Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N HIS 3.A NE2 no hydrogen 2.714 N/A HIS 3.A N ILE 101.A O no hydrogen 3.009 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 3.181 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.522 N/A THR 4.A N ASP 29.A OD1 no hydrogen 2.764 N/A LEU 5.A N CYS 99.A O no hydrogen 2.979 N/A ARG 6.A N TYR 27.A O no hydrogen 2.855 N/A ARG 6.A NH1 ASP 100.A OD1 no hydrogen 2.658 N/A ARG 6.A NH1 ASP 100.A OD2 no hydrogen 3.437 N/A ARG 6.A NH2 LEU 5.A O no hydrogen 3.158 N/A ARG 6.A NH2 CYS 99.A O no hydrogen 3.500 N/A ARG 6.A NH2 ASP 100.A OD1 no hydrogen 2.745 N/A TYR 7.A N PHE 97.A O no hydrogen 2.861 N/A ILE 8.A N VAL 25.A O no hydrogen 3.142 N/A ARG 9.A N TRP 95.A O no hydrogen 2.741 N/A THR 10.A N VAL 23.A O no hydrogen 3.017 N/A ALA 11.A N VAL 93.A O no hydrogen 2.900 N/A MET 12.A N TRP 21.A O no hydrogen 2.860 N/A THR 13.A N HIS 91.A O no hydrogen 3.020 N/A THR 13.A OG1 GLY 89.A O no hydrogen 2.853 N/A THR 13.A OG1 HIS 91.A O no hydrogen 3.395 N/A GLN 19.A NE2 PRO 17.A O no hydrogen 3.621 N/A PHE 22.A N SER 38.A OG no hydrogen 2.993 N/A VAL 23.A N THR 10.A O no hydrogen 3.024 N/A THR 24.A N TYR 36.A O no hydrogen 2.734 N/A VAL 25.A N ILE 8.A O no hydrogen 3.237 N/A GLY 26.A N VAL 34.A O no hydrogen 2.870 N/A TYR 27.A N ARG 6.A O no hydrogen 2.786 N/A VAL 28.A N GLU 31.A O no hydrogen 3.005 N/A ASP 29.A N THR 4.A O no hydrogen 2.751 N/A GLU 31.A N VAL 28.A O no hydrogen 2.982 N/A PHE 33.A N GLY 26.A O no hydrogen 2.939 N/A HIS 35.A N VAL 44.A O no hydrogen 3.102 N/A TYR 36.A N THR 24.A O no hydrogen 2.828 N/A TYR 36.A OH GLU 70.A OE1 no hydrogen 2.726 N/A SER 38.A N PHE 22.A O no hydrogen 2.787 N/A SER 38.A OG PHE 22.A O no hydrogen 3.323 N/A THR 39.A N ASN 37.A OD1 no hydrogen 2.734 N/A ALA 40.A N ASN 37.A OD1 no hydrogen 2.723 N/A ARG 41.A N ASN 37.A O no hydrogen 2.811 N/A TYR 43.A N THR 63.A OG1 no hydrogen 2.944 N/A VAL 44.A N HIS 35.A O no hydrogen 2.852 N/A ARG 46.A N PHE 33.A O no hydrogen 2.972 N/A ILE 50.A N THR 47.A OG1 no hydrogen 3.302 N/A ALA 51.A N THR 47.A O no hydrogen 3.460 N/A ALA 52.A N GLU 48.A O no hydrogen 3.033 N/A ASN 53.A N ILE 50.A O no hydrogen 3.399 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 3.052 N/A THR 54.A OG1 ILE 50.A O no hydrogen 2.762 N/A GLN 56.A NE2 ASP 60.A OD1 no hydrogen 2.720 N/A GLN 57.A NE2 ASP 55.A OD1 no hydrogen 3.112 N/A TYR 58.A N ASP 55.A O no hydrogen 2.932 N/A TYR 58.A N ASP 55.A OD2 no hydrogen 3.245 N/A TYR 58.A OH TYR 168.A OH no hydrogen 2.723 N/A ASP 60.A N GLN 56.A O no hydrogen 2.988 N/A GLY 61.A N GLN 57.A O no hydrogen 2.950 N/A GLN 62.A N TYR 58.A O no hydrogen 3.055 N/A THR 63.A N TRP 59.A O no hydrogen 2.810 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.734 N/A GLN 64.A N ASP 60.A O no hydrogen 3.176 N/A ILE 65.A N GLY 61.A O no hydrogen 2.781 N/A GLY 66.A N GLN 62.A O no hydrogen 2.722 N/A GLN 67.A N THR 63.A O no hydrogen 2.818 N/A LEU 68.A N GLN 64.A O no hydrogen 2.947 N/A ASN 69.A N ILE 65.A O no hydrogen 2.940 N/A GLU 70.A N GLY 66.A O no hydrogen 3.060 N/A GLN 71.A N GLN 67.A O no hydrogen 3.398 N/A GLN 71.A NE2 GLU 75.A OE1 no hydrogen 2.854 N/A ILE 72.A N LEU 68.A O no hydrogen 3.079 N/A ASN 73.A N ASN 69.A O no hydrogen 2.822 N/A ARG 74.A N GLU 70.A O no hydrogen 2.965 N/A ARG 74.A NH1 GLN 71.A OE1 no hydrogen 2.978 N/A GLU 75.A N GLN 71.A O no hydrogen 3.175 N/A ASN 76.A N ILE 72.A O no hydrogen 2.900 N/A LEU 77.A N ASN 73.A O no hydrogen 2.967 N/A GLY 78.A N ARG 74.A O no hydrogen 3.333 N/A ILE 79.A N GLU 75.A O no hydrogen 2.818 N/A ARG 80.A N ASN 76.A O no hydrogen 2.875 N/A ARG 80.A NH1 SER 113.A OG no hydrogen 3.261 N/A ARG 80.A NH2 SER 113.A OG no hydrogen 3.004 N/A GLN 81.A N LEU 77.A O no hydrogen 3.133 N/A ARG 82.A N GLY 78.A O no hydrogen 3.124 N/A ARG 83.A N ILE 79.A O no hydrogen 2.974 N/A ARG 83.A NH1 GLU 136.A O no hydrogen 2.770 N/A ARG 83.A NH1 THR 140.A OG1 no hydrogen 3.115 N/A TYR 84.A N ARG 80.A O no hydrogen 3.002 N/A ASN 85.A N ARG 82.A O no hydrogen 3.023 N/A GLN 86.A N GLN 81.A O no hydrogen 2.650 N/A HIS 91.A N THR 13.A OG1 no hydrogen 2.798 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.846 N/A HIS 91.A NE2 GLY 88.A O no hydrogen 2.812 N/A THR 92.A N ASP 116.A OD1 no hydrogen 2.971 N/A VAL 93.A N ALA 11.A O no hydrogen 2.807 N/A GLN 94.A N ALA 114.A O no hydrogen 2.951 N/A TRP 95.A N ARG 9.A O no hydrogen 2.968 N/A MET 96.A N GLN 112.A O no hydrogen 2.914 N/A PHE 97.A N TYR 7.A O no hydrogen 3.128 N/A GLY 98.A N TYR 110.A O no hydrogen 3.290 N/A CYS 99.A N LEU 5.A O no hydrogen 3.033 N/A ASP 100.A N ARG 108.A O no hydrogen 2.850 N/A ILE 101.A N HIS 3.A O no hydrogen 2.790 N/A LEU 102.A N THR 106.A O no hydrogen 2.847 N/A GLY 105.A N LEU 102.A O no hydrogen 3.073 N/A ARG 108.A N ASP 100.A O no hydrogen 2.936 N/A ARG 108.A NH2 ASP 100.A OD2 no hydrogen 3.071 N/A TYR 110.A N GLY 98.A O no hydrogen 3.314 N/A GLN 112.A N MET 96.A O no hydrogen 2.980 N/A SER 113.A N ILE 121.A O no hydrogen 2.747 N/A SER 113.A OG GLN 94.A O no hydrogen 2.812 N/A ALA 114.A N GLN 94.A O no hydrogen 2.873 N/A TYR 115.A N ARG 118.A O no hydrogen 2.745 N/A ASP 116.A N THR 92.A O no hydrogen 2.942 N/A ARG 118.A N TYR 115.A O no hydrogen 3.018 N/A PHE 120.A N SER 113.A O no hydrogen 2.914 N/A ILE 121.A N SER 113.A O no hydrogen 3.396 N/A ALA 122.A N THR 131.A O no hydrogen 3.387 N/A LEU 123.A N ARG 111.A O no hydrogen 2.812 N/A ASP 124.A N THR 129.A O no hydrogen 3.015 N/A MET 127.A N ASP 124.A O no hydrogen 2.710 N/A LYS 128.A N ASP 126.A OD2 no hydrogen 3.182 N/A THR 129.A OG1 ASP 124.A OD1 no hydrogen 2.861 N/A THR 129.A OG1 ASP 124.A OD2 no hydrogen 2.830 N/A PHE 130.A N GLU 145.A OE1 no hydrogen 3.079 N/A THR 131.A N ALA 122.A O no hydrogen 2.849 N/A THR 131.A OG1 ASP 124.A OD2 no hydrogen 3.103 N/A ALA 133.A N PHE 120.A O no hydrogen 2.782 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.798 N/A ALA 137.A N VAL 134.A O no hydrogen 2.804 N/A VAL 138.A N PRO 135.A O no hydrogen 3.080 N/A LYS 141.A N ALA 137.A O no hydrogen 3.022 N/A LYS 141.A NZ PHE 130.A O no hydrogen 2.689 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 2.574 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.544 N/A ARG 142.A N VAL 138.A O no hydrogen 3.039 N/A LYS 143.A N PRO 139.A O no hydrogen 2.980 N/A LYS 143.A NZ GLU 147.A OE1 no hydrogen 3.082 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 2.871 N/A TRP 144.A N THR 140.A O no hydrogen 2.956 N/A GLU 145.A N LYS 141.A O no hydrogen 3.105 N/A GLU 146.A N ARG 142.A O no hydrogen 3.173 N/A GLU 147.A N LYS 143.A O no hydrogen 2.963 N/A GLU 147.A N TRP 144.A O no hydrogen 2.969 N/A SER 148.A N GLU 145.A O no hydrogen 3.476 N/A GLU 149.A N TRP 144.A O no hydrogen 2.902 N/A ARG 152.A N SER 148.A O no hydrogen 3.386 N/A ARG 152.A NH1 GLU 149.A OE2 no hydrogen 3.193 N/A TRP 153.A N GLU 149.A O no hydrogen 2.941 N/A TRP 153.A NE1 GLU 149.A OE1 no hydrogen 3.158 N/A LYS 154.A N PRO 150.A O no hydrogen 2.785 N/A ASN 155.A N GLU 151.A O no hydrogen 3.087 N/A TYR 156.A N ARG 152.A O no hydrogen 3.259 N/A LEU 157.A N TRP 153.A O no hydrogen 3.011 N/A GLU 158.A N LYS 154.A O no hydrogen 2.972 N/A GLU 159.A N ASN 155.A O no hydrogen 2.941 N/A THR 160.A N ASN 155.A O no hydrogen 3.344 N/A CYS 161.A N TYR 156.A O no hydrogen 2.592 N/A GLU 163.A N GLU 159.A O no hydrogen 2.805 N/A TRP 164.A N THR 160.A O no hydrogen 3.057 N/A LEU 165.A N CYS 161.A O no hydrogen 2.929 N/A ARG 166.A N VAL 162.A O no hydrogen 2.968 N/A ARG 167.A N GLU 163.A O no hydrogen 3.287 N/A TYR 168.A N TRP 164.A O no hydrogen 2.902 N/A TYR 168.A OH TYR 58.A OH no hydrogen 2.723 N/A VAL 169.A N LEU 165.A O no hydrogen 3.032 N/A GLU 170.A N ARG 166.A O no hydrogen 3.257 N/A TYR 171.A N ARG 167.A O no hydrogen 2.941 N/A GLY 172.A N TYR 168.A O no hydrogen 2.972 N/A LEU 176.A N GLY 172.A O no hydrogen 2.750 N/A GLY 177.A N LYS 173.A O no hydrogen 2.816 N/A ARG 178.A N GLU 175.A O no hydrogen 3.400 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.586 N/A ARG 178.A NH1 GLU 175.A O no hydrogen 2.764 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 3.106 N/A ARG 179.A NH1 ALA 260.A O no hydrogen 3.430 N/A GLU 180.A N TYR 205.A O no hydrogen 2.926 N/A ARG 181.A NE SER 261.A O no hydrogen 2.839 N/A GLU 183.A N HIS 202.A O no hydrogen 3.037 N/A ARG 185.A N ARG 200.A O no hydrogen 3.060 N/A TRP 187.A N SER 198.A O no hydrogen 2.849 N/A ILE 194.A N ALA 191.A O no hydrogen 3.140 N/A LEU 195.A N ALA 245.A O no hydrogen 2.955 N/A LEU 197.A N ILE 243.A O no hydrogen 2.754 N/A SER 198.A N TRP 187.A O no hydrogen 2.627 N/A SER 198.A OG TRP 187.A O no hydrogen 3.048 N/A CYS 199.A N VAL 241.A O no hydrogen 2.865 N/A ARG 200.A N ARG 185.A O no hydrogen 2.981 N/A ARG 200.A NH1 HIS 238.A NE2 no hydrogen 3.174 N/A ALA 201.A N THR 239.A O no hydrogen 3.115 N/A HIS 202.A N GLU 183.A O no hydrogen 2.798 N/A GLY 203.A N TYR 237.A O no hydrogen 2.919 N/A PHE 204.A N TYR 237.A O no hydrogen 3.176 N/A TYR 205.A N GLU 180.A O no hydrogen 3.165 N/A TYR 205.A OH LEU 176.A O no hydrogen 3.422 N/A VAL 210.A N GLU 258.A O no hydrogen 3.262 N/A SER 212.A N ARG 256.A O no hydrogen 2.999 N/A TRP 213.A NE1 VAL 241.A O no hydrogen 3.035 N/A LEU 214.A N GLN 254.A O no hydrogen 2.592 N/A LYS 215.A N ALA 218.A O no hydrogen 2.611 N/A ARG 220.A N TRP 213.A O no hydrogen 2.628 N/A ARG 220.A NH1 ASP 223.A OD2 no hydrogen 3.535 N/A ALA 224.A N GLY 221.A O no hydrogen 2.719 N/A HIS 225.A N THR 242.A O no hydrogen 2.818 N/A GLY 227.A N TRP 240.A O no hydrogen 2.973 N/A GLY 228.A N SER 226.A OG no hydrogen 2.780 N/A VAL 230.A N HIS 238.A O no hydrogen 2.838 N/A ASN 232.A N THR 236.A O no hydrogen 2.770 N/A ASN 232.A ND2 THR 236.A OG1 no hydrogen 2.811 N/A ASN 232.A ND2 TYR 237.A O no hydrogen 3.098 N/A THR 236.A N ASP 234.A OD1 no hydrogen 2.979 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.493 N/A TYR 237.A N PHE 204.A O no hydrogen 2.907 N/A TYR 237.A OH GLU 31.A OE1 no hydrogen 3.206 N/A TYR 237.A OH GLU 31.A OE2 no hydrogen 2.514 N/A HIS 238.A N VAL 230.A O no hydrogen 2.671 N/A THR 239.A N ALA 201.A O no hydrogen 3.333 N/A THR 239.A OG1 GLY 228.A O no hydrogen 2.905 N/A VAL 241.A N CYS 199.A O no hydrogen 2.957 N/A THR 242.A N HIS 225.A O no hydrogen 2.786 N/A THR 242.A OG1 HIS 225.A O no hydrogen 3.339 N/A ILE 243.A N LEU 197.A O no hydrogen 2.857 N/A ALA 245.A N LEU 195.A O no hydrogen 2.710 N/A ASP 249.A N GLN 246.A O no hydrogen 3.303 N/A LYS 252.A N ASP 249.A O no hydrogen 2.788 N/A LYS 252.A NZ ASP 249.A OD1 no hydrogen 3.332 N/A LYS 252.A NZ ASP 249.A OD2 no hydrogen 3.476 N/A TYR 253.A N GLY 250.A O no hydrogen 3.099 N/A GLN 254.A N LEU 214.A O no hydrogen 2.898 N/A CYS 255.A N TYR 268.A O no hydrogen 2.784 N/A CYS 255.A SG SER 212.A O no hydrogen 3.777 N/A ARG 256.A N SER 212.A O no hydrogen 2.859 N/A VAL 257.A N GLY 266.A O no hydrogen 2.849 N/A GLU 258.A N VAL 210.A O no hydrogen 2.892 N/A HIS 259.A ND1 SER 261.A OG no hydrogen 2.715 N/A HIS 259.A NE2 PRO 206.A O no hydrogen 3.050 N/A SER 261.A N HIS 259.A ND1 no hydrogen 3.147 N/A SER 261.A OG GLU 180.A O no hydrogen 3.387 N/A SER 261.A OG HIS 259.A ND1 no hydrogen 2.715 N/A LEU 262.A N HIS 259.A O no hydrogen 3.052 N/A GLY 266.A N VAL 257.A O no hydrogen 2.820 N/A TYR 268.A N CYS 255.A O no hydrogen 2.845 N/A