Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bbq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 3.A OE1 no hydrogen 2.774 N/A GLN 3.A NE2 ARG 35.A O no hydrogen 3.144 N/A TYR 4.A OH VAL 170.A O no hydrogen 2.744 N/A LEU 5.A N MET 1.A O no hydrogen 3.115 N/A GLU 6.A N LYS 2.A O no hydrogen 3.041 N/A LEU 7.A N GLN 3.A O no hydrogen 2.939 N/A MET 8.A N TYR 4.A O no hydrogen 2.955 N/A GLN 9.A N LEU 5.A O no hydrogen 3.148 N/A GLN 9.A NE2 GLN 9.A O no hydrogen 3.665 N/A GLN 9.A NE2 ASP 13.A OD1 no hydrogen 3.044 N/A LYS 10.A N GLU 6.A O no hydrogen 3.053 N/A VAL 11.A N LEU 7.A O no hydrogen 3.067 N/A LEU 12.A N MET 8.A O no hydrogen 3.268 N/A ASP 13.A N GLN 9.A O no hydrogen 2.886 N/A GLU 14.A N LYS 10.A O no hydrogen 2.782 N/A THR 16.A N SER 28.A O no hydrogen 3.085 N/A LYS 18.A N THR 26.A O no hydrogen 3.131 N/A LYS 18.A NZ ASP 205.A OD2 no hydrogen 3.141 N/A THR 22.A N ASP 20.A OD2 no hydrogen 3.341 N/A THR 22.A OG1 ASP 20.A OD2 no hydrogen 2.742 N/A THR 22.A OG1 THR 24.A OG1 no hydrogen 2.744 N/A GLY 23.A N ASP 20.A O no hydrogen 2.884 N/A THR 24.A N THR 22.A OG1 no hydrogen 3.360 N/A THR 24.A OG1 THR 22.A OG1 no hydrogen 2.744 N/A GLY 25.A N ASP 20.A OD1 no hydrogen 2.876 N/A THR 26.A N LYS 18.A O no hydrogen 2.899 N/A THR 26.A OG1 LYS 18.A O no hydrogen 3.568 N/A LEU 27.A N LEU 208.A O no hydrogen 2.851 N/A SER 28.A N THR 16.A O no hydrogen 2.829 N/A ILE 29.A N THR 206.A O no hydrogen 2.924 N/A GLY 31.A N GLY 204.A O no hydrogen 3.032 N/A GLN 33.A NE2 GLN 162.A OE1 no hydrogen 2.970 N/A GLN 33.A NE2 THR 202.A OG1 no hydrogen 3.310 N/A MET 34.A N TRP 201.A O no hydrogen 3.054 N/A ARG 35.A NH1 ASP 198.A OD2 no hydrogen 2.913 N/A PHE 36.A N PHE 199.A O no hydrogen 2.938 N/A LEU 38.A N GLY 197.A O no hydrogen 3.002 N/A ASP 40.A N ASN 37.A O no hydrogen 2.929 N/A PHE 42.A N PRO 228.A O no hydrogen 2.790 N/A LEU 44.A N PHE 42.A O no hydrogen 2.891 N/A LYS 48.A NZ PHE 171.A O no hydrogen 2.916 N/A CYS 50.A N TYR 252.A OH no hydrogen 2.927 N/A HIS 51.A ND1 SER 54.A OG no hydrogen 2.949 N/A SER 54.A N HIS 51.A O no hydrogen 3.197 N/A SER 54.A OG HIS 51.A ND1 no hydrogen 2.949 N/A ILE 56.A N LEU 52.A O no hydrogen 2.896 N/A HIS 57.A N ARG 53.A O no hydrogen 3.109 N/A HIS 57.A ND1 TYR 71.A OH no hydrogen 3.098 N/A GLU 58.A N SER 54.A O no hydrogen 3.063 N/A LEU 59.A N ILE 55.A O no hydrogen 3.366 N/A LEU 60.A N ILE 56.A O no hydrogen 3.080 N/A TRP 61.A N HIS 57.A O no hydrogen 3.007 N/A TRP 61.A NE1 ASN 68.A O no hydrogen 2.901 N/A PHE 62.A N GLU 58.A O no hydrogen 2.909 N/A LEU 63.A N LEU 59.A O no hydrogen 2.885 N/A GLN 64.A N LEU 60.A O no hydrogen 3.060 N/A GLN 64.A N TRP 61.A O no hydrogen 3.163 N/A GLY 65.A N PHE 62.A O no hydrogen 2.929 N/A ASP 66.A N TRP 61.A O no hydrogen 3.353 N/A ASN 68.A N ASP 66.A OD1 no hydrogen 3.157 N/A ASN 68.A ND2 ASN 87.A O no hydrogen 3.076 N/A ASN 68.A ND2 ASP 89.A OD1 no hydrogen 2.957 N/A ILE 69.A N GLY 88.A O no hydrogen 3.086 N/A ALA 70.A N ASN 68.A OD1 no hydrogen 3.060 N/A TYR 71.A OH HIS 57.A ND1 no hydrogen 3.098 N/A HIS 73.A N ILE 69.A O no hydrogen 2.874 N/A GLU 74.A N ALA 70.A O no hydrogen 2.873 N/A ASN 75.A N TYR 71.A O no hydrogen 3.117 N/A ASN 76.A N HIS 73.A O no hydrogen 2.988 N/A VAL 77.A N LEU 72.A O no hydrogen 2.862 N/A TRP 80.A NE1 GLU 58.A OE2 no hydrogen 2.836 N/A ASP 81.A N THR 78.A O no hydrogen 3.161 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 3.004 N/A ALA 84.A N ASP 81.A O no hydrogen 3.445 N/A ASP 85.A N ASP 89.A O no hydrogen 2.920 N/A ASN 87.A N ASP 85.A OD1 no hydrogen 2.879 N/A GLY 88.A N ASP 85.A O no hydrogen 2.770 N/A ASP 89.A N ASP 85.A OD1 no hydrogen 3.110 N/A LEU 90.A N THR 67.A O no hydrogen 3.104 N/A VAL 93.A N GLY 91.A O no hydrogen 2.803 N/A LYS 96.A N VAL 93.A O no hydrogen 3.144 N/A LYS 96.A NZ GLU 137.A OE1 no hydrogen 3.171 N/A LYS 96.A NZ GLU 137.A OE2 no hydrogen 3.138 N/A GLN 97.A N VAL 93.A O no hydrogen 3.416 N/A GLN 97.A NE2 ASN 134.A OD1 no hydrogen 2.732 N/A TRP 98.A N TYR 94.A O no hydrogen 2.882 N/A ARG 99.A N GLY 95.A O no hydrogen 3.118 N/A ARG 99.A NE ASP 110.A OD1 no hydrogen 3.052 N/A ARG 99.A NH1 LEU 63.A O no hydrogen 2.850 N/A ARG 99.A NH2 ASP 110.A OD2 no hydrogen 2.855 N/A ALA 100.A N LYS 96.A O no hydrogen 2.685 N/A TRP 101.A N ILE 109.A O no hydrogen 3.039 N/A THR 103.A N ARG 107.A O no hydrogen 2.951 N/A THR 103.A OG1 ASP 105.A OD1 no hydrogen 2.944 N/A THR 103.A OG1 ARG 107.A O no hydrogen 3.291 N/A ARG 107.A N THR 103.A OG1 no hydrogen 3.043 N/A ARG 107.A NE ASP 105.A OD1 no hydrogen 3.452 N/A ILE 109.A N TRP 101.A O no hydrogen 2.887 N/A GLN 111.A N TRP 98.A O no hydrogen 2.669 N/A GLN 111.A NE2 GLN 97.A O no hydrogen 2.810 N/A GLN 111.A NE2 SER 131.A O no hydrogen 3.051 N/A THR 113.A N ASP 110.A OD1 no hydrogen 3.357 N/A THR 113.A OG1 ASP 110.A OD2 no hydrogen 2.775 N/A THR 114.A N ASP 110.A O no hydrogen 3.391 N/A THR 114.A OG1 ASP 110.A O no hydrogen 2.924 N/A VAL 115.A N GLN 111.A O no hydrogen 2.964 N/A LEU 116.A N ILE 112.A O no hydrogen 2.992 N/A ASN 117.A N THR 113.A O no hydrogen 2.962 N/A GLN 118.A N THR 114.A O no hydrogen 2.906 N/A GLN 118.A NE2 THR 114.A O no hydrogen 3.678 N/A LEU 119.A N VAL 115.A O no hydrogen 2.852 N/A LYS 120.A N LEU 116.A O no hydrogen 3.243 N/A LYS 120.A NZ ASN 121.A OD1 no hydrogen 3.335 N/A ASN 121.A N ASN 117.A O no hydrogen 3.021 N/A ASP 122.A N GLN 118.A O no hydrogen 2.765 N/A SER 125.A N ASP 122.A O no hydrogen 2.979 N/A ARG 127.A N SER 125.A OG no hydrogen 2.972 N/A VAL 130.A N PHE 150.A O no hydrogen 3.196 N/A SER 131.A N GLN 111.A OE1 no hydrogen 2.962 N/A ALA 132.A N ALA 148.A O no hydrogen 3.015 N/A TRP 133.A N SER 131.A OG no hydrogen 3.106 N/A ASN 134.A N ALA 132.A O no hydrogen 2.970 N/A GLU 137.A N ASN 134.A O no hydrogen 3.033 N/A LEU 138.A N VAL 135.A O no hydrogen 3.437 N/A LYS 140.A N GLU 137.A O no hydrogen 2.880 N/A LYS 140.A NZ GLU 137.A OE2 no hydrogen 3.219 N/A MET 141.A N LEU 138.A O no hydrogen 2.988 N/A ALA 142.A N LEU 90.A O no hydrogen 2.818 N/A CYS 146.A N TYR 94.A OH no hydrogen 3.113 N/A CYS 146.A SG ALA 144.A O no hydrogen 4.038 N/A HIS 147.A ND1 TYR 181.A OH no hydrogen 2.699 N/A ALA 148.A N TYR 164.A O no hydrogen 3.190 N/A PHE 150.A N VAL 130.A O no hydrogen 3.096 N/A GLN 151.A N GLN 162.A O no hydrogen 2.971 N/A PHE 152.A N ILE 128.A O no hydrogen 2.873 N/A TYR 153.A N SER 160.A O no hydrogen 3.117 N/A ALA 155.A N LYS 158.A O no hydrogen 3.171 N/A GLY 157.A N ALA 155.A O no hydrogen 2.828 N/A LEU 159.A N GLU 195.A O no hydrogen 2.804 N/A SER 160.A N TYR 153.A O no hydrogen 2.905 N/A CYS 161.A N ASP 198.A O no hydrogen 3.013 N/A CYS 161.A SG GLN 151.A O no hydrogen 3.963 N/A GLN 162.A N GLN 151.A O no hydrogen 3.015 N/A LEU 163.A N VAL 200.A O no hydrogen 2.966 N/A TYR 164.A N PHE 149.A O no hydrogen 2.913 N/A GLN 165.A N THR 202.A O no hydrogen 2.863 N/A GLN 165.A NE2 SER 167.A O no hydrogen 2.986 N/A GLN 165.A NE2 ASN 177.A OD1 no hydrogen 3.201 N/A ARG 166.A N CYS 146.A O no hydrogen 2.904 N/A ARG 166.A NE PRO 145.A O no hydrogen 2.955 N/A ARG 166.A NH2 ALA 144.A O no hydrogen 3.057 N/A CYS 168.A N ASP 205.A O no hydrogen 2.815 N/A VAL 170.A N HIS 207.A O no hydrogen 2.969 N/A LEU 172.A N ASP 169.A OD1 no hydrogen 3.098 N/A GLY 173.A N ASP 169.A O no hydrogen 2.999 N/A LEU 174.A N ASP 169.A O no hydrogen 2.975 N/A PHE 176.A N GLY 173.A O no hydrogen 2.904 N/A ASN 177.A N GLY 173.A O no hydrogen 3.044 N/A ILE 178.A N LEU 174.A O no hydrogen 3.051 N/A ALA 179.A N PRO 175.A O no hydrogen 3.389 N/A SER 180.A N PHE 176.A O no hydrogen 3.026 N/A TYR 181.A N ASN 177.A O no hydrogen 3.426 N/A TYR 181.A OH HIS 147.A ND1 no hydrogen 2.699 N/A ALA 182.A N ILE 178.A O no hydrogen 3.258 N/A LEU 183.A N ALA 179.A O no hydrogen 3.173 N/A LEU 184.A N SER 180.A O no hydrogen 3.090 N/A VAL 185.A N TYR 181.A O no hydrogen 2.939 N/A HIS 186.A N ALA 182.A O no hydrogen 3.176 N/A HIS 186.A ND1 ALA 182.A O no hydrogen 3.096 N/A MET 187.A N LEU 183.A O no hydrogen 3.023 N/A MET 188.A N LEU 184.A O no hydrogen 2.859 N/A ALA 189.A N VAL 185.A O no hydrogen 2.908 N/A GLN 190.A N HIS 186.A O no hydrogen 3.005 N/A GLN 190.A NE2 ARG 234.A O no hydrogen 3.471 N/A GLN 191.A N MET 187.A O no hydrogen 3.179 N/A GLN 191.A NE2 PRO 236.A O no hydrogen 2.976 N/A CYS 192.A N MET 188.A O no hydrogen 2.972 N/A CYS 192.A SG MET 188.A O no hydrogen 3.598 N/A LEU 194.A N ALA 189.A O no hydrogen 3.112 N/A GLU 195.A N GLY 157.A O no hydrogen 2.982 N/A GLY 197.A N LEU 159.A O no hydrogen 2.764 N/A ASP 198.A N SER 160.A OG no hydrogen 3.055 N/A PHE 199.A N PHE 36.A O no hydrogen 2.979 N/A VAL 200.A N CYS 161.A O no hydrogen 2.784 N/A TRP 201.A N MET 34.A O no hydrogen 2.835 N/A TRP 201.A NE1 GLN 165.A OE1 no hydrogen 2.974 N/A THR 202.A N LEU 163.A O no hydrogen 2.873 N/A THR 202.A OG1 GLN 162.A OE1 no hydrogen 2.761 N/A GLY 203.A N HIS 32.A O no hydrogen 3.000 N/A GLY 204.A N GLN 165.A O no hydrogen 2.720 N/A ASP 205.A N ARG 166.A O no hydrogen 3.046 N/A THR 206.A N ILE 29.A O no hydrogen 2.919 N/A THR 206.A OG1 GLY 204.A O no hydrogen 3.432 N/A HIS 207.A N CYS 168.A O no hydrogen 3.024 N/A HIS 207.A ND1 ASP 205.A O no hydrogen 3.108 N/A HIS 207.A ND1 ASP 205.A OD1 no hydrogen 3.105 N/A LEU 208.A N LEU 27.A O no hydrogen 2.948 N/A SER 210.A N GLY 25.A O no hydrogen 2.872 N/A SER 210.A OG THR 24.A O no hydrogen 2.821 N/A SER 210.A OG GLY 25.A O no hydrogen 2.996 N/A HIS 212.A N TYR 209.A O no hydrogen 2.873 N/A HIS 212.A NE2 PRO 261.A O no hydrogen 2.761 N/A GLN 215.A NE2 ASN 211.A O no hydrogen 3.661 N/A THR 216.A N HIS 212.A O no hydrogen 3.215 N/A THR 216.A OG1 HIS 212.A O no hydrogen 2.814 N/A HIS 217.A N MET 213.A O no hydrogen 3.100 N/A LEU 218.A N ASP 214.A O no hydrogen 2.948 N/A GLN 219.A N GLN 215.A O no hydrogen 2.957 N/A GLN 219.A NE2 THR 47.A OG1 no hydrogen 2.946 N/A LEU 220.A N THR 216.A O no hydrogen 2.971 N/A SER 221.A N LEU 218.A O no hydrogen 3.045 N/A SER 221.A OG LEU 218.A O no hydrogen 2.661 N/A ARG 222.A N GLN 219.A O no hydrogen 3.051 N/A ARG 222.A NE THR 47.A O no hydrogen 2.953 N/A ARG 222.A NH2 THR 47.A O no hydrogen 2.785 N/A ARG 225.A N THR 46.A OG1 no hydrogen 3.108 N/A ARG 225.A NE ASP 253.A O no hydrogen 3.213 N/A LYS 229.A N GLU 250.A O no hydrogen 3.053 N/A LYS 229.A NZ LEU 227.A O no hydrogen 2.847 N/A ILE 231.A N GLU 248.A O no hydrogen 2.731 N/A LYS 233.A N ASP 246.A O no hydrogen 2.792 N/A ARG 234.A NH1 ASP 241.A O no hydrogen 3.341 N/A ARG 234.A NH1 ASP 246.A OD1 no hydrogen 3.449 N/A ARG 234.A NH1 ASP 246.A OD2 no hydrogen 2.867 N/A SER 238.A OG ASP 241.A OD2 no hydrogen 2.958 N/A PHE 240.A N SER 238.A OG no hydrogen 3.273 N/A ASP 241.A N SER 238.A O no hydrogen 3.205 N/A ARG 243.A N ASP 246.A OD2 no hydrogen 3.112 N/A ARG 243.A NH2 ASP 246.A OD1 no hydrogen 3.441 N/A ASP 246.A N ARG 243.A O no hydrogen 3.074 N/A PHE 247.A N PHE 244.A O no hydrogen 3.350 N/A GLU 248.A N ILE 231.A O no hydrogen 2.843 N/A GLU 250.A N LYS 229.A O no hydrogen 3.007 N/A TYR 252.A OH VAL 45.A O no hydrogen 2.731 N/A HIS 255.A N THR 46.A O no hydrogen 2.904 N/A HIS 255.A NE2 GLU 223.A O no hydrogen 2.701 N/A