Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pyt_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 9.A N ASP 12.A OD2 no hydrogen 2.855 N/A ASN 9.A ND2 VAL 7.A O no hydrogen 2.709 N/A ASP 12.A N ASN 9.A O no hydrogen 3.356 N/A ALA 13.A N LEU 153.A O no hydrogen 2.759 N/A SER 17.A N VAL 14.A O no hydrogen 3.118 N/A SER 17.A OG VAL 14.A O no hydrogen 2.883 N/A TRP 18.A NE1 GLU 155.A OE1 no hydrogen 2.854 N/A SER 19.A OG GLN 118.A OE1 no hydrogen 3.055 N/A TRP 20.A NE1 ASN 200.A OD1 no hydrogen 2.633 N/A GLN 21.A N TRP 18.A O no hydrogen 3.409 N/A GLN 21.A NE2 VAL 22.A O no hydrogen 2.888 N/A SER 23.A N VAL 62.A O no hydrogen 2.925 N/A SER 23.A OG GLN 25.A OE1 no hydrogen 3.458 N/A SER 23.A OG HIS 34.A ND1 no hydrogen 2.455 N/A LEU 24.A N CYS 36.A O no hydrogen 3.147 N/A GLN 25.A N GLN 60.A O no hydrogen 2.835 N/A GLN 25.A NE2 GLN 60.A OE1 no hydrogen 2.692 N/A TYR 26.A N HIS 33.A O no hydrogen 3.223 N/A GLU 27.A N THR 58.A O no hydrogen 2.977 N/A ALA 31.A N LYS 28A.A O no hydrogen 2.793 N/A HIS 33.A N TYR 26.A O no hydrogen 2.881 N/A HIS 34.A ND1 SER 23.A OG no hydrogen 2.455 N/A HIS 34.A NE2 ASP 194.A OD1 no hydrogen 3.212 N/A THR 35.A N LEU 24.A O no hydrogen 2.853 N/A CYS 36.A N LEU 24.A O no hydrogen 3.345 N/A CYS 36.A SG THR 35.A O no hydrogen 3.041 N/A GLY 37.A N SER 195.A O no hydrogen 2.846 N/A SER 39.A N VAL 47.A O no hydrogen 3.070 N/A LEU 40.A N TRP 20.A O no hydrogen 2.851 N/A ALA 42.A N TRP 45.A O no hydrogen 3.323 N/A TRP 45.A N ALA 42.A O no hydrogen 2.828 N/A VAL 46.A N VAL 105.A O no hydrogen 2.848 N/A VAL 47.A N SER 39.A O no hydrogen 3.218 N/A THR 48.A N ALA 103.A O no hydrogen 3.096 N/A THR 48.A OG1 GLY 37.A O no hydrogen 2.878 N/A GLY 50.A N ASP 101.A OD1 no hydrogen 2.689 N/A HIS 51.A N ASP 101.A OD1 no hydrogen 3.157 N/A HIS 51.A ND1 ASP 101.A OD2 no hydrogen 3.262 N/A HIS 51.A NE2 SER 195.A OG no hydrogen 2.881 N/A CYS 52.A N ALA 49.A O no hydrogen 3.338 N/A ILE 53.A N GLY 50.A O no hydrogen 3.428 N/A GLN 60.A N GLN 25.A O no hydrogen 2.986 N/A VAL 61.A N ILE 78.A O no hydrogen 2.888 N/A VAL 62.A N SER 23.A O no hydrogen 2.761 N/A LEU 63.A N GLN 76.A O no hydrogen 2.800 N/A TYR 66.A N GLU 65.A OE1 no hydrogen 3.316 N/A TYR 66.A OH ALA 13.A O no hydrogen 2.786 N/A ASP 67.A N GLN 72.A OE1 no hydrogen 3.411 N/A ARG 68.A N ASP 151.A O no hydrogen 2.861 N/A ARG 68.A NH2 PRO 150.A O no hydrogen 3.091 N/A SER 69.A N ASP 67.A OD1 no hydrogen 2.847 N/A SER 69.A OG ASP 67.A OD1 no hydrogen 2.562 N/A VAL 70.A N ASP 67.A O no hydrogen 2.924 N/A GLN 72.A N GLU 75.A OE1 no hydrogen 3.049 N/A GLN 72.A N GLU 75.A OE2 no hydrogen 3.032 N/A GLY 73.A N GLU 75.A OE1 no hydrogen 2.984 N/A SER 74.A OG TYR 16.A OH no hydrogen 3.050 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.962 N/A GLN 76.A N LEU 63.A O no hydrogen 2.631 N/A GLN 76.A NE2 GLN 112.A O no hydrogen 3.239 N/A ILE 78.A N VAL 61.A O no hydrogen 2.996 N/A ILE 80.A N TYR 59.A O no hydrogen 2.829 N/A ASN 81.A ND2 ASP 84.A OD2 no hydrogen 3.373 N/A ASP 84.A N ASN 81.A O no hydrogen 2.748 N/A HIS 88.A N ILE 102.A O no hydrogen 3.409 N/A ASN 94.A N ASN 92.A OD1 no hydrogen 3.185 N/A ASN 94.A ND2 ASN 94.A O no hydrogen 2.713 N/A CYS 95.A N ASN 92.A O no hydrogen 2.664 N/A GLY 99.A N VAL 96.A O no hydrogen 3.174 N/A ILE 102.A N ASN 100.A O no hydrogen 3.065 N/A LEU 104.A N PHE 86.A O no hydrogen 3.086 N/A VAL 105.A N VAL 46.A O no hydrogen 2.692 N/A LYS 106.A N ASP 84.A O no hydrogen 2.867 N/A LEU 107.A N ASP 44.A O no hydrogen 2.945 N/A SER 108.A OG PRO 79.A O no hydrogen 2.753 N/A ARG 109.A NE SER 110.A O no hydrogen 3.156 N/A SER 110.A OG PRO 43.A O no hydrogen 2.513 N/A SER 110.A OG ASP 44.A OD2 no hydrogen 3.137 N/A ALA 111.A N PRO 43.A O no hydrogen 2.685 N/A GLN 112.A N GLN 76.A OE1 no hydrogen 2.970 N/A GLY 114.A N VAL 117.A O no hydrogen 2.929 N/A LYS 116.A NZ ASP 115.A OD2 no hydrogen 3.343 N/A GLN 118.A N SER 19.A O no hydrogen 2.813 N/A GLN 118.A NE2 GLY 114.A O no hydrogen 3.416 N/A ALA 120.A N LEU 40.A O no hydrogen 2.865 N/A ASP 127.A N PRO 124.A O no hydrogen 2.916 N/A GLU 132.A N VAL 160.A O no hydrogen 3.094 N/A ALA 133.A N PRO 130.A O no hydrogen 3.068 N/A CYS 135.A N ALA 133.A O no hydrogen 3.095 N/A CYS 135.A SG ALA 133.A O no hydrogen 3.969 N/A TYR 136.A N ASN 200.A O no hydrogen 2.918 N/A ILE 137.A N ALA 156.A O no hydrogen 2.986 N/A SER 138.A OG GLN 21.A OE1 no hydrogen 3.180 N/A GLY 139.A N GLN 154.A O no hydrogen 3.454 N/A TRP 140.A N ASP 194.A OD1 no hydrogen 3.205 N/A TRP 140.A N ASP 194.A OD2 no hydrogen 3.085 N/A TRP 140.A NE1 TYR 66.A O no hydrogen 3.159 N/A ARG 142.A N ASP 194.A OD1 no hydrogen 3.183 N/A ARG 142.A NH1 TYR 144.A O no hydrogen 2.646 N/A ARG 142.A NH2 TYR 144.A O no hydrogen 3.117 N/A LEU 143.A N GLY 193.A O no hydrogen 3.080 N/A TYR 144.A N GLY 141.A O no hydrogen 3.187 N/A TYR 144.A OH GLY 146.A O no hydrogen 2.997 N/A GLY 147.A N THR 145.A O no hydrogen 2.797 N/A LYS 152.A NZ VAL 7.A O no hydrogen 2.952 N/A LYS 152.A NZ ASP 12.A OD2 no hydrogen 3.166 N/A LEU 153.A N TYR 66.A O no hydrogen 3.058 N/A GLN 154.A N GLY 139.A O no hydrogen 2.904 N/A GLN 154.A NE2 ASP 12.A OD1 no hydrogen 2.862 N/A GLN 154.A NE2 LYS 152.A O no hydrogen 2.977 N/A GLU 155.A N GLU 11.A O no hydrogen 3.115 N/A ALA 156.A N ILE 137.A O no hydrogen 3.237 N/A LEU 158.A N CYS 135.A O no hydrogen 2.858 N/A VAL 160.A N ALA 133.A O no hydrogen 2.831 N/A VAL 161.A N CYS 182.A O no hydrogen 2.679 N/A HIS 165.A N ASP 162.A O no hydrogen 3.064 N/A HIS 165.A ND1 ASP 162.A OD2 no hydrogen 2.772 N/A CYS 166.A N ASP 162.A O no hydrogen 2.676 N/A CYS 166.A N TYR 163.A O no hydrogen 2.762 N/A SER 167.A N TYR 163.A O no hydrogen 2.767 N/A SER 167.A OG TYR 163.A O no hydrogen 2.467 N/A TRP 171.A N GLN 168.A O no hydrogen 2.650 N/A TRP 172.A N CYS 166.A O no hydrogen 3.291 N/A TRP 172.A NE1 PRO 228.A O no hydrogen 2.663 N/A THR 175.A N TRP 172.A O no hydrogen 3.115 N/A LYS 177.A NZ ILE 174.A O no hydrogen 3.006 N/A LYS 177.A NZ ALA 97A.A O no hydrogen 3.352 N/A MET 180.A N LYS 177.A O no hydrogen 2.836 N/A VAL 181.A N PHE 231.A O no hydrogen 3.006 N/A ALA 183.A N THR 229.A O no hydrogen 3.137 N/A GLY 184.A N PRO 159.A O no hydrogen 2.820 N/A SER 189.A OG CYS 222.A O no hydrogen 3.473 N/A SER 189.A OG ASN 223.A OD1 no hydrogen 2.707 N/A GLY 190.A N CYS 222.A O no hydrogen 2.921 N/A CYS 191.A SG SER 189.A OG no hydrogen 3.280 N/A CYS 191.A SG CYS 222.A O no hydrogen 3.000 N/A SER 195.A OG HIS 51.A NE2 no hydrogen 2.881 N/A GLY 196.A N THR 214.A O no hydrogen 2.776 N/A GLY 197.A N ASP 194.A O no hydrogen 2.941 N/A LEU 199.A N GLY 212.A O no hydrogen 3.351 N/A ASN 200.A N TYR 136.A O no hydrogen 3.327 N/A ASN 200.A ND2 TYR 136.A O no hydrogen 2.969 N/A CYS 201.A N GLN 209.A O no hydrogen 2.775 N/A ALA 203.A N SER 207.A O no hydrogen 2.657 N/A GLN 209.A N CYS 201.A O no hydrogen 2.688 N/A VAL 210.A N ASN 121.A O no hydrogen 2.857 N/A HIS 211.A N LEU 199.A O no hydrogen 2.796 N/A HIS 211.A ND1 GLN 209.A O no hydrogen 3.183 N/A GLY 212.A N LEU 199.A O no hydrogen 3.248 N/A VAL 213.A N THR 232.A O no hydrogen 3.261 N/A THR 214.A N GLY 197.A O no hydrogen 2.886 N/A THR 214.A OG1 ASP 194.A O no hydrogen 3.241 N/A THR 214.A OG1 GLY 197.A O no hydrogen 2.671 N/A SER 215.A N VAL 230.A O no hydrogen 3.034 N/A SER 215.A OG ASP 101.A OD2 no hydrogen 2.778 N/A PHE 216.A N VAL 230.A O no hydrogen 3.333 N/A PHE 220.A N SER 218.A OG no hydrogen 3.211 N/A GLY 221.A N SER 218.A O no hydrogen 3.314 N/A CYS 222.A SG LEU 143.A O no hydrogen 3.794 N/A LYS 226.A N GLY 185.A O no hydrogen 2.731 N/A LYS 226.A NZ ASP 170B.A OD2 no hydrogen 2.900 N/A LYS 227.A N THR 224A.A O no hydrogen 3.289 N/A LYS 227.A NZ TRP 171.A O no hydrogen 2.757 N/A LYS 227.A NZ ASP 170B.A O no hydrogen 3.297 N/A THR 229.A N ALA 183.A O no hydrogen 3.226 N/A VAL 230.A N PHE 216.A O no hydrogen 3.010 N/A PHE 231.A N VAL 181.A O no hydrogen 2.700 N/A THR 232.A N VAL 213.A O no hydrogen 2.944 N/A THR 232.A OG1 ASP 101.A O no hydrogen 3.044 N/A ARG 233.A N THR 179.A O no hydrogen 2.746 N/A ARG 233.A NE LYS 178.A O no hydrogen 3.084 N/A ARG 233.A NH1 SER 235.A OG no hydrogen 2.464 N/A ARG 233.A NH2 LYS 178.A O no hydrogen 2.822 N/A VAL 234.A N HIS 211.A O no hydrogen 3.293 N/A SER 235.A OG ASP 127.A O no hydrogen 3.293 N/A ALA 236.A N ARG 233.A O no hydrogen 2.965 N/A ILE 238.A N SER 235.A O no hydrogen 3.155 N/A ILE 241.A N PHE 237.A O no hydrogen 3.054 N/A ASN 242.A N ILE 238.A O no hydrogen 3.154 N/A GLU 243.A N ASP 239.A O no hydrogen 3.234 N/A THR 244.A N TRP 240.A O no hydrogen 3.117 N/A THR 244.A OG1 TRP 240.A O no hydrogen 3.224 N/A ILE 245.A N ILE 241.A O no hydrogen 3.135 N/A ALA 246.A N ASN 242.A O no hydrogen 2.882 N/A SER 247.A N GLU 243.A O no hydrogen 2.528 N/A SER 247.A OG GLU 243.A O no hydrogen 2.935 N/A ASN 248.A ND2 THR 244.A O no hydrogen 2.935 N/A LYS 28A.A N ALA 31.A O no hydrogen 2.683 N/A LYS 28A.A NZ ASP 29B.A OD2 no hydrogen 3.432 N/A ARG 57A.A N SER 54.A O no hydrogen 3.018 N/A THR 224A.A OG1 GLY 221.A O no hydrogen 2.983 N/A