Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i4n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N ASP 3.A OD1 no hydrogen 2.835 N/A THR 7.A N PHE 17.A O no hydrogen 3.174 N/A ASP 9.A N ALA 15.A O no hydrogen 3.005 N/A ALA 11.A N ASP 9.A OD1 no hydrogen 2.973 N/A GLU 12.A N ASP 9.A O no hydrogen 3.301 N/A PHE 16.A N PHE 66.A O no hydrogen 2.894 N/A PHE 17.A N THR 7.A O no hydrogen 2.581 N/A SER 19.A N GLY 219.A O no hydrogen 2.891 N/A SER 19.A OG SER 22.A OG no hydrogen 3.136 N/A SER 19.A OG ILE 218.A O no hydrogen 2.553 N/A TYR 21.A N ASP 3.A O no hydrogen 2.758 N/A SER 22.A N SER 19.A OG no hydrogen 3.153 N/A SER 22.A OG SER 19.A O no hydrogen 2.765 N/A SER 22.A OG SER 19.A OG no hydrogen 3.136 N/A LEU 23.A N SER 19.A O no hydrogen 3.005 N/A SER 24.A N ALA 20.A O no hydrogen 3.115 N/A SER 24.A OG TYR 21.A O no hydrogen 2.501 N/A GLN 25.A N TYR 21.A O no hydrogen 3.208 N/A PHE 26.A N SER 22.A O no hydrogen 2.748 N/A THR 27.A N LEU 23.A O no hydrogen 2.851 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.645 N/A LYS 30.A NZ GLU 110.A O no hydrogen 2.482 N/A SER 31.A N ASP 111.A OD2 no hydrogen 2.822 N/A SER 31.A OG ASP 111.A OD2 no hydrogen 2.540 N/A LEU 33.A N SER 31.A OG no hydrogen 3.207 N/A SER 34.A N ASN 265.A OD1 no hydrogen 3.004 N/A SER 34.A OG ASP 32.A O no hydrogen 3.390 N/A THR 40.A OG1 THR 40.A O no hydrogen 2.523 N/A TYR 42.A N ALA 86.A O no hydrogen 2.672 N/A GLN 43.A NE2 PRO 41.A O no hydrogen 3.686 N/A ARG 46.A N TYR 42.A OH no hydrogen 2.635 N/A ARG 46.A NE ASP 144.A OD1 no hydrogen 2.847 N/A ARG 46.A NH2 ASP 142.A OD1 no hydrogen 3.060 N/A ARG 46.A NH2 SER 143.A O no hydrogen 3.064 N/A TRP 47.A N TYR 42.A OH no hydrogen 3.081 N/A LYS 48.A N ASP 144.A O no hydrogen 2.860 N/A LYS 48.A NZ ASP 91.A OD1 no hydrogen 3.567 N/A LYS 48.A NZ ASP 91.A OD2 no hydrogen 2.683 N/A ILE 49.A N SER 89.A O no hydrogen 2.901 N/A LEU 50.A N GLY 147.A O no hydrogen 2.969 N/A VAL 51.A N ASP 91.A O no hydrogen 2.782 N/A VAL 52.A N PHE 149.A O no hydrogen 3.003 N/A GLY 53.A N ALA 93.A O no hydrogen 2.805 N/A ALA 54.A N ASN 71.A OD1 no hydrogen 2.675 N/A ARG 57.A N GLU 56.A OE2 no hydrogen 3.103 N/A ARG 57.A NH2 PHE 102.A O no hydrogen 2.913 N/A TYR 58.A N GLU 56.A OE2 no hydrogen 2.994 N/A TYR 58.A OH ASP 9.A OD2 no hydrogen 2.611 N/A LEU 59.A N PHE 67.A O no hydrogen 3.091 N/A MET 61.A N THR 65.A O no hydrogen 2.815 N/A ASP 62.A N HIS 224.A O no hydrogen 2.813 N/A ASN 63.A ND2 PRO 222.A O no hydrogen 2.815 N/A GLY 64.A N MET 61.A O no hydrogen 3.121 N/A THR 65.A N ASN 63.A OD1 no hydrogen 3.100 N/A THR 65.A OG1 ASN 63.A OD1 no hydrogen 2.696 N/A PHE 66.A N ASN 14.A O no hydrogen 2.840 N/A PHE 67.A N LEU 59.A O no hydrogen 2.788 N/A SER 68.A N PHE 16.A O no hydrogen 2.811 N/A SER 68.A OG ASP 9.A OD2 no hydrogen 2.560 N/A THR 69.A N ARG 57.A O no hydrogen 2.634 N/A THR 69.A OG1 GLY 70.A O no hydrogen 3.212 N/A THR 69.A OG1 GLU 103.A OE2 no hydrogen 2.658 N/A GLY 70.A N THR 69.A OG1 no hydrogen 2.403 N/A ASN 71.A N LYS 101.A O no hydrogen 2.662 N/A ASN 71.A ND2 GLY 152.A O no hydrogen 2.877 N/A HIS 72.A N GLY 152.A O no hydrogen 3.108 N/A VAL 74.A N HIS 72.A ND1 no hydrogen 3.193 N/A GLU 75.A N HIS 72.A ND1 no hydrogen 3.391 N/A THR 76.A N HIS 72.A O no hydrogen 2.943 N/A THR 76.A OG1 HIS 72.A O no hydrogen 2.737 N/A LEU 77.A N PRO 73.A O no hydrogen 2.794 N/A LEU 78.A N VAL 74.A O no hydrogen 3.144 N/A TYR 81.A N LEU 77.A O no hydrogen 2.771 N/A HIS 82.A N LEU 78.A O no hydrogen 3.256 N/A HIS 82.A ND1 LEU 78.A O no hydrogen 3.093 N/A HIS 82.A NE2 SER 34.A O no hydrogen 2.977 N/A LEU 83.A N PRO 79.A O no hydrogen 3.218 N/A ASP 84.A N MET 80.A O no hydrogen 2.837 N/A LYS 85.A N TYR 81.A O no hydrogen 2.913 N/A ALA 86.A N HIS 82.A O no hydrogen 2.693 N/A GLY 87.A N ASP 84.A O no hydrogen 2.814 N/A PHE 88.A N LEU 83.A O no hydrogen 2.900 N/A ASP 91.A N ILE 49.A O no hydrogen 3.111 N/A ALA 93.A N VAL 51.A O no hydrogen 2.853 N/A THR 94.A N LEU 129.A O no hydrogen 3.020 N/A THR 94.A OG1 ASN 98.A O no hydrogen 2.787 N/A SER 96.A N ASP 55.A OD2 no hydrogen 3.167 N/A SER 96.A OG ASP 55.A OD2 no hydrogen 2.649 N/A GLY 97.A N THR 94.A OG1 no hydrogen 2.793 N/A ASN 98.A N SER 96.A OG no hydrogen 2.978 N/A VAL 100.A N PHE 125.A O no hydrogen 2.925 N/A LYS 101.A N ALA 54.A O no hydrogen 2.900 N/A LYS 101.A NZ ASP 55.A O no hydrogen 2.749 N/A LYS 101.A NZ PRO 99.A O no hydrogen 2.686 N/A GLU 103.A N ASN 71.A O no hydrogen 2.846 N/A TRP 105.A NE1 SER 68.A O no hydrogen 2.913 N/A ALA 106.A N GLU 103.A O no hydrogen 3.121 N/A MET 107.A N TRP 104.A O no hydrogen 3.072 N/A GLU 110.A N SER 29.A O no hydrogen 2.812 N/A ASP 111.A N PRO 108.A O no hydrogen 2.959 N/A GLN 112.A NE2 GLU 110.A O no hydrogen 2.477 N/A VAL 114.A N ASP 111.A OD1 no hydrogen 2.926 N/A ASN 115.A N ASP 111.A O no hydrogen 2.976 N/A ASN 115.A ND2 PRO 108.A O no hydrogen 2.765 N/A ASN 115.A ND2 ASP 111.A O no hydrogen 2.831 N/A GLY 116.A N GLN 112.A O no hydrogen 2.938 N/A LEU 117.A N GLU 113.A O no hydrogen 2.956 N/A LEU 117.A N VAL 114.A O no hydrogen 3.239 N/A TYR 118.A N VAL 114.A O no hydrogen 3.127 N/A SER 119.A N ASN 115.A O no hydrogen 3.070 N/A SER 119.A OG ASN 115.A O no hydrogen 3.001 N/A LYS 120.A N GLY 116.A O no hydrogen 3.097 N/A LYS 120.A NZ ASP 84.A OD1 no hydrogen 2.644 N/A LYS 120.A NZ ASP 84.A OD2 no hydrogen 3.451 N/A TYR 121.A N LEU 117.A O no hydrogen 3.243 N/A GLN 122.A N SER 119.A O no hydrogen 3.267 N/A PHE 125.A N TYR 121.A O no hydrogen 2.984 N/A ARG 126.A N GLN 122.A O no hydrogen 3.052 N/A GLN 127.A N SER 123.A O no hydrogen 2.984 N/A LEU 129.A N ILE 92.A O no hydrogen 2.783 N/A LYS 130.A NZ LEU 95.A O no hydrogen 3.255 N/A LYS 130.A NZ SER 96.A O no hydrogen 3.099 N/A LEU 131.A N THR 94.A O no hydrogen 2.829 N/A ASP 133.A N LYS 130.A O no hydrogen 2.972 N/A ILE 135.A N LEU 131.A O no hydrogen 3.043 N/A GLU 136.A N SER 132.A O no hydrogen 3.099 N/A THR 137.A N ASP 133.A O no hydrogen 3.215 N/A THR 137.A OG1 ASP 133.A O no hydrogen 3.241 N/A ALA 138.A N VAL 134.A O no hydrogen 2.738 N/A SER 143.A OG ALA 138.A O no hydrogen 2.939 N/A TYR 145.A N SER 143.A OG no hydrogen 2.916 N/A TYR 145.A OH ASP 91.A OD2 no hydrogen 2.536 N/A ILE 146.A N LYS 48.A O no hydrogen 2.836 N/A VAL 148.A N PHE 179.A O no hydrogen 2.865 N/A PHE 149.A N LEU 50.A O no hydrogen 2.673 N/A ILE 150.A N ILE 181.A O no hydrogen 2.718 N/A HIS 154.A NE2 ASP 212.A OD1 no hydrogen 2.758 N/A GLY 155.A N GLY 70.A O no hydrogen 2.854 N/A ALA 156.A N GLY 153.A O no hydrogen 3.056 N/A LEU 157.A N HIS 154.A O no hydrogen 3.030 N/A MET 158.A N GLY 155.A O no hydrogen 3.183 N/A LEU 160.A N MET 158.A O no hydrogen 2.828 N/A SER 163.A N LEU 160.A O no hydrogen 3.314 N/A VAL 166.A N SER 163.A OG no hydrogen 2.964 N/A LYS 167.A N SER 163.A O no hydrogen 3.171 N/A LYS 167.A NZ VAL 193.A O no hydrogen 3.441 N/A ALA 168.A N GLN 164.A O no hydrogen 3.108 N/A VAL 169.A N GLU 165.A O no hydrogen 3.051 N/A LEU 170.A N VAL 166.A O no hydrogen 2.911 N/A GLN 171.A N LYS 167.A O no hydrogen 2.794 N/A GLN 171.A NE2 ASP 196.A OD2 no hydrogen 2.757 N/A TRP 172.A N ALA 168.A O no hydrogen 3.009 N/A TRP 172.A NE1 GLY 140.A O no hydrogen 2.759 N/A ALA 173.A N VAL 169.A O no hydrogen 2.894 N/A MET 174.A N LEU 170.A O no hydrogen 2.972 N/A LYS 175.A N GLN 171.A O no hydrogen 2.852 N/A GLN 176.A N TRP 172.A O no hydrogen 2.756 N/A GLN 176.A NE2 GLU 141.A OE1 no hydrogen 3.174 N/A ASN 177.A N MET 174.A O no hydrogen 3.193 N/A LYS 178.A N ALA 173.A O no hydrogen 2.684 N/A LYS 178.A NZ TYR 145.A O no hydrogen 2.915 N/A PHE 179.A N ILE 146.A O no hydrogen 3.281 N/A ILE 180.A N LYS 254.A O no hydrogen 2.768 N/A ILE 181.A N VAL 148.A O no hydrogen 2.769 N/A SER 182.A N LEU 256.A O no hydrogen 3.008 N/A SER 182.A OG ILE 150.A O no hydrogen 2.550 N/A ALA 184.A N GLY 258.A O no hydrogen 2.997 N/A HIS 185.A NE2 ASP 212.A OD1 no hydrogen 3.086 N/A HIS 185.A NE2 ASP 212.A OD2 no hydrogen 2.787 N/A GLY 186.A N LEU 183.A O no hydrogen 2.945 N/A ALA 188.A N HIS 185.A O no hydrogen 2.997 N/A ALA 189.A N GLY 186.A O no hydrogen 2.956 N/A PHE 190.A N PRO 187.A O no hydrogen 2.851 N/A LEU 191.A N ALA 188.A O no hydrogen 3.073 N/A ALA 192.A N ALA 189.A O no hydrogen 3.113 N/A VAL 193.A N PHE 190.A O no hydrogen 3.329 N/A GLY 194.A N LEU 191.A O no hydrogen 2.981 N/A ASP 196.A N VAL 193.A O no hydrogen 3.117 N/A LEU 198.A N ASP 196.A OD1 no hydrogen 2.940 N/A ALA 200.A N PRO 197.A O no hydrogen 2.904 N/A GLY 201.A N GLY 237.A O no hydrogen 2.987 N/A TYR 202.A N PHE 199.A O no hydrogen 3.009 N/A LYS 203.A N ASP 252.A OD2 no hydrogen 2.902 N/A ILE 204.A N GLU 239.A O no hydrogen 3.160 N/A VAL 205.A N THR 257.A OG1 no hydrogen 2.922 N/A ALA 206.A N ASN 242.A OD1 no hydrogen 2.979 N/A PHE 207.A N ALA 184.A O no hydrogen 3.055 N/A MET 211.A N PRO 208.A O no hydrogen 2.909 N/A ASP 212.A N PRO 208.A O no hydrogen 3.273 N/A ALA 213.A N ASP 209.A O no hydrogen 3.087 N/A GLN 214.A N MET 211.A O no hydrogen 3.020 N/A THR 215.A N MET 211.A O no hydrogen 3.255 N/A THR 215.A OG1 ASP 212.A O no hydrogen 3.467 N/A SER 217.A N GLN 214.A O no hydrogen 2.958 N/A SER 217.A OG GLN 214.A O no hydrogen 2.595 N/A ILE 218.A N THR 215.A O no hydrogen 3.085 N/A GLY 219.A N PRO 216.A O no hydrogen 3.028 N/A TYR 220.A N THR 215.A O no hydrogen 3.220 N/A HIS 224.A N ASP 62.A OD1 no hydrogen 2.871 N/A GLY 230.A N ASP 209.A OD1 no hydrogen 2.966 N/A GLU 231.A N ASP 209.A OD2 no hydrogen 2.890 N/A GLN 232.A N LYS 228.A O no hydrogen 3.389 N/A LEU 233.A N PHE 229.A O no hydrogen 2.948 N/A GLN 234.A N GLY 230.A O no hydrogen 3.047 N/A ALA 235.A N GLU 231.A O no hydrogen 2.982 N/A ILE 236.A N GLN 232.A O no hydrogen 3.241 N/A ILE 236.A N LEU 233.A O no hydrogen 2.977 N/A GLY 237.A N GLN 234.A O no hydrogen 3.090 N/A PHE 238.A N LEU 233.A O no hydrogen 3.211 N/A GLU 239.A N TYR 202.A O no hydrogen 2.755 N/A LEU 241.A N ILE 204.A O no hydrogen 2.995 N/A ASN 242.A ND2 ALA 206.A O no hydrogen 2.675 N/A ASN 242.A ND2 GLY 244.A O no hydrogen 2.898 N/A SER 246.A N ASP 259.A OD2 no hydrogen 2.808 N/A GLY 247.A N ASP 259.A OD1 no hydrogen 3.123 N/A GLY 247.A N ASP 259.A OD2 no hydrogen 3.217 N/A GLN 248.A N ASP 259.A OD2 no hydrogen 3.055 N/A GLN 248.A NE2 VAL 249.A O no hydrogen 2.817 N/A PHE 250.A N THR 257.A O no hydrogen 2.863 N/A GLN 251.A NE2 ARG 253.A O no hydrogen 3.046 N/A ASP 252.A N MET 255.A O no hydrogen 3.073 N/A ARG 253.A NE ASP 252.A OD1 no hydrogen 2.819 N/A ARG 253.A NH2 ASP 252.A OD1 no hydrogen 3.218 N/A ARG 253.A NH2 ASP 252.A OD2 no hydrogen 3.107 N/A LYS 254.A NZ ASN 177.A O no hydrogen 2.734 N/A LYS 254.A NZ GLU 278.A OE2 no hydrogen 2.416 N/A MET 255.A N ASP 252.A O no hydrogen 3.014 N/A LEU 256.A N ILE 180.A O no hydrogen 2.773 N/A THR 257.A N PHE 250.A O no hydrogen 3.092 N/A THR 257.A OG1 VAL 205.A O no hydrogen 3.523 N/A GLY 258.A N SER 182.A O no hydrogen 2.922 N/A ASP 259.A N GLN 248.A O no hydrogen 2.830 N/A SER 260.A OG ASP 259.A OD1 no hydrogen 2.877 N/A LEU 262.A N SER 260.A OG no hydrogen 3.299 N/A ALA 263.A N SER 260.A O no hydrogen 2.742 N/A GLY 264.A N PRO 261.A O no hydrogen 3.447 N/A ASN 265.A ND2 SER 34.A O no hydrogen 3.420 N/A LEU 267.A N ALA 263.A O no hydrogen 2.967 N/A GLY 268.A N GLY 264.A O no hydrogen 3.124 N/A GLN 269.A N ASN 265.A O no hydrogen 3.032 N/A GLN 269.A NE2 SER 34.A O no hydrogen 3.219 N/A LEU 270.A N ALA 266.A O no hydrogen 2.904 N/A ALA 271.A N LEU 267.A O no hydrogen 2.825 N/A ALA 272.A N GLY 268.A O no hydrogen 2.863 N/A LYS 273.A N GLN 269.A O no hydrogen 2.935 N/A ALA 274.A N LEU 270.A O no hydrogen 2.968 N/A LEU 275.A N ALA 271.A O no hydrogen 2.901 N/A LEU 276.A N ALA 272.A O no hydrogen 2.953 N/A ALA 277.A N LYS 273.A O no hydrogen 2.989 N/A GLU 278.A N ALA 274.A O no hydrogen 3.179 N/A VAL 279.A N LEU 275.A O no hydrogen 3.128 N/A GLY 281.A N GLU 278.A O no hydrogen 2.828 N/A