Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pto_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ALA 176.A O no hydrogen 2.692 N/A GLN 9.A N PRO 6.A O no hydrogen 2.979 N/A ILE 10.A N GLN 7.A O no hydrogen 3.282 N/A THR 11.A N CYS 84.A O no hydrogen 3.080 N/A THR 11.A OG1 HIS 13.A O no hydrogen 3.486 N/A THR 11.A OG1 CYS 84.A O no hydrogen 2.939 N/A HIS 13.A ND1 GLN 12.A OE1 no hydrogen 2.688 N/A SER 15.A N THR 82.A O no hydrogen 2.769 N/A ARG 19.A N PRO 16.A O no hydrogen 2.732 N/A ARG 19.A NH1 CYS 20.A O no hydrogen 3.115 N/A ARG 19.A NH1 ASN 22.A OD1 no hydrogen 3.201 N/A ARG 19.A NH2 ASN 22.A OD1 no hydrogen 3.091 N/A CYS 20.A N GLY 18.A O no hydrogen 3.138 N/A CYS 20.A SG PHE 83.A O no hydrogen 3.900 N/A LYS 23.A NZ ASN 113.A O no hydrogen 3.042 N/A LYS 23.A NZ ASP 136.A OD2 no hydrogen 2.852 N/A THR 24.A N ALA 21.A O no hydrogen 3.393 N/A THR 24.A OG1 ALA 21.A O no hydrogen 2.632 N/A ARG 25.A N ILE 85.A O no hydrogen 2.742 N/A ARG 25.A NH1 GLU 31.A OE1 no hydrogen 3.262 N/A ARG 25.A NH2 GLU 31.A OE1 no hydrogen 3.343 N/A ARG 25.A NH2 GLU 31.A OE2 no hydrogen 2.893 N/A LEU 27.A N PHE 83.A O no hydrogen 2.866 N/A THR 28.A OG1 ASP 175.A OD1 no hydrogen 2.808 N/A VAL 29.A N ASP 56.A OD1 no hydrogen 2.923 N/A GLU 31.A N THR 28.A OG1 no hydrogen 2.790 N/A LEU 32.A N THR 28.A O no hydrogen 2.872 N/A ARG 33.A N VAL 29.A O no hydrogen 2.700 N/A ARG 33.A NH2 ILE 68.A O no hydrogen 3.423 N/A GLY 34.A N ALA 30.A O no hydrogen 3.425 N/A SER 35.A N GLU 31.A O no hydrogen 3.238 N/A SER 35.A N LEU 32.A O no hydrogen 2.818 N/A GLN 39.A N SER 35.A O no hydrogen 3.064 N/A GLU 40.A N GLY 36.A O no hydrogen 3.029 N/A TYR 41.A N ASP 37.A O no hydrogen 3.136 N/A LEU 42.A N LEU 38.A O no hydrogen 2.771 N/A ARG 43.A N GLN 39.A O no hydrogen 2.919 N/A HIS 44.A N GLU 40.A O no hydrogen 2.939 N/A VAL 45.A N LEU 42.A O no hydrogen 2.729 N/A THR 46.A OG1 LEU 42.A O no hydrogen 2.745 N/A SER 50.A OG ARG 47.A O no hydrogen 2.853 N/A PHE 52.A N TYR 59.A O no hydrogen 2.697 N/A ALA 53.A N THR 81.A O no hydrogen 2.811 N/A LEU 54.A N GLY 57.A O no hydrogen 2.597 N/A TYR 55.A N LEU 27.A O no hydrogen 2.884 N/A GLY 57.A N LEU 54.A O no hydrogen 3.093 N/A THR 58.A N LYS 69.A O no hydrogen 2.876 N/A THR 58.A OG1 LYS 69.A O no hydrogen 3.455 N/A TYR 59.A N PHE 52.A O no hydrogen 2.616 N/A LEU 60.A N VAL 67.A O no hydrogen 2.803 N/A GLY 61.A N SER 50.A O no hydrogen 2.857 N/A GLU 63.A N GLY 48.A O no hydrogen 2.755 N/A TYR 64.A N GLY 61.A O no hydrogen 2.843 N/A GLY 65.A N GLY 62.A O no hydrogen 2.723 N/A LYS 69.A N THR 58.A O no hydrogen 2.897 N/A GLY 74.A N TYR 55.A O no hydrogen 2.840 N/A GLY 75.A N THR 72.A O no hydrogen 2.935 N/A PHE 77.A N GLY 74.A O no hydrogen 2.891 N/A LEU 79.A N ALA 76.A O no hydrogen 3.283 N/A THR 81.A OG1 LYS 80.A O no hydrogen 2.835 N/A THR 82.A N SER 15.A O no hydrogen 2.709 N/A THR 82.A OG1 SER 15.A O no hydrogen 3.542 N/A PHE 83.A N ALA 53.A O no hydrogen 2.824 N/A CYS 84.A SG THR 82.A O no hydrogen 3.529 N/A ILE 85.A N ARG 25.A O no hydrogen 2.591 N/A MET 86.A N GLN 9.A O no hydrogen 2.580 N/A THR 87.A OG1 LYS 23.A O no hydrogen 2.682 N/A ARG 89.A N GLN 169.A O no hydrogen 2.800 N/A ARG 89.A NH1 TYR 171.A OH no hydrogen 2.608 N/A THR 91.A N ARG 89.A O no hydrogen 2.698 N/A THR 96.A N PRO 94.A O no hydrogen 2.752 N/A THR 96.A OG1 PRO 94.A O no hydrogen 3.233 N/A THR 96.A OG1 HIS 98.A NE2 no hydrogen 2.581 N/A TYR 100.A N VAL 162.A O no hydrogen 2.891 N/A THR 104.A N VAL 121.A O no hydrogen 2.938 N/A THR 106.A N VAL 119.A O no hydrogen 3.004 N/A THR 106.A OG1 THR 104.A O no hydrogen 3.499 N/A THR 106.A OG1 VAL 119.A O no hydrogen 2.832 N/A LEU 109.A N CYS 117.A O no hydrogen 2.986 N/A SER 114.A N SER 111.A O no hydrogen 3.081 N/A ARG 115.A NE ASP 172.A OD1 no hydrogen 2.701 N/A ARG 115.A NH2 THR 88.A OG1 no hydrogen 2.835 N/A ARG 115.A NH2 ASP 172.A OD1 no hydrogen 3.481 N/A LEU 116.A N THR 132.A O no hydrogen 2.841 N/A CYS 117.A N LEU 109.A O no hydrogen 3.000 N/A ALA 118.A N ALA 130.A O no hydrogen 2.871 N/A VAL 119.A N THR 106.A O no hydrogen 2.674 N/A PHE 120.A N ILE 128.A O no hydrogen 2.955 N/A VAL 121.A N THR 104.A O no hydrogen 2.804 N/A ARG 122.A N GLN 125.A O no hydrogen 2.802 N/A ARG 122.A NE SER 101.A O no hydrogen 3.263 N/A ARG 122.A NH2 SER 101.A O no hydrogen 2.623 N/A ILE 128.A N PHE 120.A O no hydrogen 3.470 N/A ALA 130.A N ALA 118.A O no hydrogen 2.989 N/A CYS 131.A N TYR 181.A O no hydrogen 3.238 N/A THR 132.A N LEU 116.A O no hydrogen 2.711 N/A SER 133.A OG SER 114.A O no hydrogen 2.951 N/A SER 133.A OG ASP 136.A OD2 no hydrogen 3.527 N/A TYR 135.A N SER 133.A OG no hydrogen 3.299 N/A LYS 138.A NZ GLU 167.A OE1 no hydrogen 3.564 N/A LYS 138.A NZ GLU 167.A OE2 no hydrogen 3.268 N/A TYR 143.A N TRP 140.A O no hydrogen 3.275 N/A SER 144.A OG SER 141.A O no hydrogen 3.294 N/A LEU 146.A N MET 142.A O no hydrogen 2.890 N/A ARG 147.A N TYR 143.A O no hydrogen 2.767 N/A MET 149.A N ARG 145.A O no hydrogen 3.354 N/A LEU 150.A N LEU 146.A O no hydrogen 2.857 N/A TYR 151.A N ARG 147.A O no hydrogen 2.729 N/A LEU 152.A N LYS 148.A O no hydrogen 3.162 N/A ILE 153.A N MET 149.A O no hydrogen 3.055 N/A TYR 154.A N LEU 150.A O no hydrogen 3.085 N/A VAL 155.A N TYR 151.A O no hydrogen 3.045 N/A ALA 156.A N LEU 152.A O no hydrogen 2.798 N/A ILE 158.A N ILE 153.A O no hydrogen 2.760 N/A VAL 160.A N VAL 103.A O no hydrogen 2.768 N/A ARG 161.A N SER 187.A O no hydrogen 3.157 N/A ARG 161.A NE HIS 163.A NE2 no hydrogen 3.326 N/A ARG 161.A NH1 SER 101.A OG no hydrogen 2.700 N/A ARG 161.A NH2 CYS 196.A OXT no hydrogen 3.229 N/A VAL 162.A N TYR 100.A O no hydrogen 2.869 N/A HIS 163.A N GLY 185.A O no hydrogen 2.680 N/A HIS 163.A ND1 ASP 97.A OD1 no hydrogen 2.797 N/A VAL 164.A N HIS 98.A O no hydrogen 3.177 N/A SER 165.A N ALA 182.A O no hydrogen 2.864 N/A SER 165.A OG GLU 167.A OE1 no hydrogen 2.747 N/A GLU 167.A N SER 165.A OG no hydrogen 3.423 N/A GLN 169.A N ARG 89.A O no hydrogen 2.871 N/A GLN 169.A NE2 THR 180.A O no hydrogen 3.618 N/A TYR 170.A N THR 180.A O no hydrogen 2.836 N/A TYR 171.A N THR 87.A O no hydrogen 2.689 N/A TYR 173.A OH ARG 107.A O no hydrogen 2.720 N/A ASP 175.A N GLU 31.A OE2 no hydrogen 3.152 N/A TYR 181.A N GLY 129.A O no hydrogen 2.988 N/A TYR 181.A OH GLU 179.A OE2 no hydrogen 3.324 N/A LEU 183.A N CYS 131.A O no hydrogen 3.024 N/A THR 184.A N HIS 163.A O no hydrogen 2.572 N/A GLY 185.A N HIS 163.A O no hydrogen 2.919 N/A SER 187.A N ARG 161.A O no hydrogen 2.941 N/A SER 187.A OG CYS 196.A O no hydrogen 3.266 N/A SER 193.A N ASN 190.A O no hydrogen 2.597 N/A LEU 195.A N SER 193.A OG no hydrogen 3.125 N/A CYS 196.A N SER 193.A O no hydrogen 3.243 N/A CYS 196.A SG ASN 190.A O no hydrogen 3.841 N/A CYS 196.A SG SER 193.A O no hydrogen 3.361 N/A