Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLY 197.A O no hydrogen 2.952 N/A LYS 5.A NZ SER 3.A O no hydrogen 3.506 N/A LYS 5.A NZ SER 3.A OG no hydrogen 2.642 N/A LYS 5.A NZ ILE 172.A O no hydrogen 3.270 N/A LYS 5.A NZ GLU 178.A OE1 no hydrogen 2.607 N/A LYS 5.A NZ THR 199.A OG1 no hydrogen 3.193 N/A THR 6.A N ASP 9.A OD2 no hydrogen 2.951 N/A THR 6.A OG1 GLU 8.A OE1 no hydrogen 2.336 N/A ASP 9.A N THR 6.A OG1 no hydrogen 3.232 N/A ILE 10.A N THR 6.A O no hydrogen 2.879 N/A GLU 11.A N PRO 7.A O no hydrogen 2.811 N/A LYS 12.A N GLU 8.A O no hydrogen 3.033 N/A MET 13.A N ASP 9.A O no hydrogen 2.803 N/A ARG 14.A N ILE 10.A O no hydrogen 2.637 N/A ARG 14.A NE GLU 245.A OE1 no hydrogen 3.223 N/A ARG 14.A NE GLU 245.A OE2 no hydrogen 3.018 N/A ARG 14.A NH2 GLU 245.A OE1 no hydrogen 2.711 N/A VAL 15.A N GLU 11.A O no hydrogen 3.331 N/A VAL 15.A N LYS 12.A O no hydrogen 3.131 N/A ALA 16.A N LYS 12.A O no hydrogen 3.073 N/A GLY 17.A N MET 13.A O no hydrogen 2.776 N/A ARG 18.A N ARG 14.A O no hydrogen 3.122 N/A ARG 18.A NH2 GLU 25.A OE1 no hydrogen 3.109 N/A LEU 19.A N VAL 15.A O no hydrogen 3.032 N/A ALA 20.A N ALA 16.A O no hydrogen 3.084 N/A ALA 21.A N GLY 17.A O no hydrogen 2.991 N/A GLU 22.A N ARG 18.A O no hydrogen 2.988 N/A VAL 23.A N LEU 19.A O no hydrogen 3.217 N/A GLU 25.A N ALA 21.A O no hydrogen 2.837 N/A MET 26.A N GLU 22.A O no hydrogen 2.644 N/A ILE 27.A N VAL 23.A O no hydrogen 3.027 N/A TYR 30.A N ILE 27.A O no hydrogen 2.932 N/A VAL 31.A N GLU 28.A O no hydrogen 2.828 N/A LYS 32.A NZ PRO 29.A O no hydrogen 2.984 N/A GLY 34.A N LEU 87.A O no hydrogen 2.514 N/A VAL 35.A N LYS 32.A O no hydrogen 3.121 N/A THR 37.A N LYS 85.A O no hydrogen 2.827 N/A THR 37.A OG1 ASP 82.A O no hydrogen 3.013 N/A GLY 38.A N ASP 82.A O no hydrogen 3.070 N/A GLU 39.A N SER 36.A OG no hydrogen 3.048 N/A LEU 40.A N SER 36.A O no hydrogen 3.486 N/A ASP 41.A N THR 37.A O no hydrogen 3.039 N/A ARG 42.A N GLY 38.A O no hydrogen 3.117 N/A ARG 42.A NH1 ASP 83.A OD2 no hydrogen 3.412 N/A ARG 42.A NH2 ASP 83.A OD2 no hydrogen 3.031 N/A ILE 43.A N GLU 39.A O no hydrogen 2.899 N/A CYS 44.A N LEU 40.A O no hydrogen 2.842 N/A CYS 44.A SG LEU 40.A O no hydrogen 3.424 N/A ASN 45.A N ASP 41.A O no hydrogen 2.929 N/A ASN 45.A ND2 SER 67.A OG no hydrogen 2.929 N/A ASP 46.A N ARG 42.A O no hydrogen 3.096 N/A TYR 47.A N ILE 43.A O no hydrogen 3.168 N/A TYR 47.A OH GLU 22.A OE1 no hydrogen 2.612 N/A ILE 48.A N CYS 44.A O no hydrogen 3.094 N/A VAL 49.A N ASN 45.A O no hydrogen 2.875 N/A ASN 50.A N ASP 46.A O no hydrogen 2.706 N/A GLU 51.A N TYR 47.A O no hydrogen 2.839 N/A GLN 52.A N TYR 47.A O no hydrogen 2.683 N/A GLN 52.A NE2 LEU 19.A O no hydrogen 2.989 N/A ALA 54.A N ILE 48.A O no hydrogen 2.805 N/A VAL 55.A N ILE 100.A O no hydrogen 3.123 N/A SER 56.A OG SER 67.A O no hydrogen 2.890 N/A ALA 57.A N THR 98.A O no hydrogen 2.946 N/A CYS 58.A N SER 56.A OG no hydrogen 3.234 N/A GLY 60.A N TYR 64.A O no hydrogen 2.607 N/A TYR 61.A N CYS 58.A O no hydrogen 3.004 N/A TYR 61.A OH HIS 177.A ND1 no hydrogen 2.888 N/A GLY 63.A N GLY 60.A O no hydrogen 2.804 N/A TYR 64.A N TYR 61.A O no hydrogen 2.926 N/A TYR 64.A OH VAL 68.A O no hydrogen 3.273 N/A SER 67.A N ASP 41.A OD1 no hydrogen 2.927 N/A VAL 68.A N ASP 41.A OD1 no hydrogen 3.127 N/A CYS 69.A N ASP 96.A O no hydrogen 3.105 N/A CYS 69.A SG TYR 64.A OH no hydrogen 3.620 N/A ILE 70.A N GLY 79.A O no hydrogen 3.019 N/A SER 71.A N ASN 94.A O no hydrogen 3.022 N/A ASN 73.A N ILE 92.A O no hydrogen 2.995 N/A ASN 73.A ND2 ASP 91.A OD1 no hydrogen 2.963 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.707 N/A VAL 75.A N ILE 72.A O no hydrogen 2.814 N/A VAL 76.A N VAL 222.A O no hydrogen 2.802 N/A GLY 79.A N SER 71.A OG no hydrogen 3.242 N/A ASP 82.A N THR 37.A OG1 no hydrogen 2.784 N/A ALA 84.A N ASP 82.A OD1 no hydrogen 3.036 N/A LYS 85.A N ASP 82.A O no hydrogen 3.192 N/A LEU 87.A N VAL 35.A O no hydrogen 2.555 N/A LYS 88.A N ASP 91.A OD2 no hydrogen 2.743 N/A GLY 90.A N VAL 114.A O no hydrogen 2.354 N/A ASP 91.A N LYS 88.A O no hydrogen 3.111 N/A ILE 92.A N ASN 73.A OD1 no hydrogen 3.163 N/A VAL 93.A N PHE 112.A O no hydrogen 2.709 N/A ASN 94.A N SER 71.A O no hydrogen 2.765 N/A ASN 94.A ND2 SER 109.A OG no hydrogen 3.140 N/A ASN 94.A ND2 GLN 232.A O no hydrogen 2.796 N/A ILE 95.A N LYS 110.A O no hydrogen 2.857 N/A ASP 96.A N CYS 69.A O no hydrogen 2.764 N/A VAL 97.A N THR 108.A O no hydrogen 2.756 N/A THR 98.A OG1 ASP 107.A OD1 no hydrogen 2.963 N/A VAL 99.A N GLY 106.A O no hydrogen 3.069 N/A ILE 100.A N VAL 55.A O no hydrogen 2.712 N/A LYS 101.A N PHE 104.A O no hydrogen 3.037 N/A PHE 104.A N LYS 101.A O no hydrogen 3.211 N/A HIS 105.A N GLY 173.A O no hydrogen 2.834 N/A HIS 105.A ND1 GLY 173.A O no hydrogen 2.615 N/A GLY 106.A N VAL 99.A O no hydrogen 3.060 N/A ASP 107.A N THR 236.A OG1 no hydrogen 3.310 N/A THR 108.A N VAL 97.A O no hydrogen 2.999 N/A THR 108.A OG1 GLU 234.A O no hydrogen 2.831 N/A SER 109.A N GLU 234.A O no hydrogen 3.289 N/A LYS 110.A N ILE 95.A O no hydrogen 3.316 N/A LYS 110.A NZ ASP 252.A OD2 no hydrogen 3.174 N/A PHE 112.A N VAL 93.A O no hydrogen 2.621 N/A VAL 114.A N ASP 91.A O no hydrogen 2.584 N/A LYS 116.A N ASP 89.A OD1 no hydrogen 3.092 N/A GLU 122.A N THR 118.A O no hydrogen 3.042 N/A ARG 123.A N ILE 119.A O no hydrogen 2.837 N/A ARG 123.A NH1 GLU 159.A O no hydrogen 3.484 N/A ARG 123.A NH2 GLU 159.A O no hydrogen 2.952 N/A ARG 123.A NH2 GLU 159.A OE1 no hydrogen 2.922 N/A LEU 124.A N MET 120.A O no hydrogen 2.759 N/A CYS 125.A N GLY 121.A O no hydrogen 3.087 N/A CYS 125.A SG GLY 121.A O no hydrogen 3.480 N/A ARG 126.A N GLU 122.A O no hydrogen 3.182 N/A ARG 126.A NH1 GLU 122.A OE2 no hydrogen 3.091 N/A ILE 127.A N ARG 123.A O no hydrogen 3.027 N/A THR 128.A N LEU 124.A O no hydrogen 3.065 N/A THR 128.A OG1 LEU 124.A O no hydrogen 2.647 N/A GLN 129.A N CYS 125.A O no hydrogen 2.910 N/A GLU 130.A N ARG 126.A O no hydrogen 2.963 N/A SER 131.A N ILE 127.A O no hydrogen 2.770 N/A SER 131.A OG THR 128.A O no hydrogen 3.022 N/A LEU 132.A N THR 128.A O no hydrogen 3.263 N/A LEU 132.A N GLN 129.A O no hydrogen 3.149 N/A TYR 133.A N GLN 129.A O no hydrogen 2.977 N/A TYR 133.A OH ASP 253.A OD1 no hydrogen 2.586 N/A LEU 134.A N GLU 130.A O no hydrogen 2.808 N/A ALA 135.A N SER 131.A O no hydrogen 3.384 N/A LEU 136.A N LEU 132.A O no hydrogen 2.883 N/A ARG 137.A N TYR 133.A O no hydrogen 2.930 N/A MET 138.A N ALA 135.A O no hydrogen 3.042 N/A VAL 139.A N ALA 135.A O no hydrogen 3.356 N/A VAL 139.A N LEU 136.A O no hydrogen 3.326 N/A LYS 140.A NZ GLU 263.A OE2 no hydrogen 2.868 N/A GLY 142.A N LEU 194.A O no hydrogen 2.789 N/A ILE 143.A N LYS 140.A O no hydrogen 3.526 N/A ASN 144.A N GLU 147.A OE2 no hydrogen 3.028 N/A LEU 145.A N VAL 192.A O no hydrogen 2.881 N/A ARG 146.A N ASN 144.A OD1 no hydrogen 2.944 N/A ARG 146.A NE ASP 186.A OD1 no hydrogen 2.619 N/A ARG 146.A NH2 ASP 186.A OD1 no hydrogen 3.303 N/A ARG 146.A NH2 ASP 186.A OD2 no hydrogen 3.148 N/A GLU 147.A N ASN 144.A O no hydrogen 2.945 N/A ILE 148.A N LEU 145.A O no hydrogen 3.147 N/A GLY 149.A N LEU 145.A O no hydrogen 3.183 N/A ALA 150.A N ARG 146.A O no hydrogen 2.927 N/A ALA 151.A N GLU 147.A O no hydrogen 2.990 N/A ILE 152.A N ILE 148.A O no hydrogen 3.055 N/A GLN 153.A N GLY 149.A O no hydrogen 3.148 N/A GLN 153.A NE2 GLU 157.A OE2 no hydrogen 3.463 N/A LYS 154.A N ALA 150.A O no hydrogen 2.914 N/A PHE 155.A N ALA 151.A O no hydrogen 3.008 N/A VAL 156.A N ILE 152.A O no hydrogen 2.900 N/A GLU 157.A N GLN 153.A O no hydrogen 2.897 N/A ALA 158.A N LYS 154.A O no hydrogen 3.021 N/A GLU 159.A N VAL 156.A O no hydrogen 3.200 N/A GLY 160.A N GLU 157.A O no hydrogen 2.856 N/A PHE 161.A N VAL 156.A O no hydrogen 3.097 N/A SER 162.A N ASN 207.A O no hydrogen 2.937 N/A SER 162.A OG ASN 207.A O no hydrogen 3.533 N/A SER 162.A OG GLY 209.A O no hydrogen 2.774 N/A VAL 164.A N MET 205.A O no hydrogen 2.990 N/A ARG 165.A NH1 VAL 163.A O no hydrogen 2.966 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.522 N/A GLY 169.A N VAL 182.A O no hydrogen 2.965 N/A HIS 170.A N THR 201.A OG1 no hydrogen 2.966 N/A HIS 170.A ND1 GLY 171.A O no hydrogen 2.992 N/A HIS 170.A NE2 ASP 107.A OD2 no hydrogen 3.052 N/A GLY 171.A N PRO 180.A O no hydrogen 2.991 N/A ILE 172.A N THR 199.A O no hydrogen 3.214 N/A GLY 173.A N GLY 175.A O no hydrogen 2.928 N/A GLY 175.A N GLU 178.A OE2 no hydrogen 2.768 N/A HIS 177.A ND1 TYR 61.A OH no hydrogen 2.888 N/A GLU 178.A N GLY 171.A O no hydrogen 2.949 N/A VAL 182.A N GLY 169.A O no hydrogen 3.070 N/A ASP 186.A N GLN 153.A OE1 no hydrogen 2.735 N/A GLU 189.A N SER 187.A OG no hydrogen 2.959 N/A THR 190.A N SER 187.A O no hydrogen 2.985 N/A VAL 192.A N ASN 144.A OD1 no hydrogen 3.262 N/A LEU 194.A N ILE 143.A O no hydrogen 2.902 N/A GLY 197.A N VAL 239.A O no hydrogen 2.857 N/A MET 198.A N LYS 195.A O no hydrogen 3.090 N/A THR 199.A OG1 ILE 172.A O no hydrogen 2.613 N/A PHE 200.A N ILE 237.A O no hydrogen 3.111 N/A THR 201.A N HIS 170.A O no hydrogen 2.689 N/A THR 201.A OG1 GLU 203.A OE2 no hydrogen 3.171 N/A THR 201.A OG1 GLU 234.A OE2 no hydrogen 3.397 N/A ILE 202.A N HIS 235.A O no hydrogen 3.319 N/A GLU 203.A N HIS 184.A NE2 no hydrogen 2.898 N/A VAL 206.A N ALA 231.A O no hydrogen 2.755 N/A ASN 207.A N SER 162.A O no hydrogen 2.655 N/A ASN 207.A ND2 LYS 210.A O no hydrogen 2.960 N/A ALA 208.A N LEU 229.A O no hydrogen 3.035 N/A LYS 210.A N ASP 226.A OD2 no hydrogen 2.828 N/A LYS 210.A NZ ASP 226.A OD2 no hydrogen 2.656 N/A ARG 214.A N LYS 223.A O no hydrogen 2.716 N/A MET 216.A N THR 221.A O no hydrogen 2.837 N/A GLY 219.A N MET 216.A O no hydrogen 2.875 N/A TRP 220.A N ASP 218.A OD1 no hydrogen 2.583 N/A THR 221.A N ASP 218.A OD1 no hydrogen 2.678 N/A THR 221.A OG1 ASP 218.A OD1 no hydrogen 3.195 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.424 N/A VAL 222.A N CYS 77.A O no hydrogen 3.245 N/A LYS 223.A N ARG 214.A O no hydrogen 2.749 N/A THR 224.A N GLU 74.A O no hydrogen 3.241 N/A THR 224.A OG1 SER 228.A O no hydrogen 2.834 N/A LYS 225.A N GLU 212.A O no hydrogen 2.637 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.921 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.739 N/A SER 230.A N ASN 73.A O no hydrogen 3.020 N/A SER 230.A OG VAL 206.A O no hydrogen 3.186 N/A SER 230.A OG ASN 207.A OD1 no hydrogen 2.812 N/A ALA 231.A N VAL 206.A O no hydrogen 2.944 N/A GLN 232.A NE2 GLU 203.A O no hydrogen 3.080 N/A GLU 234.A N SER 109.A O no hydrogen 3.187 N/A HIS 235.A ND1 THR 248.A OG1 no hydrogen 2.506 N/A HIS 235.A NE2 ASP 253.A OD1 no hydrogen 3.053 N/A THR 236.A N THR 248.A OG1 no hydrogen 3.047 N/A THR 236.A OG1 ASP 107.A O no hydrogen 2.936 N/A ILE 237.A N PHE 200.A O no hydrogen 3.105 N/A VAL 238.A N GLU 245.A O no hydrogen 2.741 N/A VAL 239.A N MET 198.A O no hydrogen 2.692 N/A THR 240.A N GLY 243.A O no hydrogen 2.844 N/A ASN 242.A N THR 240.A OG1 no hydrogen 3.248 N/A CYS 244.A N ILE 259.A O no hydrogen 3.044 N/A CYS 244.A SG LEU 136.A O no hydrogen 3.762 N/A GLU 245.A N VAL 238.A O no hydrogen 3.016 N/A ILE 246.A N ALA 257.A O no hydrogen 2.950 N/A LEU 247.A N THR 236.A O no hydrogen 2.709 N/A THR 248.A OG1 HIS 235.A ND1 no hydrogen 2.506 N/A ARG 250.A N ASP 253.A OD2 no hydrogen 2.873 N/A ARG 250.A NE ASP 252.A OD1 no hydrogen 2.840 N/A ARG 250.A NE ASP 252.A OD2 no hydrogen 3.228 N/A ARG 250.A NH2 ASP 252.A OD2 no hydrogen 2.871 N/A LYS 251.A N GLU 25.A OE2 no hydrogen 2.453 N/A ASP 253.A N ARG 250.A O no hydrogen 3.133 N/A THR 254.A N TYR 133.A OH no hydrogen 2.975 N/A ILE 259.A N CYS 244.A O no hydrogen 2.974 N/A HIS 261.A N ASN 242.A O no hydrogen 2.926 N/A HIS 261.A ND1 GLU 263.A OE2 no hydrogen 2.845 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.772 N/A LEU 264.A N HIS 261.A O no hydrogen 3.146 N/A