Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mds_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLU 54.A OE2 no hydrogen 2.786 N/A PHE 4.A N ASN 41.A OD1 no hydrogen 2.822 N/A TYR 11.A OH TRP 87.A O no hydrogen 2.640 N/A ALA 15.A N PRO 12.A O no hydrogen 2.874 N/A GLU 17.A N GLU 14.A O no hydrogen 3.234 N/A ILE 20.A N LEU 16.A O no hydrogen 3.223 N/A ALA 22.A N GLU 17.A OE2 no hydrogen 2.987 N/A THR 24.A N ASP 21.A OD2 no hydrogen 3.031 N/A THR 24.A OG1 ASP 21.A OD1 no hydrogen 3.080 N/A THR 24.A OG1 ASP 21.A OD2 no hydrogen 2.661 N/A MET 25.A N ASP 21.A O no hydrogen 3.229 N/A GLU 26.A N ALA 22.A O no hydrogen 3.063 N/A ILE 27.A N LYS 23.A O no hydrogen 3.029 N/A HIS 28.A N THR 24.A O no hydrogen 2.702 N/A HIS 28.A NE2 HIS 83.A NE2 no hydrogen 3.067 N/A HIS 29.A N MET 25.A O no hydrogen 3.068 N/A HIS 29.A NE2 PRO 7.A O no hydrogen 2.800 N/A GLN 30.A N GLU 26.A O no hydrogen 2.871 N/A GLN 30.A NE2 TYR 13.A OH no hydrogen 3.145 N/A LYS 31.A N ILE 27.A O no hydrogen 2.915 N/A HIS 32.A N ILE 27.A O no hydrogen 3.146 N/A HIS 33.A N HIS 28.A O no hydrogen 2.930 N/A HIS 33.A NE2 HIS 80.A ND1 no hydrogen 3.013 N/A GLY 34.A N HIS 29.A O no hydrogen 3.246 N/A ALA 35.A N LYS 31.A O no hydrogen 3.095 N/A TYR 36.A N HIS 32.A O no hydrogen 3.135 N/A VAL 37.A N HIS 33.A O no hydrogen 3.158 N/A THR 38.A N GLY 34.A O no hydrogen 3.179 N/A THR 38.A OG1 GLY 34.A O no hydrogen 3.083 N/A ASN 39.A N ALA 35.A O no hydrogen 3.025 N/A ASN 39.A ND2 ASN 76.A OD1 no hydrogen 3.559 N/A LEU 40.A N TYR 36.A O no hydrogen 2.912 N/A ASN 41.A N VAL 37.A O no hydrogen 3.062 N/A ASN 41.A ND2 PHE 4.A O no hydrogen 2.901 N/A ALA 42.A N THR 38.A O no hydrogen 2.925 N/A ALA 43.A N ASN 39.A O no hydrogen 3.067 N/A LEU 44.A N LEU 40.A O no hydrogen 3.084 N/A GLU 45.A N ASN 41.A O no hydrogen 2.920 N/A TYR 47.A N LEU 44.A O no hydrogen 3.125 N/A TYR 47.A OH ASP 68.A OD1 no hydrogen 2.802 N/A TYR 47.A OH ASP 68.A OD2 no hydrogen 3.138 N/A LEU 50.A N TYR 47.A O no hydrogen 3.009 N/A HIS 51.A N PRO 48.A O no hydrogen 2.956 N/A HIS 51.A NE2 LEU 44.A O no hydrogen 2.781 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.718 N/A LEU 58.A N GLU 54.A O no hydrogen 3.290 N/A LEU 59.A N VAL 55.A O no hydrogen 3.068 N/A ARG 60.A N GLU 56.A O no hydrogen 3.081 N/A HIS 61.A N LEU 58.A O no hydrogen 3.217 N/A HIS 61.A ND1 VAL 57.A O no hydrogen 3.109 N/A ALA 64.A N HIS 61.A O no hydrogen 3.056 N/A LEU 65.A N LEU 62.A O no hydrogen 3.087 N/A ILE 69.A N PRO 66.A O no hydrogen 3.059 N/A GLN 70.A N GLN 67.A O no hydrogen 3.484 N/A GLN 70.A NE2 LEU 65.A O no hydrogen 2.871 N/A VAL 73.A N ILE 69.A O no hydrogen 2.964 N/A ARG 74.A N GLN 70.A O no hydrogen 2.980 N/A ARG 74.A NE ASP 152.A OD1 no hydrogen 2.886 N/A ARG 74.A NH2 ASP 152.A OD1 no hydrogen 3.512 N/A ARG 74.A NH2 ASP 152.A OD2 no hydrogen 2.794 N/A ASN 75.A N THR 71.A O no hydrogen 2.903 N/A ASN 76.A N ALA 72.A O no hydrogen 2.938 N/A ASN 76.A ND2 ALA 72.A O no hydrogen 2.953 N/A GLY 77.A N VAL 73.A O no hydrogen 2.654 N/A GLY 78.A N ARG 74.A O no hydrogen 3.066 N/A GLY 79.A N ASN 75.A O no hydrogen 2.845 N/A HIS 80.A N ASN 76.A O no hydrogen 2.871 N/A HIS 80.A ND1 HIS 33.A NE2 no hydrogen 3.013 N/A LEU 81.A N GLY 77.A O no hydrogen 3.043 N/A ASN 82.A N GLY 78.A O no hydrogen 2.949 N/A ASN 82.A ND2 GLN 151.A O no hydrogen 3.050 N/A ASN 82.A ND2 GLN 151.A OE1 no hydrogen 3.201 N/A ASN 82.A ND2 ASP 152.A O no hydrogen 3.667 N/A HIS 83.A N GLY 79.A O no hydrogen 3.129 N/A HIS 83.A ND1 GLY 79.A O no hydrogen 2.679 N/A HIS 83.A NE2 HIS 28.A NE2 no hydrogen 3.067 N/A SER 84.A N HIS 80.A O no hydrogen 2.985 N/A SER 84.A OG HIS 80.A O no hydrogen 2.682 N/A LEU 85.A N LEU 81.A O no hydrogen 3.131 N/A PHE 86.A N ASN 82.A O no hydrogen 3.056 N/A TRP 87.A N HIS 83.A O no hydrogen 3.008 N/A TRP 87.A NE1 HIS 33.A ND1 no hydrogen 2.911 N/A LEU 89.A N LEU 85.A O no hydrogen 3.021 N/A LEU 90.A N PHE 86.A O no hydrogen 3.085 N/A LEU 90.A N TRP 87.A O no hydrogen 3.281 N/A THR 91.A N ARG 88.A O no hydrogen 3.163 N/A THR 91.A OG1 ARG 88.A O no hydrogen 2.827 N/A ALA 95.A N ASP 194.A OD2 no hydrogen 2.862 N/A LYS 96.A NZ GLY 94.A O no hydrogen 3.208 N/A LYS 96.A NZ LEU 191.A O no hydrogen 3.073 N/A GLU 101.A N GLU 197.A OE2 no hydrogen 2.914 N/A LEU 102.A N GLU 197.A OE1 no hydrogen 2.823 N/A LYS 103.A N VAL 99.A O no hydrogen 3.189 N/A LYS 103.A NZ ASP 107.A OD2 no hydrogen 2.769 N/A LYS 104.A N GLY 100.A O no hydrogen 3.226 N/A LYS 104.A NZ GLU 101.A OE2 no hydrogen 3.548 N/A ALA 105.A N GLU 101.A O no hydrogen 3.054 N/A ILE 106.A N LEU 102.A O no hydrogen 2.892 N/A ASP 107.A N LYS 103.A O no hydrogen 2.844 N/A GLU 108.A N LYS 104.A O no hydrogen 2.961 N/A GLN 109.A N ALA 105.A O no hydrogen 2.754 N/A GLN 109.A NE2 GLY 141.A O no hydrogen 3.145 N/A PHE 110.A N ILE 106.A O no hydrogen 2.795 N/A GLY 111.A N ILE 106.A O no hydrogen 3.251 N/A GLY 111.A N ASP 107.A O no hydrogen 3.080 N/A LEU 116.A N GLY 112.A O no hydrogen 3.205 N/A LYS 117.A N PHE 113.A O no hydrogen 2.865 N/A GLU 118.A N GLN 114.A O no hydrogen 3.187 N/A LYS 119.A N ALA 115.A O no hydrogen 3.083 N/A LEU 120.A N LEU 116.A O no hydrogen 2.795 N/A THR 121.A N LYS 117.A O no hydrogen 2.833 N/A THR 121.A OG1 LYS 117.A O no hydrogen 2.695 N/A GLN 122.A N GLU 118.A O no hydrogen 2.948 N/A ALA 123.A N LYS 119.A O no hydrogen 3.007 N/A ALA 124.A N LEU 120.A O no hydrogen 3.033 N/A MET 125.A N THR 121.A O no hydrogen 2.959 N/A GLY 126.A N GLN 122.A O no hydrogen 2.938 N/A ARG 127.A NE SER 147.A OG no hydrogen 3.051 N/A ARG 127.A NH2 SER 147.A OG no hydrogen 3.164 N/A TRP 132.A N THR 148.A O no hydrogen 3.117 N/A TRP 132.A NE1 GLN 151.A OE1 no hydrogen 2.973 N/A ALA 133.A N ILE 165.A O no hydrogen 3.007 N/A TRP 134.A N LEU 146.A O no hydrogen 2.759 N/A TRP 134.A NE1 THR 148.A OG1 no hydrogen 2.923 N/A LEU 135.A N VAL 163.A O no hydrogen 2.898 N/A VAL 136.A N HIS 144.A O no hydrogen 2.885 N/A LYS 137.A N THR 160.A O no hydrogen 2.929 N/A ASP 138.A N LYS 142.A O no hydrogen 2.905 N/A PHE 140.A N ASP 138.A OD1 no hydrogen 2.829 N/A GLY 141.A N ASP 138.A O no hydrogen 3.315 N/A LYS 142.A N ASP 138.A OD1 no hydrogen 3.063 N/A LEU 143.A N GLN 109.A OE1 no hydrogen 3.003 N/A HIS 144.A N VAL 136.A O no hydrogen 2.931 N/A HIS 144.A NE2 ASP 138.A OD2 no hydrogen 2.765 N/A LEU 146.A N TRP 134.A O no hydrogen 3.102 N/A THR 148.A N TRP 132.A O no hydrogen 2.967 N/A THR 148.A OG1 ASP 152.A O no hydrogen 2.866 N/A ASN 150.A N SER 130.A O no hydrogen 2.895 N/A GLN 151.A NE2 TYR 36.A OH no hydrogen 3.110 N/A ASP 152.A N PRO 149.A O no hydrogen 2.942 N/A ASN 153.A ND2 ASN 82.A OD1 no hydrogen 2.705 N/A VAL 155.A N ASN 153.A OD1 no hydrogen 2.910 N/A MET 156.A N ASN 153.A O no hydrogen 3.039 N/A GLU 157.A N PRO 154.A O no hydrogen 3.077 N/A GLY 158.A N VAL 155.A O no hydrogen 2.991 N/A PHE 159.A N PRO 154.A O no hydrogen 3.105 N/A THR 160.A N LYS 137.A O no hydrogen 2.905 N/A ILE 162.A N LEU 135.A O no hydrogen 2.879 N/A VAL 163.A N LEU 135.A O no hydrogen 3.104 N/A ILE 165.A N ALA 133.A O no hydrogen 2.791 N/A VAL 167.A N GLY 131.A O no hydrogen 2.846 N/A TRP 168.A N ASP 166.A OD1 no hydrogen 3.171 N/A TRP 168.A NE1 ASN 150.A O no hydrogen 2.766 N/A ALA 171.A N TRP 168.A O no hydrogen 2.943 N/A TYR 172.A N GLU 169.A O no hydrogen 3.001 N/A TYR 173.A N GLU 169.A O no hydrogen 2.740 N/A TYR 176.A N TYR 172.A O no hydrogen 2.951 N/A TYR 176.A OH HIS 19.A O no hydrogen 2.655 N/A GLN 177.A N TYR 173.A O no hydrogen 2.932 N/A GLN 177.A NE2 TYR 173.A O no hydrogen 3.194 N/A ARG 179.A N TYR 176.A O no hydrogen 2.932 N/A ARG 179.A NE ASP 182.A OD2 no hydrogen 3.004 N/A ARG 179.A NH1 GLN 177.A OE1 no hydrogen 3.456 N/A ARG 180.A N ASN 178.A O no hydrogen 2.969 N/A ARG 180.A NE TYR 172.A OH no hydrogen 3.058 N/A ARG 180.A NH1 ALA 124.A O no hydrogen 2.642 N/A ARG 180.A NH1 ARG 127.A O no hydrogen 2.819 N/A ARG 180.A NH2 ARG 127.A O no hydrogen 3.422 N/A ARG 180.A NH2 GLY 129.A O no hydrogen 3.273 N/A ARG 180.A NH2 TYR 172.A OH no hydrogen 3.508 N/A ASP 182.A N ARG 179.A O no hydrogen 3.056 N/A TYR 183.A N ARG 179.A O no hydrogen 3.270 N/A TYR 183.A OH ASP 166.A O no hydrogen 2.816 N/A LEU 184.A N ARG 180.A O no hydrogen 3.021 N/A GLN 185.A N ALA 181.A O no hydrogen 3.038 N/A ALA 186.A N ASP 182.A O no hydrogen 3.147 N/A ILE 187.A N TYR 183.A O no hydrogen 2.975 N/A ASN 189.A N ALA 186.A O no hydrogen 3.004 N/A ASN 189.A ND2 ALA 186.A O no hydrogen 3.530 N/A VAL 190.A N ILE 187.A O no hydrogen 3.001 N/A LEU 191.A N ILE 187.A O no hydrogen 3.267 N/A ASN 192.A N LEU 89.A O no hydrogen 2.797 N/A ASN 192.A ND2 THR 91.A O no hydrogen 2.882 N/A TRP 193.A N ALA 95.A O no hydrogen 3.008 N/A ASP 194.A N ASN 192.A OD1 no hydrogen 2.889 N/A VAL 195.A N ASN 192.A O no hydrogen 3.266 N/A VAL 195.A N ASN 192.A OD1 no hydrogen 3.092 N/A ALA 196.A N ASN 192.A O no hydrogen 3.211 N/A GLU 197.A N TRP 193.A O no hydrogen 3.070 N/A GLU 198.A N ASP 194.A O no hydrogen 3.194 N/A PHE 199.A N VAL 195.A O no hydrogen 3.076 N/A PHE 200.A N ALA 196.A O no hydrogen 2.857 N/A LYS 201.A N GLU 197.A O no hydrogen 2.937 N/A LYS 202.A N GLU 198.A O no hydrogen 2.987 N/A LYS 202.A NZ PHE 199.A O no hydrogen 3.183 N/A