Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pi4_DDD.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 75.A O no hydrogen 3.375 N/A ARG 5.A NH2 PRO 80.A O no hydrogen 2.427 N/A ARG 7.A N GLN 4.A O no hydrogen 2.693 N/A ARG 7.A NE MET 28.A O no hydrogen 3.209 N/A ARG 7.A NH1 TYR 27.A OH no hydrogen 3.476 N/A ILE 8.A N ARG 5.A O no hydrogen 3.074 N/A GLU 9.A N ILE 26.A O no hydrogen 3.120 N/A GLY 11.A N GLN 24.A O no hydrogen 2.774 N/A CYS 13.A SG GLY 15.A O no hydrogen 3.324 N/A CYS 13.A SG VAL 22.A O no hydrogen 3.503 N/A ILE 14.A N VAL 22.A O no hydrogen 2.918 N/A GLY 17.A N GLY 20.A O no hydrogen 2.803 N/A VAL 22.A N GLY 15.A O no hydrogen 2.644 N/A HIS 23.A N ILE 39.A O no hydrogen 2.777 N/A HIS 23.A ND1 GLY 11.A O no hydrogen 3.121 N/A GLN 24.A N ARG 12.A O no hydrogen 2.925 N/A ILE 26.A N GLU 9.A O no hydrogen 3.177 N/A TYR 27.A N LEU 35.A O no hydrogen 2.727 N/A MET 28.A N ARG 7.A O no hydrogen 3.331 N/A SER 29.A OG ASN 32.A O no hydrogen 3.140 N/A ASN 32.A N SER 29.A OG no hydrogen 3.001 N/A LEU 35.A N TYR 27.A O no hydrogen 2.920 N/A VAL 37.A N GLY 25.A O no hydrogen 2.907 N/A ALA 38.A N MET 85.A O no hydrogen 2.716 N/A ILE 39.A N HIS 23.A O no hydrogen 2.694 N/A LYS 40.A N ILE 83.A O no hydrogen 2.826 N/A LYS 40.A NZ GLU 57.A OE1 no hydrogen 2.722 N/A LYS 40.A NZ ASP 150.A OD2 no hydrogen 2.584 N/A THR 41.A N ASP 21.A O no hydrogen 3.183 N/A THR 41.A OG1 ASP 21.A O no hydrogen 2.727 N/A CYS 42.A SG ASN 44.A O no hydrogen 3.379 N/A LYS 43.A N PHE 19.A O no hydrogen 3.488 N/A ARG 51.A N THR 46.A O no hydrogen 2.853 N/A ARG 51.A NH1 THR 77.A O no hydrogen 2.297 N/A ARG 51.A NH1 THR 77.A OG1 no hydrogen 2.986 N/A PHE 54.A N VAL 50.A O no hydrogen 3.158 N/A LEU 55.A N ARG 51.A O no hydrogen 3.108 N/A GLN 56.A N GLU 52.A O no hydrogen 2.846 N/A GLU 57.A N PHE 54.A O no hydrogen 3.242 N/A LEU 59.A N LEU 55.A O no hydrogen 3.037 N/A THR 60.A N GLN 56.A O no hydrogen 2.877 N/A THR 60.A OG1 GLN 56.A O no hydrogen 3.209 N/A ARG 62.A N ALA 58.A O no hydrogen 2.876 N/A GLN 63.A N LEU 59.A O no hydrogen 3.305 N/A GLN 63.A NE2 THR 60.A O no hydrogen 2.768 N/A PHE 64.A N MET 61.A O no hydrogen 3.122 N/A ASP 65.A N TYR 122.A OH no hydrogen 2.966 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.018 N/A HIS 68.A ND1 VAL 146.A O no hydrogen 2.886 N/A ILE 69.A N HIS 66.A O no hydrogen 3.243 N/A VAL 70.A N LEU 148.A O no hydrogen 3.186 N/A LYS 71.A N GLU 86.A OE1 no hydrogen 3.156 N/A ILE 73.A N ILE 84.A O no hydrogen 2.822 N/A GLY 74.A N ILE 84.A O no hydrogen 3.225 N/A ILE 76.A N TRP 82.A O no hydrogen 2.918 N/A THR 77.A N GLU 2.A OE1 no hydrogen 2.763 N/A TRP 82.A N ILE 76.A O no hydrogen 3.192 N/A ILE 83.A N LYS 40.A O no hydrogen 2.795 N/A ILE 84.A N GLY 74.A O no hydrogen 2.745 N/A MET 85.A N ALA 38.A O no hydrogen 2.755 N/A GLU 86.A N LYS 71.A O no hydrogen 3.072 N/A LEU 87.A N ALA 36.A O no hydrogen 3.319 N/A CYS 88.A SG SER 141.A OG no hydrogen 3.565 N/A LEU 90.A N VAL 140.A O no hydrogen 3.059 N/A GLY 91.A N CYS 88.A O no hydrogen 3.168 N/A LEU 93.A N VAL 138.A O no hydrogen 3.089 N/A ARG 94.A NE GLY 196.A O no hydrogen 3.141 N/A ARG 94.A NH2 GLY 196.A O no hydrogen 2.642 N/A SER 95.A OG GLU 92.A OE1 no hydrogen 2.752 N/A PHE 96.A N GLU 92.A O no hydrogen 3.182 N/A LEU 97.A N LEU 93.A O no hydrogen 2.816 N/A GLN 98.A N ARG 94.A O no hydrogen 3.210 N/A GLN 98.A NE2 HIS 195.A O no hydrogen 2.953 N/A VAL 99.A N SER 95.A O no hydrogen 3.027 N/A ARG 100.A N PHE 96.A O no hydrogen 3.035 N/A LYS 101.A N GLN 98.A O no hydrogen 3.023 N/A SER 103.A N ARG 100.A O no hydrogen 3.092 N/A SER 103.A OG ARG 100.A O no hydrogen 3.425 N/A LEU 104.A N ARG 100.A O no hydrogen 2.849 N/A ASP 105.A N ASP 105.A OD1 no hydrogen 2.576 N/A SER 108.A OG ASP 105.A OD1 no hydrogen 2.887 N/A SER 108.A OG ASP 105.A OD2 no hydrogen 3.508 N/A LEU 109.A N ASP 105.A O no hydrogen 3.414 N/A ILE 110.A N LEU 106.A O no hydrogen 2.893 N/A LEU 111.A N ALA 107.A O no hydrogen 2.843 N/A TYR 112.A N SER 108.A O no hydrogen 3.011 N/A TYR 112.A OH ASN 143.A O no hydrogen 2.511 N/A ALA 113.A N LEU 109.A O no hydrogen 3.206 N/A TYR 114.A N ILE 110.A O no hydrogen 2.857 N/A GLN 115.A N LEU 111.A O no hydrogen 2.880 N/A GLN 115.A NE2 ASP 144.A O no hydrogen 2.800 N/A LEU 116.A N TYR 112.A O no hydrogen 3.066 N/A SER 117.A N ALA 113.A O no hydrogen 2.945 N/A SER 117.A OG TYR 114.A O no hydrogen 2.390 N/A THR 118.A N TYR 114.A O no hydrogen 3.007 N/A THR 118.A OG1 GLN 115.A O no hydrogen 2.634 N/A ALA 119.A N GLN 115.A O no hydrogen 3.182 N/A LEU 120.A N LEU 116.A O no hydrogen 2.914 N/A LEU 120.A N SER 117.A O no hydrogen 3.144 N/A ALA 121.A N SER 117.A O no hydrogen 2.888 N/A TYR 122.A N THR 118.A O no hydrogen 3.098 N/A LEU 123.A N ALA 119.A O no hydrogen 3.018 N/A GLU 124.A N LEU 120.A O no hydrogen 3.018 N/A SER 125.A N ALA 121.A O no hydrogen 3.174 N/A SER 125.A OG TYR 122.A O no hydrogen 2.568 N/A LYS 126.A N TYR 122.A O no hydrogen 3.249 N/A LYS 126.A N LEU 123.A O no hydrogen 3.130 N/A ARG 127.A N GLU 124.A O no hydrogen 2.924 N/A PHE 128.A N LEU 123.A O no hydrogen 2.932 N/A HIS 130.A N ASP 181.A OD2 no hydrogen 2.962 N/A ARG 131.A N ASP 181.A OD1 no hydrogen 3.112 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.038 N/A ALA 135.A N GLU 191.A OE2 no hydrogen 2.960 N/A ARG 136.A NH1 ASN 137.A OD1 no hydrogen 2.966 N/A ARG 136.A NH1 LEU 153.A O no hydrogen 3.112 N/A ASN 137.A N ALA 134.A O no hydrogen 2.989 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.713 N/A ASN 137.A ND2 SER 154.A O no hydrogen 3.150 N/A VAL 138.A N ALA 135.A O no hydrogen 2.917 N/A LEU 139.A N LYS 147.A O no hydrogen 2.824 N/A VAL 140.A N GLY 91.A O no hydrogen 2.865 N/A SER 141.A N CYS 145.A O no hydrogen 2.869 N/A SER 142.A N CYS 145.A O no hydrogen 3.369 N/A SER 142.A OG ASP 144.A OD1 no hydrogen 2.433 N/A ASP 144.A N SER 142.A OG no hydrogen 3.326 N/A CYS 145.A N SER 142.A O no hydrogen 3.342 N/A CYS 145.A SG HIS 68.A ND1 no hydrogen 3.608 N/A CYS 145.A SG VAL 146.A O no hydrogen 3.995 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 3.080 N/A LYS 147.A N LEU 139.A O no hydrogen 2.829 N/A LYS 147.A NZ PRO 67.A O no hydrogen 3.252 N/A LYS 147.A NZ GLU 86.A OE1 no hydrogen 3.301 N/A LYS 147.A NZ GLU 86.A OE2 no hydrogen 2.450 N/A LEU 148.A N HIS 68.A O no hydrogen 2.948 N/A GLY 149.A N ASN 137.A O no hydrogen 2.930 N/A LEU 153.A N ASP 150.A OD2 no hydrogen 2.973 N/A SER 154.A N ASP 150.A O no hydrogen 2.949 N/A SER 154.A N PHE 151.A O no hydrogen 3.197 N/A SER 154.A OG ASP 150.A O no hydrogen 2.661 N/A ARG 155.A N GLY 152.A O no hydrogen 3.455 N/A ARG 155.A NH1 HIS 130.A O no hydrogen 2.533 N/A ARG 155.A NH1 ASP 132.A OD2 no hydrogen 3.119 N/A TYR 156.A N ASP 132.A OD1 no hydrogen 3.074 N/A ILE 163.A N LEU 161.A O no hydrogen 2.850 N/A LYS 164.A NZ PHE 200.A O no hydrogen 2.834 N/A LYS 164.A NZ VAL 203.A O no hydrogen 2.806 N/A TRP 165.A N PRO 162.A O no hydrogen 3.159 N/A TRP 165.A NE1 GLU 191.A OE1 no hydrogen 3.075 N/A TRP 165.A NE1 GLU 191.A OE2 no hydrogen 3.047 N/A MET 166.A N ILE 163.A O no hydrogen 3.123 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.863 N/A SER 170.A N ALA 167.A O no hydrogen 2.919 N/A SER 170.A OG ARG 175.A O no hydrogen 2.578 N/A ILE 171.A N ALA 167.A O no hydrogen 3.152 N/A ASN 172.A N PRO 168.A O no hydrogen 2.734 N/A ASN 172.A ND2 GLU 213.A OE1 no hydrogen 3.064 N/A PHE 173.A N GLU 169.A O no hydrogen 2.965 N/A ARG 174.A NE SER 170.A O no hydrogen 3.014 N/A ARG 175.A N GLU 169.A O no hydrogen 3.029 N/A THR 177.A N SER 180.A OG no hydrogen 3.052 N/A SER 180.A N THR 177.A OG1 no hydrogen 3.184 N/A SER 180.A OG THR 177.A O no hydrogen 2.854 N/A ASP 181.A N THR 177.A O no hydrogen 3.012 N/A VAL 182.A N SER 178.A O no hydrogen 2.847 N/A TRP 183.A N ALA 179.A O no hydrogen 3.321 N/A MET 184.A N SER 180.A O no hydrogen 3.205 N/A PHE 185.A N ASP 181.A O no hydrogen 2.853 N/A GLY 186.A N VAL 182.A O no hydrogen 2.973 N/A VAL 187.A N TRP 183.A O no hydrogen 3.202 N/A CYS 188.A N MET 184.A O no hydrogen 2.883 N/A MET 189.A N PHE 185.A O no hydrogen 2.914 N/A TRP 190.A N GLY 186.A O no hydrogen 3.078 N/A TRP 190.A NE1 PRO 219.A O no hydrogen 2.797 N/A GLU 191.A N VAL 187.A O no hydrogen 2.829 N/A ILE 192.A N CYS 188.A O no hydrogen 2.937 N/A LEU 193.A N MET 189.A O no hydrogen 3.050 N/A MET 194.A N TRP 190.A O no hydrogen 2.915 N/A HIS 195.A N ILE 192.A O no hydrogen 3.046 N/A GLY 196.A N GLU 191.A O no hydrogen 2.856 N/A VAL 203.A N PHE 200.A O no hydrogen 3.239 N/A ASP 207.A N LYS 204.A O no hydrogen 2.747 N/A VAL 208.A N ASN 205.A O no hydrogen 3.299 N/A ARG 211.A N ASP 207.A O no hydrogen 3.174 N/A ILE 212.A N VAL 208.A O no hydrogen 2.813 N/A GLU 213.A N ILE 209.A O no hydrogen 2.834 N/A ASN 214.A N GLY 210.A O no hydrogen 3.042 N/A ASN 214.A N ARG 211.A O no hydrogen 3.115 N/A ASN 214.A ND2 GLY 210.A O no hydrogen 3.523 N/A GLY 215.A N ILE 212.A O no hydrogen 3.045 N/A GLU 216.A N ARG 211.A O no hydrogen 3.153 N/A ARG 217.A NE TRP 236.A O no hydrogen 2.965 N/A ARG 217.A NH1 ILE 212.A O no hydrogen 2.806 N/A ARG 217.A NH1 GLU 216.A O no hydrogen 2.828 N/A ARG 217.A NH2 TRP 236.A O no hydrogen 2.913 N/A CYS 224.A N PRO 221.A O no hydrogen 3.238 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.502 N/A LEU 228.A N PRO 225.A O no hydrogen 3.005 N/A TYR 229.A N PRO 225.A O no hydrogen 3.158 N/A TYR 229.A OH LEU 218.A O no hydrogen 2.587 N/A SER 230.A N PRO 226.A O no hydrogen 2.962 N/A LEU 231.A N THR 227.A O no hydrogen 3.183 N/A MET 232.A N LEU 228.A O no hydrogen 3.001 N/A THR 233.A N TYR 229.A O no hydrogen 2.954 N/A THR 233.A OG1 TYR 229.A O no hydrogen 2.867 N/A LYS 234.A N SER 230.A O no hydrogen 3.203 N/A CYS 235.A N LEU 231.A O no hydrogen 3.133 N/A CYS 235.A SG LEU 231.A O no hydrogen 3.508 N/A TRP 236.A N MET 232.A O no hydrogen 3.115 N/A TRP 236.A N THR 233.A O no hydrogen 3.079 N/A ALA 237.A N LYS 234.A O no hydrogen 3.131 N/A TYR 238.A OH GLU 213.A OE1 no hydrogen 2.986 N/A SER 241.A N ASP 239.A OD1 no hydrogen 3.256 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 3.108 N/A ARG 242.A N ASP 239.A O no hydrogen 3.036 N/A ARG 243.A N PRO 240.A O no hydrogen 3.233 N/A ARG 243.A NE ALA 237.A O no hydrogen 2.749 N/A ARG 243.A NH1 GLU 169.A OE1 no hydrogen 2.873 N/A ARG 243.A NH1 ALA 237.A O no hydrogen 3.017 N/A ARG 243.A NH2 GLU 169.A OE1 no hydrogen 3.496 N/A ARG 243.A NH2 GLU 169.A OE2 no hydrogen 2.762 N/A ARG 243.A NH2 ALA 179.A O no hydrogen 2.833 N/A GLU 248.A N ARG 245.A O no hydrogen 2.927 N/A LEU 249.A N ARG 245.A O no hydrogen 3.065 N/A LYS 250.A N PHE 246.A O no hydrogen 2.819 N/A ALA 251.A N THR 247.A O no hydrogen 3.292 N/A GLN 252.A N GLU 248.A O no hydrogen 2.915 N/A LEU 253.A N LEU 249.A O no hydrogen 2.853 N/A SER 254.A N LYS 250.A O no hydrogen 3.076 N/A THR 255.A N ALA 251.A O no hydrogen 3.208 N/A THR 255.A OG1 ALA 251.A O no hydrogen 3.261 N/A ILE 256.A N GLN 252.A O no hydrogen 2.971 N/A LEU 257.A N LEU 253.A O no hydrogen 2.774 N/A GLU 258.A N SER 254.A O no hydrogen 2.931 N/A GLU 259.A N THR 255.A O no hydrogen 2.926 N/A GLU 260.A N ILE 256.A O no hydrogen 2.947 N/A LYS 261.A N LEU 257.A O no hydrogen 2.932 N/A ALA 262.A N GLU 258.A O no hydrogen 3.036 N/A GLN 263.A N GLU 260.A O no hydrogen 2.981 N/A