1 no hydrogen 2.880 N/A ARG 58.A NH1 GLU 242.A OE2 no hydrogen 3.225 N/A ARG 58.A NH2 GLU 242.A OE2 no hydrogen 2.813 N/A ILE 59.A N VAL 55.A O no hydrogen 3.010 N/A ALA 61.A N ALA 56.A O no hydrogen 2.974 N/A LEU 62.A N VAL 24.A O no hydrogen 3.057 N/A VAL 63.A N VAL 4.A O no hydrogen 2.505 N/A MET 64.A N MET 26.A O no hydrogen 2.639 N/A LEU 67.A N PRO 28.A O no hydrogen 2.916 N/A GLN 68.A NE2 GLY 66.A O no hydrogen 2.810 N/A TYR 71.A N ASN 122.A OD1 no hydrogen 2.686 N/A LYS 72.A NZ ASP 90.A OD1 no hydrogen 3.017 N/A SER 73.A N ASN 81.A OD1 no hydrogen 2.942 N/A SER 73.A OG GLU 33.A OE2 no hydrogen 3.108 N/A SER 73.A OG GLY 78.A O no hydrogen 2.952 N/A GLN 74.A N GLN 121.A OE1 no hydrogen 3.114 N/A GLN 74.A NE2 LYS 72.A O no hydrogen 3.036 N/A LYS 76.A NZ PRO 208.A O no hydrogen 3.128 N/A SER 77.A N GLN 74.A O no hydrogen 2.976 N/A GLY 78.A N GLN 74.A O no hydrogen 2.689 N/A GLY 79.A N GLN 75.A O no hydrogen 3.060 N/A GLY 80.A N SER 73.A OG no hydrogen 3.331 N/A THR 87.A N LEU 32.A O no hydrogen 2.944 N/A THR 87.A OG1 GLY 85.A O no hydrogen 2.887 N/A SER 88.A OG ASN 81.A OD1 no hydrogen 2.651 N/A LEU 89.A N GLY 70.A O no hydrogen 2.833 N/A THR 93.A N ASP 90.A O no hydrogen 3.079 N/A LEU 94.A N ASP 90.A O no hydrogen 3.284 N/A THR 95.A N GLY 91.A O no hydrogen 2.986 N/A THR 95.A OG1 GLY 91.A O no hydrogen 3.126 N/A THR 95.A OG1 PHE 125.A O no hydrogen 2.973 N/A GLY 96.A N ALA 92.A O no hydrogen 2.964 N/A THR 97.A N THR 93.A O no hydrogen 3.102 N/A THR 97.A OG1 THR 93.A O no hydrogen 2.838 N/A VAL 98.A N LEU 94.A O no hydrogen 3.160 N/A GLN 99.A N THR 95.A O no hydrogen 2.917 N/A GLN 99.A NE2 GLU 136.A OE2 no hydrogen 2.543 N/A ASP 100.A N GLY 96.A O no hydrogen 2.871 N/A ILE 101.A N THR 97.A O no hydrogen 3.056 N/A ILE 102.A N VAL 98.A O no hydrogen 3.087 N/A ARG 103.A N GLN 99.A O no hydrogen 2.977 N/A ARG 103.A NE GLU 136.A OE1 no hydrogen 2.779 N/A ARG 103.A NH1 ASP 100.A OD1 no hydrogen 3.440 N/A ARG 103.A NH1 GLU 136.A OE1 no hydrogen 3.399 N/A ARG 103.A NH1 GLU 136.A OE2 no hydrogen 2.670 N/A ARG 103.A NH2 ASP 100.A OD1 no hydrogen 2.737 N/A GLU 104.A N ASP 100.A O no hydrogen 3.021 N/A LEU 105.A N ILE 101.A O no hydrogen 2.928 N/A ALA 106.A N ILE 102.A O no hydrogen 3.118 N/A ARG 107.A N ARG 103.A O no hydrogen 3.268 N/A ARG 107.A NE GLU 104.A OE2 no hydrogen 3.132 N/A ARG 107.A NH2 GLU 104.A OE1 no hydrogen 3.170 N/A HIS 108.A N GLU 104.A O no hydrogen 3.072 N/A HIS 108.A ND1 TYR 14.A OH no hydrogen 2.884 N/A GLY 109.A N ALA 106.A O no hydrogen 2.993 N/A ALA 110.A N LEU 105.A O no hydrogen 3.004 N/A ARG 111.A NE ASP 144.A OD1 no hydrogen 3.111 N/A ARG 111.A NH1 ALA 106.A O no hydrogen 3.077 N/A ARG 111.A NH1 ALA 110.A O no hydrogen 2.654 N/A ARG 112.A NH1 ASP 22.A O no hydrogen 3.258 N/A ARG 112.A NH1 PRO 257.A O no hydrogen 3.336 N/A ARG 112.A NH2 PRO 257.A O no hydrogen 2.708 N/A LEU 113.A N LYS 146.A O no hydrogen 3.028 N/A VAL 114.A N LEU 25.A O no hydrogen 2.759 N/A LEU 115.A N VAL 148.A O no hydrogen 2.870 N/A MET 116.A N LEU 27.A O no hydrogen 2.880 N/A ASN 117.A N LEU 150.A O no hydrogen 3.021 N/A ASN 117.A ND2 HIS 119.A O no hydrogen 2.793 N/A GLY 118.A N VAL 29.A O no hydrogen 2.825 N/A HIS 119.A N ASN 117.A OD1 no hydrogen 3.081 N/A HIS 119.A ND1 ASP 44.A OD2 no hydrogen 3.087 N/A HIS 119.A NE2 TYR 71.A O no hydrogen 2.871 N/A ASN 122.A N HIS 119.A O no hydrogen 2.932 N/A ASN 122.A ND2 VAL 29.A O no hydrogen 3.653 N/A ASN 122.A ND2 GLY 30.A O no hydrogen 3.065 N/A ASN 122.A ND2 ASN 117.A OD1 no hydrogen 3.018 N/A SER 123.A OG TYR 120.A O no hydrogen 3.467 N/A PHE 125.A N ASN 122.A O no hydrogen 3.051 N/A ILE 126.A N ASN 122.A O no hydrogen 3.096 N/A ILE 126.A N SER 123.A O no hydrogen 3.174 N/A VAL 127.A N SER 123.A O no hydrogen 3.041 N/A GLU 128.A N MET 124.A O no hydrogen 3.007 N/A GLY 129.A N PHE 125.A O no hydrogen 3.142 N/A ILE 130.A N ILE 126.A O no hydrogen 2.926 N/A ASP 131.A N VAL 127.A O no hydrogen 2.977 N/A LEU 132.A N GLU 128.A O no hydrogen 2.967 N/A ALA 133.A N GLY 129.A O no hydrogen 3.065 N/A LEU 134.A N ILE 130.A O no hydrogen 2.873 N/A ARG 135.A N ASP 131.A O no hydrogen 3.071 N/A GLU 136.A N LEU 132.A O no hydrogen 3.161 N/A LEU 137.A N ALA 133.A O no hydrogen 2.864 N/A ARG 138.A N LEU 134.A O no hydrogen 3.048 N/A TYR 139.A N ARG 135.A O no hydrogen 3.258 N/A ALA 140.A N GLU 136.A O no hydrogen 3.136 N/A ALA 140.A N LEU 137.A O no hydrogen 2.964 N/A GLY 141.A N ARG 138.A O no hydrogen 2.880 N/A ILE 142.A N LEU 137.A O no hydrogen 2.815 N/A LYS 146.A N ARG 111.A O no hydrogen 2.811 N/A LYS 146.A NZ GLU 255.A O no hydrogen 2.808 N/A LYS 146.A NZ GLU 255.A OE1 no hydrogen 2.750 N/A VAL 148.A N LEU 113.A O no hydrogen 2.827 N/A LEU 150.A N LEU 115.A O no hydrogen 3.068 N/A ASP 154.A N SER 151.A O no hydrogen 2.955 N/A PHE 155.A N TYR 152.A O no hydrogen 3.172 N/A VAL 156.A N TRP 153.A O no hydrogen 3.174 N/A VAL 161.A N ASP 158.A OD2 no hydrogen 3.467 N/A ILE 162.A N ASP 158.A O no hydrogen 3.063 N/A GLN 163.A N PRO 159.A O no hydrogen 3.000 N/A GLN 163.A N ALA 160.A O no hydrogen 3.090 N/A GLN 164.A N ALA 160.A O no hydrogen 3.342 N/A TYR 166.A N ILE 162.A O no hydrogen 2.825 N/A TYR 166.A OH GLU 176.A OE1 no hydrogen 2.596 N/A GLY 169.A N TYR 166.A O no hydrogen 2.953 N/A HIS 177.A NE2 GLN 34.A O no hydrogen 2.928 N/A GLY 178.A N GLU 182.A OE1 no hydrogen 3.056 N/A PHE 181.A N GLU 176.A OE2 no hydrogen 2.758 N/A THR 183.A N GLY 179.A O no hydrogen 3.227 N/A THR 183.A OG1 HIS 38.A NE2 no hydrogen 3.055 N/A THR 183.A OG1 GLY 179.A O no hydrogen 2.637 N/A SER 184.A N VAL 180.A O no hydrogen 3.044 N/A SER 184.A OG VAL 180.A O no hydrogen 2.864 N/A SER 184.A OG SER 233.A O no hydrogen 3.497 N/A LEU 185.A N PHE 181.A O no hydrogen 3.384 N/A MET 186.A N GLU 182.A O no hydrogen 3.086 N/A LEU 187.A N THR 183.A O no hydrogen 2.848 N/A ALA 188.A N SER 184.A O no hydrogen 3.083 N/A LEU 189.A N LEU 185.A O no hydrogen 2.832 N/A TYR 190.A N MET 186.A O no hydrogen 2.518 N/A LEU 193.A N TYR 190.A O no hydrogen 2.972 N/A VAL 194.A N PRO 191.A O no hydrogen 2.908 N/A ASP 195.A N HIS 38.A O no hydrogen 3.061 N/A ASP 197.A N ASP 195.A OD1 no hydrogen 3.222 N/A ARG 198.A N ASP 195.A O no hydrogen 2.949 N/A VAL 199.A N LEU 196.A O no hydrogen 2.979 N/A HIS 202.A ND1 PRO 203.A O no hydrogen 3.234 N/A HIS 202.A NE2 THR 225.A OG1 no hydrogen 2.788 N/A ALA 205.A N LEU 226.A O no hydrogen 2.815 N/A ARG 219.A N ASP 216.A O no hydrogen 2.933 N/A ARG 219.A NE ASP 216.A OD2 no hydrogen 3.325 N/A THR 220.A N PRO 217.A O no hydrogen 3.334 N/A THR 220.A OG1 PRO 221.A O no hydrogen 3.432 N/A GLY 224.A N PRO 221.A O no hydrogen 3.291 N/A THR 225.A OG1 HIS 202.A NE2 no hydrogen 2.788 N/A LEU 226.A N HIS 177.A O no hydrogen 3.331 N/A SER 227.A OG ILE 175.A O no hydrogen 2.881 N/A SER 228.A OG ASP 201.A OD1 no hydrogen 2.617 N/A LYS 230.A N SER 228.A OG no hydrogen 3.092 N/A ALA 232.A N ALA 229.A O no hydrogen 2.794 N/A SER 233.A N SER 184.A OG no hydrogen 3.275 N/A ARG 234.A NE GLU 235.A OE2 no hydrogen 3.314 N/A ARG 234.A NH1 GLU 235.A OE2 no hydrogen 2.951 N/A LYS 236.A N SER 233.A OG no hydrogen 2.898 N/A LYS 236.A NZ LEU 165.A O no hydrogen 2.998 N/A LYS 236.A NZ THR 231.A O no hydrogen 2.879 N/A GLY 237.A N SER 233.A O no hydrogen 3.016 N/A GLU 238.A N ARG 234.A O no hydrogen 3.055 N/A LEU 239.A N GLU 235.A O no hydrogen 3.220 N/A ILE 240.A N LYS 236.A O no hydrogen 3.008 N/A LEU 241.A N GLY 237.A O no hydrogen 2.970 N/A GLU 242.A N GLU 238.A O no hydrogen 3.361 N/A VAL 243.A N LEU 239.A O no hydrogen 3.272 N/A CYS 244.A N ILE 240.A O no hydrogen 3.024 N/A CYS 244.A SG TYR 152.A O no hydrogen 3.469 N/A CYS 244.A SG ILE 240.A O no hydrogen 3.309 N/A VAL 245.A N LEU 241.A O no hydrogen 2.892 N/A GLN 246.A N GLU 242.A O no hydrogen 2.978 N/A GLN 246.A NE2 GLU 242.A OE2 no hydrogen 2.602 N/A GLY 247.A N VAL 243.A O no hydrogen 2.941 N/A ILE 248.A N CYS 244.A O no hydrogen 2.756 N/A ALA 249.A N VAL 245.A O no hydrogen 2.818 N/A ASP 250.A N GLN 246.A O no hydrogen 3.020 N/A ALA 251.A N GLY 247.A O no hydrogen 2.973 N/A ILE 252.A N ILE 248.A O no hydrogen 2.840 N/A ARG 253.A N ALA 249.A O no hydrogen 3.135 N/A GLU 254.A N ASP 250.A O no hydrogen 3.080 N/A GLU 255.A N ALA 251.A O no hydrogen 2.946 N/A PHE 256.A N ILE 252.A O no hydrogen 2.672 N/A THR 259.A N ASP 22.A OD2 no hydrogen 3.341 N/A