Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 7.A OE1 no hydrogen 2.500 N/A PHE 4.A N SER 2.A OG no hydrogen 3.015 N/A VAL 5.A N VAL 62.A O no hydrogen 2.829 N/A GLU 7.A N PHE 4.A O no hydrogen 2.889 N/A LEU 8.A N VAL 5.A O no hydrogen 2.984 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.753 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.094 N/A TYR 13.A N THR 9.A O no hydrogen 3.068 N/A TYR 13.A OH HIS 107.A ND1 no hydrogen 2.831 N/A GLU 14.A N TRP 10.A O no hydrogen 2.914 N/A ALA 15.A N LYS 11.A O no hydrogen 3.000 N/A ARG 16.A N GLU 12.A O no hydrogen 3.055 N/A VAL 17.A N TYR 13.A O no hydrogen 3.013 N/A ALA 18.A N GLU 14.A O no hydrogen 2.791 N/A ALA 19.A N ARG 16.A O no hydrogen 3.150 N/A GLY 20.A N VAL 17.A O no hydrogen 3.016 N/A CYS 22.A SG VAL 23.A O no hydrogen 3.957 N/A LEU 24.A N ARG 111.A O no hydrogen 3.021 N/A MET 25.A N LEU 61.A O no hydrogen 2.892 N/A LEU 26.A N VAL 113.A O no hydrogen 2.748 N/A VAL 28.A N MET 115.A O no hydrogen 2.976 N/A GLY 29.A N LEU 66.A O no hydrogen 2.920 N/A GLU 32.A N MET 40.A O no hydrogen 2.939 N/A GLN 33.A N THR 85.A OG1 no hydrogen 3.031 N/A GLN 33.A NE2 GLY 77.A O no hydrogen 2.932 N/A GLN 33.A NE2 GLY 223.A O no hydrogen 2.906 N/A HIS 34.A ND1 GLU 32.A O no hydrogen 2.746 N/A GLY 35.A N GLN 33.A OE1 no hydrogen 3.013 N/A HIS 37.A NE2 THR 182.A OG1 no hydrogen 2.999 N/A CYS 39.A SG ASN 41.A OD1 no hydrogen 3.168 N/A CYS 39.A SG LEU 192.A O no hydrogen 4.048 N/A VAL 44.A N ASN 41.A O no hydrogen 2.829 N/A LEU 45.A N ASN 41.A O no hydrogen 2.945 N/A LEU 46.A N VAL 42.A O no hydrogen 2.956 N/A THR 48.A N VAL 44.A O no hydrogen 3.210 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.644 N/A ALA 49.A N LEU 45.A O no hydrogen 2.955 N/A VAL 50.A N LEU 46.A O no hydrogen 3.030 N/A CYS 51.A N PRO 47.A O no hydrogen 2.781 N/A CYS 51.A SG PRO 47.A O no hydrogen 3.394 N/A LYS 52.A N THR 48.A O no hydrogen 2.837 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 2.686 N/A ARG 53.A N ALA 49.A O no hydrogen 3.149 N/A ARG 53.A NH1 ALA 49.A O no hydrogen 3.153 N/A VAL 54.A N VAL 50.A O no hydrogen 2.810 N/A ALA 55.A N CYS 51.A O no hydrogen 2.655 N/A GLU 56.A N LYS 52.A O no hydrogen 2.948 N/A ARG 57.A N ARG 53.A O no hydrogen 3.044 N/A ARG 57.A NH1 GLU 241.A OE1 no hydrogen 3.127 N/A ARG 57.A NH1 GLU 241.A OE2 no hydrogen 3.433 N/A ARG 57.A NH2 GLU 241.A OE2 no hydrogen 3.149 N/A ILE 58.A N VAL 54.A O no hydrogen 2.989 N/A ALA 60.A N ALA 55.A O no hydrogen 2.857 N/A LEU 61.A N VAL 23.A O no hydrogen 2.996 N/A VAL 62.A N VAL 3.A O no hydrogen 2.577 N/A MET 63.A N MET 25.A O no hydrogen 2.828 N/A LEU 66.A N PRO 27.A O no hydrogen 2.883 N/A GLN 67.A NE2 GLY 65.A O no hydrogen 2.916 N/A TYR 70.A N ASN 121.A OD1 no hydrogen 2.727 N/A LYS 71.A NZ ASP 89.A OD1 no hydrogen 2.926 N/A SER 72.A N ASN 80.A OD1 no hydrogen 3.034 N/A SER 72.A OG GLU 32.A OE2 no hydrogen 2.671 N/A GLN 73.A N GLU 120.A OE2 no hydrogen 2.786 N/A GLN 73.A NE2 LYS 71.A O no hydrogen 3.064 N/A GLN 74.A NE2 ASP 215.A O no hydrogen 2.943 N/A GLN 74.A NE2 THR 219.A OG1 no hydrogen 2.815 N/A LYS 75.A NZ PRO 207.A O no hydrogen 2.944 N/A LYS 75.A NZ TYR 209.A O no hydrogen 3.171 N/A SER 76.A N GLN 73.A O no hydrogen 2.974 N/A SER 76.A OG GLN 73.A O no hydrogen 3.296 N/A SER 76.A OG GLU 120.A OE2 no hydrogen 2.611 N/A GLY 77.A N GLN 73.A O no hydrogen 2.590 N/A GLY 78.A N GLN 74.A O no hydrogen 3.087 N/A GLY 79.A N SER 72.A OG no hydrogen 3.349 N/A THR 86.A N LEU 31.A O no hydrogen 2.905 N/A THR 86.A OG1 GLY 84.A O no hydrogen 2.870 N/A SER 87.A OG ASN 80.A OD1 no hydrogen 2.639 N/A LEU 88.A N GLY 69.A O no hydrogen 2.900 N/A THR 92.A N ASP 89.A O no hydrogen 3.154 N/A LEU 93.A N ASP 89.A O no hydrogen 3.312 N/A THR 94.A N GLY 90.A O no hydrogen 2.887 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.180 N/A THR 94.A OG1 PHE 124.A O no hydrogen 3.042 N/A GLY 95.A N ALA 91.A O no hydrogen 2.904 N/A THR 96.A N THR 92.A O no hydrogen 3.054 N/A THR 96.A OG1 THR 92.A O no hydrogen 2.791 N/A VAL 97.A N LEU 93.A O no hydrogen 3.126 N/A GLN 98.A N THR 94.A O no hydrogen 2.935 N/A GLN 98.A NE2 GLU 135.A OE2 no hydrogen 2.446 N/A ASP 99.A N GLY 95.A O no hydrogen 2.870 N/A ILE 100.A N THR 96.A O no hydrogen 3.091 N/A ILE 101.A N VAL 97.A O no hydrogen 3.112 N/A ARG 102.A N GLN 98.A O no hydrogen 3.055 N/A ARG 102.A NE GLU 135.A OE1 no hydrogen 2.903 N/A ARG 102.A NH1 GLU 135.A OE1 no hydrogen 3.254 N/A ARG 102.A NH1 GLU 135.A OE2 no hydrogen 2.624 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 2.829 N/A GLU 103.A N ASP 99.A O no hydrogen 3.044 N/A LEU 104.A N ILE 100.A O no hydrogen 2.885 N/A ALA 105.A N ILE 101.A O no hydrogen 3.005 N/A ARG 106.A N ARG 102.A O no hydrogen 3.077 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 2.938 N/A ARG 106.A NH2 GLU 103.A OE1 no hydrogen 3.081 N/A HIS 107.A N GLU 103.A O no hydrogen 3.035 N/A HIS 107.A ND1 TYR 13.A OH no hydrogen 2.831 N/A GLY 108.A N LEU 104.A O no hydrogen 3.221 N/A GLY 108.A N ALA 105.A O no hydrogen 3.004 N/A ALA 109.A N LEU 104.A O no hydrogen 3.092 N/A ARG 110.A NE ASP 143.A OD1 no hydrogen 2.847 N/A ARG 110.A NH1 ALA 105.A O no hydrogen 3.021 N/A ARG 110.A NH1 ALA 109.A O no hydrogen 2.904 N/A ARG 111.A NH1 ASP 21.A O no hydrogen 3.385 N/A ARG 111.A NH1 PRO 256.A O no hydrogen 2.962 N/A ARG 111.A NH2 PRO 256.A O no hydrogen 2.690 N/A LEU 112.A N LYS 145.A O no hydrogen 3.066 N/A VAL 113.A N LEU 24.A O no hydrogen 2.773 N/A LEU 114.A N VAL 147.A O no hydrogen 2.791 N/A MET 115.A N LEU 26.A O no hydrogen 2.935 N/A ASN 116.A N LEU 149.A O no hydrogen 2.822 N/A ASN 116.A ND2 HIS 118.A O no hydrogen 2.788 N/A GLY 117.A N VAL 28.A O no hydrogen 2.952 N/A HIS 118.A N ASN 116.A OD1 no hydrogen 3.272 N/A HIS 118.A ND1 ASP 43.A OD2 no hydrogen 2.954 N/A HIS 118.A NE2 TYR 70.A O no hydrogen 2.813 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.553 N/A ASN 121.A N HIS 118.A O no hydrogen 2.945 N/A ASN 121.A ND2 VAL 28.A O no hydrogen 3.515 N/A ASN 121.A ND2 GLY 29.A O no hydrogen 2.919 N/A ASN 121.A ND2 ASN 116.A OD1 no hydrogen 3.098 N/A SER 122.A N TYR 119.A O no hydrogen 3.397 N/A SER 122.A OG TYR 119.A O no hydrogen 3.298 N/A PHE 124.A N ASN 121.A O no hydrogen 2.995 N/A ILE 125.A N ASN 121.A O no hydrogen 3.040 N/A VAL 126.A N SER 122.A O no hydrogen 3.000 N/A GLU 127.A N MET 123.A O no hydrogen 3.060 N/A GLY 128.A N PHE 124.A O no hydrogen 3.049 N/A ILE 129.A N ILE 125.A O no hydrogen 2.960 N/A ASP 130.A N VAL 126.A O no hydrogen 3.001 N/A LEU 131.A N GLU 127.A O no hydrogen 2.949 N/A ALA 132.A N GLY 128.A O no hydrogen 3.013 N/A LEU 133.A N ILE 129.A O no hydrogen 2.864 N/A ARG 134.A N ASP 130.A O no hydrogen 2.907 N/A GLU 135.A N LEU 131.A O no hydrogen 3.135 N/A LEU 136.A N ALA 132.A O no hydrogen 2.959 N/A ARG 137.A N LEU 133.A O no hydrogen 2.952 N/A TYR 138.A N ARG 134.A O no hydrogen 3.081 N/A ALA 139.A N GLU 135.A O no hydrogen 2.942 N/A GLY 140.A N ARG 137.A O no hydrogen 2.967 N/A ILE 141.A N LEU 136.A O no hydrogen 2.766 N/A LYS 145.A N ARG 110.A O no hydrogen 2.820 N/A LYS 145.A NZ GLU 254.A O no hydrogen 2.881 N/A LYS 145.A NZ GLU 254.A OE1 no hydrogen 2.738 N/A VAL 147.A N LEU 112.A O no hydrogen 2.781 N/A LEU 149.A N LEU 114.A O no hydrogen 3.024 N/A ASP 153.A N SER 150.A O no hydrogen 3.015 N/A PHE 154.A N TYR 151.A O no hydrogen 3.228 N/A VAL 155.A N TRP 152.A O no hydrogen 3.057 N/A VAL 160.A N ASP 157.A OD2 no hydrogen 3.113 N/A ILE 161.A N ASP 157.A O no hydrogen 2.883 N/A GLN 162.A N PRO 158.A O no hydrogen 2.854 N/A GLN 163.A N ALA 159.A O no hydrogen 3.336 N/A LEU 164.A N VAL 160.A O no hydrogen 3.121 N/A TYR 165.A N ILE 161.A O no hydrogen 2.719 N/A TYR 165.A OH GLU 175.A OE2 no hydrogen 2.727 N/A GLY 168.A N TYR 165.A O no hydrogen 3.073 N/A GLU 175.A N PHE 172.A O no hydrogen 2.878 N/A HIS 176.A N ILE 174.A O no hydrogen 3.138 N/A HIS 176.A NE2 GLN 33.A O no hydrogen 2.838 N/A GLY 177.A N GLU 181.A OE2 no hydrogen 2.832 N/A PHE 180.A N GLU 175.A OE1 no hydrogen 2.942 N/A THR 182.A N GLY 178.A O no hydrogen 3.039 N/A THR 182.A OG1 HIS 37.A NE2 no hydrogen 2.999 N/A THR 182.A OG1 GLY 177.A O no hydrogen 3.313 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.666 N/A SER 183.A N VAL 179.A O no hydrogen 2.915 N/A SER 183.A OG VAL 179.A O no hydrogen 2.831 N/A SER 183.A OG SER 232.A O no hydrogen 3.417 N/A LEU 184.A N PHE 180.A O no hydrogen 3.269 N/A MET 185.A N GLU 181.A O no hydrogen 2.950 N/A LEU 186.A N THR 182.A O no hydrogen 2.844 N/A ALA 187.A N SER 183.A O no hydrogen 3.163 N/A ALA 187.A N LEU 184.A O no hydrogen 3.184 N/A LEU 188.A N LEU 184.A O no hydrogen 2.910 N/A TYR 189.A N MET 185.A O no hydrogen 2.660 N/A LEU 192.A N TYR 189.A O no hydrogen 2.829 N/A VAL 193.A N PRO 190.A O no hydrogen 3.259 N/A ASP 194.A N HIS 37.A O no hydrogen 2.821 N/A ARG 197.A N ASP 194.A O no hydrogen 2.820 N/A ARG 197.A NE ASP 194.A OD2 no hydrogen 3.021 N/A VAL 198.A N LEU 195.A O no hydrogen 3.005 N/A HIS 201.A N VAL 199.A O no hydrogen 2.939 N/A HIS 201.A ND1 PRO 202.A O no hydrogen 2.778 N/A HIS 201.A NE2 THR 224.A OG1 no hydrogen 2.620 N/A ALA 204.A N LEU 225.A O no hydrogen 2.825 N/A TYR 209.A N PRO 207.A O no hydrogen 2.760 N/A ALA 217.A N ASP 215.A OD1 no hydrogen 2.951 N/A ARG 218.A N ASP 215.A O no hydrogen 2.872 N/A ARG 218.A NE ASP 215.A OD2 no hydrogen 3.049 N/A THR 219.A N PRO 216.A O no hydrogen 3.255 N/A THR 219.A OG1 GLY 78.A O no hydrogen 2.664 N/A GLY 223.A N PRO 220.A O no hydrogen 2.895 N/A THR 224.A OG1 HIS 201.A NE2 no hydrogen 2.620 N/A LEU 225.A N HIS 176.A O no hydrogen 3.280 N/A SER 226.A OG ILE 174.A O no hydrogen 2.733 N/A SER 227.A OG ASP 200.A OD1 no hydrogen 2.584 N/A LYS 229.A N SER 227.A OG no hydrogen 3.034 N/A ALA 231.A N ALA 228.A O no hydrogen 2.917 N/A SER 232.A N SER 183.A OG no hydrogen 3.042 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.644 N/A LYS 235.A N SER 232.A OG no hydrogen 3.105 N/A LYS 235.A NZ LEU 164.A O no hydrogen 2.982 N/A LYS 235.A NZ THR 230.A O no hydrogen 2.895 N/A GLY 236.A N SER 232.A O no hydrogen 2.985 N/A GLU 237.A N ARG 233.A O no hydrogen 2.876 N/A LEU 238.A N GLU 234.A O no hydrogen 3.163 N/A ILE 239.A N LYS 235.A O no hydrogen 3.020 N/A LEU 240.A N GLY 236.A O no hydrogen 2.893 N/A GLU 241.A N GLU 237.A O no hydrogen 3.062 N/A VAL 242.A N LEU 238.A O no hydrogen 3.079 N/A CYS 243.A N ILE 239.A O no hydrogen 2.858 N/A CYS 243.A SG TYR 151.A O no hydrogen 3.302 N/A CYS 243.A SG ILE 239.A O no hydrogen 3.376 N/A VAL 244.A N LEU 240.A O no hydrogen 2.782 N/A GLN 245.A N GLU 241.A O no hydrogen 2.912 N/A GLN 245.A NE2 ASP 249.A OD2 no hydrogen 3.092 N/A GLY 246.A N VAL 242.A O no hydrogen 2.899 N/A ILE 247.A N CYS 243.A O no hydrogen 2.874 N/A ALA 248.A N VAL 244.A O no hydrogen 3.012 N/A ASP 249.A N GLN 245.A O no hydrogen 3.071 N/A ALA 250.A N GLY 246.A O no hydrogen 3.044 N/A ILE 251.A N ILE 247.A O no hydrogen 2.899 N/A ARG 252.A N ALA 248.A O no hydrogen 2.948 N/A GLU 253.A N ASP 249.A O no hydrogen 2.946 N/A GLU 254.A N ALA 250.A O no hydrogen 2.884 N/A PHE 255.A N ILE 251.A O no hydrogen 2.674 N/A