Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rm6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 21.A O no hydrogen 2.787 N/A LYS 6.A NZ TYR 18.A OH no hydrogen 3.422 N/A VAL 7.A N LYS 19.A O no hydrogen 2.754 N/A GLU 8.A N LYS 19.A O no hydrogen 3.275 N/A ILE 10.A N VAL 17.A O no hydrogen 2.800 N/A GLY 11.A N VAL 17.A O no hydrogen 3.315 N/A VAL 17.A N GLY 11.A O no hydrogen 3.037 N/A TYR 18.A N LEU 31.A O no hydrogen 2.825 N/A LYS 19.A N GLU 8.A O no hydrogen 2.737 N/A ALA 20.A N VAL 29.A O no hydrogen 2.890 N/A ARG 21.A N GLN 5.A O no hydrogen 2.798 N/A ARG 21.A NH1 GLY 26.A O no hydrogen 2.830 N/A ASN 22.A N GLU 27.A O no hydrogen 2.813 N/A LYS 23.A N ASN 3.A O no hydrogen 2.891 N/A LYS 23.A NZ GLU 2.A O no hydrogen 2.788 N/A THR 25.A N ASN 22.A OD1 no hydrogen 3.088 N/A THR 25.A OG1 GLU 27.A OE2 no hydrogen 3.235 N/A GLY 26.A N ASN 22.A O no hydrogen 2.556 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.248 N/A VAL 29.A N ALA 20.A O no hydrogen 2.835 N/A ALA 30.A N PHE 75.A O no hydrogen 2.971 N/A LEU 31.A N TYR 18.A O no hydrogen 2.783 N/A LYS 32.A N LEU 73.A O no hydrogen 2.903 N/A LYS 32.A NZ ASP 140.A OD1 no hydrogen 3.428 N/A LYS 33.A N VAL 16.A O no hydrogen 2.847 N/A ILE 34.A N LEU 71.A O no hydrogen 2.927 N/A GLU 46.A N THR 42.A O no hydrogen 3.316 N/A ILE 47.A N ALA 43.A O no hydrogen 2.697 N/A SER 48.A N ILE 44.A O no hydrogen 2.968 N/A SER 48.A OG ILE 44.A O no hydrogen 2.642 N/A LEU 49.A N ARG 45.A O no hydrogen 3.213 N/A LEU 49.A N GLU 46.A O no hydrogen 3.175 N/A LEU 50.A N ILE 47.A O no hydrogen 2.844 N/A LYS 51.A N SER 48.A O no hydrogen 3.364 N/A GLU 52.A N LEU 49.A O no hydrogen 3.069 N/A LEU 53.A N LEU 50.A O no hydrogen 3.098 N/A ASN 54.A N GLU 52.A O no hydrogen 3.068 N/A ASN 57.A N HIS 55.A ND1 no hydrogen 2.891 N/A ASN 57.A ND2 GLN 105.A OE1 no hydrogen 3.026 N/A ASN 57.A ND2 ILE 136.A O no hydrogen 2.975 N/A ILE 58.A N HIS 55.A O no hydrogen 3.088 N/A VAL 59.A N LEU 138.A O no hydrogen 2.897 N/A LYS 60.A N GLU 76.A OE2 no hydrogen 2.750 N/A LEU 62.A N VAL 74.A O no hydrogen 2.752 N/A ASP 63.A N VAL 74.A O no hydrogen 3.282 N/A ILE 65.A N TYR 72.A O no hydrogen 2.911 N/A ASN 69.A N HIS 66.A O no hydrogen 2.751 N/A TYR 72.A N ILE 65.A O no hydrogen 2.725 N/A LEU 73.A N LYS 32.A O no hydrogen 2.894 N/A VAL 74.A N ASP 63.A O no hydrogen 2.834 N/A PHE 75.A N ALA 30.A O no hydrogen 2.859 N/A GLU 76.A N LYS 60.A O no hydrogen 2.976 N/A LEU 82.A N LEU 128.A O no hydrogen 2.788 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 2.839 N/A LYS 84.A NZ ASP 81.A OD2 no hydrogen 2.677 N/A PHE 85.A N ASP 81.A O no hydrogen 3.179 N/A MET 86.A N LEU 82.A O no hydrogen 2.787 N/A ASP 87.A N LYS 83.A O no hydrogen 3.086 N/A ALA 88.A N LYS 84.A O no hydrogen 2.944 N/A SER 89.A N PHE 85.A O no hydrogen 2.988 N/A SER 89.A N MET 86.A O no hydrogen 3.204 N/A SER 89.A OG PHE 85.A O no hydrogen 2.904 N/A ALA 90.A N ASP 87.A O no hydrogen 3.209 N/A GLY 93.A N SER 89.A O no hydrogen 2.571 N/A LEU 98.A N PRO 95.A O no hydrogen 2.945 N/A ILE 99.A N PRO 95.A O no hydrogen 3.023 N/A LYS 100.A N LEU 96.A O no hydrogen 2.858 N/A LYS 100.A NZ PHE 280.A O no hydrogen 2.931 N/A LYS 100.A NZ ASP 283.A OD1 no hydrogen 2.790 N/A SER 101.A N PRO 97.A O no hydrogen 3.026 N/A TYR 102.A N LEU 98.A O no hydrogen 2.916 N/A LEU 103.A N ILE 99.A O no hydrogen 2.918 N/A PHE 104.A N LYS 100.A O no hydrogen 2.950 N/A GLN 105.A N SER 101.A O no hydrogen 2.939 N/A GLN 105.A NE2 SER 101.A O no hydrogen 3.562 N/A GLN 105.A NE2 SER 101.A OG no hydrogen 3.057 N/A GLN 105.A NE2 GLY 134.A O no hydrogen 2.923 N/A LEU 106.A N TYR 102.A O no hydrogen 2.894 N/A LEU 107.A N LEU 103.A O no hydrogen 2.929 N/A GLN 108.A N PHE 104.A O no hydrogen 3.042 N/A GLY 109.A N GLN 105.A O no hydrogen 3.009 N/A LEU 110.A N LEU 106.A O no hydrogen 2.890 N/A ALA 111.A N LEU 107.A O no hydrogen 2.826 N/A PHE 112.A N GLN 108.A O no hydrogen 3.067 N/A CYS 113.A N GLY 109.A O no hydrogen 3.010 N/A CYS 113.A SG GLY 109.A O no hydrogen 3.521 N/A HIS 114.A N LEU 110.A O no hydrogen 2.816 N/A HIS 114.A NE2 ASP 180.A OD2 no hydrogen 2.952 N/A SER 115.A N ALA 111.A O no hydrogen 3.066 N/A SER 115.A OG ALA 111.A O no hydrogen 3.309 N/A SER 115.A OG PHE 112.A O no hydrogen 2.731 N/A SER 115.A OG HIS 116.A ND1 no hydrogen 3.236 N/A HIS 116.A N PHE 112.A O no hydrogen 3.254 N/A HIS 116.A N CYS 113.A O no hydrogen 2.967 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 3.130 N/A ARG 117.A N HIS 114.A O no hydrogen 3.164 N/A VAL 118.A N CYS 113.A O no hydrogen 2.914 N/A HIS 120.A N ASP 180.A OD2 no hydrogen 2.876 N/A ARG 121.A N ASP 180.A OD1 no hydrogen 2.860 N/A ARG 121.A NH2 PHE 141.A O no hydrogen 3.188 N/A LYS 124.A NZ ASP 122.A OD2 no hydrogen 3.311 N/A ASN 127.A N LYS 124.A O no hydrogen 2.871 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.844 N/A LEU 128.A N PRO 125.A O no hydrogen 3.112 N/A LEU 129.A N LYS 137.A O no hydrogen 2.934 N/A ILE 130.A N GLN 80.A O no hydrogen 2.918 N/A ASN 131.A N ALA 135.A O no hydrogen 3.271 N/A GLU 133.A N ASN 131.A OD1 no hydrogen 2.991 N/A GLY 134.A N ASN 131.A O no hydrogen 3.482 N/A ALA 135.A N ASN 131.A OD1 no hydrogen 3.071 N/A ILE 136.A N GLN 105.A OE1 no hydrogen 3.218 N/A LYS 137.A N LEU 129.A O no hydrogen 2.809 N/A LYS 137.A NZ GLU 76.A OE1 no hydrogen 3.097 N/A LYS 137.A NZ GLU 76.A OE2 no hydrogen 3.484 N/A LEU 138.A N ASN 57.A O no hydrogen 2.850 N/A ALA 139.A N ASN 127.A O no hydrogen 2.942 N/A PHE 141.A N ALA 139.A O no hydrogen 2.822 N/A GLY 142.A N ASP 140.A OD2 no hydrogen 2.896 N/A LEU 143.A N ASP 140.A O no hydrogen 3.218 N/A ALA 144.A N PHE 141.A O no hydrogen 3.070 N/A ALA 146.A N LEU 143.A O no hydrogen 2.887 N/A THR 155.A OG1 GLU 12.A OE1 no hydrogen 3.325 N/A THR 155.A OG1 GLU 12.A OE2 no hydrogen 3.402 N/A HIS 156.A N THR 153.A O no hydrogen 3.024 N/A TRP 162.A NE1 GLY 200.A O no hydrogen 2.957 N/A TYR 163.A OH GLU 190.A OE1 no hydrogen 2.610 N/A ARG 164.A N LEU 161.A O no hydrogen 3.099 N/A ARG 164.A NH1.A ASP 122.A OD1 no hydrogen 2.899 N/A ARG 164.A NH2.A ASP 122.A OD1 no hydrogen 3.537 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.752 N/A ILE 168.A N ALA 165.A O no hydrogen 3.093 N/A LEU 169.A N ALA 165.A O no hydrogen 3.309 N/A LEU 170.A N PRO 166.A O no hydrogen 2.888 N/A GLY 171.A N ILE 168.A O no hydrogen 3.091 N/A CYS 172.A N GLU 167.A O no hydrogen 2.950 N/A CYS 172.A SG.A TYR 174.A O no hydrogen 3.542 N/A ALA 178.A N SER 176.A OG no hydrogen 3.188 N/A VAL 179.A N SER 176.A O no hydrogen 3.021 N/A ASP 180.A N THR 177.A O no hydrogen 3.106 N/A TRP 182.A N ALA 178.A O no hydrogen 3.100 N/A SER 183.A N VAL 179.A O no hydrogen 3.224 N/A SER 183.A OG TYR 163.A O no hydrogen 2.718 N/A SER 183.A OG VAL 179.A O no hydrogen 3.214 N/A LEU 184.A N ASP 180.A O no hydrogen 3.015 N/A GLY 185.A N ILE 181.A O no hydrogen 2.900 N/A CYS 186.A N TRP 182.A O no hydrogen 3.039 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.550 N/A ILE 187.A N SER 183.A O no hydrogen 3.017 N/A PHE 188.A N LEU 184.A O no hydrogen 2.872 N/A ALA 189.A N GLY 185.A O no hydrogen 3.034 N/A GLU 190.A N CYS 186.A O no hydrogen 3.097 N/A MET 191.A N ILE 187.A O no hydrogen 2.952 N/A VAL 192.A N PHE 188.A O no hydrogen 3.149 N/A THR 193.A N ALA 189.A O no hydrogen 2.984 N/A THR 193.A OG1 ALA 189.A O no hydrogen 3.136 N/A ARG 194.A N GLU 190.A O no hydrogen 2.869 N/A ARG 194.A NE ALA 90.A O no hydrogen 3.451 N/A ARG 194.A NH2 ALA 90.A O no hydrogen 3.308 N/A ARG 195.A N THR 193.A OG1 no hydrogen 3.310 N/A GLY 200.A N PHE 198.A O no hydrogen 2.964 N/A GLY 200.A N GLN 206.A OE1 no hydrogen 2.884 N/A ASP 201.A N ASP 205.A OD2 no hydrogen 2.987 N/A ASP 205.A N SER 202.A OG no hydrogen 2.936 N/A GLN 206.A N SER 202.A O no hydrogen 2.830 N/A GLN 206.A NE2 TRP 162.A O no hydrogen 3.297 N/A GLN 206.A NE2 PHE 198.A O no hydrogen 2.937 N/A LEU 207.A N GLU 203.A O no hydrogen 3.085 N/A PHE 208.A N ILE 204.A O no hydrogen 2.859 N/A ARG 209.A N ASP 205.A O no hydrogen 2.863 N/A ARG 209.A NE ASP 205.A OD2 no hydrogen 3.011 N/A ILE 210.A N GLN 206.A O no hydrogen 3.141 N/A PHE 211.A N LEU 207.A O no hydrogen 2.995 N/A ARG 212.A N PHE 208.A O no hydrogen 2.882 N/A THR 213.A N ARG 209.A O no hydrogen 3.347 N/A THR 213.A N ILE 210.A O no hydrogen 3.118 N/A LEU 214.A N ILE 210.A O no hydrogen 2.848 N/A GLY 215.A N PHE 211.A O no hydrogen 2.752 N/A THR 216.A N TRP 238.A O no hydrogen 2.984 N/A THR 216.A OG1 PRO 236.A O no hydrogen 2.756 N/A VAL 221.A N ASP 218.A OD1 no hydrogen 3.064 N/A TRP 222.A N ASP 218.A O no hydrogen 2.851 N/A GLY 224.A N GLU 219.A OE1 no hydrogen 2.713 N/A VAL 225.A N TRP 222.A O no hydrogen 2.979 N/A THR 226.A N GLU 219.A OE2 no hydrogen 3.108 N/A THR 226.A OG1 GLU 219.A OE2 no hydrogen 2.618 N/A SER 227.A N GLY 224.A O no hydrogen 3.064 N/A MET 228.A N VAL 225.A O no hydrogen 3.153 N/A ASP 230.A N LEU 170.A O no hydrogen 2.898 N/A TYR 231.A N MET 228.A O no hydrogen 3.096 N/A PHE 235.A N LYS 232.A O no hydrogen 2.929 N/A TRP 238.A N THR 216.A OG1 no hydrogen 2.958 N/A ARG 240.A NH1 LEU 214.A O no hydrogen 3.104 N/A GLN 241.A N THR 213.A O no hydrogen 2.879 N/A SER 244.A N ASP 242.A OD1 no hydrogen 2.556 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.621 N/A LYS 245.A N ASP 242.A O no hydrogen 2.890 N/A LYS 245.A NZ GLN 241.A OE1 no hydrogen 2.682 N/A VAL 246.A N ASP 242.A O no hydrogen 3.289 N/A VAL 247.A N PHE 243.A O no hydrogen 3.036 N/A LEU 250.A N VAL 247.A O no hydrogen 2.936 N/A GLY 254.A N ASP 251.A OD1 no hydrogen 2.955 N/A ARG 255.A N ASP 251.A O no hydrogen 2.890 N/A ARG 255.A NE GLU 252.A OE1 no hydrogen 3.218 N/A ARG 255.A NH2 GLU 252.A OE1 no hydrogen 2.975 N/A SER 256.A N GLU 252.A O no hydrogen 2.903 N/A SER 256.A OG HIS 278.A NE2 no hydrogen 3.202 N/A LEU 257.A N ASP 253.A O no hydrogen 3.096 N/A LEU 258.A N GLY 254.A O no hydrogen 2.959 N/A SER 259.A N ARG 255.A O no hydrogen 2.906 N/A SER 259.A OG ARG 255.A O no hydrogen 3.520 N/A SER 259.A OG SER 256.A O no hydrogen 2.670 N/A GLN 260.A N SER 256.A O no hydrogen 3.168 N/A MET 261.A N LEU 257.A O no hydrogen 2.986 N/A LEU 262.A N LEU 258.A O no hydrogen 2.946 N/A LEU 262.A N SER 259.A O no hydrogen 3.311 N/A TYR 264.A OH GLY 215.A O no hydrogen 2.612 N/A ASN 267.A N ASP 265.A OD1 no hydrogen 2.904 N/A LYS 268.A N ASP 265.A O no hydrogen 2.837 N/A LYS 268.A NZ VAL 221.A O no hydrogen 2.992 N/A LYS 268.A NZ ASP 265.A OD2 no hydrogen 2.978 N/A ARG 269.A N ASP 265.A O no hydrogen 3.082 N/A ARG 269.A NE HIS 263.A O no hydrogen 2.886 N/A ARG 269.A NH1 GLU 167.A OE1 no hydrogen 3.425 N/A ARG 269.A NH1 GLU 167.A OE2 no hydrogen 2.848 N/A ARG 269.A NH1 ALA 178.A O no hydrogen 3.009 N/A ARG 269.A NH2 GLU 167.A OE1 no hydrogen 2.916 N/A ARG 269.A NH2 HIS 263.A O no hydrogen 3.166 N/A ARG 269.A NH2 TYR 264.A O no hydrogen 2.926 N/A ILE 270.A N GLN 260.A O no hydrogen 3.097 N/A ALA 274.A N SER 271.A OG no hydrogen 3.053 N/A ALA 275.A N SER 271.A O no hydrogen 2.942 N/A LEU 276.A N ALA 272.A O no hydrogen 3.179 N/A ALA 277.A N ALA 274.A O no hydrogen 3.131 N/A HIS 278.A N ALA 275.A O no hydrogen 3.059 N/A HIS 278.A NE2 SER 256.A OG no hydrogen 3.202 N/A PHE 280.A N HIS 278.A ND1 no hydrogen 2.964 N/A PHE 281.A N HIS 278.A O no hydrogen 2.971 N/A GLN 282.A N PRO 279.A O no hydrogen 3.047 N/A VAL 284.A N PHE 281.A O no hydrogen 3.216 N/A