Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 28.A O no hydrogen 3.219 N/A ARG 2.A N GLU 28.A OE1 no hydrogen 3.086 N/A ARG 2.A NE GLU 28.A OE1 no hydrogen 2.980 N/A ARG 2.A NH2 GLU 28.A OE2 no hydrogen 2.863 N/A LEU 3.A N GLU 28.A O no hydrogen 2.967 N/A GLY 5.A N GLY 29.A O no hydrogen 3.148 N/A LYS 6.A N LEU 3.A O no hydrogen 2.957 N/A SER 7.A N ASP 81.A OD2 no hydrogen 2.840 N/A SER 7.A OG GLY 79.A O no hydrogen 2.546 N/A ALA 8.A N THR 31.A O no hydrogen 2.742 N/A LEU 9.A N ILE 82.A O no hydrogen 2.785 N/A ILE 10.A N ALA 33.A O no hydrogen 3.265 N/A THR 11.A N VAL 84.A O no hydrogen 2.968 N/A THR 11.A OG1 VAL 84.A O no hydrogen 3.512 N/A SER 13.A N ALA 35.A O no hydrogen 2.972 N/A SER 13.A OG ILE 10.A O no hydrogen 2.722 N/A SER 13.A OG ALA 35.A O no hydrogen 3.260 N/A ALA 14.A N ASP 36.A OD2 no hydrogen 3.074 N/A ARG 19.A N ARG 15.A O no hydrogen 3.445 N/A ARG 19.A NE GLU 23.A OE2 no hydrogen 2.840 N/A ARG 19.A NH1 GLU 48.A OE1 no hydrogen 3.554 N/A ARG 19.A NH2 GLU 48.A OE1 no hydrogen 2.755 N/A ALA 20.A N GLY 16.A O no hydrogen 3.078 N/A PHE 21.A N ILE 17.A O no hydrogen 2.864 N/A ALA 22.A N GLY 18.A O no hydrogen 2.838 N/A GLU 23.A N ARG 19.A O no hydrogen 2.928 N/A ALA 24.A N ALA 20.A O no hydrogen 2.921 N/A TYR 25.A N PHE 21.A O no hydrogen 2.849 N/A TYR 25.A OH ALA 231.A O no hydrogen 2.659 N/A VAL 26.A N ALA 22.A O no hydrogen 2.984 N/A ARG 27.A N GLU 23.A O no hydrogen 3.015 N/A GLU 28.A N ALA 24.A O no hydrogen 3.110 N/A GLU 28.A N TYR 25.A O no hydrogen 3.138 N/A GLY 29.A N VAL 26.A O no hydrogen 2.866 N/A ALA 30.A N TYR 25.A O no hydrogen 2.913 N/A THR 31.A N LYS 6.A O no hydrogen 2.824 N/A VAL 32.A N ALA 52.A O no hydrogen 3.019 N/A ALA 33.A N ALA 8.A O no hydrogen 2.885 N/A ILE 34.A N TYR 54.A O no hydrogen 2.732 N/A ALA 35.A N ILE 10.A O no hydrogen 3.298 N/A ASP 36.A N VAL 56.A O no hydrogen 2.929 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.794 N/A ARG 41.A N ASP 38.A OD1 no hydrogen 3.096 N/A ALA 42.A N ASP 38.A O no hydrogen 2.979 N/A ARG 43.A N ILE 39.A O no hydrogen 2.907 N/A GLN 44.A N GLU 40.A O no hydrogen 3.026 N/A ALA 45.A N ARG 41.A O no hydrogen 2.769 N/A ALA 46.A N ALA 42.A O no hydrogen 2.770 N/A ALA 47.A N ARG 43.A O no hydrogen 3.153 N/A GLU 48.A N GLN 44.A O no hydrogen 3.065 N/A ILE 49.A N ALA 45.A O no hydrogen 2.944 N/A GLY 50.A N ALA 46.A O no hydrogen 3.039 N/A ALA 53.A N GLY 50.A O no hydrogen 3.151 N/A TYR 54.A N VAL 32.A O no hydrogen 2.994 N/A TYR 54.A OH THR 73.A OG1 no hydrogen 2.910 N/A VAL 56.A N ILE 34.A O no hydrogen 2.958 N/A MET 58.A N ASP 36.A O no hydrogen 2.870 N/A ASP 59.A N SER 65.A OG no hydrogen 2.805 N/A THR 61.A N ASP 59.A OD1 no hydrogen 3.057 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.423 N/A ARG 62.A N ASP 59.A O no hydrogen 3.067 N/A ARG 62.A NH2 ASP 64.A OD2 no hydrogen 2.945 N/A GLN 63.A NE2 ASP 67.A OD1 no hydrogen 3.472 N/A GLN 63.A NE2 ASP 67.A OD2 no hydrogen 3.232 N/A SER 65.A OG ASP 59.A O no hydrogen 3.404 N/A ILE 66.A N ARG 62.A O no hydrogen 2.950 N/A ASP 67.A N GLN 63.A O no hydrogen 2.859 N/A ALA 68.A N ASP 64.A O no hydrogen 3.016 N/A ALA 69.A N SER 65.A O no hydrogen 2.904 N/A ILE 70.A N ILE 66.A O no hydrogen 3.051 N/A ALA 71.A N ASP 67.A O no hydrogen 3.057 N/A ALA 72.A N ALA 68.A O no hydrogen 2.947 N/A THR 73.A N ALA 69.A O no hydrogen 3.134 N/A THR 73.A OG1 TYR 54.A OH no hydrogen 2.910 N/A VAL 74.A N ILE 70.A O no hydrogen 3.010 N/A GLU 75.A N ALA 71.A O no hydrogen 2.870 N/A HIS 76.A N ALA 72.A O no hydrogen 2.944 N/A ALA 77.A N THR 73.A O no hydrogen 2.813 N/A GLY 78.A N VAL 74.A O no hydrogen 3.030 N/A LEU 80.A N GLN 128.A OE1 no hydrogen 2.802 N/A ASP 81.A N SER 7.A O no hydrogen 2.754 N/A ILE 82.A N SER 7.A O no hydrogen 3.135 N/A LEU 83.A N LYS 133.A O no hydrogen 2.820 N/A VAL 84.A N LEU 9.A O no hydrogen 2.949 N/A ASN 85.A N ILE 135.A O no hydrogen 2.861 N/A ASN 85.A ND2 ASN 136.A OD1 no hydrogen 2.704 N/A ASN 86.A N THR 11.A OG1 no hydrogen 2.768 N/A ASN 86.A ND2 THR 11.A O no hydrogen 3.075 N/A ALA 87.A N THR 11.A OG1 no hydrogen 2.977 N/A LEU 89.A N ASN 110.A OD1 no hydrogen 2.845 N/A LEU 92.A N ASP 91.A OD1 no hydrogen 2.808 N/A ALA 93.A N LEU 148.A O no hydrogen 2.816 N/A GLU 97.A N PRO 94.A O no hydrogen 3.047 N/A ILE 98.A N ILE 95.A O no hydrogen 3.281 N/A SER 102.A N THR 99.A OG1 no hydrogen 2.910 N/A SER 102.A OG ASP 91.A OD2 no hydrogen 2.568 N/A TYR 103.A N THR 99.A O no hydrogen 3.123 N/A GLU 104.A N ARG 100.A O no hydrogen 2.779 N/A LYS 105.A N GLU 101.A O no hydrogen 2.938 N/A LEU 106.A N SER 102.A O no hydrogen 2.976 N/A PHE 107.A N TYR 103.A O no hydrogen 2.973 N/A ALA 108.A N GLU 104.A O no hydrogen 2.995 N/A ILE 109.A N LYS 105.A O no hydrogen 3.249 N/A ASN 110.A N LEU 106.A O no hydrogen 2.776 N/A ASN 110.A ND2 LEU 89.A O no hydrogen 2.950 N/A ASN 110.A ND2 THR 155.A OG1 no hydrogen 3.036 N/A VAL 111.A N PHE 107.A O no hydrogen 3.138 N/A ALA 112.A N PHE 107.A O no hydrogen 2.896 N/A GLY 113.A N ALA 108.A O no hydrogen 2.831 N/A THR 114.A OG1 ASN 110.A O no hydrogen 3.115 N/A LEU 115.A N VAL 111.A O no hydrogen 2.727 N/A PHE 116.A N ALA 112.A O no hydrogen 2.846 N/A THR 117.A N GLY 113.A O no hydrogen 2.998 N/A THR 117.A OG1 GLY 113.A O no hydrogen 2.626 N/A LEU 118.A N THR 114.A O no hydrogen 2.850 N/A GLN 119.A N LEU 115.A O no hydrogen 2.873 N/A ALA 120.A N PHE 116.A O no hydrogen 3.092 N/A ALA 121.A N THR 117.A O no hydrogen 2.895 N/A ALA 122.A N LEU 118.A O no hydrogen 2.885 N/A ARG 123.A N GLN 119.A O no hydrogen 3.094 N/A GLN 124.A N ALA 120.A O no hydrogen 3.130 N/A GLN 124.A NE2 GLN 128.A OE1 no hydrogen 2.981 N/A MET 125.A N ALA 121.A O no hydrogen 2.841 N/A ILE 126.A N ALA 122.A O no hydrogen 2.687 N/A ALA 127.A N ARG 123.A O no hydrogen 2.983 N/A GLN 128.A N GLN 124.A O no hydrogen 3.007 N/A GLN 128.A NE2 LEU 80.A O no hydrogen 2.918 N/A GLY 129.A N MET 125.A O no hydrogen 3.153 N/A ARG 130.A NH1 ASP 81.A OD1 no hydrogen 2.949 N/A GLY 132.A N ARG 174.A O no hydrogen 2.983 N/A LYS 133.A N ASP 81.A O no hydrogen 2.895 N/A LYS 133.A NZ ASN 176.A OD1 no hydrogen 3.029 N/A LYS 133.A NZ SER 236.A O no hydrogen 3.089 N/A LYS 133.A NZ SER 239.A OG no hydrogen 3.225 N/A LYS 133.A NZ ASP 240.A OD1 no hydrogen 2.621 N/A ILE 134.A N ASN 176.A O no hydrogen 2.762 N/A ILE 135.A N LEU 83.A O no hydrogen 2.760 N/A ASN 136.A N ASN 178.A O no hydrogen 2.884 N/A ASN 136.A ND2 THR 163.A OG1 no hydrogen 3.076 N/A MET 137.A N ASN 85.A O no hydrogen 3.128 N/A ALA 138.A N ILE 180.A O no hydrogen 2.617 N/A GLN 140.A N PRO 182.A O no hydrogen 3.014 N/A ALA 141.A N SER 139.A OG no hydrogen 2.956 N/A GLY 142.A N SER 139.A O no hydrogen 3.060 N/A ARG 143.A N GLN 140.A O no hydrogen 2.955 N/A ARG 143.A NE ASN 248.A OD1 no hydrogen 2.959 N/A ARG 143.A NH2 ASN 248.A OD1 no hydrogen 3.121 N/A ARG 144.A NH1 ARG 144.A O no hydrogen 2.930 N/A ARG 144.A NH1 GLU 146.A OE1 no hydrogen 2.705 N/A ARG 144.A NH2 GLU 146.A OE1 no hydrogen 3.278 N/A VAL 149.A N GLU 146.A O no hydrogen 2.973 N/A CYS 153.A N VAL 149.A O no hydrogen 2.953 N/A CYS 153.A SG ALA 141.A O no hydrogen 3.517 N/A CYS 153.A SG ARG 144.A O no hydrogen 3.773 N/A CYS 153.A SG VAL 149.A O no hydrogen 3.034 N/A ALA 154.A N ALA 150.A O no hydrogen 3.017 N/A THR 155.A N ILE 151.A O no hydrogen 3.035 N/A THR 155.A OG1 TYR 152.A O no hydrogen 2.547 N/A LYS 156.A N TYR 152.A O no hydrogen 2.930 N/A LYS 156.A NZ MET 137.A O no hydrogen 2.765 N/A ALA 157.A N CYS 153.A O no hydrogen 2.902 N/A ALA 158.A N ALA 154.A O no hydrogen 2.895 N/A VAL 159.A N THR 155.A O no hydrogen 2.993 N/A ILE 160.A N LYS 156.A O no hydrogen 3.080 N/A SER 161.A N ALA 157.A O no hydrogen 3.125 N/A LEU 162.A N ALA 158.A O no hydrogen 2.750 N/A THR 163.A N VAL 159.A O no hydrogen 2.751 N/A THR 163.A OG1 VAL 159.A O no hydrogen 2.563 N/A GLN 164.A N ILE 160.A O no hydrogen 3.027 N/A SER 165.A N SER 161.A O no hydrogen 2.895 N/A SER 165.A OG SER 161.A O no hydrogen 3.432 N/A ALA 166.A N LEU 162.A O no hydrogen 2.768 N/A GLY 167.A N THR 163.A O no hydrogen 2.983 N/A LEU 168.A N GLN 164.A O no hydrogen 3.149 N/A ASP 169.A N SER 165.A O no hydrogen 3.059 N/A LEU 170.A N ALA 166.A O no hydrogen 2.793 N/A ILE 171.A N GLY 167.A O no hydrogen 3.314 N/A LYS 172.A NZ ASP 169.A O no hydrogen 2.771 N/A LYS 172.A NZ ASP 169.A OD1 no hydrogen 3.350 N/A HIS 173.A N LEU 170.A O no hydrogen 2.941 N/A ARG 174.A N ILE 171.A O no hydrogen 2.954 N/A ARG 174.A NH2 GLY 129.A O no hydrogen 2.972 N/A ASN 176.A N GLY 132.A O no hydrogen 2.972 N/A ASN 176.A ND2 ASP 240.A O no hydrogen 2.640 N/A ASN 176.A ND2 ILE 242.A O no hydrogen 2.923 N/A ASN 178.A N ILE 134.A O no hydrogen 3.059 N/A ASN 178.A ND2 ILE 242.A O no hydrogen 2.915 N/A ALA 179.A N GLN 245.A O no hydrogen 2.675 N/A ILE 180.A N ASN 136.A O no hydrogen 2.969 N/A ALA 181.A N TYR 247.A O no hydrogen 2.897 N/A ASP 186.A N GLY 222.A O no hydrogen 2.645 N/A GLY 187.A N ASP 186.A OD1 no hydrogen 2.817 N/A HIS 189.A NE2 VAL 185.A O no hydrogen 2.773 N/A TRP 190.A N GLY 187.A O no hydrogen 2.969 N/A ASP 191.A N GLU 188.A O no hydrogen 3.365 N/A VAL 193.A N HIS 189.A O no hydrogen 3.063 N/A ASP 194.A N TRP 190.A O no hydrogen 2.681 N/A ALA 195.A N ASP 191.A O no hydrogen 3.011 N/A LEU 196.A N GLY 192.A O no hydrogen 2.996 N/A PHE 197.A N VAL 193.A O no hydrogen 3.133 N/A ALA 198.A N ASP 194.A O no hydrogen 2.667 N/A ARG 199.A N ALA 195.A O no hydrogen 2.922 N/A TYR 200.A N LEU 196.A O no hydrogen 3.343 N/A TYR 200.A OH GLU 97.A OE1 no hydrogen 2.546 N/A GLU 201.A N PHE 197.A O no hydrogen 2.714 N/A ASN 202.A N ALA 198.A O no hydrogen 2.644 N/A ARG 203.A N ALA 198.A O no hydrogen 3.050 N/A ARG 203.A NE GLU 201.A OE1 no hydrogen 2.848 N/A ARG 203.A NH1 GLU 207.A OE1 no hydrogen 2.955 N/A ARG 203.A NH2 GLU 201.A OE1 no hydrogen 3.065 N/A GLY 206.A N ASP 194.A OD1 no hydrogen 2.701 N/A GLU 207.A N PRO 204.A O no hydrogen 3.229 N/A LYS 208.A NZ GLU 201.A OE1 no hydrogen 3.250 N/A LYS 209.A N ASP 194.A OD2 no hydrogen 2.996 N/A LYS 209.A NZ ASP 186.A OD1 no hydrogen 2.862 N/A ARG 210.A N GLY 206.A O no hydrogen 2.958 N/A ARG 210.A NH1 GLU 214.A OE2 no hydrogen 3.143 N/A LEU 211.A N GLU 207.A O no hydrogen 2.864 N/A VAL 212.A N LYS 208.A O no hydrogen 2.928 N/A GLY 213.A N LYS 209.A O no hydrogen 3.305 N/A GLU 214.A N ARG 210.A O no hydrogen 3.062 N/A ALA 215.A N VAL 212.A O no hydrogen 3.193 N/A PHE 218.A N GLY 251.A O no hydrogen 2.901 N/A GLY 219.A N VAL 216.A O no hydrogen 2.820 N/A ARG 220.A NH1 MET 221.A O no hydrogen 3.028 N/A ARG 220.A NH1 ASP 226.A OD1 no hydrogen 3.459 N/A ARG 220.A NH1 ASP 226.A OD2 no hydrogen 2.960 N/A ARG 220.A NH2 ASP 226.A OD1 no hydrogen 2.778 N/A GLY 222.A N VAL 184.A O no hydrogen 2.746 N/A THR 223.A N ASP 226.A OD2 no hydrogen 2.769 N/A ASP 226.A N THR 223.A O no hydrogen 3.235 N/A ASP 226.A N THR 223.A OG1 no hydrogen 3.349 N/A LEU 227.A N ALA 224.A O no hydrogen 2.844 N/A THR 228.A OG1 GLU 225.A O no hydrogen 2.998 N/A ALA 231.A N LEU 227.A O no hydrogen 3.119 N/A ILE 232.A N THR 228.A O no hydrogen 3.010 N/A PHE 233.A N GLY 229.A O no hydrogen 2.954 N/A LEU 234.A N MET 230.A O no hydrogen 2.884 N/A ALA 235.A N ILE 232.A O no hydrogen 2.975 N/A SER 236.A N PHE 233.A O no hydrogen 2.992 N/A SER 236.A OG PHE 233.A O no hydrogen 2.616 N/A SER 239.A N SER 236.A O no hydrogen 3.327 N/A SER 239.A OG PHE 233.A O no hydrogen 2.984 N/A SER 239.A OG SER 236.A O no hydrogen 2.860 N/A ASP 240.A N ALA 237.A O no hydrogen 3.138 N/A ILE 242.A N SER 239.A O no hydrogen 2.973 N/A SER 244.A N VAL 177.A O no hydrogen 2.825 N/A SER 244.A OG GLN 164.A O no hydrogen 2.795 N/A GLN 245.A N ASN 178.A OD1 no hydrogen 2.843 N/A GLN 245.A NE2 VAL 243.A O no hydrogen 2.753 N/A TYR 247.A N ALA 179.A O no hydrogen 3.029 N/A ASN 248.A ND2 TRP 254.A O no hydrogen 2.730 N/A ASN 248.A ND2 SER 256.A OG no hydrogen 2.973 N/A VAL 249.A N ALA 181.A O no hydrogen 2.969 N/A GLY 252.A N ASP 250.A OD1 no hydrogen 2.972 N/A ASN 253.A N ASP 250.A O no hydrogen 2.947 N/A ASN 253.A ND2 GLN 140.A OE1 no hydrogen 2.875 N/A TRP 254.A N ASP 250.A OD2 no hydrogen 2.761 N/A