Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3unb_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N ASP 5.A OD1 no hydrogen 2.994 N/A ARG 7.A NH2 ARG 2.A O no hydrogen 3.108 N/A THR 8.A OG1 LYS 126.A O no hydrogen 2.648 N/A SER 12.A N ARG 16.A O no hydrogen 3.005 N/A SER 12.A OG ARG 16.A O no hydrogen 3.114 N/A GLU 14.A N SER 12.A OG no hydrogen 3.265 N/A GLY 15.A N SER 12.A O no hydrogen 2.807 N/A ARG 16.A N SER 12.A OG no hydrogen 3.051 N/A ARG 16.A NH1 GLU 21.A OE2 no hydrogen 3.108 N/A VAL 20.A N LEU 17.A O no hydrogen 3.280 N/A GLU 21.A N LEU 17.A O no hydrogen 3.205 N/A TYR 22.A N TYR 18.A O no hydrogen 2.782 N/A ALA 23.A N GLN 19.A O no hydrogen 3.130 N/A MET 24.A N VAL 20.A O no hydrogen 2.910 N/A GLU 25.A N GLU 21.A O no hydrogen 3.277 N/A ALA 26.A N ALA 23.A O no hydrogen 2.998 N/A ILE 27.A N ALA 23.A O no hydrogen 3.364 N/A GLY 28.A N MET 24.A O no hydrogen 3.409 N/A HIS 29.A N ALA 26.A O no hydrogen 3.312 N/A HIS 29.A ND1 GLU 25.A O no hydrogen 2.987 N/A ALA 30.A N ILE 27.A O no hydrogen 3.063 N/A THR 32.A N GLU 47.A OE1 no hydrogen 3.073 N/A THR 32.A OG1 GLU 47.A OE1 no hydrogen 2.896 N/A THR 32.A OG1 ASN 165.A O no hydrogen 2.940 N/A CYS 33.A N ILE 163.A O no hydrogen 2.827 N/A CYS 33.A SG SER 74.A OG no hydrogen 3.142 N/A LEU 34.A N ALA 45.A O no hydrogen 2.800 N/A GLY 35.A N THR 161.A O no hydrogen 2.875 N/A ILE 36.A N LEU 43.A O no hydrogen 3.225 N/A LEU 37.A N LYS 159.A O no hydrogen 2.718 N/A ALA 38.A N GLY 41.A O no hydrogen 2.965 N/A ASN 39.A N MET 183.A O no hydrogen 2.769 N/A VAL 42.A N LEU 215.A O no hydrogen 3.101 N/A LEU 43.A N ILE 36.A O no hydrogen 3.294 N/A LEU 44.A N ALA 213.A O no hydrogen 2.938 N/A ALA 45.A N LEU 34.A O no hydrogen 2.906 N/A ALA 46.A N GLU 211.A O no hydrogen 2.773 N/A GLU 47.A N THR 32.A O no hydrogen 2.586 N/A ARG 48.A N LYS 209.A O no hydrogen 2.794 N/A ARG 48.A NH1 VAL 210.A O no hydrogen 3.401 N/A ARG 49.A N GLU 62.A OE2 no hydrogen 2.994 N/A ARG 49.A NH1 HIS 29.A O no hydrogen 2.718 N/A ARG 49.A NH2 HIS 29.A O no hydrogen 3.148 N/A ASN 50.A N GLU 62.A OE1 no hydrogen 3.385 N/A ASN 50.A N GLU 62.A OE2 no hydrogen 3.456 N/A LEU 54.A N HIS 52.A ND1 no hydrogen 3.144 N/A LEU 55.A N HIS 52.A O no hydrogen 3.484 N/A SER 61.A OG ILE 64.A O no hydrogen 3.187 N/A SER 61.A OG GLU 211.A OE1 no hydrogen 3.067 N/A SER 61.A OG GLU 211.A OE2 no hydrogen 3.024 N/A GLU 62.A N GLU 211.A OE2 no hydrogen 2.724 N/A LYS 63.A N GLU 211.A OE1 no hydrogen 2.962 N/A LYS 63.A NZ VAL 75.A O no hydrogen 2.964 N/A ILE 64.A N SER 61.A OG no hydrogen 2.899 N/A TYR 65.A N CYS 73.A O no hydrogen 2.759 N/A TYR 65.A OH ASN 83.A OD1 no hydrogen 3.019 N/A LEU 67.A N MET 71.A O no hydrogen 3.239 N/A ASN 68.A N MET 71.A O no hydrogen 3.232 N/A ALA 72.A N ILE 136.A O no hydrogen 2.852 N/A CYS 73.A N TYR 65.A O no hydrogen 2.842 N/A SER 74.A N LEU 134.A O no hydrogen 2.768 N/A SER 74.A OG LYS 63.A O no hydrogen 3.483 N/A ALA 76.A N SER 132.A O no hydrogen 2.948 N/A ILE 78.A N GLY 130.A O no hydrogen 2.935 N/A SER 80.A OG ASP 81.A OD1 no hydrogen 3.297 N/A ALA 82.A N ILE 78.A O no hydrogen 3.193 N/A ASN 83.A N THR 79.A O no hydrogen 3.267 N/A VAL 84.A N SER 80.A O no hydrogen 3.403 N/A LEU 85.A N ASP 81.A O no hydrogen 3.326 N/A THR 86.A N ALA 82.A O no hydrogen 2.814 N/A THR 86.A OG1 ALA 82.A O no hydrogen 2.814 N/A THR 86.A OG1 ASN 83.A O no hydrogen 3.345 N/A ASN 87.A N ASN 83.A O no hydrogen 3.331 N/A GLU 88.A N VAL 84.A O no hydrogen 3.132 N/A LEU 89.A N LEU 85.A O no hydrogen 2.831 N/A ARG 90.A N THR 86.A O no hydrogen 3.228 N/A ARG 90.A NE LYS 66.A O no hydrogen 2.851 N/A ARG 90.A NH2 LYS 66.A O no hydrogen 3.106 N/A LEU 91.A N ASN 87.A O no hydrogen 3.248 N/A ILE 92.A N GLU 88.A O no hydrogen 2.954 N/A ALA 93.A N LEU 89.A O no hydrogen 3.011 N/A GLN 94.A N ARG 90.A O no hydrogen 3.120 N/A ARG 95.A N LEU 91.A O no hydrogen 2.777 N/A ARG 95.A NH1 GLU 88.A OE1 no hydrogen 3.216 N/A TYR 96.A N ILE 92.A O no hydrogen 3.085 N/A LEU 97.A N ALA 93.A O no hydrogen 3.324 N/A LEU 98.A N GLN 94.A O no hydrogen 2.943 N/A GLN 99.A N ARG 95.A O no hydrogen 3.170 N/A GLN 99.A N TYR 96.A O no hydrogen 3.262 N/A TYR 100.A N TYR 96.A O no hydrogen 2.900 N/A GLN 101.A N LEU 97.A O no hydrogen 3.025 N/A GLN 101.A NE2 LEU 98.A O no hydrogen 3.109 N/A CYS 106.A N ASP 139.A OD2 no hydrogen 2.968 N/A CYS 106.A SG ASP 139.A OD2 no hydrogen 3.349 N/A LEU 109.A N PRO 105.A O no hydrogen 3.227 N/A LEU 109.A N CYS 106.A O no hydrogen 3.148 N/A VAL 110.A N CYS 106.A O no hydrogen 3.200 N/A THR 111.A N GLU 107.A O no hydrogen 3.013 N/A THR 111.A OG1 GLU 107.A O no hydrogen 3.134 N/A THR 111.A OG1 GLN 108.A O no hydrogen 3.118 N/A ALA 112.A N GLN 108.A O no hydrogen 3.366 N/A LEU 113.A N LEU 109.A O no hydrogen 3.376 N/A CYS 114.A N VAL 110.A O no hydrogen 3.033 N/A CYS 114.A SG VAL 110.A O no hydrogen 3.344 N/A CYS 114.A SG SER 149.A OG no hydrogen 3.098 N/A ASP 115.A N THR 111.A O no hydrogen 2.851 N/A LYS 117.A N LEU 113.A O no hydrogen 3.060 N/A LYS 117.A NZ SER 149.A OG no hydrogen 2.767 N/A LYS 117.A NZ ASP 150.A O no hydrogen 2.956 N/A GLN 118.A N CYS 114.A O no hydrogen 2.823 N/A ALA 119.A N ASP 115.A O no hydrogen 3.132 N/A TYR 120.A N ILE 116.A O no hydrogen 3.292 N/A THR 121.A N GLN 118.A O no hydrogen 2.876 N/A THR 121.A OG1 GLN 118.A O no hydrogen 2.441 N/A GLN 122.A N ALA 119.A O no hydrogen 3.117 N/A GLN 122.A NE2 GLN 118.A OE1 no hydrogen 3.394 N/A PHE 123.A N ALA 119.A O no hydrogen 3.087 N/A ARG 127.A NH1 ASP 81.A OD2 no hydrogen 2.530 N/A ARG 127.A NH1 PRO 128.A O no hydrogen 3.060 N/A ARG 127.A NH2 ASP 81.A OD1 no hydrogen 2.860 N/A ARG 127.A NH2 ASP 81.A OD2 no hydrogen 3.097 N/A GLY 130.A N ASP 81.A OD2 no hydrogen 3.325 N/A SER 132.A N ALA 76.A O no hydrogen 2.845 N/A SER 132.A OG SER 149.A O no hydrogen 3.417 N/A LEU 133.A N SER 149.A O no hydrogen 3.248 N/A LEU 134.A N SER 74.A O no hydrogen 3.011 N/A TYR 135.A N TYR 147.A O no hydrogen 2.742 N/A ILE 136.A N ALA 72.A O no hydrogen 2.808 N/A GLY 137.A N GLN 145.A O no hydrogen 3.329 N/A TRP 138.A N ASP 70.A O no hydrogen 3.173 N/A ASP 139.A N GLY 143.A O no hydrogen 3.376 N/A LYS 140.A NZ GLU 102.A OE1 no hydrogen 3.367 N/A LYS 140.A NZ GLU 102.A OE2 no hydrogen 3.181 N/A HIS 141.A N ASP 139.A OD1 no hydrogen 2.937 N/A TYR 142.A N ASP 139.A OD1 no hydrogen 2.909 N/A GLY 143.A N ASP 139.A O no hydrogen 3.266 N/A GLN 145.A N GLY 137.A O no hydrogen 2.879 N/A GLN 145.A NE2 ASP 139.A OD1 no hydrogen 3.107 N/A GLN 145.A NE2 ASP 139.A OD2 no hydrogen 2.877 N/A GLN 145.A NE2 GLY 143.A O no hydrogen 2.887 N/A TYR 147.A N TYR 135.A O no hydrogen 2.949 N/A TYR 147.A OH GLN 145.A OE1 no hydrogen 2.779 N/A GLN 148.A N GLY 156.A O no hydrogen 2.759 N/A SER 149.A N LEU 133.A O no hydrogen 2.825 N/A ASP 150.A N ASN 154.A O no hydrogen 2.798 N/A GLY 153.A N ASP 150.A O no hydrogen 3.301 N/A ASN 154.A N SER 152.A OG no hydrogen 3.341 N/A TYR 155.A OH GLU 107.A OE2 no hydrogen 2.857 N/A GLY 156.A N GLN 148.A O no hydrogen 3.010 N/A TRP 158.A N LEU 146.A O no hydrogen 2.778 N/A LYS 159.A NZ GLU 180.A OE2 no hydrogen 3.468 N/A THR 161.A N GLY 35.A O no hydrogen 3.005 N/A THR 161.A OG1 GLN 148.A OE1 no hydrogen 2.538 N/A CYS 162.A SG CYS 33.A O no hydrogen 3.603 N/A ILE 163.A N CYS 33.A O no hydrogen 2.714 N/A ASN 165.A N ALA 30.A O no hydrogen 3.043 N/A ASN 166.A ND2 THR 199.A O no hydrogen 3.131 N/A SER 167.A OG CYS 162.A O no hydrogen 2.892 N/A ALA 170.A N ASN 166.A O no hydrogen 3.040 N/A VAL 171.A N SER 167.A O no hydrogen 3.072 N/A SER 172.A N ALA 168.A O no hydrogen 3.438 N/A SER 172.A OG ALA 169.A O no hydrogen 3.307 N/A LEU 174.A N ALA 170.A O no hydrogen 2.962 N/A LYS 175.A N VAL 171.A O no hydrogen 2.955 N/A TYR 178.A N LEU 174.A O no hydrogen 3.191 N/A TYR 178.A OH LEU 37.A O no hydrogen 2.725 N/A GLU 182.A N LYS 179.A O no hydrogen 3.337 N/A THR 184.A N SER 187.A OG no hydrogen 2.839 N/A THR 184.A OG1 ASP 40.A OD1 no hydrogen 3.090 N/A LEU 185.A N ASP 40.A OD1 no hydrogen 2.727 N/A SER 187.A OG THR 184.A O no hydrogen 2.781 N/A ALA 188.A N THR 184.A O no hydrogen 2.828 N/A LEU 189.A N LEU 185.A O no hydrogen 2.969 N/A ALA 190.A N LYS 186.A O no hydrogen 3.203 N/A LEU 191.A N SER 187.A O no hydrogen 3.213 N/A ALA 192.A N ALA 188.A O no hydrogen 3.057 N/A VAL 193.A N LEU 189.A O no hydrogen 3.186 N/A LYS 194.A N ALA 190.A O no hydrogen 3.315 N/A LYS 194.A NZ ASP 177.A OD1 no hydrogen 3.136 N/A VAL 195.A N LEU 191.A O no hydrogen 3.012 N/A LEU 196.A N ALA 192.A O no hydrogen 3.265 N/A ASN 197.A N VAL 193.A O no hydrogen 3.070 N/A ASN 197.A N LYS 194.A O no hydrogen 3.248 N/A LYS 198.A N LYS 194.A O no hydrogen 3.415 N/A THR 199.A N VAL 195.A O no hydrogen 3.196 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.983 N/A THR 199.A OG1 LEU 196.A O no hydrogen 3.493 N/A MET 200.A N LEU 196.A O no hydrogen 3.036 N/A LYS 204.A N VAL 202.A O no hydrogen 2.831 N/A ALA 207.A N GLU 233.A OE1 no hydrogen 3.271 N/A LYS 209.A N SER 206.A O no hydrogen 3.158 N/A VAL 210.A N ALA 207.A O no hydrogen 3.457 N/A ALA 213.A N LEU 44.A O no hydrogen 2.990 N/A THR 214.A N ARG 225.A O no hydrogen 2.742 N/A THR 214.A OG1 ARG 225.A O no hydrogen 3.316 N/A LEU 215.A N VAL 42.A O no hydrogen 2.769 N/A THR 216.A N VAL 223.A O no hydrogen 2.898 N/A ARG 217.A NH2 THR 222.A OG1 no hydrogen 2.990 N/A GLU 218.A N LYS 221.A O no hydrogen 2.768 N/A LYS 221.A N GLU 218.A O no hydrogen 3.261 N/A THR 222.A OG1 ASP 70.A OD1 no hydrogen 2.708 N/A VAL 223.A N THR 216.A O no hydrogen 2.730 N/A ARG 225.A N THR 214.A O no hydrogen 2.856 N/A ARG 225.A NH1 GLU 231.A OE2 no hydrogen 2.827 N/A LEU 227.A N ILE 212.A O no hydrogen 2.887 N/A LYS 228.A N GLU 231.A OE1 no hydrogen 3.064 N/A GLN 229.A NE2 GLU 208.A OE1 no hydrogen 3.399 N/A GLU 231.A N LYS 228.A O no hydrogen 2.874 N/A VAL 232.A N LYS 228.A O no hydrogen 3.106 N/A GLU 233.A N GLN 229.A O no hydrogen 2.871 N/A GLN 234.A N LYS 230.A O no hydrogen 3.408 N/A LEU 235.A N GLU 231.A O no hydrogen 3.283 N/A ILE 236.A N VAL 232.A O no hydrogen 3.088 N/A LYS 237.A N GLU 233.A O no hydrogen 3.078 N/A LYS 238.A N GLN 234.A O no hydrogen 3.359 N/A HIS 239.A N LEU 235.A O no hydrogen 3.377 N/A GLU 240.A N ILE 236.A O no hydrogen 2.855 N/A GLU 242.A N HIS 239.A O no hydrogen 3.087 N/A LYS 245.A N GLU 242.A O no hydrogen 3.313 N/A