Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cjp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ASP 26.A OD1 no hydrogen 3.069 N/A ILE 3.A N LEU 252.A O no hydrogen 2.876 N/A ASP 4.A N LYS 27.A O no hydrogen 2.883 N/A GLY 5.A N PHE 222.A O no hydrogen 2.754 N/A HIS 6.A N ASP 4.A OD1 no hydrogen 3.269 N/A THR 7.A N ILE 29.A O no hydrogen 3.201 N/A THR 7.A OG1 ASP 4.A OD2 no hydrogen 2.637 N/A THR 7.A OG1 HIS 6.A O no hydrogen 3.094 N/A HIS 8.A N MET 226.A O no hydrogen 2.806 N/A HIS 8.A ND1 SER 32.A O no hydrogen 3.342 N/A VAL 9.A N PHE 31.A O no hydrogen 2.943 N/A LEU 11.A N GLU 38.A OE2 no hydrogen 2.808 N/A HIS 16.A ND1 TYR 86.A OH no hydrogen 2.823 N/A ILE 17.A N VAL 13.A O no hydrogen 2.930 N/A LYS 18.A N GLU 14.A O no hydrogen 2.984 N/A LYS 18.A NZ ASP 21.A OD2 no hydrogen 3.510 N/A ILE 19.A N LYS 15.A O no hydrogen 3.108 N/A MET 20.A N HIS 16.A O no hydrogen 2.994 N/A ASP 21.A N ILE 17.A O no hydrogen 2.824 N/A GLU 22.A N LYS 18.A O no hydrogen 2.781 N/A ALA 23.A N ILE 19.A O no hydrogen 3.071 N/A ALA 23.A N MET 20.A O no hydrogen 3.147 N/A GLY 24.A N ASP 21.A O no hydrogen 3.165 N/A VAL 25.A N MET 20.A O no hydrogen 2.825 N/A ASP 26.A N ILE 2.A O no hydrogen 2.858 N/A LYS 27.A NZ SER 84.A O no hydrogen 2.829 N/A THR 28.A N ARG 85.A O no hydrogen 2.864 N/A ILE 29.A N ASP 4.A O no hydrogen 2.817 N/A LEU 30.A N VAL 87.A O no hydrogen 2.888 N/A PHE 31.A N THR 7.A O no hydrogen 2.788 N/A THR 33.A OG1 ILE 35.A O no hydrogen 2.936 N/A SER 34.A OG SER 71.A OG.B no hydrogen 3.340 N/A ILE 35.A N THR 33.A OG1 no hydrogen 3.189 N/A HIS 36.A ND1 GLU 38.A OE2 no hydrogen 2.801 N/A HIS 36.A NE2 GLU 74.A OE1 no hydrogen 2.700 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.748 N/A THR 39.A N HIS 36.A O no hydrogen 3.028 N/A THR 39.A OG1 HIS 36.A O no hydrogen 2.945 N/A ASP 45.A N ASN 42.A OD1 no hydrogen 3.320 N/A VAL 46.A N ASN 42.A O no hydrogen 3.416 N/A LYS 47.A N LEU 43.A O no hydrogen 3.010 N/A LYS 48.A N ARG 44.A O no hydrogen 2.981 N/A GLU 49.A N ASP 45.A O no hydrogen 2.955 N/A MET 50.A N VAL 46.A O no hydrogen 2.834 N/A LYS 51.A N LYS 47.A O no hydrogen 2.914 N/A LYS 52.A N LYS 48.A O no hydrogen 3.156 N/A LEU 53.A N GLU 49.A O no hydrogen 2.748 N/A ASN 54.A N MET 50.A O no hydrogen 2.828 N/A ASP 55.A N LYS 51.A O no hydrogen 3.266 N/A VAL 56.A N LYS 52.A O no hydrogen 3.236 N/A VAL 57.A N LEU 53.A O no hydrogen 2.971 N/A ASN 58.A N ASN 54.A O no hydrogen 3.175 N/A ASN 58.A ND2 ASN 54.A O no hydrogen 2.998 N/A GLY 59.A N VAL 56.A O no hydrogen 2.750 N/A LYS 60.A N ASP 55.A O no hydrogen 2.840 N/A ASN 62.A ND2 THR 121.A O no hydrogen 2.580 N/A SER 63.A OG ASN 62.A O no hydrogen 3.188 N/A ARG 68.A N MET 64.A O no hydrogen 3.292 N/A ARG 68.A NH1 ASN 62.A OD1 no hydrogen 3.412 N/A ARG 68.A NH2 ASN 62.A OD1 no hydrogen 3.289 N/A ARG 69.A N ILE 65.A O no hydrogen 2.697 N/A ASN 70.A N ASP 66.A O no hydrogen 2.982 N/A SER 71.A N VAL 67.A O no hydrogen 3.025 N/A SER 71.A OG.A ARG 68.A O no hydrogen 2.792 N/A SER 71.A OG.B SER 34.A OG no hydrogen 3.340 N/A SER 71.A OG.B VAL 67.A O no hydrogen 3.256 N/A ILE 72.A N ARG 68.A O no hydrogen 3.234 N/A LYS 73.A N ARG 69.A O no hydrogen 3.141 N/A GLU 74.A N ASN 70.A O no hydrogen 2.916 N/A LEU 75.A N SER 71.A O no hydrogen 2.991 N/A THR 76.A N ILE 72.A O no hydrogen 2.812 N/A THR 76.A OG1 ILE 72.A O no hydrogen 3.338 N/A THR 76.A OG1 LYS 73.A O no hydrogen 3.028 N/A ASN 77.A N LYS 73.A O no hydrogen 3.037 N/A ASN 77.A ND2 LYS 73.A O no hydrogen 2.888 N/A VAL 78.A N GLU 74.A O no hydrogen 2.977 N/A ILE 79.A N LEU 75.A O no hydrogen 2.987 N/A GLN 80.A N THR 76.A O no hydrogen 3.039 N/A ALA 81.A N VAL 78.A O no hydrogen 3.032 N/A TYR 82.A N VAL 78.A O no hydrogen 3.428 N/A TYR 82.A N ILE 79.A O no hydrogen 3.233 N/A ARG 85.A N TYR 82.A O no hydrogen 2.816 N/A ARG 85.A NE ASP 26.A O no hydrogen 2.878 N/A ARG 85.A NH1 ASP 21.A OD1 no hydrogen 2.781 N/A ARG 85.A NH2 ASP 21.A OD1 no hydrogen 3.036 N/A ARG 85.A NH2 VAL 25.A O no hydrogen 2.847 N/A TYR 86.A N TYR 82.A O no hydrogen 3.118 N/A TYR 86.A OH HIS 16.A ND1 no hydrogen 2.823 N/A VAL 87.A N THR 28.A O no hydrogen 3.222 N/A PHE 89.A N LEU 30.A O no hydrogen 2.992 N/A GLY 90.A N GLY 116.A O no hydrogen 3.023 N/A VAL 92.A N ASN 91.A OD1 no hydrogen 2.762 N/A ASP 100.A N SER 97.A OG no hydrogen 3.088 N/A THR 101.A N SER 97.A O no hydrogen 2.939 N/A THR 101.A OG1 SER 97.A O no hydrogen 2.736 N/A ASN 102.A N GLU 98.A O no hydrogen 3.140 N/A SER 103.A N ASN 99.A O no hydrogen 3.280 N/A SER 103.A OG ASN 99.A O no hydrogen 2.896 N/A TYR 104.A N ASP 100.A O no hydrogen 3.440 N/A TYR 104.A OH ASN 91.A O no hydrogen 3.276 N/A ILE 105.A N THR 101.A O no hydrogen 2.947 N/A GLU 106.A N ASN 102.A O no hydrogen 3.112 N/A GLU 107.A N SER 103.A O no hydrogen 3.205 N/A ASN 108.A N TYR 104.A O no hydrogen 2.902 N/A ILE 109.A N ILE 105.A O no hydrogen 2.809 N/A VAL 110.A N ILE 105.A O no hydrogen 3.117 N/A ASN 111.A N GLU 106.A O no hydrogen 3.050 N/A ASN 112.A ND2 ASN 108.A O no hydrogen 2.821 N/A LYS 113.A N VAL 110.A O no hydrogen 3.114 N/A LEU 114.A N ILE 109.A O no hydrogen 3.137 N/A VAL 115.A N GLY 88.A O no hydrogen 2.908 N/A ILE 117.A N PRO 144.A O no hydrogen 2.793 N/A GLY 118.A N GLY 90.A O no hydrogen 2.899 N/A LEU 120.A N TRP 146.A O no hydrogen 2.849 N/A THR 121.A OG1 VAL 56.A O no hydrogen 3.341 N/A THR 121.A OG1 ASN 62.A OD1 no hydrogen 3.127 N/A SER 124.A OG ASP 157.A OD2 no hydrogen 2.736 N/A GLY 125.A N ASP 157.A OD1 no hydrogen 2.803 N/A GLN 126.A N ALA 123.A O no hydrogen 3.008 N/A SER 129.A N GLN 126.A O no hydrogen 3.087 N/A SER 129.A OG GLN 126.A O no hydrogen 2.714 N/A LEU 130.A N ILE 127.A O no hydrogen 3.014 N/A LYS 131.A N LYS 128.A O no hydrogen 3.097 N/A ILE 133.A N LEU 130.A O no hydrogen 2.961 N/A PHE 134.A N LEU 130.A O no hydrogen 3.323 N/A LYS 135.A N LYS 131.A O no hydrogen 2.856 N/A LYS 135.A NZ GLU 98.A OE1 no hydrogen 2.734 N/A TYR 136.A N PRO 132.A O no hydrogen 2.858 N/A TYR 136.A OH GLU 106.A OE1 no hydrogen 2.547 N/A SER 137.A N ILE 133.A O no hydrogen 2.955 N/A SER 137.A OG LEU 143.A O no hydrogen 2.508 N/A MET 138.A N PHE 134.A O no hydrogen 3.013 N/A ASP 139.A N LYS 135.A O no hydrogen 3.235 N/A ASP 139.A N TYR 136.A O no hydrogen 2.864 N/A SER 140.A N TYR 136.A O no hydrogen 2.808 N/A GLY 141.A N SER 140.A OG no hydrogen 2.434 N/A SER 142.A OG GLY 141.A O no hydrogen 2.813 N/A ILE 145.A N PRO 172.A O no hydrogen 2.868 N/A TRP 146.A N ILE 117.A O no hydrogen 2.824 N/A ILE 147.A N ILE 174.A O no hydrogen 2.994 N/A HIS 148.A N LEU 120.A O no hydrogen 2.734 N/A HIS 148.A ND1 GLU 119.A OE2 no hydrogen 3.028 N/A HIS 148.A NE2 ASN 151.A O no hydrogen 2.821 N/A LEU 153.A N PHE 150.A O no hydrogen 3.070 N/A VAL 154.A N ASP 157.A OD2 no hydrogen 2.774 N/A GLN 156.A NE2 GLU 160.A OE2 no hydrogen 3.336 N/A ILE 158.A N VAL 154.A O no hydrogen 3.217 N/A LYS 159.A N LEU 155.A O no hydrogen 2.951 N/A GLU 160.A N GLN 156.A O no hydrogen 2.908 N/A ILE 161.A N ASP 157.A O no hydrogen 2.935 N/A ALA 162.A N ILE 158.A O no hydrogen 3.088 N/A GLU 163.A N LYS 159.A O no hydrogen 3.157 N/A LEU 164.A N GLU 160.A O no hydrogen 3.112 N/A CYS 165.A N ILE 161.A O no hydrogen 2.927 N/A CYS 165.A SG ILE 161.A O no hydrogen 3.504 N/A LYS 166.A N ALA 162.A O no hydrogen 2.988 N/A LYS 166.A NZ GLU 163.A OE2 no hydrogen 3.005 N/A ALA 167.A N GLU 163.A O no hydrogen 2.938 N/A PHE 168.A N LEU 164.A O no hydrogen 3.075 N/A PHE 168.A N CYS 165.A O no hydrogen 3.111 N/A VAL 171.A N PHE 168.A O no hydrogen 3.009 N/A VAL 173.A N ASN 195.A O no hydrogen 2.932 N/A ILE 174.A N ILE 145.A O no hydrogen 2.822 N/A LEU 175.A N TYR 197.A O no hydrogen 2.796 N/A GLY 176.A N ILE 147.A O no hydrogen 2.846 N/A HIS 177.A N ASP 199.A OD2 no hydrogen 2.697 N/A HIS 177.A ND1 SER 201.A O no hydrogen 3.150 N/A HIS 177.A ND1 SER 201.A OG no hydrogen 2.726 N/A GLY 179.A N GLY 176.A O no hydrogen 3.210 N/A GLY 180.A N HIS 177.A O no hydrogen 3.009 N/A ASN 182.A N GLY 179.A O no hydrogen 2.957 N/A TRP 183.A N GLY 180.A O no hydrogen 3.227 N/A ALA 186.A N ASN 182.A O no hydrogen 3.034 N/A VAL 187.A N TRP 183.A O no hydrogen 2.894 N/A GLU 188.A N MET 184.A O no hydrogen 3.292 N/A LEU 189.A N THR 185.A O no hydrogen 2.939 N/A ALA 190.A N ALA 186.A O no hydrogen 2.927 N/A LYS 191.A N VAL 187.A O no hydrogen 3.039 N/A LYS 191.A NZ GLU 215.A OE2 no hydrogen 2.746 N/A GLU 192.A N GLU 188.A O no hydrogen 3.209 N/A ILE 193.A N LEU 189.A O no hydrogen 2.805 N/A ASN 195.A N ASN 195.A OD1 no hydrogen 2.651 N/A ASN 195.A ND2 CYS 165.A O no hydrogen 3.117 N/A ASN 195.A ND2 VAL 171.A O no hydrogen 2.859 N/A LEU 196.A N ILE 193.A O no hydrogen 3.246 N/A TYR 197.A N VAL 173.A O no hydrogen 2.830 N/A LEU 198.A N LYS 219.A O no hydrogen 3.011 N/A ASP 199.A N LEU 175.A O no hydrogen 2.851 N/A THR 200.A N ILE 221.A O no hydrogen 3.061 N/A SER 201.A N ASP 199.A OD1 no hydrogen 3.132 N/A SER 201.A OG HIS 177.A ND1 no hydrogen 2.726 N/A SER 201.A OG ASP 199.A OD1 no hydrogen 3.362 N/A SER 201.A OG ASP 199.A OD2 no hydrogen 2.690 N/A VAL 208.A N SER 205.A OG no hydrogen 3.010 N/A LEU 209.A N SER 205.A O no hydrogen 3.044 N/A LYS 210.A N THR 206.A O no hydrogen 2.755 N/A LYS 210.A NZ MET 241.A O no hydrogen 3.250 N/A LYS 210.A NZ ASN 243.A OD1 no hydrogen 3.074 N/A ILE 211.A N PHE 207.A O no hydrogen 2.998 N/A VAL 212.A N VAL 208.A O no hydrogen 2.899 N/A ILE 213.A N LEU 209.A O no hydrogen 2.961 N/A ASN 214.A N LYS 210.A O no hydrogen 3.201 N/A ASN 214.A ND2 LYS 210.A O no hydrogen 2.675 N/A ASN 214.A ND2 MET 241.A O no hydrogen 3.041 N/A GLU 215.A N ILE 211.A O no hydrogen 2.946 N/A LEU 216.A N VAL 212.A O no hydrogen 2.943 N/A LYS 219.A N LEU 216.A O no hydrogen 3.227 N/A LYS 219.A NZ ALA 190.A O no hydrogen 2.822 N/A LYS 219.A NZ GLN 194.A O no hydrogen 3.064 N/A LYS 219.A NZ LEU 196.A O no hydrogen 2.888 N/A CYS 220.A SG VAL 212.A O no hydrogen 3.882 N/A CYS 220.A SG LEU 216.A O no hydrogen 3.330 N/A ILE 221.A N LEU 198.A O no hydrogen 2.826 N/A PHE 222.A N VAL 251.A O no hydrogen 2.827 N/A GLY 223.A N THR 200.A OG1 no hydrogen 3.200 N/A THR 224.A N ASP 4.A OD1 no hydrogen 2.926 N/A THR 224.A OG1 ASP 4.A OD1 no hydrogen 3.424 N/A THR 224.A OG1 ASP 4.A OD2 no hydrogen 2.584 N/A ASP 225.A N HIS 6.A O no hydrogen 2.625 N/A MET 226.A N THR 7.A OG1 no hydrogen 3.076 N/A MET 226.A N THR 224.A OG1 no hydrogen 3.227 N/A PHE 228.A N ASP 225.A O no hydrogen 2.718 N/A LEU 233.A N ASP 230.A OD1 no hydrogen 3.099 N/A SER 234.A N ASP 230.A O no hydrogen 2.887 N/A SER 234.A OG ASP 230.A O no hydrogen 3.097 N/A ILE 235.A N LEU 231.A O no hydrogen 2.964 N/A GLU 236.A N GLN 232.A O no hydrogen 3.072 N/A ALA 237.A N LEU 233.A O no hydrogen 3.115 N/A ILE 238.A N SER 234.A O no hydrogen 3.117 N/A LYS 239.A N ILE 235.A O no hydrogen 3.028 N/A LYS 240.A N GLU 236.A O no hydrogen 2.894 N/A MET 241.A N ALA 237.A O no hydrogen 2.769 N/A SER 242.A N ILE 238.A O no hydrogen 2.869 N/A SER 242.A OG ILE 238.A O no hydrogen 2.697 N/A ASN 243.A N ASN 214.A OD1 no hydrogen 2.756 N/A VAL 247.A N ASP 244.A OD1 no hydrogen 2.884 N/A ALA 248.A N ASP 244.A O no hydrogen 3.165 N/A ASN 249.A N SER 245.A O no hydrogen 2.804 N/A ALA 250.A N TYR 246.A O no hydrogen 2.858 N/A VAL 251.A N VAL 247.A O no hydrogen 2.886 N/A LEU 252.A N ALA 248.A O no hydrogen 2.976 N/A GLY 253.A N ALA 250.A O no hydrogen 3.349 N/A ASP 254.A N ASN 249.A O no hydrogen 3.313 N/A ASN 255.A N ALA 250.A O no hydrogen 2.971 N/A ASN 255.A ND2 PRO 217.A O no hydrogen 2.818 N/A ASN 255.A ND2 CYS 220.A O no hydrogen 2.782 N/A SER 257.A N GLY 253.A O no hydrogen 2.909 N/A SER 257.A OG GLY 253.A O no hydrogen 2.799 N/A ARG 258.A N ASP 254.A O no hydrogen 2.957 N/A ARG 258.A NH2 ASN 255.A OD1 no hydrogen 3.069 N/A LEU 259.A N ASN 255.A O no hydrogen 2.976 N/A LEU 260.A N ILE 256.A O no hydrogen 2.822 N/A ASN 261.A N ARG 258.A O no hydrogen 3.319 N/A ILE 262.A N SER 257.A O no hydrogen 2.856 N/A