Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xxn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TRP 185.A OXT no hydrogen 3.505 N/A ASP 4.A N GLY 41.A O no hydrogen 2.790 N/A TYR 5.A N GLY 41.A O no hydrogen 2.969 N/A TYR 5.A OH GLN 7.A OE1 no hydrogen 3.414 N/A GLN 7.A N GLY 39.A O no hydrogen 2.760 N/A GLN 7.A NE2 VAL 37.A O no hydrogen 3.530 N/A TRP 9.A N VAL 37.A O no hydrogen 2.919 N/A ASP 11.A N ASN 35.A O no hydrogen 2.861 N/A GLY 12.A N THR 10.A OG1 no hydrogen 2.898 N/A GLY 13.A N ASP 11.A OD1 no hydrogen 2.903 N/A ILE 15.A N SER 31.A O no hydrogen 2.932 N/A ASN 17.A N ASN 29.A O no hydrogen 2.746 N/A VAL 19.A N SER 27.A O no hydrogen 2.842 N/A ASN 25.A N SER 22.A O no hydrogen 2.797 N/A ASN 25.A ND2 THR 183.A OG1 no hydrogen 2.894 N/A TYR 26.A N VAL 182.A O no hydrogen 2.857 N/A TYR 26.A OH MET 169.A O no hydrogen 2.643 N/A TYR 26.A OH THR 171.A OG1 no hydrogen 3.360 N/A SER 27.A N VAL 19.A O no hydrogen 3.219 N/A VAL 28.A N SER 180.A O no hydrogen 2.848 N/A ASN 29.A N ASN 17.A O no hydrogen 2.782 N/A TRP 30.A N GLY 178.A O no hydrogen 2.894 N/A TRP 30.A NE1 SER 176.A OG no hydrogen 2.849 N/A SER 31.A N ILE 15.A O no hydrogen 2.804 N/A ASN 32.A N SER 177.A OG no hydrogen 2.978 N/A THR 33.A N SER 176.A O no hydrogen 2.873 N/A THR 33.A OG1 GLY 34.A O no hydrogen 2.953 N/A THR 33.A OG1 SER 176.A O no hydrogen 3.291 N/A GLY 34.A N GLY 13.A O no hydrogen 3.313 N/A ASN 35.A N ASP 11.A OD2 no hydrogen 2.745 N/A PHE 36.A N GLY 173.A O no hydrogen 3.231 N/A VAL 37.A N TRP 9.A O no hydrogen 2.804 N/A VAL 38.A N THR 171.A O no hydrogen 2.819 N/A GLY 39.A N GLN 7.A O no hydrogen 2.777 N/A LYS 40.A NZ ASN 20.A OD1 no hydrogen 2.701 N/A LYS 40.A NZ GLY 23.A O no hydrogen 2.643 N/A LYS 40.A NZ ASN 25.A O no hydrogen 2.636 N/A GLY 41.A N TYR 5.A O no hydrogen 3.058 N/A TRP 42.A N GLN 167.A O no hydrogen 2.815 N/A THR 43.A N ASP 4.A OD1 no hydrogen 2.642 N/A GLY 45.A N ALA 165.A O no hydrogen 2.701 N/A SER 46.A N GLN 167.A OE1 no hydrogen 3.043 N/A PHE 48.A N SER 46.A OG no hydrogen 2.870 N/A ARG 49.A N SER 46.A O no hydrogen 3.432 N/A ARG 49.A NE GLN 167.A OE1 no hydrogen 2.723 N/A ILE 51.A N ILE 144.A O no hydrogen 2.900 N/A ASN 52.A N TRP 185.A O no hydrogen 2.890 N/A ASN 52.A ND2 TRP 185.A O no hydrogen 3.343 N/A TYR 53.A N ALA 142.A O no hydrogen 2.813 N/A TYR 53.A OH ASP 83.A OD2 no hydrogen 2.582 N/A ASN 54.A N THR 183.A O no hydrogen 2.740 N/A VAL 57.A N ASN 181.A O no hydrogen 2.973 N/A TRP 58.A NE1 TRP 85.A O no hydrogen 3.253 N/A ALA 59.A N SER 179.A O no hydrogen 2.787 N/A ASN 61.A N SER 177.A O no hydrogen 2.555 N/A TYR 65.A N GLU 172.A O no hydrogen 2.633 N/A LEU 66.A N SER 84.A O no hydrogen 2.727 N/A THR 67.A N ALA 170.A O no hydrogen 2.904 N/A THR 67.A OG1 LEU 68.A O no hydrogen 2.683 N/A LEU 68.A N VAL 81.A O no hydrogen 2.739 N/A TYR 69.A N VAL 168.A O no hydrogen 2.723 N/A TYR 69.A OH GLU 78.A OE2 no hydrogen 2.494 N/A GLY 70.A N TYR 79.A O no hydrogen 3.069 N/A TRP 71.A N TYR 166.A O no hydrogen 3.297 N/A TRP 71.A NE1 TYR 69.A OH no hydrogen 2.895 N/A THR 72.A N ILE 77.A O no hydrogen 2.910 N/A THR 72.A OG1 PRO 75.A O no hydrogen 2.945 N/A ARG 73.A N ASN 163.A O no hydrogen 2.772 N/A ARG 73.A NE ASP 119.A OD1 no hydrogen 3.401 N/A ARG 73.A NE ASP 119.A OD2 no hydrogen 2.707 N/A ARG 73.A NH2 ASP 119.A OD1 no hydrogen 2.777 N/A ILE 77.A N THR 72.A O no hydrogen 2.981 N/A GLU 78.A N THR 126.A O no hydrogen 3.126 N/A TYR 79.A N GLY 70.A O no hydrogen 2.780 N/A TYR 80.A N TYR 128.A O no hydrogen 2.757 N/A TYR 80.A OH GLU 172.A OE1 no hydrogen 3.402 N/A TYR 80.A OH GLU 172.A OE2 no hydrogen 2.561 N/A VAL 81.A N LEU 68.A O no hydrogen 2.989 N/A VAL 82.A N SER 130.A O no hydrogen 2.649 N/A ASP 83.A N LEU 66.A O no hydrogen 2.793 N/A SER 84.A N LEU 66.A O no hydrogen 3.223 N/A SER 84.A OG TRP 85.A O no hydrogen 3.545 N/A THR 87.A N GLY 62.A O no hydrogen 2.992 N/A ARG 89.A NE ARG 132.A O no hydrogen 2.933 N/A ARG 89.A NH1 TYR 108.A OH no hydrogen 3.006 N/A ARG 89.A NH2 ASP 106.A OD2 no hydrogen 2.533 N/A ARG 89.A NH2 VAL 131.A O no hydrogen 2.973 N/A ARG 89.A NH2 ARG 132.A O no hydrogen 3.061 N/A THR 93.A N THR 109.A O no hydrogen 2.831 N/A THR 93.A OG1 THR 109.A O no hydrogen 3.515 N/A LYS 95.A N ILE 107.A O no hydrogen 2.679 N/A VAL 98.A N TYR 105.A O no hydrogen 2.823 N/A LYS 99.A NZ THR 104.A OG1 no hydrogen 2.609 N/A SER 100.A N GLY 103.A O no hydrogen 2.903 N/A SER 100.A OG ASP 101.A OD2 no hydrogen 2.676 N/A SER 100.A OG THR 145.A O no hydrogen 3.501 N/A SER 100.A OG ASN 148.A OD1 no hydrogen 2.862 N/A GLY 103.A N SER 100.A O no hydrogen 2.957 N/A TYR 105.A N VAL 98.A O no hydrogen 2.910 N/A TYR 105.A OH ASP 83.A OD1 no hydrogen 2.546 N/A ASP 106.A N VAL 131.A O no hydrogen 2.836 N/A ILE 107.A N GLY 96.A O no hydrogen 2.695 N/A TYR 108.A N TRP 129.A O no hydrogen 2.782 N/A THR 109.A N THR 93.A O no hydrogen 3.099 N/A THR 110.A N GLN 127.A O no hydrogen 3.073 N/A THR 110.A OG1 GLN 127.A OE1 no hydrogen 2.248 N/A ARG 112.A N PHE 125.A O no hydrogen 2.781 N/A ALA 115.A N THR 123.A O no hydrogen 2.949 N/A SER 117.A N ASP 121.A O no hydrogen 2.863 N/A ASP 119.A N SER 117.A OG no hydrogen 3.048 N/A GLY 120.A N SER 117.A O no hydrogen 3.080 N/A ARG 122.A NE ASN 114.A O no hydrogen 3.422 N/A ARG 122.A NH2 ASN 114.A O no hydrogen 2.764 N/A THR 123.A N ALA 115.A O no hydrogen 2.734 N/A THR 124.A N THR 123.A OG1 no hydrogen 2.588 N/A PHE 125.A N ARG 112.A O no hydrogen 2.997 N/A GLN 127.A N THR 110.A O no hydrogen 2.803 N/A GLN 127.A NE2 GLU 78.A OE1 no hydrogen 2.627 N/A TYR 128.A N GLU 78.A O no hydrogen 2.989 N/A TYR 128.A OH ASN 159.A O no hydrogen 2.682 N/A TRP 129.A N TYR 108.A O no hydrogen 2.797 N/A TRP 129.A NE1 THR 110.A OG1 no hydrogen 2.960 N/A SER 130.A N TYR 80.A O no hydrogen 2.908 N/A SER 130.A OG HIS 149.A ND1 no hydrogen 2.762 N/A VAL 131.A N ASP 106.A O no hydrogen 2.790 N/A ARG 132.A N VAL 82.A O no hydrogen 2.866 N/A ARG 132.A NH1 SER 134.A O no hydrogen 2.876 N/A GLN 133.A N THR 104.A O no hydrogen 2.760 N/A LYS 135.A NZ TRP 85.A O no hydrogen 2.730 N/A LYS 135.A NZ GLY 86.A O no hydrogen 2.841 N/A ARG 136.A N ASP 83.A O no hydrogen 2.736 N/A ARG 136.A NH1 ASP 83.A OD2 no hydrogen 2.705 N/A ARG 136.A NH1 THR 143.A O no hydrogen 2.804 N/A ARG 136.A NH2 THR 143.A O no hydrogen 2.923 N/A ALA 142.A N TYR 53.A O no hydrogen 2.723 N/A THR 143.A OG1 ASP 101.A OD1 no hydrogen 3.510 N/A ILE 144.A N ILE 51.A O no hydrogen 2.758 N/A THR 145.A N ASP 101.A OD2 no hydrogen 2.708 N/A THR 145.A OG1 ASP 101.A OD1 no hydrogen 2.499 N/A THR 145.A OG1 ASP 101.A OD2 no hydrogen 3.459 N/A ASN 148.A N THR 145.A O no hydrogen 2.848 N/A HIS 149.A ND1 SER 130.A OG no hydrogen 2.762 N/A VAL 150.A N PHE 146.A O no hydrogen 2.844 N/A ASN 151.A N SER 147.A O no hydrogen 2.838 N/A ALA 152.A N ASN 148.A O no hydrogen 2.935 N/A TRP 153.A N HIS 149.A O no hydrogen 2.753 N/A TRP 153.A NE1 SER 130.A OG no hydrogen 2.799 N/A LYS 154.A N VAL 150.A O no hydrogen 2.847 N/A SER 155.A N ASN 151.A O no hydrogen 3.028 N/A SER 155.A OG ALA 152.A O no hydrogen 2.657 N/A HIS 156.A N TRP 153.A O no hydrogen 2.810 N/A GLY 157.A N LYS 154.A O no hydrogen 2.919 N/A MET 158.A N TRP 153.A O no hydrogen 2.878 N/A GLY 161.A N THR 72.A OG1 no hydrogen 2.820 N/A SER 162.A N SER 74.A O no hydrogen 3.171 N/A SER 162.A OG SER 74.A O no hydrogen 3.563 N/A ASN 163.A N ARG 73.A O no hydrogen 3.138 N/A ALA 165.A N TRP 71.A O no hydrogen 2.940 N/A GLN 167.A N TRP 42.A O no hydrogen 2.926 N/A GLN 167.A NE2 SER 46.A O no hydrogen 3.124 N/A GLN 167.A NE2 TYR 79.A OH no hydrogen 2.887 N/A VAL 168.A N TYR 69.A O no hydrogen 2.763 N/A MET 169.A N LYS 40.A O no hydrogen 2.819 N/A ALA 170.A N THR 67.A O no hydrogen 2.678 N/A THR 171.A N VAL 38.A O no hydrogen 2.765 N/A THR 171.A OG1 TYR 26.A OH no hydrogen 3.360 N/A THR 171.A OG1 SER 180.A OG no hydrogen 2.717 N/A GLU 172.A N TYR 65.A O no hydrogen 2.912 N/A GLY 173.A N PHE 36.A O no hydrogen 3.028 N/A TYR 174.A N ASN 63.A O no hydrogen 2.975 N/A TYR 174.A OH GLU 172.A OE1 no hydrogen 3.060 N/A GLN 175.A N GLY 34.A O no hydrogen 2.887 N/A SER 176.A N THR 33.A OG1 no hydrogen 3.247 N/A SER 176.A OG ASN 63.A O no hydrogen 2.759 N/A SER 177.A N ASN 61.A O no hydrogen 3.261 N/A GLY 178.A N TRP 30.A O no hydrogen 2.967 N/A SER 179.A N ALA 59.A O no hydrogen 2.890 N/A SER 179.A OG ASN 29.A OD1 no hydrogen 2.794 N/A SER 180.A N VAL 28.A O no hydrogen 2.894 N/A SER 180.A OG THR 171.A OG1 no hydrogen 2.717 N/A ASN 181.A N VAL 57.A O no hydrogen 2.781 N/A VAL 182.A N TYR 26.A O no hydrogen 2.778 N/A THR 183.A N ASN 54.A O no hydrogen 2.725 N/A VAL 184.A N GLY 24.A O no hydrogen 2.849 N/A TRP 185.A N ASN 52.A O no hydrogen 2.834 N/A