Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3peq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N ASP 2.A O no hydrogen 3.099 N/A SER 7.A N LEU 3.A O no hydrogen 2.988 N/A SER 7.A OG LEU 3.A O no hydrogen 2.911 N/A LYS 8.A N LYS 4.A O no hydrogen 3.272 N/A HIS 9.A N ALA 5.A O no hydrogen 3.155 N/A ILE 10.A N PHE 6.A O no hydrogen 3.333 N/A TYR 11.A N SER 7.A O no hydrogen 2.805 N/A ASN 12.A N LYS 8.A O no hydrogen 2.788 N/A ALA 13.A N HIS 9.A O no hydrogen 3.016 N/A TYR 14.A N ILE 10.A O no hydrogen 2.958 N/A TYR 14.A OH ASP 161.A OD1 no hydrogen 2.552 N/A LEU 15.A N TYR 11.A O no hydrogen 2.969 N/A LYS 16.A N ASN 12.A O no hydrogen 2.864 N/A ASN 17.A N TYR 14.A O no hydrogen 3.136 N/A ASN 17.A ND2 ALA 13.A O no hydrogen 2.737 N/A ASN 17.A ND2 SER 82.A OG no hydrogen 2.935 N/A PHE 18.A N TYR 14.A O no hydrogen 3.052 N/A ASN 19.A N GLU 75.A OE2 no hydrogen 2.778 N/A ASN 19.A ND2 GLU 75.A OE2 no hydrogen 2.815 N/A LYS 22.A N ASP 161.A OD1 no hydrogen 2.807 N/A LYS 22.A NZ LEU 159.A O no hydrogen 3.069 N/A LYS 23.A N ASP 161.A OD2 no hydrogen 2.914 N/A LYS 24.A N THR 21.A OG1 no hydrogen 2.930 N/A ALA 25.A N THR 21.A O no hydrogen 2.889 N/A ARG 26.A N LYS 22.A O no hydrogen 2.857 N/A ARG 26.A NE SER 112.A O no hydrogen 3.268 N/A ARG 26.A NH1 SER 112.A O no hydrogen 2.915 N/A ARG 26.A NH1 VAL 114.A O no hydrogen 2.583 N/A SER 27.A N LYS 23.A O no hydrogen 3.403 N/A SER 27.A OG LYS 23.A O no hydrogen 3.530 N/A SER 27.A OG LYS 24.A O no hydrogen 2.795 N/A ILE 28.A N LYS 24.A O no hydrogen 3.174 N/A LEU 29.A N ALA 25.A O no hydrogen 2.971 N/A THR 30.A OG1 ARG 26.A O no hydrogen 3.215 N/A PHE 33.A N SER 125.A O no hydrogen 3.020 N/A ILE 35.A N PHE 127.A O no hydrogen 2.808 N/A HIS 36.A N THR 40.A OG1 no hydrogen 3.013 N/A ASP 37.A N THR 40.A OG1 no hydrogen 3.088 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.963 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.068 N/A THR 40.A OG1 ASP 37.A OD1 no hydrogen 2.556 N/A LEU 41.A N ASP 37.A O no hydrogen 3.069 N/A TRP 42.A N ILE 38.A O no hydrogen 2.887 N/A GLN 43.A N GLU 39.A O no hydrogen 3.039 N/A ALA 44.A N THR 40.A O no hydrogen 2.956 N/A GLU 45.A N LEU 41.A O no hydrogen 3.282 N/A LYS 46.A N TRP 42.A O no hydrogen 3.255 N/A VAL 49.A N ALA 44.A O no hydrogen 3.180 N/A TRP 50.A N ALA 44.A O no hydrogen 3.408 N/A HIS 60.A N GLU 56.A O no hydrogen 2.833 N/A HIS 60.A NE2 GLU 45.A OE2 no hydrogen 2.818 N/A VAL 61.A N ILE 57.A O no hydrogen 3.047 N/A PHE 62.A N SER 58.A O no hydrogen 2.931 N/A TYR 63.A N VAL 59.A O no hydrogen 2.730 N/A ARG 64.A N HIS 60.A O no hydrogen 3.046 N/A ARG 64.A NE GLU 45.A OE1 no hydrogen 3.340 N/A ARG 64.A NE GLU 45.A OE2 no hydrogen 2.702 N/A ARG 64.A NH2 GLU 45.A OE1 no hydrogen 2.563 N/A CYS 65.A N VAL 61.A O no hydrogen 2.957 N/A CYS 65.A SG.B VAL 61.A O no hydrogen 3.097 N/A GLN 66.A N PHE 62.A O no hydrogen 3.169 N/A GLN 66.A NE2 SER 244.A O no hydrogen 2.977 N/A CYS 67.A N TYR 63.A O no hydrogen 3.210 N/A CYS 67.A SG TYR 63.A O no hydrogen 3.543 N/A THR 68.A N ARG 64.A O no hydrogen 3.158 N/A THR 68.A OG1 ARG 64.A O no hydrogen 2.846 N/A THR 69.A N CYS 65.A O no hydrogen 2.865 N/A THR 69.A OG1 CYS 65.A O no hydrogen 2.686 N/A VAL 70.A N GLN 66.A O no hydrogen 2.795 N/A GLU 71.A N CYS 67.A O no hydrogen 3.084 N/A THR 72.A N THR 68.A O no hydrogen 2.864 N/A THR 72.A OG1 THR 68.A O no hydrogen 2.855 N/A VAL 73.A N THR 69.A O no hydrogen 2.884 N/A ARG 74.A N VAL 70.A O no hydrogen 3.137 N/A GLU 75.A N GLU 71.A O no hydrogen 3.129 N/A LEU 76.A N THR 72.A O no hydrogen 2.897 N/A THR 77.A N VAL 73.A O no hydrogen 2.878 N/A THR 77.A OG1 VAL 73.A O no hydrogen 2.797 N/A GLU 78.A N ARG 74.A O no hydrogen 3.072 N/A PHE 79.A N GLU 75.A O no hydrogen 2.852 N/A ALA 80.A N LEU 76.A O no hydrogen 2.941 N/A LYS 81.A N THR 77.A O no hydrogen 2.985 N/A LYS 81.A NZ GLU 78.A OE1 no hydrogen 3.514 N/A SER 82.A N GLU 78.A O no hydrogen 2.957 N/A SER 82.A N PHE 79.A O no hydrogen 3.018 N/A SER 82.A OG GLU 78.A O no hydrogen 2.940 N/A ILE 83.A N ALA 80.A O no hydrogen 2.986 N/A SER 87.A N ILE 83.A O no hydrogen 3.083 N/A SER 87.A OG LYS 81.A O no hydrogen 2.749 N/A SER 88.A N PRO 84.A O no hydrogen 3.058 N/A SER 88.A OG SER 85.A O no hydrogen 2.960 N/A LEU 89.A N PHE 86.A O no hydrogen 3.200 N/A GLN 94.A N PHE 90.A O no hydrogen 3.176 N/A GLN 94.A NE2 LEU 89.A O no hydrogen 2.732 N/A VAL 95.A N LEU 91.A O no hydrogen 3.001 N/A THR 96.A N ASN 92.A O no hydrogen 2.920 N/A THR 96.A OG1 ASN 92.A O no hydrogen 3.230 N/A LEU 97.A N ASP 93.A O no hydrogen 2.897 N/A LEU 98.A N GLN 94.A O no hydrogen 3.042 N/A LYS 99.A N VAL 95.A O no hydrogen 2.729 N/A LYS 99.A NZ LYS 254.A O no hydrogen 2.829 N/A TYR 100.A N THR 96.A O no hydrogen 3.116 N/A GLY 101.A N LEU 98.A O no hydrogen 3.317 N/A VAL 102.A N LEU 98.A O no hydrogen 3.007 N/A ALA 105.A N GLY 101.A O no hydrogen 3.121 N/A ILE 106.A N VAL 102.A O no hydrogen 2.695 N/A PHE 107.A N HIS 103.A O no hydrogen 2.968 N/A ALA 108.A N GLU 104.A O no hydrogen 3.126 N/A MET 109.A N ALA 105.A O no hydrogen 2.984 N/A LEU 110.A N ILE 106.A O no hydrogen 2.918 N/A SER 112.A N MET 109.A O no hydrogen 2.958 N/A ILE 113.A N LEU 110.A O no hydrogen 2.996 N/A VAL 114.A N ALA 111.A O no hydrogen 3.242 N/A ASN 115.A N GLY 118.A O no hydrogen 2.978 N/A ASP 117.A N ASN 115.A OD1 no hydrogen 2.743 N/A GLY 118.A N ASN 115.A O no hydrogen 3.246 N/A GLY 118.A N ASN 115.A OD1 no hydrogen 3.115 N/A LEU 119.A N VAL 128.A O no hydrogen 3.001 N/A LEU 120.A N ILE 113.A O no hydrogen 3.026 N/A VAL 121.A N GLY 126.A O no hydrogen 2.793 N/A SER 125.A N ALA 122.A O no hydrogen 3.021 N/A SER 125.A OG ALA 122.A O no hydrogen 3.267 N/A GLY 126.A N VAL 121.A O no hydrogen 2.977 N/A PHE 127.A N PHE 33.A O no hydrogen 2.929 N/A VAL 128.A N LEU 119.A O no hydrogen 2.918 N/A THR 129.A N ILE 35.A O no hydrogen 2.971 N/A ARG 130.A N ASP 117.A O no hydrogen 2.678 N/A ARG 130.A NH1 LYS 116.A O no hydrogen 2.995 N/A ARG 130.A NH2 GLU 145.A OE2 no hydrogen 2.679 N/A PHE 132.A N THR 129.A OG1 no hydrogen 3.100 N/A LEU 133.A N THR 129.A O no hydrogen 3.223 N/A ARG 134.A N ARG 130.A O no hydrogen 2.965 N/A ARG 134.A NH1 GLU 131.A OE1.A no hydrogen 2.904 N/A ARG 134.A NH2 GLU 145.A OE2 no hydrogen 3.556 N/A SER 135.A N PHE 132.A O no hydrogen 3.093 N/A SER 135.A OG PHE 132.A O no hydrogen 2.602 N/A LEU 136.A N LEU 133.A O no hydrogen 3.330 N/A ARG 137.A N SER 58.A OG no hydrogen 3.265 N/A ARG 137.A NE GLU 56.A OE1 no hydrogen 2.729 N/A ARG 137.A NH1 GLU 56.A OE2 no hydrogen 3.257 N/A ARG 137.A NH1 GLU 240.A OE1 no hydrogen 2.686 N/A ARG 137.A NH2 LYS 138.A O no hydrogen 3.019 N/A ARG 137.A NH2 GLU 240.A OE1 no hydrogen 3.433 N/A ARG 137.A NH2 GLU 240.A OE2 no hydrogen 3.185 N/A PHE 140.A N ARG 137.A O no hydrogen 3.154 N/A SER 141.A OG LEU 136.A O no hydrogen 3.334 N/A ILE 143.A N PRO 139.A O no hydrogen 3.043 N/A ILE 144.A N PHE 140.A O no hydrogen 3.121 N/A GLU 145.A N SER 141.A O no hydrogen 3.222 N/A LYS 147.A N ILE 144.A O no hydrogen 3.088 N/A LYS 147.A NZ ILE 143.A O no hydrogen 2.903 N/A LYS 147.A NZ HIS 229.A ND1 no hydrogen 2.836 N/A GLU 149.A N GLU 145.A O no hydrogen 3.169 N/A PHE 150.A N PRO 146.A O no hydrogen 2.864 N/A ALA 151.A N LYS 147.A O no hydrogen 2.889 N/A VAL 152.A N PHE 148.A O no hydrogen 3.005 N/A LYS 153.A N GLU 149.A O no hydrogen 3.533 N/A PHE 154.A N PHE 150.A O no hydrogen 3.029 N/A ASN 155.A N ALA 151.A O no hydrogen 2.952 N/A ASN 155.A ND2 ALA 111.A O no hydrogen 2.972 N/A ALA 156.A N LYS 153.A O no hydrogen 3.266 N/A LEU 157.A N PHE 154.A O no hydrogen 3.089 N/A GLU 158.A N ASN 155.A O no hydrogen 3.140 N/A ASP 160.A N ASP 163.A OD2 no hydrogen 2.831 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 2.638 N/A SER 162.A OG HIS 200.A NE2 no hydrogen 2.992 N/A ASP 163.A N ASP 160.A OD1 no hydrogen 2.951 N/A LEU 164.A N ASP 160.A O no hydrogen 2.987 N/A ALA 165.A N ASP 161.A O no hydrogen 2.805 N/A PHE 167.A N ASP 163.A O no hydrogen 3.090 N/A ILE 168.A N LEU 164.A O no hydrogen 2.815 N/A ALA 169.A N ALA 165.A O no hydrogen 3.173 N/A ALA 170.A N LEU 166.A O no hydrogen 2.975 N/A ILE 171.A N PHE 167.A O no hydrogen 3.110 N/A ILE 172.A N ILE 168.A O no hydrogen 3.016 N/A LEU 173.A N ALA 169.A O no hydrogen 2.962 N/A CYS 174.A SG GLN 190.A OE1 no hydrogen 3.905 N/A ARG 177.A NH1 GLU 104.A OE2 no hydrogen 2.874 N/A ARG 177.A NH2 GLU 104.A OE1 no hydrogen 2.978 N/A ARG 177.A NH2 ILE 171.A O no hydrogen 2.963 N/A LEU 180.A N ARG 177.A O no hydrogen 3.431 N/A MET 181.A N ASP 93.A OD1 no hydrogen 2.818 N/A ASN 182.A N ASP 93.A OD2 no hydrogen 2.984 N/A ARG 185.A N ASN 182.A OD1 no hydrogen 3.233 N/A VAL 186.A N ASN 182.A O no hydrogen 3.385 N/A GLU 187.A N VAL 183.A O no hydrogen 2.919 N/A ALA 188.A N PRO 184.A O no hydrogen 3.017 N/A ILE 189.A N ARG 185.A O no hydrogen 2.946 N/A GLN 190.A N VAL 186.A O no hydrogen 2.741 N/A ASP 191.A N GLU 187.A O no hydrogen 2.941 N/A THR 192.A N ALA 188.A O no hydrogen 3.216 N/A THR 192.A OG1 ALA 188.A O no hydrogen 2.892 N/A ILE 193.A N ILE 189.A O no hydrogen 3.016 N/A LEU 194.A N GLN 190.A O no hydrogen 2.889 N/A ARG 195.A N ASP 191.A O no hydrogen 2.992 N/A ARG 195.A NE ASP 191.A OD2 no hydrogen 3.289 N/A ALA 196.A N THR 192.A O no hydrogen 2.901 N/A LEU 197.A N ILE 193.A O no hydrogen 2.788 N/A GLU 198.A N LEU 194.A O no hydrogen 3.017 N/A PHE 199.A N ARG 195.A O no hydrogen 3.026 N/A HIS 200.A N ALA 196.A O no hydrogen 2.731 N/A HIS 200.A NE2 SER 162.A OG no hydrogen 2.992 N/A LEU 201.A N LEU 197.A O no hydrogen 2.815 N/A GLN 202.A N GLU 198.A O no hydrogen 3.177 N/A ALA 203.A N PHE 199.A O no hydrogen 3.360 N/A ASN 204.A N HIS 200.A O no hydrogen 2.931 N/A ASN 204.A ND2 ASP 160.A OD2 no hydrogen 2.774 N/A ASN 204.A ND2 ASP 163.A OD1 no hydrogen 3.017 N/A ASN 204.A ND2 ASP 163.A OD2 no hydrogen 3.448 N/A HIS 205.A N LEU 201.A O no hydrogen 2.820 N/A HIS 205.A NE2 ASP 163.A OD2 no hydrogen 2.582 N/A ALA 208.A N HIS 205.A O no hydrogen 2.869 N/A TYR 210.A N ALA 208.A O no hydrogen 2.912 N/A LYS 214.A N TYR 210.A O no hydrogen 3.341 N/A LYS 214.A NZ GLN 209.A O no hydrogen 3.133 N/A LEU 215.A N LEU 211.A O no hydrogen 3.060 N/A LEU 216.A N PHE 212.A O no hydrogen 3.161 N/A GLN 217.A N PRO 213.A O no hydrogen 3.093 N/A GLN 217.A NE2 ASP 221.A OD1 no hydrogen 2.872 N/A LYS 218.A N LYS 214.A O no hydrogen 3.021 N/A MET 219.A N LEU 215.A O no hydrogen 3.021 N/A ALA 220.A N LEU 216.A O no hydrogen 3.219 N/A ASP 221.A N GLN 217.A O no hydrogen 2.815 N/A LEU 222.A N LYS 218.A O no hydrogen 2.822 N/A ARG 223.A N MET 219.A O no hydrogen 3.190 N/A ARG 223.A NH1 ASP 176.A OD2 no hydrogen 3.335 N/A GLN 224.A N ALA 220.A O no hydrogen 3.150 N/A GLN 224.A NE2 GLU 228.A OE2 no hydrogen 3.042 N/A LEU 225.A N ASP 221.A O no hydrogen 2.856 N/A VAL 226.A N LEU 222.A O no hydrogen 2.961 N/A THR 227.A N ARG 223.A O no hydrogen 3.085 N/A THR 227.A OG1 ARG 223.A O no hydrogen 2.767 N/A GLU 228.A N GLN 224.A O no hydrogen 3.012 N/A HIS 229.A N LEU 225.A O no hydrogen 2.988 N/A ALA 230.A N VAL 226.A O no hydrogen 2.784 N/A GLN 231.A N THR 227.A O no hydrogen 3.170 N/A MET 232.A N GLU 228.A O no hydrogen 3.066 N/A MET 233.A N HIS 229.A O no hydrogen 2.794 N/A GLN 234.A N ALA 230.A O no hydrogen 2.969 N/A ARG 235.A N GLN 231.A O no hydrogen 3.199 N/A ILE 236.A N MET 232.A O no hydrogen 3.128 N/A LYS 237.A N MET 233.A O no hydrogen 3.086 N/A LYS 238.A N GLN 234.A O no hydrogen 2.990 N/A THR 239.A N ARG 235.A O no hydrogen 2.900 N/A THR 239.A OG1 ARG 235.A O no hydrogen 2.744 N/A GLU 240.A N ILE 236.A O no hydrogen 2.781 N/A THR 243.A N GLU 240.A O no hydrogen 3.278 N/A SER 244.A N TYR 63.A OH no hydrogen 3.130 N/A SER 244.A OG TYR 63.A OH no hydrogen 3.239 N/A HIS 246.A N GLN 66.A OE1 no hydrogen 2.725 N/A LEU 248.A N HIS 246.A ND1 no hydrogen 3.087 N/A GLN 250.A N HIS 246.A O no hydrogen 2.975 N/A GLN 250.A NE2 LEU 245.A O no hydrogen 2.743 N/A GLU 251.A N PRO 247.A O no hydrogen 2.960 N/A ILE 252.A N LEU 248.A O no hydrogen 2.901 N/A TYR 253.A N LEU 249.A O no hydrogen 2.988 N/A TYR 253.A OH HIS 103.A NE2 no hydrogen 3.127 N/A LYS 254.A N GLN 250.A O no hydrogen 2.964 N/A