Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e4p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ALA 1.A O no hydrogen 3.251 N/A GLN 6.A N GLY 2.A O no hydrogen 3.339 N/A SER 7.A N LEU 3.A O no hydrogen 2.825 N/A SER 7.A OG LEU 3.A O no hydrogen 2.671 N/A SER 7.A OG SER 252.A OG no hydrogen 2.607 N/A ARG 8.A N ALA 4.A O no hydrogen 3.035 N/A ILE 9.A N GLY 5.A O no hydrogen 3.280 N/A ASP 10.A N GLN 6.A O no hydrogen 3.070 N/A ALA 11.A N SER 7.A O no hydrogen 2.900 N/A SER 12.A N ARG 8.A O no hydrogen 3.032 N/A LEU 13.A N ILE 9.A O no hydrogen 3.077 N/A LYS 14.A N ASP 10.A O no hydrogen 3.149 N/A LYS 14.A NZ SER 156.A OG no hydrogen 3.069 N/A LYS 14.A NZ LYS 158.A O no hydrogen 2.545 N/A ALA 15.A N ALA 11.A O no hydrogen 3.044 N/A SER 16.A N SER 12.A O no hydrogen 3.009 N/A SER 16.A OG SER 12.A O no hydrogen 3.257 N/A LEU 17.A N LEU 13.A O no hydrogen 2.789 N/A LEU 18.A N LYS 14.A O no hydrogen 3.070 N/A ARG 19.A N ALA 15.A O no hydrogen 2.879 N/A ALA 20.A N SER 16.A O no hydrogen 2.770 N/A VAL 21.A N LEU 17.A O no hydrogen 2.872 N/A VAL 22.A N LEU 18.A O no hydrogen 2.969 N/A GLU 23.A N ARG 19.A O no hydrogen 2.959 N/A ARG 24.A N ALA 20.A O no hydrogen 3.158 N/A ARG 24.A NH2 GLU 65.A OE1 no hydrogen 2.931 N/A GLN 25.A N VAL 22.A O no hydrogen 2.919 N/A ARG 26.A N VAL 22.A O no hydrogen 3.060 N/A ARG 26.A NE GLU 111.A OE2 no hydrogen 2.721 N/A ARG 26.A NH1 GLU 23.A OE2 no hydrogen 3.107 N/A ARG 26.A NH1 SER 243.A O no hydrogen 3.051 N/A ARG 26.A NH1 SER 243.A OG no hydrogen 3.043 N/A ARG 26.A NH2 GLU 111.A OE1 no hydrogen 2.950 N/A ARG 26.A NH2 SER 243.A O no hydrogen 2.926 N/A LEU 28.A N GLN 25.A O no hydrogen 3.122 N/A LEU 30.A N ARG 26.A O no hydrogen 3.336 N/A VAL 31.A N ALA 27.A O no hydrogen 3.047 N/A LEU 32.A N LEU 28.A O no hydrogen 2.823 N/A ALA 33.A N PRO 29.A O no hydrogen 3.005 N/A ASP 34.A N VAL 31.A O no hydrogen 3.441 N/A ASP 35.A N LEU 32.A O no hydrogen 3.227 N/A ALA 37.A N ASP 35.A OD2 no hydrogen 3.183 N/A ILE 38.A N ASP 35.A OD2 no hydrogen 3.215 N/A ARG 39.A N ASP 35.A O no hydrogen 2.997 N/A ARG 39.A NE ASP 131.A O no hydrogen 2.888 N/A GLY 40.A N ALA 36.A O no hydrogen 2.965 N/A ALA 41.A N ALA 37.A O no hydrogen 3.255 N/A LEU 42.A N ARG 39.A O no hydrogen 3.001 N/A LEU 43.A N ARG 39.A O no hydrogen 2.754 N/A SER 44.A N GLY 40.A O no hydrogen 2.811 N/A ASP 46.A N SER 44.A O no hydrogen 2.675 N/A ARG 47.A NH1 ASP 51.A OD1 no hydrogen 2.009 N/A SER 49.A N ASP 46.A OD1 no hydrogen 2.926 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 2.895 N/A SER 49.A OG ASP 46.A OD2 no hydrogen 3.325 N/A LEU 50.A N ASP 46.A O no hydrogen 3.271 N/A ASP 51.A N ARG 47.A O no hydrogen 3.209 N/A ARG 52.A N PRO 48.A O no hydrogen 3.281 N/A ILE 53.A N SER 49.A O no hydrogen 2.931 N/A ASN 54.A N LEU 50.A O no hydrogen 2.826 N/A ARG 55.A N ASP 51.A O no hydrogen 2.986 N/A LYS 56.A N ARG 52.A O no hydrogen 2.762 N/A LEU 57.A N ILE 53.A O no hydrogen 2.799 N/A GLU 58.A N ASN 54.A O no hydrogen 2.981 N/A ALA 59.A N ARG 55.A O no hydrogen 3.161 N/A LEU 60.A N LYS 56.A O no hydrogen 3.008 N/A ALA 61.A N LEU 57.A O no hydrogen 2.848 N/A THR 62.A N GLU 58.A O no hydrogen 3.138 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.890 N/A SER 63.A N ALA 59.A O no hydrogen 3.218 N/A SER 63.A OG ALA 59.A O no hydrogen 2.862 N/A ALA 64.A N LEU 60.A O no hydrogen 2.944 N/A ALA 66.A N ALA 61.A O no hydrogen 3.028 N/A ALA 67.A N LYS 143.A O no hydrogen 3.025 N/A ILE 69.A N SER 82.A OG no hydrogen 3.011 N/A TYR 70.A N VAL 141.A O no hydrogen 2.793 N/A TYR 70.A OH TYR 100.A OH no hydrogen 2.691 N/A LEU 71.A N ALA 80.A O no hydrogen 2.783 N/A ILE 72.A N VAL 139.A O no hydrogen 2.814 N/A ASP 73.A N VAL 77.A O no hydrogen 2.910 N/A ARG 74.A NH2 PRO 136.A O no hydrogen 2.816 N/A SER 75.A N ASP 73.A OD1 no hydrogen 3.041 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.717 N/A GLY 76.A N ASP 73.A O no hydrogen 2.971 N/A VAL 77.A N ASP 73.A OD1 no hydrogen 3.190 N/A ALA 78.A N ASN 93.A O no hydrogen 2.878 N/A VAL 79.A N LEU 71.A O no hydrogen 2.921 N/A ALA 80.A N LEU 71.A O no hydrogen 3.385 N/A SER 82.A N ILE 69.A O no hydrogen 2.940 N/A SER 82.A OG ILE 69.A O no hydrogen 3.399 N/A TRP 84.A N ALA 81.A O no hydrogen 3.218 N/A TRP 84.A NE1 GLU 58.A OE2 no hydrogen 2.964 N/A GLU 86.A N ASN 83.A O no hydrogen 3.039 N/A SER 89.A N GLU 86.A O no hydrogen 3.001 N/A PHE 90.A N ASN 83.A OD1 no hydrogen 3.206 N/A VAL 91.A N SER 89.A OG no hydrogen 3.140 N/A GLY 92.A N ALA 78.A O no hydrogen 2.741 N/A ASN 93.A N PHE 90.A O no hydrogen 3.005 N/A ASN 93.A ND2 TYR 95.A OH no hydrogen 2.630 N/A TYR 95.A N GLY 76.A O no hydrogen 2.633 N/A ALA 96.A N ASP 94.A OD1 no hydrogen 3.482 N/A ARG 98.A N TYR 95.A O no hydrogen 3.111 N/A ARG 98.A NH2 THR 117.A OG1 no hydrogen 2.749 N/A ARG 102.A N ARG 98.A O no hydrogen 2.742 N/A LEU 103.A N ASP 99.A O no hydrogen 2.783 N/A VAL 105.A N PHE 101.A O no hydrogen 2.900 N/A ARG 106.A N ARG 102.A O no hydrogen 3.048 N/A ARG 106.A NE ASP 107.A OD1 no hydrogen 3.086 N/A ARG 106.A NH1 ASP 107.A OD2 no hydrogen 3.502 N/A ASP 107.A N LEU 103.A O no hydrogen 2.637 N/A GLY 108.A N ALA 104.A O no hydrogen 2.851 N/A ALA 110.A N SER 127.A O no hydrogen 3.100 N/A HIS 112.A N TYR 125.A O no hydrogen 2.879 N/A HIS 112.A NE2 SER 196.A O no hydrogen 2.935 N/A ALA 114.A N GLY 123.A O no hydrogen 3.234 N/A MET 115.A N LEU 197.A O no hydrogen 2.851 N/A GLY 116.A N ARG 121.A O no hydrogen 2.882 N/A LYS 120.A N GLY 116.A O no hydrogen 2.913 N/A LYS 120.A NZ THR 117.A O no hydrogen 2.731 N/A ARG 121.A N SER 119.A OG no hydrogen 3.061 N/A ARG 121.A NE GLU 145.A OE1 no hydrogen 2.949 N/A ARG 121.A NH2 GLU 145.A OE1 no hydrogen 3.104 N/A GLY 123.A N ALA 114.A O no hydrogen 3.153 N/A LEU 124.A N LEU 144.A O no hydrogen 2.767 N/A TYR 125.A N HIS 112.A O no hydrogen 2.701 N/A ILE 126.A N ALA 142.A O no hydrogen 2.732 N/A SER 127.A N ALA 110.A O no hydrogen 2.885 N/A SER 127.A OG TYR 100.A O no hydrogen 2.533 N/A SER 127.A OG ALA 110.A O no hydrogen 3.392 N/A ARG 128.A N ILE 140.A O no hydrogen 2.868 N/A ARG 129.A N GLY 108.A O no hydrogen 2.668 N/A ARG 129.A NE ASP 131.A OD1 no hydrogen 2.663 N/A ARG 129.A NH2 VAL 105.A O no hydrogen 2.583 N/A VAL 130.A N GLY 138.A O no hydrogen 2.758 N/A GLY 132.A N GLY 135.A O no hydrogen 2.954 N/A LEU 137.A N VAL 130.A O no hydrogen 2.748 N/A VAL 139.A N ILE 72.A O no hydrogen 2.846 N/A ILE 140.A N ARG 128.A O no hydrogen 2.952 N/A VAL 141.A N TYR 70.A O no hydrogen 2.982 N/A ALA 142.A N ILE 126.A O no hydrogen 2.837 N/A LYS 143.A N VAL 68.A O no hydrogen 2.892 N/A LYS 143.A NZ ARG 121.A O no hydrogen 2.676 N/A LYS 143.A NZ GLU 145.A OE2 no hydrogen 2.693 N/A LEU 144.A N LEU 124.A O no hydrogen 2.813 N/A GLU 150.A N PHE 146.A O no hydrogen 2.946 N/A ALA 151.A N ASP 147.A O no hydrogen 3.018 N/A ASP 152.A N GLY 148.A O no hydrogen 3.082 N/A TRP 153.A N VAL 149.A O no hydrogen 3.032 N/A GLN 154.A N GLU 150.A O no hydrogen 3.047 N/A ALA 155.A N ALA 151.A O no hydrogen 3.112 N/A SER 156.A N TRP 153.A O no hydrogen 3.196 N/A SER 156.A OG TRP 153.A O no hydrogen 2.585 N/A LYS 158.A N SER 156.A OG no hydrogen 3.224 N/A LYS 158.A NZ ASP 10.A OD2 no hydrogen 3.515 N/A ALA 160.A N SER 173.A OG no hydrogen 3.316 N/A TYR 161.A N GLU 249.A O no hydrogen 2.982 N/A VAL 162.A N ILE 171.A O no hydrogen 2.655 N/A THR 163.A N ARG 247.A O no hydrogen 2.939 N/A ASP 164.A N ILE 168.A O no hydrogen 3.234 N/A ARG 166.A N ASP 164.A OD1 no hydrogen 3.261 N/A ARG 166.A NE ASP 164.A OD2 no hydrogen 2.971 N/A ARG 166.A NH1 ASP 164.A OD2 no hydrogen 2.653 N/A ARG 166.A NH2 SER 196.A OG no hydrogen 2.977 N/A GLY 167.A N ASP 164.A O no hydrogen 3.006 N/A ILE 168.A N ASP 164.A OD1 no hydrogen 2.970 N/A VAL 169.A N MET 180.A O no hydrogen 2.920 N/A LEU 170.A N VAL 162.A O no hydrogen 2.887 N/A THR 172.A N GLU 150.A OE2 no hydrogen 2.991 N/A THR 172.A OG1 LEU 174.A O no hydrogen 2.765 N/A SER 173.A N ALA 160.A O no hydrogen 2.903 N/A LEU 174.A N THR 172.A OG1 no hydrogen 2.961 N/A TRP 177.A N LEU 174.A O no hydrogen 2.902 N/A ARG 178.A N PRO 175.A O no hydrogen 3.185 N/A ARG 178.A NH1 GLU 150.A OE1 no hydrogen 3.059 N/A ARG 178.A NH1 GLU 150.A OE2 no hydrogen 3.417 N/A ARG 178.A NH2 GLU 150.A OE2 no hydrogen 2.882 N/A ARG 178.A NH2 LEU 170.A O no hydrogen 2.829 N/A PHE 179.A N VAL 169.A O no hydrogen 2.689 N/A MET 180.A N TRP 177.A O no hydrogen 3.115 N/A THR 181.A N LEU 205.A O no hydrogen 2.852 N/A THR 181.A OG1 LYS 183.A O no hydrogen 2.600 N/A THR 182.A N GLY 167.A O no hydrogen 2.968 N/A THR 182.A OG1 GLY 167.A O no hydrogen 3.298 N/A LEU 190.A N GLU 187.A O no hydrogen 3.366 N/A ARG 194.A N LEU 190.A O no hydrogen 2.822 N/A ARG 194.A NE ALA 202.A O no hydrogen 2.839 N/A ARG 194.A NH2 ALA 202.A O no hydrogen 2.867 N/A GLU 195.A N ALA 191.A O no hydrogen 2.919 N/A SER 196.A N PRO 192.A O no hydrogen 3.047 N/A LEU 197.A N ILE 193.A O no hydrogen 2.869 N/A GLN 198.A N GLU 195.A O no hydrogen 3.048 N/A GLN 198.A NE2 MET 115.A O no hydrogen 2.714 N/A PHE 199.A N ARG 194.A O no hydrogen 2.945 N/A ALA 202.A N PHE 199.A O no hydrogen 3.112 N/A LEU 204.A N PHE 179.A O no hydrogen 2.892 N/A LEU 207.A N THR 181.A O no hydrogen 2.765 N/A PHE 209.A N LEU 207.A O no hydrogen 2.540 N/A ARG 210.A N ASP 223.A O no hydrogen 2.961 N/A LYS 211.A NZ ASP 223.A OD2 no hydrogen 3.396 N/A GLU 213.A N THR 221.A O no hydrogen 2.921 N/A ARG 215.A N SER 219.A O no hydrogen 2.727 N/A GLY 218.A N ARG 215.A O no hydrogen 2.947 N/A SER 219.A OG ASP 217.A OD2 no hydrogen 3.160 N/A SER 220.A N ARG 236.A O no hydrogen 3.065 N/A THR 221.A N GLU 213.A O no hydrogen 2.911 N/A THR 221.A OG1 GLU 213.A O no hydrogen 3.416 N/A THR 221.A OG1 GLU 213.A OE1 no hydrogen 3.181 N/A ASP 223.A N ARG 210.A O no hydrogen 2.858 N/A ALA 224.A N ALA 232.A O no hydrogen 3.044 N/A LEU 225.A N PRO 208.A O no hydrogen 3.179 N/A LEU 226.A N SER 230.A O no hydrogen 2.655 N/A ALA 232.A N ALA 224.A O no hydrogen 2.846 N/A PHE 234.A N LEU 222.A O no hydrogen 2.828 N/A LEU 235.A N SER 252.A O no hydrogen 2.578 N/A ARG 236.A N SER 220.A O no hydrogen 2.797 N/A ARG 236.A NE SER 220.A OG no hydrogen 3.272 N/A ARG 236.A NH1 SER 220.A OG no hydrogen 3.399 N/A VAL 237.A N GLN 250.A O no hydrogen 3.076 N/A THR 239.A N LEU 248.A O no hydrogen 2.939 N/A THR 239.A OG1 MET 240.A O no hydrogen 3.538 N/A VAL 241.A N TRP 246.A O no hydrogen 2.885 N/A SER 243.A OG GLU 23.A OE2 no hydrogen 3.262 N/A SER 243.A OG PRO 242.A O no hydrogen 2.578 N/A THR 244.A N VAL 241.A O no hydrogen 3.255 N/A THR 244.A OG1 VAL 241.A O no hydrogen 2.769 N/A TRP 246.A N THR 244.A OG1 no hydrogen 3.172 N/A ARG 247.A N THR 163.A O no hydrogen 3.049 N/A ARG 247.A NE GLU 238.A OE2 no hydrogen 3.495 N/A ARG 247.A NH1 THR 163.A OG1 no hydrogen 3.261 N/A LEU 248.A N THR 239.A O no hydrogen 2.757 N/A GLU 249.A N TYR 161.A O no hydrogen 2.906 N/A GLN 250.A N VAL 237.A O no hydrogen 2.932 N/A GLN 250.A NE2 SER 7.A O no hydrogen 3.070 N/A LEU 251.A N PRO 159.A O no hydrogen 2.754 N/A SER 252.A N LEU 235.A O no hydrogen 2.685 N/A SER 252.A OG SER 7.A OG no hydrogen 2.607 N/A LEU 254.A N ALA 233.A O no hydrogen 2.670 N/A