Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 5.A OE1 no hydrogen 2.942 N/A GLN 5.A N THR 2.A OG1 no hydrogen 3.280 N/A GLN 6.A N THR 2.A O no hydrogen 2.945 N/A THR 7.A N PRO 3.A O no hydrogen 2.895 N/A THR 7.A OG1 PRO 3.A O no hydrogen 3.066 N/A LEU 8.A N ASP 4.A O no hydrogen 3.021 N/A LEU 9.A N GLN 5.A O no hydrogen 2.915 N/A HIS 10.A N GLN 6.A O no hydrogen 2.767 N/A PHE 11.A N THR 7.A O no hydrogen 3.043 N/A ILE 12.A N LEU 8.A O no hydrogen 3.142 N/A MET 13.A N LEU 9.A O no hydrogen 2.851 N/A ASP 14.A N HIS 10.A O no hydrogen 3.024 N/A SER 15.A N PHE 11.A O no hydrogen 3.179 N/A SER 15.A OG PHE 11.A O no hydrogen 3.416 N/A SER 15.A OG ILE 12.A O no hydrogen 3.423 N/A TYR 16.A N ILE 12.A O no hydrogen 2.881 N/A TYR 16.A OH GLU 90.A OE1 no hydrogen 2.429 N/A ASN 17.A N MET 13.A O no hydrogen 2.859 N/A LYS 18.A N SER 15.A O no hydrogen 2.991 N/A GLN 19.A N TYR 16.A O no hydrogen 3.268 N/A GLN 23.A NE2 ASN 27.A OD1 no hydrogen 2.527 N/A ILE 25.A N PRO 22.A O no hydrogen 3.123 N/A THR 26.A N PRO 22.A O no hydrogen 3.096 N/A THR 26.A OG1 PRO 22.A O no hydrogen 3.557 N/A THR 26.A OG1 HIS 97.A NE2 no hydrogen 3.256 N/A ASN 27.A N GLN 23.A O no hydrogen 2.676 N/A LYS 28.A N GLU 24.A O no hydrogen 3.136 N/A LYS 28.A NZ GLU 45.A OE2 no hydrogen 2.894 N/A ILE 29.A N ILE 25.A O no hydrogen 2.998 N/A LEU 30.A N THR 26.A O no hydrogen 3.335 N/A LEU 30.A N ASN 27.A O no hydrogen 3.219 N/A LYS 31.A N ASN 27.A O no hydrogen 3.045 N/A GLU 32.A N LYS 28.A O no hydrogen 2.906 N/A GLU 33.A N GLU 32.A OE2 no hydrogen 2.598 N/A GLU 38.A N SER 35.A OG no hydrogen 3.130 N/A ASN 39.A N SER 35.A O no hydrogen 2.817 N/A ASN 39.A ND2 ASN 107.A O no hydrogen 2.705 N/A PHE 40.A N ALA 36.A O no hydrogen 2.923 N/A LEU 41.A N GLU 37.A O no hydrogen 3.063 N/A ILE 42.A N GLU 38.A O no hydrogen 2.835 N/A LEU 43.A N ASN 39.A O no hydrogen 2.972 N/A THR 44.A N PHE 40.A O no hydrogen 2.685 N/A THR 44.A OG1 PHE 40.A O no hydrogen 2.803 N/A GLU 45.A N LEU 41.A O no hydrogen 3.041 N/A GLU 45.A N ILE 42.A O no hydrogen 3.146 N/A MET 46.A N ILE 42.A O no hydrogen 3.030 N/A ALA 47.A N LEU 43.A O no hydrogen 2.899 N/A THR 48.A N THR 44.A O no hydrogen 2.927 N/A THR 48.A OG1 THR 44.A O no hydrogen 2.743 N/A THR 48.A OG1 THR 215.A OG1 no hydrogen 3.289 N/A ASN 49.A N GLU 45.A O no hydrogen 2.977 N/A HIS 50.A N MET 46.A O no hydrogen 2.898 N/A VAL 51.A N ALA 47.A O no hydrogen 2.877 N/A GLN 52.A N THR 48.A O no hydrogen 3.385 N/A VAL 53.A N ASN 49.A O no hydrogen 3.011 N/A LEU 54.A N HIS 50.A O no hydrogen 2.801 N/A VAL 55.A N VAL 51.A O no hydrogen 2.910 N/A GLU 56.A N GLN 52.A O no hydrogen 3.237 N/A PHE 57.A N VAL 53.A O no hydrogen 2.964 N/A THR 58.A N LEU 54.A O no hydrogen 2.764 N/A THR 58.A OG1 LEU 54.A O no hydrogen 2.678 N/A LYS 59.A N VAL 55.A O no hydrogen 2.944 N/A LYS 60.A N PHE 57.A O no hydrogen 3.121 N/A LEU 61.A N THR 58.A O no hydrogen 2.837 N/A PHE 64.A N LEU 61.A O no hydrogen 3.143 N/A THR 66.A N GLY 63.A O no hydrogen 3.199 N/A THR 66.A OG1 GLY 63.A O no hydrogen 3.330 N/A LEU 67.A N PHE 64.A O no hydrogen 2.855 N/A GLU 70.A N ASP 68.A O no hydrogen 2.239 N/A ASP 71.A N ASP 68.A O no hydrogen 2.577 N/A ASP 71.A N ASP 68.A OD2 no hydrogen 3.203 N/A GLN 72.A N ASP 68.A O no hydrogen 3.113 N/A GLN 72.A NE2 LEU 67.A O no hydrogen 2.675 N/A ALA 74.A N GLU 70.A O no hydrogen 3.039 N/A LEU 75.A N ASP 71.A O no hydrogen 3.165 N/A LEU 76.A N GLN 72.A O no hydrogen 3.177 N/A LYS 77.A N ILE 73.A O no hydrogen 2.993 N/A LYS 77.A NZ ILE 221.A O no hydrogen 3.285 N/A GLY 78.A N ALA 74.A O no hydrogen 2.796 N/A SER 79.A N LEU 75.A O no hydrogen 2.852 N/A SER 79.A OG LEU 75.A O no hydrogen 3.060 N/A ALA 80.A N LEU 76.A O no hydrogen 3.115 N/A ALA 83.A N SER 79.A O no hydrogen 2.895 N/A MET 84.A N ALA 80.A O no hydrogen 2.983 N/A PHE 85.A N VAL 81.A O no hydrogen 3.006 N/A LEU 86.A N GLU 82.A O no hydrogen 2.976 N/A ARG 87.A N ALA 83.A O no hydrogen 2.835 N/A ARG 87.A NH1 GLU 90.A OE1 no hydrogen 3.214 N/A SER 88.A N MET 84.A O no hydrogen 2.852 N/A SER 88.A OG MET 84.A O no hydrogen 3.306 N/A SER 88.A OG PHE 85.A O no hydrogen 2.900 N/A SER 88.A OG TYR 122.A OH no hydrogen 2.856 N/A ALA 89.A N PHE 85.A O no hydrogen 2.954 N/A GLU 90.A N LEU 86.A O no hydrogen 3.045 N/A ILE 91.A N ARG 87.A O no hydrogen 3.044 N/A PHE 92.A N SER 88.A O no hydrogen 2.982 N/A ASN 93.A N ALA 89.A O no hydrogen 3.119 N/A ASN 93.A N GLU 90.A O no hydrogen 3.219 N/A ASN 93.A ND2 ALA 89.A O no hydrogen 2.955 N/A ASN 93.A ND2 TYR 122.A O no hydrogen 2.820 N/A LYS 94.A N GLU 90.A O no hydrogen 3.112 N/A LYS 94.A N ILE 91.A O no hydrogen 3.257 N/A LYS 95.A N ILE 91.A O no hydrogen 2.937 N/A LYS 95.A NZ PHE 92.A O no hydrogen 3.030 N/A HIS 97.A NE2 THR 26.A OG1 no hydrogen 3.256 N/A SER 98.A N GLY 96.A O no hydrogen 2.346 N/A SER 98.A OG LYS 95.A O no hydrogen 3.272 N/A SER 98.A OG GLY 96.A O no hydrogen 2.869 N/A LEU 101.A N HIS 97.A O no hydrogen 3.253 N/A GLU 102.A N SER 98.A O no hydrogen 2.917 N/A GLU 103.A N ASP 99.A O no hydrogen 3.380 N/A ARG 104.A N LEU 100.A O no hydrogen 3.118 N/A ARG 104.A NE ILE 29.A O no hydrogen 2.845 N/A ARG 104.A NH1 GLU 33.A O no hydrogen 2.875 N/A ARG 104.A NH1 ASN 39.A OD1 no hydrogen 2.987 N/A ARG 104.A NH2 ILE 29.A O no hydrogen 2.866 N/A ARG 104.A NH2 GLU 32.A O no hydrogen 3.062 N/A ILE 105.A N LEU 101.A O no hydrogen 2.921 N/A ARG 106.A N GLU 102.A O no hydrogen 2.879 N/A ARG 106.A NE GLU 102.A OE2 no hydrogen 2.709 N/A ARG 106.A NH2 GLU 102.A OE2 no hydrogen 3.066 N/A ASN 107.A N ARG 104.A O no hydrogen 3.068 N/A SER 108.A OG ILE 105.A O no hydrogen 2.858 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.839 N/A TYR 114.A N SER 111.A O no hydrogen 2.995 N/A ILE 115.A N SER 111.A O no hydrogen 3.248 N/A THR 116.A N ASP 112.A O no hydrogen 3.120 N/A THR 116.A OG1 ASP 112.A O no hydrogen 3.225 N/A MET 118.A N TYR 114.A O no hydrogen 3.200 N/A PHE 119.A N ILE 115.A O no hydrogen 3.094 N/A SER 120.A N THR 116.A O no hydrogen 3.045 N/A PHE 121.A N PRO 117.A O no hydrogen 2.938 N/A TYR 122.A N MET 118.A O no hydrogen 3.156 N/A TYR 122.A OH SER 88.A OG no hydrogen 2.856 N/A LYS 123.A N PHE 119.A O no hydrogen 3.113 N/A LYS 123.A NZ GLU 127.A OE1 no hydrogen 3.427 N/A SER 124.A N SER 120.A O no hydrogen 2.912 N/A SER 124.A OG SER 120.A O no hydrogen 3.433 N/A ILE 125.A N PHE 121.A O no hydrogen 2.924 N/A ILE 125.A N TYR 122.A O no hydrogen 3.176 N/A GLY 126.A N TYR 122.A O no hydrogen 2.840 N/A GLU 127.A N LYS 123.A O no hydrogen 3.177 N/A LEU 128.A N ILE 125.A O no hydrogen 3.087 N/A LYS 129.A N GLY 126.A O no hydrogen 3.375 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.753 N/A THR 131.A OG1 GLU 133.A OE1 no hydrogen 3.509 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.822 N/A GLU 134.A N THR 131.A OG1 no hydrogen 3.269 N/A TYR 135.A N THR 131.A O no hydrogen 3.133 N/A ALA 136.A N GLN 132.A O no hydrogen 2.780 N/A LEU 137.A N GLU 133.A O no hydrogen 2.834 N/A LEU 138.A N GLU 134.A O no hydrogen 2.934 N/A THR 139.A N TYR 135.A O no hydrogen 3.026 N/A THR 139.A OG1 TYR 135.A O no hydrogen 2.655 N/A ALA 140.A N ALA 136.A O no hydrogen 3.069 N/A ILE 141.A N LEU 137.A O no hydrogen 2.797 N/A VAL 142.A N LEU 138.A O no hydrogen 2.789 N/A ILE 143.A N THR 139.A O no hydrogen 2.918 N/A LEU 144.A N ALA 140.A O no hydrogen 3.008 N/A SER 145.A OG ASP 147.A OD2 no hydrogen 2.621 N/A ASP 147.A N SER 145.A OG no hydrogen 3.294 N/A ARG 148.A NH1 GLU 82.A OE1 no hydrogen 3.531 N/A ARG 148.A NH1 GLU 82.A OE2 no hydrogen 2.840 N/A ARG 148.A NH2 GLU 82.A OE1 no hydrogen 2.802 N/A ARG 148.A NH2 VAL 142.A O no hydrogen 2.963 N/A ILE 151.A N ARG 148.A O no hydrogen 3.238 N/A LYS 152.A N ASP 71.A OD1 no hydrogen 2.985 N/A LYS 152.A NZ ASP 68.A OD1 no hydrogen 3.082 N/A LYS 152.A NZ ASP 68.A OD2 no hydrogen 3.041 N/A LYS 152.A NZ GLU 70.A OE2 no hydrogen 2.821 N/A ASP 153.A N ASP 71.A OD2 no hydrogen 2.843 N/A ARG 154.A N LYS 152.A O no hydrogen 3.066 N/A ARG 154.A NE ILE 151.A O no hydrogen 3.435 N/A GLU 158.A N ARG 154.A O no hydrogen 3.031 N/A LYS 159.A N GLU 155.A O no hydrogen 3.100 N/A LEU 160.A N ALA 156.A O no hydrogen 3.259 N/A GLN 161.A N VAL 157.A O no hydrogen 3.044 N/A GLN 161.A N GLU 158.A O no hydrogen 3.272 N/A GLN 161.A NE2 ILE 141.A O no hydrogen 3.108 N/A GLU 162.A N GLU 158.A O no hydrogen 3.127 N/A LEU 164.A N GLN 161.A O no hydrogen 2.870 N/A LEU 165.A N GLN 161.A O no hydrogen 3.140 N/A ASP 166.A N GLU 162.A O no hydrogen 2.920 N/A VAL 167.A N PRO 163.A O no hydrogen 2.876 N/A LEU 168.A N LEU 164.A O no hydrogen 2.879 N/A GLN 169.A N LEU 165.A O no hydrogen 3.012 N/A LYS 170.A N ASP 166.A O no hydrogen 3.150 N/A LYS 170.A NZ GLN 5.A OE1 no hydrogen 2.820 N/A LEU 171.A N VAL 167.A O no hydrogen 2.956 N/A CYS 172.A N LEU 168.A O no hydrogen 2.867 N/A CYS 172.A SG LEU 168.A O no hydrogen 3.401 N/A CYS 172.A SG HIS 182.A ND1 no hydrogen 3.689 N/A LYS 173.A N GLN 169.A O no hydrogen 3.173 N/A ILE 174.A N LYS 170.A O no hydrogen 2.895 N/A HIS 175.A N LEU 171.A O no hydrogen 2.908 N/A GLN 176.A N CYS 172.A O no hydrogen 2.955 N/A ASN 179.A N GLN 176.A O no hydrogen 3.001 N/A HIS 182.A N ASN 179.A O no hydrogen 3.018 N/A HIS 182.A NE2 LEU 128.A O no hydrogen 3.256 N/A CYS 185.A N GLN 181.A O no hydrogen 2.955 N/A LEU 186.A N HIS 182.A O no hydrogen 2.972 N/A LEU 187.A N PHE 183.A O no hydrogen 3.011 N/A GLY 188.A N ALA 184.A O no hydrogen 3.029 N/A ARG 189.A N CYS 185.A O no hydrogen 3.088 N/A ARG 189.A NE SER 124.A O no hydrogen 2.980 N/A ARG 189.A NH2 SER 124.A O no hydrogen 2.470 N/A LEU 190.A N LEU 186.A O no hydrogen 3.148 N/A LEU 190.A N LEU 187.A O no hydrogen 3.219 N/A THR 191.A N GLY 188.A O no hydrogen 2.857 N/A GLU 192.A N GLY 188.A O no hydrogen 3.159 N/A LEU 193.A N ARG 189.A O no hydrogen 2.920 N/A ARG 194.A N LEU 190.A O no hydrogen 3.140 N/A ARG 194.A N THR 191.A O no hydrogen 3.131 N/A THR 195.A N GLU 192.A O no hydrogen 3.038 N/A THR 195.A OG1 GLU 192.A O no hydrogen 2.524 N/A PHE 196.A N LEU 193.A O no hydrogen 3.000 N/A ASN 197.A N ARG 194.A O no hydrogen 3.074 N/A ASN 197.A ND2 GLU 82.A OE2 no hydrogen 2.770 N/A ASN 197.A ND2 ARG 194.A O no hydrogen 3.083 N/A HIS 198.A N THR 195.A O no hydrogen 3.071 N/A HIS 199.A N THR 195.A O no hydrogen 3.159 N/A HIS 200.A N PHE 196.A O no hydrogen 2.739 N/A ALA 201.A N ASN 197.A O no hydrogen 3.155 N/A GLU 202.A N HIS 198.A O no hydrogen 2.981 N/A MET 203.A N HIS 199.A O no hydrogen 2.935 N/A LEU 204.A N HIS 200.A O no hydrogen 2.879 N/A MET 205.A N ALA 201.A O no hydrogen 3.016 N/A SER 206.A N GLU 202.A O no hydrogen 2.977 N/A SER 206.A OG GLU 202.A O no hydrogen 3.147 N/A TRP 207.A N MET 203.A O no hydrogen 2.980 N/A TRP 207.A NE1 SER 108.A O no hydrogen 2.955 N/A ARG 208.A N LEU 204.A O no hydrogen 2.885 N/A VAL 209.A N MET 205.A O no hydrogen 3.000 N/A ASN 210.A N SER 206.A O no hydrogen 2.897 N/A ASP 211.A N ARG 208.A O no hydrogen 2.785 N/A HIS 212.A N TRP 207.A O no hydrogen 2.797 N/A HIS 212.A ND1 TRP 207.A O no hydrogen 3.235 N/A THR 215.A OG1 THR 48.A OG1 no hydrogen 3.289 N/A THR 215.A OG1 PHE 214.A O no hydrogen 2.811 N/A CYS 219.A N THR 215.A O no hydrogen 2.882 N/A CYS 219.A SG THR 215.A O no hydrogen 3.158 N/A GLU 220.A N PRO 216.A O no hydrogen 3.170 N/A ILE 221.A N LEU 217.A O no hydrogen 3.071 N/A TRP 222.A N LEU 218.A O no hydrogen 3.039 N/A ASP 223.A N GLU 220.A O no hydrogen 3.456 N/A VAL 224.A N CYS 219.A O no hydrogen 3.056 N/A