Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6gro_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N PHE 7.A O no hydrogen 2.738 N/A ASN 6.A ND2 ASN 26.A OD1 no hydrogen 2.977 N/A PHE 7.A N VAL 3.A O no hydrogen 3.070 N/A ARG 8.A N LYS 25.A O no hydrogen 2.838 N/A VAL 9.A N LEU 1.A O no hydrogen 3.025 N/A GLY 10.A N LEU 23.A O no hydrogen 2.716 N/A ILE 13.A N LEU 21.A O no hydrogen 2.664 N/A GLY 14.A N LEU 21.A O no hydrogen 3.380 N/A CYS 15.A SG.B GLY 16.A O no hydrogen 3.722 N/A GLY 16.A N GLY 19.A O no hydrogen 3.095 N/A ASN 17.A N ASP 149.A OD2 no hydrogen 2.785 N/A ASN 17.A ND2 ASP 126.A OD2 no hydrogen 2.667 N/A ASN 17.A ND2 ASP 149.A OD1 no hydrogen 2.960 N/A GLU 20.A N LEU 37.A O no hydrogen 2.847 N/A LEU 21.A N GLY 14.A O no hydrogen 2.970 N/A ARG 22.A N ILE 35.A O no hydrogen 2.752 N/A ARG 22.A NH1.A GLY 10.A O no hydrogen 2.808 N/A ARG 22.A NH1.B GLU 20.A OE1 no hydrogen 2.696 N/A ARG 22.A NH2.B GLU 20.A OE1 no hydrogen 2.735 N/A LEU 23.A N LYS 11.A O no hydrogen 2.795 N/A GLY 24.A N VAL 33.A O no hydrogen 2.851 N/A LYS 25.A N ARG 8.A O no hydrogen 2.941 N/A LYS 25.A NZ ASN 30.A OD1 no hydrogen 3.007 N/A ASN 26.A N GLU 31.A O no hydrogen 2.782 N/A LEU 27.A N ASN 6.A O no hydrogen 2.862 N/A TYR 28.A N ASN 26.A OD1 no hydrogen 2.909 N/A THR 29.A N ASN 26.A O no hydrogen 3.237 N/A ASN 30.A N ASN 26.A O no hydrogen 2.851 N/A GLU 31.A N ASN 26.A O no hydrogen 3.438 N/A VAL 33.A N GLY 24.A O no hydrogen 2.949 N/A ALA 34.A N LEU 80.A O no hydrogen 2.866 N/A ILE 35.A N ARG 22.A O no hydrogen 2.839 N/A LYS 36.A N MET 78.A O no hydrogen 2.884 N/A LYS 36.A NZ ASN 17.A O no hydrogen 2.803 N/A LYS 36.A NZ GLU 50.A OE1 no hydrogen 2.732 N/A LEU 37.A N GLU 20.A O no hydrogen 2.724 N/A GLU 38.A N ASN 76.A O no hydrogen 2.833 N/A MET 40.A N LYS 74.A O no hydrogen 2.899 N/A SER 42.A N PRO 39.A O no hydrogen 3.092 N/A ALA 44.A N SER 42.A OG no hydrogen 3.009 N/A GLN 46.A N GLU 38.A OE2 no hydrogen 2.621 N/A LEU 47.A N GLU 38.A OE1 no hydrogen 3.480 N/A LEU 47.A N GLU 38.A OE2 no hydrogen 3.036 N/A GLU 50.A N GLN 46.A O no hydrogen 3.248 N/A TYR 51.A N LEU 47.A O no hydrogen 2.936 N/A ARG 52.A N HIS 48.A O no hydrogen 3.166 N/A PHE 53.A N LEU 49.A O no hydrogen 3.051 N/A TYR 54.A N GLU 50.A O no hydrogen 2.963 N/A LYS 55.A N TYR 51.A O no hydrogen 3.028 N/A GLN 56.A N ARG 52.A O no hydrogen 2.892 N/A GLN 56.A NE2 LYS 120.A O no hydrogen 2.904 N/A GLN 56.A NE2 GLU 155.A OE1 no hydrogen 3.114 N/A LEU 57.A N PHE 53.A O no hydrogen 2.990 N/A LEU 57.A N TYR 54.A O no hydrogen 3.120 N/A GLY 58.A N LYS 55.A O no hydrogen 3.090 N/A SER 59.A OG GLY 60.A O no hydrogen 2.936 N/A SER 59.A OG ILE 63.A O no hydrogen 3.030 N/A ILE 63.A N GLY 60.A O no hydrogen 3.095 N/A GLN 65.A N GLU 81.A OE1 no hydrogen 3.006 N/A TYR 67.A N VAL 79.A O no hydrogen 2.771 N/A TYR 67.A OH GLN 65.A OE1.B no hydrogen 2.634 N/A GLY 70.A N ALA 77.A O no hydrogen 2.895 N/A CYS 72.A N TYR 75.A O no hydrogen 2.805 N/A CYS 72.A SG MET 2.A O no hydrogen 3.435 N/A TYR 75.A N CYS 72.A O no hydrogen 2.916 N/A ASN 76.A N GLU 38.A O no hydrogen 2.793 N/A ALA 77.A N GLY 70.A O no hydrogen 2.799 N/A MET 78.A N LYS 36.A O no hydrogen 2.897 N/A VAL 79.A N TYR 68.A O no hydrogen 2.826 N/A LEU 80.A N ALA 34.A O no hydrogen 2.819 N/A GLU 81.A N GLN 65.A O no hydrogen 2.847 N/A GLY 84.A N ILE 134.A O no hydrogen 2.736 N/A SER 86.A N ASP 89.A OD2 no hydrogen 3.098 N/A LEU 87.A N PHE 132.A O no hydrogen 2.782 N/A ASP 89.A N SER 86.A OG no hydrogen 3.050 N/A LEU 90.A N SER 86.A O no hydrogen 2.931 N/A PHE 91.A N LEU 87.A O no hydrogen 2.754 N/A ASP 92.A N GLU 88.A O no hydrogen 2.965 N/A LEU 93.A N ASP 89.A O no hydrogen 3.011 N/A CYS 94.A N LEU 90.A O no hydrogen 3.033 N/A CYS 94.A N PHE 91.A O no hydrogen 3.028 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.367 N/A ASP 95.A N ASP 92.A O no hydrogen 3.165 N/A ARG 96.A N PHE 91.A O no hydrogen 2.826 N/A ARG 96.A NH1 GLU 88.A OE2 no hydrogen 2.860 N/A ARG 96.A NH1 ASP 92.A OD1 no hydrogen 2.794 N/A ARG 96.A NH2 TYR 205.A OH no hydrogen 2.825 N/A THR 97.A OG1.B ARG 96.A O no hydrogen 2.761 N/A PHE 98.A N PHE 206.A O no hydrogen 2.979 N/A SER 99.A N ASP 288.A OD2 no hydrogen 2.677 N/A SER 99.A OG ASP 288.A OD1 no hydrogen 2.673 N/A SER 99.A OG ASP 288.A OD2 no hydrogen 3.402 N/A LYS 101.A NZ MET 282.A O no hydrogen 3.154 N/A LYS 101.A NZ ASP 284.A OD1 no hydrogen 2.772 N/A LYS 101.A NZ ASP 284.A OD2 no hydrogen 3.390 N/A THR 102.A N SER 99.A OG no hydrogen 3.159 N/A VAL 103.A N SER 99.A O no hydrogen 2.953 N/A LEU 104.A N LEU 100.A O no hydrogen 2.813 N/A MET 105.A N LYS 101.A O no hydrogen 2.981 N/A ILE 106.A N THR 102.A O no hydrogen 2.955 N/A ALA 107.A N VAL 103.A O no hydrogen 2.749 N/A ILE 108.A N LEU 104.A O no hydrogen 2.876 N/A GLN 109.A N MET 105.A O no hydrogen 3.359 N/A GLN 109.A NE2 MET 105.A O no hydrogen 2.950 N/A GLN 109.A NE2 TYR 287.A OH no hydrogen 2.892 N/A LEU 110.A N ILE 106.A O no hydrogen 2.847 N/A ILE 111.A N ALA 107.A O no hydrogen 2.884 N/A SER 112.A N ILE 108.A O no hydrogen 3.472 N/A SER 112.A OG ILE 108.A O no hydrogen 3.462 N/A ARG 113.A N GLN 109.A O no hydrogen 2.834 N/A ARG 113.A NE ILE 145.A O no hydrogen 2.908 N/A ARG 113.A NH2 ILE 145.A O no hydrogen 2.907 N/A MET 114.A N LEU 110.A O no hydrogen 2.906 N/A GLU 115.A N ILE 111.A O no hydrogen 2.872 N/A TYR 116.A N SER 112.A O no hydrogen 2.890 N/A TYR 116.A OH LEU 57.A O no hydrogen 2.379 N/A VAL 117.A N ARG 113.A O no hydrogen 3.028 N/A HIS 118.A N MET 114.A O no hydrogen 2.871 N/A HIS 118.A ND1 TYR 265.A OH no hydrogen 2.628 N/A HIS 118.A NE2 ASP 195.A OD2 no hydrogen 2.785 N/A SER 119.A N GLU 115.A O no hydrogen 2.831 N/A SER 119.A OG TYR 116.A O no hydrogen 2.661 N/A LYS 120.A N TYR 116.A O no hydrogen 3.240 N/A LYS 120.A N VAL 117.A O no hydrogen 3.029 N/A ASN 121.A N HIS 118.A O no hydrogen 2.978 N/A LEU 122.A N VAL 117.A O no hydrogen 3.340 N/A ILE 123.A N LYS 154.A O no hydrogen 2.804 N/A TYR 124.A N ASP 195.A OD2 no hydrogen 2.907 N/A TYR 124.A OH ILE 148.A O no hydrogen 2.625 N/A TYR 124.A OH ASP 149.A O no hydrogen 3.399 N/A ARG 125.A N ASP 195.A OD1 no hydrogen 2.926 N/A ARG 125.A NE LEU 152.A O no hydrogen 2.768 N/A ARG 125.A NH1 LEU 152.A O no hydrogen 2.924 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.807 N/A ASN 131.A N LYS 128.A O no hydrogen 3.017 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.942 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 3.035 N/A PHE 132.A N PRO 129.A O no hydrogen 3.356 N/A LEU 133.A N HIS 146.A O no hydrogen 2.980 N/A ILE 134.A N PRO 85.A O no hydrogen 3.070 N/A ASN 139.A N ARG 136.A O no hydrogen 2.808 N/A GLN 142.A N ASN 139.A O no hydrogen 3.371 N/A GLN 143.A N GLN 143.A OE1.A no hydrogen 2.893 N/A GLN 143.A NE2.A LYS 140.A O no hydrogen 2.833 N/A VAL 144.A N THR 141.A O no hydrogen 2.985 N/A ILE 145.A N GLN 109.A OE1 no hydrogen 3.106 N/A HIS 146.A N LEU 133.A O no hydrogen 2.737 N/A HIS 146.A ND1 LEU 133.A O no hydrogen 3.135 N/A ILE 147.A N GLY 62.A O no hydrogen 3.066 N/A ILE 148.A N ASN 131.A O no hydrogen 2.977 N/A ASP 149.A N TYR 54.A OH no hydrogen 3.027 N/A PHE 150.A N GLU 50.A OE2 no hydrogen 2.970 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 3.221 N/A ALA 153.A N PHE 150.A O no hydrogen 3.150 N/A LYS 154.A N ILE 123.A O no hydrogen 2.988 N/A LYS 154.A NZ GLU 189.A OE1 no hydrogen 3.350 N/A LYS 154.A NZ GLU 189.A OE2 no hydrogen 2.928 N/A TYR 156.A N ASN 121.A O no hydrogen 2.952 N/A TYR 156.A OH HIS 118.A O no hydrogen 2.701 N/A ASP 158.A N LYS 163.A O no hydrogen 2.897 N/A THR 161.A N ASP 158.A OD2 no hydrogen 2.544 N/A THR 161.A OG1 ASP 158.A OD2 no hydrogen 3.043 N/A LYS 162.A N ASP 158.A O no hydrogen 2.712 N/A LYS 163.A N THR 161.A OG1 no hydrogen 3.017 N/A HIS 164.A ND1 ILE 165.A O no hydrogen 2.872 N/A ILE 165.A N TYR 156.A O no hydrogen 2.831 N/A TYR 167.A OH GLU 169.A OE2 no hydrogen 2.662 N/A ARG 168.A NE GLU 169.A O no hydrogen 3.014 N/A ARG 168.A NH2 GLU 169.A O no hydrogen 2.970 N/A HIS 170.A N GLY 187.A O no hydrogen 2.578 N/A HIS 170.A NE2 GLU 189.A OE1 no hydrogen 2.826 N/A THR 176.A OG1 ASP 126.A OD1 no hydrogen 3.070 N/A ARG 178.A NH1 TYR 179.A OH no hydrogen 3.222 N/A TYR 179.A N THR 176.A O no hydrogen 3.046 N/A MET 180.A N THR 176.A O no hydrogen 3.066 N/A SER 181.A OG THR 184.A OG1 no hydrogen 2.709 N/A SER 181.A OG ASP 194.A OD1 no hydrogen 2.551 N/A ILE 182.A N GLU 197.A OE2 no hydrogen 2.917 N/A THR 184.A N SER 181.A OG no hydrogen 3.001 N/A THR 184.A OG1 SER 181.A OG no hydrogen 2.709 N/A HIS 185.A N SER 181.A O no hydrogen 3.273 N/A LEU 186.A N ILE 182.A O no hydrogen 3.332 N/A LEU 186.A N ASN 183.A O no hydrogen 3.116 N/A GLY 187.A N THR 184.A O no hydrogen 2.966 N/A LYS 188.A N ASN 183.A O no hydrogen 3.210 N/A LYS 188.A NZ ASN 183.A OD1 no hydrogen 2.868 N/A GLU 189.A N ARG 168.A O no hydrogen 2.892 N/A GLN 190.A NE2 THR 174.A O no hydrogen 2.884 N/A SER 191.A N ASP 194.A OD2 no hydrogen 2.868 N/A SER 191.A OG PHE 259.A O no hydrogen 2.675 N/A ARG 192.A NH2 PHE 260.A O no hydrogen 2.980 N/A ARG 193.A NH1 LEU 257.A O no hydrogen 2.841 N/A ASP 194.A N SER 191.A O no hydrogen 3.018 N/A LEU 196.A N ARG 192.A O no hydrogen 3.402 N/A GLU 197.A N ARG 193.A O no hydrogen 2.910 N/A ALA 198.A N ASP 194.A O no hydrogen 2.987 N/A LEU 199.A N ASP 195.A O no hydrogen 3.050 N/A GLY 200.A N LEU 196.A O no hydrogen 3.039 N/A HIS 201.A N GLU 197.A O no hydrogen 2.933 N/A HIS 201.A ND1 TYR 179.A O no hydrogen 2.896 N/A MET 202.A N ALA 198.A O no hydrogen 2.959 N/A PHE 203.A N LEU 199.A O no hydrogen 2.833 N/A MET 204.A N GLY 200.A O no hydrogen 3.045 N/A TYR 205.A N HIS 201.A O no hydrogen 2.946 N/A TYR 205.A OH GLU 88.A OE1 no hydrogen 2.661 N/A PHE 206.A N MET 202.A O no hydrogen 3.028 N/A LEU 207.A N PHE 203.A O no hydrogen 3.045 N/A ARG 208.A N MET 204.A O no hydrogen 2.847 N/A ARG 208.A NE SER 210.A O no hydrogen 3.011 N/A ARG 208.A NH1 LEU 240.A O no hydrogen 2.961 N/A GLY 209.A N TYR 205.A O no hydrogen 2.851 N/A LEU 211.A N GLN 214.A OE1 no hydrogen 2.720 N/A TRP 213.A NE1 ARG 178.A O no hydrogen 2.767 N/A GLN 214.A N LEU 211.A O no hydrogen 3.110 N/A GLU 223.A N THR 220.A OG1 no hydrogen 3.136 N/A ARG 224.A N THR 220.A O no hydrogen 2.958 N/A ARG 224.A NE LEU 216.A O no hydrogen 3.354 N/A TYR 225.A N LEU 221.A O no hydrogen 2.926 N/A GLN 226.A N LYS 222.A O no hydrogen 2.982 N/A GLN 226.A NE2.A ASP 230.A OD1 no hydrogen 2.911 N/A GLN 226.A NE2.B ASP 230.A OD2 no hydrogen 2.629 N/A LYS 227.A N GLU 223.A O no hydrogen 2.890 N/A LYS 227.A NZ LYS 217.A O no hydrogen 2.721 N/A ILE 228.A N ARG 224.A O no hydrogen 3.025 N/A GLY 229.A N TYR 225.A O no hydrogen 2.934 N/A ASP 230.A N GLN 226.A O no hydrogen 2.838 N/A THR 231.A N LYS 227.A O no hydrogen 2.931 N/A THR 231.A OG1 LYS 227.A O no hydrogen 3.228 N/A LYS 232.A N ILE 228.A O no hydrogen 2.938 N/A LYS 232.A NZ ALA 177.A O no hydrogen 2.698 N/A LYS 232.A NZ MET 180.A O no hydrogen 2.746 N/A LYS 232.A NZ HIS 185.A NE2 no hydrogen 2.840 N/A ARG 233.A N GLY 229.A O no hydrogen 2.933 N/A ARG 233.A NH2.A ASP 230.A OD1 no hydrogen 2.788 N/A ALA 234.A N ASP 230.A O no hydrogen 2.952 N/A THR 235.A N LYS 232.A O no hydrogen 3.348 N/A THR 235.A OG1 THR 231.A O no hydrogen 2.740 N/A VAL 239.A N PRO 236.A O no hydrogen 3.049 N/A LEU 240.A N PRO 236.A O no hydrogen 2.932 N/A CYS 241.A N ILE 237.A O no hydrogen 2.849 N/A GLU 242.A N VAL 239.A O no hydrogen 3.270 N/A PHE 244.A N CYS 241.A O no hydrogen 2.878 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.827 N/A ALA 248.A N PHE 244.A O no hydrogen 3.105 N/A THR 249.A N PRO 245.A O no hydrogen 2.978 N/A THR 249.A OG1 PRO 245.A O no hydrogen 3.126 N/A TYR 250.A N GLU 246.A O no hydrogen 2.891 N/A TYR 250.A OH LEU 196.A O no hydrogen 2.764 N/A LEU 251.A N MET 247.A O no hydrogen 2.873 N/A ARG 252.A N ALA 248.A O no hydrogen 2.926 N/A ARG 252.A NH1 GLU 238.A OE2 no hydrogen 2.731 N/A TYR 253.A N THR 249.A O no hydrogen 2.971 N/A VAL 254.A N TYR 250.A O no hydrogen 2.971 N/A ARG 255.A N LEU 251.A O no hydrogen 2.909 N/A ARG 255.A NE GLU 197.A OE2 no hydrogen 2.878 N/A ARG 255.A NH2 HIS 201.A NE2 no hydrogen 2.910 N/A ARG 256.A N ARG 252.A O no hydrogen 3.140 N/A ARG 256.A N TYR 253.A O no hydrogen 3.189 N/A LEU 257.A N VAL 254.A O no hydrogen 3.314 N/A ASP 258.A N GLU 261.A OE1 no hydrogen 2.929 N/A PHE 260.A N ASP 258.A OD2 no hydrogen 2.955 N/A GLU 261.A N ASP 258.A O no hydrogen 3.128 N/A ASP 264.A N TYR 253.A OH no hydrogen 2.875 N/A TYR 265.A OH HIS 118.A ND1 no hydrogen 2.628 N/A TYR 267.A N ASP 264.A OD1 no hydrogen 2.978 N/A LEU 268.A N ASP 264.A O no hydrogen 3.109 N/A ARG 269.A N TYR 265.A O no hydrogen 2.912 N/A ARG 269.A NH1 SER 112.A OG no hydrogen 2.934 N/A ARG 269.A NH1 GLU 115.A OE1 no hydrogen 2.852 N/A ARG 269.A NH2 GLU 115.A OE1 no hydrogen 2.865 N/A ARG 269.A NH2 ASP 266.A OD1 no hydrogen 2.929 N/A LYS 270.A N ASP 266.A O no hydrogen 2.898 N/A LYS 270.A NZ ASP 274.A OD1 no hydrogen 3.400 N/A LYS 270.A NZ ASP 274.A OD2 no hydrogen 2.799 N/A LEU 271.A N TYR 267.A O no hydrogen 2.978 N/A THR 273.A N ARG 269.A O no hydrogen 2.766 N/A THR 273.A OG1 ARG 269.A O no hydrogen 3.407 N/A ASP 274.A N LYS 270.A O no hydrogen 2.893 N/A LEU 275.A N LEU 271.A O no hydrogen 3.281 N/A PHE 276.A N PHE 272.A O no hydrogen 2.861 N/A ASP 277.A N THR 273.A O no hydrogen 2.970 N/A ARG 278.A N ASP 274.A O no hydrogen 2.916 N/A ARG 278.A NH1 GLU 246.A OE2 no hydrogen 2.877 N/A LYS 279.A N LEU 275.A O no hydrogen 2.944 N/A GLY 280.A N ASP 277.A O no hydrogen 3.001 N/A TYR 281.A N PHE 276.A O no hydrogen 3.130 N/A GLU 286.A N ASP 284.A OD1 no hydrogen 2.987 N/A TYR 287.A OH GLN 143.A O no hydrogen 2.602 N/A ASP 288.A N THR 102.A OG1 no hydrogen 2.845 N/A ILE 290.A N TYR 287.A O no hydrogen 3.057 N/A LYS 292.A N TRP 289.A O no hydrogen 3.054 N/A