Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N THR 29.A O no hydrogen 2.723 N/A TYR 3.A OH GLU 1.A OE2 no hydrogen 2.535 N/A THR 5.A N ARG 33.A O no hydrogen 2.928 N/A THR 5.A OG1 TYR 32.A OH no hydrogen 2.875 N/A THR 5.A OG1 ARG 33.A O no hydrogen 3.357 N/A GLN 7.A N GLN 37.A O no hydrogen 3.233 N/A SER 8.A N ALA 35.A O no hydrogen 2.887 N/A SER 8.A OG ALA 35.A O no hydrogen 3.536 N/A TYR 11.A OH ASP 86.A OD1 no hydrogen 2.696 N/A LYS 13.A N ASP 10.A O no hydrogen 2.947 N/A ARG 14.A NH2 TYR 284.A O no hydrogen 3.319 N/A CYS 15.A SG TYR 11.A O no hydrogen 3.973 N/A LEU 16.A N TRP 12.A O no hydrogen 2.830 N/A LYS 17.A N LYS 13.A O no hydrogen 3.004 N/A GLY 18.A N ARG 14.A O no hydrogen 3.161 N/A PHE 19.A N CYS 15.A O no hydrogen 3.191 N/A GLU 20.A N LEU 16.A O no hydrogen 2.873 N/A ASP 21.A N LYS 17.A O no hydrogen 2.740 N/A ALA 22.A N GLY 18.A O no hydrogen 2.832 N/A ALA 23.A N PHE 19.A O no hydrogen 3.136 N/A GLN 24.A N GLU 20.A O no hydrogen 2.871 N/A ALA 25.A N ASP 21.A O no hydrogen 3.010 N/A LEU 26.A N ALA 22.A O no hydrogen 2.812 N/A LEU 26.A N ALA 23.A O no hydrogen 3.176 N/A ASN 27.A N GLN 24.A O no hydrogen 3.148 N/A VAL 28.A N ALA 23.A O no hydrogen 2.947 N/A THR 29.A N GLU 1.A O no hydrogen 2.992 N/A GLU 31.A N TYR 3.A O no hydrogen 2.981 N/A TYR 32.A OH SER 8.A O no hydrogen 2.836 N/A ARG 33.A NH1 TYR 32.A O no hydrogen 2.752 N/A ALA 35.A N THR 5.A O no hydrogen 3.299 N/A ALA 36.A N GLU 42.A OE2 no hydrogen 3.015 N/A GLN 37.A N GLU 42.A OE1 no hydrogen 2.939 N/A GLN 41.A NE2 GLN 41.A O no hydrogen 3.692 N/A GLU 42.A N ASP 39.A OD2 no hydrogen 3.118 N/A GLN 43.A N ASP 39.A O no hydrogen 3.156 N/A GLN 43.A NE2 THR 5.A O no hydrogen 3.066 N/A GLN 43.A NE2 SER 61.A O no hydrogen 2.818 N/A ILE 44.A N ILE 40.A O no hydrogen 2.870 N/A THR 45.A N GLN 41.A O no hydrogen 3.026 N/A THR 45.A OG1 GLN 41.A O no hydrogen 2.884 N/A VAL 46.A N GLU 42.A O no hydrogen 3.116 N/A LEU 47.A N GLN 43.A O no hydrogen 2.867 N/A GLU 48.A N ILE 44.A O no hydrogen 2.873 N/A GLN 49.A N THR 45.A O no hydrogen 2.883 N/A ALA 50.A N VAL 46.A O no hydrogen 2.932 N/A ILE 51.A N LEU 47.A O no hydrogen 2.980 N/A ALA 52.A N GLU 48.A O no hydrogen 3.127 N/A LYS 53.A N ALA 50.A O no hydrogen 3.038 N/A LYS 53.A NZ GLU 31.A OE1 no hydrogen 3.130 N/A ASN 54.A N ILE 51.A O no hydrogen 2.876 N/A ALA 56.A N THR 2.A O no hydrogen 2.979 N/A ILE 58.A N PRO 81.A O no hydrogen 2.810 N/A ILE 60.A N VAL 83.A O no hydrogen 3.070 N/A SER 61.A N ILE 4.A O no hydrogen 3.069 N/A SER 61.A OG PHE 85.A O no hydrogen 3.209 N/A SER 61.A OG ASP 86.A OD2 no hydrogen 2.637 N/A ALA 62.A N SER 87.A O no hydrogen 3.113 N/A ILE 63.A N GLN 43.A OE1 no hydrogen 2.733 N/A VAL 66.A N ASP 64.A OD2 no hydrogen 2.932 N/A GLU 67.A N ASP 64.A OD2 no hydrogen 2.925 N/A THR 69.A N VAL 66.A O no hydrogen 3.249 N/A THR 69.A OG1 PRO 65.A O no hydrogen 3.499 N/A THR 69.A OG1 VAL 66.A O no hydrogen 3.425 N/A ILE 72.A N LEU 68.A O no hydrogen 3.004 N/A ASN 73.A N THR 69.A O no hydrogen 2.874 N/A LYS 74.A N ASP 70.A O no hydrogen 3.283 N/A LYS 74.A NZ GLU 48.A OE1 no hydrogen 3.388 N/A LYS 74.A NZ GLU 48.A OE2 no hydrogen 2.765 N/A ALA 75.A N THR 71.A O no hydrogen 3.264 N/A VAL 76.A N ILE 72.A O no hydrogen 3.138 N/A ASP 77.A N ASN 73.A O no hydrogen 2.685 N/A ALA 78.A N LYS 74.A O no hydrogen 2.837 N/A GLY 79.A N VAL 76.A O no hydrogen 2.806 N/A ILE 80.A N ALA 75.A O no hydrogen 3.152 N/A ILE 82.A N HIS 95.A ND1 no hydrogen 3.102 N/A VAL 83.A N ILE 58.A O no hydrogen 2.965 N/A LEU 84.A N SER 96.A O no hydrogen 2.914 N/A PHE 85.A N ILE 60.A O no hydrogen 3.023 N/A ASP 86.A N LEU 98.A O no hydrogen 3.036 N/A SER 87.A N SER 61.A OG no hydrogen 3.271 N/A SER 87.A N PHE 85.A O no hydrogen 2.712 N/A SER 87.A OG ASP 86.A OD2 no hydrogen 3.130 N/A SER 92.A N ALA 89.A O no hydrogen 2.994 N/A SER 92.A OG ALA 89.A O no hydrogen 2.822 N/A HIS 93.A N ASN 73.A OD1 no hydrogen 2.840 N/A HIS 95.A N ILE 82.A O no hydrogen 2.888 N/A SER 96.A OG PRO 266.A O no hydrogen 2.837 N/A PHE 97.A N LEU 267.A O no hydrogen 2.935 N/A LEU 98.A N LEU 84.A O no hydrogen 2.804 N/A GLY 99.A N VAL 269.A O no hydrogen 2.976 N/A TYR 103.A OH GLU 141.A OE1 no hydrogen 2.882 N/A ASN 104.A N ASN 101.A OD1 no hydrogen 3.044 N/A ALA 105.A N ASN 101.A O no hydrogen 2.872 N/A GLY 106.A N ASN 102.A O no hydrogen 3.089 N/A ALA 108.A N ALA 105.A O no hydrogen 3.006 N/A ALA 109.A N GLY 106.A O no hydrogen 2.893 N/A LYS 111.A N ASN 107.A O no hydrogen 3.055 N/A LYS 111.A NZ GLU 113.A OE2 no hydrogen 3.179 N/A GLU 113.A N TYR 110.A O no hydrogen 3.161 N/A LEU 114.A N LYS 111.A O no hydrogen 3.153 N/A ASP 116.A N GLU 113.A O no hydrogen 3.461 N/A GLY 117.A N ALA 112.A O no hydrogen 2.556 N/A GLU 118.A N LEU 115.A O no hydrogen 3.319 N/A GLY 119.A N ALA 149.A O no hydrogen 3.109 N/A VAL 121.A N GLU 151.A O no hydrogen 2.881 N/A ALA 122.A N GLY 181.A O no hydrogen 2.999 N/A VAL 123.A N ALA 154.A O no hydrogen 2.901 N/A ILE 124.A N PHE 183.A O no hydrogen 2.774 N/A THR 125.A N GLU 156.A O no hydrogen 2.865 N/A THR 125.A OG1 HIS 132.A O no hydrogen 3.408 N/A THR 125.A OG1 THR 136.A OG1 no hydrogen 3.227 N/A THR 125.A OG1 THR 185.A OG1 no hydrogen 2.582 N/A LEU 126.A N THR 125.A OG1 no hydrogen 2.696 N/A GLN 129.A N LEU 126.A O no hydrogen 3.194 N/A HIS 132.A N ASN 131.A OD1 no hydrogen 3.018 N/A HIS 132.A ND1 THR 185.A OG1 no hydrogen 2.868 N/A GLN 133.A N GLN 129.A O no hydrogen 2.910 N/A GLN 133.A NE2 PRO 127.A O no hydrogen 2.719 N/A GLU 134.A N LEU 130.A O no hydrogen 3.047 N/A ARG 135.A N ASN 131.A O no hydrogen 3.082 N/A ARG 135.A NE ASN 102.A OD1 no hydrogen 2.890 N/A ARG 135.A NH1 THR 185.A O no hydrogen 3.097 N/A ARG 135.A NH2 ASN 102.A OD1 no hydrogen 2.983 N/A THR 136.A N HIS 132.A O no hydrogen 2.996 N/A THR 136.A OG1 HIS 132.A O no hydrogen 2.885 N/A THR 137.A N GLN 133.A O no hydrogen 2.962 N/A THR 137.A OG1 GLN 133.A O no hydrogen 2.761 N/A GLY 138.A N GLU 134.A O no hydrogen 2.760 N/A PHE 139.A N ARG 135.A O no hydrogen 3.133 N/A LYS 140.A N THR 136.A O no hydrogen 2.965 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 3.104 N/A GLU 141.A N THR 137.A O no hydrogen 2.755 N/A THR 142.A N GLY 138.A O no hydrogen 2.980 N/A THR 142.A OG1 GLY 138.A O no hydrogen 2.795 N/A LEU 143.A N PHE 139.A O no hydrogen 3.074 N/A LEU 143.A N LYS 140.A O no hydrogen 3.225 N/A GLU 144.A N LYS 140.A O no hydrogen 2.988 N/A ALA 145.A N GLU 141.A O no hydrogen 3.041 N/A GLU 146.A N THR 142.A O no hydrogen 2.847 N/A PHE 147.A N LEU 143.A O no hydrogen 2.820 N/A ILE 150.A N PHE 147.A O no hydrogen 3.265 N/A GLU 151.A N GLY 119.A O no hydrogen 2.920 N/A ILE 153.A N VAL 121.A O no hydrogen 2.838 N/A GLU 156.A N VAL 123.A O no hydrogen 2.817 N/A GLY 158.A N THR 125.A O no hydrogen 3.008 N/A ARG 159.A N ASP 157.A OD1 no hydrogen 2.695 N/A ARG 159.A NE ASP 157.A OD2 no hydrogen 2.908 N/A ASP 161.A N GLY 158.A O no hydrogen 3.193 N/A SER 162.A OG ASN 188.A O no hydrogen 3.046 N/A HIS 164.A N ASP 161.A OD2 no hydrogen 3.023 N/A SER 165.A N ASP 161.A O no hydrogen 2.925 N/A SER 165.A OG GLY 158.A O no hydrogen 3.003 N/A SER 165.A OG ASP 161.A O no hydrogen 3.262 N/A ARG 166.A N SER 162.A O no hydrogen 2.938 N/A ARG 166.A NH1 ASP 195.A OD2 no hydrogen 3.446 N/A ARG 167.A N LEU 163.A O no hydrogen 3.205 N/A VAL 168.A N HIS 164.A O no hydrogen 2.958 N/A ALA 169.A N SER 165.A O no hydrogen 2.672 N/A HIS 170.A N ARG 166.A O no hydrogen 2.908 N/A GLN 171.A N ARG 167.A O no hydrogen 2.883 N/A GLN 171.A NE2 ASP 175.A OD1 no hydrogen 3.501 N/A GLN 171.A NE2 ASP 175.A OD2 no hydrogen 3.557 N/A LEU 172.A N VAL 168.A O no hydrogen 2.921 N/A LEU 173.A N ALA 169.A O no hydrogen 2.957 N/A GLU 174.A N HIS 170.A O no hydrogen 3.136 N/A ASP 175.A N GLN 171.A O no hydrogen 2.929 N/A TYR 176.A N LEU 172.A O no hydrogen 2.966 N/A LEU 179.A N TYR 176.A O no hydrogen 3.181 N/A ALA 180.A N GLU 120.A O no hydrogen 2.778 N/A GLY 181.A N GLU 120.A O no hydrogen 3.237 N/A ILE 182.A N GLN 207.A O no hydrogen 2.673 N/A PHE 183.A N ALA 122.A O no hydrogen 2.847 N/A ALA 184.A N ILE 209.A O no hydrogen 2.707 N/A THR 185.A N ILE 124.A O no hydrogen 2.972 N/A THR 185.A OG1 THR 125.A OG1 no hydrogen 2.582 N/A THR 185.A OG1 HIS 132.A ND1 no hydrogen 2.868 N/A ASN 188.A N GLU 186.A OE2 no hydrogen 3.134 N/A ASN 188.A ND2 GLU 186.A OE2 no hydrogen 3.034 N/A GLY 189.A N GLU 186.A OE1 no hydrogen 2.887 N/A GLY 190.A N GLU 186.A O no hydrogen 3.212 N/A VAL 191.A N ALA 187.A O no hydrogen 3.183 N/A GLY 192.A N ASN 188.A O no hydrogen 3.190 N/A VAL 193.A N GLY 189.A O no hydrogen 2.916 N/A GLY 194.A N GLY 190.A O no hydrogen 2.682 N/A ASP 195.A N VAL 191.A O no hydrogen 2.883 N/A ALA 196.A N GLY 192.A O no hydrogen 2.946 N/A VAL 197.A N VAL 193.A O no hydrogen 3.066 N/A ARG 198.A N GLY 194.A O no hydrogen 2.913 N/A ARG 198.A NE ASP 195.A OD1 no hydrogen 3.127 N/A ARG 198.A NH2 ASP 195.A OD1 no hydrogen 3.045 N/A LEU 199.A N ASP 195.A O no hydrogen 2.847 N/A GLU 200.A N VAL 197.A O no hydrogen 3.126 N/A SER 201.A N ARG 198.A O no hydrogen 2.988 N/A ARG 202.A N VAL 197.A O no hydrogen 2.899 N/A ARG 202.A NE GLU 205.A OE1 no hydrogen 2.836 N/A ARG 202.A NH1 GLU 200.A OE2 no hydrogen 3.024 N/A ARG 202.A NH2 GLU 205.A OE1 no hydrogen 2.780 N/A GLU 205.A N ARG 202.A O no hydrogen 2.697 N/A ILE 206.A N ARG 202.A O no hydrogen 3.405 N/A GLN 207.A N ALA 180.A O no hydrogen 2.844 N/A ILE 208.A N SER 227.A OG no hydrogen 2.946 N/A ILE 209.A N ILE 182.A O no hydrogen 2.780 N/A SER 210.A N ALA 228.A O no hydrogen 2.882 N/A PHE 211.A N SER 210.A OG no hydrogen 2.602 N/A ASP 212.A N LEU 230.A O no hydrogen 2.650 N/A LEU 218.A N ASP 214.A O no hydrogen 3.013 N/A ASP 219.A N LYS 215.A O no hydrogen 2.794 N/A LEU 220.A N GLY 216.A O no hydrogen 3.025 N/A VAL 221.A N THR 217.A O no hydrogen 3.061 N/A ASP 222.A N LEU 218.A O no hydrogen 2.786 N/A GLU 223.A N ASP 219.A O no hydrogen 2.877 N/A GLY 224.A N VAL 221.A O no hydrogen 3.100 N/A ILE 225.A N LEU 220.A O no hydrogen 2.966 N/A ILE 226.A N LEU 220.A O no hydrogen 3.143 N/A SER 227.A N ILE 208.A O no hydrogen 2.905 N/A SER 227.A OG GLN 207.A OE1 no hydrogen 2.976 N/A SER 227.A OG ILE 208.A O no hydrogen 3.501 N/A ALA 228.A N ILE 208.A O no hydrogen 3.272 N/A THR 229.A N VAL 276.A O no hydrogen 2.846 N/A THR 229.A OG1 ASP 212.A O no hydrogen 2.690 N/A LEU 230.A N SER 210.A O no hydrogen 2.975 N/A ALA 231.A N THR 274.A O no hydrogen 2.800 N/A GLN 232.A NE2 THR 100.A OG1 no hydrogen 2.519 N/A TRP 235.A NE1 ASP 21.A OD2 no hydrogen 2.659 N/A ASN 236.A ND2 THR 271.A O no hydrogen 3.185 N/A TYR 238.A N TRP 235.A O no hydrogen 2.884 N/A TRP 239.A N ASN 236.A O no hydrogen 2.824 N/A LEU 241.A N GLY 237.A O no hydrogen 3.075 N/A THR 242.A N TYR 238.A O no hydrogen 3.158 N/A THR 242.A OG1 TYR 238.A O no hydrogen 2.784 N/A TYR 243.A N TRP 239.A O no hydrogen 2.787 N/A LEU 244.A N SER 240.A O no hydrogen 2.809 N/A PHE 245.A N LEU 241.A O no hydrogen 2.815 N/A HIS 246.A N THR 242.A O no hydrogen 2.938 N/A HIS 246.A ND1 THR 242.A O no hydrogen 2.966 N/A LEU 247.A N TYR 243.A O no hydrogen 3.092 N/A HIS 248.A N LEU 244.A O no hydrogen 2.792 N/A HIS 249.A N PHE 245.A O no hydrogen 3.047 N/A HIS 249.A ND1 PHE 245.A O no hydrogen 3.126 N/A GLY 250.A N LEU 247.A O no hydrogen 2.919 N/A LEU 251.A N HIS 246.A O no hydrogen 2.743 N/A THR 252.A OG1 PRO 264.A O no hydrogen 2.932 N/A GLN 255.A N ALA 263.A O no hydrogen 3.079 N/A LEU 257.A N GLU 261.A O no hydrogen 2.687 N/A ARG 260.A N LEU 257.A O no hydrogen 2.782 N/A GLU 261.A N THR 259.A OG1 no hydrogen 3.403 N/A ALA 263.A N GLN 255.A O no hydrogen 2.784 N/A TYR 268.A OH GLY 99.A O no hydrogen 2.842 N/A VAL 269.A N PHE 97.A O no hydrogen 2.820 N/A THR 271.A N GLY 99.A O no hydrogen 3.160 N/A GLY 272.A N ASP 270.A OD1 no hydrogen 3.080 N/A THR 274.A N ALA 231.A O no hydrogen 2.645 N/A VAL 276.A N THR 229.A O no hydrogen 2.851 N/A THR 277.A N ASN 280.A OD1 no hydrogen 2.794 N/A THR 277.A OG1 ASN 280.A OD1 no hydrogen 3.516 N/A GLU 279.A N THR 277.A OG1 no hydrogen 3.084 N/A ASN 280.A N THR 277.A O no hydrogen 3.010 N/A ASN 280.A ND2 ILE 275.A O no hydrogen 2.892 N/A TYR 284.A N VAL 281.A O no hydrogen 3.086 N/A TYR 285.A OH ASP 219.A OD1 no hydrogen 2.664 N/A