Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7p1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASP 7.A O no hydrogen 2.993 N/A GLY 4.A N ASP 7.A OD1 no hydrogen 2.894 N/A HIS 11.A N GLY 8.A O no hydrogen 2.874 N/A TRP 12.A N PRO 9.A O no hydrogen 3.364 N/A TRP 12.A NE1 GLY 2.A O no hydrogen 3.078 N/A TRP 12.A NE1 ASP 7.A O no hydrogen 3.063 N/A LYS 14.A N HIS 11.A O no hydrogen 2.998 N/A LEU 15.A N TRP 12.A O no hydrogen 2.948 N/A TYR 16.A N TRP 12.A O no hydrogen 2.875 N/A ALA 19.A N TYR 16.A O no hydrogen 2.906 N/A GLN 20.A N PRO 17.A O no hydrogen 3.074 N/A GLY 21.A N ILE 18.A O no hydrogen 2.741 N/A ARG 23.A N.A GLU 201.A OE2 no hydrogen 3.010 N/A ARG 23.A N.B GLU 201.A OE2 no hydrogen 2.975 N/A ARG 23.A NE.A GLY 192.A O no hydrogen 2.922 N/A ARG 23.A NH2.A GLY 192.A O no hydrogen 3.171 N/A ARG 23.A NH2.A VAL 203.A O no hydrogen 3.028 N/A ARG 23.A NH2.B GLU 201.A O no hydrogen 2.933 N/A GLN 24.A NE2 LEU 199.A O no hydrogen 3.115 N/A GLN 24.A NE2 GLU 201.A OE2 no hydrogen 3.046 N/A SER 25.A N SER 193.A OG no hydrogen 2.957 N/A SER 25.A OG TYR 190.A OH no hydrogen 2.920 N/A SER 25.A OG SER 193.A O no hydrogen 3.522 N/A ILE 29.A N THR 104.A O no hydrogen 2.796 N/A SER 31.A N ASP 106.A OD1 no hydrogen 3.067 N/A SER 31.A OG ASP 106.A OD1 no hydrogen 3.230 N/A SER 31.A OG ASP 106.A OD2 no hydrogen 2.704 N/A GLN 33.A N ILE 30.A O no hydrogen 2.867 N/A ALA 34.A N SER 31.A O no hydrogen 3.220 N/A VAL 35.A N VAL 252.A O no hydrogen 2.774 N/A SER 37.A N ALA 254.A O no hydrogen 2.901 N/A SER 37.A OG VAL 35.A O no hydrogen 3.148 N/A LEU 40.A N SER 37.A O no hydrogen 3.169 N/A GLN 41.A N GLY 78.A O no hydrogen 3.377 N/A GLU 44.A N THR 76.A O no hydrogen 2.933 N/A SER 46.A N VAL 74.A O no hydrogen 2.934 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.709 N/A SER 52.A OG PHE 172.A O no hydrogen 2.781 N/A LEU 53.A N ASP 65.A O no hydrogen 2.783 N/A ILE 55.A N ALA 170.A O no hydrogen 2.872 N/A THR 56.A N GLN 63.A O no hydrogen 2.796 N/A ASN 57.A N THR 168.A O no hydrogen 2.937 N/A ASN 57.A ND2 VAL 163.A O no hydrogen 3.069 N/A ASN 57.A ND2 LEU 226.A O no hydrogen 3.087 N/A ASN 58.A N SER 61.A O no hydrogen 3.221 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.794 N/A HIS 60.A N ASN 58.A OD1 no hydrogen 2.825 N/A SER 61.A N ASN 58.A OD1 no hydrogen 2.951 N/A SER 61.A OG VAL 62.A O no hydrogen 3.436 N/A SER 61.A OG PHE 91.A O no hydrogen 2.537 N/A GLN 63.A N THR 56.A O no hydrogen 2.830 N/A GLN 63.A NE2 ASP 65.A OD1 no hydrogen 3.055 N/A VAL 64.A N PHE 89.A O no hydrogen 2.860 N/A ASP 65.A N SER 54.A O no hydrogen 3.027 N/A PHE 66.A N LYS 87.A O no hydrogen 2.888 N/A ASN 67.A N MET 51.A O no hydrogen 2.874 N/A SER 69.A N.A ASN 67.A OD1 no hydrogen 3.066 N/A SER 69.A N.B ASN 67.A OD1 no hydrogen 3.067 N/A SER 69.A OG.A ASN 67.A OD1 no hydrogen 2.903 N/A SER 69.A OG.A ASP 70.A OD1 no hydrogen 3.125 N/A SER 69.A OG.B ASN 67.A OD1 no hydrogen 3.142 N/A ARG 72.A NE ASP 70.A OD1 no hydrogen 3.457 N/A ARG 72.A NE ASP 70.A OD2 no hydrogen 2.638 N/A ARG 72.A NH2 ASP 70.A OD1 no hydrogen 3.509 N/A VAL 74.A N SER 46.A O no hydrogen 2.997 N/A VAL 75.A N TYR 84.A O no hydrogen 3.031 N/A THR 76.A N GLU 44.A O no hydrogen 2.935 N/A LEU 80.A N GLY 77.A O no hydrogen 2.969 N/A TYR 84.A N VAL 75.A O no hydrogen 3.028 N/A TYR 84.A OH ASP 135.A O no hydrogen 2.707 N/A ARG 85.A N TRP 119.A O no hydrogen 2.895 N/A ARG 85.A NE ASP 71.A OD1 no hydrogen 2.689 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 2.900 N/A LEU 86.A N THR 73.A O no hydrogen 2.924 N/A LYS 87.A N VAL 117.A O no hydrogen 2.829 N/A GLN 88.A N VAL 117.A O no hydrogen 3.490 N/A PHE 89.A N VAL 64.A O no hydrogen 2.988 N/A HIS 90.A N HIS 115.A O no hydrogen 3.083 N/A HIS 90.A ND1 GLN 88.A OE1 no hydrogen 2.824 N/A PHE 91.A N SER 61.A OG no hydrogen 3.289 N/A HIS 92.A N GLU 113.A O no hydrogen 3.011 N/A HIS 92.A ND1 ASN 240.A O no hydrogen 2.762 N/A HIS 92.A NE2 HIS 90.A NE2 no hydrogen 3.155 N/A TRP 93.A N ASN 240.A OD1 no hydrogen 2.800 N/A TRP 93.A NE1 MET 237.A O no hydrogen 2.778 N/A GLY 94.A N PRO 111.A O no hydrogen 3.376 N/A LYS 95.A N ASN 239.A OD1 no hydrogen 2.959 N/A HIS 97.A N HIS 97.A ND1 no hydrogen 2.934 N/A SER 101.A N PHE 110.A O no hydrogen 2.857 N/A SER 101.A OG HIS 103.A O no hydrogen 2.867 N/A SER 101.A OG PHE 110.A O no hydrogen 3.499 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 2.854 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.763 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.815 N/A HIS 103.A NE2 TYR 190.A OH no hydrogen 2.647 N/A THR 104.A N ILE 27.A O no hydrogen 3.307 N/A THR 104.A OG1 ASN 28.A OD1 no hydrogen 2.705 N/A VAL 105.A N LYS 108.A O no hydrogen 2.976 N/A ASP 106.A N ILE 29.A O no hydrogen 2.752 N/A GLY 107.A N ASN 28.A OD1 no hydrogen 2.848 N/A LYS 108.A N VAL 105.A O no hydrogen 2.874 N/A PHE 110.A N SER 101.A OG no hydrogen 2.955 N/A SER 112.A OG HIS 92.A O no hydrogen 2.828 N/A GLU 113.A N HIS 92.A O no hydrogen 2.978 N/A LEU 114.A N VAL 142.A O no hydrogen 2.775 N/A HIS 115.A N HIS 90.A O no hydrogen 2.891 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.661 N/A LEU 116.A N VAL 140.A O no hydrogen 2.881 N/A VAL 117.A N GLN 88.A O no hydrogen 2.844 N/A HIS 118.A N ALA 138.A O no hydrogen 2.854 N/A HIS 118.A ND1 ALA 138.A O no hydrogen 3.016 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.709 N/A TRP 119.A N ARG 85.A O no hydrogen 2.900 N/A TRP 119.A NE1 ASP 68.A OD2 no hydrogen 2.813 N/A ASN 120.A N GLY 136.A O no hydrogen 2.851 N/A ASN 120.A ND2 ASP 135.A O no hydrogen 3.440 N/A ALA 121.A N TRP 119.A O no hydrogen 3.010 N/A LYS 123.A N ASN 120.A O no hydrogen 3.351 N/A LYS 123.A NZ TYR 124.A OH no hydrogen 3.417 N/A LYS 123.A NZ ASP 135.A OD2 no hydrogen 2.787 N/A TYR 124.A N ASN 120.A O no hydrogen 2.976 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.582 N/A SER 125.A N GLU 129.A OE1 no hydrogen 2.912 N/A GLU 129.A N THR 126.A OG1 no hydrogen 2.982 N/A ALA 130.A N THR 126.A O no hydrogen 3.005 N/A ALA 131.A N PHE 127.A O no hydrogen 2.834 N/A SER 132.A N GLU 129.A O no hydrogen 3.064 N/A SER 132.A OG GLU 129.A O no hydrogen 2.649 N/A ALA 133.A N ALA 130.A O no hydrogen 3.062 N/A GLY 136.A N ALA 133.A O no hydrogen 2.951 N/A LEU 137.A N SER 202.A O no hydrogen 2.934 N/A ALA 138.A N HIS 118.A O no hydrogen 2.963 N/A VAL 139.A N THR 204.A O no hydrogen 3.164 N/A VAL 140.A N LEU 116.A O no hydrogen 2.901 N/A GLY 141.A N ILE 206.A O no hydrogen 2.761 N/A VAL 142.A N LEU 114.A O no hydrogen 2.875 N/A LEU 144.A N SER 112.A O no hydrogen 2.998 N/A GLU 145.A N ILE 212.A O no hydrogen 2.939 N/A GLY 147.A N ILE 214.A O no hydrogen 2.793 N/A HIS 150.A N GLN 218.A OE1 no hydrogen 2.966 N/A HIS 150.A NE2 SER 179.A O no hydrogen 2.918 N/A ASN 154.A N PRO 151.A O no hydrogen 3.108 N/A ASN 154.A ND2 GLU 149.A OE1 no hydrogen 3.161 N/A ASN 154.A ND2 PRO 151.A O no hydrogen 3.456 N/A ARG 155.A N SER 152.A O no hydrogen 3.206 N/A ARG 155.A NH1 SER 173.A O no hydrogen 2.788 N/A ARG 155.A NH2 SER 173.A O no hydrogen 2.957 N/A THR 157.A N MET 153.A O no hydrogen 2.867 N/A THR 157.A OG1 MET 153.A O no hydrogen 3.303 N/A THR 157.A OG1 ASN 154.A O no hydrogen 3.546 N/A ASP 158.A N ASN 154.A O no hydrogen 2.902 N/A ALA 159.A N LEU 156.A O no hydrogen 3.041 N/A LEU 160.A N THR 157.A O no hydrogen 3.349 N/A VAL 163.A N LEU 160.A O no hydrogen 3.035 N/A ARG 164.A N TYR 161.A O no hydrogen 3.205 N/A ARG 164.A NH1 TYR 161.A O no hydrogen 2.874 N/A LYS 166.A N THR 228.A O no hydrogen 2.935 N/A GLY 167.A N ASN 57.A O no hydrogen 2.794 N/A THR 168.A N PHE 165.A O no hydrogen 3.309 N/A THR 168.A OG1 PHE 165.A O no hydrogen 2.729 N/A ALA 170.A N ILE 55.A O no hydrogen 2.903 N/A PHE 172.A N LEU 53.A O no hydrogen 3.027 N/A PHE 175.A N SER 52.A OG no hydrogen 3.018 N/A LYS 178.A N ASN 176.A OD1 no hydrogen 2.866 N/A SER 179.A N ASN 176.A O no hydrogen 3.006 N/A SER 179.A OG ASN 176.A O no hydrogen 2.741 N/A LEU 180.A N PRO 177.A O no hydrogen 3.024 N/A LEU 181.A N LYS 178.A O no hydrogen 3.171 N/A SER 184.A N GLU 210.A OE1 no hydrogen 3.207 N/A ARG 185.A NH1 PRO 182.A O no hydrogen 2.827 N/A ARG 185.A NH1 SER 184.A O no hydrogen 3.172 N/A HIS 186.A N SER 184.A OG no hydrogen 3.270 N/A HIS 186.A ND1 SER 255.A OG no hydrogen 2.883 N/A TYR 187.A N SER 255.A OG no hydrogen 2.870 N/A TRP 188.A N VAL 207.A O no hydrogen 2.913 N/A THR 189.A N LYS 253.A O no hydrogen 2.811 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.773 N/A TYR 190.A N TRP 205.A O no hydrogen 3.312 N/A TYR 190.A OH SER 25.A OG no hydrogen 2.920 N/A TYR 190.A OH HIS 103.A NE2 no hydrogen 2.647 N/A GLY 192.A N VAL 203.A O no hydrogen 2.739 N/A SER 193.A N SER 25.A OG no hydrogen 2.928 N/A SER 193.A OG LEU 194.A O no hydrogen 2.802 N/A LEU 194.A N SER 200.A O no hydrogen 2.969 N/A THR 195.A OG1 GLU 102.A OE1 no hydrogen 2.524 N/A THR 195.A OG1 GLU 102.A OE2 no hydrogen 3.428 N/A THR 196.A OG1 PRO 197.A O no hydrogen 3.176 N/A LEU 199.A N THR 196.A O no hydrogen 2.833 N/A SER 202.A OG ALA 131.A O no hydrogen 2.846 N/A VAL 203.A N GLY 192.A O no hydrogen 3.260 N/A THR 204.A N LEU 137.A O no hydrogen 2.932 N/A TRP 205.A N TYR 190.A O no hydrogen 2.982 N/A TRP 205.A NE1 SER 193.A O no hydrogen 2.914 N/A ILE 206.A N VAL 139.A O no hydrogen 2.956 N/A VAL 207.A N TRP 188.A O no hydrogen 2.886 N/A LEU 208.A N GLY 141.A O no hydrogen 2.886 N/A ARG 209.A N HIS 186.A O no hydrogen 3.023 N/A ILE 212.A N PHE 143.A O no hydrogen 2.894 N/A SER 213.A OG ASP 148.A O no hydrogen 3.495 N/A ILE 214.A N GLU 145.A O no hydrogen 3.052 N/A SER 215.A N GLN 218.A OE1 no hydrogen 2.984 N/A ARG 217.A NH2 GLU 149.A OE2 no hydrogen 2.792 N/A ARG 217.A NH2 ASN 154.A OD1 no hydrogen 2.811 N/A GLN 218.A N SER 215.A OG no hydrogen 3.162 N/A GLN 218.A NE2 HIS 150.A O no hydrogen 2.799 N/A GLN 218.A NE2 ASN 154.A OD1 no hydrogen 3.042 N/A MET 219.A N SER 215.A O no hydrogen 2.892 N/A GLY 220.A N GLU 216.A O no hydrogen 2.776 N/A LYS 221.A N ARG 217.A O no hydrogen 3.191 N/A LYS 221.A N GLN 218.A O no hydrogen 3.150 N/A PHE 222.A N MET 219.A O no hydrogen 3.106 N/A ARG 223.A NE GLY 94.A O no hydrogen 2.876 N/A SER 224.A N.A LYS 221.A O no hydrogen 3.133 N/A SER 224.A N.B LYS 221.A O no hydrogen 3.137 N/A SER 224.A OG.A GLY 220.A O no hydrogen 3.185 N/A SER 224.A OG.B GLY 220.A O no hydrogen 3.348 N/A LEU 225.A N PHE 222.A O no hydrogen 3.163 N/A LEU 226.A N ARG 164.A O no hydrogen 2.794 N/A PHE 227.A N ILE 235.A O no hydrogen 2.852 N/A THR 228.A OG1 GLU 233.A O no hydrogen 3.333 N/A SER 229.A OG ASP 232.A OD2 no hydrogen 2.746 N/A ILE 235.A N THR 228.A OG1 no hydrogen 3.198 N/A MET 237.A N LEU 225.A O no hydrogen 2.828 N/A ASN 240.A N TRP 93.A O no hydrogen 3.287 N/A ASN 240.A ND2 HIS 60.A O no hydrogen 2.916 N/A ASN 240.A ND2 PHE 91.A O no hydrogen 3.637 N/A ARG 242.A N GLU 102.A OE2 no hydrogen 2.858 N/A ARG 242.A NH1 GLN 24.A OE1 no hydrogen 2.762 N/A ARG 242.A NH1 SER 25.A O no hydrogen 2.832 N/A ARG 242.A NH2 ALA 19.A O no hydrogen 3.141 N/A ARG 242.A NH2 GLN 24.A OE1 no hydrogen 3.280 N/A GLN 245.A N PRO 26.A O no hydrogen 2.749 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.872 N/A LYS 248.A NZ GLN 20.A O no hydrogen 2.892 N/A LYS 248.A NZ GLY 21.A O no hydrogen 3.014 N/A LYS 248.A NZ ASP 22.A OD1 no hydrogen 3.495 N/A ARG 250.A N LEU 247.A O no hydrogen 3.108 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.895 N/A ARG 250.A NH1 GLN 24.A O no hydrogen 3.063 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 2.914 N/A ARG 250.A NH2 GLN 24.A O no hydrogen 2.839 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 2.832 N/A LYS 253.A N THR 189.A O no hydrogen 2.926 N/A ALA 254.A N VAL 35.A O no hydrogen 2.870 N/A SER 255.A N TYR 187.A O no hydrogen 2.983 N/A SER 255.A OG HIS 186.A ND1 no hydrogen 2.883 N/A SER 255.A OG TYR 187.A O no hydrogen 3.440 N/A