Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pvd_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ARG 178.A O no hydrogen 3.287 N/A ARG 1.A NH1 THR 179.A OG1 no hydrogen 2.793 N/A ARG 1.A NH1 SER 261.A OG no hydrogen 3.155 N/A ARG 1.A NH2 LEU 176.A O no hydrogen 3.100 N/A ARG 1.A NH2 ARG 178.A O no hydrogen 2.637 N/A HIS 3.A N LEU 100.A O no hydrogen 3.065 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 3.069 N/A SER 4.A N ASP 29.A OD2 no hydrogen 2.747 N/A LEU 5.A N CYS 98.A O no hydrogen 2.905 N/A ARG 6.A N TYR 27.A O no hydrogen 3.007 N/A TYR 7.A N ILE 96.A O no hydrogen 2.772 N/A PHE 8.A N VAL 25.A O no hydrogen 2.826 N/A ARG 9.A N ARG 94.A O no hydrogen 2.866 N/A LEU 10.A N ILE 23.A O no hydrogen 2.736 N/A GLY 11.A N TYR 92.A O no hydrogen 2.685 N/A VAL 12.A N GLU 21.A O no hydrogen 2.941 N/A SER 13.A N HIS 90.A O no hydrogen 3.021 N/A SER 13.A OG GLN 81.A OE1 no hydrogen 2.900 N/A SER 13.A OG GLY 88.A O no hydrogen 3.296 N/A SER 13.A OG HIS 90.A O no hydrogen 3.531 N/A VAL 19.A N ILE 16.A O no hydrogen 2.755 N/A PHE 22.A N SER 38.A OG no hydrogen 3.033 N/A ILE 23.A N LEU 10.A O no hydrogen 2.883 N/A SER 24.A N TYR 36.A O no hydrogen 2.830 N/A SER 24.A OG PHE 8.A O no hydrogen 2.859 N/A VAL 25.A N PHE 8.A O no hydrogen 3.188 N/A GLY 26.A N THR 34.A O no hydrogen 3.112 N/A TYR 27.A N ARG 6.A O no hydrogen 2.777 N/A VAL 28.A N HIS 31.A O no hydrogen 2.892 N/A SER 30.A OG.A TYR 238.A OH no hydrogen 3.133 N/A HIS 31.A N VAL 28.A O no hydrogen 2.417 N/A HIS 31.A NE2 TYR 206.A OH no hydrogen 2.600 N/A ILE 33.A N GLY 26.A O no hydrogen 2.817 N/A THR 35.A N GLU 44.A O no hydrogen 2.859 N/A TYR 36.A N SER 24.A O no hydrogen 2.883 N/A TYR 36.A OH GLN 70.A OE1 no hydrogen 2.705 N/A SER 38.A N PHE 22.A O no hydrogen 2.935 N/A SER 38.A OG PHE 22.A O no hydrogen 3.411 N/A VAL 39.A N ASP 37.A OD1 no hydrogen 2.851 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.819 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.553 N/A THR 40.A OG1 ASP 37.A OD1 no hydrogen 3.499 N/A THR 40.A OG1 GLN 42.A O no hydrogen 3.370 N/A ARG 41.A N ASP 37.A O no hydrogen 2.988 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.333 N/A LYS 43.A N THR 63.A OG1 no hydrogen 3.104 N/A GLU 44.A N THR 35.A O no hydrogen 2.825 N/A ARG 46.A N ILE 33.A O no hydrogen 2.752 N/A ARG 46.A NH1 PRO 45.A O no hydrogen 3.355 N/A MET 50.A N ALA 47.A O no hydrogen 3.132 N/A ALA 51.A N ALA 47.A O no hydrogen 3.312 N/A GLU 52.A N PRO 48.A O no hydrogen 3.034 N/A ASN 53.A N MET 50.A O no hydrogen 3.340 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 2.681 N/A LEU 54.A N MET 50.A O no hydrogen 3.211 N/A HIS 58.A N ALA 55.A O no hydrogen 2.878 N/A TRP 59.A NE1 LEU 54.A O no hydrogen 3.055 N/A GLU 60.A N PRO 56.A O no hydrogen 3.017 N/A ARG 61.A N ASP 57.A O no hydrogen 3.155 N/A TYR 62.A N HIS 58.A O no hydrogen 3.075 N/A THR 63.A N TRP 59.A O no hydrogen 2.957 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.560 N/A GLN 64.A N GLU 60.A O no hydrogen 3.281 N/A LEU 65.A N ARG 61.A O no hydrogen 3.141 N/A LEU 66.A N TYR 62.A O no hydrogen 2.875 N/A ARG 67.A N THR 63.A O no hydrogen 3.040 N/A ARG 67.A NE ARG 41.A O no hydrogen 2.949 N/A ARG 67.A NH2 ARG 41.A O no hydrogen 2.959 N/A GLY 68.A N GLN 64.A O no hydrogen 3.164 N/A TRP 69.A N LEU 65.A O no hydrogen 2.782 N/A GLN 70.A N LEU 66.A O no hydrogen 2.761 N/A GLN 71.A N ARG 67.A O no hydrogen 3.416 N/A MET 72.A N GLY 68.A O no hydrogen 3.058 N/A PHE 73.A N TRP 69.A O no hydrogen 2.983 N/A LYS 74.A N GLN 70.A O no hydrogen 3.117 N/A LYS 74.A NZ GLU 21.A OE2 no hydrogen 2.531 N/A VAL 75.A N GLN 71.A O no hydrogen 3.027 N/A GLU 76.A N MET 72.A O no hydrogen 2.905 N/A LEU 77.A N PHE 73.A O no hydrogen 2.888 N/A LYS 78.A N LYS 74.A O no hydrogen 2.949 N/A ARG 79.A N VAL 75.A O no hydrogen 3.101 N/A LEU 80.A N GLU 76.A O no hydrogen 3.006 N/A GLN 81.A N LEU 77.A O no hydrogen 2.929 N/A GLN 81.A NE2 HIS 86.A O no hydrogen 2.914 N/A GLN 81.A NE2 GLY 88.A O no hydrogen 2.772 N/A ARG 82.A N LYS 78.A O no hydrogen 3.065 N/A ARG 82.A NH1 ARG 82.A O no hydrogen 3.129 N/A HIS 83.A N ARG 79.A O no hydrogen 3.058 N/A HIS 83.A ND1 ARG 79.A O no hydrogen 2.781 N/A TYR 84.A N LEU 80.A O no hydrogen 2.819 N/A TYR 84.A OH ASP 133.A OD1 no hydrogen 3.382 N/A TYR 84.A OH ASP 133.A OD2 no hydrogen 2.639 N/A ASN 85.A N ARG 82.A O no hydrogen 3.184 N/A HIS 86.A N GLN 81.A O no hydrogen 3.153 N/A HIS 86.A ND1 TYR 114.A OH no hydrogen 3.158 N/A SER 89.A OG ASP 14.A O no hydrogen 3.395 N/A HIS 90.A N SER 13.A OG no hydrogen 2.893 N/A HIS 90.A ND1 ASP 115.A OD2 no hydrogen 2.774 N/A HIS 90.A NE2 SER 87.A O no hydrogen 2.840 N/A THR 91.A N ASP 115.A OD1 no hydrogen 3.145 N/A TYR 92.A N GLY 11.A O no hydrogen 2.777 N/A TYR 92.A OH GLU 76.A OE1 no hydrogen 2.706 N/A GLN 93.A N ALA 113.A O no hydrogen 2.839 N/A ARG 94.A N ARG 9.A O no hydrogen 2.969 N/A ARG 94.A NE TYR 112.A OH no hydrogen 2.848 N/A MET 95.A N GLN 111.A O no hydrogen 2.978 N/A ILE 96.A N TYR 7.A O no hydrogen 3.046 N/A GLY 97.A N PHE 109.A O no hydrogen 3.052 N/A CYS 98.A N LEU 5.A O no hydrogen 2.861 N/A GLU 99.A N THR 107.A O no hydrogen 2.984 N/A LEU 100.A N HIS 3.A O no hydrogen 2.774 N/A LEU 101.A N SER 105.A O no hydrogen 2.789 N/A GLU 102.A N THR 2.A OG1 no hydrogen 3.275 N/A GLY 104.A N LEU 101.A O no hydrogen 3.140 N/A SER 105.A N ASP 103.A OD1 no hydrogen 3.167 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.667 N/A SER 105.A OG ASP 103.A OD2 no hydrogen 3.554 N/A THR 107.A N GLU 99.A O no hydrogen 3.011 N/A THR 107.A OG1 GLU 99.A OE2 no hydrogen 3.163 N/A PHE 109.A N GLY 97.A O no hydrogen 2.953 N/A GLN 111.A N MET 95.A O no hydrogen 3.022 N/A TYR 112.A N LEU 120.A O no hydrogen 2.764 N/A ALA 113.A N GLN 93.A O no hydrogen 2.851 N/A TYR 114.A N GLN 117.A O no hydrogen 2.978 N/A TYR 114.A OH HIS 86.A ND1 no hydrogen 3.158 N/A ASP 115.A N THR 91.A O no hydrogen 2.882 N/A GLN 117.A N TYR 114.A O no hydrogen 3.260 N/A PHE 119.A N TYR 112.A O no hydrogen 2.798 N/A LEU 120.A N TYR 112.A O no hydrogen 3.326 N/A ILE 121.A N LEU 130.A O no hydrogen 3.081 N/A PHE 122.A N LEU 110.A O no hydrogen 2.845 N/A ASN 123.A N SER 128.A O no hydrogen 2.928 N/A LYS 124.A NZ GLU 158.A OE2 no hydrogen 2.878 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.964 N/A THR 126.A N ASN 123.A OD1 no hydrogen 2.982 N/A THR 126.A OG1 SER 128.A OG no hydrogen 2.671 N/A SER 128.A N ASN 123.A O no hydrogen 3.213 N/A SER 128.A OG THR 126.A OG1 no hydrogen 2.671 N/A TRP 129.A N GLU 144.A OE2 no hydrogen 2.773 N/A LEU 130.A N ILE 121.A O no hydrogen 2.820 N/A VAL 132.A N PHE 119.A O no hydrogen 3.369 N/A ALA 136.A N ASP 133.A OD1 no hydrogen 2.879 N/A HIS 137.A N ASP 133.A O no hydrogen 2.835 N/A THR 138.A N ASN 134.A O no hydrogen 3.078 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.093 N/A ILE 139.A N VAL 135.A O no hydrogen 3.297 N/A LYS 140.A N ALA 136.A O no hydrogen 2.787 N/A LYS 140.A NZ TRP 129.A O no hydrogen 2.695 N/A LYS 140.A NZ GLU 144.A OE1 no hydrogen 3.420 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 2.629 N/A GLN 141.A N HIS 137.A O no hydrogen 3.102 N/A ALA 142.A N THR 138.A O no hydrogen 3.314 N/A TRP 143.A N ILE 139.A O no hydrogen 2.883 N/A GLU 144.A N LYS 140.A O no hydrogen 2.756 N/A ALA 145.A N GLN 141.A O no hydrogen 3.148 N/A ASN 146.A N TRP 143.A O no hydrogen 3.142 N/A GLU 149.A N ASN 146.A O no hydrogen 3.224 N/A LEU 150.A N ASN 146.A O no hydrogen 3.454 N/A LEU 151.A N GLN 147.A O no hydrogen 3.094 N/A TYR 152.A N HIS 148.A O no hydrogen 2.852 N/A GLN 153.A N GLU 149.A O no hydrogen 2.981 N/A LYS 154.A N LEU 150.A O no hydrogen 2.965 N/A LYS 154.A NZ LYS 124.A O no hydrogen 2.946 N/A LYS 154.A NZ GLU 158.A OE1 no hydrogen 3.478 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 2.560 N/A ASN 155.A N LEU 151.A O no hydrogen 2.932 N/A TRP 156.A N TYR 152.A O no hydrogen 2.941 N/A LEU 157.A N GLN 153.A O no hydrogen 2.994 N/A GLU 158.A N LYS 154.A O no hydrogen 3.074 N/A GLU 159.A N ASN 155.A O no hydrogen 2.913 N/A GLU 160.A N ASN 155.A O no hydrogen 3.396 N/A CYS 161.A N TRP 156.A O no hydrogen 2.669 N/A ALA 163.A N GLU 159.A O no hydrogen 3.084 N/A TRP 164.A N GLU 160.A O no hydrogen 2.929 N/A LEU 165.A N CYS 161.A O no hydrogen 2.940 N/A LYS 166.A N ILE 162.A O no hydrogen 3.012 N/A ARG 167.A N ALA 163.A O no hydrogen 3.029 N/A ARG 167.A NE TYR 171.A OH no hydrogen 2.538 N/A PHE 168.A N TRP 164.A O no hydrogen 2.835 N/A LEU 169.A N LEU 165.A O no hydrogen 2.778 N/A GLU 170.A N LYS 166.A O no hydrogen 3.192 N/A TYR 171.A N ARG 167.A O no hydrogen 3.154 N/A GLY 172.A N PHE 168.A O no hydrogen 3.044 N/A LYS 173.A N GLU 170.A O no hydrogen 3.421 N/A LYS 173.A NZ GLU 170.A OE1 no hydrogen 2.846 N/A THR 175.A N GLY 172.A O no hydrogen 2.964 N/A LEU 176.A N GLY 172.A O no hydrogen 2.738 N/A GLN 177.A N LYS 173.A O no hydrogen 2.909 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.897 N/A ARG 178.A NH1 THR 175.A O no hydrogen 2.916 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 3.132 N/A ARG 178.A NH2 GLY 236.A O no hydrogen 3.222 N/A GLU 180.A N TYR 206.A O no hydrogen 2.789 N/A LEU 183.A N HIS 203.A O no hydrogen 2.899 N/A ARG 185.A N LYS 201.A O no hydrogen 2.923 N/A ASN 187.A N PHE 199.A O no hydrogen 3.093 N/A LYS 189.A N ALA 197.A O no hydrogen 3.245 N/A ALA 197.A N LYS 189.A O no hydrogen 3.258 N/A LEU 198.A N ILE 244.A O no hydrogen 2.880 N/A PHE 199.A N ASN 187.A O no hydrogen 2.914 N/A CYS 200.A N ALA 242.A O no hydrogen 2.859 N/A LYS 201.A N ARG 185.A O no hydrogen 2.899 N/A ALA 202.A N ALA 240.A O no hydrogen 2.912 N/A HIS 203.A N LEU 183.A O no hydrogen 3.042 N/A PHE 205.A N TYR 238.A O no hydrogen 3.372 N/A TYR 206.A N GLU 180.A O no hydrogen 2.909 N/A TYR 206.A OH HIS 31.A NE2 no hydrogen 2.600 N/A TYR 211.A N GLU 259.A O no hydrogen 2.970 N/A THR 213.A N HIS 257.A O no hydrogen 2.999 N/A THR 213.A OG1 TYR 227.A OH no hydrogen 3.282 N/A TRP 214.A NE1 ALA 242.A O no hydrogen 2.976 N/A MET 215.A N SER 255.A O no hydrogen 2.985 N/A LYS 216.A N GLU 219.A O no hydrogen 2.617 N/A ASN 217.A N LEU 253.A O no hydrogen 2.898 N/A ASN 217.A ND2 ASN 252.A OD1 no hydrogen 3.149 N/A GLU 219.A N LYS 216.A O no hydrogen 2.986 N/A GLU 224.A N ILE 221.A O no hydrogen 3.294 N/A ILE 225.A N VAL 222.A O no hydrogen 3.358 N/A ASP 226.A N SER 243.A O no hydrogen 2.747 N/A TYR 227.A OH THR 213.A OG1 no hydrogen 3.282 N/A GLY 228.A N TRP 241.A O no hydrogen 2.864 N/A LEU 231.A N GLN 239.A O no hydrogen 2.821 N/A SER 233.A N THR 237.A O no hydrogen 2.928 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.079 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.617 N/A THR 237.A OG1 ASP 235.A OD2 no hydrogen 3.311 N/A TYR 238.A N PHE 205.A O no hydrogen 2.962 N/A GLN 239.A N LEU 231.A O no hydrogen 2.941 N/A GLN 239.A NE2 SER 233.A OG no hydrogen 2.776 N/A ALA 240.A N ALA 202.A O no hydrogen 2.940 N/A ALA 242.A N CYS 200.A O no hydrogen 2.952 N/A SER 243.A N ASP 226.A O no hydrogen 2.782 N/A ILE 244.A N LEU 198.A O no hydrogen 3.076 N/A LEU 246.A N THR 196.A O no hydrogen 2.930 N/A GLN 249.A N ASP 247.A OD1 no hydrogen 3.377 N/A SER 250.A OG SER 251.A O no hydrogen 3.473 N/A LEU 253.A N ASN 217.A OD1 no hydrogen 2.929 N/A SER 255.A N MET 215.A O no hydrogen 3.028 N/A SER 255.A OG HIS 257.A NE2 no hydrogen 3.120 N/A CYS 256.A N LEU 267.A O no hydrogen 2.896 N/A CYS 256.A SG THR 213.A O no hydrogen 3.874 N/A HIS 257.A N THR 213.A O no hydrogen 2.934 N/A HIS 257.A ND1 HIS 264.A NE2.A no hydrogen 3.024 N/A HIS 257.A NE2 SER 255.A OG no hydrogen 3.120 N/A VAL 258.A N MET 265.A O no hydrogen 2.927 N/A GLU 259.A N TYR 211.A O no hydrogen 2.770 N/A HIS 260.A N VAL 263.A O no hydrogen 2.967 N/A HIS 260.A NE2 PRO 207.A O no hydrogen 2.972 N/A VAL 263.A N HIS 260.A O no hydrogen 3.047 N/A HIS 264.A NE2.A HIS 257.A ND1 no hydrogen 3.024 N/A MET 265.A N VAL 258.A O no hydrogen 2.693 N/A LEU 267.A N CYS 256.A O no hydrogen 2.833 N/A VAL 269.A N TYR 254.A O no hydrogen 3.017 N/A