Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLN 32.A O no hydrogen 2.841 N/A GLY 4.A N ALA 59.A O no hydrogen 3.173 N/A LEU 5.A N LEU 34.A O no hydrogen 2.932 N/A LEU 6.A N VAL 61.A O no hydrogen 2.892 N/A LEU 7.A N GLY 36.A O no hydrogen 3.019 N/A ASN 11.A N SER 9.A OG no hydrogen 2.943 N/A HIS 14.A NE2 GLY 216.A O no hydrogen 2.698 N/A PHE 15.A N ASN 12.A OD1 no hydrogen 3.068 N/A ALA 16.A N ASN 12.A O no hydrogen 2.964 N/A GLN 17.A N LEU 13.A O no hydrogen 2.862 N/A THR 18.A N HIS 14.A O no hydrogen 2.879 N/A THR 18.A OG1 HIS 14.A O no hydrogen 2.726 N/A ALA 19.A N PHE 15.A O no hydrogen 2.879 N/A GLN 20.A N ALA 16.A O no hydrogen 2.922 N/A SER 21.A N GLN 17.A O no hydrogen 2.998 N/A SER 21.A OG GLN 17.A O no hydrogen 3.371 N/A SER 21.A OG THR 18.A O no hydrogen 3.274 N/A SER 21.A OG ILE 236.A O no hydrogen 2.936 N/A LEU 22.A N THR 18.A O no hydrogen 2.830 N/A THR 23.A N ALA 19.A O no hydrogen 2.833 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.681 N/A ASP 24.A N GLN 20.A O no hydrogen 3.071 N/A VAL 25.A N SER 21.A O no hydrogen 3.099 N/A LEU 26.A N LEU 22.A O no hydrogen 2.986 N/A GLU 27.A N THR 23.A O no hydrogen 2.851 N/A GLN 28.A N ASP 24.A O no hydrogen 3.216 N/A GLY 29.A N LEU 26.A O no hydrogen 2.923 N/A GLY 30.A N GLU 27.A O no hydrogen 2.996 N/A LEU 31.A N LEU 26.A O no hydrogen 2.921 N/A GLN 32.A N GLY 1.A O no hydrogen 3.154 N/A LEU 34.A N VAL 3.A O no hydrogen 2.959 N/A GLY 36.A N LEU 5.A O no hydrogen 2.967 N/A THR 38.A N LEU 7.A O no hydrogen 2.871 N/A THR 38.A OG1 LEU 7.A O no hydrogen 3.377 N/A SER 41.A N THR 38.A O no hydrogen 3.150 N/A SER 41.A OG GLU 43.A OE1 no hydrogen 3.334 N/A ARG 44.A N SER 41.A OG no hydrogen 3.115 N/A ARG 44.A NH1 THR 38.A O no hydrogen 3.352 N/A GLU 45.A N SER 41.A O no hydrogen 2.899 N/A GLU 46.A N PRO 42.A O no hydrogen 2.981 N/A GLN 47.A N GLU 43.A O no hydrogen 3.076 N/A LEU 48.A N ARG 44.A O no hydrogen 2.968 N/A VAL 49.A N GLU 45.A O no hydrogen 2.885 N/A GLU 50.A N GLU 46.A O no hydrogen 2.999 N/A THR 51.A N GLN 47.A O no hydrogen 3.246 N/A THR 51.A OG1 GLN 47.A O no hydrogen 3.409 N/A THR 51.A OG1 LEU 48.A O no hydrogen 3.328 N/A MET 52.A N LEU 48.A O no hydrogen 2.822 N/A LEU 53.A N VAL 49.A O no hydrogen 2.900 N/A ARG 54.A N THR 51.A O no hydrogen 3.138 N/A ARG 54.A NE GLU 50.A OE2 no hydrogen 2.665 N/A ARG 55.A N MET 52.A O no hydrogen 3.093 N/A ARG 56.A N LEU 53.A O no hydrogen 3.043 N/A GLU 58.A N PHE 2.A O no hydrogen 2.737 N/A MET 60.A N PRO 81.A O no hydrogen 3.007 N/A VAL 61.A N GLY 4.A O no hydrogen 2.783 N/A LEU 62.A N VAL 83.A O no hydrogen 2.755 N/A SER 63.A N LEU 6.A O no hydrogen 3.045 N/A SER 63.A OG LEU 6.A O no hydrogen 2.908 N/A TYR 64.A N ILE 85.A O no hydrogen 2.990 N/A HIS 67.A ND1 GLU 45.A OE1 no hydrogen 2.769 N/A HIS 67.A NE2 GLU 84.A OE2 no hydrogen 2.622 N/A THR 68.A OG1 GLU 46.A OE1 no hydrogen 2.741 N/A THR 68.A OG1 THR 71.A OG1 no hydrogen 3.031 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.776 N/A THR 71.A N THR 68.A OG1 no hydrogen 3.056 N/A THR 71.A OG1 THR 68.A OG1 no hydrogen 3.031 N/A ILE 72.A N THR 68.A O no hydrogen 3.187 N/A ARG 73.A N GLU 69.A O no hydrogen 3.018 N/A ARG 73.A NE GLN 70.A OE1 no hydrogen 3.082 N/A ARG 73.A NH2 GLN 70.A OE1 no hydrogen 2.922 N/A LEU 74.A N GLN 70.A O no hydrogen 2.895 N/A LEU 75.A N THR 71.A O no hydrogen 2.953 N/A GLN 76.A N ILE 72.A O no hydrogen 2.745 N/A ARG 77.A N ARG 73.A O no hydrogen 2.958 N/A ALA 78.A N LEU 75.A O no hydrogen 3.305 N/A VAL 83.A N MET 60.A O no hydrogen 2.912 N/A GLU 84.A N HIS 95.A O no hydrogen 3.007 N/A ILE 85.A N LEU 62.A O no hydrogen 2.869 N/A TRP 86.A N VAL 97.A O no hydrogen 3.001 N/A TRP 86.A NE1 THR 18.A OG1 no hydrogen 2.922 N/A LYS 88.A N GLU 87.A OE1 no hydrogen 2.961 N/A LYS 88.A NZ THR 256.A OG1 no hydrogen 2.734 N/A ILE 93.A N GLU 84.A OE1 no hydrogen 2.967 N/A HIS 95.A N ILE 82.A O no hydrogen 2.897 N/A THR 96.A N GLN 253.A O no hydrogen 2.975 N/A THR 96.A OG1 HIS 254.A ND1 no hydrogen 2.761 N/A VAL 97.A N GLU 84.A O no hydrogen 3.047 N/A GLY 98.A N ILE 255.A O no hydrogen 2.962 N/A ASN 101.A N GLU 87.A OE1 no hydrogen 2.836 N/A ASN 101.A ND2 TRP 86.A O no hydrogen 2.965 N/A ASN 101.A ND2 GLU 87.A OE1 no hydrogen 2.894 N/A ASN 101.A ND2 PHE 99.A O no hydrogen 3.604 N/A ARG 103.A N SER 100.A OG no hydrogen 2.969 N/A ALA 104.A N SER 100.A O no hydrogen 3.003 N/A ALA 105.A N ASN 101.A O no hydrogen 3.057 N/A TYR 106.A N GLU 102.A O no hydrogen 2.910 N/A TYR 106.A OH GLU 146.A OE1 no hydrogen 2.561 N/A ASP 107.A N ARG 103.A O no hydrogen 2.751 N/A MET 108.A N ALA 104.A O no hydrogen 2.975 N/A THR 109.A N ALA 105.A O no hydrogen 2.878 N/A THR 109.A OG1 ALA 105.A O no hydrogen 2.769 N/A ASN 110.A N TYR 106.A O no hydrogen 2.880 N/A ALA 111.A N ASP 107.A O no hydrogen 2.931 N/A LEU 112.A N MET 108.A O no hydrogen 2.922 N/A LEU 113.A N THR 109.A O no hydrogen 2.961 N/A ALA 114.A N ASN 110.A O no hydrogen 2.857 N/A ARG 115.A N ALA 111.A O no hydrogen 3.193 N/A ARG 115.A N LEU 112.A O no hydrogen 3.071 N/A ARG 115.A NE GLU 270.A OE2 no hydrogen 2.948 N/A ARG 115.A NH1 ALA 111.A O no hydrogen 3.135 N/A GLY 116.A N LEU 113.A O no hydrogen 2.990 N/A PHE 117.A N LEU 112.A O no hydrogen 3.256 N/A ARG 118.A N ASP 182.A OD2 no hydrogen 3.182 N/A VAL 121.A N CYS 183.A O no hydrogen 2.910 N/A PHE 122.A N GLN 153.A O no hydrogen 3.013 N/A LEU 123.A N PHE 185.A O no hydrogen 2.924 N/A GLY 124.A N ILE 155.A O no hydrogen 2.939 N/A LYS 126.A N LEU 157.A O no hydrogen 3.217 N/A THR 131.A N ASP 128.A O no hydrogen 3.113 N/A THR 131.A OG1 ASP 128.A O no hydrogen 2.614 N/A ARG 132.A N ASP 65.A OD1 no hydrogen 2.838 N/A ARG 132.A NE TYR 64.A O no hydrogen 3.128 N/A ARG 132.A NE ASP 65.A OD1 no hydrogen 3.098 N/A ARG 132.A NE ASP 65.A OD2 no hydrogen 3.197 N/A ARG 132.A NH2 ASP 65.A OD2 no hydrogen 2.893 N/A ALA 135.A N THR 131.A O no hydrogen 3.287 N/A ARG 136.A N ARG 132.A O no hydrogen 3.024 N/A ARG 136.A NE ASN 101.A OD1 no hydrogen 2.739 N/A ARG 136.A NH1 VAL 187.A O no hydrogen 2.771 N/A ARG 136.A NH2 ASN 101.A OD1 no hydrogen 2.851 N/A ARG 137.A N GLY 133.A O no hydrogen 2.983 N/A ARG 137.A NE GLU 154.A OE1 no hydrogen 2.872 N/A ARG 137.A NH1 ASP 128.A OD1 no hydrogen 3.409 N/A ARG 137.A NH1 ASP 128.A OD2 no hydrogen 2.730 N/A ARG 137.A NH2 GLU 125.A O no hydrogen 2.959 N/A ARG 137.A NH2 ASP 128.A OD2 no hydrogen 3.455 N/A ALA 138.A N ALA 134.A O no hydrogen 2.988 N/A GLY 139.A N ALA 135.A O no hydrogen 2.949 N/A PHE 140.A N ARG 136.A O no hydrogen 3.014 N/A LYS 141.A N ARG 137.A O no hydrogen 2.909 N/A ARG 142.A N ALA 138.A O no hydrogen 2.932 N/A ARG 142.A NE GLU 102.A OE2 no hydrogen 2.800 N/A ARG 142.A NH1 GLU 146.A OE2 no hydrogen 3.277 N/A ARG 142.A NH2 GLU 102.A OE1 no hydrogen 2.947 N/A ALA 143.A N GLY 139.A O no hydrogen 3.061 N/A MET 144.A N PHE 140.A O no hydrogen 3.003 N/A ARG 145.A N LYS 141.A O no hydrogen 2.782 N/A GLU 146.A N ARG 142.A O no hydrogen 2.818 N/A ALA 147.A N ALA 143.A O no hydrogen 3.105 N/A ALA 147.A N MET 144.A O no hydrogen 3.187 N/A GLY 148.A N ARG 145.A O no hydrogen 3.090 N/A LEU 149.A N MET 144.A O no hydrogen 2.888 N/A ASP 152.A N ASN 150.A OD1 no hydrogen 2.786 N/A GLN 153.A NE2 ILE 120.A O no hydrogen 2.883 N/A GLU 154.A N TYR 178.A OH no hydrogen 3.242 N/A ILE 155.A N PHE 122.A O no hydrogen 2.917 N/A ARG 156.A NE.A GLU 154.A OE1 no hydrogen 3.147 N/A ARG 156.A NE.A GLU 154.A OE2 no hydrogen 3.114 N/A ARG 156.A NE.B GLU 125.A O no hydrogen 2.903 N/A ARG 156.A NH2.A GLU 154.A OE2 no hydrogen 2.780 N/A ARG 156.A NH2.B GLU 125.A O no hydrogen 3.171 N/A LEU 157.A N GLY 124.A O no hydrogen 3.102 N/A LEU 162.A N GLU 125.A OE1 no hydrogen 2.747 N/A SER 163.A N ASP 166.A OD2 no hydrogen 2.865 N/A ASP 166.A N SER 163.A OG no hydrogen 2.897 N/A GLY 167.A N SER 163.A O no hydrogen 3.057 N/A VAL 168.A N ILE 164.A O no hydrogen 3.091 N/A ALA 169.A N GLU 165.A O no hydrogen 3.137 N/A ALA 170.A N ASP 166.A O no hydrogen 2.910 N/A ALA 170.A N GLY 167.A O no hydrogen 3.152 N/A ALA 171.A N VAL 168.A O no hydrogen 3.325 N/A ILE 174.A N ALA 170.A O no hydrogen 2.859 N/A LEU 175.A N ALA 171.A O no hydrogen 3.083 N/A GLN 176.A N GLU 172.A O no hydrogen 2.974 N/A GLU 177.A N LEU 173.A O no hydrogen 2.991 N/A TYR 178.A N ILE 174.A O no hydrogen 2.716 N/A TYR 178.A OH ASP 152.A O no hydrogen 3.343 N/A TYR 178.A OH GLU 154.A O no hydrogen 3.323 N/A THR 181.A N TYR 178.A O no hydrogen 3.085 N/A THR 181.A OG1 TYR 178.A O no hydrogen 2.691 N/A ASP 182.A N LYS 119.A O no hydrogen 3.056 N/A ILE 184.A N SER 211.A O no hydrogen 2.917 N/A PHE 185.A N VAL 121.A O no hydrogen 2.871 N/A CYS 186.A N VAL 213.A O no hydrogen 2.744 N/A CYS 186.A SG VAL 213.A O no hydrogen 3.772 N/A VAL 187.A N LEU 123.A O no hydrogen 2.881 N/A ASP 189.A N PHE 215.A O no hydrogen 3.033 N/A MET 190.A N SER 188.A OG no hydrogen 3.220 N/A ALA 192.A N SER 188.A O no hydrogen 3.417 N/A PHE 193.A N ASP 189.A O no hydrogen 2.826 N/A GLY 194.A N MET 190.A O no hydrogen 3.166 N/A LEU 195.A N PRO 191.A O no hydrogen 2.799 N/A LEU 196.A N ALA 192.A O no hydrogen 2.889 N/A SER 197.A N PHE 193.A O no hydrogen 2.904 N/A ARG 198.A N GLY 194.A O no hydrogen 2.932 N/A ARG 198.A NE GLU 172.A OE2 no hydrogen 3.386 N/A ARG 198.A NH2 GLU 172.A OE1 no hydrogen 2.881 N/A LEU 199.A N LEU 195.A O no hydrogen 2.871 N/A LYS 200.A N LEU 196.A O no hydrogen 2.963 N/A LYS 200.A NZ SER 225.A O no hydrogen 2.896 N/A SER 201.A N SER 197.A O no hydrogen 2.984 N/A SER 201.A OG.B SER 197.A O no hydrogen 3.173 N/A ILE 202.A N ARG 198.A O no hydrogen 3.000 N/A GLY 203.A N LEU 199.A O no hydrogen 2.944 N/A VAL 204.A N LEU 199.A O no hydrogen 2.893 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.784 N/A GLN 209.A N ALA 205.A O no hydrogen 2.782 N/A VAL 210.A N ALA 205.A O no hydrogen 3.172 N/A SER 211.A N ASP 182.A O no hydrogen 2.953 N/A VAL 212.A N SER 266.A O no hydrogen 2.974 N/A VAL 213.A N ILE 184.A O no hydrogen 2.871 N/A GLY 214.A N SER 229.A O no hydrogen 2.809 N/A GLY 216.A N VAL 231.A O no hydrogen 2.764 N/A ASN 217.A N THR 230.A OG1 no hydrogen 3.030 N/A PHE 218.A N ASP 189.A OD2 no hydrogen 2.724 N/A SER 221.A N PHE 218.A O no hydrogen 3.007 N/A SER 221.A OG ASP 189.A OD2 no hydrogen 3.357 N/A SER 221.A OG PHE 218.A O no hydrogen 2.690 N/A ARG 222.A N GLU 219.A O no hydrogen 3.037 N/A ARG 222.A NE ASN 217.A OD1 no hydrogen 2.930 N/A ARG 222.A NH1 ASN 217.A O no hydrogen 2.964 N/A PHE 223.A N VAL 220.A O no hydrogen 3.258 N/A ALA 224.A N VAL 220.A O no hydrogen 2.939 N/A ILE 228.A N SER 221.A O no hydrogen 2.821 N/A SER 229.A N SER 266.A OG no hydrogen 2.818 N/A SER 229.A OG SER 266.A OG no hydrogen 3.282 N/A THR 230.A N GLU 262.A O no hydrogen 2.883 N/A THR 230.A OG1 ASP 189.A OD1 no hydrogen 2.656 N/A THR 230.A OG1 ASP 189.A OD2 no hydrogen 3.235 N/A ARG 232.A N VAL 260.A O no hydrogen 2.702 N/A ALA 237.A N ASP 234.A OD1 no hydrogen 3.075 N/A ILE 238.A N ASP 234.A O no hydrogen 3.003 N/A GLY 239.A N PRO 235.A O no hydrogen 2.971 N/A ARG 240.A N ILE 236.A O no hydrogen 2.891 N/A ARG 240.A NE GLU 241.A OE2 no hydrogen 3.242 N/A ARG 240.A NH2 GLU 241.A OE2 no hydrogen 2.808 N/A GLU 241.A N ALA 237.A O no hydrogen 2.814 N/A THR 242.A N ILE 238.A O no hydrogen 3.048 N/A THR 242.A OG1 ILE 238.A O no hydrogen 2.839 N/A GLY 243.A N GLY 239.A O no hydrogen 2.961 N/A SER 244.A N ARG 240.A O no hydrogen 2.873 N/A SER 244.A OG ARG 240.A O no hydrogen 3.020 N/A LEU 245.A N GLU 241.A O no hydrogen 2.964 N/A ILE 246.A N THR 242.A O no hydrogen 3.058 N/A LEU 247.A N GLY 243.A O no hydrogen 3.116 N/A ARG 248.A N SER 244.A O no hydrogen 3.001 N/A LEU 249.A N LEU 245.A O no hydrogen 2.958 N/A LEU 250.A N ILE 246.A O no hydrogen 3.056 N/A LEU 250.A N LEU 247.A O no hydrogen 3.308 N/A ASP 251.A N ARG 248.A O no hydrogen 3.406 N/A GLN 253.A N HIS 95.A ND1 no hydrogen 2.930 N/A HIS 254.A ND1 THR 96.A OG1 no hydrogen 2.761 N/A ILE 255.A N THR 96.A O no hydrogen 2.849 N/A LEU 257.A N GLY 98.A O no hydrogen 2.884 N/A VAL 260.A N ARG 232.A O no hydrogen 2.931 N/A GLU 262.A N THR 230.A O no hydrogen 2.814 N/A ARG 264.A N SER 229.A OG no hydrogen 2.842 N/A ARG 264.A NH1 SER 221.A OG no hydrogen 2.888 N/A ARG 264.A NH1 ILE 228.A O no hydrogen 2.994 N/A ARG 264.A NH2 ASN 217.A OD1 no hydrogen 2.852 N/A SER 266.A N GLU 227.A O no hydrogen 3.046 N/A SER 266.A OG VAL 212.A O no hydrogen 2.644 N/A SER 266.A OG SER 229.A OG no hydrogen 3.282 N/A LEU 267.A N ARG 264.A O no hydrogen 2.951 N/A LYS 268.A N SER 211.A OG no hydrogen 2.956 N/A GLU 270.A N LEU 267.A O no hydrogen 3.020 N/A