Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xto_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLY 3.A O no hydrogen 2.933 N/A ASN 6.A ND2 GLN 154.A OE1 no hydrogen 2.947 N/A PHE 7.A N GLU 157.A OE2 no hydrogen 2.723 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.796 N/A ASN 9.A N ASN 6.A O no hydrogen 3.037 N/A ASN 9.A ND2 ASN 6.A O no hydrogen 3.328 N/A ASN 9.A ND2 PHE 101.A O no hydrogen 2.860 N/A ILE 11.A N PHE 7.A O no hydrogen 2.974 N/A GLY 12.A N GLU 8.A O no hydrogen 2.837 N/A ALA 13.A N ASN 9.A O no hydrogen 2.542 N/A THR 14.A N ILE 11.A O no hydrogen 3.355 N/A THR 14.A OG1 PHE 10.A O no hydrogen 2.826 N/A THR 14.A OG1 ILE 11.A O no hydrogen 3.549 N/A GLU 15.A N THR 14.A OG1 no hydrogen 2.538 N/A GLY 16.A N ILE 11.A O no hydrogen 2.750 N/A PHE 17.A N TYR 92.A O no hydrogen 2.782 N/A SER 18.A N GLU 233.A OE1 no hydrogen 2.885 N/A SER 18.A OG GLU 233.A OE1 no hydrogen 3.376 N/A SER 18.A OG GLU 233.A OE2 no hydrogen 2.650 N/A ALA 21.A N SER 18.A OG no hydrogen 3.232 N/A TYR 22.A N SER 18.A O no hydrogen 2.880 N/A GLN 23.A N GLU 19.A O no hydrogen 2.697 N/A GLN 23.A NE2 GLU 19.A OE1 no hydrogen 3.500 N/A GLN 23.A NE2 GLU 19.A OE2 no hydrogen 3.023 N/A PHE 24.A N ILE 20.A O no hydrogen 2.982 N/A THR 25.A N ALA 21.A O no hydrogen 3.254 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.700 N/A SER 26.A N TYR 22.A O no hydrogen 2.864 N/A HIS 27.A N GLN 23.A O no hydrogen 2.746 N/A ILE 28.A N PHE 24.A O no hydrogen 2.717 N/A LEU 29.A N THR 25.A O no hydrogen 3.139 N/A THR 30.A N SER 26.A O no hydrogen 3.123 N/A THR 30.A OG1 SER 26.A O no hydrogen 2.831 N/A LEU 31.A N HIS 27.A O no hydrogen 2.802 N/A GLY 32.A N ILE 28.A O no hydrogen 3.169 N/A ALA 34.A N THR 30.A O no hydrogen 2.950 N/A VAL 35.A N LEU 31.A O no hydrogen 2.863 N/A MET 36.A N GLY 32.A O no hydrogen 3.368 N/A LEU 37.A N TYR 33.A O no hydrogen 3.191 N/A ALA 38.A N ALA 34.A O no hydrogen 3.190 N/A GLY 39.A N VAL 35.A O no hydrogen 2.839 N/A LEU 40.A N MET 36.A O no hydrogen 3.049 N/A LEU 41.A N LEU 37.A O no hydrogen 3.313 N/A TYR 42.A N ALA 38.A O no hydrogen 3.180 N/A PHE 43.A N GLY 39.A O no hydrogen 3.025 N/A ILE 44.A N LEU 40.A O no hydrogen 3.083 N/A LEU 45.A N LEU 41.A O no hydrogen 2.992 N/A THR 46.A N PHE 43.A O no hydrogen 3.227 N/A THR 46.A OG1 TYR 42.A O no hydrogen 2.954 N/A THR 46.A OG1 PHE 43.A O no hydrogen 3.202 N/A ILE 47.A N ILE 44.A O no hydrogen 3.200 N/A ASN 49.A N THR 46.A O no hydrogen 3.270 N/A GLN 55.A N LYS 52.A O no hydrogen 3.435 N/A GLN 55.A NE2 ILE 47.A O no hydrogen 2.408 N/A GLN 55.A NE2 VAL 50.A O no hydrogen 3.573 N/A SER 57.A N PHE 54.A O no hydrogen 3.089 N/A ASN 58.A ND2 PHE 43.A O no hydrogen 3.574 N/A ILE 59.A N GLN 55.A O no hydrogen 2.982 N/A LEU 60.A N MET 56.A O no hydrogen 3.291 N/A SER 61.A N SER 57.A O no hydrogen 2.994 N/A ALA 62.A N ASN 58.A O no hydrogen 2.911 N/A VAL 63.A N ILE 59.A O no hydrogen 2.806 N/A VAL 64.A N LEU 60.A O no hydrogen 2.874 N/A MET 65.A N SER 61.A O no hydrogen 2.860 N/A VAL 66.A N ALA 62.A O no hydrogen 3.091 N/A SER 67.A N VAL 63.A O no hydrogen 3.105 N/A SER 67.A OG ASP 113.A OD1 no hydrogen 3.296 N/A ALA 68.A N VAL 64.A O no hydrogen 2.737 N/A PHE 69.A N MET 65.A O no hydrogen 2.851 N/A LEU 70.A N VAL 66.A O no hydrogen 3.138 N/A LEU 71.A N SER 67.A O no hydrogen 3.259 N/A LEU 72.A N ALA 68.A O no hydrogen 2.749 N/A TYR 73.A N PHE 69.A O no hydrogen 2.933 N/A ALA 74.A N LEU 70.A O no hydrogen 2.986 N/A GLN 75.A N LEU 71.A O no hydrogen 2.771 N/A ALA 76.A N LEU 72.A O no hydrogen 3.052 N/A GLN 77.A N TYR 73.A O no hydrogen 3.028 N/A ASN 78.A N ALA 74.A O no hydrogen 2.858 N/A ASN 78.A ND2 ASN 102.A O no hydrogen 3.458 N/A TRP 79.A N GLN 75.A O no hydrogen 3.092 N/A TRP 79.A NE1 TYR 22.A O no hydrogen 3.259 N/A THR 80.A N ALA 76.A O no hydrogen 3.177 N/A THR 80.A OG1 ALA 76.A O no hydrogen 3.292 N/A THR 80.A OG1 GLN 77.A O no hydrogen 3.143 N/A SER 81.A N GLN 77.A O no hydrogen 2.945 N/A SER 81.A OG GLN 77.A O no hydrogen 2.422 N/A SER 82.A N ASN 78.A O no hydrogen 3.128 N/A SER 82.A N TRP 79.A O no hydrogen 3.232 N/A SER 82.A OG ASN 78.A O no hydrogen 2.954 N/A SER 82.A OG ASN 78.A OD1 no hydrogen 3.183 N/A SER 82.A OG GLY 98.A O no hydrogen 3.210 N/A SER 82.A OG ASP 99.A O no hydrogen 2.332 N/A THR 84.A N PHE 93.A O no hydrogen 2.911 N/A THR 84.A OG1 ASP 95.A OD2 no hydrogen 3.002 N/A ASN 86.A N ARG 91.A O no hydrogen 2.682 N/A GLU 88.A N ASN 86.A OD1 no hydrogen 3.090 N/A VAL 89.A N ASN 86.A O no hydrogen 3.166 N/A GLY 90.A N ASN 86.A O no hydrogen 2.803 N/A ARG 91.A NE GLU 15.A O no hydrogen 2.862 N/A ARG 91.A NH2 GLY 16.A O no hydrogen 3.137 N/A TYR 92.A N PHE 17.A O no hydrogen 2.669 N/A TYR 92.A OH GLU 19.A OE1 no hydrogen 2.875 N/A PHE 93.A N THR 84.A O no hydrogen 2.789 N/A LEU 94.A N GLY 12.A O no hydrogen 3.104 N/A ASP 95.A N SER 82.A O no hydrogen 2.802 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.976 N/A GLY 98.A N ASP 95.A O no hydrogen 2.857 N/A ASP 99.A N PRO 96.A O no hydrogen 3.078 N/A PHE 101.A N ASN 9.A OD1 no hydrogen 2.976 N/A ASN 103.A N ASN 6.A OD1 no hydrogen 3.260 N/A ASN 103.A ND2 ASN 6.A OD1 no hydrogen 3.071 N/A ASN 103.A ND2 GLU 8.A OE2 no hydrogen 3.164 N/A GLY 104.A N ASN 102.A OD1 no hydrogen 2.768 N/A ARG 106.A NH1 ASP 247.A OD2 no hydrogen 3.073 N/A ARG 106.A NH2 GLN 240.A OE1 no hydrogen 3.511 N/A TYR 107.A N ASN 103.A O no hydrogen 3.078 N/A TYR 107.A OH TYR 243.A OH no hydrogen 2.817 N/A LEU 108.A N GLY 104.A O no hydrogen 2.904 N/A ASN 109.A N TYR 105.A O no hydrogen 3.140 N/A ASN 109.A ND2 ASP 113.A OD2 no hydrogen 2.883 N/A TRP 110.A N ARG 106.A O no hydrogen 3.107 N/A LEU 111.A N TYR 107.A O no hydrogen 3.207 N/A ILE 112.A N ASN 109.A O no hydrogen 2.820 N/A ASP 113.A N ASN 109.A O no hydrogen 3.027 N/A VAL 114.A N TRP 110.A O no hydrogen 2.792 N/A LEU 117.A N ASP 113.A O no hydrogen 2.697 N/A LEU 118.A N VAL 114.A O no hydrogen 3.038 N/A PHE 119.A N PRO 115.A O no hydrogen 3.227 N/A GLN 120.A N MET 116.A O no hydrogen 2.945 N/A GLN 120.A NE2 SER 61.A OG no hydrogen 2.811 N/A LEU 122.A N PHE 119.A O no hydrogen 3.042 N/A PHE 123.A N GLN 120.A O no hydrogen 3.323 N/A VAL 124.A N ILE 121.A O no hydrogen 3.125 N/A VAL 125.A N ILE 121.A O no hydrogen 3.216 N/A THR 128.A OG1 GLU 188.A OE1 no hydrogen 3.287 N/A THR 129.A N GLU 188.A OE1 no hydrogen 2.936 N/A THR 129.A OG1 GLU 188.A OE2 no hydrogen 3.416 N/A SER 130.A N GLU 188.A OE1 no hydrogen 2.944 N/A SER 130.A OG GLU 188.A OE2 no hydrogen 2.941 N/A VAL 135.A N LYS 131.A O no hydrogen 2.954 N/A ARG 136.A N PHE 132.A O no hydrogen 3.093 N/A ARG 136.A NE ASN 137.A OD1 no hydrogen 3.021 N/A ARG 136.A NH2 ASN 137.A OD1 no hydrogen 3.133 N/A ASN 137.A N SER 133.A O no hydrogen 3.093 N/A GLN 138.A N SER 134.A O no hydrogen 3.085 N/A PHE 139.A N VAL 135.A O no hydrogen 2.999 N/A TRP 140.A N ARG 136.A O no hydrogen 2.814 N/A TRP 140.A NE1 PRO 115.A O no hydrogen 3.072 N/A PHE 141.A N ASN 137.A O no hydrogen 2.623 N/A SER 142.A N GLN 138.A O no hydrogen 2.807 N/A SER 142.A OG GLN 138.A O no hydrogen 3.271 N/A SER 142.A OG HIS 177.A ND1 no hydrogen 2.836 N/A GLY 143.A N PHE 139.A O no hydrogen 2.777 N/A ALA 144.A N TRP 140.A O no hydrogen 2.906 N/A MET 145.A N PHE 141.A O no hydrogen 3.071 N/A MET 146.A N SER 142.A O no hydrogen 2.825 N/A ILE 147.A N GLY 143.A O no hydrogen 3.231 N/A ILE 147.A N ALA 144.A O no hydrogen 2.939 N/A ILE 148.A N ALA 144.A O no hydrogen 2.876 N/A THR 149.A N MET 145.A O no hydrogen 3.041 N/A THR 149.A OG1 MET 145.A O no hydrogen 2.773 N/A THR 149.A OG1 MET 146.A O no hydrogen 2.983 N/A GLY 150.A N MET 146.A O no hydrogen 3.261 N/A TYR 151.A N ILE 147.A O no hydrogen 2.594 N/A ILE 152.A N ILE 148.A O no hydrogen 3.104 N/A GLY 153.A N THR 149.A O no hydrogen 2.921 N/A GLN 154.A N GLY 150.A O no hydrogen 3.095 N/A GLN 154.A NE2 ASN 102.A OD1 no hydrogen 3.518 N/A GLN 154.A NE2 TYR 151.A O no hydrogen 3.428 N/A TYR 156.A N GLY 153.A O no hydrogen 2.785 N/A GLU 157.A N GLN 154.A O no hydrogen 3.324 N/A SER 159.A OG ASN 4.A OD1 no hydrogen 2.495 N/A ASN 160.A N TYR 156.A O no hydrogen 2.961 N/A ALA 163.A N ASN 160.A OD1 no hydrogen 3.124 N/A PHE 164.A N ASN 160.A O no hydrogen 2.905 N/A LEU 165.A N LEU 161.A O no hydrogen 2.685 N/A VAL 166.A N THR 162.A O no hydrogen 2.812 N/A TRP 167.A N ALA 163.A O no hydrogen 3.005 N/A GLY 168.A N PHE 164.A O no hydrogen 2.955 N/A ALA 169.A N LEU 165.A O no hydrogen 2.785 N/A ALA 169.A N VAL 166.A O no hydrogen 2.948 N/A ILE 170.A N VAL 166.A O no hydrogen 2.891 N/A SER 171.A N TRP 167.A O no hydrogen 2.808 N/A SER 171.A OG MET 146.A O no hydrogen 2.747 N/A SER 172.A N GLY 168.A O no hydrogen 3.013 N/A SER 172.A OG GLY 168.A O no hydrogen 2.416 N/A ALA 173.A N ALA 169.A O no hydrogen 2.884 N/A PHE 175.A N SER 171.A O no hydrogen 2.997 N/A PHE 176.A N SER 172.A O no hydrogen 3.088 N/A HIS 177.A N ALA 173.A O no hydrogen 3.357 N/A HIS 177.A ND1 SER 142.A OG no hydrogen 2.836 N/A ILE 178.A N PHE 174.A O no hydrogen 3.048 N/A ILE 178.A N PHE 175.A O no hydrogen 2.971 N/A LEU 179.A N PHE 175.A O no hydrogen 3.067 N/A TRP 180.A N PHE 176.A O no hydrogen 2.741 N/A VAL 181.A N HIS 177.A O no hydrogen 3.225 N/A MET 182.A N ILE 178.A O no hydrogen 2.723 N/A LYS 183.A N LEU 179.A O no hydrogen 2.921 N/A LYS 184.A N TRP 180.A O no hydrogen 3.071 N/A VAL 185.A N VAL 181.A O no hydrogen 2.925 N/A ILE 186.A N MET 182.A O no hydrogen 2.776 N/A ASN 187.A N LYS 183.A O no hydrogen 3.130 N/A GLU 188.A N LYS 184.A O no hydrogen 3.216 N/A GLY 189.A N VAL 185.A O no hydrogen 2.900 N/A LYS 190.A N ILE 186.A O no hydrogen 3.104 N/A LYS 190.A NZ SER 202.A OG no hydrogen 3.327 N/A GLU 191.A N ASN 187.A O no hydrogen 3.159 N/A GLN 198.A N SER 194.A O no hydrogen 3.015 N/A GLN 198.A NE2 ILE 193.A O no hydrogen 3.125 N/A LYS 199.A N PRO 195.A O no hydrogen 2.755 N/A ILE 200.A N ALA 196.A O no hydrogen 3.064 N/A LEU 201.A N GLY 197.A O no hydrogen 3.048 N/A SER 202.A N GLN 198.A O no hydrogen 3.007 N/A SER 202.A OG GLN 198.A O no hydrogen 2.949 N/A ASN 203.A N LYS 199.A O no hydrogen 3.097 N/A ILE 204.A N ILE 200.A O no hydrogen 2.874 N/A TRP 205.A N LEU 201.A O no hydrogen 2.970 N/A ILE 206.A N SER 202.A O no hydrogen 3.080 N/A LEU 207.A N ASN 203.A O no hydrogen 3.015 N/A PHE 208.A N ILE 204.A O no hydrogen 2.726 N/A LEU 209.A N TRP 205.A O no hydrogen 2.672 N/A ILE 210.A N ILE 206.A O no hydrogen 2.861 N/A SER 211.A N LEU 207.A O no hydrogen 2.977 N/A SER 211.A OG LEU 207.A O no hydrogen 2.876 N/A SER 211.A OG PHE 208.A O no hydrogen 3.410 N/A TRP 212.A N PHE 208.A O no hydrogen 3.201 N/A THR 213.A N LEU 209.A O no hydrogen 3.260 N/A THR 213.A N ILE 210.A O no hydrogen 2.970 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.755 N/A LEU 214.A N ILE 210.A O no hydrogen 3.189 N/A LEU 214.A N SER 211.A O no hydrogen 2.822 N/A TYR 215.A OH ASP 247.A OD1 no hydrogen 2.621 N/A TYR 215.A OH SER 250.A OG no hydrogen 2.808 N/A ALA 218.A N LEU 214.A O no hydrogen 2.965 N/A TYR 219.A N TYR 215.A O no hydrogen 2.943 N/A TYR 219.A OH PHE 164.A O no hydrogen 2.824 N/A LEU 220.A N PRO 216.A O no hydrogen 3.223 N/A MET 221.A N ALA 218.A O no hydrogen 3.043 N/A TYR 223.A N LEU 220.A O no hydrogen 2.667 N/A TYR 223.A OH GLU 157.A O no hydrogen 2.412 N/A LEU 224.A N MET 221.A O no hydrogen 3.489 N/A GLY 226.A N TYR 223.A O no hydrogen 2.923 N/A PHE 229.A N THR 225.A OG1 no hydrogen 3.065 N/A LEU 230.A N THR 225.A OG1 no hydrogen 2.699 N/A SER 232.A OG PHE 229.A O no hydrogen 2.937 N/A ASP 234.A N SER 232.A OG no hydrogen 3.391 N/A GLY 235.A N SER 232.A O no hydrogen 3.227 N/A VAL 236.A N SER 232.A O no hydrogen 3.429 N/A MET 237.A N GLU 233.A O no hydrogen 2.992 N/A ALA 238.A N ASP 234.A O no hydrogen 2.974 N/A ARG 239.A N GLY 235.A O no hydrogen 2.975 N/A ARG 239.A NE ALA 218.A O no hydrogen 3.065 N/A ARG 239.A NH1 GLU 8.A OE2 no hydrogen 3.114 N/A ARG 239.A NH1 GLU 157.A OE1 no hydrogen 3.222 N/A ARG 239.A NH1 GLU 157.A OE2 no hydrogen 2.847 N/A ARG 239.A NH2 GLU 157.A OE1 no hydrogen 2.882 N/A ARG 239.A NH2 GLU 157.A OE2 no hydrogen 3.464 N/A ARG 239.A NH2 TYR 219.A O no hydrogen 3.472 N/A GLN 240.A N VAL 236.A O no hydrogen 3.089 N/A GLN 240.A NE2 ASN 103.A OD1 no hydrogen 3.126 N/A LEU 241.A N MET 237.A O no hydrogen 2.991 N/A VAL 242.A N ALA 238.A O no hydrogen 2.887 N/A TYR 243.A N ARG 239.A O no hydrogen 2.924 N/A THR 244.A N GLN 240.A O no hydrogen 2.877 N/A THR 244.A OG1 ILE 28.A O no hydrogen 3.303 N/A THR 244.A OG1 GLN 240.A O no hydrogen 3.298 N/A ILE 245.A N LEU 241.A O no hydrogen 2.838 N/A ALA 246.A N VAL 242.A O no hydrogen 2.661 N/A ASP 247.A N TYR 243.A O no hydrogen 2.941 N/A VAL 248.A N THR 244.A O no hydrogen 3.015 N/A SER 249.A N ILE 245.A O no hydrogen 3.004 N/A SER 249.A OG ILE 245.A O no hydrogen 2.583 N/A SER 250.A N ALA 246.A O no hydrogen 2.758 N/A SER 250.A OG TYR 215.A OH no hydrogen 2.808 N/A SER 250.A OG ALA 246.A O no hydrogen 3.138 N/A ILE 252.A N VAL 248.A O no hydrogen 3.138 N/A TYR 253.A N SER 249.A O no hydrogen 2.927 N/A TYR 253.A OH LEU 117.A O no hydrogen 2.705 N/A VAL 255.A N VAL 251.A O no hydrogen 2.754 N/A LEU 256.A N ILE 252.A O no hydrogen 2.884 N/A LEU 257.A N TYR 253.A O no hydrogen 3.109 N/A GLY 258.A N GLY 254.A O no hydrogen 2.863 N/A ASN 259.A N VAL 255.A O no hydrogen 2.964 N/A LEU 260.A N LEU 256.A O no hydrogen 2.866 N/A ALA 261.A N LEU 257.A O no hydrogen 2.996 N/A ILE 262.A N GLY 258.A O no hydrogen 3.178 N/A THR 263.A N ASN 259.A O no hydrogen 2.779 N/A THR 263.A OG1 ASN 259.A O no hydrogen 2.995 N/A LEU 264.A N LEU 260.A O no hydrogen 3.247 N/A SER 265.A N ILE 262.A O no hydrogen 2.649 N/A SER 265.A OG ASP 51.A OD1 no hydrogen 2.943 N/A