Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ier_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 2.A OG no hydrogen 3.214 N/A ARG 5.A NH1 TYR 8.A O no hydrogen 2.606 N/A ARG 5.A NH1 GLU 13.A OE1 no hydrogen 3.265 N/A ARG 5.A NH2 GLU 13.A OE1 no hydrogen 2.704 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.589 N/A VAL 12.A N SER 9.A OG no hydrogen 3.421 N/A GLU 13.A N SER 9.A O no hydrogen 3.058 N/A ALA 14.A N THR 10.A O no hydrogen 2.950 N/A ALA 15.A N GLU 11.A O no hydrogen 2.903 N/A VAL 16.A N VAL 12.A O no hydrogen 2.767 N/A ASN 17.A N GLU 13.A O no hydrogen 3.134 N/A ARG 18.A N ALA 14.A O no hydrogen 3.071 N/A LEU 19.A N ALA 15.A O no hydrogen 2.933 N/A VAL 20.A N VAL 16.A O no hydrogen 2.960 N/A ASN 21.A N ASN 17.A O no hydrogen 3.193 N/A LEU 22.A N ARG 18.A O no hydrogen 3.022 N/A TYR 23.A N LEU 19.A O no hydrogen 2.975 N/A LEU 24.A N VAL 20.A O no hydrogen 2.992 N/A ARG 25.A N ASN 21.A O no hydrogen 2.905 N/A ARG 25.A NE GLN 82.A O no hydrogen 3.368 N/A ARG 25.A NH2 LYS 83.A O no hydrogen 2.735 N/A ALA 26.A N LEU 22.A O no hydrogen 2.824 N/A SER 27.A N TYR 23.A O no hydrogen 2.744 N/A SER 27.A OG ALA 55.A O no hydrogen 2.851 N/A TYR 28.A N LEU 24.A O no hydrogen 2.966 N/A THR 29.A N ARG 25.A O no hydrogen 3.027 N/A THR 29.A OG1 ARG 25.A O no hydrogen 3.181 N/A TYR 30.A N ALA 26.A O no hydrogen 3.056 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.588 N/A LEU 31.A N SER 27.A O no hydrogen 2.949 N/A SER 32.A N TYR 28.A O no hydrogen 3.152 N/A LEU 33.A N THR 29.A O no hydrogen 2.850 N/A GLY 34.A N TYR 30.A O no hydrogen 2.849 N/A PHE 35.A N LEU 31.A O no hydrogen 2.970 N/A TYR 36.A N SER 32.A O no hydrogen 3.115 N/A TYR 36.A OH GLY 90.A O no hydrogen 2.691 N/A PHE 37.A N GLY 34.A O no hydrogen 3.228 N/A ASP 38.A N PHE 35.A O no hydrogen 3.233 N/A ARG 39.A N TYR 36.A O no hydrogen 3.175 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.860 N/A ARG 39.A NH1 GLU 88.A OE2 no hydrogen 3.302 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 3.341 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 2.812 N/A VAL 42.A N ARG 39.A O no hydrogen 2.860 N/A ALA 43.A N ARG 39.A O no hydrogen 2.651 N/A LEU 44.A N PHE 37.A O no hydrogen 2.922 N/A GLY 46.A N GLU 167.A OE2 no hydrogen 2.658 N/A CYS 48.A N LEU 44.A O no hydrogen 2.981 N/A CYS 48.A SG GLY 34.A O no hydrogen 3.346 N/A HIS 49.A N GLU 45.A O no hydrogen 2.953 N/A PHE 50.A N GLY 46.A O no hydrogen 2.949 N/A PHE 51.A N VAL 47.A O no hydrogen 3.065 N/A ARG 52.A N CYS 48.A O no hydrogen 2.932 N/A GLU 53.A N HIS 49.A O no hydrogen 2.986 N/A LEU 54.A N PHE 50.A O no hydrogen 3.334 N/A ALA 55.A N PHE 51.A O no hydrogen 2.961 N/A GLU 56.A N ARG 52.A O no hydrogen 3.291 N/A GLU 57.A N GLU 53.A O no hydrogen 2.985 N/A LYS 58.A N LEU 54.A O no hydrogen 2.872 N/A LYS 58.A NZ GLU 103.A OE1 no hydrogen 2.797 N/A LYS 58.A NZ GLU 103.A OE2 no hydrogen 3.311 N/A ARG 59.A N ALA 55.A O no hydrogen 3.018 N/A ARG 59.A NH1 GLU 63.A OE2 no hydrogen 3.550 N/A ARG 59.A NH2 GLU 60.A OE2 no hydrogen 3.127 N/A GLU 60.A N GLU 56.A O no hydrogen 2.801 N/A GLY 61.A N GLU 57.A O no hydrogen 2.857 N/A ALA 62.A N LYS 58.A O no hydrogen 3.142 N/A GLU 63.A N ARG 59.A O no hydrogen 3.135 N/A ARG 64.A N GLU 60.A O no hydrogen 3.131 N/A LEU 65.A N GLY 61.A O no hydrogen 3.174 N/A LEU 66.A N ALA 62.A O no hydrogen 2.848 N/A LYS 67.A N GLU 63.A O no hydrogen 2.868 N/A MET 68.A N ARG 64.A O no hydrogen 3.039 N/A GLN 69.A N LEU 65.A O no hydrogen 2.882 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 2.999 N/A ASN 70.A N LEU 66.A O no hydrogen 3.218 N/A GLN 71.A N LYS 67.A O no hydrogen 3.000 N/A ARG 72.A N MET 68.A O no hydrogen 3.026 N/A ARG 72.A N GLN 69.A O no hydrogen 3.232 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 2.997 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 3.497 N/A ARG 72.A NH2 ASP 122.A OD1 no hydrogen 2.965 N/A GLY 73.A N ASN 70.A O no hydrogen 3.232 N/A GLY 74.A N GLN 69.A O no hydrogen 2.886 N/A ARG 75.A N GLU 13.A OE2 no hydrogen 2.714 N/A ARG 75.A NH1 GLY 74.A O no hydrogen 2.967 N/A GLN 86.A NE2 GLU 88.A O no hydrogen 2.987 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 3.036 N/A THR 91.A N ASP 94.A OD2 no hydrogen 3.039 N/A THR 92.A N GLU 163.A OE2 no hydrogen 2.889 N/A THR 92.A OG1 GLU 163.A OE2 no hydrogen 2.655 N/A ALA 95.A N THR 91.A O no hydrogen 2.780 N/A MET 96.A N THR 92.A O no hydrogen 2.792 N/A LYS 97.A N LEU 93.A O no hydrogen 2.939 N/A ALA 98.A N ASP 94.A O no hydrogen 3.042 N/A ALA 99.A N ALA 95.A O no hydrogen 2.869 N/A ILE 100.A N MET 96.A O no hydrogen 2.940 N/A VAL 101.A N LYS 97.A O no hydrogen 3.211 N/A LEU 102.A N ALA 98.A O no hydrogen 3.093 N/A GLU 103.A N ALA 99.A O no hydrogen 2.820 N/A LYS 104.A N ILE 100.A O no hydrogen 2.877 N/A SER 105.A N VAL 101.A O no hydrogen 2.960 N/A SER 105.A OG VAL 101.A O no hydrogen 3.113 N/A LEU 106.A N LEU 102.A O no hydrogen 3.150 N/A ASN 107.A N GLU 103.A O no hydrogen 2.976 N/A GLN 108.A N LYS 104.A O no hydrogen 2.852 N/A ALA 109.A N SER 105.A O no hydrogen 3.079 N/A LEU 110.A N LEU 106.A O no hydrogen 2.993 N/A LEU 111.A N ASN 107.A O no hydrogen 3.045 N/A ASP 112.A N GLN 108.A O no hydrogen 2.795 N/A LEU 113.A N ALA 109.A O no hydrogen 2.858 N/A HIS 114.A N LEU 110.A O no hydrogen 2.864 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.791 N/A ALA 115.A N LEU 111.A O no hydrogen 2.963 N/A LEU 116.A N ASP 112.A O no hydrogen 3.104 N/A GLY 117.A N LEU 113.A O no hydrogen 2.846 N/A SER 118.A N HIS 114.A O no hydrogen 2.845 N/A SER 118.A OG HIS 114.A O no hydrogen 2.986 N/A ALA 119.A N ALA 115.A O no hydrogen 2.755 N/A GLN 120.A N LEU 116.A O no hydrogen 2.680 N/A ALA 121.A N SER 118.A O no hydrogen 3.109 N/A ASP 122.A N GLY 117.A O no hydrogen 2.639 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 3.212 N/A CYS 126.A N ASP 122.A O no hydrogen 3.313 N/A CYS 126.A SG HIS 114.A O no hydrogen 3.917 N/A CYS 126.A SG ASP 122.A O no hydrogen 3.601 N/A ASP 127.A N PRO 123.A O no hydrogen 2.841 N/A PHE 128.A N HIS 124.A O no hydrogen 2.855 N/A LEU 129.A N LEU 125.A O no hydrogen 2.871 N/A GLU 130.A N CYS 126.A O no hydrogen 3.070 N/A SER 131.A N ASP 127.A O no hydrogen 3.041 N/A SER 131.A OG ASP 127.A O no hydrogen 3.102 N/A HIS 132.A N PHE 128.A O no hydrogen 3.206 N/A PHE 133.A N LEU 129.A O no hydrogen 3.036 N/A LEU 134.A N LEU 129.A O no hydrogen 2.976 N/A GLU 137.A N PHE 133.A O no hydrogen 2.943 N/A VAL 138.A N LEU 134.A O no hydrogen 3.222 N/A LYS 139.A N ASP 135.A O no hydrogen 2.831 N/A LEU 140.A N GLU 136.A O no hydrogen 2.961 N/A ILE 141.A N GLU 137.A O no hydrogen 2.942 N/A LYS 142.A N VAL 138.A O no hydrogen 3.037 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.869 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.065 N/A LYS 143.A N LYS 139.A O no hydrogen 2.974 N/A LYS 143.A NZ HIS 147.A NE2 no hydrogen 2.815 N/A MET 144.A N LEU 140.A O no hydrogen 2.907 N/A GLY 145.A N ILE 141.A O no hydrogen 2.886 N/A ASP 146.A N LYS 142.A O no hydrogen 2.892 N/A HIS 147.A N LYS 143.A O no hydrogen 2.922 N/A LEU 148.A N MET 144.A O no hydrogen 2.871 N/A THR 149.A N GLY 145.A O no hydrogen 2.976 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.424 N/A ASN 150.A N ASP 146.A O no hydrogen 3.111 N/A ILE 151.A N HIS 147.A O no hydrogen 2.890 N/A GLN 152.A N LEU 148.A O no hydrogen 2.989 N/A ARG 153.A N THR 149.A O no hydrogen 3.120 N/A LEU 154.A N ASN 150.A O no hydrogen 3.147 N/A VAL 155.A N ILE 151.A O no hydrogen 2.776 N/A GLY 156.A N GLN 152.A O no hydrogen 2.753 N/A SER 157.A OG ARG 153.A O no hydrogen 3.279 N/A GLN 158.A N LEU 154.A O no hydrogen 3.184 N/A GLY 162.A N GLN 158.A O no hydrogen 2.690 N/A GLU 163.A N ALA 159.A O no hydrogen 3.042 N/A TYR 164.A N GLY 160.A O no hydrogen 3.317 N/A LEU 165.A N LEU 161.A O no hydrogen 2.944 N/A PHE 166.A N GLY 162.A O no hydrogen 3.020 N/A GLU 167.A N GLU 163.A O no hydrogen 3.148 N/A ARG 168.A N TYR 164.A O no hydrogen 2.785 N/A ARG 168.A NH1 GLU 167.A OE1 no hydrogen 2.933 N/A ARG 168.A NH1 GLU 167.A OE2 no hydrogen 2.852 N/A LEU 169.A N LEU 165.A O no hydrogen 2.548 N/A THR 170.A N PHE 166.A O no hydrogen 2.847 N/A LEU 171.A N PHE 166.A O no hydrogen 3.115 N/A LYS 172.A N GLU 167.A O no hydrogen 2.569 N/A HIS 173.A ND1 LYS 172.A O no hydrogen 2.530 N/A