Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLN 5.A OE1 no hydrogen 3.303 N/A ARG 3.A NE GLU 40.A OE2 no hydrogen 3.029 N/A ARG 3.A NH2 PRO 35.A O no hydrogen 3.381 N/A ARG 3.A NH2 GLU 40.A OE1 no hydrogen 2.398 N/A GLN 5.A N ASP 2.A O no hydrogen 3.058 N/A LEU 6.A N ASP 2.A O no hydrogen 3.271 N/A VAL 7.A N ARG 3.A O no hydrogen 3.324 N/A GLN 8.A N GLU 4.A O no hydrogen 3.200 N/A LYS 9.A N GLN 5.A O no hydrogen 2.757 N/A ALA 10.A N LEU 6.A O no hydrogen 2.831 N/A ARG 11.A N VAL 7.A O no hydrogen 2.935 N/A ARG 11.A NE GLU 39.A OE2 no hydrogen 2.553 N/A ARG 11.A NH2 GLU 39.A OE1 no hydrogen 2.554 N/A ARG 11.A NH2 GLU 39.A OE2 no hydrogen 3.090 N/A LEU 12.A N GLN 8.A O no hydrogen 3.013 N/A ALA 13.A N LYS 9.A O no hydrogen 2.783 N/A GLU 14.A N ALA 10.A O no hydrogen 3.025 N/A GLN 15.A N ARG 11.A O no hydrogen 3.187 N/A ALA 16.A N LEU 12.A O no hydrogen 2.934 N/A GLU 17.A N GLU 14.A O no hydrogen 2.943 N/A ARG 18.A N ALA 13.A O no hydrogen 2.889 N/A ARG 18.A NE ASP 21.A OD2 no hydrogen 2.705 N/A ARG 18.A NH2 ASP 21.A OD2 no hydrogen 2.846 N/A MET 22.A N ARG 18.A O no hydrogen 3.067 N/A ALA 23.A N TYR 19.A O no hydrogen 2.749 N/A ALA 24.A N ASP 20.A O no hydrogen 2.819 N/A ALA 25.A N ASP 21.A O no hydrogen 2.917 N/A MET 26.A N MET 22.A O no hydrogen 3.043 N/A LYS 27.A N ALA 23.A O no hydrogen 2.812 N/A LYS 27.A NZ ASP 98.A OD1 no hydrogen 2.770 N/A ASN 28.A N ALA 24.A O no hydrogen 3.109 N/A VAL 29.A N ALA 25.A O no hydrogen 3.072 N/A THR 30.A N MET 26.A O no hydrogen 2.743 N/A THR 30.A OG1 MET 26.A O no hydrogen 3.095 N/A GLU 31.A N LYS 27.A O no hydrogen 2.942 N/A LEU 32.A N VAL 29.A O no hydrogen 2.965 N/A ASN 33.A N THR 30.A O no hydrogen 3.174 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.958 N/A GLU 40.A N SER 37.A OG no hydrogen 2.985 N/A ARG 41.A N SER 37.A O no hydrogen 2.898 N/A ASN 42.A N ASN 38.A O no hydrogen 3.142 N/A ASN 42.A N GLU 39.A O no hydrogen 3.058 N/A LEU 43.A N GLU 39.A O no hydrogen 2.957 N/A LEU 44.A N GLU 40.A O no hydrogen 2.909 N/A SER 45.A N ARG 41.A O no hydrogen 3.114 N/A VAL 46.A N ASN 42.A O no hydrogen 2.835 N/A ALA 47.A N LEU 43.A O no hydrogen 3.038 N/A TYR 48.A N LEU 44.A O no hydrogen 3.320 N/A TYR 48.A OH ASP 98.A OD2 no hydrogen 2.730 N/A LYS 49.A N SER 45.A O no hydrogen 2.990 N/A ASN 50.A N VAL 46.A O no hydrogen 3.069 N/A ASN 50.A ND2 VAL 46.A O no hydrogen 2.541 N/A VAL 51.A N ALA 47.A O no hydrogen 2.941 N/A VAL 52.A N TYR 48.A O no hydrogen 2.962 N/A GLY 53.A N LYS 49.A O no hydrogen 2.944 N/A ALA 54.A N ASN 50.A O no hydrogen 3.036 N/A ARG 55.A NE GLU 91.A OE1 no hydrogen 3.068 N/A ARG 55.A NH1 VAL 51.A O no hydrogen 3.260 N/A ARG 55.A NH2 GLU 91.A OE1 no hydrogen 3.290 N/A ARG 56.A N VAL 52.A O no hydrogen 2.900 N/A ARG 56.A NE GLU 135.A OE1 no hydrogen 3.185 N/A ARG 56.A NH2 GLU 135.A OE1 no hydrogen 3.415 N/A ARG 56.A NH2 GLU 135.A OE2 no hydrogen 2.925 N/A SER 57.A N GLY 53.A O no hydrogen 2.920 N/A SER 58.A N ALA 54.A O no hydrogen 3.089 N/A SER 58.A OG ALA 54.A O no hydrogen 3.221 N/A TRP 59.A N ARG 55.A O no hydrogen 2.814 N/A ARG 60.A N ARG 56.A O no hydrogen 3.088 N/A VAL 61.A N SER 57.A O no hydrogen 3.237 N/A ILE 62.A N SER 58.A O no hydrogen 2.901 N/A SER 63.A N TRP 59.A O no hydrogen 2.644 N/A SER 64.A N ARG 60.A O no hydrogen 2.807 N/A ILE 65.A N VAL 61.A O no hydrogen 3.245 N/A GLU 66.A N ILE 62.A O no hydrogen 3.213 N/A GLU 66.A N SER 63.A O no hydrogen 3.252 N/A GLN 67.A N SER 63.A O no hydrogen 3.453 N/A LYS 68.A N SER 64.A O no hydrogen 3.344 N/A THR 69.A N ILE 65.A O no hydrogen 2.933 N/A THR 69.A OG1 ILE 65.A O no hydrogen 3.161 N/A SER 70.A N GLU 66.A O no hydrogen 2.926 N/A ASP 72.A N THR 69.A O no hydrogen 3.151 N/A GLY 73.A N THR 69.A O no hydrogen 3.488 N/A LYS 76.A N ASN 74.A OD1 no hydrogen 2.729 N/A LYS 77.A N ASN 74.A OD1 no hydrogen 3.132 N/A ILE 78.A N ASN 74.A O no hydrogen 3.248 N/A MET 80.A N LYS 77.A O no hydrogen 3.260 N/A VAL 81.A N LYS 77.A O no hydrogen 3.294 N/A ARG 82.A N ILE 78.A O no hydrogen 3.241 N/A ARG 82.A NE GLU 79.A OE1 no hydrogen 3.337 N/A ARG 82.A NH1 GLU 86.A OE1 no hydrogen 2.521 N/A ARG 82.A NH2 GLU 79.A OE2 no hydrogen 3.328 N/A ALA 83.A N GLU 79.A O no hydrogen 3.163 N/A TYR 84.A N MET 80.A O no hydrogen 2.899 N/A ARG 85.A N VAL 81.A O no hydrogen 2.892 N/A ARG 85.A NE GLU 89.A OE2 no hydrogen 2.823 N/A ARG 85.A NH2 GLU 66.A OE1 no hydrogen 2.887 N/A GLU 86.A N ARG 82.A O no hydrogen 3.053 N/A LYS 87.A N ALA 83.A O no hydrogen 2.849 N/A ILE 88.A N TYR 84.A O no hydrogen 3.033 N/A GLU 89.A N ARG 85.A O no hydrogen 2.748 N/A LYS 90.A N GLU 86.A O no hydrogen 3.138 N/A GLU 91.A N LYS 87.A O no hydrogen 3.329 N/A LEU 92.A N ILE 88.A O no hydrogen 2.977 N/A GLU 93.A N GLU 89.A O no hydrogen 2.835 N/A ALA 94.A N LYS 90.A O no hydrogen 3.154 N/A VAL 95.A N GLU 91.A O no hydrogen 2.982 N/A CYS 96.A N LEU 92.A O no hydrogen 2.946 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.438 N/A CYS 96.A SG TYR 129.A O no hydrogen 3.789 N/A GLN 97.A N GLU 93.A O no hydrogen 2.773 N/A ASP 98.A N ALA 94.A O no hydrogen 3.039 N/A VAL 99.A N VAL 95.A O no hydrogen 3.070 N/A LEU 100.A N CYS 96.A O no hydrogen 2.986 N/A SER 101.A N GLN 97.A O no hydrogen 3.103 N/A SER 101.A N ASP 98.A O no hydrogen 3.157 N/A SER 101.A OG ASN 105.A OD1 no hydrogen 3.033 N/A LEU 102.A N ASP 98.A O no hydrogen 3.074 N/A LEU 103.A N VAL 99.A O no hydrogen 2.920 N/A ASP 104.A N LEU 100.A O no hydrogen 2.828 N/A ASN 105.A N SER 101.A O no hydrogen 2.874 N/A TYR 106.A N LEU 102.A O no hydrogen 2.856 N/A LEU 107.A N LEU 102.A O no hydrogen 3.056 N/A ILE 108.A N LEU 103.A O no hydrogen 2.928 N/A ASN 110.A N LEU 107.A O no hydrogen 3.328 N/A ASN 110.A ND2 ASN 33.A O no hydrogen 3.250 N/A ASN 110.A ND2 ASN 33.A OD1 no hydrogen 2.903 N/A CYS 111.A N ILE 108.A O no hydrogen 3.274 N/A CYS 111.A SG LEU 107.A O no hydrogen 3.528 N/A CYS 111.A SG ILE 108.A O no hydrogen 3.764 N/A SER 112.A N GLN 115.A OE1 no hydrogen 2.184 N/A SER 112.A OG GLN 115.A OE1 no hydrogen 3.092 N/A GLN 115.A N SER 112.A O no hydrogen 3.017 N/A LYS 119.A N GLN 115.A O no hydrogen 3.139 N/A VAL 120.A N TYR 116.A O no hydrogen 3.034 N/A PHE 121.A N GLU 117.A O no hydrogen 3.015 N/A TYR 122.A N SER 118.A O no hydrogen 2.981 N/A LEU 123.A N LYS 119.A O no hydrogen 2.949 N/A LYS 124.A N VAL 120.A O no hydrogen 3.110 N/A LYS 124.A NZ ASP 128.A OD2 no hydrogen 3.054 N/A MET 125.A N PHE 121.A O no hydrogen 3.154 N/A LYS 126.A N TYR 122.A O no hydrogen 3.005 N/A LYS 126.A NZ ASP 104.A OD1 no hydrogen 2.900 N/A GLY 127.A N LEU 123.A O no hydrogen 2.729 N/A ASP 128.A N LYS 124.A O no hydrogen 2.703 N/A TYR 129.A N MET 125.A O no hydrogen 2.920 N/A TYR 129.A N LYS 126.A O no hydrogen 3.234 N/A TYR 130.A N LYS 126.A O no hydrogen 3.103 N/A ARG 131.A N GLY 127.A O no hydrogen 3.130 N/A ARG 131.A NE TYR 153.A OH no hydrogen 2.929 N/A ARG 131.A NH2 ASP 128.A OD1 no hydrogen 2.801 N/A ARG 131.A NH2 TYR 153.A OH no hydrogen 3.197 N/A TYR 132.A N ASP 128.A O no hydrogen 2.970 N/A LEU 133.A N TYR 129.A O no hydrogen 3.192 N/A ALA 134.A N TYR 130.A O no hydrogen 2.989 N/A GLU 135.A N ARG 131.A O no hydrogen 3.068 N/A VAL 136.A N LEU 133.A O no hydrogen 3.218 N/A ALA 137.A N LEU 133.A O no hydrogen 3.086 N/A LYS 141.A NZ GLU 93.A OE1 no hydrogen 2.982 N/A LYS 141.A NZ GLU 93.A OE2 no hydrogen 3.069 N/A ARG 142.A N THR 138.A O no hydrogen 3.006 N/A ARG 142.A NH1 ILE 185.A O no hydrogen 3.554 N/A ARG 142.A NH2 ILE 185.A O no hydrogen 3.073 N/A ALA 143.A N GLY 139.A O no hydrogen 3.170 N/A THR 144.A N GLU 140.A O no hydrogen 2.999 N/A THR 144.A OG1 GLU 140.A O no hydrogen 2.880 N/A VAL 145.A N LYS 141.A O no hydrogen 3.144 N/A VAL 146.A N ARG 142.A O no hydrogen 2.810 N/A GLU 147.A N ALA 143.A O no hydrogen 3.016 N/A SER 148.A N THR 144.A O no hydrogen 3.144 N/A SER 148.A OG THR 144.A O no hydrogen 2.984 N/A SER 149.A N VAL 145.A O no hydrogen 2.769 N/A SER 149.A OG GLY 127.A O no hydrogen 2.955 N/A GLU 150.A N VAL 146.A O no hydrogen 2.972 N/A LYS 151.A N GLU 147.A O no hydrogen 2.893 N/A ALA 152.A N SER 148.A O no hydrogen 3.173 N/A TYR 153.A N SER 149.A O no hydrogen 2.915 N/A TYR 153.A OH ASP 128.A OD1 no hydrogen 2.676 N/A SER 154.A N GLU 150.A O no hydrogen 2.870 N/A ALA 156.A N ALA 152.A O no hydrogen 3.130 N/A HIS 157.A N TYR 153.A O no hydrogen 2.914 N/A GLU 158.A N SER 154.A O no hydrogen 3.287 N/A ILE 159.A N GLU 155.A O no hydrogen 3.149 N/A SER 160.A N ALA 156.A O no hydrogen 2.980 N/A SER 160.A OG HIS 157.A O no hydrogen 2.952 N/A LYS 161.A N HIS 157.A O no hydrogen 2.980 N/A LYS 161.A NZ HIS 157.A NE2 no hydrogen 3.500 N/A GLU 162.A N GLU 158.A O no hydrogen 3.260 N/A HIS 163.A N ILE 159.A O no hydrogen 2.983 N/A MET 164.A N SER 160.A O no hydrogen 2.915 N/A THR 167.A OG1 THR 209.A OG1 no hydrogen 2.624 N/A HIS 168.A N GLN 165.A O no hydrogen 2.757 N/A HIS 168.A NE2 GLU 117.A OE2 no hydrogen 2.925 N/A ILE 170.A N HIS 168.A ND1 no hydrogen 3.132 N/A ARG 171.A NH1 SER 160.A O no hydrogen 3.507 N/A ARG 171.A NH1 MET 164.A O no hydrogen 3.111 N/A LEU 172.A N HIS 168.A O no hydrogen 2.864 N/A GLY 173.A N PRO 169.A O no hydrogen 2.875 N/A LEU 174.A N ILE 170.A O no hydrogen 3.065 N/A ALA 175.A N ARG 171.A O no hydrogen 3.123 N/A LEU 176.A N LEU 172.A O no hydrogen 3.008 N/A ASN 177.A N GLY 173.A O no hydrogen 3.056 N/A ASN 177.A ND2 ASP 128.A OD1 no hydrogen 2.960 N/A ASN 177.A ND2 ASP 128.A OD2 no hydrogen 3.560 N/A TYR 178.A N LEU 174.A O no hydrogen 2.906 N/A SER 179.A N ALA 175.A O no hydrogen 2.892 N/A SER 179.A OG ALA 175.A O no hydrogen 3.418 N/A SER 179.A OG LEU 176.A O no hydrogen 2.935 N/A VAL 180.A N LEU 176.A O no hydrogen 3.192 N/A PHE 181.A N ASN 177.A O no hydrogen 3.058 N/A TYR 182.A N TYR 178.A O no hydrogen 3.233 N/A TYR 183.A N SER 179.A O no hydrogen 3.113 N/A GLU 184.A N VAL 180.A O no hydrogen 2.877 N/A ILE 185.A N PHE 181.A O no hydrogen 3.103 N/A GLN 186.A N PHE 181.A O no hydrogen 3.097 N/A ALA 188.A N TYR 182.A O no hydrogen 2.834 N/A ALA 192.A N ALA 188.A O no hydrogen 3.001 N/A CYS 193.A N PRO 189.A O no hydrogen 2.882 N/A CYS 193.A SG PRO 189.A O no hydrogen 3.498 N/A HIS 194.A N GLU 190.A O no hydrogen 3.007 N/A LEU 195.A N GLN 191.A O no hydrogen 3.372 N/A ALA 196.A N ALA 192.A O no hydrogen 2.924 N/A LYS 197.A N CYS 193.A O no hydrogen 2.860 N/A LYS 197.A NZ ASP 201.A OD1 no hydrogen 3.486 N/A LYS 197.A NZ ASP 201.A OD2 no hydrogen 2.596 N/A THR 198.A N HIS 194.A O no hydrogen 2.952 N/A THR 198.A OG1 HIS 194.A O no hydrogen 2.684 N/A ALA 199.A N LEU 195.A O no hydrogen 3.273 N/A PHE 200.A N ALA 196.A O no hydrogen 3.124 N/A ASP 201.A N LYS 197.A O no hydrogen 2.770 N/A ASP 202.A N THR 198.A O no hydrogen 2.827 N/A ALA 203.A N ALA 199.A O no hydrogen 3.146 N/A ILE 204.A N PHE 200.A O no hydrogen 2.934 N/A ALA 205.A N ASP 201.A O no hydrogen 2.939 N/A GLU 206.A N ALA 203.A O no hydrogen 3.098 N/A LEU 207.A N ILE 204.A O no hydrogen 3.091 N/A THR 209.A N GLU 206.A O no hydrogen 2.917 N/A THR 209.A OG1 THR 167.A OG1 no hydrogen 2.624 N/A THR 209.A OG1 GLU 206.A O no hydrogen 2.891 N/A LEU 210.A N LEU 207.A O no hydrogen 3.206 N/A SER 214.A N ASN 211.A OD1 no hydrogen 3.081 N/A SER 214.A OG ASN 211.A OD1 no hydrogen 2.978 N/A SER 218.A OG THR 167.A O no hydrogen 2.282 N/A THR 219.A N TYR 215.A O no hydrogen 2.625 N/A THR 219.A OG1 TYR 215.A O no hydrogen 2.591 N/A THR 219.A OG1 LYS 216.A O no hydrogen 3.200 N/A LEU 220.A N LYS 216.A O no hydrogen 3.121 N/A ILE 221.A N ASP 217.A O no hydrogen 3.280 N/A MET 222.A N SER 218.A O no hydrogen 3.107 N/A GLN 223.A N THR 219.A O no hydrogen 2.992 N/A LEU 224.A N LEU 220.A O no hydrogen 2.997 N/A LEU 224.A N ILE 221.A O no hydrogen 2.945 N/A LEU 225.A N ILE 221.A O no hydrogen 2.976 N/A ARG 226.A N MET 222.A O no hydrogen 3.188 N/A ASP 227.A N GLN 223.A O no hydrogen 3.084 N/A ASN 228.A N LEU 224.A O no hydrogen 2.779 N/A LEU 229.A N LEU 225.A O no hydrogen 3.068 N/A THR 230.A N ARG 226.A O no hydrogen 2.936 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.904 N/A LEU 231.A N ASP 227.A O no hydrogen 3.103 N/A TRP 232.A N ASN 228.A O no hydrogen 2.627 N/A THR 233.A N LEU 229.A O no hydrogen 2.898 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.884 N/A THR 233.A OG1 THR 230.A O no hydrogen 3.125 N/A SER 234.A N THR 230.A O no hydrogen 2.926 N/A ASP 235.A N LEU 231.A O no hydrogen 3.398 N/A