Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pto_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ALA 178.A O no hydrogen 2.752 N/A GLN 11.A N PRO 8.A O no hydrogen 2.849 N/A ILE 12.A N GLN 9.A O no hydrogen 3.358 N/A THR 13.A N CYS 86.A O no hydrogen 3.023 N/A THR 13.A OG1 HIS 15.A O no hydrogen 3.339 N/A THR 13.A OG1 CYS 86.A O no hydrogen 2.904 N/A HIS 15.A ND1 GLN 14.A OE1 no hydrogen 2.637 N/A SER 17.A N THR 84.A O no hydrogen 2.824 N/A ARG 21.A N PRO 18.A O no hydrogen 2.751 N/A ARG 21.A NH1 CYS 22.A O no hydrogen 3.256 N/A ARG 21.A NH1 ASN 24.A OD1 no hydrogen 3.272 N/A ARG 21.A NH2 ASN 24.A OD1 no hydrogen 3.352 N/A CYS 22.A SG PHE 85.A O no hydrogen 3.765 N/A LYS 25.A NZ ASN 115.A O no hydrogen 2.708 N/A LYS 25.A NZ ASN 115.A OD1 no hydrogen 3.500 N/A LYS 25.A NZ ASP 138.A OD1 no hydrogen 2.740 N/A THR 26.A N ALA 23.A O no hydrogen 3.316 N/A THR 26.A OG1 ALA 23.A O no hydrogen 2.763 N/A ARG 27.A N ILE 87.A O no hydrogen 2.761 N/A ARG 27.A NH1 GLU 33.A OE1 no hydrogen 3.276 N/A ARG 27.A NH2 GLU 33.A OE1 no hydrogen 3.414 N/A ARG 27.A NH2 GLU 33.A OE2 no hydrogen 2.984 N/A LEU 29.A N PHE 85.A O no hydrogen 3.063 N/A THR 30.A N GLU 33.A OE1 no hydrogen 3.417 N/A THR 30.A OG1 ASP 177.A OD1 no hydrogen 2.758 N/A VAL 31.A N ASP 58.A OD1 no hydrogen 2.880 N/A GLU 33.A N THR 30.A OG1 no hydrogen 2.756 N/A LEU 34.A N THR 30.A O no hydrogen 2.792 N/A ARG 35.A N VAL 31.A O no hydrogen 2.898 N/A ARG 35.A NH1 ASP 72.A OD1 no hydrogen 3.147 N/A ARG 35.A NH2 ILE 70.A O no hydrogen 3.349 N/A ARG 35.A NH2 ASP 72.A OD2 no hydrogen 3.318 N/A GLY 36.A N ALA 32.A O no hydrogen 3.254 N/A SER 37.A N GLU 33.A O no hydrogen 3.187 N/A SER 37.A N LEU 34.A O no hydrogen 2.895 N/A LEU 40.A N SER 37.A OG no hydrogen 3.063 N/A GLN 41.A N SER 37.A O no hydrogen 3.118 N/A GLU 42.A N GLY 38.A O no hydrogen 2.942 N/A TYR 43.A N ASP 39.A O no hydrogen 3.071 N/A LEU 44.A N LEU 40.A O no hydrogen 2.892 N/A ARG 45.A N GLN 41.A O no hydrogen 2.936 N/A HIS 46.A N GLU 42.A O no hydrogen 2.770 N/A VAL 47.A N LEU 44.A O no hydrogen 2.602 N/A THR 48.A N LEU 44.A O no hydrogen 2.722 N/A THR 48.A OG1 LEU 44.A O no hydrogen 3.008 N/A SER 52.A OG ARG 49.A O no hydrogen 2.929 N/A PHE 54.A N TYR 61.A O no hydrogen 2.751 N/A ALA 55.A N THR 83.A O no hydrogen 2.677 N/A LEU 56.A N GLY 59.A O no hydrogen 2.735 N/A TYR 57.A N LEU 29.A O no hydrogen 2.912 N/A GLY 59.A N LEU 56.A O no hydrogen 3.249 N/A THR 60.A N LYS 71.A O no hydrogen 2.974 N/A THR 60.A OG1 LYS 71.A O no hydrogen 3.474 N/A TYR 61.A N PHE 54.A O no hydrogen 2.787 N/A LEU 62.A N VAL 69.A O no hydrogen 2.981 N/A GLY 63.A N SER 52.A O no hydrogen 2.728 N/A GLU 65.A N GLY 50.A O no hydrogen 2.714 N/A TYR 66.A N GLY 63.A O no hydrogen 2.864 N/A GLY 67.A N GLY 64.A O no hydrogen 2.635 N/A LYS 71.A N THR 60.A O no hydrogen 2.957 N/A GLY 76.A N TYR 57.A O no hydrogen 2.819 N/A GLY 77.A N THR 74.A O no hydrogen 3.077 N/A PHE 79.A N GLY 76.A O no hydrogen 3.187 N/A LEU 81.A N ALA 78.A O no hydrogen 3.151 N/A THR 83.A OG1 LYS 82.A O no hydrogen 2.951 N/A THR 84.A N SER 17.A O no hydrogen 2.760 N/A THR 84.A OG1 SER 17.A O no hydrogen 3.540 N/A PHE 85.A N ALA 55.A O no hydrogen 2.959 N/A CYS 86.A SG SER 17.A OG no hydrogen 3.515 N/A ILE 87.A N ARG 27.A O no hydrogen 2.609 N/A MET 88.A N GLN 11.A O no hydrogen 2.509 N/A THR 89.A OG1 LYS 25.A O no hydrogen 2.790 N/A ARG 91.A N GLN 171.A O no hydrogen 2.705 N/A ARG 91.A NH1 TYR 173.A OH no hydrogen 2.600 N/A THR 93.A N ARG 91.A O no hydrogen 2.807 N/A THR 98.A OG1 PRO 96.A O no hydrogen 3.289 N/A THR 98.A OG1 HIS 100.A NE2 no hydrogen 2.907 N/A TYR 102.A N VAL 164.A O no hydrogen 2.917 N/A THR 106.A N VAL 123.A O no hydrogen 2.994 N/A THR 108.A N VAL 121.A O no hydrogen 2.763 N/A THR 108.A OG1 VAL 121.A O no hydrogen 2.753 N/A LEU 111.A N CYS 119.A O no hydrogen 3.054 N/A SER 116.A N SER 113.A O no hydrogen 3.157 N/A ARG 117.A NE ASP 174.A OD1 no hydrogen 2.857 N/A ARG 117.A NH2 THR 90.A OG1 no hydrogen 2.748 N/A LEU 118.A N THR 134.A O no hydrogen 2.936 N/A CYS 119.A N LEU 111.A O no hydrogen 3.124 N/A ALA 120.A N ALA 132.A O no hydrogen 2.829 N/A VAL 121.A N THR 108.A O no hydrogen 2.567 N/A PHE 122.A N ILE 130.A O no hydrogen 2.812 N/A VAL 123.A N THR 106.A O no hydrogen 2.729 N/A ARG 124.A N GLN 127.A O no hydrogen 2.752 N/A ARG 124.A NE SER 103.A O no hydrogen 3.095 N/A ARG 124.A NH2 SER 103.A O no hydrogen 2.502 N/A ILE 130.A N PHE 122.A O no hydrogen 3.420 N/A ALA 132.A N ALA 120.A O no hydrogen 2.962 N/A CYS 133.A N TYR 183.A O no hydrogen 3.159 N/A THR 134.A N LEU 118.A O no hydrogen 2.678 N/A SER 135.A OG ASP 138.A O no hydrogen 3.496 N/A SER 135.A OG ASP 138.A OD1 no hydrogen 3.448 N/A TYR 137.A N SER 135.A OG no hydrogen 2.909 N/A ASP 138.A N SER 135.A OG no hydrogen 3.114 N/A LYS 140.A NZ GLU 169.A OE2 no hydrogen 3.439 N/A TYR 141.A OH SER 167.A OG no hydrogen 3.341 N/A TYR 145.A N TRP 142.A O no hydrogen 2.932 N/A SER 146.A OG SER 143.A O no hydrogen 2.866 N/A LEU 148.A N MET 144.A O no hydrogen 2.903 N/A ARG 149.A N TYR 145.A O no hydrogen 2.769 N/A MET 151.A N ARG 147.A O no hydrogen 3.192 N/A LEU 152.A N LEU 148.A O no hydrogen 2.884 N/A TYR 153.A N ARG 149.A O no hydrogen 2.923 N/A LEU 154.A N LYS 150.A O no hydrogen 3.355 N/A ILE 155.A N MET 151.A O no hydrogen 3.072 N/A TYR 156.A N LEU 152.A O no hydrogen 3.011 N/A VAL 157.A N TYR 153.A O no hydrogen 3.156 N/A ALA 158.A N LEU 154.A O no hydrogen 2.910 N/A GLY 159.A N TYR 156.A O no hydrogen 3.361 N/A ILE 160.A N ILE 155.A O no hydrogen 2.757 N/A VAL 162.A N VAL 105.A O no hydrogen 2.851 N/A ARG 163.A N SER 189.A O no hydrogen 3.180 N/A ARG 163.A NE HIS 165.A NE2 no hydrogen 3.313 N/A ARG 163.A NH1 SER 103.A OG no hydrogen 2.795 N/A ARG 163.A NH2 CYS 198.A OXT no hydrogen 3.300 N/A VAL 164.A N TYR 102.A O no hydrogen 2.999 N/A HIS 165.A N GLY 187.A O no hydrogen 2.661 N/A HIS 165.A ND1 ASP 99.A OD1 no hydrogen 2.819 N/A VAL 166.A N HIS 100.A O no hydrogen 3.073 N/A SER 167.A N ALA 184.A O no hydrogen 2.935 N/A SER 167.A OG TYR 141.A OH no hydrogen 3.341 N/A SER 167.A OG GLU 169.A OE1 no hydrogen 2.699 N/A GLN 171.A N ARG 91.A O no hydrogen 2.750 N/A TYR 172.A N THR 182.A O no hydrogen 2.854 N/A TYR 173.A N THR 89.A O no hydrogen 2.687 N/A TYR 175.A OH ARG 109.A O no hydrogen 2.630 N/A ASP 177.A N GLU 33.A OE2 no hydrogen 3.141 N/A TYR 183.A N GLY 131.A O no hydrogen 2.799 N/A LEU 185.A N CYS 133.A O no hydrogen 3.074 N/A THR 186.A N HIS 165.A O no hydrogen 2.614 N/A GLY 187.A N HIS 165.A O no hydrogen 3.046 N/A SER 189.A N ARG 163.A O no hydrogen 3.115 N/A SER 189.A OG LEU 197.A O no hydrogen 3.481 N/A SER 189.A OG CYS 198.A O no hydrogen 2.878 N/A CYS 191.A SG ASN 192.A O no hydrogen 3.920 N/A SER 195.A N ASN 192.A O no hydrogen 2.768 N/A LEU 197.A N SER 195.A OG no hydrogen 3.042 N/A CYS 198.A N SER 195.A O no hydrogen 3.472 N/A CYS 198.A SG ASN 192.A O no hydrogen 3.381 N/A CYS 198.A SG SER 195.A O no hydrogen 3.642 N/A