Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ASP 8.A OD2 no hydrogen 2.996 N/A LEU 9.A N GLN 5.A O no hydrogen 3.035 N/A LYS 10.A N VAL 6.A O no hydrogen 2.847 N/A ALA 11.A N ALA 7.A O no hydrogen 3.122 N/A PHE 12.A N ASP 8.A O no hydrogen 2.887 N/A SER 13.A N LEU 9.A O no hydrogen 2.977 N/A SER 13.A OG LEU 9.A O no hydrogen 3.157 N/A LYS 14.A N LYS 10.A O no hydrogen 3.149 N/A HIS 15.A N.A ALA 11.A O no hydrogen 3.158 N/A HIS 15.A N.B ALA 11.A O no hydrogen 3.154 N/A ILE 16.A N PHE 12.A O no hydrogen 3.133 N/A TYR 17.A N SER 13.A O no hydrogen 2.895 N/A ASN 18.A N LYS 14.A O no hydrogen 2.974 N/A ALA 19.A N HIS 15.A O.A no hydrogen 2.987 N/A ALA 19.A N HIS 15.A O.B no hydrogen 3.031 N/A TYR 20.A N ILE 16.A O no hydrogen 3.013 N/A TYR 20.A OH ASP 174.A OD1 no hydrogen 2.899 N/A LEU 21.A N TYR 17.A O no hydrogen 2.934 N/A LYS 22.A N ASN 18.A O no hydrogen 2.898 N/A ASN 23.A N TYR 20.A O no hydrogen 3.133 N/A ASN 23.A ND2 ALA 19.A O no hydrogen 2.637 N/A ASN 23.A ND2 SER 95.A OG no hydrogen 3.418 N/A PHE 24.A N TYR 20.A O no hydrogen 3.040 N/A ASN 25.A N GLU 88.A OE2 no hydrogen 3.332 N/A ASN 25.A ND2 ASN 136.A OD1 no hydrogen 2.679 N/A LYS 28.A N ASP 174.A OD1 no hydrogen 2.835 N/A LYS 28.A NZ LEU 172.A O no hydrogen 2.770 N/A LYS 29.A N ASP 174.A OD2 no hydrogen 3.069 N/A LYS 30.A N THR 27.A OG1 no hydrogen 3.331 N/A ALA 31.A N THR 27.A O no hydrogen 2.908 N/A ARG 32.A N LYS 28.A O no hydrogen 2.796 N/A SER 33.A N LYS 29.A O no hydrogen 3.019 N/A SER 33.A OG LYS 30.A O no hydrogen 2.744 N/A ILE 34.A N LYS 30.A O no hydrogen 3.167 N/A LEU 35.A N ALA 31.A O no hydrogen 2.893 N/A THR 36.A N ARG 32.A O no hydrogen 2.853 N/A THR 36.A OG1 ARG 32.A O no hydrogen 2.749 N/A GLY 37.A N ILE 34.A O no hydrogen 3.313 N/A LYS 38.A N SER 33.A O no hydrogen 2.794 N/A LYS 38.A NZ.A LYS 38.A O no hydrogen 3.559 N/A ALA 39.A N SER 33.A O no hydrogen 2.968 N/A PHE 45.A N SER 138.A O no hydrogen 3.146 N/A ILE 47.A N PHE 140.A O no hydrogen 2.793 N/A HIS 48.A N THR 52.A OG1 no hydrogen 3.034 N/A ASP 49.A N THR 52.A OG1 no hydrogen 3.131 N/A THR 52.A N ASP 49.A OD1 no hydrogen 3.001 N/A THR 52.A OG1 ASP 49.A O no hydrogen 3.154 N/A THR 52.A OG1 ASP 49.A OD1 no hydrogen 2.689 N/A LEU 53.A N ASP 49.A O no hydrogen 3.022 N/A TRP 54.A N ILE 50.A O no hydrogen 2.984 N/A GLN 55.A N GLU 51.A O no hydrogen 2.992 N/A ALA 56.A N THR 52.A O no hydrogen 2.808 N/A GLU 57.A N LEU 53.A O no hydrogen 2.933 N/A LYS 58.A N GLN 55.A O no hydrogen 2.927 N/A GLY 59.A N ALA 56.A O no hydrogen 3.371 N/A LEU 60.A N ALA 56.A O no hydrogen 2.728 N/A TRP 62.A NE1 ALA 56.A O no hydrogen 3.175 N/A HIS 73.A N GLU 69.A O no hydrogen 2.922 N/A HIS 73.A NE2 GLU 57.A OE2 no hydrogen 2.710 N/A VAL 74.A N ILE 70.A O no hydrogen 3.045 N/A PHE 75.A N SER 71.A O no hydrogen 3.015 N/A TYR 76.A N VAL 72.A O no hydrogen 2.974 N/A TYR 76.A OH SER 257.A OG no hydrogen 3.150 N/A ARG 77.A N HIS 73.A O no hydrogen 3.102 N/A ARG 77.A NE GLU 57.A OE2 no hydrogen 2.724 N/A ARG 77.A NH2 GLU 57.A OE1 no hydrogen 2.906 N/A CYS 78.A N VAL 74.A O no hydrogen 2.977 N/A CYS 78.A SG VAL 74.A O no hydrogen 3.359 N/A GLN 79.A N PHE 75.A O no hydrogen 3.200 N/A GLN 79.A NE2 SER 257.A O no hydrogen 3.034 N/A CYS 80.A N TYR 76.A O no hydrogen 2.996 N/A CYS 80.A SG.A GLU 84.A OE1.B no hydrogen 3.428 N/A CYS 80.A SG.B TYR 76.A O no hydrogen 3.762 N/A THR 81.A N ARG 77.A O no hydrogen 3.110 N/A THR 81.A OG1 ARG 77.A O no hydrogen 2.881 N/A THR 82.A N CYS 78.A O no hydrogen 2.970 N/A THR 82.A OG1 CYS 78.A O no hydrogen 2.882 N/A VAL 83.A N GLN 79.A O no hydrogen 2.874 N/A GLU 84.A N CYS 80.A O no hydrogen 3.161 N/A THR 85.A N THR 81.A O no hydrogen 3.113 N/A THR 85.A OG1 THR 81.A O no hydrogen 3.172 N/A VAL 86.A N THR 82.A O no hydrogen 2.885 N/A ARG 87.A N VAL 83.A O no hydrogen 3.130 N/A GLU 88.A N GLU 84.A O no hydrogen 3.143 N/A LEU 89.A N THR 85.A O no hydrogen 2.822 N/A THR 90.A N VAL 86.A O no hydrogen 2.955 N/A THR 90.A OG1 VAL 86.A O no hydrogen 2.895 N/A GLU 91.A N ARG 87.A O no hydrogen 3.176 N/A PHE 92.A N GLU 88.A O no hydrogen 2.809 N/A ALA 93.A N LEU 89.A O no hydrogen 2.817 N/A LYS 94.A N THR 90.A O no hydrogen 3.050 N/A LYS 94.A NZ GLU 91.A OE2 no hydrogen 3.566 N/A SER 95.A N PHE 92.A O no hydrogen 2.909 N/A SER 95.A OG GLU 91.A O no hydrogen 3.227 N/A ILE 96.A N ALA 93.A O no hydrogen 2.872 N/A SER 98.A OG PRO 97.A O no hydrogen 1.823 N/A PHE 99.A N ILE 96.A O no hydrogen 3.038 N/A SER 100.A OG.A LYS 94.A O no hydrogen 3.336 N/A SER 101.A OG.A SER 98.A O no hydrogen 3.324 N/A LEU 102.A N PHE 99.A O no hydrogen 3.085 N/A GLN 107.A N PHE 103.A O no hydrogen 2.997 N/A GLN 107.A NE2 SER 100.A O.A no hydrogen 3.292 N/A GLN 107.A NE2 SER 100.A O.B no hydrogen 3.196 N/A GLN 107.A NE2 LEU 102.A O no hydrogen 3.018 N/A VAL 108.A N LEU 104.A O no hydrogen 3.080 N/A THR 109.A N ASN 105.A O no hydrogen 2.879 N/A THR 109.A OG1 ASN 105.A O no hydrogen 2.901 N/A LEU 110.A N ASP 106.A O no hydrogen 2.853 N/A LEU 111.A N GLN 107.A O no hydrogen 3.144 N/A LYS 112.A N VAL 108.A O no hydrogen 2.963 N/A LYS 112.A NZ GLU 264.A O no hydrogen 2.867 N/A LYS 112.A NZ ILE 265.A O no hydrogen 2.818 N/A TYR 113.A N THR 109.A O no hydrogen 3.152 N/A GLY 114.A N LEU 111.A O no hydrogen 3.194 N/A VAL 115.A N LEU 111.A O no hydrogen 2.910 N/A ALA 118.A N GLY 114.A O no hydrogen 3.186 N/A ILE 119.A N VAL 115.A O no hydrogen 2.701 N/A PHE 120.A N HIS 116.A O no hydrogen 2.959 N/A ALA 121.A N GLU 117.A O no hydrogen 3.134 N/A MET 122.A N ALA 118.A O no hydrogen 2.976 N/A LEU 123.A N ILE 119.A O no hydrogen 2.832 N/A ALA 124.A N ALA 121.A O no hydrogen 3.315 N/A SER 125.A N MET 122.A O no hydrogen 2.925 N/A ILE 126.A N LEU 123.A O no hydrogen 3.022 N/A VAL 127.A N ALA 124.A O no hydrogen 3.164 N/A ASN 128.A N GLY 131.A O no hydrogen 2.959 N/A LYS 129.A NZ ASP 130.A OD1 no hydrogen 3.380 N/A LYS 129.A NZ ASP 130.A OD2 no hydrogen 3.392 N/A ASP 130.A N ASN 128.A OD1 no hydrogen 2.818 N/A GLY 131.A N ASN 128.A O no hydrogen 3.279 N/A LEU 132.A N VAL 141.A O no hydrogen 3.014 N/A LEU 133.A N ILE 126.A O no hydrogen 2.970 N/A VAL 134.A N GLY 139.A O no hydrogen 2.862 N/A GLY 137.A N VAL 134.A O no hydrogen 2.912 N/A SER 138.A N ALA 135.A O no hydrogen 3.041 N/A SER 138.A OG ALA 135.A O no hydrogen 2.812 N/A GLY 139.A N VAL 134.A O no hydrogen 3.028 N/A PHE 140.A N PHE 45.A O no hydrogen 2.802 N/A VAL 141.A N LEU 132.A O no hydrogen 2.951 N/A THR 142.A N ILE 47.A O no hydrogen 2.980 N/A ARG 143.A N ASP 130.A O no hydrogen 2.786 N/A ARG 143.A NE GLU 158.A OE1 no hydrogen 3.153 N/A ARG 143.A NE GLU 158.A OE2 no hydrogen 3.284 N/A ARG 143.A NH1 LYS 129.A O no hydrogen 3.076 N/A ARG 143.A NH2 GLU 158.A OE2 no hydrogen 2.750 N/A PHE 145.A N THR 142.A OG1 no hydrogen 3.148 N/A LEU 146.A N THR 142.A O no hydrogen 3.219 N/A ARG 147.A N ARG 143.A O no hydrogen 3.059 N/A ARG 147.A NE GLU 158.A OE1 no hydrogen 3.122 N/A ARG 147.A NH2 GLU 158.A OE2 no hydrogen 2.753 N/A SER 148.A N PHE 145.A O no hydrogen 3.051 N/A SER 148.A OG PHE 145.A O no hydrogen 2.556 N/A ARG 150.A N SER 71.A OG no hydrogen 3.026 N/A ARG 150.A NE GLU 69.A OE1 no hydrogen 2.806 N/A ARG 150.A NH1 LYS 151.A O no hydrogen 3.007 N/A ARG 150.A NH1 GLU 253.A OE2 no hydrogen 2.984 N/A ARG 150.A NH2 GLU 69.A OE1 no hydrogen 3.521 N/A ARG 150.A NH2 GLU 69.A OE2 no hydrogen 2.920 N/A ARG 150.A NH2 GLU 253.A OE1 no hydrogen 2.978 N/A PHE 153.A N ARG 150.A O no hydrogen 2.963 N/A SER 154.A N ARG 150.A O no hydrogen 3.338 N/A SER 154.A OG LEU 149.A O no hydrogen 3.203 N/A SER 154.A OG ASP 155.A OD2 no hydrogen 3.502 N/A ILE 156.A N PHE 153.A O no hydrogen 3.311 N/A LYS 160.A N ILE 157.A O no hydrogen 2.886 N/A LYS 160.A NZ ILE 156.A O no hydrogen 2.911 N/A LYS 160.A NZ HIS 242.A ND1 no hydrogen 2.835 N/A PHE 161.A N ILE 157.A O no hydrogen 3.425 N/A GLU 162.A N GLU 158.A O no hydrogen 3.212 N/A PHE 163.A N PRO 159.A O no hydrogen 3.188 N/A ALA 164.A N LYS 160.A O no hydrogen 2.873 N/A VAL 165.A N PHE 161.A O no hydrogen 2.945 N/A PHE 167.A N PHE 163.A O no hydrogen 2.915 N/A ASN 168.A N ALA 164.A O no hydrogen 2.720 N/A ASN 168.A ND2 ALA 124.A O no hydrogen 3.064 N/A ASN 168.A ND2 VAL 127.A O no hydrogen 3.136 N/A ALA 169.A N VAL 165.A O no hydrogen 3.277 N/A ALA 169.A N LYS 166.A O no hydrogen 3.167 N/A LEU 170.A N PHE 167.A O no hydrogen 3.059 N/A GLU 171.A N ASN 168.A O no hydrogen 3.022 N/A ASP 173.A N ASP 176.A OD2 no hydrogen 2.934 N/A SER 175.A OG ASP 173.A OD1 no hydrogen 2.577 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 3.490 N/A SER 175.A OG HIS 213.A NE2 no hydrogen 2.917 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 3.037 N/A LEU 177.A N ASP 173.A O no hydrogen 3.015 N/A ALA 178.A N ASP 174.A O no hydrogen 2.949 N/A PHE 180.A N ASP 176.A O no hydrogen 3.114 N/A ILE 181.A N LEU 177.A O no hydrogen 2.908 N/A ALA 182.A N ALA 178.A O no hydrogen 3.202 N/A ALA 183.A N LEU 179.A O no hydrogen 2.909 N/A ILE 184.A N PHE 180.A O no hydrogen 2.997 N/A ILE 185.A N ILE 181.A O no hydrogen 2.979 N/A LEU 186.A N ALA 182.A O no hydrogen 2.844 N/A CYS 187.A N ILE 185.A O no hydrogen 2.892 N/A ARG 190.A NH1 GLU 117.A OE1 no hydrogen 3.522 N/A ARG 190.A NH1 GLU 117.A OE2 no hydrogen 2.999 N/A ARG 190.A NH2 GLU 117.A OE1 no hydrogen 2.657 N/A ARG 190.A NH2 ILE 184.A O no hydrogen 3.125 N/A MET 194.A N ASP 106.A OD1 no hydrogen 2.729 N/A ASN 195.A N ASP 106.A OD2 no hydrogen 2.995 N/A ARG 198.A N ASN 195.A OD1 no hydrogen 3.219 N/A VAL 199.A N ASN 195.A O no hydrogen 3.370 N/A GLU 200.A N VAL 196.A O no hydrogen 2.791 N/A ALA 201.A N PRO 197.A O no hydrogen 2.914 N/A ILE 202.A N ARG 198.A O no hydrogen 3.115 N/A GLN 203.A N VAL 199.A O no hydrogen 2.880 N/A GLN 203.A NE2 ALA 183.A O no hydrogen 3.351 N/A ASP 204.A N GLU 200.A O no hydrogen 2.983 N/A THR 205.A N ALA 201.A O no hydrogen 3.073 N/A THR 205.A OG1 ALA 201.A O no hydrogen 3.025 N/A ILE 206.A N ILE 202.A O no hydrogen 2.986 N/A LEU 207.A N GLN 203.A O no hydrogen 2.893 N/A ARG 208.A N ASP 204.A O no hydrogen 2.930 N/A ARG 208.A NE ASP 204.A OD2 no hydrogen 2.755 N/A ARG 208.A NH2 ASP 204.A OD2 no hydrogen 2.823 N/A ALA 209.A N THR 205.A O no hydrogen 2.965 N/A LEU 210.A N ILE 206.A O no hydrogen 2.888 N/A GLU 211.A N LEU 207.A O no hydrogen 3.012 N/A PHE 212.A N ARG 208.A O no hydrogen 3.165 N/A HIS 213.A N ALA 209.A O no hydrogen 2.840 N/A HIS 213.A NE2 SER 175.A OG no hydrogen 2.917 N/A LEU 214.A N LEU 210.A O no hydrogen 2.847 N/A GLN 215.A N GLU 211.A O no hydrogen 3.098 N/A ALA 216.A N PHE 212.A O no hydrogen 3.341 N/A ASN 217.A N HIS 213.A O no hydrogen 2.895 N/A ASN 217.A ND2 ASP 173.A OD2 no hydrogen 2.787 N/A ASN 217.A ND2 ASP 176.A OD1 no hydrogen 3.054 N/A HIS 218.A N LEU 214.A O no hydrogen 2.708 N/A HIS 218.A NE2 ASP 176.A OD2 no hydrogen 2.582 N/A ALA 221.A N HIS 218.A O no hydrogen 3.219 N/A LYS 227.A N TYR 223.A O no hydrogen 2.983 N/A LYS 227.A NZ GLN 222.A O no hydrogen 3.317 N/A LEU 228.A N LEU 224.A O no hydrogen 3.028 N/A LEU 229.A N PHE 225.A O no hydrogen 3.072 N/A GLN 230.A N PRO 226.A O no hydrogen 3.128 N/A LYS 231.A N LYS 227.A O no hydrogen 3.018 N/A MET 232.A N LEU 228.A O no hydrogen 3.034 N/A ALA 233.A N LEU 229.A O no hydrogen 3.225 N/A ASP 234.A N GLN 230.A O no hydrogen 2.810 N/A LEU 235.A N LYS 231.A O no hydrogen 2.945 N/A ARG 236.A N MET 232.A O no hydrogen 3.364 N/A ARG 236.A NH1 ASP 189.A OD1 no hydrogen 2.944 N/A ARG 236.A NH2 ASP 189.A OD1 no hydrogen 3.057 N/A GLN 237.A N ALA 233.A O no hydrogen 3.403 N/A LEU 238.A N ASP 234.A O no hydrogen 3.001 N/A VAL 239.A N LEU 235.A O no hydrogen 3.010 N/A THR 240.A N ARG 236.A O no hydrogen 3.145 N/A THR 240.A OG1 ARG 236.A O no hydrogen 3.168 N/A GLU 241.A N GLN 237.A O no hydrogen 3.046 N/A HIS 242.A N LEU 238.A O no hydrogen 2.891 N/A ALA 243.A N VAL 239.A O no hydrogen 2.745 N/A GLN 244.A N THR 240.A O no hydrogen 3.070 N/A MET 245.A N GLU 241.A O no hydrogen 3.165 N/A MET 246.A N HIS 242.A O no hydrogen 2.952 N/A GLN 247.A N ALA 243.A O no hydrogen 2.944 N/A ARG 248.A N GLN 244.A O no hydrogen 3.064 N/A ILE 249.A N MET 245.A O no hydrogen 3.162 N/A LYS 250.A N MET 246.A O no hydrogen 2.962 N/A LYS 251.A N GLN 247.A O no hydrogen 3.028 N/A LYS 251.A N ARG 248.A O no hydrogen 3.252 N/A THR 252.A N ARG 248.A O no hydrogen 2.875 N/A THR 252.A OG1 ARG 248.A O no hydrogen 2.792 N/A GLU 253.A N ILE 249.A O no hydrogen 2.737 N/A THR 256.A N GLU 253.A O no hydrogen 2.806 N/A SER 257.A N TYR 76.A OH no hydrogen 3.108 N/A SER 257.A OG TYR 76.A OH no hydrogen 3.150 N/A HIS 259.A N GLN 79.A OE1 no hydrogen 2.727 N/A LEU 261.A N HIS 259.A ND1 no hydrogen 2.977 N/A GLN 263.A N HIS 259.A O no hydrogen 2.834 N/A GLU 264.A N PRO 260.A O no hydrogen 3.091 N/A ILE 265.A N LEU 261.A O no hydrogen 3.481 N/A TYR 266.A N LEU 262.A O no hydrogen 3.107 N/A TYR 266.A OH HIS 116.A NE2 no hydrogen 3.001 N/A LYS 267.A N GLU 264.A O no hydrogen 2.918 N/A