Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pey_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ARG 1.A O no hydrogen 2.574 N/A CYS 3.A N LEU 75.A O no hydrogen 3.137 N/A THR 4.A N PRO 102.A O no hydrogen 3.032 N/A THR 4.A OG1 HIS 96.A NE2 no hydrogen 2.548 N/A VAL 5.A N CYS 77.A O no hydrogen 2.788 N/A TRP 6.A N PHE 104.A O no hydrogen 2.845 N/A TRP 6.A NE1 SER 83.A OG no hydrogen 3.171 N/A LEU 7.A N THR 79.A O no hydrogen 3.060 N/A THR 8.A N VAL 106.A O no hydrogen 3.234 N/A THR 8.A OG1 ILE 82.A O no hydrogen 2.861 N/A THR 8.A OG1 SER 83.A O no hydrogen 3.154 N/A THR 8.A OG1 SER 83.A OG no hydrogen 3.384 N/A THR 8.A OG1 TYR 142.A OH no hydrogen 2.688 N/A GLY 9.A N ILE 82.A O no hydrogen 3.277 N/A ALA 13.A N LEU 10.A O no hydrogen 3.145 N/A LYS 15.A NZ GLY 9.A O no hydrogen 2.779 N/A VAL 18.A N GLY 14.A O no hydrogen 2.863 N/A SER 19.A N LYS 15.A O no hydrogen 2.830 N/A SER 19.A OG LYS 15.A O no hydrogen 3.156 N/A SER 19.A OG THR 16.A O no hydrogen 2.872 N/A MET 20.A N THR 16.A O no hydrogen 3.043 N/A ALA 21.A N THR 17.A O no hydrogen 3.183 N/A LEU 22.A N VAL 18.A O no hydrogen 2.687 N/A GLU 23.A N SER 19.A O no hydrogen 2.752 N/A GLU 24.A N MET 20.A O no hydrogen 2.949 N/A TYR 25.A N ALA 21.A O no hydrogen 3.119 N/A LEU 26.A N LEU 22.A O no hydrogen 3.056 N/A VAL 27.A N GLU 23.A O no hydrogen 3.087 N/A CYS 28.A N GLU 24.A O no hydrogen 3.095 N/A CYS 28.A SG GLU 24.A O no hydrogen 3.099 N/A HIS 29.A N TYR 25.A O no hydrogen 3.178 N/A HIS 29.A N LEU 26.A O no hydrogen 3.134 N/A HIS 29.A ND1 TYR 25.A O no hydrogen 2.727 N/A GLY 30.A N VAL 27.A O no hydrogen 2.847 N/A ILE 31.A N LEU 26.A O no hydrogen 2.877 N/A CYS 33.A SG GLU 23.A O no hydrogen 3.853 N/A CYS 33.A SG ILE 31.A O no hydrogen 3.754 N/A TYR 34.A N VAL 76.A O no hydrogen 3.087 N/A THR 35.A OG1 GLU 23.A OE2 no hydrogen 2.626 N/A LEU 36.A N ILE 78.A O no hydrogen 2.761 N/A ASP 37.A N ASN 40.A OD1 no hydrogen 2.882 N/A ASN 40.A N ASP 37.A OD1 no hydrogen 3.151 N/A ASN 40.A ND2 TYR 34.A OH no hydrogen 3.037 N/A ASN 40.A ND2 THR 35.A O no hydrogen 2.921 N/A ILE 41.A N ASP 37.A O no hydrogen 2.911 N/A ARG 42.A N GLY 38.A O no hydrogen 2.951 N/A ARG 42.A NH1 GLY 50.A O no hydrogen 2.781 N/A ARG 42.A NH2 GLY 50.A O no hydrogen 2.884 N/A GLY 44.A N ILE 41.A O no hydrogen 3.085 N/A ASN 46.A N ILE 41.A O no hydrogen 2.850 N/A ASN 46.A ND2 ASN 59.A O no hydrogen 3.313 N/A ASN 46.A ND2 ASN 59.A OD1 no hydrogen 2.614 N/A LYS 47.A N GLY 44.A O no hydrogen 3.176 N/A LEU 49.A N ASN 46.A O no hydrogen 3.311 N/A GLY 50.A N ASP 55.A OD2 no hydrogen 2.773 N/A ASP 55.A N SER 52.A OG no hydrogen 3.389 N/A ARG 56.A N SER 52.A O no hydrogen 2.845 N/A ARG 56.A NE PHE 51.A O no hydrogen 3.011 N/A GLU 57.A N PRO 53.A O no hydrogen 2.883 N/A GLU 58.A N GLU 54.A O no hydrogen 3.057 N/A ASN 59.A N ASP 55.A O no hydrogen 2.786 N/A VAL 60.A N ARG 56.A O no hydrogen 3.140 N/A ARG 61.A N GLU 57.A O no hydrogen 3.143 N/A ARG 61.A NE GLU 58.A OE1 no hydrogen 2.942 N/A ARG 61.A NH2 GLU 58.A OE2 no hydrogen 3.022 N/A ARG 62.A N GLU 58.A O no hydrogen 3.017 N/A ARG 62.A NE GLU 58.A OE2 no hydrogen 2.761 N/A ARG 62.A NH1 LEU 45.A O no hydrogen 3.044 N/A ARG 62.A NH1 ASN 46.A OD1 no hydrogen 3.332 N/A ARG 62.A NH1 ASN 48.A OD1 no hydrogen 2.959 N/A ARG 62.A NH2 GLU 58.A OE2 no hydrogen 3.543 N/A ILE 63.A N ASN 59.A O no hydrogen 3.068 N/A ALA 64.A N VAL 60.A O no hydrogen 2.758 N/A GLU 65.A N ARG 61.A O no hydrogen 2.995 N/A VAL 66.A N ARG 62.A O no hydrogen 2.901 N/A ALA 67.A N ILE 63.A O no hydrogen 2.808 N/A LYS 68.A N ALA 64.A O no hydrogen 3.012 N/A LYS 68.A NZ ILE 95.A O no hydrogen 3.510 N/A LEU 69.A N GLU 65.A O no hydrogen 3.226 N/A PHE 70.A N VAL 66.A O no hydrogen 3.131 N/A ALA 71.A N ALA 67.A O no hydrogen 2.836 N/A ASP 72.A N LYS 68.A O no hydrogen 2.814 N/A ALA 73.A N LEU 69.A O no hydrogen 2.930 N/A ALA 73.A N PHE 70.A O no hydrogen 3.135 N/A GLY 74.A N ALA 71.A O no hydrogen 2.983 N/A LEU 75.A N PHE 70.A O no hydrogen 3.040 N/A VAL 76.A N PRO 32.A O no hydrogen 3.041 N/A CYS 77.A N CYS 3.A O no hydrogen 2.881 N/A CYS 77.A SG TYR 34.A O no hydrogen 3.959 N/A ILE 78.A N TYR 34.A O no hydrogen 3.058 N/A THR 79.A N VAL 5.A O no hydrogen 2.973 N/A SER 80.A N LEU 36.A O no hydrogen 2.855 N/A SER 83.A OG LEU 7.A O no hydrogen 3.394 N/A SER 83.A OG PHE 81.A O no hydrogen 2.860 N/A THR 86.A N GLU 143.A OE1 no hydrogen 2.671 N/A THR 86.A OG1 GLU 143.A OE1 no hydrogen 3.243 N/A ASP 88.A N TYR 85.A O no hydrogen 3.119 N/A ARG 89.A N TYR 85.A O no hydrogen 3.142 N/A ARG 89.A NE GLU 105.A OE2 no hydrogen 2.873 N/A ARG 89.A NH1 SER 83.A O no hydrogen 2.771 N/A ARG 89.A NH1 GLU 143.A O no hydrogen 3.002 N/A ARG 89.A NH2 GLU 143.A O no hydrogen 2.875 N/A ASN 90.A N THR 86.A O no hydrogen 2.776 N/A ASN 91.A N GLN 87.A O no hydrogen 2.859 N/A ALA 92.A N ASP 88.A O no hydrogen 2.911 N/A ARG 93.A N ARG 89.A O no hydrogen 3.024 N/A ARG 93.A NH1 GLU 149.A OE1 no hydrogen 3.569 N/A ARG 93.A NH1 GLU 149.A OE2 no hydrogen 3.042 N/A ARG 93.A NH2 GLU 105.A OE1 no hydrogen 3.189 N/A ARG 93.A NH2 GLU 149.A OE1 no hydrogen 2.734 N/A ARG 93.A NH2 GLU 149.A OE2 no hydrogen 3.414 N/A GLN 94.A N ASN 90.A O no hydrogen 3.006 N/A ILE 95.A N ASN 91.A O no hydrogen 3.048 N/A HIS 96.A ND1 ALA 92.A O no hydrogen 2.873 N/A HIS 96.A NE2 THR 4.A OG1 no hydrogen 2.548 N/A GLU 97.A N ARG 93.A O no hydrogen 2.885 N/A GLY 98.A N GLN 94.A O no hydrogen 2.754 N/A ALA 99.A N ILE 95.A O no hydrogen 3.331 N/A SER 100.A N GLU 97.A O no hydrogen 3.007 N/A LEU 101.A N HIS 96.A O no hydrogen 2.693 N/A PHE 104.A N THR 4.A O no hydrogen 2.908 N/A GLU 105.A N GLU 149.A OE1 no hydrogen 2.947 N/A VAL 106.A N TRP 6.A O no hydrogen 2.905 N/A PHE 107.A N LEU 150.A O no hydrogen 2.933 N/A VAL 108.A N THR 8.A O no hydrogen 2.897 N/A ASP 109.A N LEU 152.A O no hydrogen 2.755 N/A CYS 115.A N PRO 111.A O no hydrogen 3.146 N/A CYS 115.A SG ALA 110.A O no hydrogen 3.718 N/A CYS 115.A SG PRO 111.A O no hydrogen 3.609 N/A GLU 116.A N LEU 112.A O no hydrogen 2.992 N/A GLN 117.A N HIS 113.A O no hydrogen 3.026 N/A ARG 118.A N VAL 114.A O no hydrogen 2.902 N/A ARG 118.A NH1 GLY 12.A O no hydrogen 2.995 N/A ARG 118.A NH1 ALA 13.A O no hydrogen 2.975 N/A ARG 118.A NH2 THR 154.A O no hydrogen 2.970 N/A ASP 119.A N CYS 115.A O no hydrogen 2.881 N/A GLY 122.A N ASP 119.A O no hydrogen 3.353 N/A TYR 124.A N ASP 119.A OD1 no hydrogen 3.019 N/A TYR 124.A OH SER 11.A O no hydrogen 2.498 N/A LYS 125.A N ASP 119.A OD2 no hydrogen 3.153 N/A LYS 126.A N GLY 122.A O no hydrogen 3.482 N/A ALA 127.A N LEU 123.A O no hydrogen 2.839 N/A ARG 128.A N TYR 124.A O no hydrogen 2.798 N/A ARG 128.A NE GLU 116.A OE1 no hydrogen 3.089 N/A ARG 128.A NH2 GLU 116.A OE1 no hydrogen 3.265 N/A ARG 128.A NH2 GLU 116.A OE2 no hydrogen 2.801 N/A ALA 129.A N LYS 125.A O no hydrogen 2.971 N/A GLY 130.A N ALA 127.A O no hydrogen 3.174 N/A GLU 131.A N LYS 126.A O no hydrogen 2.885 N/A ILE 132.A N LYS 126.A O no hydrogen 3.349 N/A LYS 133.A NZ ASP 139.A OD2 no hydrogen 3.563 N/A GLY 134.A N ASP 139.A OD2 no hydrogen 2.649 N/A GLY 137.A N SER 140.A O no hydrogen 2.791 N/A ILE 138.A N PHE 135.A O no hydrogen 3.134 N/A ASP 139.A N PHE 135.A O no hydrogen 2.776 N/A SER 140.A N PHE 135.A O no hydrogen 3.191 N/A SER 140.A OG GLY 134.A O no hydrogen 3.069 N/A TYR 142.A OH THR 8.A OG1 no hydrogen 2.688 N/A GLU 143.A N PRO 84.A O no hydrogen 2.808 N/A LEU 152.A N PHE 107.A O no hydrogen 2.807 N/A LYS 153.A NZ ASP 109.A OD2 no hydrogen 3.207 N/A THR 154.A OG1 ALA 13.A O no hydrogen 2.618 N/A SER 156.A N LYS 153.A O no hydrogen 3.029 N/A SER 156.A OG LYS 153.A O no hydrogen 3.479 N/A CYS 157.A N LYS 153.A O no hydrogen 2.846 N/A ASP 161.A N ASP 158.A OD1 no hydrogen 3.000 N/A CYS 162.A N ASP 158.A O no hydrogen 3.070 N/A CYS 162.A SG CYS 157.A O no hydrogen 4.031 N/A CYS 162.A SG ASP 158.A O no hydrogen 3.573 N/A VAL 163.A N VAL 159.A O no hydrogen 2.900 N/A GLN 164.A N ASN 160.A O no hydrogen 3.062 N/A GLN 165.A N ASP 161.A O no hydrogen 3.125 N/A GLN 165.A NE2 ASP 161.A O no hydrogen 3.264 N/A VAL 166.A N CYS 162.A O no hydrogen 3.206 N/A VAL 167.A N VAL 163.A O no hydrogen 2.911 N/A GLU 168.A N GLN 164.A O no hydrogen 2.803 N/A LEU 169.A N GLN 165.A O no hydrogen 3.130 N/A LEU 170.A N VAL 166.A O no hydrogen 2.931 N/A GLN 171.A N VAL 167.A O no hydrogen 2.819 N/A GLU 172.A N GLU 168.A O no hydrogen 2.932 N/A ARG 173.A N LEU 169.A O no hydrogen 3.030 N/A ASP 174.A N GLN 171.A O no hydrogen 2.979 N/A ILE 175.A N LEU 170.A O no hydrogen 2.847 N/A VAL 176.A N LEU 170.A O no hydrogen 3.348 N/A