Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PHE 10.A O no hydrogen 2.881 N/A PHE 5.A N ILE 8.A O no hydrogen 3.198 N/A ILE 8.A N PHE 5.A O no hydrogen 2.988 N/A PHE 10.A N LEU 3.A O no hydrogen 2.757 N/A THR 12.A OG1 PHE 136.A O no hydrogen 2.910 N/A ARG 16.A NH1 GLU 78.A OE1 no hydrogen 3.475 N/A THR 19.A OG1 GLU 78.A OE1 no hydrogen 2.321 N/A LEU 20.A N ARG 16.A O no hydrogen 3.049 N/A ARG 21.A N SER 17.A O no hydrogen 3.013 N/A ARG 21.A NH2 ASP 25.A OD2 no hydrogen 3.504 N/A LYS 22.A N GLU 18.A O no hydrogen 3.242 N/A VAL 23.A N THR 19.A O no hydrogen 2.773 N/A ARG 24.A N LEU 20.A O no hydrogen 3.344 N/A ARG 24.A NH1 PHE 102.A O no hydrogen 2.624 N/A ASP 25.A N ARG 21.A O no hydrogen 2.967 N/A GLU 26.A N LYS 22.A O no hydrogen 2.636 N/A PHE 27.A N LYS 22.A O no hydrogen 2.982 N/A ILE 29.A N SER 105.A OG no hydrogen 2.803 N/A ARG 30.A N ASP 33.A OD1 no hydrogen 2.976 N/A ARG 30.A NH1 THR 87.A O no hydrogen 2.553 N/A ARG 30.A NH1 SER 89.A OG no hydrogen 3.141 N/A ARG 30.A NH2 THR 87.A O no hydrogen 2.692 N/A ASP 33.A N ARG 30.A O no hydrogen 3.329 N/A VAL 34.A N ARG 91.A O no hydrogen 2.873 N/A ILE 35.A N LYS 112.A O no hydrogen 2.870 N/A ILE 36.A N PHE 93.A O no hydrogen 2.782 N/A LEU 37.A N ILE 114.A O no hydrogen 2.948 N/A THR 38.A N SER 95.A O no hydrogen 3.021 N/A THR 38.A OG1 THR 44.A OG1 no hydrogen 2.590 N/A THR 38.A OG1 HIS 96.A ND1 no hydrogen 2.585 N/A TYR 39.A OH GLY 158.A O no hydrogen 2.589 N/A SER 42.A OG TYR 39.A O no hydrogen 2.593 N/A THR 44.A OG1 THR 38.A OG1 no hydrogen 2.590 N/A ASN 45.A ND2 TYR 228.A OH no hydrogen 3.437 N/A LEU 47.A N GLY 43.A O no hydrogen 3.078 N/A ALA 48.A N THR 44.A O no hydrogen 2.942 N/A GLU 49.A N ASN 45.A O no hydrogen 3.046 N/A GLU 49.A N TRP 46.A O no hydrogen 3.083 N/A ILE 50.A N TRP 46.A O no hydrogen 3.036 N/A LEU 51.A N LEU 47.A O no hydrogen 2.802 N/A CYS 52.A N ALA 48.A O no hydrogen 2.908 N/A CYS 52.A SG ALA 48.A O no hydrogen 3.176 N/A LEU 53.A N GLU 49.A O no hydrogen 3.058 N/A LEU 53.A N ILE 50.A O no hydrogen 3.167 N/A MET 54.A N ILE 50.A O no hydrogen 2.807 N/A HIS 55.A N LEU 51.A O no hydrogen 3.181 N/A SER 56.A OG CYS 52.A O no hydrogen 3.245 N/A SER 56.A OG ASP 59.A O no hydrogen 2.568 N/A LYS 57.A N MET 54.A O no hydrogen 3.046 N/A LYS 57.A NZ THR 202.A O no hydrogen 3.242 N/A GLY 58.A N LEU 53.A O no hydrogen 2.849 N/A ASP 59.A N SER 56.A O no hydrogen 3.110 N/A LYS 61.A N ASP 59.A OD1 no hydrogen 2.932 N/A GLN 64.A N ALA 60.A O no hydrogen 3.152 N/A SER 65.A N TRP 62.A O no hydrogen 3.342 N/A SER 65.A OG LYS 61.A O no hydrogen 2.735 N/A VAL 66.A N TRP 62.A O no hydrogen 2.861 N/A ILE 68.A N MET 225.A O no hydrogen 3.004 N/A GLU 70.A N PRO 67.A O no hydrogen 2.947 N/A ARG 71.A N ILE 68.A O no hydrogen 3.313 N/A ARG 71.A NE VAL 66.A O no hydrogen 2.663 N/A ARG 71.A NH1 GLU 49.A OE1 no hydrogen 2.583 N/A ARG 71.A NH2 GLU 49.A OE1 no hydrogen 3.277 N/A ARG 71.A NH2 VAL 66.A O no hydrogen 3.211 N/A ARG 71.A NH2 SER 226.A OG no hydrogen 2.986 N/A SER 72.A N ILE 68.A O no hydrogen 3.067 N/A SER 72.A OG SER 94.A OG no hydrogen 2.835 N/A TRP 74.A NE1 HIS 96.A NE2 no hydrogen 3.105 N/A VAL 75.A N SER 94.A O no hydrogen 3.193 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.807 N/A SER 77.A N TRP 74.A O no hydrogen 3.116 N/A SER 77.A OG TRP 74.A O no hydrogen 2.675 N/A GLU 78.A N GLY 14.A O no hydrogen 3.027 N/A GLY 80.A N SER 77.A OG no hydrogen 3.112 N/A TYR 81.A N SER 77.A O no hydrogen 2.733 N/A THR 82.A N GLU 78.A O no hydrogen 3.181 N/A THR 82.A OG1 GLU 78.A O no hydrogen 2.897 N/A ALA 83.A N ILE 79.A O no hydrogen 2.887 N/A LEU 84.A N GLY 80.A O no hydrogen 3.027 N/A SER 85.A OG THR 82.A O no hydrogen 3.465 N/A GLU 86.A N ALA 83.A O no hydrogen 3.118 N/A THR 87.A N LEU 84.A O no hydrogen 2.987 N/A THR 87.A OG1 ALA 83.A O no hydrogen 2.702 N/A ARG 91.A NE ASP 33.A OD2 no hydrogen 2.771 N/A ARG 91.A NH1 LEU 84.A O no hydrogen 2.799 N/A ARG 91.A NH2 VAL 28.A O no hydrogen 2.951 N/A ARG 91.A NH2 ASP 33.A OD1 no hydrogen 2.825 N/A PHE 93.A N VAL 34.A O no hydrogen 3.083 N/A SER 94.A N PRO 73.A O no hydrogen 2.679 N/A SER 94.A OG SER 72.A O no hydrogen 3.476 N/A SER 94.A OG SER 72.A OG no hydrogen 2.835 N/A SER 95.A N ILE 36.A O no hydrogen 2.743 N/A SER 95.A OG GLU 76.A OE1 no hydrogen 2.444 N/A HIS 96.A N GLU 76.A OE2 no hydrogen 2.973 N/A HIS 96.A ND1 THR 38.A O no hydrogen 2.806 N/A LEU 97.A N SER 95.A OG no hydrogen 3.292 N/A GLN 100.A N GLN 100.A OE1 no hydrogen 3.063 N/A LEU 101.A N PRO 98.A O no hydrogen 2.880 N/A PHE 102.A N ILE 99.A O no hydrogen 3.107 N/A LYS 104.A N ARG 24.A O no hydrogen 2.676 N/A PHE 106.A N PRO 103.A O no hydrogen 3.086 N/A PHE 107.A N LYS 104.A O no hydrogen 3.065 N/A SER 109.A N PHE 106.A O no hydrogen 2.997 N/A SER 109.A OG PHE 106.A O no hydrogen 2.708 N/A LYS 110.A N ASP 31.A OD1 no hydrogen 2.789 N/A ALA 111.A N SER 109.A OG no hydrogen 3.232 N/A LYS 112.A N ASP 33.A O no hydrogen 3.148 N/A VAL 113.A N ASN 175.A O no hydrogen 3.010 N/A ILE 114.A N ILE 35.A O no hydrogen 2.781 N/A TYR 115.A N LEU 177.A O no hydrogen 2.844 N/A TYR 115.A OH HIS 163.A ND1 no hydrogen 2.861 N/A LEU 116.A N LEU 37.A O no hydrogen 3.025 N/A MET 117.A N LEU 179.A O no hydrogen 3.203 N/A ARG 118.A NH1 LYS 41.A O no hydrogen 3.065 N/A ARG 118.A NH2 VAL 247.A O no hydrogen 3.128 N/A ASN 119.A N GLU 182.A OE2 no hydrogen 2.955 N/A ARG 121.A N ASN 119.A OD1 no hydrogen 3.273 N/A ARG 121.A NH1 ASN 119.A OD1 no hydrogen 2.957 N/A ARG 121.A NH2 ASP 264.A OD1 no hydrogen 2.588 N/A VAL 123.A N ASN 119.A O no hydrogen 2.983 N/A LEU 124.A N PRO 120.A O no hydrogen 2.795 N/A VAL 125.A N ARG 121.A O no hydrogen 3.113 N/A SER 126.A N ASP 122.A O no hydrogen 2.877 N/A GLY 127.A N VAL 123.A O no hydrogen 2.875 N/A TYR 128.A N LEU 124.A O no hydrogen 2.897 N/A PHE 129.A N VAL 125.A O no hydrogen 3.348 N/A PHE 130.A N SER 126.A O no hydrogen 3.198 N/A TRP 131.A N GLY 127.A O no hydrogen 3.103 N/A TRP 131.A NE1 TYR 146.A OH no hydrogen 3.073 N/A LYS 132.A NZ TYR 128.A OH no hydrogen 3.118 N/A ASN 133.A ND2 LYS 239.A O no hydrogen 2.799 N/A MET 134.A N TRP 131.A O no hydrogen 3.167 N/A LYS 135.A N TYR 235.A O no hydrogen 3.009 N/A LYS 141.A N GLU 145.A OE2 no hydrogen 2.652 N/A TRP 143.A NE1 GLN 259.A OE1 no hydrogen 2.932 N/A GLU 145.A N SER 142.A OG no hydrogen 3.006 N/A TYR 146.A N SER 142.A O no hydrogen 3.169 N/A PHE 147.A N TRP 143.A O no hydrogen 2.905 N/A GLU 148.A N GLU 144.A O no hydrogen 3.264 N/A TRP 149.A N GLU 145.A O no hydrogen 2.808 N/A PHE 150.A N TYR 146.A O no hydrogen 2.855 N/A CYS 151.A N PHE 147.A O no hydrogen 3.133 N/A CYS 151.A SG PHE 147.A O no hydrogen 3.147 N/A GLN 152.A N GLU 148.A O no hydrogen 3.104 N/A GLN 152.A N TRP 149.A O no hydrogen 3.189 N/A GLY 153.A N TRP 149.A O no hydrogen 2.921 N/A GLY 153.A N PHE 150.A O no hydrogen 3.278 N/A THR 154.A N TRP 149.A O no hydrogen 3.145 N/A TYR 157.A N ALA 9.A O no hydrogen 2.729 N/A TYR 157.A OH GLU 76.A OE2 no hydrogen 3.099 N/A GLY 158.A N VAL 155.A O no hydrogen 2.809 N/A ASP 162.A N SER 159.A OG no hydrogen 3.059 N/A HIS 163.A N SER 159.A O no hydrogen 2.969 N/A HIS 163.A ND1 TYR 115.A OH no hydrogen 2.861 N/A HIS 163.A NE2 HIS 96.A O no hydrogen 2.714 N/A ILE 164.A N TRP 160.A O no hydrogen 3.059 N/A HIS 165.A N PHE 161.A O no hydrogen 2.971 N/A HIS 165.A ND1 PHE 161.A O no hydrogen 2.917 N/A HIS 165.A NE2 ASP 273.A OD2 no hydrogen 2.684 N/A GLY 166.A N ASP 162.A O no hydrogen 3.145 N/A TRP 167.A N HIS 163.A O no hydrogen 3.298 N/A TRP 167.A NE1 LEU 97.A O no hydrogen 3.047 N/A MET 168.A N ILE 164.A O no hydrogen 2.986 N/A MET 170.A N TRP 167.A O no hydrogen 3.066 N/A ARG 171.A N MET 168.A O no hydrogen 2.935 N/A ARG 171.A NH1 MET 168.A O no hydrogen 3.132 N/A GLU 173.A N MET 170.A O no hydrogen 2.818 N/A ASN 175.A ND2 ALA 111.A O no hydrogen 2.568 N/A PHE 176.A N GLU 173.A O no hydrogen 3.266 N/A LEU 177.A N VAL 113.A O no hydrogen 2.955 N/A LEU 179.A N TYR 115.A O no hydrogen 3.057 N/A SER 180.A N GLU 183.A OE1 no hydrogen 2.775 N/A TYR 181.A N MET 117.A O no hydrogen 2.851 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.634 N/A GLU 183.A N SER 180.A OG no hydrogen 2.926 N/A LEU 184.A N SER 180.A O no hydrogen 3.054 N/A LYS 185.A N TYR 181.A O no hydrogen 2.954 N/A LYS 185.A N GLU 182.A O no hydrogen 3.063 N/A LYS 185.A NZ GLY 246.A O no hydrogen 2.763 N/A GLN 186.A N GLU 182.A O no hydrogen 2.834 N/A ASP 187.A N GLU 183.A O no hydrogen 2.914 N/A THR 188.A OG1 LEU 184.A O no hydrogen 2.801 N/A ARG 190.A N ASP 187.A OD1 no hydrogen 3.178 N/A THR 191.A N ASP 187.A O no hydrogen 2.985 N/A THR 191.A OG1 GLU 183.A O no hydrogen 3.128 N/A THR 191.A OG1 ASP 187.A O no hydrogen 2.679 N/A ILE 192.A N THR 188.A O no hydrogen 2.838 N/A GLU 193.A N GLY 189.A O no hydrogen 2.888 N/A LYS 194.A N ARG 190.A O no hydrogen 2.984 N/A LYS 194.A NZ GLU 183.A OE2 no hydrogen 2.842 N/A ILE 195.A N THR 191.A O no hydrogen 2.895 N/A CYS 196.A N ILE 192.A O no hydrogen 2.908 N/A CYS 196.A SG ILE 192.A O no hydrogen 3.488 N/A GLN 197.A N GLU 193.A O no hydrogen 3.069 N/A PHE 198.A N LYS 194.A O no hydrogen 3.254 N/A LEU 199.A N ILE 195.A O no hydrogen 2.937 N/A LYS 201.A N CYS 196.A O no hydrogen 2.866 N/A GLU 204.A N GLU 207.A OE2 no hydrogen 2.936 N/A GLU 207.A N GLU 204.A O no hydrogen 2.768 N/A LEU 208.A N GLU 204.A O no hydrogen 3.157 N/A ASN 209.A N PRO 205.A O no hydrogen 3.001 N/A LEU 210.A N GLU 206.A O no hydrogen 3.229 N/A LEU 210.A N GLU 207.A O no hydrogen 3.173 N/A ILE 211.A N GLU 207.A O no hydrogen 3.095 N/A ILE 211.A N LEU 208.A O no hydrogen 2.989 N/A LEU 212.A N LEU 208.A O no hydrogen 2.917 N/A LYS 213.A N ASN 209.A O no hydrogen 2.964 N/A ASN 214.A N LEU 210.A O no hydrogen 2.961 N/A ASN 214.A ND2 GLY 58.A O no hydrogen 2.901 N/A SER 215.A N ILE 211.A O no hydrogen 3.020 N/A SER 215.A OG ILE 211.A O no hydrogen 2.506 N/A SER 216.A OG LYS 213.A O no hydrogen 3.438 N/A SER 216.A OG SER 219.A OG no hydrogen 2.746 N/A SER 219.A N SER 216.A OG no hydrogen 2.809 N/A SER 219.A OG LYS 213.A O no hydrogen 2.800 N/A SER 219.A OG SER 216.A OG no hydrogen 2.746 N/A MET 220.A N SER 216.A O no hydrogen 3.006 N/A LYS 221.A N PHE 217.A O no hydrogen 2.801 N/A GLU 222.A N GLN 218.A O no hydrogen 2.823 N/A ASN 223.A N MET 220.A O no hydrogen 3.159 N/A ASN 223.A ND2 ILE 63.A O no hydrogen 2.690 N/A MET 225.A N ASN 223.A OD1 no hydrogen 2.906 N/A SER 226.A N ASN 223.A O no hydrogen 2.901 N/A SER 226.A OG GLU 49.A OE1 no hydrogen 3.133 N/A SER 226.A OG GLU 49.A OE2 no hydrogen 2.588 N/A ASN 227.A ND2 LYS 221.A O no hydrogen 2.700 N/A SER 229.A N ASN 227.A OD1 no hydrogen 2.968 N/A SER 229.A OG LYS 224.A O no hydrogen 3.288 N/A SER 229.A OG ASN 227.A OD1 no hydrogen 2.715 N/A LEU 231.A N TYR 228.A O no hydrogen 3.214 N/A ASP 234.A N SER 232.A OG no hydrogen 2.864 N/A TYR 235.A N SER 232.A O no hydrogen 3.010 N/A VAL 237.A N ASN 133.A O no hydrogen 2.589 N/A ARG 244.A NH1 ASP 250.A OD1 no hydrogen 3.069 N/A ARG 244.A NH2 ASP 250.A OD1 no hydrogen 2.766 N/A GLY 249.A N ASP 122.A OD2 no hydrogen 3.001 N/A TRP 251.A N ASP 122.A OD1 no hydrogen 2.924 N/A LYS 252.A N GLY 249.A O no hydrogen 3.289 N/A ASN 253.A N ASP 250.A O no hydrogen 2.878 N/A ASN 253.A ND2 ASP 250.A OD2 no hydrogen 2.749 N/A HIS 254.A N TRP 251.A O no hydrogen 3.140 N/A HIS 254.A NE2 ASP 250.A OD1 no hydrogen 3.040 N/A PHE 255.A N TRP 251.A O no hydrogen 2.925 N/A THR 256.A N GLN 259.A OE1 no hydrogen 3.065 N/A GLN 259.A N THR 256.A OG1 no hydrogen 2.958 N/A ALA 260.A N THR 256.A O no hydrogen 2.803 N/A GLU 261.A N VAL 257.A O no hydrogen 2.873 N/A ASP 262.A N ALA 258.A O no hydrogen 3.163 N/A PHE 263.A N GLN 259.A O no hydrogen 2.973 N/A ASP 264.A N ALA 260.A O no hydrogen 3.062 N/A LYS 265.A N GLU 261.A O no hydrogen 3.246 N/A LEU 266.A N ASP 262.A O no hydrogen 2.924 N/A PHE 267.A N PHE 263.A O no hydrogen 2.563 N/A GLN 268.A N ASP 264.A O no hydrogen 2.777 N/A GLU 269.A N LYS 265.A O no hydrogen 3.052 N/A LYS 270.A N LEU 266.A O no hydrogen 3.018 N/A MET 271.A N PHE 267.A O no hydrogen 3.052 N/A LEU 274.A N MET 271.A O no hydrogen 3.109 N/A LEU 278.A N PRO 275.A O no hydrogen 3.028 N/A PHE 279.A N ARG 276.A O no hydrogen 3.120 N/A