Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1auq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 12.A N ARG 46.A O no hydrogen 2.815 N/A ARG 14.A NH1 ALA 201.A O no hydrogen 3.063 N/A LEU 15.A N PRO 202.A O no hydrogen 2.968 N/A LEU 16.A N TRP 53.A O no hydrogen 3.202 N/A ASP 17.A N SER 118.A O no hydrogen 2.802 N/A LEU 18.A N ARG 55.A O no hydrogen 2.772 N/A VAL 19.A N ILE 120.A O no hydrogen 2.673 N/A PHE 20.A N ALA 57.A O no hydrogen 2.885 N/A LEU 21.A N LEU 122.A O no hydrogen 2.970 N/A LEU 22.A N VAL 59.A O no hydrogen 2.739 N/A ASP 23.A N LEU 124.A O no hydrogen 3.235 N/A GLY 24.A N TYR 61.A O no hydrogen 2.656 N/A SER 25.A N ASP 23.A OD1 no hydrogen 2.912 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.608 N/A SER 25.A OG SER 127.A OG no hydrogen 3.382 N/A SER 26.A N SER 92.A O no hydrogen 2.689 N/A SER 26.A OG SER 92.A O no hydrogen 3.134 N/A ARG 27.A N SER 25.A OG no hydrogen 3.210 N/A SER 29.A N GLU 32.A OE1 no hydrogen 3.037 N/A SER 29.A OG GLU 32.A OE1 no hydrogen 3.263 N/A GLU 32.A N SER 29.A OG no hydrogen 3.423 N/A PHE 33.A N SER 29.A O no hydrogen 2.778 N/A GLU 34.A N GLU 30.A O no hydrogen 3.070 N/A LEU 36.A N GLU 32.A O no hydrogen 3.019 N/A LYS 37.A N PHE 33.A O no hydrogen 2.838 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 2.976 N/A LYS 37.A NZ GLU 34.A OE2 no hydrogen 2.906 N/A LYS 37.A NZ SER 85.A O no hydrogen 3.015 N/A LYS 37.A NZ VAL 87.A O no hydrogen 2.742 N/A ALA 38.A N GLU 34.A O no hydrogen 2.963 N/A PHE 39.A N VAL 35.A O no hydrogen 2.966 N/A VAL 40.A N LEU 36.A O no hydrogen 3.002 N/A VAL 41.A N LYS 37.A O no hydrogen 2.832 N/A ASP 42.A N ALA 38.A O no hydrogen 2.982 N/A MET 43.A N PHE 39.A O no hydrogen 2.997 N/A MET 44.A N VAL 40.A O no hydrogen 2.996 N/A GLU 45.A N VAL 41.A O no hydrogen 2.952 N/A ARG 46.A N MET 43.A O no hydrogen 2.933 N/A ARG 46.A NH1 ASP 42.A O no hydrogen 2.774 N/A LEU 47.A N MET 44.A O no hydrogen 3.094 N/A ARG 48.A N CYS 12.A O no hydrogen 2.785 N/A ARG 48.A NH1 SER 13.A OG no hydrogen 3.111 N/A SER 50.A N VAL 54.A O no hydrogen 2.743 N/A TRP 53.A N SER 50.A O no hydrogen 2.735 N/A VAL 54.A N ARG 48.A O no hydrogen 2.907 N/A ARG 55.A N LEU 16.A O no hydrogen 2.829 N/A ARG 55.A NE ASP 17.A OD1 no hydrogen 2.847 N/A ARG 55.A NH1 GLN 51.A OE1 no hydrogen 3.151 N/A ARG 55.A NH1 ASP 113.A OD2 no hydrogen 3.277 N/A ARG 55.A NH2 ASP 17.A OD1 no hydrogen 3.427 N/A ARG 55.A NH2 ASP 17.A OD2 no hydrogen 2.649 N/A ARG 55.A NH2 ASP 113.A OD1 no hydrogen 3.424 N/A ARG 55.A NH2 ASP 113.A OD2 no hydrogen 3.380 N/A ALA 57.A N LEU 18.A O no hydrogen 3.021 N/A VAL 58.A N ILE 69.A O no hydrogen 2.997 N/A VAL 59.A N PHE 20.A O no hydrogen 2.887 N/A GLU 60.A N HIS 66.A O no hydrogen 2.977 N/A TYR 61.A N LEU 22.A O no hydrogen 2.842 N/A TYR 61.A OH LEU 124.A O no hydrogen 3.191 N/A HIS 62.A N GLY 64.A O no hydrogen 2.863 N/A HIS 62.A ND1 GLU 60.A OE2 no hydrogen 2.794 N/A HIS 66.A N GLU 60.A O no hydrogen 2.940 N/A TYR 68.A N VAL 58.A O no hydrogen 2.916 N/A ILE 69.A N VAL 58.A O no hydrogen 3.286 N/A GLY 70.A N ASP 73.A OD2 no hydrogen 3.019 N/A ASP 73.A N GLY 70.A O no hydrogen 2.953 N/A LYS 75.A N ASP 73.A O no hydrogen 3.076 N/A SER 78.A N GLU 4.A OE2 no hydrogen 2.597 N/A SER 78.A OG GLU 4.A OE1 no hydrogen 3.242 N/A SER 78.A OG GLU 4.A OE2 no hydrogen 2.783 N/A GLU 79.A N ARG 76.A O no hydrogen 2.997 N/A LEU 80.A N ARG 76.A O no hydrogen 3.103 N/A ARG 81.A N PRO 77.A O no hydrogen 2.927 N/A ARG 82.A N SER 78.A O no hydrogen 3.064 N/A ILE 83.A N GLU 79.A O no hydrogen 2.977 N/A ALA 84.A N LEU 80.A O no hydrogen 3.019 N/A SER 85.A N ARG 81.A O no hydrogen 3.105 N/A SER 85.A OG ARG 82.A O no hydrogen 2.997 N/A GLN 86.A N ARG 82.A O no hydrogen 3.056 N/A GLN 86.A N ILE 83.A O no hydrogen 3.091 N/A VAL 87.A N ALA 84.A O no hydrogen 3.299 N/A LYS 88.A N TYR 68.A OH no hydrogen 3.231 N/A LYS 88.A NZ TYR 89.A O no hydrogen 3.109 N/A TYR 89.A OH LEU 28.A O no hydrogen 2.620 N/A SER 92.A N GLY 24.A O no hydrogen 2.842 N/A SER 96.A N HIS 62.A O no hydrogen 2.738 N/A SER 96.A OG GLU 99.A OE1 no hydrogen 3.245 N/A SER 96.A OG GLU 129.A OE1 no hydrogen 2.604 N/A THR 97.A OG1 GLU 129.A OE2 no hydrogen 3.483 N/A THR 97.A OG1 GLN 164.A OE1 no hydrogen 2.483 N/A SER 98.A N GLU 129.A OE1 no hydrogen 3.272 N/A SER 98.A OG GLU 129.A OE2 no hydrogen 2.799 N/A SER 98.A OG MET 133.A O no hydrogen 3.450 N/A GLU 99.A N SER 96.A OG no hydrogen 2.962 N/A VAL 100.A N SER 96.A O no hydrogen 3.118 N/A LEU 101.A N THR 97.A O no hydrogen 2.842 N/A LYS 102.A N SER 98.A O no hydrogen 2.851 N/A TYR 103.A N GLU 99.A O no hydrogen 3.175 N/A THR 104.A N VAL 100.A O no hydrogen 3.258 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.965 N/A LEU 105.A N LEU 101.A O no hydrogen 3.082 N/A PHE 106.A N LYS 102.A O no hydrogen 2.928 N/A GLN 107.A N TYR 103.A O no hydrogen 2.766 N/A ILE 108.A N TYR 103.A O no hydrogen 2.966 N/A PHE 109.A N THR 104.A O no hydrogen 2.873 N/A SER 110.A OG PHE 106.A O no hydrogen 3.318 N/A ARG 114.A NE ASP 17.A OD1 no hydrogen 3.227 N/A ARG 114.A NH1 TRP 53.A O no hydrogen 3.313 N/A ARG 114.A NH2 ASP 17.A OD1 no hydrogen 3.215 N/A ARG 114.A NH2 TRP 53.A O no hydrogen 2.540 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.725 N/A ALA 117.A N ARG 114.A O no hydrogen 3.142 N/A SER 118.A N LEU 15.A O no hydrogen 3.018 N/A SER 118.A OG LEU 200.A O no hydrogen 3.433 N/A ILE 120.A N ASP 17.A O no hydrogen 2.932 N/A ALA 121.A N ILE 150.A O no hydrogen 2.777 N/A LEU 122.A N VAL 19.A O no hydrogen 2.685 N/A LEU 123.A N ILE 152.A O no hydrogen 3.028 N/A LEU 124.A N LEU 21.A O no hydrogen 2.967 N/A MET 125.A N VAL 154.A O no hydrogen 2.813 N/A ALA 126.A N ASP 23.A OD2 no hydrogen 2.743 N/A SER 127.A OG ASP 23.A OD1 no hydrogen 3.477 N/A SER 127.A OG ASP 23.A OD2 no hydrogen 2.805 N/A SER 127.A OG SER 25.A OG no hydrogen 3.382 N/A MET 133.A N PRO 130.A O no hydrogen 2.743 N/A SER 134.A N GLN 131.A O no hydrogen 3.071 N/A SER 134.A OG GLU 129.A OE2 no hydrogen 2.575 N/A ARG 135.A NE ARG 132.A O no hydrogen 3.066 N/A ARG 135.A NH2 ARG 132.A O no hydrogen 3.122 N/A ASN 136.A ND2 TYR 140.A OH no hydrogen 2.981 N/A PHE 137.A N SER 134.A O no hydrogen 3.187 N/A ARG 139.A NH1 ARG 135.A O no hydrogen 3.362 N/A ARG 139.A NH1 ASN 136.A OD1 no hydrogen 3.564 N/A TYR 140.A N ASN 136.A O no hydrogen 2.973 N/A VAL 141.A N PHE 137.A O no hydrogen 3.116 N/A GLN 142.A N VAL 138.A O no hydrogen 2.723 N/A GLN 142.A NE2 GLN 171.A OE1 no hydrogen 3.611 N/A GLY 143.A N ARG 139.A O no hydrogen 2.812 N/A LEU 144.A N TYR 140.A O no hydrogen 2.972 N/A LYS 145.A N VAL 141.A O no hydrogen 3.073 N/A LYS 146.A N GLN 142.A O no hydrogen 3.103 N/A LYS 146.A N GLY 143.A O no hydrogen 3.213 N/A LYS 147.A N GLY 143.A O no hydrogen 3.321 N/A LYS 147.A NZ LEU 105.A O no hydrogen 2.877 N/A LYS 147.A NZ PHE 109.A O no hydrogen 2.873 N/A LYS 147.A NZ SER 110.A O no hydrogen 3.269 N/A LYS 148.A N LYS 145.A O no hydrogen 3.147 N/A VAL 149.A N LEU 144.A O no hydrogen 2.697 N/A ILE 150.A N ARG 119.A O no hydrogen 2.828 N/A VAL 151.A N ASN 175.A OD1 no hydrogen 3.132 N/A ILE 152.A N ALA 121.A O no hydrogen 2.848 N/A VAL 154.A N LEU 123.A O no hydrogen 2.703 N/A GLY 155.A N PHE 178.A O no hydrogen 2.783 N/A ILE 156.A N MET 125.A O no hydrogen 2.756 N/A GLY 157.A N LEU 180.A O no hydrogen 2.875 N/A ALA 160.A N GLY 157.A O no hydrogen 3.298 N/A ASN 161.A N SER 127.A O no hydrogen 2.835 N/A LEU 162.A N ALA 160.A O no hydrogen 2.708 N/A GLN 164.A N ASN 161.A OD1 no hydrogen 2.994 N/A GLN 164.A NE2 GLU 129.A OE2 no hydrogen 2.809 N/A ILE 165.A N ASN 161.A O no hydrogen 2.986 N/A ARG 166.A N LEU 162.A O no hydrogen 2.857 N/A ARG 166.A NH1 GLU 169.A OE1 no hydrogen 2.691 N/A LEU 167.A N LYS 163.A O no hydrogen 3.040 N/A ILE 168.A N GLN 164.A O no hydrogen 2.892 N/A GLU 169.A N ILE 165.A O no hydrogen 3.125 N/A GLN 171.A N ILE 168.A O no hydrogen 3.155 N/A GLN 171.A NE2 LEU 167.A O no hydrogen 2.826 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.830 N/A ASN 175.A N ALA 172.A O no hydrogen 3.142 N/A ASN 175.A ND2 ILE 168.A O no hydrogen 2.858 N/A LYS 176.A N GLU 174.A O no hydrogen 2.615 N/A ALA 177.A N GLU 169.A OE2 no hydrogen 3.428 N/A PHE 178.A N PRO 153.A O no hydrogen 2.890 N/A LEU 180.A N GLY 155.A O no hydrogen 2.717 N/A SER 181.A N GLU 185.A OE1 no hydrogen 3.075 N/A ASP 184.A N SER 182.A OG no hydrogen 3.230 N/A GLU 185.A N SER 182.A O no hydrogen 3.020 N/A LEU 186.A N VAL 183.A O no hydrogen 3.202 N/A GLN 188.A N GLU 185.A O no hydrogen 3.013 N/A GLN 189.A N LEU 186.A O no hydrogen 3.103 N/A ARG 190.A N LEU 186.A O no hydrogen 2.855 N/A ARG 190.A NH1 ASP 191.A OD1 no hydrogen 2.748 N/A ILE 193.A N GLN 189.A O no hydrogen 3.017 N/A VAL 194.A N ARG 190.A O no hydrogen 2.995 N/A SER 195.A N ASP 191.A O no hydrogen 3.026 N/A SER 195.A OG ASP 191.A O no hydrogen 2.929 N/A TYR 196.A N GLU 192.A O no hydrogen 3.219 N/A TYR 196.A OH GLU 174.A O no hydrogen 2.479 N/A LEU 197.A N ILE 193.A O no hydrogen 3.042 N/A CYS 198.A N VAL 194.A O no hydrogen 2.681 N/A ASP 199.A N SER 195.A O no hydrogen 2.895 N/A LEU 200.A N LEU 197.A O no hydrogen 3.250 N/A ALA 201.A N CYS 198.A O no hydrogen 2.925 N/A