Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x6e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N CYS 91.A O no hydrogen 3.213 N/A HIS 5.A N TRP 20.A O no hydrogen 2.995 N/A HIS 5.A ND1 THR 88.A OG1 no hydrogen 2.858 N/A VAL 6.A N GLY 89.A O no hydrogen 2.724 N/A ILE 7.A N SER 18.A O no hydrogen 2.880 N/A TRP 8.A N VAL 87.A O no hydrogen 2.834 N/A TRP 8.A NE1 ASN 15.A OD1 no hydrogen 2.887 N/A ILE 9.A N LEU 16.A O no hydrogen 2.822 N/A ALA 10.A N ILE 85.A O no hydrogen 2.932 N/A SER 11.A N GLN 14.A O no hydrogen 2.892 N/A SER 11.A OG GLN 14.A OE1 no hydrogen 3.324 N/A SER 11.A OG GLU 84.A OE2 no hydrogen 3.028 N/A PHE 12.A N PHE 83.A O no hydrogen 2.914 N/A GLN 14.A N SER 11.A O no hydrogen 3.346 N/A LEU 16.A N ILE 9.A O no hydrogen 2.814 N/A SER 18.A N ILE 7.A O no hydrogen 3.113 N/A GLY 19.A N HIS 27.A O no hydrogen 2.923 N/A TRP 20.A N HIS 5.A O no hydrogen 2.834 N/A TRP 20.A NE1 SER 18.A OG no hydrogen 3.209 N/A LEU 21.A N LEU 24.A O no hydrogen 2.602 N/A LEU 24.A N LEU 21.A O no hydrogen 2.674 N/A GLN 25.A NE2 HIS 27.A O no hydrogen 3.186 N/A THR 26.A N GLY 19.A O no hydrogen 2.860 N/A THR 26.A OG1 HIS 27.A ND1 no hydrogen 2.836 N/A HIS 27.A N GLY 19.A O no hydrogen 3.341 N/A HIS 27.A ND1 THR 26.A OG1 no hydrogen 2.836 N/A HIS 27.A NE2 SER 43.A O no hydrogen 2.837 N/A THR 28.A N VAL 37.A O no hydrogen 2.985 N/A TRP 29.A N VAL 17.A O no hydrogen 2.987 N/A TRP 29.A NE1 SER 31.A OG no hydrogen 2.840 N/A ASP 30.A N THR 35.A O no hydrogen 2.940 N/A SER 33.A OG ASP 30.A OD2 no hydrogen 2.720 N/A THR 35.A N ASP 30.A O no hydrogen 2.967 N/A VAL 37.A N THR 28.A O no hydrogen 2.656 N/A LEU 39.A N THR 26.A O no hydrogen 3.057 N/A TRP 40.A N SER 43.A OG no hydrogen 3.022 N/A TRP 40.A NE1 GLN 25.A O no hydrogen 3.066 N/A SER 43.A N TRP 40.A O no hydrogen 2.905 N/A SER 43.A OG THR 26.A O no hydrogen 2.782 N/A SER 43.A OG TRP 40.A O no hydrogen 3.237 N/A GLY 45.A N TRP 42.A O no hydrogen 3.039 N/A PHE 47.A N ARG 44.A O no hydrogen 3.299 N/A GLU 51.A N SER 48.A OG no hydrogen 3.397 N/A TRP 52.A N SER 48.A O no hydrogen 3.056 N/A TRP 52.A NE1 ARG 44.A O no hydrogen 2.733 N/A LYS 53.A N ASN 49.A O no hydrogen 3.257 N/A GLU 54.A N GLU 50.A O no hydrogen 3.177 N/A LEU 55.A N GLU 51.A O no hydrogen 3.141 N/A GLU 56.A N TRP 52.A O no hydrogen 3.046 N/A THR 57.A N LYS 53.A O no hydrogen 3.309 N/A THR 57.A OG1 GLU 54.A O no hydrogen 2.657 N/A LEU 58.A N GLU 54.A O no hydrogen 3.177 N/A PHE 59.A N LEU 55.A O no hydrogen 2.784 N/A ARG 60.A N GLU 56.A O no hydrogen 2.643 N/A ILE 61.A N THR 57.A O no hydrogen 3.081 N/A ARG 62.A N LEU 58.A O no hydrogen 2.951 N/A ARG 62.A NE GLU 136.A OE2 no hydrogen 3.091 N/A ARG 62.A NH1 THR 140.A OG1 no hydrogen 2.933 N/A ARG 62.A NH2 GLU 136.A O no hydrogen 2.914 N/A ARG 62.A NH2 GLU 136.A OE2 no hydrogen 2.908 N/A THR 63.A N PHE 59.A O no hydrogen 3.086 N/A THR 63.A OG1 PHE 59.A O no hydrogen 2.488 N/A THR 63.A OG1 ARG 60.A O no hydrogen 2.956 N/A ILE 64.A N ARG 60.A O no hydrogen 3.292 N/A ARG 65.A N ILE 61.A O no hydrogen 3.021 N/A SER 66.A N ARG 62.A O no hydrogen 2.940 N/A SER 66.A OG ARG 62.A O no hydrogen 2.795 N/A PHE 67.A N THR 63.A O no hydrogen 2.854 N/A GLU 68.A N ILE 64.A O no hydrogen 3.043 N/A GLY 69.A N ARG 65.A O no hydrogen 2.604 N/A ILE 70.A N SER 66.A O no hydrogen 2.748 N/A ARG 71.A N PHE 67.A O no hydrogen 2.991 N/A ARG 72.A N GLU 68.A O no hydrogen 2.956 N/A ARG 72.A N GLY 69.A O no hydrogen 3.199 N/A TYR 73.A N GLY 69.A O no hydrogen 3.094 N/A GLU 76.A N GLU 76.A OE2 no hydrogen 2.328 N/A LEU 77.A N TYR 73.A O no hydrogen 3.315 N/A GLN 78.A N HIS 75.A O no hydrogen 3.248 N/A PHE 79.A N ALA 74.A O no hydrogen 2.922 N/A PHE 83.A N PHE 12.A O no hydrogen 3.170 N/A GLU 84.A N GLN 101.A OE1 no hydrogen 2.926 N/A ILE 85.A N ALA 10.A O no hydrogen 2.786 N/A GLN 86.A N ALA 99.A O no hydrogen 3.003 N/A VAL 87.A N TRP 8.A O no hydrogen 2.999 N/A THR 88.A N GLN 97.A O no hydrogen 2.904 N/A THR 88.A OG1 HIS 5.A ND1 no hydrogen 2.858 N/A GLY 89.A N VAL 6.A O no hydrogen 2.930 N/A GLY 90.A N PHE 95.A O no hydrogen 2.946 N/A CYS 91.A N PHE 4.A O no hydrogen 2.985 N/A GLU 92.A N GLY 93.A O no hydrogen 2.817 N/A PHE 95.A N GLY 90.A O no hydrogen 2.953 N/A GLN 97.A N THR 88.A O no hydrogen 2.909 N/A LEU 98.A N VAL 106.A O no hydrogen 2.838 N/A ALA 99.A N GLN 86.A O no hydrogen 2.591 N/A TYR 100.A N SER 103.A O no hydrogen 3.031 N/A GLN 101.A N GLU 84.A O no hydrogen 3.004 N/A GLN 101.A NE2 PRO 82.A O no hydrogen 3.121 N/A SER 103.A N TYR 100.A O no hydrogen 3.057 N/A PHE 105.A N LEU 98.A O no hydrogen 3.037 N/A VAL 106.A N LEU 98.A O no hydrogen 3.199 N/A SER 107.A N LEU 114.A O no hydrogen 2.959 N/A PHE 108.A N LEU 96.A O no hydrogen 2.917 N/A GLN 109.A N SER 112.A O no hydrogen 2.996 N/A GLN 109.A NE2 SER 107.A OG no hydrogen 3.110 N/A SER 112.A N GLN 109.A O no hydrogen 3.353 N/A SER 112.A OG ASN 111.A OD1 no hydrogen 3.203 N/A TRP 113.A N ASN 131.A OD1 no hydrogen 2.879 N/A LEU 114.A N SER 107.A O no hydrogen 2.723 N/A TYR 116.A N PHE 105.A O no hydrogen 3.103 N/A ALA 123.A N GLY 120.A O no hydrogen 3.221 N/A HIS 125.A N ASN 121.A O no hydrogen 2.919 N/A PHE 126.A N MET 122.A O no hydrogen 3.161 N/A CYS 127.A N ALA 123.A O no hydrogen 3.037 N/A CYS 127.A SG TRP 113.A O no hydrogen 3.302 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.520 N/A LYS 128.A N LYS 124.A O no hydrogen 3.202 N/A VAL 129.A N HIS 125.A O no hydrogen 3.435 N/A LEU 130.A N PHE 126.A O no hydrogen 2.866 N/A ASN 131.A N LYS 128.A O no hydrogen 3.326 N/A ASN 131.A ND2 TRP 113.A O no hydrogen 2.939 N/A GLN 134.A NE2 ASN 111.A O no hydrogen 3.016 N/A GLN 134.A NE2 ASP 138.A OD1 no hydrogen 3.409 N/A GLU 136.A N ASN 133.A OD1 no hydrogen 3.174 N/A ASN 137.A N ASN 133.A O no hydrogen 3.313 N/A ASN 137.A ND2 ASN 131.A OD1 no hydrogen 2.902 N/A ASP 138.A N GLN 134.A O no hydrogen 2.889 N/A ILE 139.A N HIS 135.A O no hydrogen 2.888 N/A THR 140.A N GLU 136.A O no hydrogen 3.131 N/A THR 140.A OG1 GLU 136.A O no hydrogen 3.107 N/A HIS 141.A N ASN 137.A O no hydrogen 2.974 N/A HIS 141.A ND1 ASN 110.A O no hydrogen 2.786 N/A ASN 142.A N ASP 138.A O no hydrogen 3.224 N/A LEU 143.A N ILE 139.A O no hydrogen 2.963 N/A LEU 144.A N THR 140.A O no hydrogen 3.202 N/A SER 145.A N HIS 141.A O no hydrogen 2.810 N/A SER 145.A OG HIS 141.A O no hydrogen 3.225 N/A ASP 146.A N ASN 142.A O no hydrogen 2.811 N/A THR 147.A N ASN 142.A O no hydrogen 3.088 N/A CYS 148.A N LEU 143.A O no hydrogen 2.857 N/A ARG 150.A N ASP 146.A O no hydrogen 3.229 N/A PHE 151.A N THR 147.A O no hydrogen 2.843 N/A ILE 152.A N CYS 148.A O no hydrogen 2.937 N/A LEU 153.A N PRO 149.A O no hydrogen 3.343 N/A GLY 154.A N ARG 150.A O no hydrogen 3.406 N/A LEU 155.A N PHE 151.A O no hydrogen 2.946 N/A LEU 156.A N ILE 152.A O no hydrogen 3.019 N/A ASP 157.A N LEU 153.A O no hydrogen 3.148 N/A ALA 158.A N GLY 154.A O no hydrogen 2.841 N/A GLY 159.A N LEU 155.A O no hydrogen 2.814 N/A LYS 160.A N ASP 157.A O no hydrogen 3.114 N/A LEU 163.A N GLY 159.A O no hydrogen 2.820 N/A GLN 164.A N LYS 160.A O no hydrogen 2.968 N/A ARG 165.A N HIS 162.A O no hydrogen 3.479 N/A ARG 165.A NH1 HIS 162.A O no hydrogen 2.961 N/A VAL 167.A N TYR 194.A O no hydrogen 2.745 N/A GLU 170.A N SER 191.A O no hydrogen 2.826 N/A TRP 172.A N HIS 189.A O no hydrogen 2.983 N/A SER 174.A N VAL 187.A O no hydrogen 2.913 N/A SER 174.A OG HIS 189.A NE2 no hydrogen 2.778 N/A GLY 176.A N GLN 185.A O no hydrogen 2.610 N/A SER 178.A N GLN 185.A OE1 no hydrogen 3.268 N/A SER 178.A OG GLN 185.A OE1 no hydrogen 3.267 N/A GLY 180.A N GLU 232.A OE2 no hydrogen 2.768 N/A HIS 183.A N GLY 180.A O no hydrogen 3.003 N/A HIS 183.A ND1 PRO 181.A O no hydrogen 2.787 N/A LEU 184.A N VAL 233.A O no hydrogen 2.797 N/A LEU 186.A N LEU 231.A O no hydrogen 2.797 N/A VAL 187.A N SER 174.A O no hydrogen 2.884 N/A CYS 188.A N ALA 229.A O no hydrogen 2.873 N/A HIS 189.A N TRP 172.A O no hydrogen 2.722 N/A HIS 189.A ND1 TYR 226.A OH no hydrogen 2.795 N/A HIS 189.A NE2 SER 174.A OG no hydrogen 2.778 N/A VAL 190.A N LEU 227.A O no hydrogen 2.792 N/A SER 191.A N GLU 170.A O no hydrogen 2.830 N/A GLY 192.A N TRP 225.A O no hydrogen 3.052 N/A TYR 194.A N VAL 167.A O no hydrogen 3.163 N/A TYR 194.A OH LEU 163.A O no hydrogen 3.350 N/A LYS 196.A NZ ASP 23.A OD2 no hydrogen 3.120 N/A TRP 199.A N LYS 246.A O no hydrogen 3.070 N/A MET 201.A N ARG 244.A O no hydrogen 3.039 N/A TRP 202.A N THR 212.A OG1 no hydrogen 3.102 N/A TRP 202.A NE1 ALA 229.A O no hydrogen 3.052 N/A MET 203.A N SER 242.A O no hydrogen 2.684 N/A ARG 204.A N GLN 207.A O no hydrogen 2.922 N/A ARG 204.A NH1 GLU 237.A O no hydrogen 3.001 N/A ARG 204.A NH1 ALA 239.A O no hydrogen 3.033 N/A ARG 204.A NH2 GLU 237.A O no hydrogen 3.402 N/A GLN 207.A N ARG 204.A O no hydrogen 3.033 N/A GLN 209.A N TRP 202.A O no hydrogen 2.911 N/A GLN 209.A NE2 GLN 207.A O no hydrogen 2.974 N/A GLN 209.A NE2 GLN 207.A OE1 no hydrogen 2.962 N/A THR 212.A N GLN 209.A O no hydrogen 3.012 N/A THR 212.A OG1 GLN 209.A O no hydrogen 2.814 N/A GLN 213.A N THR 230.A O no hydrogen 2.752 N/A ARG 214.A NH2 VAL 198.A O no hydrogen 2.698 N/A GLY 215.A N ARG 228.A O no hydrogen 2.781 N/A LEU 218.A N TYR 226.A O no hydrogen 2.665 N/A SER 220.A N THR 224.A O no hydrogen 2.979 N/A GLY 223.A N SER 220.A O no hydrogen 3.006 N/A THR 224.A N ASP 222.A OD1 no hydrogen 3.051 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.661 N/A TRP 225.A N PHE 193.A O no hydrogen 2.984 N/A TYR 226.A N LEU 218.A O no hydrogen 2.742 N/A TYR 226.A OH HIS 189.A ND1 no hydrogen 2.795 N/A LEU 227.A N VAL 190.A O no hydrogen 2.879 N/A ALA 229.A N CYS 188.A O no hydrogen 2.932 N/A THR 230.A N GLN 213.A O no hydrogen 2.870 N/A LEU 231.A N LEU 186.A O no hydrogen 2.866 N/A VAL 233.A N LEU 184.A O no hydrogen 3.005 N/A ALA 235.A N GLY 182.A O no hydrogen 3.076 N/A SER 242.A N MET 203.A O no hydrogen 2.991 N/A CYS 243.A N LEU 257.A O no hydrogen 2.759 N/A ARG 244.A N MET 201.A O no hydrogen 2.843 N/A ARG 244.A NH1 ASP 254.A OD1 no hydrogen 3.013 N/A VAL 245.A N ILE 255.A O no hydrogen 2.804 N/A LYS 246.A N TRP 199.A O no hydrogen 2.814 N/A LYS 246.A NZ ASP 254.A OD1 no hydrogen 2.780 N/A HIS 247.A ND1 SER 249.A OG no hydrogen 2.778 N/A HIS 247.A NE2 PRO 195.A O no hydrogen 2.871 N/A SER 248.A OG GLN 166.A OE1 no hydrogen 2.647 N/A SER 249.A N HIS 247.A ND1 no hydrogen 3.074 N/A SER 249.A OG HIS 247.A ND1 no hydrogen 2.778 N/A LEU 250.A N HIS 247.A O no hydrogen 2.856 N/A GLN 253.A N LEU 250.A O no hydrogen 3.177 N/A ILE 255.A N VAL 245.A O no hydrogen 3.052 N/A LEU 257.A N CYS 243.A O no hydrogen 2.879 N/A TRP 259.A N LEU 241.A O no hydrogen 3.001 N/A GLY 261.A N GLU 260.A OE1 no hydrogen 2.828 N/A LEU 263.A N GLU 260.A O no hydrogen 3.360 N/A VAL 264.A N GLY 261.A O no hydrogen 3.287 N/A ARG 266.A N GLY 261.A O no hydrogen 2.779 N/A