Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1d8a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 4.A OG no hydrogen 2.932 N/A LEU 3.A N GLU 30.A O no hydrogen 2.893 N/A SER 4.A N GLY 1.A O no hydrogen 3.231 N/A SER 4.A OG GLY 1.A O no hydrogen 3.052 N/A LYS 6.A N LEU 3.A O no hydrogen 3.072 N/A LYS 6.A NZ GLY 137.A O no hydrogen 3.223 N/A LYS 6.A NZ ASP 234.A OD1 no hydrogen 3.285 N/A ARG 7.A N ASP 85.A OD1 no hydrogen 3.136 N/A ARG 7.A NE GLU 33.A OE2 no hydrogen 3.421 N/A ARG 7.A NH2 GLU 33.A OE1 no hydrogen 3.435 N/A ILE 8.A N GLU 33.A O no hydrogen 2.896 N/A LEU 9.A N GLY 86.A O no hydrogen 3.235 N/A VAL 10.A N ALA 35.A O no hydrogen 2.964 N/A THR 11.A N VAL 88.A O no hydrogen 3.148 N/A THR 11.A OG1 VAL 88.A O no hydrogen 2.701 N/A ALA 14.A N SER 18.A OG no hydrogen 3.042 N/A SER 15.A N SER 18.A OG no hydrogen 2.971 N/A LYS 16.A NZ GLN 53.A OE1 no hydrogen 3.294 N/A LEU 17.A N SER 15.A OG no hydrogen 3.058 N/A SER 18.A N SER 15.A O no hydrogen 3.093 N/A SER 18.A OG SER 15.A O no hydrogen 3.314 N/A TYR 21.A N SER 18.A O no hydrogen 2.979 N/A GLY 22.A N SER 18.A O no hydrogen 3.389 N/A ILE 23.A N ILE 19.A O no hydrogen 3.042 N/A ALA 24.A N ALA 20.A O no hydrogen 2.838 N/A GLN 25.A N TYR 21.A O no hydrogen 2.954 N/A GLN 25.A NE2 TYR 21.A OH no hydrogen 3.098 N/A ALA 26.A N GLY 22.A O no hydrogen 3.219 N/A MET 27.A N ILE 23.A O no hydrogen 2.995 N/A HIS 28.A N ALA 24.A O no hydrogen 2.731 N/A ARG 29.A N GLN 25.A O no hydrogen 2.821 N/A ARG 29.A NE GLU 30.A OE2 no hydrogen 2.419 N/A ARG 29.A NH1 ASN 226.A OD1 no hydrogen 2.927 N/A ARG 29.A NH2 GLU 30.A OE2 no hydrogen 2.551 N/A ARG 29.A NH2 ASN 226.A OD1 no hydrogen 2.647 N/A GLU 30.A N ALA 26.A O no hydrogen 2.922 N/A GLY 31.A N HIS 28.A O no hydrogen 2.812 N/A ALA 32.A N MET 27.A O no hydrogen 2.974 N/A GLU 33.A N LYS 6.A O no hydrogen 2.814 N/A ALA 35.A N ILE 8.A O no hydrogen 3.073 N/A PHE 36.A N ILE 58.A O no hydrogen 2.801 N/A THR 37.A N VAL 10.A O no hydrogen 3.336 N/A TYR 38.A N LEU 60.A O no hydrogen 2.975 N/A LEU 43.A N ASN 40.A O no hydrogen 3.431 N/A LYS 44.A N ASP 41.A O no hydrogen 2.908 N/A ARG 46.A NH1 ALA 14.A O no hydrogen 3.105 N/A VAL 47.A N LEU 43.A O no hydrogen 3.018 N/A GLU 48.A N LYS 44.A O no hydrogen 2.832 N/A GLU 49.A N GLY 45.A O no hydrogen 3.020 N/A GLU 49.A N ARG 46.A O no hydrogen 3.020 N/A PHE 50.A N ARG 46.A O no hydrogen 3.200 N/A ALA 51.A N VAL 47.A O no hydrogen 3.087 N/A ALA 52.A N GLU 48.A O no hydrogen 3.195 N/A GLN 53.A N GLU 49.A O no hydrogen 2.837 N/A LEU 54.A N PHE 50.A O no hydrogen 2.863 N/A GLY 55.A N ALA 52.A O no hydrogen 2.835 N/A SER 56.A N ALA 51.A O no hydrogen 2.689 N/A SER 56.A OG LEU 34.A O no hydrogen 2.775 N/A ILE 58.A N SER 56.A OG no hydrogen 3.304 N/A LEU 60.A N PHE 36.A O no hydrogen 2.919 N/A GLN 61.A NE2 GLN 39.A O no hydrogen 2.852 N/A CYS 62.A N TYR 38.A O no hydrogen 3.092 N/A ASP 63.A N SER 69.A OG no hydrogen 2.673 N/A ALA 65.A N ASP 63.A OD2 no hydrogen 2.657 N/A GLU 66.A N ASP 63.A O no hydrogen 2.996 N/A SER 69.A OG GLN 61.A OE1 no hydrogen 3.471 N/A ILE 70.A N GLU 66.A O no hydrogen 3.165 N/A ASP 71.A N ASP 67.A O no hydrogen 2.641 N/A THR 72.A N ALA 68.A O no hydrogen 2.626 N/A THR 72.A OG1 ALA 68.A O no hydrogen 3.062 N/A MET 73.A N SER 69.A O no hydrogen 2.951 N/A PHE 74.A N ILE 70.A O no hydrogen 3.173 N/A ALA 75.A N THR 72.A O no hydrogen 2.819 N/A GLU 76.A N THR 72.A O no hydrogen 3.029 N/A LEU 77.A N MET 73.A O no hydrogen 3.014 N/A GLY 78.A N PHE 74.A O no hydrogen 3.143 N/A LYS 79.A N GLU 76.A O no hydrogen 2.731 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.416 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 2.775 N/A VAL 80.A N LEU 77.A O no hydrogen 3.009 N/A TRP 81.A N LEU 77.A O no hydrogen 2.408 N/A PHE 84.A N MET 133.A O no hydrogen 3.199 N/A ASP 85.A N ARG 7.A O no hydrogen 2.802 N/A VAL 88.A N LEU 9.A O no hydrogen 2.583 N/A HIS 89.A N LEU 141.A O no hydrogen 2.758 N/A HIS 89.A ND1 THR 142.A OG1 no hydrogen 3.185 N/A HIS 89.A NE2 SER 122.A OG no hydrogen 2.621 N/A SER 90.A N THR 11.A OG1 no hydrogen 3.192 N/A PHE 93.A N SER 119.A OG no hydrogen 3.103 N/A GLN 98.A N PRO 95.A O no hydrogen 2.788 N/A GLN 98.A NE2 ASP 97.A OD1 no hydrogen 2.905 N/A LEU 99.A N GLY 96.A O no hydrogen 2.531 N/A GLY 101.A N ASN 154.A OD1 no hydrogen 2.946 N/A ASN 105.A N ASP 102.A OD2 no hydrogen 2.681 N/A ALA 106.A N ASP 102.A O no hydrogen 2.597 N/A VAL 107.A N TYR 103.A O no hydrogen 2.827 N/A THR 108.A N GLN 98.A OE1 no hydrogen 3.280 N/A GLY 111.A N THR 108.A OG1 no hydrogen 2.915 N/A PHE 112.A N THR 108.A O no hydrogen 2.657 N/A LYS 113.A N ARG 109.A O no hydrogen 2.949 N/A ILE 114.A N GLU 110.A O no hydrogen 2.865 N/A ALA 115.A N GLY 111.A O no hydrogen 3.003 N/A HIS 116.A N PHE 112.A O no hydrogen 3.327 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 2.617 N/A ASP 117.A N LYS 113.A O no hydrogen 2.974 N/A ILE 118.A N ILE 114.A O no hydrogen 3.127 N/A SER 119.A N ALA 115.A O no hydrogen 2.889 N/A SER 119.A OG ALA 115.A O no hydrogen 2.557 N/A SER 120.A N HIS 116.A O no hydrogen 2.945 N/A SER 120.A OG SER 164.A OG no hydrogen 3.028 N/A TYR 121.A N HIS 116.A O no hydrogen 3.032 N/A SER 122.A N ASP 117.A O no hydrogen 3.005 N/A SER 122.A OG HIS 89.A NE2 no hydrogen 2.621 N/A SER 122.A OG ILE 118.A O no hydrogen 2.297 N/A PHE 123.A N SER 120.A O no hydrogen 2.959 N/A ALA 125.A N TYR 121.A O no hydrogen 2.825 N/A MET 126.A N SER 122.A O no hydrogen 3.117 N/A ALA 127.A N PHE 123.A O no hydrogen 3.226 N/A LYS 128.A N VAL 124.A O no hydrogen 2.714 N/A ALA 129.A N ALA 125.A O no hydrogen 3.039 N/A CYS 130.A N ALA 127.A O no hydrogen 3.083 N/A CYS 130.A SG MET 126.A O no hydrogen 3.442 N/A CYS 130.A SG ALA 127.A O no hydrogen 3.842 N/A ARG 131.A NE GLU 179.A OE1 no hydrogen 2.612 N/A ARG 131.A NH2 GLU 179.A OE1 no hydrogen 2.600 N/A MET 133.A N CYS 130.A O no hydrogen 3.251 N/A ASN 135.A N PHE 84.A O no hydrogen 2.953 N/A ASN 135.A ND2 PHE 84.A O no hydrogen 3.245 N/A ASN 135.A ND2 ASP 85.A OD2 no hydrogen 3.545 N/A GLY 137.A N GLY 180.A O no hydrogen 2.791 N/A SER 138.A N ASN 135.A O no hydrogen 3.278 N/A SER 138.A OG PHE 84.A O no hydrogen 3.252 N/A SER 138.A OG ASN 135.A O no hydrogen 2.788 N/A LEU 140.A N ARG 182.A O no hydrogen 2.840 N/A LEU 141.A N PHE 87.A O no hydrogen 3.309 N/A THR 142.A N ASN 184.A O no hydrogen 3.261 N/A THR 142.A OG1 HIS 89.A ND1 no hydrogen 3.185 N/A LEU 143.A N HIS 89.A O no hydrogen 3.406 N/A SER 144.A N ILE 186.A O no hydrogen 2.806 N/A SER 144.A OG GLU 166.A OE2 no hydrogen 2.644 N/A TYR 145.A N SER 144.A OG no hydrogen 2.661 N/A ALA 148.A N TYR 145.A O no hydrogen 2.850 N/A GLU 149.A N LEU 146.A O no hydrogen 2.742 N/A ARG 150.A N LEU 146.A O no hydrogen 2.985 N/A ARG 150.A NH2 SER 251.A O no hydrogen 2.511 N/A ASN 156.A ND2 GLN 98.A O no hydrogen 2.869 N/A ASN 156.A ND2 GLY 101.A O no hydrogen 3.302 N/A MET 158.A N TYR 155.A O no hydrogen 3.160 N/A GLY 159.A N ASN 156.A O no hydrogen 2.730 N/A ALA 161.A N VAL 157.A O no hydrogen 3.029 N/A LYS 162.A N MET 158.A O no hydrogen 2.776 N/A LYS 162.A NZ LEU 143.A O no hydrogen 3.023 N/A ALA 163.A N GLY 159.A O no hydrogen 2.911 N/A SER 164.A N LEU 160.A O no hydrogen 2.875 N/A SER 164.A OG SER 120.A OG no hydrogen 3.028 N/A LEU 165.A N ALA 161.A O no hydrogen 2.936 N/A GLU 166.A N LYS 162.A O no hydrogen 2.821 N/A ALA 167.A N ALA 163.A O no hydrogen 3.221 N/A ASN 168.A N SER 164.A O no hydrogen 2.943 N/A ASN 168.A ND2 SER 120.A O no hydrogen 3.353 N/A VAL 169.A N LEU 165.A O no hydrogen 3.144 N/A TYR 171.A N ALA 167.A O no hydrogen 2.863 N/A MET 172.A N ASN 168.A O no hydrogen 2.638 N/A ALA 173.A N VAL 169.A O no hydrogen 2.697 N/A ASN 174.A N ARG 170.A O no hydrogen 3.106 N/A ALA 175.A N TYR 171.A O no hydrogen 3.382 N/A MET 176.A N MET 172.A O no hydrogen 3.059 N/A GLU 179.A N MET 176.A O no hydrogen 3.039 N/A GLY 180.A N GLY 177.A O no hydrogen 2.702 N/A VAL 181.A N MET 176.A O no hydrogen 3.207 N/A ARG 182.A N SER 138.A O no hydrogen 3.020 N/A ARG 182.A NH1 LEU 231.A O no hydrogen 3.371 N/A ARG 182.A NH1 ILE 239.A O no hydrogen 3.105 N/A VAL 183.A N SER 240.A OG no hydrogen 3.378 N/A ASN 184.A N LEU 140.A O no hydrogen 3.102 N/A ASN 184.A ND2 ILE 239.A O no hydrogen 3.074 N/A ALA 185.A N GLU 242.A O no hydrogen 2.775 N/A ILE 186.A N THR 142.A O no hydrogen 2.798 N/A SER 187.A N VAL 244.A O no hydrogen 2.725 N/A GLY 189.A N VAL 246.A O no hydrogen 2.904 N/A SER 197.A OG LEU 194.A O no hydrogen 2.293 N/A GLY 198.A N ALA 195.A O no hydrogen 2.685 N/A LEU 206.A N PHE 202.A O no hydrogen 3.195 N/A ALA 207.A N ARG 203.A O no hydrogen 3.329 N/A HIS 208.A N LYS 204.A O no hydrogen 3.019 N/A CYS 209.A N MET 205.A O no hydrogen 3.198 N/A CYS 209.A N LEU 206.A O no hydrogen 2.672 N/A CYS 209.A SG MET 205.A O no hydrogen 3.438 N/A GLU 210.A N LEU 206.A O no hydrogen 2.875 N/A ALA 211.A N ALA 207.A O no hydrogen 3.217 N/A ALA 211.A N HIS 208.A O no hydrogen 3.186 N/A VAL 212.A N HIS 208.A O no hydrogen 3.082 N/A THR 213.A OG1 CYS 209.A O no hydrogen 1.907 N/A ARG 216.A N THR 213.A O no hydrogen 2.554 N/A ARG 216.A NH1 THR 213.A O no hydrogen 3.092 N/A ARG 217.A NH1 THR 218.A O no hydrogen 2.813 N/A ARG 217.A NH1 ASP 223.A OD1 no hydrogen 2.560 N/A ARG 217.A NH2 ASP 223.A OD1 no hydrogen 2.931 N/A ARG 217.A NH2 ASP 223.A OD2 no hydrogen 3.106 N/A THR 220.A N ASP 223.A OD1 no hydrogen 2.842 N/A THR 220.A OG1 GLU 222.A OE1 no hydrogen 2.899 N/A GLU 222.A N THR 220.A OG1 no hydrogen 2.848 N/A ASP 223.A N THR 220.A OG1 no hydrogen 2.831 N/A VAL 224.A N THR 220.A O no hydrogen 3.090 N/A GLY 225.A N ILE 221.A O no hydrogen 2.871 N/A ASN 226.A N GLU 222.A O no hydrogen 2.890 N/A SER 227.A N ASP 223.A O no hydrogen 3.376 N/A SER 227.A OG ASP 223.A O no hydrogen 3.214 N/A ALA 228.A N VAL 224.A O no hydrogen 3.046 N/A ALA 229.A N GLY 225.A O no hydrogen 2.806 N/A PHE 230.A N ASN 226.A O no hydrogen 2.904 N/A LEU 231.A N SER 227.A O no hydrogen 2.861 N/A CYS 232.A N ALA 228.A O no hydrogen 2.978 N/A CYS 232.A N ALA 229.A O no hydrogen 2.998 N/A CYS 232.A SG ALA 228.A O no hydrogen 3.605 N/A SER 233.A N PHE 230.A O no hydrogen 2.970 N/A SER 233.A OG PHE 230.A O no hydrogen 3.009 N/A LEU 235.A N SER 233.A OG no hydrogen 2.995 N/A SER 236.A N SER 233.A O no hydrogen 3.128 N/A SER 236.A OG PHE 230.A O no hydrogen 2.962 N/A SER 236.A OG LEU 231.A O no hydrogen 3.064 N/A SER 236.A OG SER 233.A O no hydrogen 2.997 N/A ALA 237.A N ASP 234.A O no hydrogen 2.938 N/A ILE 239.A N SER 236.A O no hydrogen 2.826 N/A GLY 241.A N VAL 183.A O no hydrogen 2.666 N/A GLU 242.A N ASN 184.A OD1 no hydrogen 2.840 N/A HIS 245.A NE2 GLU 149.A OE1 no hydrogen 3.282 N/A HIS 245.A NE2 GLU 149.A OE2 no hydrogen 2.592 N/A VAL 246.A N SER 187.A O no hydrogen 2.549 N/A GLY 249.A N ASP 247.A OD2 no hydrogen 3.283 N/A PHE 250.A N ASP 247.A O no hydrogen 2.865 N/A SER 251.A N ASP 247.A OD1 no hydrogen 3.076 N/A ALA 253.A N PHE 250.A O no hydrogen 3.449 N/A