Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ILE 10.A O no hydrogen 2.679 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 1.998 N/A LYS 8.A N TYR 5.A O no hydrogen 3.078 N/A ASP 9.A N SER 63.A OG no hydrogen 3.196 N/A ILE 10.A N PHE 3.A O no hydrogen 2.967 N/A TYR 11.A N SER 62.A OG no hydrogen 3.083 N/A TYR 12.A N SER 1.A O no hydrogen 3.429 N/A GLU 13.A N ARG 53.A O no hydrogen 2.593 N/A ASP 15.A N LEU 51.A O no hydrogen 3.032 N/A ASN 21.A N ASP 19.A OD1 no hydrogen 3.035 N/A SER 22.A N ASP 19.A O no hydrogen 3.517 N/A ILE 25.A N VAL 50.A O no hydrogen 3.043 N/A VAL 26.A N ASN 91.A O no hydrogen 2.757 N/A ILE 27.A N LEU 52.A O no hydrogen 3.094 N/A LEU 28.A N VAL 93.A O no hydrogen 3.083 N/A MET 33.A N GLY 30.A O no hydrogen 3.079 N/A SER 34.A N SER 37.A OG no hydrogen 3.054 N/A SER 34.A OG SER 37.A OG no hydrogen 3.425 N/A THR 35.A N ASP 55.A OD1 no hydrogen 2.840 N/A THR 35.A OG1 GLU 13.A OE1 no hydrogen 2.999 N/A LYS 36.A NZ TYR 11.A OH no hydrogen 3.247 N/A LYS 36.A NZ GLU 13.A OE1 no hydrogen 2.523 N/A SER 37.A N SER 34.A O no hydrogen 3.198 N/A SER 37.A OG SER 34.A O no hydrogen 3.416 N/A SER 37.A OG SER 34.A OG no hydrogen 3.425 N/A TRP 38.A N THR 35.A O no hydrogen 3.131 N/A ASP 39.A N LYS 36.A O no hydrogen 3.329 N/A PHE 41.A N TRP 38.A O no hydrogen 2.967 N/A VAL 42.A N ASP 39.A O no hydrogen 3.355 N/A PHE 45.A N PHE 41.A O no hydrogen 2.913 N/A SER 46.A N VAL 42.A O no hydrogen 2.927 N/A SER 46.A OG VAL 42.A O no hydrogen 2.619 N/A VAL 50.A N ASP 23.A O no hydrogen 2.996 N/A LEU 51.A N ASP 15.A O no hydrogen 3.022 N/A LEU 52.A N ILE 25.A O no hydrogen 2.804 N/A ARG 53.A N GLU 13.A O no hydrogen 2.934 N/A ARG 53.A NH1 ASP 39.A OD1 no hydrogen 2.660 N/A ARG 53.A NH2 ASP 15.A OD2 no hydrogen 3.034 N/A ASP 55.A N TYR 11.A O no hydrogen 2.977 N/A MET 56.A N GLN 59.A OE1 no hydrogen 3.246 N/A PHE 57.A N GLN 74.A OE1 no hydrogen 3.093 N/A ASP 58.A N SER 63.A O no hydrogen 3.055 N/A GLN 59.A N MET 56.A O no hydrogen 3.041 N/A GLN 59.A NE2 GLY 30.A O no hydrogen 3.045 N/A GLN 61.A N ASP 55.A OD2 no hydrogen 3.134 N/A SER 62.A N GLN 59.A O no hydrogen 2.942 N/A SER 62.A OG ASP 55.A O no hydrogen 2.591 N/A SER 63.A N ASP 9.A O no hydrogen 3.020 N/A SER 63.A OG ASP 9.A O no hydrogen 3.471 N/A ILE 65.A N ASP 58.A OD1 no hydrogen 3.034 N/A TYR 69.A OH ASP 58.A OD2 no hydrogen 2.753 N/A THR 70.A OG1 THR 72.A OG1 no hydrogen 2.988 N/A THR 72.A N THR 70.A OG1 no hydrogen 3.309 N/A THR 72.A OG1 THR 70.A OG1 no hydrogen 2.988 N/A GLN 74.A N GLN 71.A O no hydrogen 3.165 N/A GLN 74.A NE2 PHE 57.A O no hydrogen 3.319 N/A VAL 75.A N GLN 71.A O no hydrogen 3.165 N/A GLU 76.A N THR 72.A O no hydrogen 2.957 N/A LEU 77.A N ILE 73.A O no hydrogen 3.257 N/A LEU 78.A N GLN 74.A O no hydrogen 3.210 N/A LYS 79.A N VAL 75.A O no hydrogen 3.251 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.295 N/A ASN 80.A N GLU 76.A O no hydrogen 3.126 N/A LEU 81.A N LEU 77.A O no hydrogen 2.916 N/A LEU 82.A N LEU 78.A O no hydrogen 3.177 N/A GLU 83.A N LYS 79.A O no hydrogen 3.018 N/A HIS 84.A N ASN 80.A O no hydrogen 3.047 N/A LEU 85.A N LEU 81.A O no hydrogen 3.101 N/A GLY 86.A N GLU 83.A O no hydrogen 3.278 N/A ILE 87.A N LEU 82.A O no hydrogen 2.701 N/A GLN 89.A NE2 THR 111.A O no hydrogen 2.752 N/A ALA 90.A N MET 112.A O no hydrogen 3.110 N/A ASN 91.A N VAL 24.A O no hydrogen 2.689 N/A ILE 92.A N ARG 115.A O no hydrogen 3.075 N/A VAL 93.A N VAL 26.A O no hydrogen 3.034 N/A GLY 94.A N VAL 117.A O no hydrogen 2.980 N/A ILE 95.A N LEU 28.A O no hydrogen 3.445 N/A SER 96.A N ALA 119.A O no hydrogen 2.987 N/A TYR 97.A OH SER 195.A OG no hydrogen 3.021 N/A GLY 98.A N ILE 95.A O no hydrogen 2.912 N/A SER 100.A N SER 96.A O no hydrogen 3.170 N/A SER 100.A N TYR 97.A O no hydrogen 3.047 N/A SER 100.A OG SER 96.A O no hydrogen 3.343 N/A ILE 101.A N TYR 97.A O no hydrogen 3.200 N/A ALA 102.A N GLY 98.A O no hydrogen 3.036 N/A LEU 103.A N ALA 99.A O no hydrogen 3.307 N/A GLN 104.A N SER 100.A O no hydrogen 3.209 N/A GLN 104.A NE2 HIS 199.A ND1 no hydrogen 3.303 N/A PHE 105.A N ILE 101.A O no hydrogen 2.690 N/A ALA 106.A N ALA 102.A O no hydrogen 2.731 N/A ALA 107.A N GLN 104.A O no hydrogen 3.063 N/A LYS 108.A NZ GLU 76.A OE2 no hydrogen 2.610 N/A TYR 109.A N PHE 105.A O no hydrogen 2.836 N/A TYR 109.A OH GLU 76.A OE1 no hydrogen 2.916 N/A TYR 109.A OH GLU 76.A OE2 no hydrogen 2.581 N/A MET 112.A N TYR 109.A O no hydrogen 3.455 N/A ILE 113.A N PRO 110.A O no hydrogen 3.191 N/A LYS 114.A N ALA 90.A O no hydrogen 3.266 N/A ARG 115.A N ASN 91.A OD1 no hydrogen 3.223 N/A ARG 115.A NH1 PHE 265.A O no hydrogen 2.700 N/A ARG 115.A NH1 GLN 268.A O no hydrogen 2.617 N/A ARG 115.A NH2 GLN 268.A O no hydrogen 2.625 N/A ARG 115.A NH2 THR 269.A O no hydrogen 3.360 N/A MET 116.A N PRO 211.A O no hydrogen 2.927 N/A VAL 117.A N ILE 92.A O no hydrogen 2.779 N/A ALA 119.A N GLY 94.A O no hydrogen 3.002 N/A ASN 120.A N ILE 215.A O no hydrogen 3.185 N/A ASN 120.A ND2 SER 217.A OG no hydrogen 3.314 N/A ASN 120.A ND2 ASP 220.A OD2 no hydrogen 2.727 N/A ASN 120.A ND2 GLY 247.A O no hydrogen 3.680 N/A LYS 124.A NZ THR 125.A O no hydrogen 3.355 N/A THR 125.A N HIS 199.A O no hydrogen 3.080 N/A THR 125.A OG1 ALA 196.A O no hydrogen 2.452 N/A LEU 129.A N SER 126.A OG no hydrogen 3.215 N/A LYS 130.A N SER 126.A O no hydrogen 2.875 N/A ASP 131.A N PRO 127.A O no hydrogen 3.237 N/A ILE 132.A N TRP 128.A O no hydrogen 3.262 N/A GLY 133.A N LEU 129.A O no hydrogen 3.069 N/A ASP 134.A N LYS 130.A O no hydrogen 2.898 N/A GLY 135.A N ASP 131.A O no hydrogen 2.976 N/A TRP 136.A N ILE 132.A O no hydrogen 2.959 N/A ASN 137.A N GLY 133.A O no hydrogen 2.927 N/A GLU 138.A N ASP 134.A O no hydrogen 2.999 N/A VAL 139.A N GLY 135.A O no hydrogen 3.144 N/A ALA 140.A N TRP 136.A O no hydrogen 2.947 N/A LYS 141.A N ASN 137.A O no hydrogen 2.768 N/A THR 142.A N VAL 139.A O no hydrogen 3.161 N/A THR 142.A OG1 VAL 139.A O no hydrogen 2.582 N/A GLY 143.A N ALA 140.A O no hydrogen 3.272 N/A ASN 144.A N THR 142.A OG1 no hydrogen 3.304 N/A ALA 147.A N ASN 144.A OD1 no hydrogen 3.041 N/A TYR 148.A N ASN 144.A O no hydrogen 2.915 N/A TYR 149.A N GLY 145.A O no hydrogen 3.046 N/A HIS 150.A N LEU 146.A O no hydrogen 3.180 N/A THR 152.A N TYR 149.A O no hydrogen 3.099 N/A THR 152.A OG1 TYR 148.A O no hydrogen 2.762 N/A THR 152.A OG1 TYR 149.A O no hydrogen 3.155 N/A ILE 153.A N TYR 149.A O no hydrogen 3.216 N/A TYR 155.A N THR 152.A O no hydrogen 3.310 N/A ILE 156.A N ILE 153.A O no hydrogen 2.925 N/A TYR 157.A N ILE 153.A O no hydrogen 3.315 N/A SER 158.A N GLU 253.A OE1 no hydrogen 2.760 N/A SER 158.A OG GLU 253.A OE1 no hydrogen 3.146 N/A SER 158.A OG GLU 253.A OE2 no hydrogen 2.747 N/A GLN 160.A N GLN 160.A OE1 no hydrogen 2.663 N/A TYR 162.A N SER 158.A O no hydrogen 2.907 N/A THR 163.A N PRO 159.A O no hydrogen 3.125 N/A THR 163.A OG1 PRO 159.A O no hydrogen 2.876 N/A LEU 164.A N GLN 160.A O no hydrogen 2.886 N/A HIS 165.A N PHE 161.A O no hydrogen 2.905 N/A MET 169.A N HIS 165.A O no hydrogen 3.041 N/A GLU 170.A N ASN 166.A O no hydrogen 2.800 N/A LYS 171.A N ASP 167.A O no hydrogen 3.042 N/A ARG 172.A N TRP 168.A O no hydrogen 3.376 N/A LYS 173.A N GLU 170.A O no hydrogen 3.012 N/A GLU 174.A N GLU 170.A O no hydrogen 3.192 N/A LEU 175.A N ARG 172.A O no hydrogen 3.415 N/A LEU 176.A N ARG 172.A O no hydrogen 2.986 N/A VAL 177.A N LYS 173.A O no hydrogen 3.339 N/A LEU 179.A N LEU 175.A O no hydrogen 3.252 N/A PHE 180.A N LEU 176.A O no hydrogen 2.646 N/A SER 181.A N PRO 178.A O no hydrogen 3.112 N/A SER 181.A OG VAL 177.A O no hydrogen 2.611 N/A THR 182.A N LEU 179.A O no hydrogen 3.402 N/A THR 182.A OG1 LEU 179.A O no hydrogen 2.824 N/A PHE 185.A N THR 182.A OG1 no hydrogen 3.351 N/A LEU 186.A N THR 182.A O no hydrogen 3.220 N/A ASP 187.A N ARG 183.A O no hydrogen 3.097 N/A ARG 188.A N THR 184.A O no hydrogen 3.393 N/A ARG 188.A NH1 SER 62.A O no hydrogen 3.201 N/A ARG 188.A NH2 SER 62.A O no hydrogen 3.487 N/A MET 189.A N PHE 185.A O no hydrogen 2.927 N/A ILE 190.A N LEU 186.A O no hydrogen 2.799 N/A ARG 191.A N ASP 187.A O no hydrogen 3.274 N/A ARG 191.A NE ASP 58.A OD2 no hydrogen 2.753 N/A ARG 191.A NH2 ASP 58.A OD1 no hydrogen 2.411 N/A LEU 192.A N ARG 188.A O no hydrogen 3.025 N/A THR 193.A N MET 189.A O no hydrogen 2.845 N/A THR 193.A N ILE 190.A O no hydrogen 3.256 N/A THR 193.A OG1 ASN 137.A OD1 no hydrogen 3.537 N/A THR 193.A OG1 MET 189.A O no hydrogen 2.481 N/A LYS 194.A N ILE 190.A O no hydrogen 2.969 N/A SER 195.A N ARG 191.A O no hydrogen 3.281 N/A SER 195.A OG TYR 97.A OH no hydrogen 3.021 N/A SER 195.A OG ARG 191.A O no hydrogen 3.495 N/A SER 195.A OG LEU 192.A O no hydrogen 2.650 N/A ALA 196.A N THR 193.A O no hydrogen 3.330 N/A GLU 197.A N LYS 194.A O no hydrogen 3.198 N/A THR 198.A OG1 SER 195.A O no hydrogen 3.385 N/A HIS 199.A N ALA 196.A O no hydrogen 3.311 N/A HIS 199.A NE2 VAL 122.A O no hydrogen 2.866 N/A VAL 201.A N ALA 123.A O no hydrogen 2.981 N/A ILE 202.A N ASP 200.A OD1 no hydrogen 3.222 N/A ASP 204.A N VAL 201.A O no hydrogen 2.942 N/A LEU 205.A N VAL 201.A O no hydrogen 3.013 N/A LEU 205.A N ILE 202.A O no hydrogen 3.378 N/A ASN 207.A N ASP 204.A O no hydrogen 3.063 N/A ILE 208.A N LEU 205.A O no hydrogen 3.154 N/A LYS 209.A NZ GLN 236.A OE1 no hydrogen 2.590 N/A THR 212.A N ASN 237.A O no hydrogen 2.866 N/A THR 212.A OG1 THR 210.A O no hydrogen 2.723 N/A LEU 213.A N MET 116.A O no hydrogen 3.124 N/A ILE 214.A N GLU 239.A O no hydrogen 2.378 N/A ILE 215.A N VAL 118.A O no hydrogen 3.006 N/A SER 216.A N VAL 241.A O no hydrogen 2.716 N/A SER 216.A OG GLN 228.A OE1 no hydrogen 2.910 N/A SER 217.A OG GLY 247.A O no hydrogen 2.831 N/A GLU 218.A N ILE 243.A O no hydrogen 3.192 N/A GLU 219.A N CYS 246.A O no hydrogen 2.893 N/A ASP 220.A N SER 217.A O no hydrogen 3.218 N/A TYR 221.A OH GLU 219.A OE1 no hydrogen 2.862 N/A LEU 222.A N ASP 220.A OD1 no hydrogen 3.007 N/A THR 223.A N ASP 220.A OD1 no hydrogen 2.933 N/A THR 223.A OG1 ASP 220.A OD2 no hydrogen 2.638 N/A THR 223.A OG1 THR 223.A O no hydrogen 2.607 N/A THR 223.A OG1 HIS 248.A ND1 no hydrogen 3.208 N/A GLU 227.A N PRO 224.A O no hydrogen 2.932 N/A GLN 228.A NE2 VAL 121.A O no hydrogen 2.859 N/A GLN 228.A NE2 THR 223.A O no hydrogen 3.190 N/A LYS 229.A N PRO 225.A O no hydrogen 2.818 N/A TYR 230.A N PHE 226.A O no hydrogen 3.142 N/A LEU 231.A N GLU 227.A O no hydrogen 3.218 N/A GLN 232.A N GLN 228.A O no hydrogen 3.109 N/A GLN 232.A NE2 ALA 238.A O no hydrogen 3.678 N/A GLU 233.A N TYR 230.A O no hydrogen 3.279 N/A HIS 234.A N TYR 230.A O no hydrogen 3.412 N/A HIS 234.A ND1 TYR 230.A O no hydrogen 3.129 N/A LEU 235.A N LEU 231.A O no hydrogen 3.059 N/A GLN 236.A NE2 PRO 206.A O no hydrogen 2.216 N/A ASN 237.A ND2 LYS 209.A O no hydrogen 2.561 N/A GLU 239.A N THR 212.A O no hydrogen 2.424 N/A VAL 241.A N ILE 214.A O no hydrogen 2.792 N/A SER 242.A OG GLU 218.A OE2 no hydrogen 3.307 N/A ILE 243.A N SER 216.A O no hydrogen 2.620 N/A CYS 246.A SG SER 217.A OG no hydrogen 3.564 N/A CYS 246.A SG GLY 247.A O no hydrogen 3.664 N/A CYS 246.A SG GLU 253.A OE2 no hydrogen 3.802 N/A GLY 247.A N GLU 253.A OE1 no hydrogen 2.924 N/A GLY 247.A N GLU 253.A OE2 no hydrogen 3.175 N/A HIS 248.A ND1 ASP 220.A OD2 no hydrogen 2.990 N/A ALA 249.A N ILE 156.A O no hydrogen 2.745 N/A SER 250.A OG ASN 120.A OD1 no hydrogen 3.054 N/A TYR 252.A N ALA 249.A O no hydrogen 3.192 N/A TYR 252.A OH SER 37.A O no hydrogen 3.189 N/A GLU 253.A N ALA 249.A O no hydrogen 3.169 N/A VAL 254.A N SER 250.A O no hydrogen 3.028 N/A PHE 258.A N VAL 254.A O no hydrogen 2.947 N/A THR 259.A N PRO 255.A O no hydrogen 3.025 N/A THR 259.A OG1 PRO 255.A O no hydrogen 2.832 N/A ALA 260.A N LYS 256.A O no hydrogen 3.095 N/A LEU 261.A N THR 257.A O no hydrogen 3.001 N/A VAL 262.A N PHE 258.A O no hydrogen 3.112 N/A LEU 263.A N THR 259.A O no hydrogen 2.754 N/A GLY 264.A N ALA 260.A O no hydrogen 2.770 N/A PHE 265.A N LEU 261.A O no hydrogen 2.946 N/A PHE 266.A N VAL 262.A O no hydrogen 3.087 N/A GLY 267.A N LEU 263.A O no hydrogen 2.724 N/A GLN 268.A NE2 GLY 264.A O no hydrogen 3.625 N/A LYS 270.A NZ GLN 274.A OE1 no hydrogen 3.475 N/A TYR 273.A OH GLN 268.A OE1 no hydrogen 3.059 N/A GLN 274.A N GLN 274.A OE1 no hydrogen 2.407 N/A