Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N GLU 2.A OE2 no hydrogen 3.386 N/A LEU 6.A N GLU 2.A O no hydrogen 3.382 N/A GLU 7.A N LEU 3.A O no hydrogen 3.299 N/A GLU 7.A N ASN 4.A O no hydrogen 2.961 N/A LYS 8.A N ASN 4.A O no hydrogen 3.385 N/A LYS 9.A N ASP 5.A O no hydrogen 2.874 N/A LYS 9.A NZ TYR 10.A OH no hydrogen 3.230 N/A LYS 9.A NZ GLU 247.A OE1 no hydrogen 3.232 N/A LYS 9.A NZ GLU 247.A OE2 no hydrogen 3.245 N/A TYR 10.A N LEU 6.A O no hydrogen 2.822 N/A TYR 10.A OH GLU 247.A OE1 no hydrogen 2.936 N/A TYR 10.A OH GLU 247.A OE2 no hydrogen 3.175 N/A ASN 11.A N LYS 8.A O no hydrogen 3.412 N/A HIS 13.A N ASN 232.A O no hydrogen 2.693 N/A ILE 14.A N GLU 7.A OE2 no hydrogen 2.795 N/A GLY 15.A N PHE 230.A O no hydrogen 2.594 N/A VAL 16.A N PHE 29.A O no hydrogen 2.725 N/A TYR 17.A N VAL 228.A O no hydrogen 3.069 N/A TYR 17.A OH GLU 26.A OE2 no hydrogen 2.861 N/A ALA 18.A N VAL 27.A O no hydrogen 2.836 N/A LEU 19.A N VAL 226.A O no hydrogen 2.848 N/A ASP 20.A N LYS 25.A O no hydrogen 2.752 N/A THR 21.A N PRO 224.A O no hydrogen 3.215 N/A THR 21.A OG1 PRO 224.A O no hydrogen 3.326 N/A LYS 22.A N ASP 20.A OD1 no hydrogen 2.734 N/A SER 23.A N ASP 20.A OD2 no hydrogen 3.086 N/A SER 23.A OG ASP 20.A OD2 no hydrogen 2.497 N/A LYS 25.A N SER 23.A OG no hydrogen 2.924 N/A LYS 25.A NZ GLU 255.A O no hydrogen 3.068 N/A LYS 25.A NZ GLU 255.A OE1 no hydrogen 2.811 N/A VAL 27.A N ALA 18.A O no hydrogen 2.868 N/A LYS 28.A NZ GLU 26.A O no hydrogen 3.565 N/A LYS 28.A NZ GLU 26.A OE1 no hydrogen 3.225 N/A PHE 29.A N VAL 16.A O no hydrogen 3.347 N/A ASN 30.A ND2 ILE 14.A O no hydrogen 2.885 N/A LYS 33.A N ASN 30.A O no hydrogen 3.048 N/A ARG 34.A NH1 VAL 126.A O no hydrogen 2.761 N/A ARG 34.A NH1 THR 147.A OG1 no hydrogen 3.091 N/A ARG 34.A NH2 VAL 126.A O no hydrogen 2.800 N/A PHE 35.A N SER 148.A O no hydrogen 3.142 N/A SER 39.A OG GLU 133.A OE2 no hydrogen 2.662 N/A THR 40.A OG1 TYR 37.A O no hydrogen 2.581 N/A SER 41.A N ALA 38.A O no hydrogen 3.092 N/A SER 41.A OG ALA 38.A O no hydrogen 2.851 N/A LYS 42.A N SER 39.A O no hydrogen 3.320 N/A LYS 42.A NZ SER 97.A O no hydrogen 2.686 N/A LYS 42.A NZ SER 97.A OG no hydrogen 3.261 N/A LYS 42.A NZ ASP 98.A O no hydrogen 3.371 N/A LYS 42.A NZ ASN 99.A OD1 no hydrogen 2.983 N/A ALA 43.A N THR 40.A O no hydrogen 3.020 N/A ASN 45.A N SER 41.A O no hydrogen 3.020 N/A ASN 45.A ND2 ASN 102.A OD1 no hydrogen 2.651 N/A SER 46.A N LYS 42.A O no hydrogen 3.373 N/A SER 46.A OG LYS 42.A O no hydrogen 2.884 N/A ALA 47.A N ALA 43.A O no hydrogen 2.755 N/A ILE 48.A N ILE 44.A O no hydrogen 3.041 N/A LEU 49.A N ASN 45.A O no hydrogen 3.247 N/A LEU 50.A N SER 46.A O no hydrogen 3.221 N/A GLU 51.A N ILE 48.A O no hydrogen 2.866 N/A GLN 52.A N LEU 49.A O no hydrogen 3.274 N/A VAL 53.A N LEU 49.A O no hydrogen 2.952 N/A LYS 57.A N PRO 54.A O no hydrogen 2.949 N/A LYS 57.A NZ ASN 56.A OD1 no hydrogen 3.135 N/A LEU 58.A N TYR 55.A O no hydrogen 3.364 N/A LYS 60.A N LYS 57.A O no hydrogen 3.173 N/A LYS 60.A NZ LYS 61.A O no hydrogen 3.198 N/A VAL 62.A N ILE 84.A O no hydrogen 2.962 N/A HIS 63.A ND1 ASP 83.A OD1 no hydrogen 2.961 N/A ILE 64.A N LYS 82.A O no hydrogen 2.613 N/A ASN 65.A N ASP 68.A OD2 no hydrogen 3.223 N/A ASP 68.A N ASN 65.A O no hydrogen 2.887 N/A ILE 69.A N LYS 66.A O no hydrogen 3.078 N/A VAL 70.A N THR 100.A OG1 no hydrogen 3.322 N/A SER 73.A OG VAL 70.A O no hydrogen 3.537 N/A SER 73.A OG ASP 98.A OD1 no hydrogen 2.818 N/A SER 73.A OG THR 100.A OG1 no hydrogen 2.658 N/A LEU 76.A N ASP 98.A OD2 no hydrogen 3.070 N/A GLU 77.A N SER 73.A O no hydrogen 2.930 N/A LYS 78.A N ILE 75.A O no hydrogen 2.760 N/A LYS 78.A NZ GLU 77.A OE2 no hydrogen 2.923 N/A TYR 79.A N LEU 76.A O no hydrogen 2.903 N/A GLY 81.A N ILE 64.A O no hydrogen 2.857 N/A LYS 82.A N TYR 79.A O no hydrogen 3.023 N/A ILE 84.A N VAL 62.A O no hydrogen 3.178 N/A LEU 86.A N LYS 60.A O no hydrogen 3.232 N/A LYS 87.A N LEU 58.A O no hydrogen 3.178 N/A LYS 87.A NZ TYR 55.A OH no hydrogen 2.927 N/A LEU 89.A N THR 85.A O no hydrogen 3.117 N/A ILE 90.A N LEU 86.A O no hydrogen 2.758 N/A GLU 91.A N LYS 87.A O no hydrogen 2.892 N/A ALA 92.A N ALA 88.A O no hydrogen 3.181 N/A SER 93.A N LEU 89.A O no hydrogen 3.312 N/A MET 94.A N ILE 90.A O no hydrogen 3.223 N/A THR 95.A N GLU 91.A O no hydrogen 2.709 N/A TYR 96.A N ALA 92.A O no hydrogen 2.940 N/A ASP 98.A N ALA 92.A O no hydrogen 3.067 N/A ASN 99.A N TYR 72.A O no hydrogen 3.402 N/A ASN 99.A ND2 ALA 71.A O no hydrogen 3.229 N/A ASN 99.A ND2 TYR 72.A O no hydrogen 2.912 N/A THR 100.A N SER 73.A OG no hydrogen 2.783 N/A THR 100.A OG1 ASP 68.A O no hydrogen 3.315 N/A THR 100.A OG1 SER 73.A OG no hydrogen 2.658 N/A ALA 101.A N ASP 98.A OD1 no hydrogen 3.023 N/A ASN 102.A ND2 ASN 103.A OD1 no hydrogen 3.627 N/A ASN 103.A N ASN 99.A O no hydrogen 3.042 N/A ASN 103.A ND2 GLU 133.A O no hydrogen 2.879 N/A LYS 104.A N THR 100.A O no hydrogen 3.106 N/A LYS 104.A NZ HIS 63.A O no hydrogen 3.015 N/A LYS 104.A NZ ASP 68.A OD2 no hydrogen 3.560 N/A ILE 105.A N ALA 101.A O no hydrogen 3.062 N/A ILE 106.A N ASN 102.A O no hydrogen 2.874 N/A LYS 107.A N ASN 103.A O no hydrogen 2.952 N/A GLU 108.A N LYS 104.A O no hydrogen 3.096 N/A ILE 109.A N ILE 105.A O no hydrogen 3.200 N/A ILE 109.A N ILE 106.A O no hydrogen 3.064 N/A GLY 110.A N ILE 106.A O no hydrogen 3.113 N/A GLY 110.A N LYS 107.A O no hydrogen 2.894 N/A GLY 111.A N ILE 106.A O no hydrogen 2.825 N/A ILE 112.A N TYR 132.A OH no hydrogen 3.422 N/A LYS 113.A NZ TYR 132.A OH no hydrogen 3.425 N/A LYS 114.A N GLY 111.A O no hydrogen 2.817 N/A VAL 115.A N GLY 111.A O no hydrogen 3.249 N/A LYS 116.A N ILE 112.A O no hydrogen 2.868 N/A LYS 116.A NZ ASN 128.A OD1 no hydrogen 3.491 N/A GLN 117.A N LYS 113.A O no hydrogen 3.233 N/A ARG 118.A N LYS 114.A O no hydrogen 2.974 N/A ARG 118.A NH2 GLU 51.A OE2 no hydrogen 2.912 N/A LEU 119.A N VAL 115.A O no hydrogen 3.214 N/A LYS 120.A N LYS 116.A O no hydrogen 3.241 N/A GLU 121.A N GLN 117.A O no hydrogen 2.726 N/A LEU 122.A N ARG 118.A O no hydrogen 2.727 N/A GLY 123.A N LYS 120.A O no hydrogen 2.676 N/A ASP 124.A N LEU 119.A O no hydrogen 2.858 N/A LYS 125.A NZ LYS 120.A O no hydrogen 2.767 N/A VAL 126.A N ASP 124.A OD1 no hydrogen 2.893 N/A THR 127.A N ASP 124.A OD1 no hydrogen 2.942 N/A THR 127.A OG1 ASP 124.A OD1 no hydrogen 3.262 N/A THR 127.A OG1 ASP 124.A OD2 no hydrogen 2.762 N/A THR 127.A OG1 SER 148.A OG no hydrogen 3.197 N/A ASN 128.A N THR 147.A O no hydrogen 3.019 N/A ASN 128.A ND2 LYS 144.A O no hydrogen 3.167 N/A VAL 130.A N ASP 146.A OD1 no hydrogen 3.469 N/A ARG 131.A N ASP 146.A OD1 no hydrogen 2.986 N/A ARG 131.A NE ASP 146.A OD2 no hydrogen 2.811 N/A ARG 131.A NH1 TYR 138.A O no hydrogen 3.311 N/A ARG 131.A NH2 TYR 138.A O no hydrogen 3.355 N/A ARG 131.A NH2 LYS 145.A O no hydrogen 3.444 N/A ARG 131.A NH2 ASP 146.A OD2 no hydrogen 3.020 N/A GLU 133.A N ASN 103.A OD1 no hydrogen 3.207 N/A LEU 136.A N TYR 132.A O no hydrogen 2.811 N/A ASN 137.A N ILE 134.A O no hydrogen 3.077 N/A ASN 137.A ND2 GLU 133.A OE1 no hydrogen 2.830 N/A ASN 137.A ND2 ILE 134.A O no hydrogen 2.889 N/A TYR 138.A N GLU 135.A O no hydrogen 3.230 N/A TYR 139.A N ASN 137.A O no hydrogen 2.937 N/A LYS 142.A N SER 140.A OG no hydrogen 3.255 N/A SER 143.A N SER 140.A O no hydrogen 3.012 N/A LYS 145.A N SER 143.A OG no hydrogen 3.037 N/A ASP 146.A N ASN 128.A O no hydrogen 3.031 N/A THR 147.A N LYS 144.A O no hydrogen 3.112 N/A THR 147.A OG1 LYS 144.A O no hydrogen 2.377 N/A SER 148.A N PHE 35.A O no hydrogen 3.086 N/A SER 148.A OG THR 127.A OG1 no hydrogen 3.197 N/A SER 148.A OG THR 149.A O no hydrogen 3.522 N/A THR 149.A OG1 SER 31.A O no hydrogen 3.000 N/A ALA 151.A N SER 31.A O no hydrogen 2.725 N/A ALA 152.A N THR 149.A OG1 no hydrogen 3.061 N/A PHE 153.A N THR 149.A O no hydrogen 3.121 N/A GLY 154.A N PRO 150.A O no hydrogen 2.883 N/A LYS 155.A N ALA 151.A O no hydrogen 3.135 N/A THR 156.A N ALA 152.A O no hydrogen 3.148 N/A THR 156.A OG1 ASP 124.A OD2 no hydrogen 2.406 N/A THR 156.A OG1 ALA 152.A O no hydrogen 3.372 N/A LEU 157.A N PHE 153.A O no hydrogen 3.197 N/A ASN 158.A N GLY 154.A O no hydrogen 3.401 N/A ASN 158.A ND2 LYS 155.A O no hydrogen 3.531 N/A LYS 159.A N LYS 155.A O no hydrogen 2.725 N/A LYS 159.A NZ LEU 122.A O no hydrogen 3.081 N/A LEU 160.A N THR 156.A O no hydrogen 2.952 N/A ILE 161.A N LEU 157.A O no hydrogen 3.268 N/A ILE 161.A N ASN 158.A O no hydrogen 3.063 N/A ASN 163.A N ASN 158.A O no hydrogen 3.165 N/A ASN 163.A ND2 ASN 158.A OD1 no hydrogen 3.058 N/A GLY 164.A N ILE 161.A O no hydrogen 2.849 N/A LYS 165.A NZ LYS 159.A O no hydrogen 2.774 N/A SER 167.A OG GLU 169.A OE1 no hydrogen 3.387 N/A ASN 170.A N SER 167.A OG no hydrogen 2.793 N/A ASN 170.A ND2 LEU 50.A O no hydrogen 2.726 N/A ASN 170.A ND2 VAL 53.A O no hydrogen 3.282 N/A LYS 171.A NZ ILE 161.A O no hydrogen 3.483 N/A LYS 171.A NZ ALA 162.A O no hydrogen 2.804 N/A LYS 172.A N LYS 168.A O no hydrogen 3.235 N/A LYS 172.A NZ ASP 176.A OD1 no hydrogen 3.228 N/A PHE 173.A N GLU 169.A O no hydrogen 2.973 N/A PHE 173.A N ASN 170.A O no hydrogen 2.805 N/A LEU 174.A N ASN 170.A O no hydrogen 2.840 N/A LEU 175.A N LYS 171.A O no hydrogen 2.969 N/A ASP 176.A N LYS 172.A O no hydrogen 3.266 N/A ASP 176.A N PHE 173.A O no hydrogen 2.882 N/A LEU 177.A N PHE 173.A O no hydrogen 3.184 N/A MET 178.A N LEU 174.A O no hydrogen 2.916 N/A LEU 179.A N ASP 176.A O no hydrogen 3.013 N/A ASN 180.A N ASP 176.A O no hydrogen 2.923 N/A ASN 180.A N LEU 177.A O no hydrogen 2.902 N/A ASN 180.A ND2 ASP 176.A O no hydrogen 2.737 N/A ASN 181.A ND2 MET 94.A O no hydrogen 2.776 N/A SER 183.A N ASN 181.A OD1 no hydrogen 3.208 N/A THR 186.A OG1 ASP 242.A OD2 no hydrogen 2.837 N/A LEU 187.A N GLY 184.A O no hydrogen 2.850 N/A ASP 190.A N LEU 187.A O no hydrogen 2.764 N/A GLY 191.A N ILE 188.A O no hydrogen 2.706 N/A VAL 192.A N ILE 188.A O no hydrogen 3.057 N/A TYR 196.A N PRO 193.A O no hydrogen 2.995 N/A LYS 197.A N TYR 217.A O no hydrogen 3.027 N/A ALA 199.A N PHE 215.A O no hydrogen 2.969 N/A ASP 200.A N MET 178.A O no hydrogen 2.635 N/A LYS 201.A N VAL 213.A O no hydrogen 2.867 N/A LYS 201.A NZ SER 93.A O no hydrogen 3.442 N/A GLY 203.A N ASN 211.A O no hydrogen 3.222 N/A SER 205.A N SER 209.A O no hydrogen 2.961 N/A SER 205.A OG ASN 137.A O no hydrogen 3.298 N/A SER 205.A OG ASN 137.A OD1 no hydrogen 3.085 N/A THR 206.A N ASN 137.A O no hydrogen 3.078 N/A THR 206.A OG1 ASN 137.A O no hydrogen 3.544 N/A THR 206.A OG1 TYR 139.A O no hydrogen 2.502 N/A TYR 207.A N LYS 236.A O no hydrogen 2.933 N/A SER 209.A OG THR 206.A O no hydrogen 2.540 N/A ARG 210.A NE ASP 242.A OD1 no hydrogen 3.054 N/A ARG 210.A NH1 GLY 203.A O no hydrogen 3.326 N/A ARG 210.A NH2 ASP 242.A OD2 no hydrogen 3.559 N/A ASN 211.A N GLY 203.A O no hydrogen 2.917 N/A ASN 211.A ND2 ALA 36.A O no hydrogen 2.807 N/A ASN 211.A ND2 TYR 37.A O no hydrogen 3.267 N/A ASP 212.A N ILE 229.A O no hydrogen 3.115 N/A VAL 213.A N LYS 201.A O no hydrogen 3.091 N/A ALA 214.A N LEU 227.A O no hydrogen 3.200 N/A PHE 215.A N ALA 199.A O no hydrogen 2.837 N/A VAL 216.A N ILE 225.A O no hydrogen 2.863 N/A TYR 217.A N LYS 197.A O no hydrogen 2.689 N/A GLN 221.A N PRO 218.A O no hydrogen 3.397 N/A GLN 221.A NE2 GLU 223.A O no hydrogen 2.917 N/A SER 222.A OG GLU 223.A OE1 no hydrogen 3.020 N/A SER 222.A OG GLU 223.A OE2 no hydrogen 2.642 N/A ILE 225.A N VAL 216.A O no hydrogen 2.703 N/A VAL 226.A N LEU 19.A O no hydrogen 2.935 N/A LEU 227.A N ALA 214.A O no hydrogen 3.053 N/A VAL 228.A N TYR 17.A O no hydrogen 2.903 N/A ILE 229.A N ASP 212.A O no hydrogen 3.144 N/A PHE 230.A N GLY 15.A O no hydrogen 2.685 N/A THR 231.A N ASN 211.A OD1 no hydrogen 2.811 N/A THR 231.A OG1 ARG 210.A O no hydrogen 2.377 N/A ASN 232.A N HIS 13.A O no hydrogen 3.199 N/A LYS 233.A N TYR 207.A O no hydrogen 2.864 N/A LYS 233.A NZ LYS 239.A O no hydrogen 3.095 N/A ASN 235.A N ASP 238.A OD2 no hydrogen 3.029 N/A ASP 238.A N ASN 235.A O no hydrogen 2.949 N/A LYS 243.A N ASN 241.A OD1 no hydrogen 3.243 N/A LEU 244.A N ASN 241.A O no hydrogen 2.969 N/A ILE 245.A N ASP 242.A O no hydrogen 2.922 N/A SER 246.A N ASP 242.A O no hydrogen 2.903 N/A SER 246.A OG ASP 190.A OD2 no hydrogen 3.000 N/A GLU 247.A N LYS 243.A O no hydrogen 2.706 N/A THR 248.A N LEU 244.A O no hydrogen 2.939 N/A THR 248.A OG1 LEU 244.A O no hydrogen 2.690 N/A ALA 249.A N ILE 245.A O no hydrogen 2.863 N/A LYS 250.A N SER 246.A O no hydrogen 3.328 N/A SER 251.A N GLU 247.A O no hydrogen 3.144 N/A SER 251.A OG GLU 247.A O no hydrogen 3.004 N/A VAL 252.A N THR 248.A O no hydrogen 3.273 N/A MET 253.A N ALA 249.A O no hydrogen 2.949 N/A LYS 254.A NZ LYS 250.A O no hydrogen 2.859 N/A GLU 255.A N VAL 252.A O no hydrogen 2.989 N/A PHE 256.A N MET 253.A O no hydrogen 3.316 N/A