Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cf8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 75.A O no hydrogen 3.131 N/A GLU 4.A N TYR 27.A OH no hydrogen 2.902 N/A ARG 6.A NE GLU 4.A OE1 no hydrogen 2.963 N/A HIS 7.A N GLU 4.A O no hydrogen 2.976 N/A LEU 8.A N GLU 5.A O no hydrogen 2.999 N/A LYS 9.A N ARG 26.A O no hydrogen 2.814 N/A LYS 9.A NZ ASP 28.A OD2 no hydrogen 2.771 N/A LEU 11.A N MET 24.A O no hydrogen 2.823 N/A GLN 12.A N MET 24.A O no hydrogen 3.172 N/A GLN 12.A NE2 GLN 13.A O no hydrogen 3.498 N/A GLN 13.A NE2 SER 21.A OG no hydrogen 2.891 N/A LEU 14.A N VAL 22.A O no hydrogen 2.801 N/A GLY 15.A N VAL 22.A O no hydrogen 3.187 N/A GLY 17.A N GLY 20.A O no hydrogen 2.991 N/A GLY 20.A N GLY 17.A O no hydrogen 2.918 N/A SER 21.A N LYS 42.A O no hydrogen 2.938 N/A VAL 22.A N GLY 15.A O no hydrogen 2.833 N/A GLU 23.A N VAL 40.A O no hydrogen 2.857 N/A MET 24.A N GLN 12.A O no hydrogen 2.735 N/A CYS 25.A N VAL 38.A O no hydrogen 3.002 N/A ARG 26.A N LYS 9.A O no hydrogen 2.851 N/A ARG 26.A NE GLY 35.A O no hydrogen 2.799 N/A ARG 26.A NH2 GLY 35.A O no hydrogen 3.100 N/A TYR 27.A N GLU 36.A O no hydrogen 2.926 N/A ASP 28.A N HIS 7.A O no hydrogen 2.843 N/A GLN 31.A N ASP 28.A O no hydrogen 2.983 N/A GLN 31.A NE2 HIS 7.A ND1 no hydrogen 3.158 N/A ASN 33.A N ASP 28.A OD2 no hydrogen 2.836 N/A THR 34.A N ASP 28.A OD1 no hydrogen 3.111 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.691 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 3.569 N/A GLY 35.A N ASP 28.A OD1 no hydrogen 3.001 N/A VAL 38.A N CYS 25.A O no hydrogen 2.778 N/A ALA 39.A N MET 83.A O no hydrogen 2.972 N/A VAL 40.A N GLU 23.A O no hydrogen 2.794 N/A LYS 41.A N LEU 81.A O no hydrogen 2.817 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 3.482 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.699 N/A LYS 41.A NZ ASP 148.A OD1 no hydrogen 2.742 N/A LYS 41.A NZ ASP 148.A OD2 no hydrogen 3.560 N/A LYS 42.A N SER 21.A O no hydrogen 2.920 N/A LYS 42.A NZ GLU 23.A OE2 no hydrogen 2.987 N/A GLN 44.A N PHE 19.A O no hydrogen 2.795 N/A HIS 50.A N THR 47.A OG1 no hydrogen 3.142 N/A LEU 51.A N THR 47.A O no hydrogen 2.892 N/A ARG 52.A N GLU 48.A O no hydrogen 2.954 N/A ASP 53.A N GLU 49.A O no hydrogen 3.102 N/A PHE 54.A N HIS 50.A O no hydrogen 2.826 N/A GLU 55.A N LEU 51.A O no hydrogen 2.890 N/A ARG 56.A N ARG 52.A O no hydrogen 3.120 N/A ARG 56.A NH2 ASP 53.A OD1 no hydrogen 2.794 N/A GLU 57.A N ASP 53.A O no hydrogen 2.968 N/A ILE 58.A N PHE 54.A O no hydrogen 2.923 N/A GLU 59.A N GLU 55.A O no hydrogen 3.147 N/A ILE 60.A N ARG 56.A O no hydrogen 2.883 N/A LEU 61.A N GLU 57.A O no hydrogen 2.922 N/A LYS 62.A N ILE 58.A O no hydrogen 2.948 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 3.055 N/A SER 63.A N GLU 59.A O no hydrogen 3.146 N/A SER 63.A N ILE 60.A O no hydrogen 3.097 N/A SER 63.A OG ILE 60.A O no hydrogen 2.599 N/A SER 63.A OG TYR 126.A OH no hydrogen 2.666 N/A LEU 64.A N LEU 61.A O no hydrogen 3.033 N/A GLN 65.A N TYR 120.A OH no hydrogen 2.921 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.892 N/A ASN 68.A ND2 VAL 144.A O no hydrogen 3.016 N/A ILE 69.A N HIS 66.A O no hydrogen 3.152 N/A VAL 70.A N ILE 146.A O no hydrogen 2.956 N/A LYS 71.A N GLU 84.A OE1 no hydrogen 2.891 N/A LYS 73.A N ILE 82.A O no hydrogen 2.854 N/A LYS 73.A NZ GLU 36.A OE1 no hydrogen 3.097 N/A LYS 73.A NZ GLU 36.A OE2 no hydrogen 3.476 N/A GLY 74.A N ILE 82.A O no hydrogen 3.167 N/A VAL 75.A N THR 1.A O no hydrogen 3.445 N/A CYS 76.A N LYS 80.A O no hydrogen 2.995 N/A CYS 76.A SG PHE 3.A O no hydrogen 3.541 N/A LYS 80.A N CYS 76.A O no hydrogen 2.923 N/A LYS 80.A NZ GLU 5.A OE1 no hydrogen 2.871 N/A LYS 80.A NZ GLU 5.A OE2 no hydrogen 3.236 N/A LEU 81.A N LYS 41.A O no hydrogen 2.859 N/A ILE 82.A N GLY 74.A O no hydrogen 2.791 N/A MET 83.A N ALA 39.A O no hydrogen 2.790 N/A GLU 84.A N LYS 71.A O no hydrogen 2.982 N/A TYR 88.A N VAL 138.A O no hydrogen 3.310 N/A GLY 89.A N LEU 86.A O no hydrogen 3.522 N/A LEU 91.A N ILE 136.A O no hydrogen 2.756 N/A ARG 92.A N THR 133.A O no hydrogen 3.363 N/A ASP 93.A N SER 90.A OG no hydrogen 3.085 N/A TYR 94.A N SER 90.A O no hydrogen 2.894 N/A LEU 95.A N LEU 91.A O no hydrogen 2.849 N/A GLN 96.A N ARG 92.A O no hydrogen 3.313 N/A LYS 97.A N ASP 93.A O no hydrogen 3.091 N/A HIS 98.A N TYR 94.A O no hydrogen 2.984 N/A HIS 98.A N LEU 95.A O no hydrogen 3.303 N/A HIS 98.A ND1 TYR 94.A O no hydrogen 3.039 N/A LYS 99.A NZ TYR 202.A O no hydrogen 3.288 N/A ARG 101.A N HIS 98.A O no hydrogen 2.997 N/A ILE 102.A N HIS 98.A O no hydrogen 3.131 N/A LYS 106.A N ASP 103.A OD1 no hydrogen 3.227 N/A LYS 106.A NZ GLN 109.A OE1 no hydrogen 2.930 N/A LYS 106.A NZ GLU 141.A O no hydrogen 3.231 N/A LEU 107.A N ASP 103.A O no hydrogen 3.057 N/A LEU 108.A N HIS 104.A O no hydrogen 2.948 N/A GLN 109.A N ILE 105.A O no hydrogen 2.983 N/A GLN 109.A NE2 ASN 142.A OD1 no hydrogen 3.256 N/A TYR 110.A N LYS 106.A O no hydrogen 3.069 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.701 N/A THR 111.A N LEU 107.A O no hydrogen 2.893 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.802 N/A SER 112.A N LEU 108.A O no hydrogen 2.880 N/A SER 112.A OG ASP 276.A OD1 no hydrogen 2.768 N/A GLN 113.A N GLN 109.A O no hydrogen 3.198 N/A GLN 113.A NE2 ASN 142.A O no hydrogen 2.859 N/A ILE 114.A N TYR 110.A O no hydrogen 3.009 N/A CYS 115.A N THR 111.A O no hydrogen 2.970 N/A CYS 115.A SG.A THR 111.A O no hydrogen 3.567 N/A CYS 115.A SG.B PHE 268.A O no hydrogen 2.687 N/A LYS 116.A N SER 112.A O no hydrogen 2.981 N/A LYS 116.A NZ SER 112.A OG no hydrogen 2.797 N/A LYS 116.A NZ ASP 276.A OD2 no hydrogen 2.976 N/A GLY 117.A N GLN 113.A O no hydrogen 2.959 N/A MET 118.A N ILE 114.A O no hydrogen 2.842 N/A GLU 119.A N CYS 115.A O no hydrogen 2.824 N/A TYR 120.A N LYS 116.A O no hydrogen 3.076 N/A LEU 121.A N GLY 117.A O no hydrogen 3.067 N/A GLY 122.A N MET 118.A O no hydrogen 3.002 N/A THR 123.A N GLU 119.A O no hydrogen 3.065 N/A THR 123.A N TYR 120.A O no hydrogen 3.094 N/A THR 123.A OG1 TYR 120.A O no hydrogen 2.637 N/A LYS 124.A N LEU 121.A O no hydrogen 2.984 N/A ARG 125.A N GLY 122.A O no hydrogen 3.042 N/A ARG 125.A NH1 GLU 160.A OE1 no hydrogen 2.882 N/A ARG 125.A NH2 PRO 156.A O no hydrogen 2.988 N/A ARG 125.A NH2 GLU 160.A OE1 no hydrogen 3.149 N/A TYR 126.A N LEU 121.A O no hydrogen 3.067 N/A TYR 126.A OH SER 63.A OG no hydrogen 2.666 N/A ILE 127.A N LYS 153.A O no hydrogen 2.807 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 2.774 N/A HIS 128.A NE2 ASP 148.A O no hydrogen 2.781 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.002 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 3.065 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.043 N/A THR 133.A N GLU 198.A OE2 no hydrogen 2.928 N/A THR 133.A OG1 GLU 198.A OE1 no hydrogen 2.809 N/A ARG 134.A NH1 ASP 130.A OD1 no hydrogen 3.109 N/A ASN 135.A N ALA 132.A O no hydrogen 2.956 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.733 N/A ILE 136.A N THR 133.A O no hydrogen 3.211 N/A LEU 137.A N LYS 145.A O no hydrogen 2.784 N/A VAL 138.A N GLY 89.A O no hydrogen 2.780 N/A GLU 139.A N ARG 143.A O no hydrogen 2.892 N/A ASN 140.A N ARG 143.A O no hydrogen 3.389 N/A ASN 142.A N ASN 140.A OD1 no hydrogen 2.846 N/A ARG 143.A N ASN 140.A O no hydrogen 3.124 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.807 N/A LYS 145.A N LEU 137.A O no hydrogen 2.825 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 2.725 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 3.526 N/A ILE 146.A N ASN 68.A O no hydrogen 2.812 N/A GLY 147.A N ASN 135.A O no hydrogen 2.841 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 2.946 N/A THR 152.A N PHE 149.A O no hydrogen 3.109 N/A THR 152.A OG1 HIS 128.A O no hydrogen 3.430 N/A THR 152.A OG1 PHE 149.A O no hydrogen 3.408 N/A LYS 153.A N ILE 127.A O no hydrogen 2.929 N/A LEU 155.A N ARG 125.A O no hydrogen 2.856 N/A LYS 159.A N PRO 156.A O no hydrogen 3.455 N/A VAL 162.A N SER 181.A O no hydrogen 3.124 N/A SER 168.A OG TYR 173.A OH no hydrogen 3.230 N/A ILE 170.A N SER 168.A O no hydrogen 2.751 N/A TRP 172.A N PRO 169.A O no hydrogen 3.034 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.939 N/A TYR 173.A N ILE 170.A O no hydrogen 3.198 N/A TYR 173.A OH SER 168.A OG no hydrogen 3.230 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.788 N/A SER 177.A N ALA 174.A O no hydrogen 3.028 N/A SER 177.A OG LYS 182.A O no hydrogen 2.862 N/A LEU 178.A N ALA 174.A O no hydrogen 3.128 N/A THR 179.A N PRO 175.A O no hydrogen 2.874 N/A THR 179.A OG1 PRO 175.A O no hydrogen 3.113 N/A GLU 180.A N GLU 176.A O no hydrogen 2.933 N/A SER 181.A N SER 177.A O no hydrogen 3.016 N/A LYS 182.A N GLU 176.A O no hydrogen 3.256 N/A SER 184.A N SER 187.A OG no hydrogen 2.774 N/A SER 187.A N SER 184.A OG no hydrogen 3.077 N/A SER 187.A OG SER 184.A O no hydrogen 2.958 N/A ASP 188.A N SER 184.A O no hydrogen 3.051 N/A VAL 189.A N VAL 185.A O no hydrogen 2.904 N/A TRP 190.A N ALA 186.A O no hydrogen 3.042 N/A SER 191.A N SER 187.A O no hydrogen 3.038 N/A SER 191.A OG TRP 172.A O no hydrogen 2.680 N/A SER 191.A OG SER 187.A O no hydrogen 3.305 N/A PHE 192.A N ASP 188.A O no hydrogen 2.776 N/A GLY 193.A N VAL 189.A O no hydrogen 2.988 N/A VAL 194.A N TRP 190.A O no hydrogen 3.288 N/A VAL 195.A N SER 191.A O no hydrogen 2.901 N/A LEU 196.A N PHE 192.A O no hydrogen 2.840 N/A TYR 197.A N GLY 193.A O no hydrogen 2.998 N/A TYR 197.A OH LYS 207.A O no hydrogen 2.655 N/A GLU 198.A N VAL 194.A O no hydrogen 2.788 N/A LEU 199.A N VAL 195.A O no hydrogen 2.914 N/A PHE 200.A N LEU 196.A O no hydrogen 3.115 N/A THR 201.A N TYR 197.A O no hydrogen 3.003 N/A THR 201.A N GLU 198.A O no hydrogen 3.158 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.685 N/A TYR 202.A N LEU 199.A O no hydrogen 3.015 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.660 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.214 N/A GLU 204.A N THR 201.A O no hydrogen 3.106 N/A LYS 207.A N GLU 204.A O no hydrogen 2.840 N/A SER 208.A N LYS 205.A O no hydrogen 3.308 N/A SER 208.A OG LYS 205.A O no hydrogen 3.465 N/A ALA 211.A N SER 208.A OG no hydrogen 3.206 N/A GLU 212.A N SER 208.A O no hydrogen 2.910 N/A PHE 213.A N PRO 209.A O no hydrogen 2.924 N/A MET 214.A N PRO 210.A O no hydrogen 2.890 N/A ARG 215.A N ALA 211.A O no hydrogen 3.123 N/A ARG 215.A NH2 GLU 212.A OE1 no hydrogen 3.244 N/A MET 216.A N GLU 212.A O no hydrogen 3.102 N/A ILE 217.A N PHE 213.A O no hydrogen 2.854 N/A GLY 218.A N MET 214.A O no hydrogen 2.799 N/A LYS 221.A N GLY 218.A O no hydrogen 3.179 N/A LYS 221.A NZ ILE 217.A O no hydrogen 3.362 N/A ILE 226.A N GLY 223.A O no hydrogen 3.191 N/A HIS 229.A N MET 225.A O no hydrogen 2.973 N/A HIS 229.A ND1 MET 225.A O no hydrogen 2.867 N/A LEU 230.A N ILE 226.A O no hydrogen 2.852 N/A ILE 231.A N VAL 227.A O no hydrogen 2.915 N/A GLU 232.A N PHE 228.A O no hydrogen 3.190 N/A LEU 233.A N HIS 229.A O no hydrogen 2.905 N/A LEU 234.A N LEU 230.A O no hydrogen 2.956 N/A LYS 235.A N ILE 231.A O no hydrogen 2.984 N/A ASN 236.A N GLU 232.A O no hydrogen 3.075 N/A ASN 237.A N LEU 234.A O no hydrogen 2.970 N/A GLY 238.A N LEU 233.A O no hydrogen 2.887 N/A ARG 239.A NE TRP 258.A O no hydrogen 3.000 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 2.979 N/A ARG 239.A NH1 GLY 238.A O no hydrogen 2.928 N/A ARG 239.A NH2 TRP 258.A O no hydrogen 2.847 N/A ARG 239.A NH2 ASN 260.A OD1 no hydrogen 2.912 N/A ARG 242.A NH1 CYS 246.A O no hydrogen 3.107 N/A CYS 246.A N PRO 243.A O no hydrogen 2.962 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.476 N/A ILE 250.A N PRO 247.A O no hydrogen 3.145 N/A TYR 251.A N PRO 247.A O no hydrogen 3.075 N/A TYR 251.A OH LEU 240.A O no hydrogen 2.689 N/A MET 252.A N ASP 248.A O no hydrogen 2.839 N/A MET 254.A N ILE 250.A O no hydrogen 3.314 N/A THR 255.A N TYR 251.A O no hydrogen 2.905 N/A THR 255.A OG1 TYR 251.A O no hydrogen 3.429 N/A THR 255.A OG1 MET 252.A O no hydrogen 2.997 N/A GLU 256.A N MET 252.A O no hydrogen 2.990 N/A CYS 257.A N ILE 253.A O no hydrogen 3.044 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.375 N/A TRP 258.A N MET 254.A O no hydrogen 3.038 N/A ASN 259.A ND2 GLN 264.A OE1 no hydrogen 3.555 N/A ASN 260.A ND2 LEU 234.A O no hydrogen 3.196 N/A ASN 260.A ND2 LYS 235.A O no hydrogen 3.647 N/A ASN 261.A N ASN 259.A OD1 no hydrogen 2.815 N/A ASN 261.A ND2 ASN 259.A OD1 no hydrogen 3.246 N/A ASN 261.A ND2 GLN 264.A OE1 no hydrogen 3.110 N/A GLN 264.A N ASN 261.A O no hydrogen 3.012 N/A ARG 265.A N VAL 262.A O no hydrogen 3.516 N/A ARG 265.A NE ASN 259.A O no hydrogen 2.797 N/A ARG 265.A NH1 GLU 176.A OE2 no hydrogen 2.826 N/A ARG 265.A NH1 ALA 186.A O no hydrogen 2.925 N/A ARG 265.A NH2 GLU 176.A OE1 no hydrogen 2.790 N/A ARG 265.A NH2 GLU 176.A OE2 no hydrogen 3.482 N/A ARG 265.A NH2 ASN 259.A O no hydrogen 3.059 N/A ASP 270.A N SER 267.A OG no hydrogen 2.997 N/A LEU 271.A N SER 267.A O no hydrogen 2.946 N/A ALA 272.A N PHE 268.A O no hydrogen 2.963 N/A LEU 273.A N ARG 269.A O no hydrogen 3.049 N/A ARG 274.A N ASP 270.A O no hydrogen 2.939 N/A VAL 275.A N LEU 271.A O no hydrogen 2.889 N/A ASP 276.A N ALA 272.A O no hydrogen 2.879 N/A GLN 277.A N LEU 273.A O no hydrogen 2.925 N/A ILE 278.A N ARG 274.A O no hydrogen 3.083 N/A ARG 279.A N VAL 275.A O no hydrogen 2.895 N/A ARG 279.A NH1 ASP 276.A OD1 no hydrogen 2.844 N/A ASP 280.A N ASP 276.A O no hydrogen 2.906 N/A ASN 281.A N GLN 277.A O no hydrogen 2.972 N/A ASN 281.A ND2 GLN 277.A O no hydrogen 3.450 N/A MET 282.A N ILE 278.A O no hydrogen 2.958 N/A ALA 283.A N ARG 279.A O no hydrogen 3.008 N/A GLY 284.A N ASN 281.A O no hydrogen 3.193 N/A