Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ksq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 ASP 97.A OD2 no hydrogen 2.693 N/A THR 5.A N PRO 2.A O no hydrogen 2.964 N/A THR 5.A OG1 PRO 2.A O no hydrogen 2.680 N/A ARG 6.A N ILE 3.A O no hydrogen 3.127 N/A ARG 6.A NE.B LYS 1.A O no hydrogen 3.051 N/A ARG 6.A NH1.B LYS 1.A O no hydrogen 2.436 N/A ASN 7.A ND2 ASP 9.A OD2 no hydrogen 3.399 N/A ASP 9.A N ASN 7.A OD1 no hydrogen 3.336 N/A ASP 10.A N ASN 7.A O no hydrogen 3.040 N/A ILE 11.A N PRO 8.A O no hydrogen 3.359 N/A THR 12.A N GLU 15.A OE1 no hydrogen 2.800 N/A THR 12.A OG1 GLU 15.A OE1 no hydrogen 3.323 N/A GLU 14.A N GLU 14.A OE2 no hydrogen 2.661 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.119 N/A TYR 16.A N THR 12.A O no hydrogen 3.180 N/A TYR 16.A OH HIS 35.A ND1 no hydrogen 2.882 N/A GLY 17.A N ASN 13.A O no hydrogen 2.975 N/A GLU 18.A N GLU 14.A O no hydrogen 3.096 N/A PHE 19.A N GLU 15.A O no hydrogen 3.042 N/A TYR 20.A N TYR 16.A O no hydrogen 2.647 N/A TYR 20.A OH ASP 26.A OD2 no hydrogen 2.715 N/A LYS 21.A N GLY 17.A O no hydrogen 2.878 N/A SER 22.A N GLU 18.A O no hydrogen 3.113 N/A SER 22.A OG PHE 19.A O no hydrogen 3.084 N/A LEU 23.A N PHE 19.A O no hydrogen 3.020 N/A THR 24.A N TYR 20.A O no hydrogen 3.116 N/A THR 24.A OG1 TYR 20.A O no hydrogen 2.941 N/A ASN 25.A N LYS 21.A O no hydrogen 2.913 N/A ASP 26.A N THR 24.A OG1 no hydrogen 3.104 N/A GLU 28.A N ASP 26.A OD1 no hydrogen 3.163 N/A HIS 30.A NE2 ASN 13.A OD1 no hydrogen 2.726 N/A LEU 31.A N VAL 50.A O no hydrogen 2.879 N/A LYS 34.A N LEU 48.A O no hydrogen 2.844 N/A LYS 34.A NZ GLU 129.A OE2 no hydrogen 2.935 N/A LYS 34.A NZ GLU 133.A OE1 no hydrogen 2.965 N/A LYS 34.A NZ GLU 133.A OE2 no hydrogen 3.473 N/A HIS 35.A ND1 TYR 16.A OH no hydrogen 2.882 N/A HIS 35.A NE2 TRP 4.A O no hydrogen 2.863 N/A PHE 36.A N ALA 46.A O no hydrogen 2.957 N/A VAL 38.A N PHE 44.A O no hydrogen 2.922 N/A GLU 43.A N ASP 100.A OD2 no hydrogen 2.938 N/A PHE 44.A N VAL 38.A O no hydrogen 2.888 N/A ARG 45.A N ASP 97.A O no hydrogen 3.043 N/A ARG 45.A NE TRP 4.A O no hydrogen 2.775 N/A ARG 45.A NH1 TRP 4.A O no hydrogen 3.472 N/A ALA 46.A N PHE 36.A O no hydrogen 2.847 N/A LEU 47.A N VAL 95.A O no hydrogen 2.886 N/A LEU 48.A N LYS 34.A O no hydrogen 2.877 N/A PHE 49.A N ARG 93.A O no hydrogen 2.797 N/A VAL 50.A N ALA 32.A O no hydrogen 2.895 N/A ARG 52.A NE ASP 29.A O no hydrogen 3.111 N/A ARG 52.A NE ASP 29.A OD1 no hydrogen 3.209 N/A ARG 52.A NH2 ASP 29.A OD1 no hydrogen 3.391 N/A ARG 53.A NE GLU 28.A OE1 no hydrogen 2.898 N/A ALA 54.A N GLN 147.A OE1 no hydrogen 2.827 N/A GLU 60.A N ASP 57.A OD2 no hydrogen 3.196 N/A ASN 61.A N LEU 58.A O no hydrogen 3.057 N/A ASN 61.A ND2 ASP 57.A O no hydrogen 2.617 N/A ARG 62.A NE GLU 87.A OE2 no hydrogen 3.028 N/A ARG 62.A NH2 GLU 87.A OE1 no hydrogen 2.951 N/A ARG 62.A NH2 GLU 158.A OE2 no hydrogen 2.949 N/A LYS 63.A N GLU 87.A OE2 no hydrogen 2.847 N/A LYS 63.A NZ GLU 82.A OE1 no hydrogen 3.383 N/A ASN 66.A ND2 CYS 81.A O no hydrogen 2.849 N/A ILE 68.A N ASN 66.A OD1 no hydrogen 2.984 N/A LYS 69.A N GLY 94.A O no hydrogen 2.826 N/A LEU 70.A N MET 78.A O no hydrogen 2.811 N/A TYR 71.A N VAL 96.A O no hydrogen 2.667 N/A VAL 72.A N VAL 75.A O no hydrogen 2.879 N/A ARG 73.A N SER 98.A O no hydrogen 2.948 N/A ARG 73.A NH2 GLU 99.A O no hydrogen 2.834 N/A ARG 73.A NH2 LEU 101.A O no hydrogen 3.492 N/A ARG 74.A N ASP 97.A OD1 no hydrogen 3.075 N/A ARG 74.A NH1 GLU 99.A OE1 no hydrogen 3.239 N/A ARG 74.A NH2 GLU 99.A OE1 no hydrogen 3.420 N/A VAL 75.A N VAL 72.A O no hydrogen 2.778 N/A ILE 77.A N LEU 70.A O no hydrogen 2.831 N/A MET 78.A N LEU 70.A O no hydrogen 3.411 N/A CYS 81.A SG GLU 83.A OE2 no hydrogen 3.149 N/A LEU 84.A N CYS 81.A O no hydrogen 3.190 N/A TYR 88.A OH ASP 159.A OD2 no hydrogen 2.976 N/A LEU 89.A N PRO 86.A O no hydrogen 2.997 N/A ASN 90.A N GLU 87.A O no hydrogen 2.819 N/A ASN 90.A ND2 LYS 64.A O no hydrogen 3.196 N/A ILE 92.A N LEU 89.A O no hydrogen 3.127 N/A ARG 93.A N PHE 49.A O no hydrogen 3.033 N/A VAL 95.A N LEU 47.A O no hydrogen 2.934 N/A VAL 96.A N LYS 69.A O no hydrogen 2.825 N/A ASP 97.A N ARG 45.A O no hydrogen 2.901 N/A SER 98.A N TYR 71.A O no hydrogen 2.829 N/A GLU 99.A N GLU 43.A O no hydrogen 3.000 N/A LEU 101.A N SER 98.A OG no hydrogen 3.098 N/A ILE 105.A N PRO 102.A O no hydrogen 3.274 N/A ARG 107.A NH1 ASN 80.A OD1 no hydrogen 3.187 N/A MET 109.A N SER 106.A OG no hydrogen 3.148 N/A LEU 110.A N SER 106.A O no hydrogen 2.956 N/A GLN 111.A N ARG 107.A O no hydrogen 2.948 N/A GLN 112.A N MET 109.A O no hydrogen 3.008 N/A SER 113.A N LEU 110.A O no hydrogen 3.148 N/A LEU 116.A N SER 113.A OG no hydrogen 2.935 N/A LYS 117.A N SER 113.A O no hydrogen 3.293 N/A VAL 118.A N LYS 114.A O no hydrogen 3.147 N/A ILE 119.A N ILE 115.A O no hydrogen 2.875 N/A ARG 120.A N LEU 116.A O no hydrogen 2.868 N/A ARG 120.A NH1 GLU 83.A O no hydrogen 2.792 N/A LYS 121.A N LYS 117.A O no hydrogen 3.093 N/A ASN 122.A N VAL 118.A O no hydrogen 3.238 N/A ASN 122.A ND2 VAL 118.A O no hydrogen 2.774 N/A LEU 123.A N ILE 119.A O no hydrogen 2.985 N/A VAL 124.A N ARG 120.A O no hydrogen 3.034 N/A LYS 125.A N LYS 121.A O no hydrogen 3.130 N/A LYS 126.A N ASN 122.A O no hydrogen 2.983 N/A CYS 127.A N LEU 123.A O no hydrogen 2.765 N/A CYS 127.A SG LEU 123.A O no hydrogen 3.313 N/A LEU 128.A N VAL 124.A O no hydrogen 2.855 N/A GLU 129.A N LYS 125.A O no hydrogen 2.956 N/A LEU 130.A N LYS 126.A O no hydrogen 2.861 N/A PHE 131.A N CYS 127.A O no hydrogen 2.860 N/A THR 132.A N LEU 128.A O no hydrogen 2.989 N/A THR 132.A OG1 LEU 128.A O no hydrogen 3.107 N/A GLU 133.A N GLU 129.A O no hydrogen 3.075 N/A LEU 134.A N LEU 130.A O no hydrogen 2.849 N/A ALA 135.A N PHE 131.A O no hydrogen 2.896 N/A GLU 136.A N GLU 133.A O no hydrogen 3.057 N/A ASP 137.A N LEU 134.A O no hydrogen 3.149 N/A GLU 139.A N ASP 137.A OD1 no hydrogen 3.232 N/A TYR 141.A N ASP 137.A O no hydrogen 2.933 N/A TYR 141.A OH LEU 169.A O no hydrogen 2.595 N/A LYS 142.A N LYS 138.A O no hydrogen 3.273 N/A LYS 143.A NZ ASN 140.A OD1 no hydrogen 3.503 N/A PHE 144.A N ASN 140.A O no hydrogen 3.156 N/A TYR 145.A N TYR 141.A O no hydrogen 2.838 N/A TYR 145.A OH ARG 171.A O no hydrogen 2.992 N/A GLU 146.A N LYS 142.A O no hydrogen 2.993 N/A GLN 147.A N PHE 144.A O no hydrogen 3.060 N/A PHE 148.A N PHE 144.A O no hydrogen 2.889 N/A SER 149.A N TYR 145.A O no hydrogen 2.936 N/A LYS 150.A NZ ASP 57.A OD1 no hydrogen 3.272 N/A ASN 151.A ND2 TYR 88.A O no hydrogen 2.835 N/A ILE 152.A N PHE 148.A O no hydrogen 3.188 N/A LYS 153.A N SER 149.A O no hydrogen 3.009 N/A LYS 153.A NZ GLU 230.A OE1 no hydrogen 3.434 N/A LYS 153.A NZ ASP 233.A OD1 no hydrogen 3.052 N/A LYS 153.A NZ ASP 233.A OD2 no hydrogen 3.459 N/A LEU 154.A N LYS 150.A O no hydrogen 2.831 N/A GLY 155.A N ASN 151.A O no hydrogen 2.861 N/A ILE 156.A N ILE 152.A O no hydrogen 2.906 N/A HIS 157.A N LYS 153.A O no hydrogen 3.037 N/A GLU 158.A N LEU 154.A O no hydrogen 2.919 N/A GLU 158.A N GLY 155.A O no hydrogen 3.208 N/A ASP 159.A N GLY 155.A O no hydrogen 2.818 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 3.220 N/A ASN 162.A N ASP 159.A O no hydrogen 3.223 N/A ASN 162.A ND2 ASP 159.A OD1 no hydrogen 3.546 N/A ASN 162.A ND2 ASP 159.A OD2 no hydrogen 2.935 N/A ARG 163.A N SER 160.A O no hydrogen 3.188 N/A ARG 163.A NE ILE 156.A O no hydrogen 2.871 N/A ARG 163.A NH2 ILE 156.A O no hydrogen 3.108 N/A LEU 166.A N ASN 162.A O no hydrogen 2.942 N/A SER 167.A N ARG 163.A O no hydrogen 2.936 N/A SER 167.A OG LYS 164.A O no hydrogen 2.728 N/A GLU 168.A N LYS 164.A O no hydrogen 3.307 N/A GLU 168.A N LYS 165.A O no hydrogen 3.158 N/A LEU 169.A N LEU 166.A O no hydrogen 2.751 N/A LEU 170.A N SER 167.A O no hydrogen 3.322 N/A ARG 171.A N TYR 145.A OH no hydrogen 3.023 N/A ARG 171.A NH1 GLU 168.A O no hydrogen 2.931 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 2.646 N/A TYR 172.A N VAL 182.A O no hydrogen 2.807 N/A THR 174.A N SER 177.A OG no hydrogen 2.988 N/A THR 174.A OG1 GLU 224.A OE2 no hydrogen 2.566 N/A SER 175.A N VAL 225.A O no hydrogen 2.884 N/A SER 175.A OG VAL 225.A O no hydrogen 3.388 N/A ALA 176.A N THR 174.A OG1 no hydrogen 3.057 N/A SER 177.A N THR 174.A O no hydrogen 2.992 N/A SER 177.A OG THR 174.A O no hydrogen 3.193 N/A SER 177.A OG GLU 180.A O no hydrogen 2.741 N/A GLU 180.A N SER 177.A O no hydrogen 3.325 N/A VAL 182.A N TYR 172.A O no hydrogen 2.912 N/A LYS 185.A NZ GLU 244.A OE2 no hydrogen 2.891 N/A ASP 186.A N SER 183.A OG no hydrogen 3.049 N/A TYR 187.A N SER 183.A O no hydrogen 3.070 N/A TYR 187.A OH GLN 195.A OE1 no hydrogen 2.885 N/A TYR 187.A OH GLU 224.A O no hydrogen 2.657 N/A CYS 188.A N LEU 184.A O no hydrogen 2.982 N/A CYS 188.A SG LEU 184.A O no hydrogen 3.265 N/A CYS 188.A SG GLU 244.A OE1 no hydrogen 3.522 N/A THR 189.A N LYS 185.A O no hydrogen 3.171 N/A THR 189.A N ASP 186.A O no hydrogen 3.008 N/A THR 189.A OG1 ASP 186.A O no hydrogen 2.603 N/A ARG 190.A N TYR 187.A O no hydrogen 3.114 N/A ARG 190.A NE GLU 224.A OE1 no hydrogen 2.960 N/A ARG 190.A NH1 GLU 224.A OE2 no hydrogen 3.176 N/A MET 191.A N CYS 188.A O no hydrogen 3.329 N/A GLN 195.A N LYS 192.A O no hydrogen 3.209 N/A ILE 198.A N THR 247.A O no hydrogen 2.708 N/A TYR 199.A N TYR 187.A OH no hydrogen 3.196 N/A TYR 200.A N VAL 249.A O no hydrogen 3.099 N/A ILE 201.A N ILE 226.A O no hydrogen 2.814 N/A GLY 203.A N MET 228.A O no hydrogen 2.859 N/A GLN 208.A N THR 205.A OG1 no hydrogen 2.735 N/A VAL 209.A N THR 205.A O no hydrogen 3.175 N/A ALA 210.A N LYS 206.A O no hydrogen 2.759 N/A ASN 211.A N ASP 207.A O no hydrogen 2.907 N/A SER 212.A N VAL 209.A O no hydrogen 3.212 N/A GLU 216.A N SER 212.A O no hydrogen 3.142 N/A ARG 217.A N ALA 213.A O no hydrogen 2.886 N/A ARG 219.A N VAL 215.A O no hydrogen 2.812 N/A LYS 220.A N GLU 216.A O no hydrogen 3.035 N/A LYS 220.A N ARG 217.A O no hydrogen 3.185 N/A VAL 225.A N SER 175.A OG no hydrogen 2.946 N/A ILE 226.A N TYR 199.A O no hydrogen 2.751 N/A TYR 227.A N TYR 173.A O no hydrogen 2.838 N/A MET 228.A N ILE 201.A O no hydrogen 2.954 N/A GLU 230.A N ASP 233.A OD2 no hydrogen 3.237 N/A ASP 233.A N GLU 230.A O no hydrogen 2.877 N/A GLU 234.A N PRO 231.A O no hydrogen 3.345 N/A CYS 236.A N ILE 232.A O no hydrogen 2.792 N/A VAL 237.A N ASP 233.A O no hydrogen 3.008 N/A GLN 238.A N GLU 234.A O no hydrogen 3.363 N/A LEU 240.A N CYS 236.A O no hydrogen 3.026 N/A PHE 243.A N LYS 246.A O no hydrogen 2.979 N/A LYS 246.A N PHE 243.A O no hydrogen 2.789 N/A LYS 246.A NZ GLN 195.A O no hydrogen 3.139 N/A LEU 248.A N LYS 241.A O no hydrogen 3.236 N/A VAL 249.A N ILE 198.A O no hydrogen 2.747 N/A SER 250.A OG THR 252.A OG1 no hydrogen 2.555 N/A VAL 251.A N TYR 200.A O no hydrogen 3.009 N/A THR 252.A N SER 250.A OG no hydrogen 3.320 N/A THR 252.A OG1 SER 250.A OG no hydrogen 2.555 N/A LYS 253.A N SER 250.A O no hydrogen 3.354 N/A