Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ypi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 226.A OD1 no hydrogen 2.968 N/A ARG 2.A NH1 SER 201.A O no hydrogen 3.109 N/A ARG 2.A NH2 ALA 223.A O no hydrogen 2.681 N/A ARG 2.A NH2 ASP 226.A OD1 no hydrogen 3.155 N/A PHE 5.A N ASP 226.A O no hydrogen 3.381 N/A VAL 6.A N GLU 36.A O no hydrogen 2.731 N/A GLY 7.A N PHE 228.A O no hydrogen 3.095 N/A GLY 8.A N VAL 38.A O no hydrogen 2.802 N/A ASN 9.A N VAL 230.A O no hydrogen 2.654 N/A ASN 9.A ND2 GLN 94.A OE1 no hydrogen 2.624 N/A PHE 10.A N CYS 40.A O no hydrogen 2.934 N/A LYS 11.A NZ GLU 96.A OE1 no hydrogen 2.338 N/A LYS 11.A NZ GLU 96.A OE2 no hydrogen 3.313 N/A ASN 13.A ND2 PHE 10.A O no hydrogen 3.063 N/A SER 15.A OG SER 18.A OG no hydrogen 3.143 N/A SER 18.A N SER 15.A OG no hydrogen 3.386 N/A SER 18.A OG SER 15.A OG no hydrogen 3.143 N/A ILE 19.A N SER 15.A O no hydrogen 2.904 N/A LYS 20.A N LYS 16.A O no hydrogen 2.921 N/A LYS 20.A NZ GLN 17.A OE1 no hydrogen 3.077 N/A GLU 21.A N GLN 17.A O no hydrogen 2.878 N/A ILE 22.A N SER 18.A O no hydrogen 3.030 N/A ILE 22.A N ILE 19.A O no hydrogen 3.029 N/A VAL 23.A N ILE 19.A O no hydrogen 3.058 N/A GLU 24.A N LYS 20.A O no hydrogen 2.990 N/A ARG 25.A N GLU 21.A O no hydrogen 3.481 N/A ARG 25.A NH1 GLU 21.A OE1 no hydrogen 3.143 N/A LEU 26.A N ILE 22.A O no hydrogen 3.221 N/A ASN 27.A N VAL 23.A O no hydrogen 3.461 N/A ASN 27.A ND2 LEU 52.A O no hydrogen 3.253 N/A THR 28.A N ARG 25.A O no hydrogen 3.028 N/A ALA 29.A N ARG 25.A O no hydrogen 2.808 N/A GLU 36.A N PHE 4.A O no hydrogen 2.982 N/A VAL 37.A N GLN 57.A O no hydrogen 2.897 N/A VAL 38.A N VAL 6.A O no hydrogen 3.041 N/A ILE 39.A N THR 59.A O no hydrogen 3.191 N/A CYS 40.A N GLY 8.A O no hydrogen 2.866 N/A CYS 40.A SG ALA 62.A O no hydrogen 3.727 N/A TYR 45.A N PRO 42.A O no hydrogen 2.845 N/A LEU 46.A N ALA 43.A O no hydrogen 3.352 N/A TYR 48.A OH LYS 16.A O no hydrogen 2.791 N/A SER 49.A N TYR 45.A O no hydrogen 2.851 N/A SER 49.A OG TYR 45.A O no hydrogen 2.919 N/A VAL 50.A N LEU 46.A O no hydrogen 2.918 N/A SER 51.A N ASP 47.A O no hydrogen 3.217 N/A SER 51.A OG ASP 47.A O no hydrogen 2.999 N/A SER 51.A OG TYR 48.A O no hydrogen 3.522 N/A LEU 52.A N TYR 48.A O no hydrogen 3.156 N/A LEU 52.A N SER 49.A O no hydrogen 3.140 N/A VAL 53.A N SER 49.A O no hydrogen 3.232 N/A LYS 54.A N ASN 27.A OD1 no hydrogen 2.831 N/A LYS 54.A NZ LEU 52.A O no hydrogen 2.748 N/A LYS 55.A NZ LEU 26.A O no hydrogen 3.347 N/A LYS 55.A NZ ASN 27.A O no hydrogen 2.595 N/A LYS 55.A NZ ALA 29.A O no hydrogen 2.761 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.888 N/A GLN 57.A NE2 PRO 32.A O no hydrogen 3.152 N/A VAL 58.A N LYS 55.A O no hydrogen 3.106 N/A THR 59.A N VAL 37.A O no hydrogen 2.906 N/A GLY 61.A N ILE 39.A O no hydrogen 2.996 N/A ALA 62.A N TRP 89.A O no hydrogen 2.802 N/A GLN 63.A NE2 CYS 40.A O no hydrogen 2.804 N/A ASN 64.A ND2 GLU 103.A OE1 no hydrogen 3.533 N/A TYR 66.A N ASN 77.A O no hydrogen 2.775 N/A GLU 76.A N PHE 73.A O no hydrogen 3.361 N/A ASN 77.A N GLU 76.A OE1 no hydrogen 3.109 N/A SER 78.A OG ALA 69.A O no hydrogen 2.923 N/A ASP 80.A N SER 78.A OG no hydrogen 3.247 N/A ILE 82.A N SER 78.A O no hydrogen 2.962 N/A LYS 83.A N VAL 79.A O no hydrogen 2.906 N/A LYS 83.A NZ ASP 80.A OD1 no hydrogen 2.786 N/A LYS 83.A NZ GLN 118.A O no hydrogen 2.799 N/A ASP 84.A N ASP 80.A O no hydrogen 2.840 N/A VAL 85.A N GLN 81.A O no hydrogen 3.484 N/A GLY 86.A N ILE 82.A O no hydrogen 3.246 N/A GLY 86.A N LYS 83.A O no hydrogen 2.927 N/A ALA 87.A N ILE 82.A O no hydrogen 3.207 N/A LYS 88.A N VAL 60.A O no hydrogen 2.999 N/A VAL 90.A N GLY 121.A O no hydrogen 3.188 N/A ILE 91.A N ALA 62.A O no hydrogen 3.160 N/A LEU 92.A N ILE 123.A O no hydrogen 2.770 N/A ARG 97.A N GLN 94.A O no hydrogen 2.838 N/A ARG 98.A N GLN 94.A O no hydrogen 3.339 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.862 N/A ARG 98.A NH1 ASP 105.A OD1 no hydrogen 2.719 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 2.837 N/A SER 99.A OG SER 95.A O no hydrogen 2.456 N/A PHE 101.A N ARG 97.A O no hydrogen 2.612 N/A LYS 106.A NZ ASP 110.A OD1 no hydrogen 2.621 N/A PHE 107.A N ASP 104.A OD1 no hydrogen 2.974 N/A ILE 108.A N ASP 104.A O no hydrogen 2.976 N/A ALA 109.A N ASP 105.A O no hydrogen 2.839 N/A ASP 110.A N LYS 106.A O no hydrogen 2.901 N/A LYS 111.A N PHE 107.A O no hydrogen 3.034 N/A LYS 111.A NZ ASN 64.A OD1 no hydrogen 3.569 N/A LYS 111.A NZ ALA 65.A O no hydrogen 3.459 N/A LYS 111.A NZ GLU 103.A OE1 no hydrogen 2.829 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.609 N/A THR 112.A N ILE 108.A O no hydrogen 2.764 N/A THR 112.A OG1 ILE 108.A O no hydrogen 2.847 N/A LYS 113.A N ALA 109.A O no hydrogen 3.081 N/A LYS 113.A NZ GLU 152.A O no hydrogen 2.585 N/A LYS 113.A NZ GLU 152.A OE1 no hydrogen 2.557 N/A PHE 114.A N ASP 110.A O no hydrogen 3.202 N/A ALA 115.A N LYS 111.A O no hydrogen 3.075 N/A LEU 116.A N THR 112.A O no hydrogen 3.363 N/A GLY 117.A N LYS 113.A O no hydrogen 2.994 N/A GLN 118.A N PHE 114.A O no hydrogen 2.877 N/A GLN 118.A N ALA 115.A O no hydrogen 3.015 N/A GLY 119.A N LEU 116.A O no hydrogen 3.231 N/A VAL 120.A N ALA 115.A O no hydrogen 3.203 N/A GLY 121.A N LYS 88.A O no hydrogen 2.840 N/A VAL 122.A N ASN 158.A O no hydrogen 3.076 N/A ILE 123.A N VAL 90.A O no hydrogen 2.938 N/A LEU 124.A N VAL 160.A O no hydrogen 2.879 N/A CYS 125.A N LEU 92.A O no hydrogen 3.030 N/A ILE 126.A N ALA 162.A O no hydrogen 3.178 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.957 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.952 N/A THR 129.A N GLU 132.A OE1 no hydrogen 3.103 N/A THR 129.A OG1 GLU 132.A OE1 no hydrogen 3.082 N/A LYS 133.A N THR 129.A O no hydrogen 3.066 N/A LYS 134.A N LEU 130.A O no hydrogen 2.719 N/A ALA 135.A N GLU 131.A O no hydrogen 2.966 N/A GLY 136.A N LYS 133.A O no hydrogen 3.146 N/A LYS 137.A N GLU 132.A O no hydrogen 2.759 N/A LYS 137.A NZ GLY 136.A O no hydrogen 2.634 N/A LYS 137.A NZ ASP 140.A OD2 no hydrogen 2.941 N/A VAL 141.A N LYS 137.A O no hydrogen 2.887 N/A VAL 142.A N THR 138.A O no hydrogen 3.066 N/A GLU 143.A N LEU 139.A O no hydrogen 2.959 N/A ARG 144.A N ASP 140.A O no hydrogen 3.369 N/A ARG 144.A NE ASP 105.A OD2 no hydrogen 3.219 N/A ARG 144.A NH2 ASP 105.A OD2 no hydrogen 2.750 N/A GLN 145.A N VAL 141.A O no hydrogen 2.981 N/A GLN 145.A N VAL 142.A O no hydrogen 3.215 N/A GLN 145.A NE2 GLY 127.A O no hydrogen 3.365 N/A LEU 146.A N VAL 142.A O no hydrogen 2.842 N/A ASN 147.A N GLU 143.A O no hydrogen 2.813 N/A VAL 149.A N GLN 145.A O no hydrogen 3.497 N/A LEU 150.A N LEU 146.A O no hydrogen 2.818 N/A GLU 151.A N ASN 147.A O no hydrogen 2.867 N/A GLU 152.A N VAL 149.A O no hydrogen 2.923 N/A VAL 153.A N VAL 149.A O no hydrogen 2.685 N/A TRP 156.A NE1 VAL 153.A O no hydrogen 2.836 N/A THR 157.A OG1 ASP 155.A OD1 no hydrogen 2.655 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 2.739 N/A ASN 158.A ND2 VAL 120.A O no hydrogen 2.890 N/A VAL 160.A N VAL 122.A O no hydrogen 3.085 N/A VAL 161.A N ARG 204.A O no hydrogen 3.133 N/A ALA 162.A N LEU 124.A O no hydrogen 2.692 N/A TYR 163.A N LEU 206.A O no hydrogen 2.771 N/A TYR 163.A OH GLU 128.A OE1 no hydrogen 2.755 N/A GLU 164.A N ILE 126.A O no hydrogen 3.183 N/A VAL 166.A N GLU 128.A O no hydrogen 3.040 N/A TRP 167.A NE1 GLU 128.A OE2 no hydrogen 2.962 N/A ALA 168.A N PRO 165.A O no hydrogen 2.899 N/A ILE 169.A N VAL 166.A O no hydrogen 3.214 N/A THR 171.A OG1 TRP 167.A O no hydrogen 3.175 N/A GLY 172.A N SER 210.A OG no hydrogen 2.763 N/A ALA 175.A N TYR 207.A OH no hydrogen 3.000 N/A THR 176.A N ASP 179.A OD2 no hydrogen 3.478 N/A THR 176.A OG1 GLU 178.A OE1 no hydrogen 2.941 N/A ASP 179.A N THR 176.A OG1 no hydrogen 3.328 N/A ALA 180.A N THR 176.A O no hydrogen 2.937 N/A GLN 181.A N PRO 177.A O no hydrogen 2.895 N/A GLN 181.A NE2 GLN 181.A O no hydrogen 2.979 N/A ASP 182.A N GLU 178.A O no hydrogen 3.459 N/A ILE 183.A N ASP 179.A O no hydrogen 3.498 N/A HIS 184.A N ALA 180.A O no hydrogen 2.945 N/A HIS 184.A ND1 ASP 224.A O no hydrogen 2.961 N/A ALA 185.A N GLN 181.A O no hydrogen 2.933 N/A SER 186.A N ASP 182.A O no hydrogen 2.912 N/A SER 186.A OG ASP 182.A O no hydrogen 2.841 N/A ILE 187.A N ILE 183.A O no hydrogen 2.903 N/A ARG 188.A N HIS 184.A O no hydrogen 2.898 N/A ARG 188.A NE ASP 224.A OD1 no hydrogen 2.705 N/A ARG 188.A NH1 ALA 200.A O no hydrogen 2.769 N/A ARG 188.A NH1 LEU 203.A O no hydrogen 2.648 N/A ARG 188.A NH2 ASP 224.A O no hydrogen 3.553 N/A ARG 188.A NH2 ASP 226.A OD2 no hydrogen 2.677 N/A LYS 189.A N ALA 185.A O no hydrogen 3.016 N/A LYS 189.A NZ ASP 197.A OD1 no hydrogen 2.761 N/A PHE 190.A N SER 186.A O no hydrogen 3.021 N/A LEU 191.A N ILE 187.A O no hydrogen 2.813 N/A ALA 192.A N LYS 189.A O no hydrogen 3.037 N/A SER 193.A N LYS 189.A O no hydrogen 3.021 N/A SER 193.A OG LYS 189.A O no hydrogen 3.014 N/A SER 193.A OG PHE 190.A O no hydrogen 2.621 N/A LYS 194.A N PHE 190.A O no hydrogen 3.050 N/A LYS 194.A NZ ASN 147.A OD1 no hydrogen 2.817 N/A LYS 194.A NZ GLU 151.A OE1 no hydrogen 2.661 N/A LYS 194.A NZ GLU 151.A OE2 no hydrogen 2.628 N/A LEU 195.A N ALA 192.A O no hydrogen 3.083 N/A GLY 196.A N ALA 192.A O no hydrogen 2.859 N/A LYS 198.A NZ GLU 202.A OE1 no hydrogen 3.516 N/A LYS 198.A NZ GLU 202.A OE2 no hydrogen 2.810 N/A ALA 200.A N GLY 196.A O no hydrogen 3.089 N/A SER 201.A N ASP 197.A O no hydrogen 2.864 N/A SER 201.A OG ASP 197.A O no hydrogen 2.683 N/A GLU 202.A N LYS 198.A O no hydrogen 2.926 N/A GLU 202.A N ALA 199.A O no hydrogen 3.147 N/A LEU 203.A N ALA 199.A O no hydrogen 2.997 N/A ARG 204.A NH1 THR 3.A O no hydrogen 2.527 N/A ARG 204.A NH1 GLU 36.A OE1 no hydrogen 2.988 N/A ARG 204.A NH2 GLU 36.A OE1 no hydrogen 2.844 N/A ARG 204.A NH2 GLU 36.A OE2 no hydrogen 2.844 N/A ILE 205.A N ASP 226.A OD2 no hydrogen 2.880 N/A LEU 206.A N VAL 161.A O no hydrogen 2.902 N/A TYR 207.A OH GLY 209.A O no hydrogen 2.783 N/A GLY 208.A N TYR 163.A O no hydrogen 2.888 N/A SER 210.A OG ALA 168.A O no hydrogen 2.793 N/A ASN 212.A N ASN 215.A OD1 no hydrogen 2.864 N/A ASN 212.A ND2 SER 210.A O no hydrogen 3.207 N/A GLY 213.A N GLU 238.A OE2 no hydrogen 2.892 N/A SER 214.A N ASN 212.A OD1 no hydrogen 2.950 N/A ASN 215.A N ASN 212.A OD1 no hydrogen 3.447 N/A ASN 215.A ND2 SER 210.A O no hydrogen 2.933 N/A ALA 216.A N ASN 212.A O no hydrogen 3.346 N/A THR 218.A N ASN 215.A O no hydrogen 3.153 N/A THR 218.A OG1 ASN 215.A O no hydrogen 2.663 N/A PHE 219.A N ALA 216.A O no hydrogen 2.803 N/A LYS 220.A N VAL 217.A O no hydrogen 3.194 N/A LYS 220.A NZ ASP 221.A OD1 no hydrogen 2.564 N/A LYS 220.A NZ ASP 221.A OD2 no hydrogen 2.996 N/A LYS 222.A NZ ASP 221.A O no hydrogen 2.667 N/A ASP 224.A N GLN 181.A OE1 no hydrogen 2.870 N/A ASP 226.A N ILE 205.A O no hydrogen 2.987 N/A PHE 228.A N PHE 5.A O no hydrogen 3.177 N/A LEU 229.A N TYR 207.A O no hydrogen 2.733 N/A VAL 230.A N GLY 7.A O no hydrogen 2.876 N/A SER 234.A N GLY 231.A O no hydrogen 3.095 N/A SER 234.A OG ASN 9.A O no hydrogen 2.814 N/A SER 234.A OG GLY 231.A O no hydrogen 2.730 N/A LYS 236.A N ALA 233.A O no hydrogen 2.978 N/A PHE 239.A N LYS 236.A O no hydrogen 3.345 N/A VAL 240.A N PRO 237.A O no hydrogen 3.032 N/A ILE 242.A N GLU 238.A O no hydrogen 3.276 N/A ILE 242.A N PHE 239.A O no hydrogen 3.052 N/A ILE 243.A N PHE 239.A O no hydrogen 3.220 N/A ASN 244.A N VAL 240.A O no hydrogen 2.803 N/A ASN 244.A ND2 SER 30.A O no hydrogen 3.113 N/A ASN 244.A ND2 ASN 247.A OD1 no hydrogen 2.732 N/A SER 245.A OG ILE 242.A O no hydrogen 2.726 N/A ARG 246.A NH1 VAL 225.A O no hydrogen 2.610 N/A ARG 246.A NH2 PHE 219.A O no hydrogen 2.846 N/A ARG 246.A NH2 VAL 225.A O no hydrogen 2.575 N/A ASN 247.A N ASN 244.A O no hydrogen 2.955 N/A