Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p77_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLU 32.A O no hydrogen 2.831 N/A VAL 6.A N ILE 34.A O no hydrogen 2.968 N/A TRP 7.A N ASN 59.A O no hydrogen 2.875 N/A GLY 8.A N LYS 36.A O no hydrogen 3.341 N/A ASN 9.A N SER 62.A O no hydrogen 2.948 N/A ASN 9.A ND2 GLY 38.A O no hydrogen 3.006 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.560 N/A GLN 13.A NE2 PRO 10.A O no hydrogen 3.490 N/A SER 14.A N ILE 11.A O no hydrogen 2.807 N/A SER 16.A N SER 14.A OG no hydrogen 3.009 N/A ILE 19.A N LYS 15.A O no hydrogen 2.897 N/A GLN 20.A N SER 16.A O no hydrogen 2.772 N/A GLN 20.A NE2 ASN 59.A OD1 no hydrogen 3.331 N/A GLN 20.A NE2 ALA 239.A O no hydrogen 3.265 N/A ASN 21.A N PRO 17.A O no hydrogen 2.915 N/A LYS 22.A N LEU 18.A O no hydrogen 3.234 N/A LEU 23.A N ILE 19.A O no hydrogen 2.874 N/A ALA 24.A N GLN 20.A O no hydrogen 2.788 N/A ALA 25.A N ASN 21.A O no hydrogen 2.920 N/A GLN 26.A N LYS 22.A O no hydrogen 3.135 N/A GLN 26.A NE2 ASP 252.A O no hydrogen 3.114 N/A THR 27.A N LEU 23.A O no hydrogen 3.317 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.897 N/A THR 27.A OG1 ALA 24.A O no hydrogen 3.494 N/A HIS 28.A N ALA 25.A O no hydrogen 2.977 N/A GLN 29.A N ALA 24.A O no hydrogen 2.885 N/A GLN 29.A NE2 THR 27.A O no hydrogen 3.686 N/A GLU 32.A N ASP 2.A O no hydrogen 2.900 N/A TYR 33.A OH ASN 59.A OD1 no hydrogen 2.663 N/A ILE 34.A N TYR 4.A O no hydrogen 3.000 N/A LYS 36.A N VAL 6.A O no hydrogen 2.866 N/A GLY 38.A N GLY 8.A O no hydrogen 2.868 N/A ASP 39.A N GLN 46.A OE1 no hydrogen 2.653 N/A ASP 41.A N ASP 39.A OD2 no hydrogen 2.851 N/A ALA 42.A N ASP 39.A OD2 no hydrogen 2.739 N/A PHE 43.A N ASP 39.A O no hydrogen 2.929 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.644 N/A GLN 46.A N ALA 42.A O no hydrogen 2.949 N/A LEU 47.A N PHE 43.A O no hydrogen 2.759 N/A LEU 48.A N GLU 44.A O no hydrogen 3.060 N/A ALA 49.A N GLN 45.A O no hydrogen 2.941 N/A PHE 50.A N GLN 46.A O no hydrogen 2.913 N/A PHE 51.A N LEU 47.A O no hydrogen 3.006 N/A GLU 52.A N LEU 48.A O no hydrogen 2.733 N/A GLU 53.A N ALA 49.A O no hydrogen 2.837 N/A GLY 54.A N PHE 51.A O no hydrogen 2.872 N/A ALA 55.A N PHE 50.A O no hydrogen 3.282 N/A LYS 56.A N LEU 3.A O no hydrogen 2.886 N/A LYS 56.A NZ ASP 2.A OD1 no hydrogen 2.825 N/A LYS 56.A NZ ASP 2.A OD2 no hydrogen 3.362 N/A CYS 58.A N LEU 88.A O no hydrogen 2.927 N/A CYS 58.A SG ASN 59.A O no hydrogen 3.992 N/A ASN 59.A N ALA 5.A O no hydrogen 2.733 N/A ASN 59.A ND2 ASN 86.A O no hydrogen 2.915 N/A ASN 59.A ND2 SER 242.A OG no hydrogen 2.993 N/A ILE 60.A N ASN 86.A O no hydrogen 2.904 N/A THR 61.A N TRP 7.A O no hydrogen 2.790 N/A SER 62.A N THR 61.A OG1 no hydrogen 2.760 N/A PHE 64.A N THR 61.A O no hydrogen 2.998 N/A LYS 65.A NZ ASP 102.A OD2 no hydrogen 2.832 N/A ARG 67.A NE GLU 44.A OE2 no hydrogen 2.817 N/A ARG 67.A NH1 LEU 40.A O no hydrogen 2.914 N/A ARG 67.A NH2 LEU 40.A O no hydrogen 2.907 N/A ARG 67.A NH2 GLU 44.A OE1 no hydrogen 2.833 N/A ARG 67.A NH2 GLU 44.A OE2 no hydrogen 3.542 N/A ALA 68.A N PHE 64.A O no hydrogen 2.754 N/A TYR 69.A N LYS 65.A O no hydrogen 3.066 N/A GLN 70.A N GLU 66.A O no hydrogen 3.088 N/A LEU 71.A N ALA 68.A O no hydrogen 3.012 N/A ALA 72.A N TYR 69.A O no hydrogen 3.136 N/A ASP 73.A N LEU 96.A O no hydrogen 2.691 N/A GLU 74.A N LEU 96.A O no hydrogen 3.117 N/A SER 76.A N ALA 98.A O no hydrogen 2.965 N/A SER 76.A OG ASP 99.A OD2 no hydrogen 2.631 N/A ARG 78.A NE ASP 99.A OD2 no hydrogen 2.986 N/A ARG 78.A NH1 ASP 99.A OD1 no hydrogen 2.760 N/A ARG 78.A NH1 ASP 99.A OD2 no hydrogen 3.236 N/A ALA 79.A N SER 76.A OG no hydrogen 3.129 N/A LYS 80.A N SER 76.A O no hydrogen 2.872 N/A LEU 81.A N GLN 77.A O no hydrogen 2.868 N/A ALA 82.A N ARG 78.A O no hydrogen 3.115 N/A GLU 83.A N LYS 80.A O no hydrogen 3.071 N/A ALA 84.A N ALA 79.A O no hydrogen 3.391 N/A CYS 85.A N LYS 65.A O no hydrogen 2.952 N/A CYS 85.A SG THR 87.A O no hydrogen 3.458 N/A ASN 86.A N ASP 99.A O no hydrogen 3.222 N/A ASN 86.A ND2 THR 101.A OG1 no hydrogen 2.901 N/A THR 87.A N ASP 99.A O no hydrogen 3.192 N/A THR 87.A OG1 ASN 86.A OD1 no hydrogen 2.819 N/A THR 87.A OG1 SER 242.A OG no hydrogen 2.649 N/A LEU 88.A N CYS 58.A O no hydrogen 2.830 N/A LYS 89.A N TYR 97.A O no hydrogen 2.887 N/A LYS 89.A NZ LEU 245.A O no hydrogen 2.906 N/A LYS 90.A N LYS 56.A O no hydrogen 2.878 N/A LYS 90.A NZ PHE 51.A O no hydrogen 3.055 N/A LEU 91.A N LYS 95.A O no hydrogen 2.724 N/A GLY 94.A N LEU 91.A O no hydrogen 2.812 N/A LYS 95.A N ASP 93.A OD2 no hydrogen 3.011 N/A LYS 95.A NZ GLU 74.A OE1 no hydrogen 2.933 N/A LEU 96.A N ASP 73.A OD2 no hydrogen 2.603 N/A TYR 97.A N LYS 89.A O no hydrogen 2.947 N/A ALA 98.A N GLU 74.A O no hydrogen 2.841 N/A ASP 99.A N THR 87.A O no hydrogen 2.884 N/A ASN 100.A N ASP 99.A OD2 no hydrogen 2.699 N/A ASN 100.A ND2 ALA 84.A O no hydrogen 3.322 N/A THR 101.A N ASN 86.A OD1 no hydrogen 2.756 N/A THR 101.A OG1 GLN 238.A O no hydrogen 2.984 N/A THR 101.A OG1 GLN 238.A OE1 no hydrogen 3.445 N/A THR 101.A OG1 SER 242.A OG no hydrogen 2.996 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 2.875 N/A GLY 105.A N THR 101.A O no hydrogen 2.844 N/A LEU 106.A N ASP 102.A O no hydrogen 2.925 N/A VAL 107.A N GLY 103.A O no hydrogen 2.936 N/A THR 108.A N ILE 104.A O no hydrogen 2.849 N/A THR 108.A OG1 ILE 104.A O no hydrogen 2.926 N/A THR 108.A OG1 HIS 241.A NE2 no hydrogen 2.801 N/A ASP 109.A N GLY 105.A O no hydrogen 2.906 N/A LEU 110.A N LEU 106.A O no hydrogen 2.926 N/A GLN 111.A N VAL 107.A O no hydrogen 2.956 N/A ARG 112.A N THR 108.A O no hydrogen 3.000 N/A ARG 112.A NE ASP 109.A OD2 no hydrogen 2.774 N/A ARG 112.A NH1 ASP 109.A OD1 no hydrogen 3.500 N/A ARG 112.A NH1 ASP 109.A OD2 no hydrogen 2.924 N/A LEU 113.A N ASP 109.A O no hydrogen 3.019 N/A ASN 114.A N GLN 111.A O no hydrogen 2.945 N/A TRP 115.A N LEU 110.A O no hydrogen 2.745 N/A ASN 119.A N GLN 142.A O no hydrogen 2.661 N/A GLN 120.A N ARG 117.A O no hydrogen 3.243 N/A GLN 120.A NE2 TRP 115.A O no hydrogen 3.132 N/A GLN 120.A NE2 GLN 143.A OE1 no hydrogen 2.828 N/A HIS 121.A N ASP 182.A OD2 no hydrogen 2.883 N/A VAL 122.A N ASN 144.A O no hydrogen 3.016 N/A LEU 123.A N LEU 183.A O no hydrogen 2.838 N/A ILE 124.A N VAL 146.A O no hydrogen 2.830 N/A LEU 125.A N ILE 185.A O no hydrogen 2.872 N/A GLY 126.A N ALA 148.A O no hydrogen 2.788 N/A ALA 127.A N ASN 149.A OD1 no hydrogen 3.109 N/A THR 131.A OG1 GLY 126.A O no hydrogen 2.634 N/A LYS 132.A N GLY 128.A O no hydrogen 3.072 N/A LYS 132.A NZ GLU 83.A OE2 no hydrogen 2.774 N/A GLY 133.A N GLY 129.A O no hydrogen 2.774 N/A GLY 133.A N ALA 130.A O no hydrogen 3.181 N/A VAL 134.A N THR 131.A O no hydrogen 3.002 N/A LEU 135.A N THR 131.A O no hydrogen 3.095 N/A LEU 138.A N VAL 134.A O no hydrogen 3.142 N/A LEU 139.A N LEU 135.A O no hydrogen 2.782 N/A GLN 140.A N LEU 136.A O no hydrogen 2.811 N/A ALA 141.A N PRO 137.A O no hydrogen 2.966 N/A ALA 141.A N LEU 138.A O no hydrogen 2.989 N/A GLN 142.A N LEU 139.A O no hydrogen 2.908 N/A GLN 143.A N LEU 138.A O no hydrogen 3.219 N/A GLN 143.A NE2 ARG 117.A O no hydrogen 2.940 N/A GLN 143.A NE2 ALA 141.A O no hydrogen 3.130 N/A ASN 144.A N GLN 120.A O no hydrogen 2.937 N/A ASN 144.A ND2 ASN 119.A OD1 no hydrogen 3.438 N/A ASN 144.A ND2 GLN 120.A O no hydrogen 3.487 N/A ILE 145.A N ASN 167.A O no hydrogen 2.745 N/A VAL 146.A N VAL 122.A O no hydrogen 2.901 N/A LEU 147.A N GLN 169.A O no hydrogen 2.712 N/A ALA 148.A N ILE 124.A O no hydrogen 3.042 N/A ASN 149.A ND2 THR 151.A O no hydrogen 2.895 N/A THR 155.A OG1 THR 151.A O no hydrogen 3.524 N/A LYS 156.A N PHE 152.A O no hydrogen 3.072 N/A GLU 157.A N SER 153.A O no hydrogen 3.001 N/A LEU 158.A N LYS 154.A O no hydrogen 3.124 N/A ALA 159.A N THR 155.A O no hydrogen 2.927 N/A GLU 160.A N LYS 156.A O no hydrogen 2.857 N/A ARG 161.A N GLU 157.A O no hydrogen 2.772 N/A ARG 161.A NE LEU 81.A O no hydrogen 2.749 N/A ARG 161.A NH1 LYS 80.A O no hydrogen 2.947 N/A ARG 161.A NH1 LEU 81.A O no hydrogen 3.377 N/A PHE 162.A N LEU 158.A O no hydrogen 2.879 N/A GLN 163.A NE2 ILE 168.A O no hydrogen 2.814 N/A TYR 165.A N PHE 162.A O no hydrogen 2.739 N/A ASN 167.A ND2 ASN 144.A OD1 no hydrogen 2.819 N/A GLN 169.A N ILE 145.A O no hydrogen 2.693 N/A VAL 171.A N LEU 147.A O no hydrogen 2.819 N/A ASP 174.A N SER 172.A OG no hydrogen 3.181 N/A SER 175.A N SER 172.A O no hydrogen 3.117 N/A TYR 181.A OH PRO 177.A O no hydrogen 2.612 N/A ASP 182.A N HIS 121.A O no hydrogen 2.715 N/A VAL 184.A N ALA 202.A O no hydrogen 2.940 N/A ILE 185.A N LEU 123.A O no hydrogen 2.804 N/A ASN 186.A N TYR 204.A O no hydrogen 2.863 N/A ASN 186.A ND2 THR 188.A O no hydrogen 3.428 N/A ASN 186.A ND2 ASP 205.A OD1 no hydrogen 3.535 N/A ASN 186.A ND2 ASP 205.A OD2 no hydrogen 2.827 N/A ALA 187.A N LEU 125.A O no hydrogen 2.801 N/A THR 188.A N ASN 186.A OD1 no hydrogen 3.259 N/A THR 188.A OG1 ASN 186.A OD1 no hydrogen 2.672 N/A ALA 190.A N SER 189.A OG no hydrogen 3.074 N/A GLU 195.A N ASP 193.A OD1 no hydrogen 3.501 N/A ILE 196.A N ASP 193.A O no hydrogen 2.839 N/A LEU 197.A N ASP 193.A O no hydrogen 3.463 N/A LYS 198.A N ALA 194.A O no hydrogen 2.994 N/A LEU 199.A N ILE 196.A O no hydrogen 3.033 N/A GLY 200.A N LEU 197.A O no hydrogen 2.995 N/A SER 201.A N TYR 181.A O no hydrogen 2.923 N/A PHE 203.A N ASN 227.A O no hydrogen 2.795 N/A TYR 204.A N VAL 184.A O no hydrogen 2.808 N/A TYR 204.A OH ASP 109.A OD1 no hydrogen 2.642 N/A ASP 205.A N SER 229.A O no hydrogen 2.806 N/A MET 206.A N ASN 186.A O no hydrogen 2.958 N/A GLN 207.A N ASP 205.A OD2 no hydrogen 2.901 N/A GLN 207.A NE2 THR 188.A O no hydrogen 2.974 N/A THR 212.A N ALA 209.A O no hydrogen 2.897 N/A THR 214.A OG1 ASP 205.A OD1 no hydrogen 2.580 N/A ILE 217.A N THR 214.A OG1 no hydrogen 3.163 N/A ALA 218.A N THR 214.A O no hydrogen 2.917 N/A LEU 219.A N PRO 215.A O no hydrogen 2.898 N/A CYS 220.A N PHE 216.A O no hydrogen 2.959 N/A CYS 220.A SG PHE 216.A O no hydrogen 3.378 N/A LYS 221.A N ILE 217.A O no hydrogen 2.777 N/A SER 222.A N ALA 218.A O no hydrogen 2.864 N/A SER 222.A OG LEU 219.A O no hydrogen 2.611 N/A LEU 223.A N CYS 220.A O no hydrogen 3.086 N/A GLY 224.A N LYS 221.A O no hydrogen 3.067 N/A LEU 225.A N CYS 220.A O no hydrogen 2.866 N/A ASN 227.A ND2 SER 201.A O no hydrogen 2.994 N/A VAL 228.A N THR 226.A O no hydrogen 2.986 N/A SER 229.A N PHE 203.A O no hydrogen 2.842 N/A SER 229.A OG ASP 230.A O no hydrogen 2.734 N/A GLY 231.A N GLN 207.A O no hydrogen 3.008 N/A PHE 232.A N ASP 230.A OD2 no hydrogen 3.173 N/A LEU 235.A N GLY 231.A O no hydrogen 3.134 N/A VAL 236.A N PHE 232.A O no hydrogen 3.023 N/A ALA 237.A N GLY 233.A O no hydrogen 2.757 N/A GLN 238.A N MET 234.A O no hydrogen 2.952 N/A GLN 238.A NE2 LEU 235.A O no hydrogen 2.926 N/A ALA 239.A N LEU 235.A O no hydrogen 3.357 N/A ALA 240.A N VAL 236.A O no hydrogen 2.989 N/A HIS 241.A N ALA 237.A O no hydrogen 2.973 N/A HIS 241.A NE2 THR 108.A OG1 no hydrogen 2.801 N/A SER 242.A N GLN 238.A O no hydrogen 2.857 N/A SER 242.A OG THR 87.A OG1 no hydrogen 2.649 N/A SER 242.A OG THR 101.A OG1 no hydrogen 2.996 N/A SER 242.A OG GLN 238.A O no hydrogen 3.075 N/A PHE 243.A N ALA 239.A O no hydrogen 2.805 N/A HIS 244.A N ALA 240.A O no hydrogen 2.903 N/A LEU 245.A N HIS 241.A O no hydrogen 3.016 N/A TRP 246.A N SER 242.A O no hydrogen 3.033 N/A TRP 246.A NE1 LEU 88.A O no hydrogen 2.984 N/A ARG 247.A N PHE 243.A O no hydrogen 2.976 N/A ARG 247.A NE GLN 29.A OE1 no hydrogen 3.036 N/A ARG 247.A NH1 GLN 29.A OE1 no hydrogen 2.965 N/A ARG 247.A NH1 THR 30.A O no hydrogen 3.467 N/A ARG 247.A NH2 ASP 2.A OD1 no hydrogen 2.702 N/A ARG 247.A NH2 TYR 4.A OH no hydrogen 2.929 N/A GLY 248.A N HIS 244.A O no hydrogen 2.985 N/A ASP 252.A N GLN 26.A OE1 no hydrogen 2.640 N/A SER 255.A N ASP 252.A OD2 no hydrogen 3.067 N/A VAL 256.A N ASP 252.A O no hydrogen 3.168 N/A TYR 257.A N PHE 253.A O no hydrogen 2.901 N/A GLU 258.A N VAL 254.A O no hydrogen 2.701 N/A GLN 259.A N SER 255.A O no hydrogen 2.872 N/A LEU 260.A N VAL 256.A O no hydrogen 2.830 N/A LYS 261.A N TYR 257.A O no hydrogen 2.830 N/A LYS 261.A NZ TYR 257.A OH no hydrogen 2.850 N/A LYS 262.A N GLU 258.A O no hydrogen 2.727 N/A ALA 263.A N GLN 259.A O no hydrogen 2.540 N/A MET 264.A N LEU 260.A O no hydrogen 2.693 N/A LEU 265.A N LYS 262.A O no hydrogen 2.967 N/A