A0A077ZDE9_TRITR Loading...

IDO domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 399 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M89.8Confident95.5Very high130 Ų13059.8 Ų59.864%0.6432%0.317SS*.  0130.50-77.1-65.5-73.200107.1F181 V184 K185 W309M1-F181 HydrophobicContact CE-CD1 4.35Å; M1-F181 WeakPolarHBondContact CE-O 3.46Å; M1-V184 HydrophobicContact CE-CB 3.88Å; M1-V184 HydrophobicContact CE-CG1 3.67Å; M1-V184 HydrophobicContact SD-CG1 3.96Å; M1-K185 HydrophobicContact CE-CB 4.24Å; M1-W309 HydrophobicContact CE-CH2 4.05Å; M1-W309 HydrophobicContact CE-CZ2 3.62Å; M1-W309 HydrophobicContact SD-CZ2 4.33Å
2P94.7Very high95.4Very high32 Ų3260.3 Ų60.321%0.20833%0.325CS..  trans-68.1170.8170.630.4-33.5000110.9D6 F7 F181 W309P2-D6 WeakPolarHBondContact CA-OD2 3.49Å; P2-D6 HydrophobicContact CB-CB 4.14Å; P2-D6 VanDerWaalsContact CB-OD2 3.26Å; P2-D6 WeakPolarHBondContact CB-OD2 3.48Å; P2-F7 HydrophobicContact CB-CE2 3.74Å; P2-F7 HydrophobicContact CB-CZ 4.06Å; P2-F7 HydrophobicContact CG-CE2 3.66Å; P2-F7 HydrophobicContact CG-CZ 3.79Å; P2-F181 HydrophobicContact CG-CE1 4.23Å; P2-F181 WeakPolarHBondContact O-CD1 3.22Å; P2-F181 WeakPolarHBondContact O-CE1 3.39Å; P2-W309 HydrophobicContact CG-CD2 4.18Å; P2-W309 HydrophobicContact CG-CG 4.49Å; P2-W309 HydrophobicContact CG-CZ2 3.77Å
3T95.7Very high95.4Very high63 Ų6356.9 Ų56.939%0.38731%0.306SS..  trans-107.4166.9168.176.80000110.6E5 D6 F7T3-E5 WeakPolarHBondContact CB-OE2 3.31Å; T3-E5 PolarHBondContact O-N 3.36Å; T3-E5 PolarHBondContact OG1-N 3.26Å; T3-E5 PolarHBondContact OG1-OE2 3.17Å; T3-D6 PolarHBondContact N-OD2 3.33Å; T3-D6 WeakPolarHBondContact O-CB 3.31Å; T3-D6 PolarHBondContact O-N 3.47Å; T3-F7 WeakPolarHBondContact O-CD2 3.33Å
4P96.3Very high95.5Very high22 Ų2252.9 Ų52.914%0.14328%0.284CS..G310 helixtrans-52.8-37.9173.5-27.535.7000113.5D6 F7 H8 V9 F181P4-D6 VanDerWaalsContact C-N 3.31Å; P4-D6 PolarHBondContact O-N 3.01Å; P4-F7 WeakPolarHBondContact O-CA 3.3Å; P4-F7 WeakPolarHBondContact O-CB 3.42Å; P4-F7 PolarHBondContact O-N 2.94Å; P4-H8 PolarHBondContact O-N 2.59Å; P4-V9 CarbonylContact C-O 3.53Å; P4-V9 VanDerWaalsContact C-O 3.3Å; P4-V9 HydrophobicContact CB-CB 4.12Å; P4-V9 HydrophobicContact CB-CG1 4.28Å; P4-V9 WeakPolarHBondContact CB-O 3.19Å; P4-V9 WeakPolarHBondContact O-CB 3.42Å; P4-V9 PolarHBondContact O-N 3.25Å; P4-F181 HydrophobicContact CB-CE2 4.39Å; P4-F181 HydrophobicContact CB-CZ 4.41Å; P4-F181 HydrophobicContact CG-CD2 4.37Å; P4-F181 HydrophobicContact CG-CE2 3.72Å; P4-F181 HydrophobicContact CG-CZ 3.93Å
5E96.8Very high95.6Very high98 Ų9849.5 Ų49.546%0.45827%0.266SS..G310 helixtrans-66.1-29.2-177.1-6083.3174.500112.9T3 F7 H8 P11T3-E5 WeakPolarHBondContact CB-OE2 3.31Å; T3-E5 PolarHBondContact O-N 3.36Å; T3-E5 PolarHBondContact OG1-N 3.26Å; T3-E5 PolarHBondContact OG1-OE2 3.17Å; E5-F7 PolarHBondContact O-N 3.34Å; E5-F7 VanDerWaalsContact O-N 3.1Å; E5-H8 WeakPolarHBondContact O-CA 3.49Å; E5-H8 PolarHBondContact O-N 3.04Å; E5-P11 WeakPolarHBondContact OE1-CG 3.36Å
6D97.4Very high95.8Very high95 Ų9546.8 Ų46.851%0.50825%0.251SS..G310 helixtrans-59.9-21172.4-67.4-38.7000112.3P2 T3 P4P2-D6 WeakPolarHBondContact CA-OD2 3.49Å; P2-D6 HydrophobicContact CB-CB 4.14Å; P2-D6 VanDerWaalsContact CB-OD2 3.26Å; P2-D6 WeakPolarHBondContact CB-OD2 3.48Å; T3-D6 PolarHBondContact N-OD2 3.33Å; T3-D6 WeakPolarHBondContact O-CB 3.31Å; T3-D6 PolarHBondContact O-N 3.47Å; P4-D6 VanDerWaalsContact C-N 3.31Å; P4-D6 PolarHBondContact O-N 3.01Å
7F97.6Very high95.8Very high17 Ų1745.1 Ų45.18%0.07524%0.242CC..G310 helixtrans-104.48.2175.1-54.8-79.6000113.2P2 T3 P4 E5 V9 F181 S302 R305 F306 W309P2-F7 HydrophobicContact CB-CE2 3.74Å; P2-F7 HydrophobicContact CB-CZ 4.06Å; P2-F7 HydrophobicContact CG-CE2 3.66Å; P2-F7 HydrophobicContact CG-CZ 3.79Å; T3-F7 WeakPolarHBondContact O-CD2 3.33Å; P4-F7 WeakPolarHBondContact O-CA 3.3Å; P4-F7 WeakPolarHBondContact O-CB 3.42Å; P4-F7 PolarHBondContact O-N 2.94Å; E5-F7 PolarHBondContact O-N 3.34Å; E5-F7 VanDerWaalsContact O-N 3.1Å; F7-V9 HydrophobicContact CB-CG2 3.88Å; F7-V9 PolarHBondContact O-N 3.17Å; F7-F181 HydrophobicContact CD2-CZ 4.33Å; F7-F181 HydrophobicContact CE2-CE1 4.41Å; F7-F181 HydrophobicContact CE2-CZ 4.18Å; F7-S302 WeakPolarHBondContact O-CB 3.4Å; F7-S302 PolarHBondContact O-OG 3.49Å; F7-R305 HydrophobicContact CD1-CB 4.02Å; F7-R305 HydrophobicContact CE1-CB 4.2Å; F7-F306 HydrophobicContact CB-CB 3.98Å; F7-F306 HydrophobicContact CB-CD2 4.35Å; F7-F306 HydrophobicContact CD1-CB 3.87Å; F7-F306 HydrophobicContact CD1-CD2 4.44Å; F7-F306 AromaticContact CD2-CD2 3.7Å; F7-F306 HydrophobicContact CD2-CD2 3.7Å; F7-F306 HydrophobicContact CE2-CD2 4.03Å; F7-F306 HydrophobicContact CG-CB 3.87Å; F7-F306 AromaticContact CG-CD2 3.91Å; F7-F306 HydrophobicContact CG-CD2 3.91Å; F7-F306 HydrophobicContact CG-CG 4.37Å; F7-W309 HydrophobicContact CE1-CB 3.84Å; F7-W309 HydrophobicContact CE1-CG 4.25Å; F7-W309 HydrophobicContact CE2-CD2 4.22Å; F7-W309 HydrophobicContact CE2-CE3 4.23Å; F7-W309 HydrophobicContact CE2-CG 4.43Å; F7-W309 HydrophobicContact CZ-CB 3.68Å; F7-W309 AromaticContact CZ-CD2 3.83Å; F7-W309 HydrophobicContact CZ-CD2 3.83Å; F7-W309 HydrophobicContact CZ-CE3 4.19Å; F7-W309 AromaticContact CZ-CG 3.58Å; F7-W309 HydrophobicContact CZ-CG 3.58Å
8H96.1Very high95.7Very high127 Ų12745.7 Ų45.759%0.58824%0.243SC*.THydrogen-bonded Turntrans55.233.8-170.5-52.8169.2000112.9P4 E5P4-H8 PolarHBondContact O-N 2.59Å; E5-H8 WeakPolarHBondContact O-CA 3.49Å; E5-H8 PolarHBondContact O-N 3.04Å
9V97.1Very high95.6Very high2 Ų251.5 Ų51.51%0.01226%0.261CS..  trans-97.9126.4175.1177.80000108P4 F7 A14 F15 L177P4-V9 CarbonylContact C-O 3.53Å; P4-V9 VanDerWaalsContact C-O 3.3Å; P4-V9 HydrophobicContact CB-CB 4.12Å; P4-V9 HydrophobicContact CB-CG1 4.28Å; P4-V9 WeakPolarHBondContact CB-O 3.19Å; P4-V9 WeakPolarHBondContact O-CB 3.42Å; P4-V9 PolarHBondContact O-N 3.25Å; F7-V9 HydrophobicContact CB-CG2 3.88Å; F7-V9 PolarHBondContact O-N 3.17Å; V9-A14 CarbonylContact C-O 3.42Å; V9-A14 WeakPolarHBondContact CA-O 3.49Å; V9-A14 HydrophobicContact CG1-CB 4.41Å; V9-A14 WeakPolarHBondContact CG1-O 3.36Å; V9-F15 HydrophobicContact CG1-CE1 4.5Å; V9-F15 HydrophobicContact CG2-CD1 3.69Å; V9-F15 HydrophobicContact CG2-CE1 3.57Å; V9-L177 HydrophobicContact CG1-CD1 3.83Å; V9-L177 HydrophobicContact CG1-CD2 3.86Å
10S95.5Very high95.6Very high9 Ų950.2 Ų50.26%0.06326%0.257CS..BIsolated β-bridgetrans-70.8134174.6172.10000110.3T12 L13 A14 E18 L177S10-T12 PolarHBondContact O-N 2.88Å; S10-T12 PolarHBondContact OG-N 3.49Å; S10-T12 PolarHBondContact OG-OG1 2.63Å; S10-L13 PolarHBondContact OG-N 2.9Å; S10-A14 PolarHBondContact N-O 2.91Å; S10-A14 WeakPolarHBondContact O-CA 3.23Å; S10-A14 PolarHBondContact O-N 3.27Å; S10-E18 VanDerWaalsContact CB-OE1 3.29Å; S10-E18 WeakPolarHBondContact CB-OE1 3.27Å; S10-E18 PolarHBondContact OG-OE1 3.38Å; S10-L177 VanDerWaalsContact O-CD1 3.25Å; S10-L177 WeakPolarHBondContact O-CD1 3.41Å
11P94.1Very high95.7Very high63 Ų6350.6 Ų50.641%0.40926%0.259SS..THydrogen-bonded Turntrans-60.2-23.6173.1-25.835.4000114.4E5E5-P11 WeakPolarHBondContact OE1-CG 3.36Å
12T93.5Very high96Very high66 Ų6649.4 Ų49.441%0.40526%0.255SS..THydrogen-bonded Turntrans-112.2-26.2-175.353.90000113.4S10 A174S10-T12 PolarHBondContact O-N 2.88Å; S10-T12 PolarHBondContact OG-N 3.49Å; S10-T12 PolarHBondContact OG-OG1 2.63Å; T12-A174 VanDerWaalsContact C-CB 3.49Å; T12-A174 VanDerWaalsContact O-CB 3.24Å; T12-A174 WeakPolarHBondContact O-CB 3.29Å
13L95.2Very high96.1Very high16 Ų1650.1 Ų50.18%0.08426%0.264CS..THydrogen-bonded Turntrans-115.84.7179.8-55.5-174.4000113.8S10 F15 V16 E18 F141 V171S10-L13 PolarHBondContact OG-N 2.9Å; L13-F15 PolarHBondContact O-N 3.31Å; L13-V16 HydrophobicContact CB-CB 4.05Å; L13-V16 VanDerWaalsContact O-CB 3.26Å; L13-V16 WeakPolarHBondContact O-CB 3.33Å; L13-V16 WeakPolarHBondContact O-CG2 3.44Å; L13-V16 PolarHBondContact O-N 3.04Å; L13-V16 VanDerWaalsContact O-N 3.09Å; L13-E18 HydrophobicContact CD1-CG 4.09Å; L13-F141 HydrophobicContact CD2-CD2 4.36Å; L13-V171 HydrophobicContact CD2-CG1 3.78Å; L13-V171 HydrophobicContact CD2-CG2 4.08Å
14A96.8Very high96.2Very high0 Ų047.9 Ų47.90%025%0.249CC..BIsolated β-bridgetrans51.2-119.2-17700000113.4V9 S10 V16 F173 A174 L177V9-A14 CarbonylContact C-O 3.42Å; V9-A14 WeakPolarHBondContact CA-O 3.49Å; V9-A14 HydrophobicContact CG1-CB 4.41Å; V9-A14 WeakPolarHBondContact CG1-O 3.36Å; S10-A14 PolarHBondContact N-O 2.91Å; S10-A14 WeakPolarHBondContact O-CA 3.23Å; S10-A14 PolarHBondContact O-N 3.27Å; A14-V16 VanDerWaalsContact C-N 3.27Å; A14-V16 PolarHBondContact O-N 3.15Å; A14-F173 HydrophobicContact CB-CD1 3.75Å; A14-A174 HydrophobicContact CB-CB 4.05Å; A14-L177 HydrophobicContact CB-CD1 4.4Å
15F98Very high96.3Very high3 Ų349.3 Ų49.31%0.01326%0.259CS..THydrogen-bonded Turntrans-82.8-3.1-175.6-56.6-68.1000113.7V9 L13 L125 F173 C271 H303 F306V9-F15 HydrophobicContact CG1-CE1 4.5Å; V9-F15 HydrophobicContact CG2-CD1 3.69Å; V9-F15 HydrophobicContact CG2-CE1 3.57Å; L13-F15 PolarHBondContact O-N 3.31Å; F15-L125 HydrophobicContact CB-CD1 3.94Å; F15-F173 HydrophobicContact CD2-CD1 4.11Å; F15-F173 HydrophobicContact CD2-CE1 4.19Å; F15-F173 AromaticContact CE2-CD1 3.64Å; F15-F173 HydrophobicContact CE2-CD1 3.64Å; F15-F173 AromaticContact CE2-CE1 3.3Å; F15-F173 HydrophobicContact CE2-CE1 3.3Å; F15-F173 HydrophobicContact CE2-CZ 4.06Å; F15-F173 AromaticContact CZ-CE1 3.8Å; F15-F173 HydrophobicContact CZ-CE1 3.8Å; F15-F173 HydrophobicContact CZ-CZ 4.44Å; F15-C271 HydrophobicContact CD1-CB 4.05Å; F15-C271 HydrophobicContact CD2-CB 3.75Å; F15-C271 HydrophobicContact CE1-CB 3.77Å; F15-C271 HydrophobicContact CE2-CB 3.44Å; F15-C271 VanDerWaalsContact CE2-CB 3.44Å; F15-C271 HydrophobicContact CG-CB 4.03Å; F15-C271 HydrophobicContact CZ-CB 3.46Å; F15-C271 VanDerWaalsContact CZ-CB 3.46Å; F15-H303 HydrophobicContact CD1-CB 3.96Å; F15-H303 AromaticContact CD1-CD2 3.87Å; F15-H303 AromaticContact CD1-CE1 3.95Å; F15-H303 AromaticContact CD1-CG 3.59Å; F15-H303 AromaticContact CD1-ND1 3.63Å; F15-H303 HydrophobicContact CE1-CB 4.12Å; F15-H303 PolarHBondContact O-CE1 3.06Å; F15-F306 AromaticContact CE1-CD1 3.76Å; F15-F306 HydrophobicContact CE1-CD1 3.76Å; F15-F306 HydrophobicContact CE1-CE1 4.32Å; F15-F306 HydrophobicContact CE1-CG 4.37Å; F15-F306 AromaticContact CZ-CD1 3.54Å; F15-F306 HydrophobicContact CZ-CD1 3.54Å; F15-F306 AromaticContact CZ-CE1 3.76Å; F15-F306 HydrophobicContact CZ-CE1 3.76Å
16V97.7Very high96.3Very high5 Ų549 Ų493%0.0327%0.267CS..SBendtrans-74.1138.7179.5176.80000109.8L13 A14 E18 L125 Y128 L167 E170 V171L13-V16 HydrophobicContact CB-CB 4.05Å; L13-V16 VanDerWaalsContact O-CB 3.26Å; L13-V16 WeakPolarHBondContact O-CB 3.33Å; L13-V16 WeakPolarHBondContact O-CG2 3.44Å; L13-V16 PolarHBondContact O-N 3.04Å; L13-V16 VanDerWaalsContact O-N 3.09Å; A14-V16 VanDerWaalsContact C-N 3.27Å; A14-V16 PolarHBondContact O-N 3.15Å; V16-E18 PolarHBondContact O-N 3.43Å; V16-L125 HydrophobicContact CG2-CD2 4.01Å; V16-Y128 HydrophobicContact CG1-CD1 4.27Å; V16-Y128 HydrophobicContact CG1-CE1 3.52Å; V16-L167 HydrophobicContact CB-CD1 4.13Å; V16-L167 HydrophobicContact CG1-CD1 3.59Å; V16-L167 HydrophobicContact CG2-CD1 3.37Å; V16-E170 HydrophobicContact CG2-CB 4.12Å; V16-V171 HydrophobicContact CG2-CG2 3.89Å
17L96.9Very high96.3Very high18 Ų1849.7 Ų49.79%0.09426%0.264CS..  trans-69.3111.3177.1-178.763.9000110.4R19 P20 K67 R70 L125 A126 Y128L17-R19 PolarHBondContact O-N 3.1Å; L17-P20 HydrophobicContact CD2-CB 4.12Å; L17-P20 WeakPolarHBondContact O-CD 3.44Å; L17-K67 HydrophobicContact CD1-CG 4.25Å; L17-R70 HydrophobicContact CD2-CB 3.68Å; L17-R70 HydrophobicContact CD2-CG 3.99Å; L17-L125 PolarHBondContact N-O 3.33Å; L17-A126 HydrophobicContact CB-CB 4.12Å; L17-A126 HydrophobicContact CD2-CB 4.02Å; L17-Y128 WeakPolarHBondContact O-CE1 3.4Å; L17-Y128 PolarHBondContact O-OH 3.37Å
18E93.8Very high96.4Very high57 Ų5749 Ų4927%0.26626%0.26SS..SBendtrans-62.5134.3175-59.1-165.7166.100112.3S10 L13 V16 K67S10-E18 VanDerWaalsContact CB-OE1 3.29Å; S10-E18 WeakPolarHBondContact CB-OE1 3.27Å; S10-E18 PolarHBondContact OG-OE1 3.38Å; L13-E18 HydrophobicContact CD1-CG 4.09Å; V16-E18 PolarHBondContact O-N 3.43Å; E18-K67 VanDerWaalsContact O-CE 3.23Å; E18-K67 WeakPolarHBondContact O-CE 3.3Å; E18-K67 PolarHBondContact O-NZ 3.18Å
19R92.9Very high96.5Very high155 Ų15547 Ų4759%0.58525%0.254SS*.SBendtrans48.462.4174-60.2179.4-64.8-69.2-2.1110.4L17 K67L17-R19 PolarHBondContact O-N 3.1Å; R19-K67 PolarHBondContact O-NZ 3.37Å
20P96.6Very high96.5Very high26 Ų2648.3 Ų48.317%0.16926%0.263CS..  trans-58.5148.2177.228.9-35.6000109.6L17 Y128 L149L17-P20 HydrophobicContact CD2-CB 4.12Å; L17-P20 WeakPolarHBondContact O-CD 3.44Å; P20-Y128 HydrophobicContact CG-CD1 3.9Å; P20-Y128 HydrophobicContact CG-CE1 3.69Å; P20-Y128 HydrophobicContact CG-CG 4.46Å; P20-Y128 WeakPolarHBondContact CG-O 3.39Å; P20-L149 HydrophobicContact CB-CD1 3.97Å; P20-L149 HydrophobicContact CG-CD1 4.07Å
21L97.7Very high96.7Very high58 Ų5847.9 Ų47.930%0.30426%0.26SS..  trans-74.9151.8174.8-64174.7000109.6K67 Q68 L71L21-K67 HydrophobicContact CD1-CB 3.76Å; L21-K67 HydrophobicContact CG-CB 3.9Å; L21-K67 HydrophobicContact CG-CD 4.46Å; L21-Q68 HydrophobicContact CD1-CG 3.64Å; L21-L71 HydrophobicContact CB-CD2 3.93Å; L21-L71 WeakPolarHBondContact O-CD1 3.4Å; L21-L71 WeakPolarHBondContact O-CD2 3.32Å
22D96.3Very high96.8Very high105 Ų10547.8 Ų47.856%0.56125%0.254SS*.SBendtrans-108.5-8.7173.962.8-9.5000113.4K32 L149D22-K32 WeakPolarHBondContact O-CE 3.42Å; D22-L149 HydrophobicContact CB-CD2 3.75Å
23A96.7Very high97.1Very high47 Ų4751.1 Ų51.139%0.38826%0.26SS..  trans-138.2147.1177.400000112.4L71A23-L71 VanDerWaalsContact C-CD2 3.44Å; A23-L71 WeakPolarHBondContact O-CD2 3.31Å
24L98.1Very high97.2Very high16 Ų1650.5 Ų50.58%0.08426%0.257CS..  trans-101.8168.3166.6-68-178.9000109.3Y28 W31 L62 Q68 L71 A72 Q75L24-Y28 HydrophobicContact CB-CD2 4.11Å; L24-Y28 HydrophobicContact CB-CG 4.36Å; L24-Y28 HydrophobicContact CD1-CD2 4.43Å; L24-Y28 HydrophobicContact CD1-CG 4.15Å; L24-W31 HydrophobicContact CD1-CE3 4.16Å; L24-W31 HydrophobicContact CD1-CZ3 4.48Å; L24-L62 HydrophobicContact CD2-CD2 3.96Å; L24-Q68 HydrophobicContact CD2-CB 3.95Å; L24-Q68 HydrophobicContact CD2-CG 4.14Å; L24-L71 HydrophobicContact CD2-CB 4.11Å; L24-L71 HydrophobicContact CD2-CD2 3.88Å; L24-L71 HydrophobicContact CD2-CG 4.15Å; L24-L71 HydrophobicContact CG-CD2 3.83Å; L24-L71 HydrophobicContact CG-CG 4.14Å; L24-A72 HydrophobicContact CD1-CB 3.76Å; L24-A72 HydrophobicContact CD2-CB 4.48Å; L24-Q75 VanDerWaalsContact CD1-OE1 3.25Å
25P97.4Very high97.3Very high52 Ų5250.5 Ų50.534%0.33826%0.257SS..  trans-51.7145.3166.3-25.634.9000111.4Y27 Y28P25-Y27 PolarHBondContact O-N 3.3Å; P25-Y28 HydrophobicContact CB-CD2 4.26Å; P25-Y28 HydrophobicContact CG-CD2 4.44Å; P25-Y28 HydrophobicContact CG-CE2 4.5Å; P25-Y28 WeakPolarHBondContact O-CD2 3.48Å; P25-Y28 PolarHBondContact O-N 3.27Å
26S97Very high97.3Very high91 Ų9153.4 Ų53.464%0.63627%0.273SS*.G310 helixtrans-56.9-22-172.654.70000115Y28 D29S26-Y28 PolarHBondContact O-N 2.93Å; S26-D29 WeakPolarHBondContact CA-OD1 3.34Å; S26-D29 WeakPolarHBondContact CA-OD2 3.47Å; S26-D29 WeakPolarHBondContact CB-OD2 3.45Å; S26-D29 VanDerWaalsContact O-CB 3.29Å; S26-D29 WeakPolarHBondContact O-CB 3.33Å; S26-D29 PolarHBondContact O-N 3.16Å
27Y98Very high97.3Very high110 Ų11055.4 Ų55.443%0.43128%0.283SS..G310 helixtrans-52.2-28.1169.9-178.6-101.3000113.1P25 L57 H58P25-Y27 PolarHBondContact O-N 3.3Å; Y27-L57 HydrophobicContact CE1-CB 3.94Å; Y27-L57 HydrophobicContact CE1-CD2 3.94Å; Y27-L57 HydrophobicContact CE1-CG 4.38Å; Y27-L57 HydrophobicContact CE2-CD2 4.25Å; Y27-L57 WeakPolarHBondContact O-CD1 3.47Å; Y27-H58 PolarHBondContact OH-N 3.4Å
28Y98.3Very high97.4Very high2 Ų254.7 Ų54.71%0.00828%0.279CS..G310 helixtrans-100.612.5-179.9-55.3-73.7000114L24 P25 S26 S30 W31 K32 L57 H58 C61 L62L24-Y28 HydrophobicContact CB-CD2 4.11Å; L24-Y28 HydrophobicContact CB-CG 4.36Å; L24-Y28 HydrophobicContact CD1-CD2 4.43Å; L24-Y28 HydrophobicContact CD1-CG 4.15Å; P25-Y28 HydrophobicContact CB-CD2 4.26Å; P25-Y28 HydrophobicContact CG-CD2 4.44Å; P25-Y28 HydrophobicContact CG-CE2 4.5Å; P25-Y28 WeakPolarHBondContact O-CD2 3.48Å; P25-Y28 PolarHBondContact O-N 3.27Å; S26-Y28 PolarHBondContact O-N 2.93Å; Y28-S30 PolarHBondContact O-N 3.31Å; Y28-S30 VanDerWaalsContact O-N 3.12Å; Y28-W31 HydrophobicContact CD1-CD2 4.16Å; Y28-W31 AromaticContact CD1-CE3 3.54Å; Y28-W31 HydrophobicContact CD1-CE3 3.54Å; Y28-W31 AromaticContact CD1-CH2 3.48Å; Y28-W31 HydrophobicContact CD1-CH2 3.48Å; Y28-W31 VanDerWaalsContact CD1-CH2 3.48Å; Y28-W31 HydrophobicContact CD1-CZ2 4.12Å; Y28-W31 AromaticContact CD1-CZ3 3.16Å; Y28-W31 HydrophobicContact CD1-CZ3 3.16Å; Y28-W31 HydrophobicContact CE1-CE3 4.41Å; Y28-W31 AromaticContact CE1-CH2 3.58Å; Y28-W31 HydrophobicContact CE1-CH2 3.58Å; Y28-W31 HydrophobicContact CE1-CZ2 4.39Å; Y28-W31 AromaticContact CE1-CZ3 3.6Å; Y28-W31 HydrophobicContact CE1-CZ3 3.6Å; Y28-W31 HydrophobicContact CG-CE3 4.06Å; Y28-W31 AromaticContact CG-CZ3 3.97Å; Y28-W31 HydrophobicContact CG-CZ3 3.97Å; Y28-W31 PolarHBondContact O-N 3.09Å; Y28-K32 PolarHBondContact O-N 3.44Å; Y28-L57 HydrophobicContact CD1-CB 4.39Å; Y28-L57 HydrophobicContact CD1-CD1 3.87Å; Y28-L57 HydrophobicContact CE1-CB 4.38Å; Y28-H58 WeakPolarHBondContact CE1-O 3.26Å; Y28-H58 PolarHBondContact OH-O 3.39Å; Y28-C61 HydrophobicContact CE2-CB 4.43Å; Y28-L62 HydrophobicContact CD1-CD1 4.44Å; Y28-L62 HydrophobicContact CD2-CD2 3.95Å; Y28-L62 HydrophobicContact CD2-CG 4.45Å; Y28-L62 HydrophobicContact CE1-CD1 3.89Å; Y28-L62 HydrophobicContact CE1-CG 4.31Å; Y28-L62 HydrophobicContact CE2-CD1 4.02Å; Y28-L62 HydrophobicContact CE2-CD2 3.47Å; Y28-L62 VanDerWaalsContact CE2-CD2 3.47Å; Y28-L62 HydrophobicContact CE2-CG 3.65Å
29D98.1Very high97.5Very high86 Ų8655.4 Ų55.446%0.4628%0.28SS..Hα-helixtrans-57.9-29.9-176.7-79.3-19.3000112.9S26 W31 K32 Y33S26-D29 WeakPolarHBondContact CA-OD1 3.34Å; S26-D29 WeakPolarHBondContact CA-OD2 3.47Å; S26-D29 WeakPolarHBondContact CB-OD2 3.45Å; S26-D29 VanDerWaalsContact O-CB 3.29Å; S26-D29 WeakPolarHBondContact O-CB 3.33Å; S26-D29 PolarHBondContact O-N 3.16Å; D29-W31 PolarHBondContact O-N 3.09Å; D29-K32 PolarHBondContact O-N 2.83Å; D29-Y33 VanDerWaalsContact O-CB 3.26Å; D29-Y33 WeakPolarHBondContact O-CB 3.39Å; D29-Y33 PolarHBondContact O-N 3.12Å
30S98.2Very high97.7Very high29 Ų2953.4 Ų53.420%0.20328%0.275CS..Hα-helixtrans-62.4-40.8177640000112.1Y28 C34 L57Y28-S30 PolarHBondContact O-N 3.31Å; Y28-S30 VanDerWaalsContact O-N 3.12Å; S30-C34 VanDerWaalsContact O-CB 3.3Å; S30-C34 WeakPolarHBondContact O-CB 3.34Å; S30-C34 PolarHBondContact O-N 3.36Å; S30-C34 PolarHBondContact O-SG 3.37Å; S30-L57 WeakPolarHBondContact OG-CD1 3.48Å
31W98.5Very high97.7Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-65.4-44.6175.1-63.7-16.1000111.9L24 Y28 D29 C34 A35 L57 T59 L62 A72 Q75 L76 P103 I107L24-W31 HydrophobicContact CD1-CE3 4.16Å; L24-W31 HydrophobicContact CD1-CZ3 4.48Å; Y28-W31 HydrophobicContact CD1-CD2 4.16Å; Y28-W31 AromaticContact CD1-CE3 3.54Å; Y28-W31 HydrophobicContact CD1-CE3 3.54Å; Y28-W31 AromaticContact CD1-CH2 3.48Å; Y28-W31 HydrophobicContact CD1-CH2 3.48Å; Y28-W31 VanDerWaalsContact CD1-CH2 3.48Å; Y28-W31 HydrophobicContact CD1-CZ2 4.12Å; Y28-W31 AromaticContact CD1-CZ3 3.16Å; Y28-W31 HydrophobicContact CD1-CZ3 3.16Å; Y28-W31 HydrophobicContact CE1-CE3 4.41Å; Y28-W31 AromaticContact CE1-CH2 3.58Å; Y28-W31 HydrophobicContact CE1-CH2 3.58Å; Y28-W31 HydrophobicContact CE1-CZ2 4.39Å; Y28-W31 AromaticContact CE1-CZ3 3.6Å; Y28-W31 HydrophobicContact CE1-CZ3 3.6Å; Y28-W31 HydrophobicContact CG-CE3 4.06Å; Y28-W31 AromaticContact CG-CZ3 3.97Å; Y28-W31 HydrophobicContact CG-CZ3 3.97Å; Y28-W31 PolarHBondContact O-N 3.09Å; D29-W31 PolarHBondContact O-N 3.09Å; W31-C34 PolarHBondContact O-N 2.95Å; W31-A35 WeakPolarHBondContact O-CB 3.33Å; W31-A35 PolarHBondContact O-N 3.48Å; W31-L57 HydrophobicContact CD2-CD1 4.19Å; W31-L57 HydrophobicContact CG-CD1 4.44Å; W31-L57 HydrophobicContact CH2-CB 4.31Å; W31-L57 HydrophobicContact CZ2-CB 3.63Å; W31-L57 HydrophobicContact CZ2-CD1 4.13Å; W31-L57 HydrophobicContact CZ2-CG 4.37Å; W31-T59 HydrophobicContact CH2-CG2 4.16Å; W31-L62 HydrophobicContact CZ3-CD1 4.04Å; W31-A72 HydrophobicContact CE3-CB 4.49Å; W31-A72 HydrophobicContact CZ3-CB 4.07Å; W31-Q75 HydrophobicContact CB-CB 4.39Å; W31-L76 HydrophobicContact CD2-CD2 4.09Å; W31-L76 HydrophobicContact CD2-CG 4.26Å; W31-L76 HydrophobicContact CE3-CD1 4.4Å; W31-L76 HydrophobicContact CE3-CG 4.39Å; W31-L76 HydrophobicContact CG-CD2 4.32Å; W31-L76 HydrophobicContact CH2-CD1 4.03Å; W31-L76 HydrophobicContact CZ2-CD1 4.15Å; W31-L76 HydrophobicContact CZ2-CD2 4.22Å; W31-L76 HydrophobicContact CZ3-CD1 4.14Å; W31-P103 HydrophobicContact CH2-CB 3.88Å; W31-P103 HydrophobicContact CZ2-CB 3.59Å; W31-P103 HydrophobicContact CZ2-CG 3.87Å; W31-I107 HydrophobicContact CH2-CD1 4.21Å; W31-I107 HydrophobicContact CZ3-CD1 4.24Å
32K98Very high97.7Very high61 Ų6151.4 Ų51.427%0.26526%0.262SS..Hα-helixtrans-62.5-51.2178.5-174.9-175.8-173.5-58.30111D22 Y28 D29 C34 A35 D36D22-K32 WeakPolarHBondContact O-CE 3.42Å; Y28-K32 PolarHBondContact O-N 3.44Å; D29-K32 PolarHBondContact O-N 2.83Å; K32-C34 PolarHBondContact O-N 2.69Å; K32-A35 PolarHBondContact O-N 3.37Å; K32-A35 VanDerWaalsContact O-N 3.14Å; K32-D36 IonicContact NZ-OD2 3.98Å; K32-D36 PolarHBondContact NZ-OD2 3.37Å; K32-D36 WeakPolarHBondContact O-CB 3.37Å; K32-D36 PolarHBondContact O-N 2.89Å
33Y98.2Very high97.7Very high137 Ų13751.5 Ų51.554%0.53727%0.267SS..Hα-helixtrans-53.3-41.4176.1-179.1-102.6000110.4D29 N37 W41D29-Y33 VanDerWaalsContact O-CB 3.26Å; D29-Y33 WeakPolarHBondContact O-CB 3.39Å; D29-Y33 PolarHBondContact O-N 3.12Å; Y33-N37 WeakPolarHBondContact O-CB 3.35Å; Y33-N37 PolarHBondContact O-N 3.15Å; Y33-N37 VanDerWaalsContact O-N 3.17Å; Y33-N37 PolarHBondContact O-ND2 3.33Å; Y33-W41 HydrophobicContact CD1-CH2 4.02Å; Y33-W41 HydrophobicContact CD1-CZ2 4.03Å; Y33-W41 HydrophobicContact CE1-CH2 4.15Å; Y33-W41 AromaticContact CE1-CZ2 3.68Å; Y33-W41 HydrophobicContact CE1-CZ2 3.68Å
34C98.5Very high97.7Very high3 Ų354 Ų542%0.0227%0.273CS..Hα-helixtrans-66.1-46.3176.3-73.30000115.7S30 W31 K32 D36 N37 V38 W41 L51 L79S30-C34 VanDerWaalsContact O-CB 3.3Å; S30-C34 WeakPolarHBondContact O-CB 3.34Å; S30-C34 PolarHBondContact O-N 3.36Å; S30-C34 PolarHBondContact O-SG 3.37Å; W31-C34 PolarHBondContact O-N 2.95Å; K32-C34 PolarHBondContact O-N 2.69Å; C34-D36 VanDerWaalsContact C-N 3.31Å; C34-D36 PolarHBondContact O-N 2.81Å; C34-N37 PolarHBondContact O-N 3.44Å; C34-V38 PolarHBondContact O-N 3.31Å; C34-W41 HydrophobicContact CB-CH2 3.64Å; C34-W41 HydrophobicContact CB-CZ3 3.39Å; C34-W41 WeakPolarHBondContact O-CZ3 3.34Å; C34-W41 WeakPolarHBondContact SG-CH2 3.36Å; C34-W41 WeakPolarHBondContact SG-CZ3 3.22Å; C34-L51 HydrophobicContact CB-CD2 4.03Å; C34-L79 HydrophobicContact CB-CD1 3.7Å; C34-L79 HydrophobicContact CB-CD2 3.61Å; C34-L79 HydrophobicContact CB-CG 4.3Å
35A98.3Very high97.5Very high0 Ų055.8 Ų55.80%030%0.296CS..Hα-helixtrans-68.7-34-179.300000111.7W31 K32 V38 Q75 L79 H150W31-A35 WeakPolarHBondContact O-CB 3.33Å; W31-A35 PolarHBondContact O-N 3.48Å; K32-A35 PolarHBondContact O-N 3.37Å; K32-A35 VanDerWaalsContact O-N 3.14Å; A35-V38 WeakPolarHBondContact O-CG1 3.47Å; A35-Q75 HydrophobicContact CB-CB 4.25Å; A35-Q75 HydrophobicContact CB-CG 4.12Å; A35-L79 HydrophobicContact CB-CD2 4.37Å; A35-H150 HydrophobicContact CB-CB 4.27Å; A35-H150 WeakPolarHBondContact CB-ND1 3.5Å
36D98Very high97.5Very high64 Ų6456 Ų5634%0.34230%0.296SS..Hα-helixtrans-71.2-33177.8-73.4-18.7000113K32 C34 H150K32-D36 IonicContact NZ-OD2 3.98Å; K32-D36 PolarHBondContact NZ-OD2 3.37Å; K32-D36 WeakPolarHBondContact O-CB 3.37Å; K32-D36 PolarHBondContact O-N 2.89Å; C34-D36 VanDerWaalsContact C-N 3.31Å; C34-D36 PolarHBondContact O-N 2.81Å; D36-H150 IonicContact OD1-CE1 3.76Å; D36-H150 PolarHBondContact OD1-CE1 2.88Å; D36-H150 IonicContact OD1-ND1 3.56Å; D36-H150 PolarHBondContact OD1-ND1 3.05Å
37N98.1Very high97.6Very high47 Ų4751.8 Ų51.825%0.25127%0.266SS..THydrogen-bonded Turntrans-102.29.3-177.7-67.2-86.3000113.4Y33 C34 R39 K40 W41Y33-N37 WeakPolarHBondContact O-CB 3.35Å; Y33-N37 PolarHBondContact O-N 3.15Å; Y33-N37 VanDerWaalsContact O-N 3.17Å; Y33-N37 PolarHBondContact O-ND2 3.33Å; C34-N37 PolarHBondContact O-N 3.44Å; N37-R39 VanDerWaalsContact C-N 3.28Å; N37-R39 PolarHBondContact O-N 2.99Å; N37-K40 WeakPolarHBondContact O-CB 3.47Å; N37-K40 PolarHBondContact O-N 3.14Å; N37-W41 HydrophobicContact CB-CD2 4.29Å; N37-W41 HydrophobicContact CB-CH2 4.17Å; N37-W41 HydrophobicContact CB-CZ2 3.65Å; N37-W41 PolarHBondContact O-N 2.94Å
38V98.3Very high97.6Very high2 Ų248.2 Ų48.21%0.01225%0.252CS..Hα-helixtrans-54.5-42.5-173.869.10000112.8C34 A35 K40 W41 L42 I47 T78 A82 K152 L153C34-V38 PolarHBondContact O-N 3.31Å; A35-V38 WeakPolarHBondContact O-CG1 3.47Å; V38-K40 PolarHBondContact O-N 3.48Å; V38-W41 PolarHBondContact O-N 3.27Å; V38-L42 HydrophobicContact CG2-CD1 4.1Å; V38-L42 HydrophobicContact CG2-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.41Å; V38-I47 HydrophobicContact CG2-CD1 4.11Å; V38-T78 HydrophobicContact CB-CG2 4.41Å; V38-T78 HydrophobicContact CG1-CG2 4.04Å; V38-T78 HydrophobicContact CG2-CG2 4.35Å; V38-A82 HydrophobicContact CG2-CB 3.44Å; V38-A82 VanDerWaalsContact CG2-CB 3.44Å; V38-K152 WeakPolarHBondContact CG1-O 3.46Å; V38-L153 HydrophobicContact CG1-CD2 4.09Å; V38-L153 HydrophobicContact CG2-CD2 3.89Å
39R96.7Very high97.5Very high73 Ų7352.1 Ų52.128%0.27528%0.278SS..Hα-helixtrans-56.3-50177.1-177.6-172.6-65.3172.82.8111.6N37 W41 L42 T43 L154 D155N37-R39 VanDerWaalsContact C-N 3.28Å; N37-R39 PolarHBondContact O-N 2.99Å; R39-W41 PolarHBondContact O-N 3.03Å; R39-L42 PolarHBondContact O-N 3.15Å; R39-T43 PolarHBondContact O-N 3.49Å; R39-T43 PolarHBondContact O-OG1 3.2Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å; R39-L154 PolarHBondContact NE-O 2.73Å; R39-L154 PolarHBondContact NH2-O 3.12Å; R39-D155 IonicContact CZ-OD1 2.72Å; R39-D155 IonicContact NE-OD1 3.67Å; R39-D155 IonicContact NH1-OD1 3.33Å; R39-D155 PolarHBondContact NH1-OD1 2.9Å
40K97.2Very high97.6Very high112 Ų11249.8 Ų49.849%0.48727%0.267SS..Hα-helixtrans-55.3-40.1179.8177.2-176.2174.8-178.70111.3N37 V38 N44N37-K40 WeakPolarHBondContact O-CB 3.47Å; N37-K40 PolarHBondContact O-N 3.14Å; V38-K40 PolarHBondContact O-N 3.48Å; K40-N44 VanDerWaalsContact O-CB 3.27Å; K40-N44 WeakPolarHBondContact O-CB 3.48Å; K40-N44 PolarHBondContact O-N 3.33Å; K40-N44 PolarHBondContact O-ND2 2.89Å; K40-N44 PolarHBondContact O-OD1 2.68Å
41W97.2Very high97.6Very high15 Ų1548.4 Ų48.46%0.05726%0.257CS..Hα-helixtrans-81.2-30.2-177.2-54-37.8000114.1Y33 C34 N37 V38 R39 G45 T46 I47 T50 L51Y33-W41 HydrophobicContact CD1-CH2 4.02Å; Y33-W41 HydrophobicContact CD1-CZ2 4.03Å; Y33-W41 HydrophobicContact CE1-CH2 4.15Å; Y33-W41 AromaticContact CE1-CZ2 3.68Å; Y33-W41 HydrophobicContact CE1-CZ2 3.68Å; C34-W41 HydrophobicContact CB-CH2 3.64Å; C34-W41 HydrophobicContact CB-CZ3 3.39Å; C34-W41 WeakPolarHBondContact O-CZ3 3.34Å; C34-W41 WeakPolarHBondContact SG-CH2 3.36Å; C34-W41 WeakPolarHBondContact SG-CZ3 3.22Å; N37-W41 HydrophobicContact CB-CD2 4.29Å; N37-W41 HydrophobicContact CB-CH2 4.17Å; N37-W41 HydrophobicContact CB-CZ2 3.65Å; N37-W41 PolarHBondContact O-N 2.94Å; V38-W41 PolarHBondContact O-N 3.27Å; R39-W41 PolarHBondContact O-N 3.03Å; W41-G45 PolarHBondContact O-N 3.46Å; W41-G45 VanDerWaalsContact O-N 3.08Å; W41-T46 PolarHBondContact O-N 3.41Å; W41-I47 HydrophobicContact CB-CB 4.01Å; W41-I47 HydrophobicContact CB-CD1 3.93Å; W41-I47 HydrophobicContact CE3-CD1 3.73Å; W41-I47 PolarHBondContact O-N 3.47Å; W41-T50 HydrophobicContact CD2-CG2 4.05Å; W41-T50 HydrophobicContact CE3-CG2 4.07Å; W41-T50 HydrophobicContact CH2-CG2 3.68Å; W41-T50 HydrophobicContact CZ2-CG2 3.84Å; W41-T50 HydrophobicContact CZ3-CG2 3.84Å; W41-L51 HydrophobicContact CZ3-CD2 4.33Å
42L97Very high97.6Very high27 Ų2753 Ų5314%0.14128%0.279CS..Hα-helixtrans-62.2-52.7168.2-72.4168.2000109.9V38 R39 N44 G45 I47 A82 C86 L153 F232V38-L42 HydrophobicContact CG2-CD1 4.1Å; V38-L42 HydrophobicContact CG2-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.43Å; V38-L42 PolarHBondContact O-N 3.41Å; R39-L42 PolarHBondContact O-N 3.15Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 3.08Å; L42-G45 PolarHBondContact O-N 3.22Å; L42-G45 VanDerWaalsContact O-N 3.08Å; L42-I47 HydrophobicContact CD2-CG1 4.48Å; L42-I47 HydrophobicContact CD2-CG2 4.26Å; L42-A82 HydrophobicContact CD1-CB 4.41Å; L42-A82 HydrophobicContact CD2-CB 4.28Å; L42-C86 HydrophobicContact CD2-CB 3.57Å; L42-L153 HydrophobicContact CD1-CB 4.16Å; L42-L153 HydrophobicContact CD1-CD2 3.94Å; L42-L153 WeakPolarHBondContact CD1-O 3.38Å; L42-F232 HydrophobicContact CD1-CE1 4.27Å; L42-F232 HydrophobicContact CD1-CZ 4.07Å; L42-F232 HydrophobicContact CD2-CE1 4.06Å; L42-F232 HydrophobicContact CD2-CZ 4.1Å
43T95.7Very high97.5Very high108 Ų10854.5 Ų54.566%0.66330%0.296SS*.Hα-helixtrans-58.5-39.5178.2-55.60000112.4R39 G45R39-T43 PolarHBondContact O-N 3.49Å; R39-T43 PolarHBondContact O-OG1 3.2Å; R39-T43 VanDerWaalsContact O-OG1 3.07Å; T43-G45 VanDerWaalsContact C-N 3.33Å
44N96.1Very high97.5Very high98 Ų9848.9 Ų48.952%0.52428%0.276SS..THydrogen-bonded Turntrans-83.9-3.1-179.5-68.1-3.6000113.9K40 L42 T46K40-N44 VanDerWaalsContact O-CB 3.27Å; K40-N44 WeakPolarHBondContact O-CB 3.48Å; K40-N44 PolarHBondContact O-N 3.33Å; K40-N44 PolarHBondContact O-ND2 2.89Å; K40-N44 PolarHBondContact O-OD1 2.68Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 3.08Å; N44-T46 HydrophobicContact CB-CG2 4.31Å; N44-T46 PolarHBondContact O-N 2.96Å
45G95.5Very high97.5Very high54 Ų5452.1 Ų52.156%0.55730%0.296SS*.THydrogen-bonded Turntrans63.223.1-175.200000114.5W41 L42 T43W41-G45 PolarHBondContact O-N 3.46Å; W41-G45 VanDerWaalsContact O-N 3.08Å; L42-G45 PolarHBondContact O-N 3.22Å; L42-G45 VanDerWaalsContact O-N 3.08Å; T43-G45 VanDerWaalsContact C-N 3.33Å
46T97.4Very high97.5Very high57 Ų5756 Ų5635%0.3532%0.317SS..  trans-108.54-173.6470000113.6W41 N44 R48 P49 T50W41-T46 PolarHBondContact O-N 3.41Å; N44-T46 HydrophobicContact CB-CG2 4.31Å; N44-T46 PolarHBondContact O-N 2.96Å; T46-R48 PolarHBondContact O-N 2.6Å; T46-P49 WeakPolarHBondContact O-CD 3.37Å; T46-T50 VanDerWaalsContact O-CB 3.27Å; T46-T50 WeakPolarHBondContact O-CB 3.34Å; T46-T50 PolarHBondContact O-N 3.46Å; T46-T50 VanDerWaalsContact O-N 3.11Å; T46-T50 PolarHBondContact O-OG1 3.48Å
47I97.9Very high97.5Very high2 Ų253.5 Ų53.51%0.0130%0.303CS..Hα-helixtrans-59.6-47-174.2-173.966.2000113.5V38 W41 L42 T50 L51 A82 C86V38-I47 HydrophobicContact CG2-CD1 4.11Å; W41-I47 HydrophobicContact CB-CB 4.01Å; W41-I47 HydrophobicContact CB-CD1 3.93Å; W41-I47 HydrophobicContact CE3-CD1 3.73Å; W41-I47 PolarHBondContact O-N 3.47Å; L42-I47 HydrophobicContact CD2-CG1 4.48Å; L42-I47 HydrophobicContact CD2-CG2 4.26Å; I47-T50 PolarHBondContact O-N 3.35Å; I47-L51 HydrophobicContact CD1-CD1 3.67Å; I47-L51 HydrophobicContact CD1-CD2 4.36Å; I47-L51 HydrophobicContact CD1-CG 3.89Å; I47-L51 HydrophobicContact CG1-CD1 3.81Å; I47-L51 HydrophobicContact CG1-CG 4.25Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.17Å; I47-L51 PolarHBondContact O-N 3.08Å; I47-A82 HydrophobicContact CD1-CB 4.24Å; I47-A82 HydrophobicContact CG1-CB 4.18Å; I47-C86 HydrophobicContact CG2-CB 3.29Å
48R98Very high97.5Very high36 Ų3656.4 Ų56.414%0.13632%0.315CS..Hα-helixtrans-65.4-53.4-177.7-67.3-172.7-176.4143.59.6113T46 T50 L51 E52 Y83 C86 D91T46-R48 PolarHBondContact O-N 2.6Å; R48-T50 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-L51 VanDerWaalsContact O-N 3.17Å; R48-E52 WeakPolarHBondContact O-CB 3.12Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.34Å; R48-E52 PolarHBondContact O-N 2.84Å; R48-Y83 HydrophobicContact CB-CD2 4.25Å; R48-Y83 HydrophobicContact CB-CE2 3.81Å; R48-Y83 HydrophobicContact CG-CD2 3.81Å; R48-Y83 HydrophobicContact CG-CE2 3.62Å; R48-Y83 HydrophobicContact CG-CG 4.45Å; R48-Y83 PolarHBondContact NE-O 3.25Å; R48-C86 PolarHBondContact NH2-SG 3.46Å; R48-C86 VanDerWaalsContact NH2-SG 3.45Å; R48-D91 IonicContact CZ-OD2 2.69Å; R48-D91 IonicContact NH1-OD1 2.81Å; R48-D91 IonicContact NH1-OD2 3.78Å; R48-D91 PolarHBondContact NH1-OD2 2.77Å; R48-D91 PolarHBondContact NH2-O 2.87Å; R48-D91 IonicContact NH2-OD2 3.49Å
49P97.7Very high97.4Very high84 Ų8456.3 Ų56.355%0.54532%0.315SS..Hα-helixtrans-57.4-38.2176.1-24.834000112.7T46 S53T46-P49 WeakPolarHBondContact O-CD 3.37Å; P49-S53 WeakPolarHBondContact O-CB 3.33Å; P49-S53 PolarHBondContact O-N 2.94Å; P49-S53 VanDerWaalsContact O-N 3.12Å
50T98.3Very high97.4Very high36 Ų3658.3 Ų58.322%0.22133%0.327CS..Hα-helixtrans-62.3-49.6177.4-58.60000111.2W41 T46 I47 R48 S53W41-T50 HydrophobicContact CD2-CG2 4.05Å; W41-T50 HydrophobicContact CE3-CG2 4.07Å; W41-T50 HydrophobicContact CH2-CG2 3.68Å; W41-T50 HydrophobicContact CZ2-CG2 3.84Å; W41-T50 HydrophobicContact CZ3-CG2 3.84Å; T46-T50 VanDerWaalsContact O-CB 3.27Å; T46-T50 WeakPolarHBondContact O-CB 3.34Å; T46-T50 PolarHBondContact O-N 3.46Å; T46-T50 VanDerWaalsContact O-N 3.11Å; T46-T50 PolarHBondContact O-OG1 3.48Å; I47-T50 PolarHBondContact O-N 3.35Å; R48-T50 PolarHBondContact O-N 2.92Å; T50-S53 PolarHBondContact O-N 2.92Å; T50-S53 PolarHBondContact O-OG 2.74Å
51L98.4Very high97.2Very high0 Ų057.5 Ų57.50%033%0.334CS..Hα-helixtrans-72.2-33-178.4-63.9-176.8000112.9C34 W41 I47 R48 S53 L54 L79 Y83 C99 L100C34-L51 HydrophobicContact CB-CD2 4.03Å; W41-L51 HydrophobicContact CZ3-CD2 4.33Å; I47-L51 HydrophobicContact CD1-CD1 3.67Å; I47-L51 HydrophobicContact CD1-CD2 4.36Å; I47-L51 HydrophobicContact CD1-CG 3.89Å; I47-L51 HydrophobicContact CG1-CD1 3.81Å; I47-L51 HydrophobicContact CG1-CG 4.25Å; I47-L51 WeakPolarHBondContact O-CB 3.26Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.17Å; I47-L51 PolarHBondContact O-N 3.08Å; R48-L51 PolarHBondContact O-N 2.9Å; R48-L51 VanDerWaalsContact O-N 3.17Å; L51-S53 PolarHBondContact O-N 2.82Å; L51-L54 HydrophobicContact CB-CD1 4.5Å; L51-L54 HydrophobicContact CD2-CD1 3.77Å; L51-L54 VanDerWaalsContact O-CB 3.29Å; L51-L54 WeakPolarHBondContact O-CB 3.43Å; L51-L54 PolarHBondContact O-N 3.43Å; L51-L79 HydrophobicContact CD1-CB 4.12Å; L51-L79 HydrophobicContact CD2-CB 4.33Å; L51-L79 HydrophobicContact CD2-CD1 4.1Å; L51-L79 HydrophobicContact CD2-CD2 3.96Å; L51-L79 HydrophobicContact CD2-CG 4.32Å; L51-Y83 HydrophobicContact CB-CD2 4.18Å; L51-Y83 HydrophobicContact CD1-CD2 4.15Å; L51-C99 PolarHBondContact O-SG 3.04Å; L51-L100 HydrophobicContact CB-CD1 4.25Å; L51-L100 HydrophobicContact CD1-CD1 4.13Å
52E98.3Very high97.1Very high98 Ų9856.8 Ų56.846%0.45833%0.332SS..Hα-helixtrans-66.7-25.9174.2-73.7165.4-173.300112.5R48 L54 Y83 P97R48-E52 WeakPolarHBondContact O-CB 3.12Å; R48-E52 VanDerWaalsContact O-CG 3.27Å; R48-E52 WeakPolarHBondContact O-CG 3.34Å; R48-E52 PolarHBondContact O-N 2.84Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 2.87Å; E52-Y83 HydrophobicContact CG-CE2 3.97Å; E52-Y83 WeakPolarHBondContact OE1-CE2 3.49Å; E52-Y83 PolarHBondContact OE1-OH 2.98Å; E52-P97 HydrophobicContact CG-CB 4.31Å; E52-P97 HydrophobicContact CG-CG 4.19Å
53S97.8Very high96.8Very high91 Ų9157.9 Ų57.964%0.63635%0.345SS*.THydrogen-bonded Turntrans-78.9-5.9174.977.70000114.3P49 T50 L51P49-S53 WeakPolarHBondContact O-CB 3.33Å; P49-S53 PolarHBondContact O-N 2.94Å; P49-S53 VanDerWaalsContact O-N 3.12Å; T50-S53 PolarHBondContact O-N 2.92Å; T50-S53 PolarHBondContact O-OG 2.74Å; L51-S53 PolarHBondContact O-N 2.82Å
54L98.2Very high96.6Very high20 Ų2064.8 Ų64.811%0.10536%0.359CS..SBendtrans-66142.1-179.9-76174.4000112.1L51 E52 L79 C99 L100L51-L54 HydrophobicContact CB-CD1 4.5Å; L51-L54 HydrophobicContact CD2-CD1 3.77Å; L51-L54 VanDerWaalsContact O-CB 3.29Å; L51-L54 WeakPolarHBondContact O-CB 3.43Å; L51-L54 PolarHBondContact O-N 3.43Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 2.87Å; L54-L79 HydrophobicContact CD1-CD1 4.29Å; L54-C99 HydrophobicContact CB-CB 4.1Å; L54-C99 WeakPolarHBondContact O-CB 3.15Å; L54-L100 HydrophobicContact CD1-CD2 4.24Å
55P97.9Very high96.6Very high70 Ų7061.7 Ų61.746%0.45535%0.345SS..  trans-64.7145.9169.629.3-34.7000110.4L57P55-L57 HydrophobicContact CB-CD2 4.13Å; P55-L57 HydrophobicContact CG-CD2 3.86Å; P55-L57 HydrophobicContact CG-CG 4.25Å; P55-L57 PolarHBondContact O-N 3.22Å
56L98.2Very high96.7Very high81 Ų8162.7 Ų62.742%0.42434%0.335SS..  trans-71.5108.8166.1175.259.5000108.6C98 V102L56-C98 WeakPolarHBondContact CD1-O 3.21Å; L56-V102 HydrophobicContact CD1-CB 3.91Å; L56-V102 HydrophobicContact CD1-CG1 4.23Å; L56-V102 HydrophobicContact CD1-CG2 4.43Å
57L98.3Very high96.7Very high12 Ų1262.8 Ų62.86%0.06333%0.331CS..  trans-97.5139.7-179.9-60.9-175.1000112Y27 Y28 S30 W31 P55Y27-L57 HydrophobicContact CE1-CB 3.94Å; Y27-L57 HydrophobicContact CE1-CD2 3.94Å; Y27-L57 HydrophobicContact CE1-CG 4.38Å; Y27-L57 HydrophobicContact CE2-CD2 4.25Å; Y27-L57 WeakPolarHBondContact O-CD1 3.47Å; Y28-L57 HydrophobicContact CD1-CB 4.39Å; Y28-L57 HydrophobicContact CD1-CD1 3.87Å; Y28-L57 HydrophobicContact CE1-CB 4.38Å; S30-L57 WeakPolarHBondContact OG-CD1 3.48Å; W31-L57 HydrophobicContact CD2-CD1 4.19Å; W31-L57 HydrophobicContact CG-CD1 4.44Å; W31-L57 HydrophobicContact CH2-CB 4.31Å; W31-L57 HydrophobicContact CZ2-CB 3.63Å; W31-L57 HydrophobicContact CZ2-CD1 4.13Å; W31-L57 HydrophobicContact CZ2-CG 4.37Å; P55-L57 HydrophobicContact CB-CD2 4.13Å; P55-L57 HydrophobicContact CG-CD2 3.86Å; P55-L57 HydrophobicContact CG-CG 4.25Å; P55-L57 PolarHBondContact O-N 3.22Å
58H97.2Very high96.8Very high109 Ų10964.9 Ų64.951%0.50534%0.34SS..  trans-80142.2178.4-75.1-61.7000112.1Y27 Y28 E60Y27-H58 PolarHBondContact OH-N 3.4Å; Y28-H58 WeakPolarHBondContact CE1-O 3.26Å; Y28-H58 PolarHBondContact OH-O 3.39Å; H58-E60 WeakPolarHBondContact CB-OE2 3.17Å; H58-E60 IonicContact CG-OE2 3.17Å
59T97.4Very high96.8Very high0 Ų063.6 Ų63.60%034%0.336CS..  trans-1084.5-170.368.50000114.5W31 C61 L62 P103 E106 I107 K110W31-T59 HydrophobicContact CH2-CG2 4.16Å; T59-C61 VanDerWaalsContact C-N 3.34Å; T59-C61 PolarHBondContact O-N 2.95Å; T59-L62 PolarHBondContact O-N 3.41Å; T59-P103 HydrophobicContact CG2-CB 3.53Å; T59-E106 HydrophobicContact CG2-CB 4.43Å; T59-E106 WeakPolarHBondContact CG2-OE2 3.48Å; T59-E106 PolarHBondContact OG1-OE2 3.16Å; T59-I107 HydrophobicContact CG2-CD1 3.86Å; T59-I107 HydrophobicContact CG2-CG1 3.91Å; T59-K110 PolarHBondContact O-NZ 3.01Å; T59-K110 PolarHBondContact OG1-NZ 3.45Å
60E95Very high96.8Very high114 Ų11459.8 Ų59.853%0.53331%0.311SS..G310 helixtrans-63.7-38.8-176.3-66.777.6-176.100111.5H58 L62 A63H58-E60 WeakPolarHBondContact CB-OE2 3.17Å; H58-E60 IonicContact CG-OE2 3.17Å; E60-L62 PolarHBondContact O-N 3.15Å; E60-L62 VanDerWaalsContact O-N 3.14Å; E60-A63 WeakPolarHBondContact O-CB 3.47Å; E60-A63 PolarHBondContact O-N 3.38Å; E60-A63 VanDerWaalsContact O-N 3.12Å
61C92.9Very high96.8Very high95 Ų9558.3 Ų58.364%0.64230%0.302SS*.G310 helixtrans-64.2-18.6179.8-60.70000113.3Y28 T59Y28-C61 HydrophobicContact CE2-CB 4.43Å; T59-C61 VanDerWaalsContact C-N 3.34Å; T59-C61 PolarHBondContact O-N 2.95Å
62L96.6Very high96.9Very high0 Ų058.3 Ų58.30%030%0.302CS..G310 helixtrans-91.4-15.8179.3-57.7170.7000112.9L24 Y28 W31 T59 E60 R64 S65 Q68 L69 A72 I107L24-L62 HydrophobicContact CD2-CD2 3.96Å; Y28-L62 HydrophobicContact CD1-CD1 4.44Å; Y28-L62 HydrophobicContact CD2-CD2 3.95Å; Y28-L62 HydrophobicContact CD2-CG 4.45Å; Y28-L62 HydrophobicContact CE1-CD1 3.89Å; Y28-L62 HydrophobicContact CE1-CG 4.31Å; Y28-L62 HydrophobicContact CE2-CD1 4.02Å; Y28-L62 HydrophobicContact CE2-CD2 3.47Å; Y28-L62 VanDerWaalsContact CE2-CD2 3.47Å; Y28-L62 HydrophobicContact CE2-CG 3.65Å; W31-L62 HydrophobicContact CZ3-CD1 4.04Å; T59-L62 PolarHBondContact O-N 3.41Å; E60-L62 PolarHBondContact O-N 3.15Å; E60-L62 VanDerWaalsContact O-N 3.14Å; L62-R64 PolarHBondContact O-N 3.41Å; L62-S65 PolarHBondContact O-N 3.02Å; L62-S65 VanDerWaalsContact O-N 3.12Å; L62-Q68 HydrophobicContact CD2-CB 3.85Å; L62-Q68 HydrophobicContact CD2-CG 4.5Å; L62-L69 HydrophobicContact CB-CD2 3.89Å; L62-L69 WeakPolarHBondContact O-CG 3.26Å; L62-A72 HydrophobicContact CD1-CB 3.71Å; L62-I107 HydrophobicContact CD1-CD1 4.2Å
63A89.7Confident96.9Very high51 Ų5153.6 Ų53.642%0.42128%0.28SS..THydrogen-bonded Turntrans-61.6-21.2-165.800000114.6E60 K110E60-A63 WeakPolarHBondContact O-CB 3.47Å; E60-A63 PolarHBondContact O-N 3.38Å; E60-A63 VanDerWaalsContact O-N 3.12Å; A63-K110 HydrophobicContact CB-CD 4.37Å
64R91.1Very high96.9Very high252 Ų25249.3 Ų49.395%0.95125%0.25SC*.THydrogen-bonded Turntrans-93-4.2-176.8-63.9-176.3179.5166.90.5114.3L62L62-R64 PolarHBondContact O-N 3.41Å
65S97Very high97Very high34 Ų3448.4 Ų48.424%0.23825%0.245CC..  trans-128.8109.4-177.8175.20000111.1L62 K67 Q68 L69L62-S65 PolarHBondContact O-N 3.02Å; L62-S65 VanDerWaalsContact O-N 3.12Å; S65-K67 PolarHBondContact O-N 3.13Å; S65-Q68 PolarHBondContact O-N 2.83Å; S65-Q68 VanDerWaalsContact O-N 3.13Å; S65-Q68 WeakPolarHBondContact OG-CG 3.41Å; S65-Q68 PolarHBondContact OG-N 3.43Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 3.11Å
66H97.2Very high97Very high74 Ų7445 Ų4534%0.34322%0.223SC..Hα-helixtrans-54.7-42.7175-174.963000111.6Q68 L69 R70H66-Q68 PolarHBondContact O-N 2.79Å; H66-L69 PolarHBondContact O-N 2.78Å; H66-R70 WeakPolarHBondContact O-CG 3.37Å; H66-R70 PolarHBondContact O-N 3.14Å
67K98.1Very high97Very high60 Ų6041.2 Ų41.226%0.26120%0.203SC..Hα-helixtrans-64.7-38.8179.2-67-170.4171.4-162.10112.8L17 E18 R19 L21 S65 R70 L71L17-K67 HydrophobicContact CD1-CG 4.25Å; E18-K67 VanDerWaalsContact O-CE 3.23Å; E18-K67 WeakPolarHBondContact O-CE 3.3Å; E18-K67 PolarHBondContact O-NZ 3.18Å; R19-K67 PolarHBondContact O-NZ 3.37Å; L21-K67 HydrophobicContact CD1-CB 3.76Å; L21-K67 HydrophobicContact CG-CB 3.9Å; L21-K67 HydrophobicContact CG-CD 4.46Å; S65-K67 PolarHBondContact O-N 3.13Å; K67-R70 PolarHBondContact O-N 3.47Å; K67-L71 PolarHBondContact O-N 3.35Å
68Q98.5Very high97Very high45 Ų4540.7 Ų40.721%0.2120%0.2CC..Hα-helixtrans-68-41.9175.5-73.1178.7-21.400111.5L21 L24 L62 S65 H66 R70 L71 A72L21-Q68 HydrophobicContact CD1-CG 3.64Å; L24-Q68 HydrophobicContact CD2-CB 3.95Å; L24-Q68 HydrophobicContact CD2-CG 4.14Å; L62-Q68 HydrophobicContact CD2-CB 3.85Å; L62-Q68 HydrophobicContact CD2-CG 4.5Å; S65-Q68 PolarHBondContact O-N 2.83Å; S65-Q68 VanDerWaalsContact O-N 3.13Å; S65-Q68 WeakPolarHBondContact OG-CG 3.41Å; S65-Q68 PolarHBondContact OG-N 3.43Å; H66-Q68 PolarHBondContact O-N 2.79Å; Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 PolarHBondContact O-N 3.45Å; Q68-L71 PolarHBondContact O-N 3.41Å; Q68-A72 VanDerWaalsContact O-CB 3.29Å; Q68-A72 WeakPolarHBondContact O-CB 3.34Å; Q68-A72 PolarHBondContact O-N 3.03Å
69L98.6Very high97.1Very high9 Ų935.5 Ų35.55%0.04718%0.176CC..Hα-helixtrans-58.5-41.4173.3-68.9170.9000111.5L62 S65 H66 H73 I107 K110 L111L62-L69 HydrophobicContact CB-CD2 3.89Å; L62-L69 WeakPolarHBondContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.31Å; S65-L69 PolarHBondContact O-N 3.11Å; H66-L69 PolarHBondContact O-N 2.78Å; L69-H73 VanDerWaalsContact O-CB 3.29Å; L69-H73 WeakPolarHBondContact O-CB 3.31Å; L69-H73 PolarHBondContact O-N 2.8Å; L69-I107 HydrophobicContact CB-CG2 4.48Å; L69-I107 HydrophobicContact CD2-CG1 4.34Å; L69-I107 HydrophobicContact CD2-CG2 4.25Å; L69-I107 WeakPolarHBondContact O-CG2 3.48Å; L69-K110 HydrophobicContact CD1-CB 4.06Å; L69-K110 HydrophobicContact CD2-CB 4.06Å; L69-K110 HydrophobicContact CD2-CD 3.93Å; L69-L111 HydrophobicContact CB-CD2 3.77Å; L69-L111 HydrophobicContact CB-CG 4.15Å; L69-L111 HydrophobicContact CD1-CD2 4.48Å
70R98.6Very high97.2Very high4 Ų435.5 Ų35.52%0.01518%0.177CC..Hα-helixtrans-66.2-44.4178.2-65.8-70.2-66.9-71.85.8112.4L17 H66 K67 Q68 H73 L74 L111 T121L17-R70 HydrophobicContact CD2-CB 3.68Å; L17-R70 HydrophobicContact CD2-CG 3.99Å; H66-R70 WeakPolarHBondContact O-CG 3.37Å; H66-R70 PolarHBondContact O-N 3.14Å; K67-R70 PolarHBondContact O-N 3.47Å; Q68-R70 VanDerWaalsContact C-N 3.28Å; Q68-R70 PolarHBondContact O-N 3.45Å; R70-H73 PolarHBondContact O-N 3.42Å; R70-L74 WeakPolarHBondContact O-CB 3.23Å; R70-L74 PolarHBondContact O-N 3.47Å; R70-L111 HydrophobicContact CG-CD2 4.11Å; R70-T121 PolarHBondContact NH2-O 2.75Å
71L98.7Very high97.3Very high5 Ų530.1 Ų30.13%0.02615%0.151CC..Hα-helixtrans-65.7-43.4176177.960.5000111.8L21 A23 L24 K67 Q68 H73 L74 Q75L21-L71 HydrophobicContact CB-CD2 3.93Å; L21-L71 WeakPolarHBondContact O-CD1 3.4Å; L21-L71 WeakPolarHBondContact O-CD2 3.32Å; A23-L71 VanDerWaalsContact C-CD2 3.44Å; A23-L71 WeakPolarHBondContact O-CD2 3.31Å; L24-L71 HydrophobicContact CD2-CB 4.11Å; L24-L71 HydrophobicContact CD2-CD2 3.88Å; L24-L71 HydrophobicContact CD2-CG 4.15Å; L24-L71 HydrophobicContact CG-CD2 3.83Å; L24-L71 HydrophobicContact CG-CG 4.14Å; K67-L71 PolarHBondContact O-N 3.35Å; Q68-L71 PolarHBondContact O-N 3.41Å; L71-H73 VanDerWaalsContact C-N 3.33Å; L71-H73 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CD1-CD2 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.17Å; L71-Q75 HydrophobicContact CD1-CG 4.38Å; L71-Q75 WeakPolarHBondContact O-CG 3.46Å; L71-Q75 PolarHBondContact O-N 3.45Å
72A98.8Very high97.6Very high0 Ų025.6 Ų25.60%012%0.121CC..Hα-helixtrans-62.5-41177.200000111.8L24 W31 L62 Q68 L74 Q75 L76 I107L24-A72 HydrophobicContact CD1-CB 3.76Å; L24-A72 HydrophobicContact CD2-CB 4.48Å; W31-A72 HydrophobicContact CE3-CB 4.49Å; W31-A72 HydrophobicContact CZ3-CB 4.07Å; L62-A72 HydrophobicContact CD1-CB 3.71Å; Q68-A72 VanDerWaalsContact O-CB 3.29Å; Q68-A72 WeakPolarHBondContact O-CB 3.34Å; Q68-A72 PolarHBondContact O-N 3.03Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 3.49Å; A72-Q75 PolarHBondContact O-N 3.05Å; A72-L76 WeakPolarHBondContact O-CB 3.26Å; A72-L76 WeakPolarHBondContact O-CG 3.25Å; A72-L76 PolarHBondContact O-N 2.97Å; A72-I107 HydrophobicContact CB-CD1 3.7Å
73H98.8Very high97.7Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-63.7-37.4174.2-163.6-89.9000112.2L69 R70 L71 G77 Y104 I107 S108 L111 T122L69-H73 VanDerWaalsContact O-CB 3.29Å; L69-H73 WeakPolarHBondContact O-CB 3.31Å; L69-H73 PolarHBondContact O-N 2.8Å; R70-H73 PolarHBondContact O-N 3.42Å; L71-H73 VanDerWaalsContact C-N 3.33Å; L71-H73 PolarHBondContact O-N 3.29Å; H73-G77 WeakPolarHBondContact O-CA 3.44Å; H73-G77 PolarHBondContact O-N 2.99Å; H73-Y104 AromaticContact CD2-CD2 3.97Å; H73-Y104 AromaticContact CD2-CE2 3.6Å; H73-Y104 AromaticContact CE1-CE2 3.51Å; H73-Y104 AromaticContact CE1-CZ 3.89Å; H73-Y104 AromaticContact NE2-CD2 3.95Å; H73-Y104 AromaticContact NE2-CE2 3.22Å; H73-Y104 WeakPolarHBondContact NE2-CE2 3.49Å; H73-Y104 AromaticContact NE2-CZ 3.72Å; H73-I107 HydrophobicContact CB-CG2 3.78Å; H73-S108 PolarHBondContact CD2-OG 2.94Å; H73-S108 PolarHBondContact NE2-OG 2.67Å; H73-L111 HydrophobicContact CB-CD1 3.77Å; H73-T122 HydrophobicContact CB-CG2 4.45Å; H73-T122 PolarHBondContact CE1-OG1 3.1Å; H73-T122 VanDerWaalsContact ND1-CG2 3.31Å; H73-T122 WeakPolarHBondContact ND1-CG2 3.3Å; H73-T122 PolarHBondContact ND1-OG1 3.48Å
74L98.9Very high98Very high1 Ų123.6 Ų23.61%0.00510%0.102CC..Hα-helixtrans-65.9-44.7174.5174.862.8000112.8R70 L71 A72 T78 T122 V123 N127 L149 H150R70-L74 WeakPolarHBondContact O-CB 3.23Å; R70-L74 PolarHBondContact O-N 3.47Å; L71-L74 HydrophobicContact CD1-CD2 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.17Å; A72-L74 VanDerWaalsContact C-N 3.32Å; A72-L74 PolarHBondContact O-N 3.49Å; L74-T78 WeakPolarHBondContact O-CB 3.44Å; L74-T78 PolarHBondContact O-N 3.26Å; L74-T78 PolarHBondContact O-OG1 3.26Å; L74-T122 HydrophobicContact CB-CG2 3.81Å; L74-T122 HydrophobicContact CD1-CG2 4.07Å; L74-V123 HydrophobicContact CD1-CG1 4.49Å; L74-N127 HydrophobicContact CD1-CB 3.85Å; L74-N127 HydrophobicContact CD2-CB 3.86Å; L74-N127 WeakPolarHBondContact CD2-OD1 3.44Å; L74-L149 HydrophobicContact CD2-CB 4.03Å; L74-L149 HydrophobicContact CD2-CD1 4.32Å; L74-H150 HydrophobicContact CD1-CB 4.49Å; L74-H150 HydrophobicContact CD2-CB 4.4Å; L74-H150 HydrophobicContact CG-CB 4.12Å
75Q98.8Very high98.2Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-61.1-56.1175.4-72.4175.3-8.200110.4L24 W31 A35 L71 A72 G77 T78 L79 H150L24-Q75 VanDerWaalsContact CD1-OE1 3.25Å; W31-Q75 HydrophobicContact CB-CB 4.39Å; A35-Q75 HydrophobicContact CB-CB 4.25Å; A35-Q75 HydrophobicContact CB-CG 4.12Å; L71-Q75 HydrophobicContact CD1-CG 4.38Å; L71-Q75 WeakPolarHBondContact O-CG 3.46Å; L71-Q75 PolarHBondContact O-N 3.45Å; A72-Q75 PolarHBondContact O-N 3.05Å; Q75-G77 PolarHBondContact O-N 3.28Å; Q75-T78 VanDerWaalsContact O-CB 3.3Å; Q75-T78 WeakPolarHBondContact O-CB 3.32Å; Q75-T78 PolarHBondContact O-N 2.99Å; Q75-T78 VanDerWaalsContact O-N 3.14Å; Q75-L79 WeakPolarHBondContact O-CG 3.39Å; Q75-L79 PolarHBondContact O-N 3.26Å; Q75-L79 VanDerWaalsContact O-N 3.09Å; Q75-H150 VanDerWaalsContact CG-CD2 3.43Å; Q75-H150 WeakPolarHBondContact CG-CD2 3.32Å; Q75-H150 VanDerWaalsContact CG-NE2 3.3Å; Q75-H150 WeakPolarHBondContact CG-NE2 3.49Å; Q75-H150 PolarHBondContact NE2-NE2 3.47Å; Q75-H150 VanDerWaalsContact NE2-NE2 3.12Å
76L98.8Very high98.2Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-62.2-41.4179.8-71.8166000112.5W31 A72 T78 L79 V80 L100 P103 Y104 I107W31-L76 HydrophobicContact CD2-CD2 4.09Å; W31-L76 HydrophobicContact CD2-CG 4.26Å; W31-L76 HydrophobicContact CE3-CD1 4.4Å; W31-L76 HydrophobicContact CE3-CG 4.39Å; W31-L76 HydrophobicContact CG-CD2 4.32Å; W31-L76 HydrophobicContact CH2-CD1 4.03Å; W31-L76 HydrophobicContact CZ2-CD1 4.15Å; W31-L76 HydrophobicContact CZ2-CD2 4.22Å; W31-L76 HydrophobicContact CZ3-CD1 4.14Å; A72-L76 WeakPolarHBondContact O-CB 3.26Å; A72-L76 WeakPolarHBondContact O-CG 3.25Å; A72-L76 PolarHBondContact O-N 2.97Å; L76-T78 VanDerWaalsContact C-N 3.27Å; L76-T78 PolarHBondContact O-N 3.49Å; L76-L79 PolarHBondContact O-N 2.86Å; L76-L79 VanDerWaalsContact O-N 3.08Å; L76-V80 WeakPolarHBondContact O-CB 3.49Å; L76-V80 VanDerWaalsContact O-CG2 3.28Å; L76-V80 WeakPolarHBondContact O-CG2 3.29Å; L76-V80 PolarHBondContact O-N 3.47Å; L76-L100 HydrophobicContact CD2-CD2 4.11Å; L76-P103 HydrophobicContact CD1-CB 3.98Å; L76-P103 HydrophobicContact CD1-CG 4.33Å; L76-P103 HydrophobicContact CD2-CG 4.23Å; L76-Y104 HydrophobicContact CB-CD2 3.72Å; L76-Y104 HydrophobicContact CB-CE2 4.49Å; L76-Y104 HydrophobicContact CB-CG 4.37Å; L76-I107 HydrophobicContact CD1-CD1 3.51Å
77G98.5Very high97.9Very high1 Ų111 Ų111%0.016%0.055CC..Hα-helixtrans-61.7-34.4176.100000113H73 Q75 S81H73-G77 WeakPolarHBondContact O-CA 3.44Å; H73-G77 PolarHBondContact O-N 2.99Å; Q75-G77 PolarHBondContact O-N 3.28Å; G77-S81 VanDerWaalsContact O-CB 3.25Å; G77-S81 WeakPolarHBondContact O-CB 3.47Å; G77-S81 PolarHBondContact O-N 3.02Å; G77-S81 VanDerWaalsContact O-N 3.11Å
78T98.8Very high97.6Very high0 Ų09.4 Ų9.40%06%0.055CC..Hα-helixtrans-63-47.8170.4-58.60000110.8V38 L74 Q75 L76 A82 F151 L153V38-T78 HydrophobicContact CB-CG2 4.41Å; V38-T78 HydrophobicContact CG1-CG2 4.04Å; V38-T78 HydrophobicContact CG2-CG2 4.35Å; L74-T78 WeakPolarHBondContact O-CB 3.44Å; L74-T78 PolarHBondContact O-N 3.26Å; L74-T78 PolarHBondContact O-OG1 3.26Å; Q75-T78 VanDerWaalsContact O-CB 3.3Å; Q75-T78 WeakPolarHBondContact O-CB 3.32Å; Q75-T78 PolarHBondContact O-N 2.99Å; Q75-T78 VanDerWaalsContact O-N 3.14Å; L76-T78 VanDerWaalsContact C-N 3.27Å; L76-T78 PolarHBondContact O-N 3.49Å; T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.41Å; T78-F151 HydrophobicContact CG2-CD2 4.48Å; T78-F151 PolarHBondContact OG1-N 3.44Å; T78-F151 VanDerWaalsContact OG1-N 3.12Å; T78-L153 HydrophobicContact CG2-CD2 4.16Å
79L98.8Very high97Very high0 Ų08.5 Ų8.50%05%0.051CC..Hα-helixtrans-68.3-41.8-178-57.3-176.3000112.9C34 A35 L51 L54 Q75 L76 A82 Y83 L100C34-L79 HydrophobicContact CB-CD1 3.7Å; C34-L79 HydrophobicContact CB-CD2 3.61Å; C34-L79 HydrophobicContact CB-CG 4.3Å; A35-L79 HydrophobicContact CB-CD2 4.37Å; L51-L79 HydrophobicContact CD1-CB 4.12Å; L51-L79 HydrophobicContact CD2-CB 4.33Å; L51-L79 HydrophobicContact CD2-CD1 4.1Å; L51-L79 HydrophobicContact CD2-CD2 3.96Å; L51-L79 HydrophobicContact CD2-CG 4.32Å; L54-L79 HydrophobicContact CD1-CD1 4.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.39Å; Q75-L79 PolarHBondContact O-N 3.26Å; Q75-L79 VanDerWaalsContact O-N 3.09Å; L76-L79 PolarHBondContact O-N 2.86Å; L76-L79 VanDerWaalsContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3.05Å; L79-Y83 VanDerWaalsContact O-CB 3.29Å; L79-Y83 WeakPolarHBondContact O-CB 3.4Å; L79-Y83 PolarHBondContact O-N 3.28Å; L79-L100 HydrophobicContact CB-CD2 3.97Å; L79-L100 HydrophobicContact CD1-CD2 4.08Å
80V98.5Very high96.5Very high1 Ų113.4 Ų13.41%0.0068%0.078CC..Hα-helixtrans-63-46.5177.7169.60000110.5L76 Y83 I84 L96 L100 Y104 I117L76-V80 WeakPolarHBondContact O-CB 3.49Å; L76-V80 VanDerWaalsContact O-CG2 3.28Å; L76-V80 WeakPolarHBondContact O-CG2 3.29Å; L76-V80 PolarHBondContact O-N 3.47Å; V80-Y83 PolarHBondContact O-N 2.83Å; V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CB 3.16Å; V80-I84 VanDerWaalsContact O-CG1 3.29Å; V80-I84 WeakPolarHBondContact O-CG1 3.49Å; V80-I84 PolarHBondContact O-N 3.41Å; V80-I84 VanDerWaalsContact O-N 3.13Å; V80-L96 HydrophobicContact CG1-CD1 4.29Å; V80-L96 HydrophobicContact CG1-CD2 4.15Å; V80-L96 HydrophobicContact CG2-CD1 4.27Å; V80-L96 HydrophobicContact CG2-CD2 3.93Å; V80-L100 HydrophobicContact CG2-CB 4.23Å; V80-Y104 HydrophobicContact CG1-CE1 4.32Å; V80-Y104 HydrophobicContact CG2-CD1 3.95Å; V80-Y104 HydrophobicContact CG2-CE1 4.37Å; V80-Y104 HydrophobicContact CG2-CG 4.14Å; V80-I117 HydrophobicContact CG1-CD1 3.91Å
81S98.1Very high96.1Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-57.3-50.7174.4172.90000111.4G77 Y83 I84 W85 F232G77-S81 VanDerWaalsContact O-CB 3.25Å; G77-S81 WeakPolarHBondContact O-CB 3.47Å; G77-S81 PolarHBondContact O-N 3.02Å; G77-S81 VanDerWaalsContact O-N 3.11Å; S81-Y83 PolarHBondContact O-N 3.41Å; S81-I84 PolarHBondContact O-N 2.86Å; S81-W85 PolarHBondContact O-N 3.05Å; S81-F232 WeakPolarHBondContact OG-CB 3.47Å; S81-F232 PolarHBondContact OG-O 3.06Å
82A98.4Very high95.9Very high0 Ų016.4 Ų16.40%09%0.094CC..Hα-helixtrans-61.7-44.2179.800000112.3V38 L42 I47 T78 L79 I84 C86 L153V38-A82 HydrophobicContact CG2-CB 3.44Å; V38-A82 VanDerWaalsContact CG2-CB 3.44Å; L42-A82 HydrophobicContact CD1-CB 4.41Å; L42-A82 HydrophobicContact CD2-CB 4.28Å; I47-A82 HydrophobicContact CD1-CB 4.24Å; I47-A82 HydrophobicContact CG1-CB 4.18Å; T78-A82 WeakPolarHBondContact O-CB 3.45Å; T78-A82 PolarHBondContact O-N 3.41Å; L79-A82 PolarHBondContact O-N 3.05Å; A82-I84 VanDerWaalsContact C-N 3.33Å; A82-I84 PolarHBondContact O-N 3.01Å; A82-C86 WeakPolarHBondContact O-CA 3.36Å; A82-C86 WeakPolarHBondContact O-CB 3.36Å; A82-C86 PolarHBondContact O-N 3.27Å; A82-L153 HydrophobicContact CB-CD2 4.04Å
83Y98.4Very high95.7Very high10 Ų1017 Ų174%0.03910%0.098CC..Hα-helixtrans-59.8-43.2179.5-176.9-88.3000112.5R48 L51 E52 L79 V80 S81 P93 S95 L96 P97 L100R48-Y83 HydrophobicContact CB-CD2 4.25Å; R48-Y83 HydrophobicContact CB-CE2 3.81Å; R48-Y83 HydrophobicContact CG-CD2 3.81Å; R48-Y83 HydrophobicContact CG-CE2 3.62Å; R48-Y83 HydrophobicContact CG-CG 4.45Å; R48-Y83 PolarHBondContact NE-O 3.25Å; L51-Y83 HydrophobicContact CB-CD2 4.18Å; L51-Y83 HydrophobicContact CD1-CD2 4.15Å; E52-Y83 HydrophobicContact CG-CE2 3.97Å; E52-Y83 WeakPolarHBondContact OE1-CE2 3.49Å; E52-Y83 PolarHBondContact OE1-OH 2.98Å; L79-Y83 VanDerWaalsContact O-CB 3.29Å; L79-Y83 WeakPolarHBondContact O-CB 3.4Å; L79-Y83 PolarHBondContact O-N 3.28Å; V80-Y83 PolarHBondContact O-N 2.83Å; S81-Y83 PolarHBondContact O-N 3.41Å; Y83-P93 HydrophobicContact CD1-CG 4.13Å; Y83-P93 HydrophobicContact CE1-CB 3.99Å; Y83-P93 HydrophobicContact CE1-CG 3.91Å; Y83-S95 WeakPolarHBondContact CE1-O 3.49Å; Y83-L96 HydrophobicContact CD1-CD1 3.72Å; Y83-L96 HydrophobicContact CE1-CD1 4.31Å; Y83-L96 HydrophobicContact CG-CD1 4.18Å; Y83-P97 HydrophobicContact CE2-CG 4.08Å; Y83-L100 HydrophobicContact CD2-CD1 4.4Å; Y83-L100 HydrophobicContact CG-CD1 4.34Å
84I96.8Very high95.5Very high0 Ų019.8 Ų19.80%012%0.117CC..Hα-helixtrans-73.2-45.1-175.5-69171.3000110.9V80 S81 A82 P93 I117 T236 F241 I248 L262V80-I84 HydrophobicContact CG1-CD1 3.79Å; V80-I84 WeakPolarHBondContact O-CB 3.16Å; V80-I84 VanDerWaalsContact O-CG1 3.29Å; V80-I84 WeakPolarHBondContact O-CG1 3.49Å; V80-I84 PolarHBondContact O-N 3.41Å; V80-I84 VanDerWaalsContact O-N 3.13Å; S81-I84 PolarHBondContact O-N 2.86Å; A82-I84 VanDerWaalsContact C-N 3.33Å; A82-I84 PolarHBondContact O-N 3.01Å; I84-P93 HydrophobicContact CG1-CG 4.38Å; I84-P93 WeakPolarHBondContact O-CD 3.27Å; I84-I117 HydrophobicContact CD1-CD1 3.55Å; I84-T236 HydrophobicContact CD1-CG2 4.33Å; I84-T236 HydrophobicContact CG2-CG2 4.46Å; I84-F241 HydrophobicContact CG2-CE1 4.48Å; I84-F241 HydrophobicContact CG2-CZ 3.68Å; I84-I248 HydrophobicContact CD1-CD1 4.04Å; I84-I248 HydrophobicContact CG1-CD1 3.89Å; I84-L262 HydrophobicContact CD1-CD1 4.32Å
85W95.8Very high95.3Very high2 Ų220.4 Ų20.41%0.00812%0.122CC..Hα-helixtrans-106.29.6-168.6-67.6112.2000114.8S81 N87 G88 V92 P231 F232 S234 V240 F241 L370S81-W85 PolarHBondContact O-N 3.05Å; W85-N87 PolarHBondContact O-N 3.4Å; W85-G88 PolarHBondContact O-N 2.88Å; W85-V92 HydrophobicContact CE3-CG1 4.16Å; W85-V92 HydrophobicContact CH2-CG1 4.31Å; W85-V92 HydrophobicContact CZ3-CG1 3.75Å; W85-P231 VanDerWaalsContact CD1-O 3.28Å; W85-P231 HydrophobicContact CE3-CB 4.47Å; W85-P231 PolarHBondContact NE1-O 3.27Å; W85-F232 HydrophobicContact CB-CD1 3.63Å; W85-F232 HydrophobicContact CB-CE1 3.9Å; W85-F232 HydrophobicContact CB-CG 4.32Å; W85-S234 PolarHBondContact NE1-O 3.08Å; W85-V240 HydrophobicContact CH2-CG2 3.84Å; W85-V240 HydrophobicContact CZ3-CG2 4.22Å; W85-F241 AromaticContact CH2-CE2 3.71Å; W85-F241 HydrophobicContact CH2-CE2 3.71Å; W85-F241 AromaticContact CZ2-CE2 3.73Å; W85-F241 HydrophobicContact CZ2-CE2 3.73Å; W85-F241 HydrophobicContact CZ2-CZ 4.43Å; W85-L370 HydrophobicContact CE3-CD1 4.39Å; W85-L370 HydrophobicContact CH2-CD1 4.03Å; W85-L370 HydrophobicContact CH2-CD2 3.68Å; W85-L370 HydrophobicContact CH2-CG 4.29Å; W85-L370 HydrophobicContact CZ2-CD2 4.27Å; W85-L370 HydrophobicContact CZ3-CD1 3.78Å; W85-L370 HydrophobicContact CZ3-CD2 4.28Å; W85-L370 HydrophobicContact CZ3-CG 4.42Å
86C95.5Very high95.3Very high24 Ų2420.4 Ų20.416%0.16212%0.122CC..THydrogen-bonded Turntrans-54.9-31-176.559.90000115.2L42 I47 R48 A82L42-C86 HydrophobicContact CD2-CB 3.57Å; I47-C86 HydrophobicContact CG2-CB 3.29Å; R48-C86 PolarHBondContact NH2-SG 3.46Å; R48-C86 VanDerWaalsContact NH2-SG 3.45Å; A82-C86 WeakPolarHBondContact O-CA 3.36Å; A82-C86 WeakPolarHBondContact O-CB 3.36Å; A82-C86 PolarHBondContact O-N 3.27Å
87N93Very high95.2Very high70 Ų7021.1 Ų21.137%0.37413%0.126SC..THydrogen-bonded Turntrans-112.323.4-179-62.8-17000111.5W85 D90 D91W85-N87 PolarHBondContact O-N 3.4Å; N87-D90 PolarHBondContact O-N 3.35Å; N87-D91 HydrophobicContact CB-CB 3.83Å; N87-D91 PolarHBondContact ND2-OD2 2.6Å
88G89.8Confident95.2Very high25 Ų2523.6 Ų23.626%0.25814%0.143SC..THydrogen-bonded Turntrans58.5-139.6-178.700000113.3W85 V92W85-G88 PolarHBondContact O-N 2.88Å; G88-V92 WeakPolarHBondContact O-CG1 3.36Å
89E87.1Confident95.2Very high27 Ų2723.8 Ų23.813%0.12614%0.144CC..THydrogen-bonded Turntrans-78.8-23.8-179.4-63.4-164.9-152.300113.2D91 V240 L369 L370E89-D91 PolarHBondContact O-N 3.33Å; E89-V240 HydrophobicContact CB-CG1 3.93Å; E89-V240 HydrophobicContact CG-CG1 4.05Å; E89-V240 VanDerWaalsContact OE2-CG1 3.29Å; E89-V240 WeakPolarHBondContact OE2-CG1 3.38Å; E89-L369 PolarHBondContact OE1-N 3.3Å; E89-L369 VanDerWaalsContact OE2-CB 3.27Å; E89-L369 WeakPolarHBondContact OE2-CB 3.09Å; E89-L369 PolarHBondContact OE2-N 3.04Å; E89-L370 HydrophobicContact CG-CD1 3.67Å; E89-L370 HydrophobicContact CG-CG 3.89Å; E89-L370 WeakPolarHBondContact OE1-CB 3.41Å; E89-L370 WeakPolarHBondContact OE1-CD1 3.47Å; E89-L370 WeakPolarHBondContact OE1-CG 3.38Å; E89-L370 PolarHBondContact OE1-N 2.87Å
90D87Confident95.1Very high112 Ų11223.8 Ų23.860%0.59914%0.144SC*.THydrogen-bonded Turntrans-63.5-43.8-170.1-61.5-18.9000111.3N87 R243 Q367N87-D90 PolarHBondContact O-N 3.35Å; D90-R243 PolarHBondContact O-NH1 2.87Å; D90-R243 VanDerWaalsContact O-NH1 3.15Å; D90-R243 PolarHBondContact O-NH2 3.5Å; D90-Q367 PolarHBondContact OD1-OE1 3.39Å
91D90.9Very high95.1Very high69 Ų6923.8 Ų23.837%0.36914%0.144SC..THydrogen-bonded Turntrans-134.863.9-171.6178.438.6000111.6R48 N87 E89R48-D91 IonicContact CZ-OD2 2.69Å; R48-D91 IonicContact NH1-OD1 2.81Å; R48-D91 IonicContact NH1-OD2 3.78Å; R48-D91 PolarHBondContact NH1-OD2 2.77Å; R48-D91 PolarHBondContact NH2-O 2.87Å; R48-D91 IonicContact NH2-OD2 3.49Å; N87-D91 HydrophobicContact CB-CB 3.83Å; N87-D91 PolarHBondContact ND2-OD2 2.6Å; E89-D91 PolarHBondContact O-N 3.33Å
92V93.8Very high95.1Very high2 Ų224.9 Ų24.91%0.01215%0.151CC..  trans-71.4137.2168.6-61.90000111.9W85 G88 V240 F241 R243 H244W85-V92 HydrophobicContact CE3-CG1 4.16Å; W85-V92 HydrophobicContact CH2-CG1 4.31Å; W85-V92 HydrophobicContact CZ3-CG1 3.75Å; G88-V92 WeakPolarHBondContact O-CG1 3.36Å; V92-V240 HydrophobicContact CG1-CB 4.47Å; V92-V240 HydrophobicContact CG1-CG2 4.02Å; V92-V240 HydrophobicContact CG2-CB 4.32Å; V92-V240 HydrophobicContact CG2-CG2 4.37Å; V92-F241 HydrophobicContact CB-CE1 3.85Å; V92-F241 HydrophobicContact CB-CE2 4.24Å; V92-F241 HydrophobicContact CB-CZ 3.67Å; V92-F241 HydrophobicContact CG1-CE2 4.08Å; V92-F241 HydrophobicContact CG1-CZ 3.89Å; V92-F241 HydrophobicContact CG2-CD1 4.26Å; V92-F241 HydrophobicContact CG2-CE1 4.07Å; V92-F241 HydrophobicContact CG2-CZ 4.18Å; V92-R243 PolarHBondContact O-NH2 3.4Å; V92-H244 PolarHBondContact O-NE2 3.26Å
93P95.2Very high95.1Very high13 Ų1324.9 Ų24.98%0.08415%0.151CC..  trans-78.4155.5-177.932.6-33.9000112.1Y83 I84 I248Y83-P93 HydrophobicContact CD1-CG 4.13Å; Y83-P93 HydrophobicContact CE1-CB 3.99Å; Y83-P93 HydrophobicContact CE1-CG 3.91Å; I84-P93 HydrophobicContact CG1-CG 4.38Å; I84-P93 WeakPolarHBondContact O-CD 3.27Å; P93-I248 HydrophobicContact CG-CD1 4.05Å
94S94.1Very high95.1Very high58 Ų5824.4 Ų24.441%0.40615%0.149SC..SBendtrans-87-17.4175.558.40000113.7I249S94-I249 PolarHBondContact O-N 3.36Å
95S95.9Very high95.2Very high15 Ų1526 Ų2611%0.10516%0.159CC..EExtended strand (participates in β ladder)trans-145.8152.6-177.570.20000112.8Y83 I249 K251Y83-S95 WeakPolarHBondContact CE1-O 3.49Å; S95-I249 CarbonylContact C-O 3.55Å; S95-I249 WeakPolarHBondContact CA-O 3.22Å; S95-K251 WeakPolarHBondContact OG-CE 3.47Å; S95-K251 PolarHBondContact OG-NZ 3.13Å
96L97.3Very high95.3Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-100.6131167.9-170.472.2000109.2V80 Y83 L100 A101 I248 I249 F250 K251V80-L96 HydrophobicContact CG1-CD1 4.29Å; V80-L96 HydrophobicContact CG1-CD2 4.15Å; V80-L96 HydrophobicContact CG2-CD1 4.27Å; V80-L96 HydrophobicContact CG2-CD2 3.93Å; Y83-L96 HydrophobicContact CD1-CD1 3.72Å; Y83-L96 HydrophobicContact CE1-CD1 4.31Å; Y83-L96 HydrophobicContact CG-CD1 4.18Å; L96-L100 HydrophobicContact CD1-CB 4.19Å; L96-L100 HydrophobicContact CD1-CD1 3.95Å; L96-L100 HydrophobicContact CD2-CB 4.23Å; L96-L100 HydrophobicContact CG-CB 4.05Å; L96-A101 HydrophobicContact CB-CB 4.26Å; L96-A101 HydrophobicContact CD2-CB 3.87Å; L96-A101 HydrophobicContact CG-CB 4.13Å; L96-I248 HydrophobicContact CB-CD1 4.23Å; L96-I249 PolarHBondContact N-O 3.28Å; L96-F250 HydrophobicContact CD2-CD1 4.35Å; L96-F250 HydrophobicContact CD2-CE1 3.9Å; L96-F250 HydrophobicContact CD2-CE2 4.31Å; L96-F250 HydrophobicContact CD2-CZ 3.87Å; L96-K251 WeakPolarHBondContact O-CB 3.2Å; L96-K251 PolarHBondContact O-N 2.9Å; L96-K251 VanDerWaalsContact O-N 3.13Å
97P97.8Very high95.4Very high14 Ų1427.9 Ų27.99%0.09117%0.165CC..  trans-66.6152.7-178.328-35.5000112.1E52 Y83 C99 L100 A101E52-P97 HydrophobicContact CG-CB 4.31Å; E52-P97 HydrophobicContact CG-CG 4.19Å; Y83-P97 HydrophobicContact CE2-CG 4.08Å; P97-C99 VanDerWaalsContact C-N 3.27Å; P97-C99 PolarHBondContact O-N 3.36Å; P97-L100 HydrophobicContact CG-CD1 4.1Å; P97-L100 HydrophobicContact CG-CG 4.27Å; P97-L100 PolarHBondContact O-N 2.9Å; P97-A101 WeakPolarHBondContact O-CB 3.11Å; P97-A101 PolarHBondContact O-N 2.87Å
98C97.9Very high95.7Very high54 Ų5424.6 Ų24.637%0.36515%0.148SC..Hα-helixtrans-59.3-36-174.1580000113.3L56 L100 A101 V102 P103 K251L56-C98 WeakPolarHBondContact CD1-O 3.21Å; C98-L100 PolarHBondContact O-N 2.84Å; C98-L100 VanDerWaalsContact O-N 3.09Å; C98-A101 PolarHBondContact O-N 2.97Å; C98-V102 HydrophobicContact CB-CG2 4.21Å; C98-V102 WeakPolarHBondContact O-CB 3.17Å; C98-V102 PolarHBondContact O-N 3.2Å; C98-P103 WeakPolarHBondContact O-CD 3.45Å; C98-K251 VanDerWaalsContact CA-O 3.29Å; C98-K251 WeakPolarHBondContact CA-O 3.41Å; C98-K251 HydrophobicContact CB-CB 4.36Å
99C98.2Very high96.1Very high4 Ų428.2 Ų28.23%0.02717%0.168CC..Hα-helixtrans-59.2-20.3176.760.50000113.8L51 L54 P97 P103L51-C99 PolarHBondContact O-SG 3.04Å; L54-C99 HydrophobicContact CB-CB 4.1Å; L54-C99 WeakPolarHBondContact O-CB 3.15Å; P97-C99 VanDerWaalsContact C-N 3.27Å; P97-C99 PolarHBondContact O-N 3.36Å; C99-P103 WeakPolarHBondContact O-CG 3.39Å
100L98.6Very high96.6Very high0 Ų030.8 Ų30.80%018%0.179CC..Hα-helixtrans-105.4-48.6172.1-61.6-179.7000111.5L51 L54 L76 L79 V80 Y83 L96 P97 C98 V102 P103 Y104L51-L100 HydrophobicContact CB-CD1 4.25Å; L51-L100 HydrophobicContact CD1-CD1 4.13Å; L54-L100 HydrophobicContact CD1-CD2 4.24Å; L76-L100 HydrophobicContact CD2-CD2 4.11Å; L79-L100 HydrophobicContact CB-CD2 3.97Å; L79-L100 HydrophobicContact CD1-CD2 4.08Å; V80-L100 HydrophobicContact CG2-CB 4.23Å; Y83-L100 HydrophobicContact CD2-CD1 4.4Å; Y83-L100 HydrophobicContact CG-CD1 4.34Å; L96-L100 HydrophobicContact CD1-CB 4.19Å; L96-L100 HydrophobicContact CD1-CD1 3.95Å; L96-L100 HydrophobicContact CD2-CB 4.23Å; L96-L100 HydrophobicContact CG-CB 4.05Å; P97-L100 HydrophobicContact CG-CD1 4.1Å; P97-L100 HydrophobicContact CG-CG 4.27Å; P97-L100 PolarHBondContact O-N 2.9Å; C98-L100 PolarHBondContact O-N 2.84Å; C98-L100 VanDerWaalsContact O-N 3.09Å; L100-V102 PolarHBondContact O-N 2.71Å; L100-P103 WeakPolarHBondContact O-CD 3.35Å; L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 3.49Å
101A97.9Very high97.1Very high0 Ų025.9 Ų25.90%015%0.152CC..Hα-helixtrans-61-46.5-171.700000113L96 P97 C98 T105 F250 K251 V253L96-A101 HydrophobicContact CB-CB 4.26Å; L96-A101 HydrophobicContact CD2-CB 3.87Å; L96-A101 HydrophobicContact CG-CB 4.13Å; P97-A101 WeakPolarHBondContact O-CB 3.11Å; P97-A101 PolarHBondContact O-N 2.87Å; C98-A101 PolarHBondContact O-N 2.97Å; A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.31Å; A101-T105 PolarHBondContact O-N 2.89Å; A101-T105 VanDerWaalsContact O-N 3.1Å; A101-T105 PolarHBondContact O-OG1 2.72Å; A101-F250 HydrophobicContact CB-CB 4.02Å; A101-F250 HydrophobicContact CB-CD1 3.66Å; A101-F250 HydrophobicContact CB-CE1 4.36Å; A101-F250 HydrophobicContact CB-CG 4.05Å; A101-K251 WeakPolarHBondContact CB-O 3.18Å; A101-V253 HydrophobicContact CB-CG2 4.36Å
102V98.2Very high97.5Very high23 Ų2324.1 Ų24.114%0.13915%0.151CC..Hα-helixtrans-65.6-60.6-178.2176.10000111.2L56 C98 L100 Y104 T105 E106 V253L56-V102 HydrophobicContact CD1-CB 3.91Å; L56-V102 HydrophobicContact CD1-CG1 4.23Å; L56-V102 HydrophobicContact CD1-CG2 4.43Å; C98-V102 HydrophobicContact CB-CG2 4.21Å; C98-V102 WeakPolarHBondContact O-CB 3.17Å; C98-V102 PolarHBondContact O-N 3.2Å; L100-V102 PolarHBondContact O-N 2.71Å; V102-Y104 VanDerWaalsContact C-N 3.3Å; V102-Y104 PolarHBondContact O-N 3.05Å; V102-T105 PolarHBondContact O-N 3.33Å; V102-E106 HydrophobicContact CG1-CG 4.49Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.27Å; V102-E106 WeakPolarHBondContact O-CG 3.45Å; V102-E106 PolarHBondContact O-N 2.88Å; V102-V253 HydrophobicContact CB-CG2 4.36Å; V102-V253 HydrophobicContact CG2-CG2 3.86Å
103P98.5Very high97.7Very high0 Ų024.4 Ų24.40%015%0.152CC..Hα-helixtrans-64.7-34.4-176.725.3-35000112.5W31 T59 L76 C98 C99 L100 T105 E106 I107W31-P103 HydrophobicContact CH2-CB 3.88Å; W31-P103 HydrophobicContact CZ2-CB 3.59Å; W31-P103 HydrophobicContact CZ2-CG 3.87Å; T59-P103 HydrophobicContact CG2-CB 3.53Å; L76-P103 HydrophobicContact CD1-CB 3.98Å; L76-P103 HydrophobicContact CD1-CG 4.33Å; L76-P103 HydrophobicContact CD2-CG 4.23Å; C98-P103 WeakPolarHBondContact O-CD 3.45Å; C99-P103 WeakPolarHBondContact O-CG 3.39Å; L100-P103 WeakPolarHBondContact O-CD 3.35Å; P103-T105 PolarHBondContact O-N 3.38Å; P103-E106 PolarHBondContact O-N 2.91Å; P103-I107 WeakPolarHBondContact O-CB 3.44Å; P103-I107 WeakPolarHBondContact O-CD1 3.33Å; P103-I107 VanDerWaalsContact O-CG1 3.29Å; P103-I107 WeakPolarHBondContact O-CG1 3.47Å; P103-I107 PolarHBondContact O-N 3.48Å
104Y98.5Very high97.8Very high0 Ų026.8 Ų26.80%016%0.164CC..Hα-helixtrans-65.3-39.6177.7-172.4-127.3000112.2H73 L76 V80 L100 V102 S108 V115 G116H73-Y104 AromaticContact CD2-CD2 3.97Å; H73-Y104 AromaticContact CD2-CE2 3.6Å; H73-Y104 AromaticContact CE1-CE2 3.51Å; H73-Y104 AromaticContact CE1-CZ 3.89Å; H73-Y104 AromaticContact NE2-CD2 3.95Å; H73-Y104 AromaticContact NE2-CE2 3.22Å; H73-Y104 WeakPolarHBondContact NE2-CE2 3.49Å; H73-Y104 AromaticContact NE2-CZ 3.72Å; L76-Y104 HydrophobicContact CB-CD2 3.72Å; L76-Y104 HydrophobicContact CB-CE2 4.49Å; L76-Y104 HydrophobicContact CB-CG 4.37Å; V80-Y104 HydrophobicContact CG1-CE1 4.32Å; V80-Y104 HydrophobicContact CG2-CD1 3.95Å; V80-Y104 HydrophobicContact CG2-CE1 4.37Å; V80-Y104 HydrophobicContact CG2-CG 4.14Å; L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 3.49Å; V102-Y104 VanDerWaalsContact C-N 3.3Å; V102-Y104 PolarHBondContact O-N 3.05Å; Y104-S108 WeakPolarHBondContact O-CB 3.31Å; Y104-S108 PolarHBondContact O-N 3.12Å; Y104-S108 PolarHBondContact O-OG 3.2Å; Y104-V115 HydrophobicContact CD1-CG1 3.58Å; Y104-V115 HydrophobicContact CE1-CG1 3.44Å; Y104-V115 VanDerWaalsContact CE1-CG1 3.44Å; Y104-G116 WeakPolarHBondContact CE1-O 3.32Å; Y104-G116 PolarHBondContact OH-O 2.62Å
105T98Very high97.9Very high34 Ų3425.6 Ų25.621%0.20915%0.154CC..Hα-helixtrans-66.8-47.7175-570000111.3A101 V102 P103 I107 S108 C109 V115 V253A101-T105 VanDerWaalsContact O-CB 3.31Å; A101-T105 WeakPolarHBondContact O-CB 3.31Å; A101-T105 PolarHBondContact O-N 2.89Å; A101-T105 VanDerWaalsContact O-N 3.1Å; A101-T105 PolarHBondContact O-OG1 2.72Å; V102-T105 PolarHBondContact O-N 3.33Å; P103-T105 PolarHBondContact O-N 3.38Å; T105-I107 PolarHBondContact O-N 3.43Å; T105-S108 PolarHBondContact O-N 2.84Å; T105-C109 PolarHBondContact O-N 3.47Å; T105-V115 HydrophobicContact CG2-CG2 4.09Å; T105-V253 HydrophobicContact CG2-CG1 3.81Å
106E98.1Very high97.9Very high66 Ų6624.9 Ų24.931%0.30815%0.149SC..Hα-helixtrans-60.3-44179.9-72177.2175.900112.3T59 V102 P103 C109 K110T59-E106 HydrophobicContact CG2-CB 4.43Å; T59-E106 WeakPolarHBondContact CG2-OE2 3.48Å; T59-E106 PolarHBondContact OG1-OE2 3.16Å; V102-E106 HydrophobicContact CG1-CG 4.49Å; V102-E106 WeakPolarHBondContact CG1-OE1 3.27Å; V102-E106 WeakPolarHBondContact O-CG 3.45Å; V102-E106 PolarHBondContact O-N 2.88Å; P103-E106 PolarHBondContact O-N 2.91Å; E106-C109 WeakPolarHBondContact O-CB 3.35Å; E106-C109 PolarHBondContact O-N 3.1Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å; E106-K110 PolarHBondContact O-N 3.34Å
107I98.6Very high97.9Very high0 Ų024.9 Ų24.90%015%0.149CC..Hα-helixtrans-68.3-39.6178.2-68.6161.9000110.8W31 T59 L62 L69 A72 H73 L76 P103 T105 C109 K110 L111W31-I107 HydrophobicContact CH2-CD1 4.21Å; W31-I107 HydrophobicContact CZ3-CD1 4.24Å; T59-I107 HydrophobicContact CG2-CD1 3.86Å; T59-I107 HydrophobicContact CG2-CG1 3.91Å; L62-I107 HydrophobicContact CD1-CD1 4.2Å; L69-I107 HydrophobicContact CB-CG2 4.48Å; L69-I107 HydrophobicContact CD2-CG1 4.34Å; L69-I107 HydrophobicContact CD2-CG2 4.25Å; L69-I107 WeakPolarHBondContact O-CG2 3.48Å; A72-I107 HydrophobicContact CB-CD1 3.7Å; H73-I107 HydrophobicContact CB-CG2 3.78Å; L76-I107 HydrophobicContact CD1-CD1 3.51Å; P103-I107 WeakPolarHBondContact O-CB 3.44Å; P103-I107 WeakPolarHBondContact O-CD1 3.33Å; P103-I107 VanDerWaalsContact O-CG1 3.29Å; P103-I107 WeakPolarHBondContact O-CG1 3.47Å; P103-I107 PolarHBondContact O-N 3.48Å; T105-I107 PolarHBondContact O-N 3.43Å; I107-C109 VanDerWaalsContact C-N 3.31Å; I107-C109 PolarHBondContact O-N 3Å; I107-K110 PolarHBondContact O-N 3.26Å; I107-L111 HydrophobicContact CG2-CD1 4.03Å; I107-L111 HydrophobicContact CG2-CG 4.45Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.11Å; I107-L111 PolarHBondContact O-N 3.13Å
108S98.4Very high97.9Very high1 Ų124.2 Ų24.21%0.00715%0.145CC..Hα-helixtrans-59.4-44.4174.3-58.30000110.9H73 Y104 T105 K110 L111 G112 I113H73-S108 PolarHBondContact CD2-OG 2.94Å; H73-S108 PolarHBondContact NE2-OG 2.67Å; Y104-S108 WeakPolarHBondContact O-CB 3.31Å; Y104-S108 PolarHBondContact O-N 3.12Å; Y104-S108 PolarHBondContact O-OG 3.2Å; T105-S108 PolarHBondContact O-N 2.84Å; S108-K110 PolarHBondContact O-N 3.27Å; S108-L111 CarbonylContact O-C 3.37Å; S108-L111 PolarHBondContact O-N 3.36Å; S108-G112 PolarHBondContact O-N 3.5Å; S108-I113 CarbonylContact C-O 3.58Å; S108-I113 WeakPolarHBondContact CB-O 3.33Å; S108-I113 PolarHBondContact O-N 3.34Å; S108-I113 VanDerWaalsContact O-O 3.08Å
109C97.6Very high97.9Very high100 Ų10021.7 Ų21.768%0.67613%0.128SC*.Hα-helixtrans-60.7-45.4174.7-173.50000112.2T105 E106 I107 L111 G112T105-C109 PolarHBondContact O-N 3.47Å; E106-C109 WeakPolarHBondContact O-CB 3.35Å; E106-C109 PolarHBondContact O-N 3.1Å; I107-C109 VanDerWaalsContact C-N 3.31Å; I107-C109 PolarHBondContact O-N 3Å; C109-L111 VanDerWaalsContact C-N 3.28Å; C109-L111 PolarHBondContact O-N 3.07Å; C109-G112 WeakPolarHBondContact O-CA 3.24Å; C109-G112 PolarHBondContact O-N 2.86Å
110K98.1Very high97.9Very high81 Ų8122 Ų2235%0.35213%0.129SC..Hα-helixtrans-63-32.7177.3-74.9169.3178.81650112.9T59 A63 L69 E106 I107 S108 G112T59-K110 PolarHBondContact O-NZ 3.01Å; T59-K110 PolarHBondContact OG1-NZ 3.45Å; A63-K110 HydrophobicContact CB-CD 4.37Å; L69-K110 HydrophobicContact CD1-CB 4.06Å; L69-K110 HydrophobicContact CD2-CB 4.06Å; L69-K110 HydrophobicContact CD2-CD 3.93Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å; E106-K110 PolarHBondContact O-N 3.34Å; I107-K110 PolarHBondContact O-N 3.26Å; S108-K110 PolarHBondContact O-N 3.27Å; K110-G112 VanDerWaalsContact C-N 3.29Å
111L98.2Very high97.9Very high9 Ų922.2 Ų22.25%0.04713%0.13CC..Hα-helixtrans-79-11.4172.9-71.3172.2000113.2L69 R70 H73 I107 S108 C109 I113 L300 P301L69-L111 HydrophobicContact CB-CD2 3.77Å; L69-L111 HydrophobicContact CB-CG 4.15Å; L69-L111 HydrophobicContact CD1-CD2 4.48Å; R70-L111 HydrophobicContact CG-CD2 4.11Å; H73-L111 HydrophobicContact CB-CD1 3.77Å; I107-L111 HydrophobicContact CG2-CD1 4.03Å; I107-L111 HydrophobicContact CG2-CG 4.45Å; I107-L111 WeakPolarHBondContact O-CB 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.11Å; I107-L111 PolarHBondContact O-N 3.13Å; S108-L111 CarbonylContact O-C 3.37Å; S108-L111 PolarHBondContact O-N 3.36Å; C109-L111 VanDerWaalsContact C-N 3.28Å; C109-L111 PolarHBondContact O-N 3.07Å; L111-I113 HydrophobicContact CB-CD1 4.3Å; L111-I113 HydrophobicContact CB-CG1 4.06Å; L111-I113 HydrophobicContact CD1-CD1 4.26Å; L111-L300 HydrophobicContact CB-CD2 4.25Å; L111-L300 HydrophobicContact CD2-CD2 4.26Å; L111-P301 WeakPolarHBondContact O-CD 3.48Å
112G98.1Very high97.9Very high33 Ų3322.3 Ų22.334%0.3413%0.131SC..THydrogen-bonded Turntrans70.830.7-177.100000113.6S108 C109 K110 R304S108-G112 PolarHBondContact O-N 3.5Å; C109-G112 WeakPolarHBondContact O-CA 3.24Å; C109-G112 PolarHBondContact O-N 2.86Å; K110-G112 VanDerWaalsContact C-N 3.29Å; G112-R304 PolarHBondContact O-NH2 2.98Å
113I98.2Very high97.9Very high8 Ų821.5 Ų21.54%0.04113%0.126CC..  trans-121.3154.4178.765.8178000111.2S108 L111 T121 R297 M299 L300S108-I113 CarbonylContact C-O 3.58Å; S108-I113 WeakPolarHBondContact CB-O 3.33Å; S108-I113 PolarHBondContact O-N 3.34Å; S108-I113 VanDerWaalsContact O-O 3.08Å; L111-I113 HydrophobicContact CB-CD1 4.3Å; L111-I113 HydrophobicContact CB-CG1 4.06Å; L111-I113 HydrophobicContact CD1-CD1 4.26Å; I113-T121 HydrophobicContact CD1-CG2 3.74Å; I113-R297 WeakPolarHBondContact CA-O 3.07Å; I113-M299 WeakPolarHBondContact CG2-O 3.25Å; I113-L300 HydrophobicContact CG2-CD2 4.2Å
114D97.6Very high97.9Very high63 Ų6321.6 Ų21.634%0.33713%0.127SC..  trans-70.7149.9172.3-79.120.9000111G116 R297 F298D114-G116 PolarHBondContact O-N 3.46Å; D114-R297 HydrophobicContact CB-CB 4.32Å; D114-R297 HydrophobicContact CB-CG 3.96Å; D114-R297 PolarHBondContact N-O 2.98Å; D114-R297 WeakPolarHBondContact OD2-CD 3.46Å; D114-R297 WeakPolarHBondContact OD2-CG 3.48Å; D114-R297 IonicContact OD2-CZ 2.77Å; D114-R297 IonicContact OD2-NE 2.6Å; D114-R297 IonicContact OD2-NH1 3.74Å; D114-R297 PolarHBondContact OD2-NH1 3.47Å; D114-F298 HydrophobicContact CB-CD1 3.98Å; D114-F298 HydrophobicContact CB-CE1 3.54Å; D114-F298 HydrophobicContact CB-CZ 4.09Å; D114-F298 WeakPolarHBondContact O-CD1 3.14Å
115V96.9Very high97.8Very high32 Ų3221.8 Ų21.819%0.19413%0.128CC..  trans-67.7125.9170.7-172.70000109.2Y104 T105 F250 L262Y104-V115 HydrophobicContact CD1-CG1 3.58Å; Y104-V115 HydrophobicContact CE1-CG1 3.44Å; Y104-V115 VanDerWaalsContact CE1-CG1 3.44Å; T105-V115 HydrophobicContact CG2-CG2 4.09Å; V115-F250 HydrophobicContact CG1-CE1 3.72Å; V115-F250 HydrophobicContact CG1-CZ 3.69Å; V115-L262 HydrophobicContact CB-CD2 4.21Å; V115-L262 HydrophobicContact CG1-CD2 3.8Å
116G96.2Very high97.8Very high0 Ų020.3 Ų20.30%012%0.119CC..  trans-145.4178.717900000112.3Y104 D114Y104-G116 WeakPolarHBondContact CE1-O 3.32Å; Y104-G116 PolarHBondContact OH-O 2.62Å; D114-G116 PolarHBondContact O-N 3.46Å
117I97.1Very high97.8Very high1 Ų117.3 Ų17.31%0.00511%0.105CC..SBendtrans-94.8130.9170.5-59-59.6000108.5V80 I84 P119 F232 S234 L262 I263 G264 G265V80-I117 HydrophobicContact CG1-CD1 3.91Å; I84-I117 HydrophobicContact CD1-CD1 3.55Å; I117-P119 VanDerWaalsContact C-CD 3.46Å; I117-P119 VanDerWaalsContact C-N 3.35Å; I117-F232 VanDerWaalsContact CG2-O 3.27Å; I117-F232 WeakPolarHBondContact CG2-O 3.41Å; I117-S234 WeakPolarHBondContact CG2-O 3.44Å; I117-L262 HydrophobicContact CD1-CB 4.43Å; I117-L262 HydrophobicContact CD1-CD1 3.56Å; I117-L262 HydrophobicContact CG1-CB 4Å; I117-L262 HydrophobicContact CG1-CD1 4.06Å; I117-I263 PolarHBondContact N-O 3.22Å; I117-G264 CarbonylContact O-C 3.3Å; I117-G265 WeakPolarHBondContact O-CA 3.39Å; I117-G265 PolarHBondContact O-N 2.91Å
118A96.8Very high97.8Very high0 Ų017.5 Ų17.50%011%0.106CC..SBendtrans41.95217900000114.4H120 V123 F151 L233 G265A118-H120 PolarHBondContact O-N 2.76Å; A118-V123 HydrophobicContact CB-CG1 3.99Å; A118-V123 HydrophobicContact CB-CG2 4.18Å; A118-V123 WeakPolarHBondContact O-CG2 3.3Å; A118-F151 HydrophobicContact CB-CE1 4.4Å; A118-F151 HydrophobicContact CB-CE2 3.86Å; A118-F151 HydrophobicContact CB-CZ 3.51Å; A118-L233 HydrophobicContact CB-CD2 3.72Å; A118-G265 VanDerWaalsContact O-CA 3.24Å; A118-G265 WeakPolarHBondContact O-CA 3.49Å
119P97.7Very high97.7Very high0 Ų021.7 Ų21.70%012%0.124CC..  trans-56.8137.9-176.8-25.838.2000111.1I117 T121 T122 V123I117-P119 VanDerWaalsContact C-CD 3.46Å; I117-P119 VanDerWaalsContact C-N 3.35Å; P119-T121 HydrophobicContact CB-CG2 4.31Å; P119-T121 PolarHBondContact O-N 3.36Å; P119-T122 WeakPolarHBondContact O-CA 3.42Å; P119-T122 VanDerWaalsContact O-CB 3.27Å; P119-T122 WeakPolarHBondContact O-CB 3.43Å; P119-T122 PolarHBondContact O-N 3.09Å; P119-V123 PolarHBondContact O-N 3.05Å
120H98.3Very high97.5Very high12 Ų1219.3 Ų19.36%0.05611%0.106CC..Hα-helixtrans-57.5-37.7-174.7-169.586.1000112.5A118 T122 A124 L125 E170 Q269A118-H120 PolarHBondContact O-N 2.76Å; H120-T122 PolarHBondContact O-N 2.67Å; H120-A124 VanDerWaalsContact CE1-CB 3.47Å; H120-A124 WeakPolarHBondContact CE1-CB 3.42Å; H120-A124 WeakPolarHBondContact O-CB 3.26Å; H120-A124 PolarHBondContact O-N 2.81Å; H120-A124 VanDerWaalsContact O-N 3.08Å; H120-L125 PolarHBondContact O-N 2.85Å; H120-L125 VanDerWaalsContact O-N 3.13Å; H120-E170 IonicContact CD2-OE1 3.71Å; H120-E170 IonicContact CE1-OE1 2.69Å; H120-E170 PolarHBondContact CE1-OE1 3.36Å; H120-E170 IonicContact NE2-OE1 3.66Å; H120-E170 PolarHBondContact NE2-OE1 2.93Å; H120-Q269 HydrophobicContact CB-CB 3.74Å
121T98Very high97.4Very high4 Ų417.9 Ų17.93%0.02510%0.1CC..Hα-helixtrans-59.1-19.3174.8-165.30000113.5R70 I113 P119 F298R70-T121 PolarHBondContact NH2-O 2.75Å; I113-T121 HydrophobicContact CD1-CG2 3.74Å; P119-T121 HydrophobicContact CB-CG2 4.31Å; P119-T121 PolarHBondContact O-N 3.36Å; T121-F298 VanDerWaalsContact CG2-O 3.27Å; T121-F298 WeakPolarHBondContact CG2-O 3.29Å
122T98.3Very high97.1Very high1 Ų123.2 Ų23.21%0.00614%0.135CC..Hα-helixtrans-101.1-61.2-177.5-55.40000110.6H73 L74 P119 H120H73-T122 HydrophobicContact CB-CG2 4.45Å; H73-T122 PolarHBondContact CE1-OG1 3.1Å; H73-T122 VanDerWaalsContact ND1-CG2 3.31Å; H73-T122 WeakPolarHBondContact ND1-CG2 3.3Å; H73-T122 PolarHBondContact ND1-OG1 3.48Å; L74-T122 HydrophobicContact CB-CG2 3.81Å; L74-T122 HydrophobicContact CD1-CG2 4.07Å; P119-T122 WeakPolarHBondContact O-CA 3.42Å; P119-T122 VanDerWaalsContact O-CB 3.27Å; P119-T122 WeakPolarHBondContact O-CB 3.43Å; P119-T122 PolarHBondContact O-N 3.09Å; H120-T122 PolarHBondContact O-N 2.67Å
123V98.4Very high96.6Very high6 Ų625.8 Ų25.84%0.03616%0.162CC..Hα-helixtrans-81.3-21.2-169.8-580000113.8L74 A118 P119 N127 F151 F163L74-V123 HydrophobicContact CD1-CG1 4.49Å; A118-V123 HydrophobicContact CB-CG1 3.99Å; A118-V123 HydrophobicContact CB-CG2 4.18Å; A118-V123 WeakPolarHBondContact O-CG2 3.3Å; P119-V123 PolarHBondContact O-N 3.05Å; V123-N127 VanDerWaalsContact O-CB 3.25Å; V123-N127 WeakPolarHBondContact O-CB 3.26Å; V123-F151 HydrophobicContact CB-CD2 4.41Å; V123-F151 HydrophobicContact CB-CG 4.4Å; V123-F151 HydrophobicContact CG1-CD1 4.45Å; V123-F151 HydrophobicContact CG1-CD2 3.46Å; V123-F151 VanDerWaalsContact CG1-CD2 3.46Å; V123-F151 HydrophobicContact CG1-CE2 3.62Å; V123-F151 HydrophobicContact CG1-CG 3.92Å; V123-F151 HydrophobicContact CG1-CZ 4.2Å; V123-F163 HydrophobicContact CB-CD1 4.13Å; V123-F163 HydrophobicContact CB-CE1 3.85Å; V123-F163 HydrophobicContact CG2-CD1 4.07Å; V123-F163 HydrophobicContact CG2-CE1 3.64Å; V123-F163 WeakPolarHBondContact O-CD1 3.42Å
124A97.9Very high96.1Very high3 Ų327.5 Ų27.53%0.02517%0.174CC..THydrogen-bonded Turntrans-103.8-48.7176.300000111.6H120 A126 T166H120-A124 VanDerWaalsContact CE1-CB 3.47Å; H120-A124 WeakPolarHBondContact CE1-CB 3.42Å; H120-A124 WeakPolarHBondContact O-CB 3.26Å; H120-A124 PolarHBondContact O-N 2.81Å; H120-A124 VanDerWaalsContact O-N 3.08Å; A124-A126 PolarHBondContact O-N 3.4Å; A124-T166 HydrophobicContact CB-CG2 4.25Å
125L98.2Very high95.2Very high4 Ų429.8 Ų29.82%0.02119%0.19CC..THydrogen-bonded Turntrans-87.6-0.9-169.1-56.6-175.4000115.5F15 V16 L17 H120 E170F15-L125 HydrophobicContact CB-CD1 3.94Å; V16-L125 HydrophobicContact CG2-CD2 4.01Å; L17-L125 PolarHBondContact N-O 3.33Å; H120-L125 PolarHBondContact O-N 2.85Å; H120-L125 VanDerWaalsContact O-N 3.13Å; L125-E170 HydrophobicContact CD2-CB 3.89Å; L125-E170 HydrophobicContact CD2-CG 3.69Å
126A97.9Very high94.1Very high3 Ų332.4 Ų32.43%0.02520%0.203CC..SBendtrans-142.14.3-179.600000114.5L17 A124L17-A126 HydrophobicContact CB-CB 4.12Å; L17-A126 HydrophobicContact CD2-CB 4.02Å; A124-A126 PolarHBondContact O-N 3.4Å
127N98.4Very high92.7Very high2 Ų234.5 Ų34.51%0.01122%0.218CC..  trans-105.965.9-171.3-17322.6000111.9L74 V123 L148 L149 H150L74-N127 HydrophobicContact CD1-CB 3.85Å; L74-N127 HydrophobicContact CD2-CB 3.86Å; L74-N127 WeakPolarHBondContact CD2-OD1 3.44Å; V123-N127 VanDerWaalsContact O-CB 3.25Å; V123-N127 WeakPolarHBondContact O-CB 3.26Å; N127-L148 WeakPolarHBondContact O-CD2 3.4Å; N127-L149 WeakPolarHBondContact OD1-CB 3.38Å; N127-L149 PolarHBondContact OD1-N 2.92Å; N127-H150 PolarHBondContact ND2-O 3.17Å; N127-H150 PolarHBondContact OD1-N 3.43Å; N127-H150 PolarHBondContact OD1-O 3.22Å
128Y97.6Very high90.9Very high5 Ų537.8 Ų37.82%0.0224%0.241CC..  trans-151.6153.5178.276.1-73.6000111.8V16 L17 P20 F141 Y146 D147 L149 L167V16-Y128 HydrophobicContact CG1-CD1 4.27Å; V16-Y128 HydrophobicContact CG1-CE1 3.52Å; L17-Y128 WeakPolarHBondContact O-CE1 3.4Å; L17-Y128 PolarHBondContact O-OH 3.37Å; P20-Y128 HydrophobicContact CG-CD1 3.9Å; P20-Y128 HydrophobicContact CG-CE1 3.69Å; P20-Y128 HydrophobicContact CG-CG 4.46Å; P20-Y128 WeakPolarHBondContact CG-O 3.39Å; Y128-F141 HydrophobicContact CD2-CE2 4.49Å; Y128-F141 HydrophobicContact CE2-CE2 4.36Å; Y128-Y146 AromaticContact CD2-CD1 3.58Å; Y128-Y146 HydrophobicContact CD2-CD1 3.58Å; Y128-Y146 AromaticContact CD2-CE1 3.82Å; Y128-Y146 HydrophobicContact CD2-CE1 3.82Å; Y128-Y146 HydrophobicContact CD2-CG 4.34Å; Y128-Y146 HydrophobicContact CE2-CD1 4.21Å; Y128-Y146 AromaticContact CE2-CE1 3.96Å; Y128-Y146 HydrophobicContact CE2-CE1 3.96Å; Y128-D147 CarbonylContact C-O 3.53Å; Y128-D147 WeakPolarHBondContact CA-O 3.36Å; Y128-L149 WeakPolarHBondContact O-CD1 3.17Å; Y128-L167 VanDerWaalsContact CB-CD2 3.48Å; Y128-L167 HydrophobicContact CD1-CD2 3.87Å; Y128-L167 HydrophobicContact CD2-CD2 4.16Å; Y128-L167 HydrophobicContact CG-CD2 3.57Å
129K96Very high89.2Confident89 Ų8947.3 Ų47.339%0.38728%0.283SS..EExtended strand (participates in β ladder)trans-145.2151.1168.161.2171.8-178.11780109.3Y146 D147 L149K129-Y146 CarbonylContact O-C 3.59Å; K129-Y146 VanDerWaalsContact O-CA 3.22Å; K129-Y146 WeakPolarHBondContact O-CA 3.45Å; K129-Y146 WeakPolarHBondContact O-CB 3.4Å; K129-D147 HydrophobicContact CG-CB 4.02Å; K129-D147 PolarHBondContact N-O 3.02Å; K129-D147 PolarHBondContact O-N 3.24Å; K129-L149 HydrophobicContact CB-CD2 3.93Å; K129-L149 HydrophobicContact CB-CG 4.32Å; K129-L149 HydrophobicContact CD-CD2 4.05Å; K129-L149 HydrophobicContact CG-CD2 4.18Å
130V94.6Very high88.3Confident50 Ų5050.7 Ų50.730%0.30331%0.307SS..EExtended strand (participates in β ladder)trans-67134.7177.1-174.70000109C134 D136 Y146V130-C134 HydrophobicContact CG1-CB 3.89Å; V130-C134 WeakPolarHBondContact CG1-O 3.47Å; V130-D136 HydrophobicContact CG2-CB 3.88Å; V130-Y146 HydrophobicContact CB-CD1 4.48Å; V130-Y146 HydrophobicContact CB-CE1 4.46Å; V130-Y146 HydrophobicContact CG2-CD1 4.12Å; V130-Y146 HydrophobicContact CG2-CE1 3.71Å
131K94.4Very high87.9Confident51 Ų5150.9 Ų50.922%0.22231%0.307CS..PPolyproline II helixtrans-63.6145.5173.8-81.8176.1178.31660111G133 C134 E144 N145 Y146 D147K131-G133 PolarHBondContact O-N 3.07Å; K131-C134 HydrophobicContact CB-CB 4.23Å; K131-C134 WeakPolarHBondContact O-CB 2.96Å; K131-C134 PolarHBondContact O-N 3.4Å; K131-E144 WeakPolarHBondContact CD-O 3.4Å; K131-E144 WeakPolarHBondContact CE-O 3.18Å; K131-E144 PolarHBondContact NZ-O 3.17Å; K131-N145 WeakPolarHBondContact CB-O 3.47Å; K131-N145 PolarHBondContact N-O 3.29Å; K131-Y146 WeakPolarHBondContact CE-O 3.17Å; K131-D147 WeakPolarHBondContact CE-OD1 3.43Å; K131-D147 HydrophobicContact CG-CB 4.46Å; K131-D147 WeakPolarHBondContact CG-OD1 3.27Å; K131-D147 WeakPolarHBondContact CG-OD2 3.46Å
132P91.8Very high87.7Confident120 Ų12052.7 Ų52.778%0.77932%0.317SS*.THydrogen-bonded Turntrans-53.2129.8171-24.834.3000111.5C134P132-C134 VanDerWaalsContact C-N 3.28Å; P132-C134 PolarHBondContact O-N 3.06Å
133G89Confident87.6Confident88 Ų8852.6 Ų52.691%0.90732%0.316SS*.THydrogen-bonded Turntrans84.7-11.7-17900000115.3K131K131-G133 PolarHBondContact O-N 3.07Å
134C87.5Confident87.5Confident44 Ų4455.9 Ų55.930%0.29733%0.331SS..  trans-85.4154.6168.9-64.60000110.4V130 K131 P132 N145V130-C134 HydrophobicContact CG1-CB 3.89Å; V130-C134 WeakPolarHBondContact CG1-O 3.47Å; K131-C134 HydrophobicContact CB-CB 4.23Å; K131-C134 WeakPolarHBondContact O-CB 2.96Å; K131-C134 PolarHBondContact O-N 3.4Å; P132-C134 VanDerWaalsContact C-N 3.28Å; P132-C134 PolarHBondContact O-N 3.06Å; C134-N145 HydrophobicContact CB-CB 4.09Å
135T79Confident87.3Confident111 Ų11158.2 Ų58.268%0.68134%0.343SS*.  trans-105.3140.7172.8510000110.1S137T135-S137 VanDerWaalsContact C-N 3.27Å; T135-S137 PolarHBondContact O-N 2.93Å
136D72.5Confident87.3Confident86 Ų8658.2 Ų58.246%0.4634%0.343SS..  trans-71.486.2168.8-165.3-3.5000108V130 Y146V130-D136 HydrophobicContact CG2-CB 3.88Å; D136-Y146 PolarHBondContact OD1-OH 3.46Å
137S67Low87.2Confident45 Ų4560.3 Ų60.332%0.31535%0.354SS..  trans-93.8114.5175.7103.30000108.7T135 F139T135-S137 VanDerWaalsContact C-N 3.27Å; T135-S137 PolarHBondContact O-N 2.93Å; S137-F139 PolarHBondContact O-N 3.17Å
138S60.6Low87.2Confident69 Ų6960.2 Ų60.248%0.48335%0.353SS..THydrogen-bonded Turntrans-68.6-16.7177.661.90000113.5
139F60.8Low87.3Confident200 Ų20060.5 Ų60.588%0.87736%0.355SS*.THydrogen-bonded Turntrans-79-26.7-174.2-68.4-75.6000113.6S137S137-F139 PolarHBondContact O-N 3.17Å
140S77.3Confident87.4Confident72 Ų7256.4 Ų56.450%0.50334%0.337SS..  trans-15095.4175.7-174.30000109.1N142S140-N142 PolarHBondContact O-N 2.9Å
141F91.2Very high87.6Confident15 Ų1554 Ų547%0.06632%0.323CS..  trans-68117171.3-170.2-79.6000108.6L13 Y128 Y146 L167 E168 V171L13-F141 HydrophobicContact CD2-CD2 4.36Å; Y128-F141 HydrophobicContact CD2-CE2 4.49Å; Y128-F141 HydrophobicContact CE2-CE2 4.36Å; F141-Y146 HydrophobicContact CD1-CE2 4.16Å; F141-Y146 AromaticContact CD2-CE2 3.68Å; F141-Y146 HydrophobicContact CD2-CE2 3.68Å; F141-Y146 AromaticContact CD2-CZ 3.71Å; F141-Y146 WeakPolarHBondContact CD2-OH 3.44Å; F141-Y146 AromaticContact CE1-CD2 3.95Å; F141-Y146 HydrophobicContact CE1-CD2 3.95Å; F141-Y146 AromaticContact CE1-CE2 3.85Å; F141-Y146 HydrophobicContact CE1-CE2 3.85Å; F141-Y146 AromaticContact CE2-CD2 3.94Å; F141-Y146 HydrophobicContact CE2-CD2 3.94Å; F141-Y146 AromaticContact CE2-CE1 3.94Å; F141-Y146 HydrophobicContact CE2-CE1 3.94Å; F141-Y146 AromaticContact CE2-CE2 3.33Å; F141-Y146 HydrophobicContact CE2-CE2 3.33Å; F141-Y146 HydrophobicContact CE2-CG 4.49Å; F141-Y146 AromaticContact CE2-CZ 3.33Å; F141-Y146 HydrophobicContact CG-CE2 4.08Å; F141-Y146 AromaticContact CZ-CD2 3.54Å; F141-Y146 HydrophobicContact CZ-CD2 3.54Å; F141-Y146 HydrophobicContact CZ-CE1 4.38Å; F141-Y146 AromaticContact CZ-CE2 3.41Å; F141-Y146 HydrophobicContact CZ-CE2 3.41Å; F141-Y146 VanDerWaalsContact CZ-CE2 3.41Å; F141-Y146 HydrophobicContact CZ-CG 4.12Å; F141-Y146 AromaticContact CZ-CZ 3.86Å; F141-L167 HydrophobicContact CE1-CD2 4.25Å; F141-L167 HydrophobicContact CE1-CG 4.04Å; F141-L167 HydrophobicContact CE2-CD2 4.43Å; F141-L167 HydrophobicContact CZ-CD2 3.56Å; F141-L167 HydrophobicContact CZ-CG 3.7Å; F141-E168 HydrophobicContact CD1-CB 3.94Å; F141-E168 HydrophobicContact CD1-CG 4.06Å; F141-E168 HydrophobicContact CE1-CB 4.08Å; F141-V171 HydrophobicContact CB-CB 4.25Å; F141-V171 HydrophobicContact CB-CG1 3.59Å; F141-V171 HydrophobicContact CD1-CB 4.37Å; F141-V171 HydrophobicContact CD1-CG2 4.29Å; F141-V171 HydrophobicContact CD2-CB 4.39Å; F141-V171 HydrophobicContact CD2-CG1 4.1Å; F141-V171 HydrophobicContact CD2-CG2 3.89Å; F141-V171 HydrophobicContact CE1-CG2 4.46Å; F141-V171 HydrophobicContact CE2-CG2 4.06Å; F141-V171 HydrophobicContact CG-CB 4.08Å; F141-V171 HydrophobicContact CG-CG1 3.85Å; F141-V171 HydrophobicContact CG-CG2 4.02Å; F141-V171 HydrophobicContact CZ-CG2 4.36Å
142N94.1Very high87.7Confident42 Ų4254 Ų5423%0.22532%0.322CS..  trans-116.4119.5172.8-179.4-13.4000108.7S140 E144 N145 Y146 R215S140-N142 PolarHBondContact O-N 2.9Å; N142-E144 PolarHBondContact ND2-OE2 3.36Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 VanDerWaalsContact O-N 3.08Å; N142-E144 WeakPolarHBondContact OD1-CB 3.25Å; N142-E144 PolarHBondContact OD1-N 2.89Å; N142-E144 PolarHBondContact OD1-OE2 3.24Å; N142-N145 WeakPolarHBondContact O-CB 3.49Å; N142-N145 PolarHBondContact O-N 3.49Å; N142-Y146 WeakPolarHBondContact O-CD2 3.47Å; N142-Y146 WeakPolarHBondContact O-CE2 3.09Å; N142-R215 PolarHBondContact OD1-NH2 3.23Å
143A95.8Very high88Confident0 Ų048.5 Ų48.50%029%0.287CS..G310 helixtrans-49.9-33.2178.100000114N145 Y146 W161 L164 E168A143-N145 PolarHBondContact O-N 2.76Å; A143-Y146 PolarHBondContact O-N 3.33Å; A143-W161 HydrophobicContact CB-CH2 3.98Å; A143-W161 HydrophobicContact CB-CZ3 3.78Å; A143-L164 HydrophobicContact CB-CB 4.06Å; A143-L164 WeakPolarHBondContact CB-O 3.23Å; A143-E168 HydrophobicContact CB-CB 4.16Å; A143-E168 WeakPolarHBondContact CB-OE2 3.45Å; A143-E168 PolarHBondContact N-OE2 3.37Å; A143-E168 VanDerWaalsContact N-OE2 3.13Å
144E95.3Very high88.4Confident75 Ų7545 Ų4535%0.3525%0.247SC..G310 helixtrans-66.9-18.7-178.1-66.4166.9105.400113.4K131 N142 Y146 W161 R215K131-E144 WeakPolarHBondContact CD-O 3.4Å; K131-E144 WeakPolarHBondContact CE-O 3.18Å; K131-E144 PolarHBondContact NZ-O 3.17Å; N142-E144 PolarHBondContact ND2-OE2 3.36Å; N142-E144 PolarHBondContact O-N 3.06Å; N142-E144 VanDerWaalsContact O-N 3.08Å; N142-E144 WeakPolarHBondContact OD1-CB 3.25Å; N142-E144 PolarHBondContact OD1-N 2.89Å; N142-E144 PolarHBondContact OD1-OE2 3.24Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.02Å; E144-W161 HydrophobicContact CG-CH2 3.78Å; E144-W161 HydrophobicContact CG-CZ3 3.69Å; E144-R215 IonicContact OE2-CZ 2.9Å; E144-R215 IonicContact OE2-NH1 2.72Å; E144-R215 IonicContact OE2-NH2 2.6Å; E144-R215 PolarHBondContact OE2-NH2 3.02Å
145N95.3Very high88.8Confident52 Ų5249.1 Ų49.128%0.27827%0.266SS..G310 helixtrans-853.4179.3-68.8-19.3000113.7K131 C134 N142 A143K131-N145 WeakPolarHBondContact CB-O 3.47Å; K131-N145 PolarHBondContact N-O 3.29Å; C134-N145 HydrophobicContact CB-CB 4.09Å; N142-N145 WeakPolarHBondContact O-CB 3.49Å; N142-N145 PolarHBondContact O-N 3.49Å; A143-N145 PolarHBondContact O-N 2.76Å
146Y96.4Very high89.6Confident4 Ų446.7 Ų46.72%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-128.1151.3-173.1-60.5-86.2000111.9Y128 K129 V130 K131 D136 F141 N142 A143 E144 L164Y128-Y146 AromaticContact CD2-CD1 3.58Å; Y128-Y146 HydrophobicContact CD2-CD1 3.58Å; Y128-Y146 AromaticContact CD2-CE1 3.82Å; Y128-Y146 HydrophobicContact CD2-CE1 3.82Å; Y128-Y146 HydrophobicContact CD2-CG 4.34Å; Y128-Y146 HydrophobicContact CE2-CD1 4.21Å; Y128-Y146 AromaticContact CE2-CE1 3.96Å; Y128-Y146 HydrophobicContact CE2-CE1 3.96Å; K129-Y146 CarbonylContact O-C 3.59Å; K129-Y146 VanDerWaalsContact O-CA 3.22Å; K129-Y146 WeakPolarHBondContact O-CA 3.45Å; K129-Y146 WeakPolarHBondContact O-CB 3.4Å; V130-Y146 HydrophobicContact CB-CD1 4.48Å; V130-Y146 HydrophobicContact CB-CE1 4.46Å; V130-Y146 HydrophobicContact CG2-CD1 4.12Å; V130-Y146 HydrophobicContact CG2-CE1 3.71Å; K131-Y146 WeakPolarHBondContact CE-O 3.17Å; D136-Y146 PolarHBondContact OD1-OH 3.46Å; F141-Y146 HydrophobicContact CD1-CE2 4.16Å; F141-Y146 AromaticContact CD2-CE2 3.68Å; F141-Y146 HydrophobicContact CD2-CE2 3.68Å; F141-Y146 AromaticContact CD2-CZ 3.71Å; F141-Y146 WeakPolarHBondContact CD2-OH 3.44Å; F141-Y146 AromaticContact CE1-CD2 3.95Å; F141-Y146 HydrophobicContact CE1-CD2 3.95Å; F141-Y146 AromaticContact CE1-CE2 3.85Å; F141-Y146 HydrophobicContact CE1-CE2 3.85Å; F141-Y146 AromaticContact CE2-CD2 3.94Å; F141-Y146 HydrophobicContact CE2-CD2 3.94Å; F141-Y146 AromaticContact CE2-CE1 3.94Å; F141-Y146 HydrophobicContact CE2-CE1 3.94Å; F141-Y146 AromaticContact CE2-CE2 3.33Å; F141-Y146 HydrophobicContact CE2-CE2 3.33Å; F141-Y146 HydrophobicContact CE2-CG 4.49Å; F141-Y146 AromaticContact CE2-CZ 3.33Å; F141-Y146 HydrophobicContact CG-CE2 4.08Å; F141-Y146 AromaticContact CZ-CD2 3.54Å; F141-Y146 HydrophobicContact CZ-CD2 3.54Å; F141-Y146 HydrophobicContact CZ-CE1 4.38Å; F141-Y146 AromaticContact CZ-CE2 3.41Å; F141-Y146 HydrophobicContact CZ-CE2 3.41Å; F141-Y146 VanDerWaalsContact CZ-CE2 3.41Å; F141-Y146 HydrophobicContact CZ-CG 4.12Å; F141-Y146 AromaticContact CZ-CZ 3.86Å; N142-Y146 WeakPolarHBondContact O-CD2 3.47Å; N142-Y146 WeakPolarHBondContact O-CE2 3.09Å; A143-Y146 PolarHBondContact O-N 3.33Å; E144-Y146 VanDerWaalsContact C-N 3.27Å; E144-Y146 PolarHBondContact O-N 3.02Å; Y146-L164 WeakPolarHBondContact O-CD1 3.39Å
147D97.2Very high90.8Very high46 Ų4646.7 Ų46.725%0.24624%0.243CC..EExtended strand (participates in β ladder)trans-112.9157.5168.6-71.1-36.4000109.8Y128 K129 K131Y128-D147 CarbonylContact C-O 3.53Å; Y128-D147 WeakPolarHBondContact CA-O 3.36Å; K129-D147 HydrophobicContact CG-CB 4.02Å; K129-D147 PolarHBondContact N-O 3.02Å; K129-D147 PolarHBondContact O-N 3.24Å; K131-D147 WeakPolarHBondContact CE-OD1 3.43Å; K131-D147 HydrophobicContact CG-CB 4.46Å; K131-D147 WeakPolarHBondContact CG-OD1 3.27Å; K131-D147 WeakPolarHBondContact CG-OD2 3.46Å
148L98.4Very high92.3Very high0 Ų044.7 Ų44.70%023%0.23CC..  trans-73141.4166.5-59.5-172.3000111.8N127 H150 K152 D160 F163 L164N127-L148 WeakPolarHBondContact O-CD2 3.4Å; L148-H150 WeakPolarHBondContact CB-O 3.4Å; L148-K152 HydrophobicContact CB-CD 4.23Å; L148-K152 HydrophobicContact CB-CG 4.02Å; L148-K152 HydrophobicContact CD1-CG 4.26Å; L148-K152 PolarHBondContact O-NZ 3.46Å; L148-D160 HydrophobicContact CD1-CB 4.21Å; L148-D160 HydrophobicContact CG-CB 4.2Å; L148-F163 HydrophobicContact CD1-CB 4.3Å; L148-F163 HydrophobicContact CD1-CD2 3.81Å; L148-F163 HydrophobicContact CD1-CG 4.4Å; L148-F163 HydrophobicContact CD2-CB 3.84Å; L148-L164 HydrophobicContact CD2-CD2 3.73Å; L148-L164 HydrophobicContact CD2-CG 3.83Å; L148-L164 HydrophobicContact CG-CG 4.45Å
149L98.4Very high94.1Very high11 Ų1141.4 Ų41.46%0.05821%0.207CC..SBendtrans-66.5-57.9168-73.1166.7000109.3P20 D22 L74 N127 Y128 K129 K152P20-L149 HydrophobicContact CB-CD1 3.97Å; P20-L149 HydrophobicContact CG-CD1 4.07Å; D22-L149 HydrophobicContact CB-CD2 3.75Å; L74-L149 HydrophobicContact CD2-CB 4.03Å; L74-L149 HydrophobicContact CD2-CD1 4.32Å; N127-L149 WeakPolarHBondContact OD1-CB 3.38Å; N127-L149 PolarHBondContact OD1-N 2.92Å; Y128-L149 WeakPolarHBondContact O-CD1 3.17Å; K129-L149 HydrophobicContact CB-CD2 3.93Å; K129-L149 HydrophobicContact CB-CG 4.32Å; K129-L149 HydrophobicContact CD-CD2 4.05Å; K129-L149 HydrophobicContact CG-CD2 4.18Å; L149-K152 PolarHBondContact O-NZ 3.32Å
150H98.5Very high95.9Very high3 Ų332.7 Ų32.71%0.01417%0.169CC..SBendtrans-139-160-179-58.3-59.3000110.8A35 D36 L74 Q75 N127 L148 K152A35-H150 HydrophobicContact CB-CB 4.27Å; A35-H150 WeakPolarHBondContact CB-ND1 3.5Å; D36-H150 IonicContact OD1-CE1 3.76Å; D36-H150 PolarHBondContact OD1-CE1 2.88Å; D36-H150 IonicContact OD1-ND1 3.56Å; D36-H150 PolarHBondContact OD1-ND1 3.05Å; L74-H150 HydrophobicContact CD1-CB 4.49Å; L74-H150 HydrophobicContact CD2-CB 4.4Å; L74-H150 HydrophobicContact CG-CB 4.12Å; Q75-H150 VanDerWaalsContact CG-CD2 3.43Å; Q75-H150 WeakPolarHBondContact CG-CD2 3.32Å; Q75-H150 VanDerWaalsContact CG-NE2 3.3Å; Q75-H150 WeakPolarHBondContact CG-NE2 3.49Å; Q75-H150 PolarHBondContact NE2-NE2 3.47Å; Q75-H150 VanDerWaalsContact NE2-NE2 3.12Å; N127-H150 PolarHBondContact ND2-O 3.17Å; N127-H150 PolarHBondContact OD1-N 3.43Å; N127-H150 PolarHBondContact OD1-O 3.22Å; L148-H150 WeakPolarHBondContact CB-O 3.4Å; H150-K152 PolarHBondContact O-N 3.13Å
151F98.3Very high97Very high0 Ų029.2 Ų29.20%015%0.145CC..  trans58.631.7-175.2-140.4-88.4000113.9T78 A118 V123 L153 N159 F163 L233T78-F151 HydrophobicContact CG2-CD2 4.48Å; T78-F151 PolarHBondContact OG1-N 3.44Å; T78-F151 VanDerWaalsContact OG1-N 3.12Å; A118-F151 HydrophobicContact CB-CE1 4.4Å; A118-F151 HydrophobicContact CB-CE2 3.86Å; A118-F151 HydrophobicContact CB-CZ 3.51Å; V123-F151 HydrophobicContact CB-CD2 4.41Å; V123-F151 HydrophobicContact CB-CG 4.4Å; V123-F151 HydrophobicContact CG1-CD1 4.45Å; V123-F151 HydrophobicContact CG1-CD2 3.46Å; V123-F151 VanDerWaalsContact CG1-CD2 3.46Å; V123-F151 HydrophobicContact CG1-CE2 3.62Å; V123-F151 HydrophobicContact CG1-CG 3.92Å; V123-F151 HydrophobicContact CG1-CZ 4.2Å; F151-L153 HydrophobicContact CD1-CD1 3.83Å; F151-L153 HydrophobicContact CD1-CG 4.38Å; F151-L153 HydrophobicContact CE1-CD1 3.45Å; F151-L153 VanDerWaalsContact CE1-CD1 3.45Å; F151-L153 HydrophobicContact CE1-CG 4.45Å; F151-L153 HydrophobicContact CE2-CD1 4.34Å; F151-L153 HydrophobicContact CG-CD1 4.41Å; F151-L153 HydrophobicContact CZ-CD1 3.74Å; F151-L153 PolarHBondContact O-N 2.88Å; F151-N159 PolarHBondContact O-ND2 3.33Å; F151-N159 PolarHBondContact O-OD1 3.01Å; F151-F163 HydrophobicContact CD1-CE1 4.11Å; F151-F163 AromaticContact CD1-CE2 3.58Å; F151-F163 HydrophobicContact CD1-CE2 3.58Å; F151-F163 AromaticContact CD1-CZ 3.3Å; F151-F163 HydrophobicContact CD1-CZ 3.3Å; F151-F163 HydrophobicContact CE1-CE1 4.27Å; F151-F163 HydrophobicContact CE1-CE2 4.1Å; F151-F163 AromaticContact CE1-CZ 3.45Å; F151-F163 HydrophobicContact CE1-CZ 3.45Å; F151-F163 VanDerWaalsContact CE1-CZ 3.45Å; F151-F163 HydrophobicContact CG-CZ 4.39Å; F151-L233 HydrophobicContact CE1-CD2 3.95Å; F151-L233 HydrophobicContact CZ-CD2 4.16Å
152K97.8Very high97.3Very high50 Ų5030.5 Ų30.522%0.21715%0.15CC..  trans-94.776175.8-68.7173.4-69-162.60109.8V38 L148 L149 H150V38-K152 WeakPolarHBondContact CG1-O 3.46Å; L148-K152 HydrophobicContact CB-CD 4.23Å; L148-K152 HydrophobicContact CB-CG 4.02Å; L148-K152 HydrophobicContact CD1-CG 4.26Å; L148-K152 PolarHBondContact O-NZ 3.46Å; L149-K152 PolarHBondContact O-NZ 3.32Å; H150-K152 PolarHBondContact O-N 3.13Å
153L98Very high97.5Very high5 Ų528.7 Ų28.73%0.02614%0.141CC..  trans-86.2-29.2-168.7-60.8169.5000112.3V38 L42 T78 A82 F151 N159 F232V38-L153 HydrophobicContact CG1-CD2 4.09Å; V38-L153 HydrophobicContact CG2-CD2 3.89Å; L42-L153 HydrophobicContact CD1-CB 4.16Å; L42-L153 HydrophobicContact CD1-CD2 3.94Å; L42-L153 WeakPolarHBondContact CD1-O 3.38Å; T78-L153 HydrophobicContact CG2-CD2 4.16Å; A82-L153 HydrophobicContact CB-CD2 4.04Å; F151-L153 HydrophobicContact CD1-CD1 3.83Å; F151-L153 HydrophobicContact CD1-CG 4.38Å; F151-L153 HydrophobicContact CE1-CD1 3.45Å; F151-L153 VanDerWaalsContact CE1-CD1 3.45Å; F151-L153 HydrophobicContact CE1-CG 4.45Å; F151-L153 HydrophobicContact CE2-CD1 4.34Å; F151-L153 HydrophobicContact CG-CD1 4.41Å; F151-L153 HydrophobicContact CZ-CD1 3.74Å; F151-L153 PolarHBondContact O-N 2.88Å; L153-N159 PolarHBondContact N-OD1 3.13Å; L153-F232 HydrophobicContact CB-CD2 4.28Å; L153-F232 HydrophobicContact CB-CE2 4.34Å; L153-F232 HydrophobicContact CD1-CB 3.48Å; L153-F232 VanDerWaalsContact CD1-CB 3.48Å; L153-F232 HydrophobicContact CD1-CD1 3.82Å; L153-F232 HydrophobicContact CD1-CD2 4Å; L153-F232 HydrophobicContact CD1-CG 3.5Å
154L97.2Very high97.6Very high15 Ų1528.8 Ų28.88%0.07914%0.141CC..SBendtrans-109.9154.8-178.7-46.5179.8000111.5R39 D156 N159 V224 Q228 L229 F232R39-L154 PolarHBondContact NE-O 2.73Å; R39-L154 PolarHBondContact NH2-O 3.12Å; L154-D156 HydrophobicContact CB-CB 4.44Å; L154-D156 PolarHBondContact O-N 3.4Å; L154-N159 HydrophobicContact CB-CB 4.08Å; L154-N159 HydrophobicContact CD1-CB 4.47Å; L154-N159 HydrophobicContact CG-CB 4.36Å; L154-N159 PolarHBondContact N-OD1 2.96Å; L154-V224 HydrophobicContact CD1-CG1 3.78Å; L154-Q228 HydrophobicContact CD1-CB 3.59Å; L154-Q228 HydrophobicContact CD2-CB 3.88Å; L154-Q228 HydrophobicContact CG-CB 4.39Å; L154-L229 HydrophobicContact CD1-CB 3.85Å; L154-L229 HydrophobicContact CD1-CD1 4.41Å; L154-F232 HydrophobicContact CD2-CE2 4.01Å
155D95.3Very high97.8Very high131 Ų13125.2 Ų25.270%0.70112%0.124SC*.SBendtrans-87.146.9168.4-157.335.1000111.7R39R39-D155 IonicContact CZ-OD1 2.72Å; R39-D155 IonicContact NE-OD1 3.67Å; R39-D155 IonicContact NH1-OD1 3.33Å; R39-D155 PolarHBondContact NH1-OD1 2.9Å
156D97.2Very high97.9Very high60 Ų6023.8 Ų23.832%0.32112%0.118SC..SBendtrans-145.1135-177.8-168.1-69.1000109.2L154 S158 N159 V224L154-D156 HydrophobicContact CB-CB 4.44Å; L154-D156 PolarHBondContact O-N 3.4Å; D156-S158 PolarHBondContact O-N 3.16Å; D156-S158 VanDerWaalsContact O-N 3.16Å; D156-S158 WeakPolarHBondContact OD1-CA 3.26Å; D156-S158 WeakPolarHBondContact OD1-CB 3.11Å; D156-S158 PolarHBondContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 3.17Å; D156-N159 VanDerWaalsContact O-CB 3.24Å; D156-N159 WeakPolarHBondContact O-CB 3.46Å; D156-N159 PolarHBondContact O-N 3.24Å; D156-V224 HydrophobicContact CB-CG1 4.03Å
157Y97.9Very high98Very high85 Ų8523.7 Ų23.733%0.33312%0.117SC..Hα-helixtrans-65.6-17.7-177.5-171.6-122.2000113N159 D160 W161 H219Y157-N159 PolarHBondContact O-N 2.96Å; Y157-D160 HydrophobicContact CD2-CB 3.85Å; Y157-D160 HydrophobicContact CE2-CB 3.9Å; Y157-D160 PolarHBondContact O-N 3.26Å; Y157-D160 VanDerWaalsContact O-N 3.13Å; Y157-W161 HydrophobicContact CD1-CB 4.43Å; Y157-W161 HydrophobicContact CE1-CB 4.31Å; Y157-W161 HydrophobicContact CE1-CD2 4.46Å; Y157-W161 AromaticContact CE1-CE3 3.96Å; Y157-W161 HydrophobicContact CE1-CE3 3.96Å; Y157-W161 WeakPolarHBondContact O-CB 3.27Å; Y157-W161 PolarHBondContact O-N 2.83Å; Y157-H219 HydrophobicContact CD1-CB 3.7Å; Y157-H219 HydrophobicContact CE1-CB 3.84Å; Y157-H219 AromaticContact CE1-CD2 3.75Å; Y157-H219 AromaticContact CE1-CG 3.82Å
158S98.4Very high98Very high4 Ų421.7 Ų21.73%0.02811%0.106CC..Hα-helixtrans-53.1-34167.7-61.60000112.4D156 F162 H219 L220 D221D156-S158 PolarHBondContact O-N 3.16Å; D156-S158 VanDerWaalsContact O-N 3.16Å; D156-S158 WeakPolarHBondContact OD1-CA 3.26Å; D156-S158 WeakPolarHBondContact OD1-CB 3.11Å; D156-S158 PolarHBondContact OD1-N 3.1Å; D156-S158 PolarHBondContact OD1-OG 3.17Å; S158-F162 WeakPolarHBondContact O-CB 3.49Å; S158-F162 PolarHBondContact O-N 2.91Å; S158-F162 VanDerWaalsContact O-N 3.16Å; S158-H219 WeakPolarHBondContact CA-O 3.34Å; S158-H219 PolarHBondContact OG-O 2.99Å; S158-L220 WeakPolarHBondContact O-CD1 3.05Å; S158-D221 PolarHBondContact OG-N 3.45Å
159N98.4Very high97.9Very high0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-57.9-61.2173.5-178.2119.1000109.8F151 L153 L154 D156 Y157 F163F151-N159 PolarHBondContact O-ND2 3.33Å; F151-N159 PolarHBondContact O-OD1 3.01Å; L153-N159 PolarHBondContact N-OD1 3.13Å; L154-N159 HydrophobicContact CB-CB 4.08Å; L154-N159 HydrophobicContact CD1-CB 4.47Å; L154-N159 HydrophobicContact CG-CB 4.36Å; L154-N159 PolarHBondContact N-OD1 2.96Å; D156-N159 VanDerWaalsContact O-CB 3.24Å; D156-N159 WeakPolarHBondContact O-CB 3.46Å; D156-N159 PolarHBondContact O-N 3.24Å; Y157-N159 PolarHBondContact O-N 2.96Å; N159-F163 WeakPolarHBondContact O-CD2 3.43Å
160D98.5Very high97.9Very high16 Ų1622.4 Ų22.49%0.08611%0.11CC..Hα-helixtrans-62.3-46.3-175.8-63.7-112.4000111.1L148 Y157 F162 F163 L164L148-D160 HydrophobicContact CD1-CB 4.21Å; L148-D160 HydrophobicContact CG-CB 4.2Å; Y157-D160 HydrophobicContact CD2-CB 3.85Å; Y157-D160 HydrophobicContact CE2-CB 3.9Å; Y157-D160 PolarHBondContact O-N 3.26Å; Y157-D160 VanDerWaalsContact O-N 3.13Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 3.48Å; D160-F163 PolarHBondContact O-N 3.26Å; D160-L164 HydrophobicContact CB-CD1 4.31Å; D160-L164 WeakPolarHBondContact O-CG 3.43Å; D160-L164 PolarHBondContact O-N 3.26Å
161W98.6Very high97.8Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-62-38.5-176.3-169.9-112.6000113.6A143 E144 Y157 F163 L164 A165 R215 L216 L218 H219A143-W161 HydrophobicContact CB-CH2 3.98Å; A143-W161 HydrophobicContact CB-CZ3 3.78Å; E144-W161 HydrophobicContact CG-CH2 3.78Å; E144-W161 HydrophobicContact CG-CZ3 3.69Å; Y157-W161 HydrophobicContact CD1-CB 4.43Å; Y157-W161 HydrophobicContact CE1-CB 4.31Å; Y157-W161 HydrophobicContact CE1-CD2 4.46Å; Y157-W161 AromaticContact CE1-CE3 3.96Å; Y157-W161 HydrophobicContact CE1-CE3 3.96Å; Y157-W161 WeakPolarHBondContact O-CB 3.27Å; Y157-W161 PolarHBondContact O-N 2.83Å; W161-F163 VanDerWaalsContact C-N 3.26Å; W161-F163 PolarHBondContact O-N 3.17Å; W161-L164 PolarHBondContact O-N 3.31Å; W161-A165 HydrophobicContact CD2-CB 4.28Å; W161-A165 HydrophobicContact CZ2-CB 4.25Å; W161-A165 VanDerWaalsContact O-CB 3.23Å; W161-A165 WeakPolarHBondContact O-CB 3.07Å; W161-A165 PolarHBondContact O-N 3.05Å; W161-R215 HydrophobicContact CZ2-CB 4.26Å; W161-R215 WeakPolarHBondContact CZ2-O 3.2Å; W161-R215 PolarHBondContact NE1-O 2.66Å; W161-L216 PolarHBondContact NE1-O 2.67Å; W161-L218 HydrophobicContact CZ2-CB 3.93Å; W161-L218 HydrophobicContact CZ2-CD1 4.08Å; W161-L218 HydrophobicContact CZ2-CG 4.49Å; W161-H219 HydrophobicContact CB-CB 3.92Å; W161-H219 HydrophobicContact CD2-CB 3.85Å; W161-H219 AromaticContact CD2-CD2 3.52Å; W161-H219 AromaticContact CE2-CD2 3.53Å; W161-H219 AromaticContact CE3-CD2 3.61Å; W161-H219 HydrophobicContact CG-CB 3.54Å; W161-H219 AromaticContact CH2-CD2 3.68Å; W161-H219 AromaticContact CZ2-CD2 3.63Å; W161-H219 AromaticContact CZ3-CD2 3.69Å
162F98.4Very high97.7Very high41 Ų4125.3 Ų25.318%0.1813%0.125CC..Hα-helixtrans-53.8-45.8177174.3-109000111.7S158 D160 T166 L216 L220 F225 L229 L233S158-F162 WeakPolarHBondContact O-CB 3.49Å; S158-F162 PolarHBondContact O-N 2.91Å; S158-F162 VanDerWaalsContact O-N 3.16Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 3.48Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.34Å; F162-T166 PolarHBondContact O-N 3.37Å; F162-T166 PolarHBondContact O-OG1 3.25Å; F162-L216 HydrophobicContact CD2-CD2 4.29Å; F162-L220 HydrophobicContact CB-CD1 3.87Å; F162-L220 HydrophobicContact CD2-CD2 4Å; F162-F225 HydrophobicContact CD2-CD2 4.02Å; F162-F225 AromaticContact CD2-CE2 3.65Å; F162-F225 HydrophobicContact CD2-CE2 3.65Å; F162-F225 HydrophobicContact CE1-CE2 4.43Å; F162-F225 HydrophobicContact CE2-CD2 4.31Å; F162-F225 AromaticContact CE2-CE2 3.49Å; F162-F225 HydrophobicContact CE2-CE2 3.49Å; F162-F225 VanDerWaalsContact CE2-CE2 3.49Å; F162-F225 HydrophobicContact CE2-CZ 4.1Å; F162-F225 HydrophobicContact CG-CD2 4.42Å; F162-F225 HydrophobicContact CG-CE2 4.21Å; F162-F225 AromaticContact CZ-CE2 3.91Å; F162-F225 HydrophobicContact CZ-CE2 3.91Å; F162-F225 HydrophobicContact CZ-CZ 4.5Å; F162-L229 HydrophobicContact CB-CD2 3.79Å; F162-L229 HydrophobicContact CD1-CD2 3.84Å; F162-L229 HydrophobicContact CG-CD2 3.92Å; F162-L233 HydrophobicContact CE1-CD1 3.71Å; F162-L233 HydrophobicContact CZ-CD1 4.06Å
163F98.5Very high97.8Very high5 Ų523 Ų232%0.02212%0.115CC..Hα-helixtrans-78.9-41.1-179.4-60-76.4000112.2V123 L148 F151 N159 D160 W161 T166 L167 L229 L233V123-F163 HydrophobicContact CB-CD1 4.13Å; V123-F163 HydrophobicContact CB-CE1 3.85Å; V123-F163 HydrophobicContact CG2-CD1 4.07Å; V123-F163 HydrophobicContact CG2-CE1 3.64Å; V123-F163 WeakPolarHBondContact O-CD1 3.42Å; L148-F163 HydrophobicContact CD1-CB 4.3Å; L148-F163 HydrophobicContact CD1-CD2 3.81Å; L148-F163 HydrophobicContact CD1-CG 4.4Å; L148-F163 HydrophobicContact CD2-CB 3.84Å; F151-F163 HydrophobicContact CD1-CE1 4.11Å; F151-F163 AromaticContact CD1-CE2 3.58Å; F151-F163 HydrophobicContact CD1-CE2 3.58Å; F151-F163 AromaticContact CD1-CZ 3.3Å; F151-F163 HydrophobicContact CD1-CZ 3.3Å; F151-F163 HydrophobicContact CE1-CE1 4.27Å; F151-F163 HydrophobicContact CE1-CE2 4.1Å; F151-F163 AromaticContact CE1-CZ 3.45Å; F151-F163 HydrophobicContact CE1-CZ 3.45Å; F151-F163 VanDerWaalsContact CE1-CZ 3.45Å; F151-F163 HydrophobicContact CG-CZ 4.39Å; N159-F163 WeakPolarHBondContact O-CD2 3.43Å; D160-F163 PolarHBondContact O-N 3.26Å; W161-F163 VanDerWaalsContact C-N 3.26Å; W161-F163 PolarHBondContact O-N 3.17Å; F163-T166 PolarHBondContact O-N 3.44Å; F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.5Å; F163-L167 PolarHBondContact O-N 3.32Å; F163-L229 HydrophobicContact CE2-CD1 4.25Å; F163-L229 HydrophobicContact CE2-CD2 4.34Å; F163-L233 HydrophobicContact CE1-CD2 4.28Å; F163-L233 HydrophobicContact CZ-CD2 4.03Å
164L98.3Very high97.7Very high1 Ų123.2 Ų23.21%0.00512%0.117CC..Hα-helixtrans-67.6-42.1-178.5-67.5173.5000112.6A143 Y146 L148 D160 W161 L167 E168A143-L164 HydrophobicContact CB-CB 4.06Å; A143-L164 WeakPolarHBondContact CB-O 3.23Å; Y146-L164 WeakPolarHBondContact O-CD1 3.39Å; L148-L164 HydrophobicContact CD2-CD2 3.73Å; L148-L164 HydrophobicContact CD2-CG 3.83Å; L148-L164 HydrophobicContact CG-CG 4.45Å; D160-L164 HydrophobicContact CB-CD1 4.31Å; D160-L164 WeakPolarHBondContact O-CG 3.43Å; D160-L164 PolarHBondContact O-N 3.26Å; W161-L164 PolarHBondContact O-N 3.31Å; L164-L167 WeakPolarHBondContact O-CB 3.4Å; L164-L167 PolarHBondContact O-N 2.98Å; L164-E168 PolarHBondContact O-N 3.05Å
165A98.1Very high97.7Very high0 Ų024.8 Ų24.80%013%0.13CC..Hα-helixtrans-68.2-37.4174.900000111.5W161 L167 E168 V169 L216W161-A165 HydrophobicContact CD2-CB 4.28Å; W161-A165 HydrophobicContact CZ2-CB 4.25Å; W161-A165 VanDerWaalsContact O-CB 3.23Å; W161-A165 WeakPolarHBondContact O-CB 3.07Å; W161-A165 PolarHBondContact O-N 3.05Å; A165-L167 VanDerWaalsContact C-N 3.34Å; A165-E168 PolarHBondContact O-N 3.37Å; A165-V169 PolarHBondContact O-N 2.82Å; A165-L216 HydrophobicContact CB-CD2 3.81Å; A165-L216 HydrophobicContact CB-CG 4.07Å
166T98.2Very high97.8Very high23 Ų2318.5 Ų18.514%0.14110%0.096CC..Hα-helixtrans-61.2-44172-63.40000111.2A124 F162 F163 E168 V169 E170A124-T166 HydrophobicContact CB-CG2 4.25Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.34Å; F162-T166 PolarHBondContact O-N 3.37Å; F162-T166 PolarHBondContact O-OG1 3.25Å; F163-T166 PolarHBondContact O-N 3.44Å; T166-E168 VanDerWaalsContact C-N 3.32Å; T166-E168 PolarHBondContact O-N 3.37Å; T166-V169 WeakPolarHBondContact O-CB 3.49Å; T166-V169 PolarHBondContact O-N 3.18Å; T166-E170 WeakPolarHBondContact O-CG 3.02Å; T166-E170 PolarHBondContact O-N 3.06Å; T166-E170 VanDerWaalsContact O-N 3.09Å
167L97.6Very high97.9Very high2 Ų216 Ų161%0.018%0.082CC..Hα-helixtrans-59.3-41.3176.2173.863.3000111.8V16 Y128 F141 F163 L164 A165 V169 E170 V171V16-L167 HydrophobicContact CB-CD1 4.13Å; V16-L167 HydrophobicContact CG1-CD1 3.59Å; V16-L167 HydrophobicContact CG2-CD1 3.37Å; Y128-L167 VanDerWaalsContact CB-CD2 3.48Å; Y128-L167 HydrophobicContact CD1-CD2 3.87Å; Y128-L167 HydrophobicContact CD2-CD2 4.16Å; Y128-L167 HydrophobicContact CG-CD2 3.57Å; F141-L167 HydrophobicContact CE1-CD2 4.25Å; F141-L167 HydrophobicContact CE1-CG 4.04Å; F141-L167 HydrophobicContact CE2-CD2 4.43Å; F141-L167 HydrophobicContact CZ-CD2 3.56Å; F141-L167 HydrophobicContact CZ-CG 3.7Å; F163-L167 VanDerWaalsContact O-CB 3.31Å; F163-L167 WeakPolarHBondContact O-CB 3.5Å; F163-L167 PolarHBondContact O-N 3.32Å; L164-L167 WeakPolarHBondContact O-CB 3.4Å; L164-L167 PolarHBondContact O-N 2.98Å; A165-L167 VanDerWaalsContact C-N 3.34Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.42Å; L167-E170 WeakPolarHBondContact O-CB 2.97Å; L167-E170 PolarHBondContact O-N 3.09Å; L167-E170 VanDerWaalsContact O-N 3.13Å; L167-V171 HydrophobicContact CD1-CG2 4.2Å; L167-V171 HydrophobicContact CG-CG2 4.49Å; L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.25Å
168E97Very high97.8Very high3 Ų320.5 Ų20.51%0.01410%0.099CC..Hα-helixtrans-61.3-38.1176.3-176.8171.1-178.800112.4F141 A143 L164 A165 T166 V171 E172 K212 R215F141-E168 HydrophobicContact CD1-CB 3.94Å; F141-E168 HydrophobicContact CD1-CG 4.06Å; F141-E168 HydrophobicContact CE1-CB 4.08Å; A143-E168 HydrophobicContact CB-CB 4.16Å; A143-E168 WeakPolarHBondContact CB-OE2 3.45Å; A143-E168 PolarHBondContact N-OE2 3.37Å; A143-E168 VanDerWaalsContact N-OE2 3.13Å; L164-E168 PolarHBondContact O-N 3.05Å; A165-E168 PolarHBondContact O-N 3.37Å; T166-E168 VanDerWaalsContact C-N 3.32Å; T166-E168 PolarHBondContact O-N 3.37Å; E168-V171 PolarHBondContact O-N 3.38Å; E168-E172 WeakPolarHBondContact O-CB 3.39Å; E168-E172 PolarHBondContact O-N 3.45Å; E168-K212 HydrophobicContact CG-CB 4.48Å; E168-K212 HydrophobicContact CG-CD 3.98Å; E168-K212 HydrophobicContact CG-CG 4.32Å; E168-K212 WeakPolarHBondContact OE1-CD 3.42Å; E168-K212 WeakPolarHBondContact OE1-CE 3.48Å; E168-K212 IonicContact OE1-NZ 2.69Å; E168-K212 PolarHBondContact OE1-NZ 3.32Å; E168-R215 IonicContact OE1-NE 3.43Å; E168-R215 PolarHBondContact OE1-NE 3.1Å; E168-R215 IonicContact OE2-CZ 3.71Å; E168-R215 IonicContact OE2-NE 3.71Å; E168-R215 PolarHBondContact OE2-NE 3.04Å; E168-R215 IonicContact OE2-NH2 3.53Å
169V97.7Very high97.8Very high15 Ų1520.4 Ų20.49%0.09110%0.098CC..Hα-helixtrans-65.1-40.2172.9-179.70000111.7A165 T166 L167 E172 F173 K212 M213 F343A165-V169 PolarHBondContact O-N 2.82Å; T166-V169 WeakPolarHBondContact O-CB 3.49Å; T166-V169 PolarHBondContact O-N 3.18Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.42Å; V169-E172 PolarHBondContact O-N 2.88Å; V169-F173 PolarHBondContact O-N 3.21Å; V169-K212 HydrophobicContact CG2-CB 3.97Å; V169-M213 HydrophobicContact CG2-CB 3.99Å; V169-F343 HydrophobicContact CG1-CE2 4.4Å; V169-F343 HydrophobicContact CG1-CZ 4.38Å
170E97.9Very high97.8Very high11 Ų1120.4 Ų20.45%0.05110%0.098CC..Hα-helixtrans-67.6-36.6177.9-66.3-72.8-175.900112.4V16 H120 L125 T166 L167 F173 S270 T272V16-E170 HydrophobicContact CG2-CB 4.12Å; H120-E170 IonicContact CD2-OE1 3.71Å; H120-E170 IonicContact CE1-OE1 2.69Å; H120-E170 PolarHBondContact CE1-OE1 3.36Å; H120-E170 IonicContact NE2-OE1 3.66Å; H120-E170 PolarHBondContact NE2-OE1 2.93Å; L125-E170 HydrophobicContact CD2-CB 3.89Å; L125-E170 HydrophobicContact CD2-CG 3.69Å; T166-E170 WeakPolarHBondContact O-CG 3.02Å; T166-E170 PolarHBondContact O-N 3.06Å; T166-E170 VanDerWaalsContact O-N 3.09Å; L167-E170 WeakPolarHBondContact O-CB 2.97Å; L167-E170 PolarHBondContact O-N 3.09Å; L167-E170 VanDerWaalsContact O-N 3.13Å; E170-F173 WeakPolarHBondContact O-CB 3.33Å; E170-F173 PolarHBondContact O-N 2.8Å; E170-S270 WeakPolarHBondContact OE1-CB 3.09Å; E170-S270 PolarHBondContact OE1-OG 3.45Å; E170-S270 PolarHBondContact OE2-OG 3.14Å; E170-S270 VanDerWaalsContact OE2-OG 3.06Å; E170-T272 PolarHBondContact OE2-OG1 3.29Å
171V96.8Very high97.7Very high12 Ų1220.8 Ų20.87%0.07310%0.099CC..Hα-helixtrans-68.7-40.7174172.90000110.7L13 V16 F141 L167 E168 F173 A174L13-V171 HydrophobicContact CD2-CG1 3.78Å; L13-V171 HydrophobicContact CD2-CG2 4.08Å; V16-V171 HydrophobicContact CG2-CG2 3.89Å; F141-V171 HydrophobicContact CB-CB 4.25Å; F141-V171 HydrophobicContact CB-CG1 3.59Å; F141-V171 HydrophobicContact CD1-CB 4.37Å; F141-V171 HydrophobicContact CD1-CG2 4.29Å; F141-V171 HydrophobicContact CD2-CB 4.39Å; F141-V171 HydrophobicContact CD2-CG1 4.1Å; F141-V171 HydrophobicContact CD2-CG2 3.89Å; F141-V171 HydrophobicContact CE1-CG2 4.46Å; F141-V171 HydrophobicContact CE2-CG2 4.06Å; F141-V171 HydrophobicContact CG-CB 4.08Å; F141-V171 HydrophobicContact CG-CG1 3.85Å; F141-V171 HydrophobicContact CG-CG2 4.02Å; F141-V171 HydrophobicContact CZ-CG2 4.36Å; L167-V171 HydrophobicContact CD1-CG2 4.2Å; L167-V171 HydrophobicContact CG-CG2 4.49Å; L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.25Å; E168-V171 PolarHBondContact O-N 3.38Å; V171-F173 PolarHBondContact O-N 3.2Å; V171-A174 WeakPolarHBondContact O-CB 3.35Å; V171-A174 PolarHBondContact O-N 3.11Å
172E96.9Very high97.7Very high53 Ų5322.3 Ų22.325%0.24811%0.11CC..Hα-helixtrans-59.4-29178.1-17457.2-134.100112.7E168 V169 A174 S175 M209 K212E168-E172 WeakPolarHBondContact O-CB 3.39Å; E168-E172 PolarHBondContact O-N 3.45Å; V169-E172 PolarHBondContact O-N 2.88Å; E172-A174 PolarHBondContact O-N 3.15Å; E172-A174 VanDerWaalsContact O-N 3.1Å; E172-S175 PolarHBondContact O-N 2.92Å; E172-S175 VanDerWaalsContact O-N 3.11Å; E172-S175 PolarHBondContact O-OG 2.97Å; E172-S175 PolarHBondContact OE1-OG 3.36Å; E172-M209 HydrophobicContact CB-CG 4.09Å; E172-M209 HydrophobicContact CG-CB 4.24Å; E172-M209 HydrophobicContact CG-CG 3.74Å; E172-K212 HydrophobicContact CB-CG 3.95Å; E172-K212 HydrophobicContact CG-CG 3.87Å
173F97.9Very high97.6Very high0 Ų020.4 Ų20.40%010%0.102CC..THydrogen-bonded Turntrans-58-23172.7177.3-97.8000113.2A14 F15 V169 E170 V171 S175 T176 L177 L180 M209 T272 L276 F306A14-F173 HydrophobicContact CB-CD1 3.75Å; F15-F173 HydrophobicContact CD2-CD1 4.11Å; F15-F173 HydrophobicContact CD2-CE1 4.19Å; F15-F173 AromaticContact CE2-CD1 3.64Å; F15-F173 HydrophobicContact CE2-CD1 3.64Å; F15-F173 AromaticContact CE2-CE1 3.3Å; F15-F173 HydrophobicContact CE2-CE1 3.3Å; F15-F173 HydrophobicContact CE2-CZ 4.06Å; F15-F173 AromaticContact CZ-CE1 3.8Å; F15-F173 HydrophobicContact CZ-CE1 3.8Å; F15-F173 HydrophobicContact CZ-CZ 4.44Å; V169-F173 PolarHBondContact O-N 3.21Å; E170-F173 WeakPolarHBondContact O-CB 3.33Å; E170-F173 PolarHBondContact O-N 2.8Å; V171-F173 PolarHBondContact O-N 3.2Å; F173-S175 PolarHBondContact O-N 3.23Å; F173-S175 VanDerWaalsContact O-N 3.15Å; F173-T176 HydrophobicContact CD2-CG2 3.84Å; F173-T176 VanDerWaalsContact CD2-OG1 3.27Å; F173-T176 WeakPolarHBondContact CD2-OG1 3.43Å; F173-T176 HydrophobicContact CE2-CG2 4.17Å; F173-T176 WeakPolarHBondContact CE2-OG1 3.11Å; F173-T176 VanDerWaalsContact CZ-OG1 3.32Å; F173-T176 WeakPolarHBondContact CZ-OG1 3.34Å; F173-T176 VanDerWaalsContact O-CB 3.31Å; F173-T176 WeakPolarHBondContact O-CB 3.26Å; F173-T176 WeakPolarHBondContact O-CG2 3.49Å; F173-T176 PolarHBondContact O-N 3.44Å; F173-T176 PolarHBondContact O-OG1 3Å; F173-L177 HydrophobicContact CE1-CD2 4.01Å; F173-L180 HydrophobicContact CE2-CD1 4.27Å; F173-L180 HydrophobicContact CZ-CD1 3.72Å; F173-M209 HydrophobicContact CB-CE 4.28Å; F173-M209 HydrophobicContact CB-SD 4.13Å; F173-M209 HydrophobicContact CD2-CE 4.12Å; F173-M209 HydrophobicContact CD2-SD 3.94Å; F173-T272 HydrophobicContact CB-CG2 3.89Å; F173-T272 HydrophobicContact CD2-CG2 3.52Å; F173-T272 HydrophobicContact CE2-CG2 4.25Å; F173-T272 HydrophobicContact CG-CG2 3.81Å; F173-L276 HydrophobicContact CE2-CD1 4.39Å; F173-L276 HydrophobicContact CE2-CD2 3.94Å; F173-L276 HydrophobicContact CE2-CG 3.9Å; F173-F306 HydrophobicContact CE1-CE1 4.5Å; F173-F306 HydrophobicContact CZ-CE1 4.45Å
174A97.1Very high97.5Very high10 Ų1020.6 Ų20.68%0.08310%0.103CC..Hα-helixtrans-55.8-31.6175.700000112.6T12 A14 V171 E172 T176 L177T12-A174 VanDerWaalsContact C-CB 3.49Å; T12-A174 VanDerWaalsContact O-CB 3.24Å; T12-A174 WeakPolarHBondContact O-CB 3.29Å; A14-A174 HydrophobicContact CB-CB 4.05Å; V171-A174 WeakPolarHBondContact O-CB 3.35Å; V171-A174 PolarHBondContact O-N 3.11Å; E172-A174 PolarHBondContact O-N 3.15Å; E172-A174 VanDerWaalsContact O-N 3.1Å; A174-T176 PolarHBondContact O-N 3.16Å; A174-T176 VanDerWaalsContact O-N 3.16Å; A174-L177 HydrophobicContact CB-CD1 4.37Å; A174-L177 WeakPolarHBondContact O-CB 3.42Å; A174-L177 WeakPolarHBondContact O-CG 3.38Å; A174-L177 PolarHBondContact O-N 3.03Å
175S96.8Very high97.4Very high48 Ų4826.3 Ų26.334%0.33613%0.128SC..Hα-helixtrans-62.8-22.1176.274.40000112.9E172 F173 P179 S205E172-S175 PolarHBondContact O-N 2.92Å; E172-S175 VanDerWaalsContact O-N 3.11Å; E172-S175 PolarHBondContact O-OG 2.97Å; E172-S175 PolarHBondContact OE1-OG 3.36Å; F173-S175 PolarHBondContact O-N 3.23Å; F173-S175 VanDerWaalsContact O-N 3.15Å; S175-P179 WeakPolarHBondContact O-CD 3.2Å; S175-S205 PolarHBondContact O-OG 3.5Å; S175-S205 WeakPolarHBondContact OG-CB 3.16Å; S175-S205 PolarHBondContact OG-OG 2.93Å
176T98.4Very high97.2Very high0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-79.5-20.1176.376.60000113.2F173 A174 R178 P179 L180 L202 M209 L276F173-T176 HydrophobicContact CD2-CG2 3.84Å; F173-T176 VanDerWaalsContact CD2-OG1 3.27Å; F173-T176 WeakPolarHBondContact CD2-OG1 3.43Å; F173-T176 HydrophobicContact CE2-CG2 4.17Å; F173-T176 WeakPolarHBondContact CE2-OG1 3.11Å; F173-T176 VanDerWaalsContact CZ-OG1 3.32Å; F173-T176 WeakPolarHBondContact CZ-OG1 3.34Å; F173-T176 VanDerWaalsContact O-CB 3.31Å; F173-T176 WeakPolarHBondContact O-CB 3.26Å; F173-T176 WeakPolarHBondContact O-CG2 3.49Å; F173-T176 PolarHBondContact O-N 3.44Å; F173-T176 PolarHBondContact O-OG1 3Å; A174-T176 PolarHBondContact O-N 3.16Å; A174-T176 VanDerWaalsContact O-N 3.16Å; T176-R178 PolarHBondContact O-N 2.75Å; T176-P179 WeakPolarHBondContact O-CD 3.11Å; T176-P179 WeakPolarHBondContact O-CG 3.24Å; T176-L180 WeakPolarHBondContact O-CB 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.37Å; T176-L180 PolarHBondContact O-N 3.36Å; T176-L202 HydrophobicContact CG2-CD1 4.03Å; T176-M209 HydrophobicContact CG2-SD 3.93Å; T176-L276 HydrophobicContact CG2-CD2 4.31Å
177L98Very high97.1Very high6 Ų625.4 Ų25.43%0.03112%0.123CC..Hα-helixtrans-60.1-48.7-171.2-66.4173.2000111.4V9 S10 A14 F173 A174 L180 F181 F306V9-L177 HydrophobicContact CG1-CD1 3.83Å; V9-L177 HydrophobicContact CG1-CD2 3.86Å; S10-L177 VanDerWaalsContact O-CD1 3.25Å; S10-L177 WeakPolarHBondContact O-CD1 3.41Å; A14-L177 HydrophobicContact CB-CD1 4.4Å; F173-L177 HydrophobicContact CE1-CD2 4.01Å; A174-L177 HydrophobicContact CB-CD1 4.37Å; A174-L177 WeakPolarHBondContact O-CB 3.42Å; A174-L177 WeakPolarHBondContact O-CG 3.38Å; A174-L177 PolarHBondContact O-N 3.03Å; L177-L180 WeakPolarHBondContact O-CB 3.37Å; L177-L180 PolarHBondContact O-N 3.42Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.27Å; L177-F181 PolarHBondContact O-N 2.9Å; L177-F306 HydrophobicContact CD2-CZ 3.99Å
178R97.4Very high96.8Very high180 Ų18029.1 Ų29.168%0.67915%0.149SC*.Hα-helixtrans-57-52.7178.2179.6177.2175.1-122.40.4112.9T176 L180 F181 S182T176-R178 PolarHBondContact O-N 2.75Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-L180 PolarHBondContact O-N 2.66Å; R178-F181 PolarHBondContact O-N 2.92Å; R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 3.1Å; R178-S182 PolarHBondContact O-OG 3.06Å
179P98.1Very high96.7Very high2 Ų234.1 Ų34.11%0.01318%0.176CC..Hα-helixtrans-64.6-34.1176.920.9-30.1000112.8S175 T176 S182 L183 Q198 T201 L202S175-P179 WeakPolarHBondContact O-CD 3.2Å; T176-P179 WeakPolarHBondContact O-CD 3.11Å; T176-P179 WeakPolarHBondContact O-CG 3.24Å; P179-S182 PolarHBondContact O-N 2.91Å; P179-L183 VanDerWaalsContact O-CB 3.26Å; P179-L183 WeakPolarHBondContact O-CB 3.47Å; P179-L183 WeakPolarHBondContact O-CD1 3.45Å; P179-L183 WeakPolarHBondContact O-CG 3.47Å; P179-L183 PolarHBondContact O-N 3.37Å; P179-Q198 HydrophobicContact CB-CB 4.28Å; P179-Q198 WeakPolarHBondContact CB-O 3.49Å; P179-T201 HydrophobicContact CB-CG2 4.29Å; P179-T201 HydrophobicContact CG-CG2 4.1Å; P179-L202 HydrophobicContact CB-CB 4.13Å; P179-L202 HydrophobicContact CG-CB 4.33Å; P179-L202 HydrophobicContact CG-CD1 4.27Å
180L97.9Very high96.4Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-58.5-52.2175.3-71.8176000112.3F173 T176 L177 R178 S182 L183 V184 L202 L276 I279 F306 L310F173-L180 HydrophobicContact CE2-CD1 4.27Å; F173-L180 HydrophobicContact CZ-CD1 3.72Å; T176-L180 WeakPolarHBondContact O-CB 3.31Å; T176-L180 WeakPolarHBondContact O-CG 3.37Å; T176-L180 PolarHBondContact O-N 3.36Å; L177-L180 WeakPolarHBondContact O-CB 3.37Å; L177-L180 PolarHBondContact O-N 3.42Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-L180 PolarHBondContact O-N 2.66Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.48Å; L180-L183 PolarHBondContact O-N 3.41Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 2.9Å; L180-V184 VanDerWaalsContact O-N 3.15Å; L180-L202 HydrophobicContact CD2-CD1 4.27Å; L180-L202 HydrophobicContact CD2-CD2 4.49Å; L180-L202 HydrophobicContact CG-CD1 4.45Å; L180-L276 HydrophobicContact CD2-CD2 4.49Å; L180-I279 HydrophobicContact CD2-CB 3.67Å; L180-I279 HydrophobicContact CD2-CG1 3.83Å; L180-I279 HydrophobicContact CD2-CG2 3.15Å; L180-F306 HydrophobicContact CD1-CE1 4.44Å; L180-F306 HydrophobicContact CD1-CZ 4.11Å; L180-L310 HydrophobicContact CB-CD2 4.42Å; L180-L310 HydrophobicContact CD1-CD1 4.45Å
181F97.2Very high96.3Very high24 Ų2437.9 Ų37.911%0.10520%0.203CC..Hα-helixtrans-65.8-38.2178.8-80.3-101.4000112.1M1 P2 P4 F7 L177 R178 V184 K185 F306 W309M1-F181 HydrophobicContact CE-CD1 4.35Å; M1-F181 WeakPolarHBondContact CE-O 3.46Å; P2-F181 HydrophobicContact CG-CE1 4.23Å; P2-F181 WeakPolarHBondContact O-CD1 3.22Å; P2-F181 WeakPolarHBondContact O-CE1 3.39Å; P4-F181 HydrophobicContact CB-CE2 4.39Å; P4-F181 HydrophobicContact CB-CZ 4.41Å; P4-F181 HydrophobicContact CG-CD2 4.37Å; P4-F181 HydrophobicContact CG-CE2 3.72Å; P4-F181 HydrophobicContact CG-CZ 3.93Å; F7-F181 HydrophobicContact CD2-CZ 4.33Å; F7-F181 HydrophobicContact CE2-CE1 4.41Å; F7-F181 HydrophobicContact CE2-CZ 4.18Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.27Å; L177-F181 PolarHBondContact O-N 2.9Å; R178-F181 PolarHBondContact O-N 2.92Å; F181-V184 PolarHBondContact O-N 3.4Å; F181-K185 PolarHBondContact O-N 3.03Å; F181-K185 VanDerWaalsContact O-N 3.11Å; F181-F306 AromaticContact CE2-CE2 3.59Å; F181-F306 HydrophobicContact CE2-CE2 3.59Å; F181-F306 HydrophobicContact CE2-CZ 4.21Å; F181-F306 HydrophobicContact CZ-CD2 4.47Å; F181-F306 AromaticContact CZ-CE2 3.81Å; F181-F306 HydrophobicContact CZ-CE2 3.81Å; F181-W309 AromaticContact CD1-CH2 3.4Å; F181-W309 HydrophobicContact CD1-CH2 3.4Å; F181-W309 HydrophobicContact CD1-CZ2 4.07Å; F181-W309 HydrophobicContact CD1-CZ3 4.08Å; F181-W309 HydrophobicContact CD2-CH2 4.27Å; F181-W309 HydrophobicContact CD2-CZ3 4.32Å; F181-W309 AromaticContact CE1-CH2 3.5Å; F181-W309 HydrophobicContact CE1-CH2 3.5Å; F181-W309 HydrophobicContact CE1-CZ2 4.1Å; F181-W309 AromaticContact CE1-CZ3 3.84Å; F181-W309 HydrophobicContact CE1-CZ3 3.84Å; F181-W309 HydrophobicContact CE2-CH2 4.4Å; F181-W309 HydrophobicContact CE2-CZ3 4.15Å; F181-W309 AromaticContact CG-CH2 3.81Å; F181-W309 HydrophobicContact CG-CH2 3.81Å; F181-W309 HydrophobicContact CG-CZ3 4.31Å; F181-W309 HydrophobicContact CZ-CH2 4.04Å; F181-W309 AromaticContact CZ-CZ3 3.89Å; F181-W309 HydrophobicContact CZ-CZ3 3.89Å
182S97.2Very high96.2Very high33 Ų3339.7 Ų39.723%0.23121%0.21CC..Hα-helixtrans-67.2-38.8178.6-56.50000111.9R178 P179 L180 K185 A186R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 3.1Å; R178-S182 PolarHBondContact O-OG 3.06Å; P179-S182 PolarHBondContact O-N 2.91Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.48Å; S182-K185 PolarHBondContact O-N 3.07Å; S182-A186 VanDerWaalsContact O-CB 3.27Å; S182-A186 WeakPolarHBondContact O-CB 3.41Å; S182-A186 PolarHBondContact O-N 3.49Å
183L97.3Very high96.1Very high1 Ų141.3 Ų41.31%0.00522%0.224CC..Hα-helixtrans-63.3-43.4175.1-78.4167.1000112P179 L180 K185 A186 A187 M195 Q198 L199 L202 I279 V317P179-L183 VanDerWaalsContact O-CB 3.26Å; P179-L183 WeakPolarHBondContact O-CB 3.47Å; P179-L183 WeakPolarHBondContact O-CD1 3.45Å; P179-L183 WeakPolarHBondContact O-CG 3.47Å; P179-L183 PolarHBondContact O-N 3.37Å; L180-L183 PolarHBondContact O-N 3.41Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.17Å; L183-A186 PolarHBondContact O-N 2.9Å; L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 2.64Å; L183-M195 HydrophobicContact CD2-CB 4.34Å; L183-M195 HydrophobicContact CD2-CG 4.49Å; L183-M195 WeakPolarHBondContact CD2-O 3.45Å; L183-Q198 HydrophobicContact CD2-CB 3.8Å; L183-Q198 HydrophobicContact CG-CB 3.75Å; L183-L199 HydrophobicContact CD1-CD2 4.16Å; L183-L199 HydrophobicContact CD2-CD2 4.21Å; L183-L199 HydrophobicContact CD2-CG 3.81Å; L183-L202 HydrophobicContact CD1-CD2 3.81Å; L183-I279 HydrophobicContact CB-CD1 4.27Å; L183-I279 HydrophobicContact CB-CG1 4.42Å; L183-I279 HydrophobicContact CD1-CG1 4.31Å; L183-V317 HydrophobicContact CB-CG2 4.05Å; L183-V317 HydrophobicContact CD2-CG2 4.03Å
184V95.8Very high96.1Very high9 Ų942.9 Ų42.96%0.05524%0.235CC..Hα-helixtrans-60.1-44.3175.7171.90000110.9M1 L180 F181 S188 I279 W309 L310 R313M1-V184 HydrophobicContact CE-CB 3.88Å; M1-V184 HydrophobicContact CE-CG1 3.67Å; M1-V184 HydrophobicContact SD-CG1 3.96Å; L180-V184 WeakPolarHBondContact O-CG2 3.49Å; L180-V184 PolarHBondContact O-N 2.9Å; L180-V184 VanDerWaalsContact O-N 3.15Å; F181-V184 PolarHBondContact O-N 3.4Å; V184-S188 PolarHBondContact O-N 3.38Å; V184-S188 VanDerWaalsContact O-N 3.17Å; V184-I279 HydrophobicContact CG2-CD1 3.77Å; V184-W309 HydrophobicContact CB-CH2 4.18Å; V184-W309 HydrophobicContact CB-CZ2 4.23Å; V184-W309 HydrophobicContact CG1-CH2 4.3Å; V184-W309 HydrophobicContact CG1-CZ2 3.84Å; V184-W309 HydrophobicContact CG2-CH2 3.93Å; V184-W309 HydrophobicContact CG2-CZ2 4.25Å; V184-W309 HydrophobicContact CG2-CZ3 4.4Å; V184-L310 HydrophobicContact CG2-CD2 4.06Å; V184-R313 HydrophobicContact CG1-CG 4.44Å
185K95.4Very high96.1Very high120 Ų12042.4 Ų42.452%0.52223%0.231SC..Hα-helixtrans-64.5-49.9176.7-174.2-177.9176.2-168.70111.4M1 F181 S182 L183 A187 S188 D189M1-K185 HydrophobicContact CE-CB 4.24Å; F181-K185 PolarHBondContact O-N 3.03Å; F181-K185 VanDerWaalsContact O-N 3.11Å; S182-K185 PolarHBondContact O-N 3.07Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.17Å; K185-A187 VanDerWaalsContact C-N 3.33Å; K185-A187 PolarHBondContact O-N 3.06Å; K185-S188 WeakPolarHBondContact O-CB 3.41Å; K185-S188 PolarHBondContact O-N 2.56Å; K185-S188 VanDerWaalsContact O-N 3.09Å; K185-D189 WeakPolarHBondContact CG-OD2 3.31Å; K185-D189 PolarHBondContact O-N 3.01Å
186A95.6Very high96.1Very high3 Ų340.2 Ų40.23%0.02522%0.215CC..Hα-helixtrans-61.4-39-178.100000112.7S182 L183 D189 G190 N191 C194 M195S182-A186 VanDerWaalsContact O-CB 3.27Å; S182-A186 WeakPolarHBondContact O-CB 3.41Å; S182-A186 PolarHBondContact O-N 3.49Å; L183-A186 PolarHBondContact O-N 2.9Å; A186-D189 CarbonylContact O-C 3.35Å; A186-D189 PolarHBondContact O-N 3.08Å; A186-G190 PolarHBondContact O-N 3.35Å; A186-N191 HydrophobicContact CB-CB 4.47Å; A186-N191 PolarHBondContact O-N 3.15Å; A186-C194 HydrophobicContact CB-CB 3.93Å; A186-M195 HydrophobicContact CB-CG 3.58Å
187A94.4Very high96.1Very high2 Ų245.2 Ų45.22%0.01724%0.239CC..Hα-helixtrans-68-34.4174.700000112.6L183 K185 M195 V317 Y320L183-A187 VanDerWaalsContact O-CB 3.31Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 2.64Å; K185-A187 VanDerWaalsContact C-N 3.33Å; K185-A187 PolarHBondContact O-N 3.06Å; A187-M195 HydrophobicContact CB-SD 3.9Å; A187-V317 HydrophobicContact CB-CG2 4.21Å; A187-Y320 VanDerWaalsContact O-CE2 3.31Å; A187-Y320 WeakPolarHBondContact O-CE2 3.48Å
188S92.9Very high96.2Very high80 Ų8045.8 Ų45.856%0.55924%0.241SC*.Hα-helixtrans-66.1-41.7172.7-174.90000111.7V184 K185 G190V184-S188 PolarHBondContact O-N 3.38Å; V184-S188 VanDerWaalsContact O-N 3.17Å; K185-S188 WeakPolarHBondContact O-CB 3.41Å; K185-S188 PolarHBondContact O-N 2.56Å; K185-S188 VanDerWaalsContact O-N 3.09Å; S188-G190 VanDerWaalsContact C-N 3.32Å
189D93.9Very high96.2Very high107 Ų10737.3 Ų37.357%0.57221%0.209SC*.Hα-helixtrans-82.5-9.6-177.2-61.9-14.8000112.6K185 A186 N191K185-D189 WeakPolarHBondContact CG-OD2 3.31Å; K185-D189 PolarHBondContact O-N 3.01Å; A186-D189 CarbonylContact O-C 3.35Å; A186-D189 PolarHBondContact O-N 3.08Å; D189-N191 VanDerWaalsContact C-N 3.3Å; D189-N191 PolarHBondContact O-N 3.35Å
190G92.4Very high96.2Very high29 Ų2940.5 Ų40.530%0.29922%0.222SC..THydrogen-bonded Turntrans68.125.4-175.100000114.2A186 S188 E192 Y320A186-G190 PolarHBondContact O-N 3.35Å; S188-G190 VanDerWaalsContact C-N 3.32Å; G190-E192 PolarHBondContact O-N 3.04Å; G190-Y320 WeakPolarHBondContact CA-OH 3.39Å
191N95Very high96.3Very high76 Ų7643.1 Ų43.141%0.40624%0.238SC..  trans-88.689.1-176.5-174.1-23.4000111.2A186 D189 T193 C194 M195A186-N191 HydrophobicContact CB-CB 4.47Å; A186-N191 PolarHBondContact O-N 3.15Å; D189-N191 VanDerWaalsContact C-N 3.3Å; D189-N191 PolarHBondContact O-N 3.35Å; N191-T193 PolarHBondContact O-N 2.69Å; N191-T193 PolarHBondContact OD1-N 3.35Å; N191-C194 HydrophobicContact CB-CB 4.08Å; N191-C194 VanDerWaalsContact CG-CB 3.43Å; N191-C194 PolarHBondContact O-N 2.9Å; N191-C194 WeakPolarHBondContact OD1-CB 3.24Å; N191-C194 PolarHBondContact OD1-N 3.08Å; N191-M195 WeakPolarHBondContact O-CG 3.47Å; N191-M195 PolarHBondContact O-N 2.6Å
192E94.5Very high96.4Very high50 Ų5042 Ų4223%0.23423%0.233CC..Hα-helixtrans-62.9-39.7-177.4-61.8-168.4168.600113.8G190 C194 M195 S196 Y320 T325 L329G190-E192 PolarHBondContact O-N 3.04Å; E192-C194 VanDerWaalsContact C-N 3.32Å; E192-C194 PolarHBondContact O-N 2.86Å; E192-M195 HydrophobicContact CB-CE 4.22Å; E192-M195 HydrophobicContact CG-CE 3.77Å; E192-M195 WeakPolarHBondContact O-CB 3.48Å; E192-M195 PolarHBondContact O-N 2.98Å; E192-M195 VanDerWaalsContact O-N 3.14Å; E192-S196 PolarHBondContact O-N 2.89Å; E192-S196 PolarHBondContact O-OG 3.22Å; E192-Y320 HydrophobicContact CG-CD1 4.5Å; E192-T325 WeakPolarHBondContact OE1-CB 3.15Å; E192-T325 PolarHBondContact OE1-OG1 2.79Å; E192-T325 PolarHBondContact OE2-OG1 2.77Å; E192-L329 HydrophobicContact CB-CD2 4.37Å; E192-L329 HydrophobicContact CG-CD2 4.18Å
193T95.8Very high96.4Very high88 Ų8840.4 Ų40.454%0.5422%0.222SC..Hα-helixtrans-59.5-44.9177-53.80000111.2N191 S196 Q197N191-T193 PolarHBondContact O-N 2.69Å; N191-T193 PolarHBondContact OD1-N 3.35Å; T193-S196 PolarHBondContact O-N 3.08Å; T193-Q197 VanDerWaalsContact O-CG 3.31Å; T193-Q197 WeakPolarHBondContact O-CG 3.41Å; T193-Q197 PolarHBondContact O-N 3.22Å; T193-Q197 VanDerWaalsContact O-N 3.15Å
194C97.1Very high96.5Very high33 Ų3343.9 Ų43.922%0.22325%0.246CC..Hα-helixtrans-66.1-41175.7-172.50000111.3A186 N191 E192 S196 Q197 Q198A186-C194 HydrophobicContact CB-CB 3.93Å; N191-C194 HydrophobicContact CB-CB 4.08Å; N191-C194 VanDerWaalsContact CG-CB 3.43Å; N191-C194 PolarHBondContact O-N 2.9Å; N191-C194 WeakPolarHBondContact OD1-CB 3.24Å; N191-C194 PolarHBondContact OD1-N 3.08Å; E192-C194 VanDerWaalsContact C-N 3.32Å; E192-C194 PolarHBondContact O-N 2.86Å; C194-S196 PolarHBondContact O-N 3.39Å; C194-Q197 PolarHBondContact O-N 2.92Å; C194-Q198 WeakPolarHBondContact O-CB 3.16Å; C194-Q198 VanDerWaalsContact O-CG 3.26Å; C194-Q198 WeakPolarHBondContact O-CG 3.16Å; C194-Q198 PolarHBondContact O-N 3.26Å
195M97.3Very high96.6Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-57.3-49.4175.6-72.1-171.8-75.600111.7L183 A186 A187 N191 E192 Q197 Q198 L199 V317 Y320 L329L183-M195 HydrophobicContact CD2-CB 4.34Å; L183-M195 HydrophobicContact CD2-CG 4.49Å; L183-M195 WeakPolarHBondContact CD2-O 3.45Å; A186-M195 HydrophobicContact CB-CG 3.58Å; A187-M195 HydrophobicContact CB-SD 3.9Å; N191-M195 WeakPolarHBondContact O-CG 3.47Å; N191-M195 PolarHBondContact O-N 2.6Å; E192-M195 HydrophobicContact CB-CE 4.22Å; E192-M195 HydrophobicContact CG-CE 3.77Å; E192-M195 WeakPolarHBondContact O-CB 3.48Å; E192-M195 PolarHBondContact O-N 2.98Å; E192-M195 VanDerWaalsContact O-N 3.14Å; M195-Q197 PolarHBondContact O-N 2.97Å; M195-Q198 PolarHBondContact O-N 3.48Å; M195-L199 WeakPolarHBondContact O-CB 3.32Å; M195-L199 VanDerWaalsContact O-CG 3.3Å; M195-L199 WeakPolarHBondContact O-CG 3.32Å; M195-L199 PolarHBondContact O-N 2.75Å; M195-V317 HydrophobicContact SD-CG2 4.5Å; M195-Y320 HydrophobicContact CE-CD1 3.94Å; M195-Y320 HydrophobicContact CE-CD2 3.98Å; M195-Y320 HydrophobicContact CE-CE1 4.42Å; M195-Y320 HydrophobicContact CE-CE2 4.45Å; M195-Y320 HydrophobicContact CE-CG 3.72Å; M195-Y320 HydrophobicContact SD-CD2 4.2Å; M195-Y320 HydrophobicContact SD-CG 4.38Å; M195-L329 HydrophobicContact CB-CD1 3.71Å; M195-L329 HydrophobicContact CE-CD2 4.32Å
196S97.3Very high96.8Very high1 Ų138.3 Ų38.31%0.00722%0.223CC..Hα-helixtrans-58.8-47.5178.8-59.10000112.4E192 T193 C194 Q198 L199 Y200 L329 S332E192-S196 PolarHBondContact O-N 2.89Å; E192-S196 PolarHBondContact O-OG 3.22Å; T193-S196 PolarHBondContact O-N 3.08Å; C194-S196 PolarHBondContact O-N 3.39Å; S196-Q198 PolarHBondContact O-N 2.9Å; S196-L199 PolarHBondContact O-N 2.78Å; S196-Y200 VanDerWaalsContact O-CD2 3.23Å; S196-Y200 WeakPolarHBondContact O-CD2 3.04Å; S196-Y200 PolarHBondContact O-N 3.48Å; S196-L329 WeakPolarHBondContact OG-CA 3.45Å; S196-L329 PolarHBondContact OG-N 3.36Å; S196-S332 WeakPolarHBondContact CA-OG 3.49Å
197Q98.3Very high96.9Very high105 Ų10542.5 Ų42.549%0.49124%0.238SC..Hα-helixtrans-60.2-43.5178.2-71.6172.6-5.900112.4T193 C194 M195 Y200 T201T193-Q197 VanDerWaalsContact O-CG 3.31Å; T193-Q197 WeakPolarHBondContact O-CG 3.41Å; T193-Q197 PolarHBondContact O-N 3.22Å; T193-Q197 VanDerWaalsContact O-N 3.15Å; C194-Q197 PolarHBondContact O-N 2.92Å; M195-Q197 PolarHBondContact O-N 2.97Å; Q197-Y200 PolarHBondContact O-N 3.44Å; Q197-T201 PolarHBondContact O-N 3.44Å; Q197-T201 VanDerWaalsContact O-N 3.1Å; Q197-T201 PolarHBondContact O-OG1 2.86Å
198Q98.6Very high97.1Very high19 Ų1943 Ų439%0.08924%0.243CC..Hα-helixtrans-74.4-28.7-179.8-62.2-54-56.900112.3P179 L183 C194 M195 S196 T201 L202P179-Q198 HydrophobicContact CB-CB 4.28Å; P179-Q198 WeakPolarHBondContact CB-O 3.49Å; L183-Q198 HydrophobicContact CD2-CB 3.8Å; L183-Q198 HydrophobicContact CG-CB 3.75Å; C194-Q198 WeakPolarHBondContact O-CB 3.16Å; C194-Q198 VanDerWaalsContact O-CG 3.26Å; C194-Q198 WeakPolarHBondContact O-CG 3.16Å; C194-Q198 PolarHBondContact O-N 3.26Å; M195-Q198 PolarHBondContact O-N 3.48Å; S196-Q198 PolarHBondContact O-N 2.9Å; Q198-T201 PolarHBondContact O-N 3.39Å; Q198-L202 VanDerWaalsContact O-CB 3.31Å; Q198-L202 WeakPolarHBondContact O-CB 3.33Å; Q198-L202 PolarHBondContact O-N 3Å
199L98.7Very high97.3Very high1 Ų139.1 Ų39.11%0.00522%0.216CC..Hα-helixtrans-66.2-43.7170.6-77.3165.7000111.7L183 M195 S196 T201 L202 A203 L280 V317 L329 Y333 C336L183-L199 HydrophobicContact CD1-CD2 4.16Å; L183-L199 HydrophobicContact CD2-CD2 4.21Å; L183-L199 HydrophobicContact CD2-CG 3.81Å; M195-L199 WeakPolarHBondContact O-CB 3.32Å; M195-L199 VanDerWaalsContact O-CG 3.3Å; M195-L199 WeakPolarHBondContact O-CG 3.32Å; M195-L199 PolarHBondContact O-N 2.75Å; S196-L199 PolarHBondContact O-N 2.78Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.77Å; L199-L202 PolarHBondContact O-N 3.45Å; L199-A203 WeakPolarHBondContact O-CB 3.04Å; L199-A203 PolarHBondContact O-N 3.12Å; L199-L280 HydrophobicContact CD2-CD2 4.11Å; L199-V317 HydrophobicContact CD1-CG1 3.9Å; L199-V317 HydrophobicContact CD2-CG1 4.18Å; L199-V317 HydrophobicContact CG-CG1 4.37Å; L199-L329 HydrophobicContact CD1-CD1 3.71Å; L199-Y333 HydrophobicContact CD2-CD2 4.34Å; L199-C336 PolarHBondContact O-SG 3.1Å
200Y98.7Very high97.5Very high70 Ų7036.2 Ų36.228%0.27520%0.197SC..Hα-helixtrans-60.6-41.2173-73.7-55.6000112.2S196 Q197 A203 S204 E328 N331S196-Y200 VanDerWaalsContact O-CD2 3.23Å; S196-Y200 WeakPolarHBondContact O-CD2 3.04Å; S196-Y200 PolarHBondContact O-N 3.48Å; Q197-Y200 PolarHBondContact O-N 3.44Å; Y200-A203 PolarHBondContact O-N 2.62Å; Y200-S204 PolarHBondContact O-N 3.25Å; Y200-E328 HydrophobicContact CE2-CG 4.14Å; Y200-N331 PolarHBondContact OH-ND2 2.86Å
201T98.6Very high97.8Very high54 Ų5440.6 Ų40.633%0.33121%0.21SC..Hα-helixtrans-62-45.6175.1-53.90000110.9P179 Q197 Q198 L199 A203 S204 S205P179-T201 HydrophobicContact CB-CG2 4.29Å; P179-T201 HydrophobicContact CG-CG2 4.1Å; Q197-T201 PolarHBondContact O-N 3.44Å; Q197-T201 VanDerWaalsContact O-N 3.1Å; Q197-T201 PolarHBondContact O-OG1 2.86Å; Q198-T201 PolarHBondContact O-N 3.39Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.77Å; T201-A203 PolarHBondContact O-N 3.3Å; T201-S204 WeakPolarHBondContact O-CB 3.37Å; T201-S204 PolarHBondContact O-N 2.91Å; T201-S205 PolarHBondContact O-N 3.06Å; T201-S205 PolarHBondContact O-OG 3.5Å
202L98.8Very high97.9Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-61.5-43.7177.7-176.662.9000111.9T176 P179 L180 L183 Q198 L199 S204 S205 I206 L276 I279 L280T176-L202 HydrophobicContact CG2-CD1 4.03Å; P179-L202 HydrophobicContact CB-CB 4.13Å; P179-L202 HydrophobicContact CG-CB 4.33Å; P179-L202 HydrophobicContact CG-CD1 4.27Å; L180-L202 HydrophobicContact CD2-CD1 4.27Å; L180-L202 HydrophobicContact CD2-CD2 4.49Å; L180-L202 HydrophobicContact CG-CD1 4.45Å; L183-L202 HydrophobicContact CD1-CD2 3.81Å; Q198-L202 VanDerWaalsContact O-CB 3.31Å; Q198-L202 WeakPolarHBondContact O-CB 3.33Å; Q198-L202 PolarHBondContact O-N 3Å; L199-L202 PolarHBondContact O-N 3.45Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 2.86Å; L202-S205 WeakPolarHBondContact O-CB 3.39Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.17Å; L202-I206 HydrophobicContact CD1-CD1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.94Å; L202-I206 HydrophobicContact CG-CG1 4.48Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.23Å; L202-I206 PolarHBondContact O-N 3.12Å; L202-L276 HydrophobicContact CD1-CD2 3.89Å; L202-I279 HydrophobicContact CD2-CG2 4.39Å; L202-L280 HydrophobicContact CD2-CD2 4.3Å
203A98.8Very high98Very high0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-59.4-4317600000111.7L199 Y200 T201 S205 I206 R207 Q335 E339L199-A203 WeakPolarHBondContact O-CB 3.04Å; L199-A203 PolarHBondContact O-N 3.12Å; Y200-A203 PolarHBondContact O-N 2.62Å; T201-A203 PolarHBondContact O-N 3.3Å; A203-S205 VanDerWaalsContact C-N 3.34Å; A203-S205 PolarHBondContact O-N 2.68Å; A203-I206 PolarHBondContact O-N 2.93Å; A203-R207 PolarHBondContact O-N 3.2Å; A203-Q335 HydrophobicContact CB-CB 4.3Å; A203-Q335 HydrophobicContact CB-CG 3.86Å; A203-E339 HydrophobicContact CB-CG 4.1Å
204S98.7Very high98.1Very high75 Ų7535.7 Ų35.752%0.52418%0.178SC..Hα-helixtrans-61.1-41.7174.6-168.60000112.1Y200 T201 L202 R207 G208Y200-S204 PolarHBondContact O-N 3.25Å; T201-S204 WeakPolarHBondContact O-CB 3.37Å; T201-S204 PolarHBondContact O-N 2.91Å; L202-S204 VanDerWaalsContact C-N 3.31Å; L202-S204 PolarHBondContact O-N 2.86Å; S204-R207 WeakPolarHBondContact O-CB 3.43Å; S204-R207 PolarHBondContact O-N 3.2Å; S204-G208 PolarHBondContact O-N 3.03Å
205S98.5Very high98.1Very high12 Ų1236.5 Ų36.58%0.08418%0.176CC..Hα-helixtrans-64.4-43.2176-68.50000112.8S175 T201 L202 A203 R207 G208 M209S175-S205 PolarHBondContact O-OG 3.5Å; S175-S205 WeakPolarHBondContact OG-CB 3.16Å; S175-S205 PolarHBondContact OG-OG 2.93Å; T201-S205 PolarHBondContact O-N 3.06Å; T201-S205 PolarHBondContact O-OG 3.5Å; L202-S205 WeakPolarHBondContact O-CB 3.39Å; L202-S205 PolarHBondContact O-N 2.99Å; L202-S205 VanDerWaalsContact O-N 3.17Å; A203-S205 VanDerWaalsContact C-N 3.34Å; A203-S205 PolarHBondContact O-N 2.68Å; S205-R207 VanDerWaalsContact C-N 3.27Å; S205-R207 PolarHBondContact O-N 3.09Å; S205-G208 PolarHBondContact O-N 2.89Å; S205-G208 VanDerWaalsContact O-N 3.15Å; S205-M209 WeakPolarHBondContact O-CG 3.43Å; S205-M209 PolarHBondContact O-N 2.58Å
206I98.7Very high98.1Very high0 Ų037.5 Ų37.50%018%0.182CC..Hα-helixtrans-62.4-38177.1-63.6163.4000110.6L202 A203 M209 R210 L276 C336 E339 M340L202-I206 HydrophobicContact CD1-CD1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.94Å; L202-I206 HydrophobicContact CG-CG1 4.48Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.23Å; L202-I206 PolarHBondContact O-N 3.12Å; A203-I206 PolarHBondContact O-N 2.93Å; I206-M209 WeakPolarHBondContact O-CB 3.18Å; I206-M209 PolarHBondContact O-N 3.31Å; I206-R210 PolarHBondContact O-N 2.85Å; I206-R210 VanDerWaalsContact O-N 3.08Å; I206-L276 HydrophobicContact CD1-CD1 4.39Å; I206-L276 HydrophobicContact CD1-CD2 4.27Å; I206-L276 HydrophobicContact CG1-CD1 3.99Å; I206-L276 HydrophobicContact CG1-CD2 4.22Å; I206-C336 HydrophobicContact CD1-CB 4.47Å; I206-E339 HydrophobicContact CB-CB 4.02Å; I206-E339 HydrophobicContact CG2-CB 3.67Å; I206-M340 HydrophobicContact CD1-CG 4.02Å; I206-M340 HydrophobicContact CD1-SD 3.99Å; I206-M340 HydrophobicContact CG1-SD 4.38Å; I206-M340 HydrophobicContact CG2-CG 4.41Å; I206-M340 HydrophobicContact CG2-SD 3.92Å
207R98.6Very high98.1Very high90 Ų9041.6 Ų41.634%0.3420%0.199SC..Hα-helixtrans-61.2-45.6173.3-170.6-176-54.2-177.37.2112A203 S204 S205 M209 R210 E211 E339A203-R207 PolarHBondContact O-N 3.2Å; S204-R207 WeakPolarHBondContact O-CB 3.43Å; S204-R207 PolarHBondContact O-N 3.2Å; S205-R207 VanDerWaalsContact C-N 3.27Å; S205-R207 PolarHBondContact O-N 3.09Å; R207-M209 VanDerWaalsContact C-N 3.32Å; R207-M209 PolarHBondContact O-N 3.42Å; R207-R210 WeakPolarHBondContact O-CA 3.42Å; R207-R210 VanDerWaalsContact O-CB 3.31Å; R207-R210 WeakPolarHBondContact O-CB 3.37Å; R207-R210 PolarHBondContact O-N 3.46Å; R207-E211 WeakPolarHBondContact O-CG 3.43Å; R207-E211 PolarHBondContact O-N 3.29Å; R207-E339 IonicContact CZ-OE1 2.89Å; R207-E339 IonicContact NE-OE1 3.64Å; R207-E339 PolarHBondContact NE-OE1 3.19Å; R207-E339 IonicContact NE-OE2 2.76Å; R207-E339 IonicContact NH2-OE1 3.56Å; R207-E339 PolarHBondContact NH2-OE1 2.98Å
208G97.8Very high98Very high12 Ų1241.2 Ų41.212%0.12420%0.2CC..Hα-helixtrans-55.4-46.8174.700000111.9S204 S205 R210 E211 K212S204-G208 PolarHBondContact O-N 3.03Å; S205-G208 PolarHBondContact O-N 2.89Å; S205-G208 VanDerWaalsContact O-N 3.15Å; G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 2.7Å; G208-E211 WeakPolarHBondContact O-CB 3.5Å; G208-E211 PolarHBondContact O-N 3.25Å; G208-E211 VanDerWaalsContact O-N 3.16Å; G208-K212 WeakPolarHBondContact O-CG 3.3Å; G208-K212 PolarHBondContact O-N 3.03Å
209M98.1Very high98Very high0 Ų043.8 Ų43.80%021%0.212CC..Hα-helixtrans-58.3-38.5175.6-63.4167.353.300112.5E172 F173 T176 S205 I206 R207 K212 M213 T272 L276 F343E172-M209 HydrophobicContact CB-CG 4.09Å; E172-M209 HydrophobicContact CG-CB 4.24Å; E172-M209 HydrophobicContact CG-CG 3.74Å; F173-M209 HydrophobicContact CB-CE 4.28Å; F173-M209 HydrophobicContact CB-SD 4.13Å; F173-M209 HydrophobicContact CD2-CE 4.12Å; F173-M209 HydrophobicContact CD2-SD 3.94Å; T176-M209 HydrophobicContact CG2-SD 3.93Å; S205-M209 WeakPolarHBondContact O-CG 3.43Å; S205-M209 PolarHBondContact O-N 2.58Å; I206-M209 WeakPolarHBondContact O-CB 3.18Å; I206-M209 PolarHBondContact O-N 3.31Å; R207-M209 VanDerWaalsContact C-N 3.32Å; R207-M209 PolarHBondContact O-N 3.42Å; M209-K212 PolarHBondContact O-N 2.94Å; M209-M213 PolarHBondContact O-N 3.43Å; M209-T272 HydrophobicContact CE-CG2 3.16Å; M209-T272 HydrophobicContact SD-CG2 4.48Å; M209-L276 HydrophobicContact CE-CD1 4.2Å; M209-L276 HydrophobicContact SD-CD1 4.34Å; M209-F343 HydrophobicContact CB-CD2 4.47Å; M209-F343 HydrophobicContact CB-CE2 4.08Å; M209-F343 HydrophobicContact CE-CE2 4.27Å
210R97.6Very high98Very high45 Ų4544.2 Ų44.217%0.1721%0.214CC..Hα-helixtrans-67.2-42.4178-164.9-179.372.7-132.3-7.6111.9I206 R207 G208 K212 M213 Q214 E339 F343 D346I206-R210 PolarHBondContact O-N 2.85Å; I206-R210 VanDerWaalsContact O-N 3.08Å; R207-R210 WeakPolarHBondContact O-CA 3.42Å; R207-R210 VanDerWaalsContact O-CB 3.31Å; R207-R210 WeakPolarHBondContact O-CB 3.37Å; R207-R210 PolarHBondContact O-N 3.46Å; G208-R210 VanDerWaalsContact C-N 3.25Å; G208-R210 PolarHBondContact O-N 2.7Å; R210-K212 VanDerWaalsContact C-N 3.31Å; R210-K212 PolarHBondContact O-N 3.47Å; R210-M213 HydrophobicContact CG-CE 4.4Å; R210-M213 WeakPolarHBondContact O-CB 3.23Å; R210-M213 PolarHBondContact O-N 3.17Å; R210-Q214 PolarHBondContact O-N 2.87Å; R210-E339 IonicContact CZ-OE2 3.1Å; R210-E339 IonicContact NH1-OE2 3.63Å; R210-E339 PolarHBondContact NH1-OE2 3.45Å; R210-E339 IonicContact NH2-OE2 3.2Å; R210-F343 HydrophobicContact CB-CD2 4.04Å; R210-F343 HydrophobicContact CG-CD2 4.36Å; R210-D346 WeakPolarHBondContact CD-OD2 3.24Å; R210-D346 HydrophobicContact CG-CB 4.39Å; R210-D346 WeakPolarHBondContact CG-OD2 3.3Å; R210-D346 IonicContact NE-OD2 3.82Å
211E97.5Very high97.9Very high121 Ų12144.3 Ų44.357%0.56522%0.22SC*.Hα-helixtrans-60.3-42.5174.5-69.2168.5-17200111.1R207 G208 M213 Q214R207-E211 WeakPolarHBondContact O-CG 3.43Å; R207-E211 PolarHBondContact O-N 3.29Å; G208-E211 WeakPolarHBondContact O-CB 3.5Å; G208-E211 PolarHBondContact O-N 3.25Å; G208-E211 VanDerWaalsContact O-N 3.16Å; E211-M213 PolarHBondContact O-N 2.98Å; E211-Q214 PolarHBondContact O-N 3.27Å
212K97.3Very high97.8Very high46 Ų4643.4 Ų43.420%0.222%0.215CC..Hα-helixtrans-62.6-39.5173.9-63.9-52.1-166.1161.60112.6E168 V169 E172 G208 M209 R210 Q214 R215E168-K212 HydrophobicContact CG-CB 4.48Å; E168-K212 HydrophobicContact CG-CD 3.98Å; E168-K212 HydrophobicContact CG-CG 4.32Å; E168-K212 WeakPolarHBondContact OE1-CD 3.42Å; E168-K212 WeakPolarHBondContact OE1-CE 3.48Å; E168-K212 IonicContact OE1-NZ 2.69Å; E168-K212 PolarHBondContact OE1-NZ 3.32Å; V169-K212 HydrophobicContact CG2-CB 3.97Å; E172-K212 HydrophobicContact CB-CG 3.95Å; E172-K212 HydrophobicContact CG-CG 3.87Å; G208-K212 WeakPolarHBondContact O-CG 3.3Å; G208-K212 PolarHBondContact O-N 3.03Å; M209-K212 PolarHBondContact O-N 2.94Å; R210-K212 VanDerWaalsContact C-N 3.31Å; R210-K212 PolarHBondContact O-N 3.47Å; K212-Q214 PolarHBondContact O-N 2.71Å; K212-R215 WeakPolarHBondContact O-CB 3.47Å; K212-R215 PolarHBondContact O-N 2.96Å
213M97.4Very high97.5Very high7 Ų749.3 Ų49.33%0.03424%0.24CC..Hα-helixtrans-61-32-179.9-174.4176.16100112.7V169 M209 R210 E211 R215 L216 F343 D346 H347 L350V169-M213 HydrophobicContact CG2-CB 3.99Å; M209-M213 PolarHBondContact O-N 3.43Å; R210-M213 HydrophobicContact CG-CE 4.4Å; R210-M213 WeakPolarHBondContact O-CB 3.23Å; R210-M213 PolarHBondContact O-N 3.17Å; E211-M213 PolarHBondContact O-N 2.98Å; M213-R215 PolarHBondContact O-N 3.21Å; M213-L216 HydrophobicContact CG-CD1 4.16Å; M213-L216 WeakPolarHBondContact O-CB 3.29Å; M213-L216 PolarHBondContact O-N 3.39Å; M213-L216 VanDerWaalsContact O-N 3.16Å; M213-F343 HydrophobicContact CE-CD1 4.45Å; M213-F343 HydrophobicContact CE-CD2 4.41Å; M213-F343 HydrophobicContact CE-CE1 4.35Å; M213-F343 HydrophobicContact CE-CE2 4.35Å; M213-F343 HydrophobicContact CE-CG 4.46Å; M213-F343 HydrophobicContact CE-CZ 4.31Å; M213-F343 WeakPolarHBondContact CE-O 3.21Å; M213-F343 HydrophobicContact SD-CE1 3.88Å; M213-F343 HydrophobicContact SD-CE2 4.17Å; M213-F343 HydrophobicContact SD-CZ 3.68Å; M213-D346 HydrophobicContact CE-CB 3.36Å; M213-H347 HydrophobicContact CE-CB 4.2Å; M213-H347 HydrophobicContact SD-CB 3.95Å; M213-L350 HydrophobicContact CE-CD1 4.47Å; M213-L350 HydrophobicContact CG-CD1 3.72Å; M213-L350 HydrophobicContact SD-CD1 4.09Å
214Q97.2Very high97.4Very high59 Ų5949.8 Ų49.828%0.27624%0.243SC..G310 helixtrans-63-22.4176.3-61.3-58.3-33.400112.8R210 E211 K212 L216 K217 D346R210-Q214 PolarHBondContact O-N 2.87Å; E211-Q214 PolarHBondContact O-N 3.27Å; K212-Q214 PolarHBondContact O-N 2.71Å; Q214-L216 PolarHBondContact O-N 3.1Å; Q214-K217 WeakPolarHBondContact O-CB 3.4Å; Q214-K217 PolarHBondContact O-N 2.72Å; Q214-K217 VanDerWaalsContact O-N 3.14Å; Q214-D346 VanDerWaalsContact NE2-CG 3.28Å; Q214-D346 PolarHBondContact NE2-OD2 3.06Å
215R97.2Very high97.2Very high49 Ų4947 Ų4719%0.18522%0.222CC..G310 helixtrans-64.5-19.9176.7-64.9176.957.775.2-6.6113.2N142 E144 W161 E168 K212 M213 K217 L218N142-R215 PolarHBondContact OD1-NH2 3.23Å; E144-R215 IonicContact OE2-CZ 2.9Å; E144-R215 IonicContact OE2-NH1 2.72Å; E144-R215 IonicContact OE2-NH2 2.6Å; E144-R215 PolarHBondContact OE2-NH2 3.02Å; W161-R215 HydrophobicContact CZ2-CB 4.26Å; W161-R215 WeakPolarHBondContact CZ2-O 3.2Å; W161-R215 PolarHBondContact NE1-O 2.66Å; E168-R215 IonicContact OE1-NE 3.43Å; E168-R215 PolarHBondContact OE1-NE 3.1Å; E168-R215 IonicContact OE2-CZ 3.71Å; E168-R215 IonicContact OE2-NE 3.71Å; E168-R215 PolarHBondContact OE2-NE 3.04Å; E168-R215 IonicContact OE2-NH2 3.53Å; K212-R215 WeakPolarHBondContact O-CB 3.47Å; K212-R215 PolarHBondContact O-N 2.96Å; M213-R215 PolarHBondContact O-N 3.21Å; R215-K217 PolarHBondContact O-N 2.69Å; R215-L218 HydrophobicContact CB-CD1 4.15Å; R215-L218 HydrophobicContact CG-CD1 4.19Å; R215-L218 WeakPolarHBondContact O-CB 3.29Å; R215-L218 PolarHBondContact O-N 2.82Å
216L97.1Very high96.9Very high22 Ų2246.9 Ų46.912%0.11522%0.22CC..G310 helixtrans-50.4-33.5171.3-81.9163.7000111.6W161 F162 A165 M213 Q214 L218 L220 L350W161-L216 PolarHBondContact NE1-O 2.67Å; F162-L216 HydrophobicContact CD2-CD2 4.29Å; A165-L216 HydrophobicContact CB-CD2 3.81Å; A165-L216 HydrophobicContact CB-CG 4.07Å; M213-L216 HydrophobicContact CG-CD1 4.16Å; M213-L216 WeakPolarHBondContact O-CB 3.29Å; M213-L216 PolarHBondContact O-N 3.39Å; M213-L216 VanDerWaalsContact O-N 3.16Å; Q214-L216 PolarHBondContact O-N 3.1Å; L216-L218 VanDerWaalsContact C-N 3.3Å; L216-L218 PolarHBondContact O-N 3.2Å; L216-L220 HydrophobicContact CD2-CD2 4.35Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 3.08Å; L216-L350 HydrophobicContact CD1-CD1 4.01Å
217K97.7Very high96.6Very high87 Ų8749.3 Ų49.338%0.37823%0.233SC..G310 helixtrans-71.7-14.2-178.7-61176177.71640115.5Q214 R215 L350 Y354Q214-K217 WeakPolarHBondContact O-CB 3.4Å; Q214-K217 PolarHBondContact O-N 2.72Å; Q214-K217 VanDerWaalsContact O-N 3.14Å; R215-K217 PolarHBondContact O-N 2.69Å; K217-L350 HydrophobicContact CD-CD2 4.22Å; K217-L350 VanDerWaalsContact CE-CD2 3.41Å; K217-L350 HydrophobicContact CG-CD2 3.76Å; K217-Y354 WeakPolarHBondContact CA-OH 3.27Å; K217-Y354 HydrophobicContact CG-CE2 4.38Å
218L97.5Very high96.3Very high96 Ų9648.9 Ų48.950%0.50323%0.234SC..THydrogen-bonded Turntrans-71.6-42.7-171.3-66.6178.3000113.4W161 R215 L216W161-L218 HydrophobicContact CZ2-CB 3.93Å; W161-L218 HydrophobicContact CZ2-CD1 4.08Å; W161-L218 HydrophobicContact CZ2-CG 4.49Å; R215-L218 HydrophobicContact CB-CD1 4.15Å; R215-L218 HydrophobicContact CG-CD1 4.19Å; R215-L218 WeakPolarHBondContact O-CB 3.29Å; R215-L218 PolarHBondContact O-N 2.82Å; L216-L218 VanDerWaalsContact C-N 3.3Å; L216-L218 PolarHBondContact O-N 3.2Å
219H97.9Very high96.2Very high73 Ų7348.3 Ų48.334%0.33823%0.229SC..THydrogen-bonded Turntrans-135.513-175.9-46.5-61.3000113.8Y157 S158 W161Y157-H219 HydrophobicContact CD1-CB 3.7Å; Y157-H219 HydrophobicContact CE1-CB 3.84Å; Y157-H219 AromaticContact CE1-CD2 3.75Å; Y157-H219 AromaticContact CE1-CG 3.82Å; S158-H219 WeakPolarHBondContact CA-O 3.34Å; S158-H219 PolarHBondContact OG-O 2.99Å; W161-H219 HydrophobicContact CB-CB 3.92Å; W161-H219 HydrophobicContact CD2-CB 3.85Å; W161-H219 AromaticContact CD2-CD2 3.52Å; W161-H219 AromaticContact CE2-CD2 3.53Å; W161-H219 AromaticContact CE3-CD2 3.61Å; W161-H219 HydrophobicContact CG-CB 3.54Å; W161-H219 AromaticContact CH2-CD2 3.68Å; W161-H219 AromaticContact CZ2-CD2 3.63Å; W161-H219 AromaticContact CZ3-CD2 3.69Å
220L98.3Very high96Very high11 Ų1148.5 Ų48.56%0.05823%0.229CC..  trans-97.4109172.7-170.861.7000109S158 F162 L216 F225 Y354S158-L220 WeakPolarHBondContact O-CD1 3.05Å; F162-L220 HydrophobicContact CB-CD1 3.87Å; F162-L220 HydrophobicContact CD2-CD2 4Å; L216-L220 HydrophobicContact CD2-CD2 4.35Å; L216-L220 WeakPolarHBondContact O-CB 3.43Å; L216-L220 PolarHBondContact O-N 3.08Å; L220-F225 HydrophobicContact CD1-CB 3.93Å; L220-F225 HydrophobicContact CD1-CD2 4.1Å; L220-F225 HydrophobicContact CD1-CG 4.36Å; L220-F225 HydrophobicContact CD2-CB 4.49Å; L220-F225 HydrophobicContact CD2-CD2 4.23Å; L220-F225 HydrophobicContact CD2-CG 4.36Å; L220-F225 HydrophobicContact CG-CB 4.14Å; L220-Y354 HydrophobicContact CB-CE1 3.87Å; L220-Y354 HydrophobicContact CD2-CD1 3.79Å; L220-Y354 HydrophobicContact CD2-CE1 3.56Å; L220-Y354 HydrophobicContact CG-CD1 3.99Å; L220-Y354 HydrophobicContact CG-CE1 3.46Å; L220-Y354 VanDerWaalsContact CG-CE1 3.46Å; L220-Y354 VanDerWaalsContact O-CE1 3.23Å; L220-Y354 WeakPolarHBondContact O-CE1 3.39Å; L220-Y354 PolarHBondContact O-OH 3.37Å
221D97.2Very high95.7Very high72 Ų7247.2 Ų47.239%0.38523%0.227SC..  trans-76.1127.2171.8178-90.1000110.6S158 F223 V224 F225S158-D221 PolarHBondContact OG-N 3.45Å; D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 2.72Å; D221-F223 VanDerWaalsContact OD1-CA 3.29Å; D221-F223 WeakPolarHBondContact OD1-CA 3.47Å; D221-F223 VanDerWaalsContact OD1-CB 3.22Å; D221-F223 WeakPolarHBondContact OD1-CB 3.48Å; D221-F223 PolarHBondContact OD1-N 3.49Å; D221-V224 HydrophobicContact CB-CB 4.03Å; D221-V224 HydrophobicContact CB-CG2 3.88Å; D221-V224 PolarHBondContact O-N 2.98Å; D221-V224 WeakPolarHBondContact OD1-CG2 3.43Å; D221-V224 PolarHBondContact OD1-N 3.41Å; D221-F225 WeakPolarHBondContact O-CB 3.29Å; D221-F225 PolarHBondContact O-N 3.27Å
222P95.3Very high95.7Very high35 Ų3542.3 Ų42.323%0.22720%0.204CC..Hα-helixtrans-60.3-36.1-179.9-25.534.2000114.5F226 Y354 P358P222-F226 VanDerWaalsContact O-CB 3.26Å; P222-F226 WeakPolarHBondContact O-CB 3.45Å; P222-F226 PolarHBondContact O-N 3.05Å; P222-Y354 HydrophobicContact CB-CD1 3.99Å; P222-Y354 HydrophobicContact CB-CE1 4.08Å; P222-Y354 HydrophobicContact CG-CD1 4.08Å; P222-Y354 HydrophobicContact CG-CE1 3.68Å; P222-P358 HydrophobicContact CB-CG 4.11Å
223F93.6Very high95.6Very high124 Ų12440.6 Ų40.654%0.54420%0.197SC..Hα-helixtrans-70.8-45.2179.4175.6-86.1000110.8D221 N227D221-F223 VanDerWaalsContact C-N 3.31Å; D221-F223 PolarHBondContact O-N 2.72Å; D221-F223 VanDerWaalsContact OD1-CA 3.29Å; D221-F223 WeakPolarHBondContact OD1-CA 3.47Å; D221-F223 VanDerWaalsContact OD1-CB 3.22Å; D221-F223 WeakPolarHBondContact OD1-CB 3.48Å; D221-F223 PolarHBondContact OD1-N 3.49Å; F223-N227 WeakPolarHBondContact CD2-ND2 3.42Å; F223-N227 VanDerWaalsContact CE2-ND2 3.28Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.46Å; F223-N227 HydrophobicContact CZ-CB 4.49Å; F223-N227 VanDerWaalsContact O-CB 3.32Å; F223-N227 WeakPolarHBondContact O-CB 3.16Å; F223-N227 PolarHBondContact O-N 2.98Å; F223-N227 PolarHBondContact O-ND2 3.09Å
224V95.6Very high95.4Very high9 Ų940.3 Ų40.36%0.05520%0.195CC..Hα-helixtrans-62.7-47176.11780000110.5L154 D156 D221 F226 Q228 L229L154-V224 HydrophobicContact CD1-CG1 3.78Å; D156-V224 HydrophobicContact CB-CG1 4.03Å; D221-V224 HydrophobicContact CB-CB 4.03Å; D221-V224 HydrophobicContact CB-CG2 3.88Å; D221-V224 PolarHBondContact O-N 2.98Å; D221-V224 WeakPolarHBondContact OD1-CG2 3.43Å; D221-V224 PolarHBondContact OD1-N 3.41Å; V224-F226 PolarHBondContact O-N 3.41Å; V224-Q228 HydrophobicContact CG1-CB 4.42Å; V224-Q228 WeakPolarHBondContact O-CA 3.31Å; V224-Q228 VanDerWaalsContact O-CB 3.29Å; V224-Q228 WeakPolarHBondContact O-CB 3.43Å; V224-Q228 PolarHBondContact O-N 3.16Å; V224-L229 PolarHBondContact O-N 2.95Å; V224-L229 VanDerWaalsContact O-N 3.08Å
225F95.7Very high95.1Very high18 Ų1837.5 Ų37.58%0.07918%0.182CC..Iπ-helixtrans-58-53.5177.8175.6-102.1000111.6F162 L220 D221 L229 R230 L233 Y354 I355F162-F225 HydrophobicContact CD2-CD2 4.02Å; F162-F225 AromaticContact CD2-CE2 3.65Å; F162-F225 HydrophobicContact CD2-CE2 3.65Å; F162-F225 HydrophobicContact CE1-CE2 4.43Å; F162-F225 HydrophobicContact CE2-CD2 4.31Å; F162-F225 AromaticContact CE2-CE2 3.49Å; F162-F225 HydrophobicContact CE2-CE2 3.49Å; F162-F225 VanDerWaalsContact CE2-CE2 3.49Å; F162-F225 HydrophobicContact CE2-CZ 4.1Å; F162-F225 HydrophobicContact CG-CD2 4.42Å; F162-F225 HydrophobicContact CG-CE2 4.21Å; F162-F225 AromaticContact CZ-CE2 3.91Å; F162-F225 HydrophobicContact CZ-CE2 3.91Å; F162-F225 HydrophobicContact CZ-CZ 4.5Å; L220-F225 HydrophobicContact CD1-CB 3.93Å; L220-F225 HydrophobicContact CD1-CD2 4.1Å; L220-F225 HydrophobicContact CD1-CG 4.36Å; L220-F225 HydrophobicContact CD2-CB 4.49Å; L220-F225 HydrophobicContact CD2-CD2 4.23Å; L220-F225 HydrophobicContact CD2-CG 4.36Å; L220-F225 HydrophobicContact CG-CB 4.14Å; D221-F225 WeakPolarHBondContact O-CB 3.29Å; D221-F225 PolarHBondContact O-N 3.27Å; F225-L229 HydrophobicContact CD2-CD2 4.11Å; F225-L229 PolarHBondContact O-N 2.71Å; F225-R230 WeakPolarHBondContact O-CB 3.39Å; F225-R230 PolarHBondContact O-N 3.45Å; F225-L233 HydrophobicContact CE2-CD1 4.48Å; F225-Y354 HydrophobicContact CB-CD1 4.13Å; F225-Y354 HydrophobicContact CD1-CD1 4.14Å; F225-Y354 HydrophobicContact CD1-CG 4.47Å; F225-Y354 WeakPolarHBondContact CD1-O 3.34Å; F225-Y354 HydrophobicContact CG-CD1 4.27Å; F225-I355 HydrophobicContact CE1-CD1 4.26Å; F225-I355 HydrophobicContact CE1-CG1 3.91Å
226F92.6Very high94.9Very high8 Ų835.1 Ų35.14%0.03517%0.173CC..Iπ-helixtrans-67.9-47-173.7-178.9-103.7000112.8P222 V224 I355 P358 R359 V362P222-F226 VanDerWaalsContact O-CB 3.26Å; P222-F226 WeakPolarHBondContact O-CB 3.45Å; P222-F226 PolarHBondContact O-N 3.05Å; V224-F226 PolarHBondContact O-N 3.41Å; F226-I355 HydrophobicContact CD2-CG2 4.29Å; F226-I355 HydrophobicContact CE2-CG2 4.1Å; F226-P358 HydrophobicContact CB-CB 3.65Å; F226-P358 HydrophobicContact CB-CG 4.16Å; F226-P358 HydrophobicContact CD1-CB 3.67Å; F226-P358 HydrophobicContact CD2-CB 4.22Å; F226-P358 HydrophobicContact CE1-CB 4.41Å; F226-P358 HydrophobicContact CG-CB 3.57Å; F226-P358 HydrophobicContact CG-CG 4.44Å; F226-R359 HydrophobicContact CE1-CB 4.25Å; F226-R359 HydrophobicContact CE2-CB 3.87Å; F226-R359 HydrophobicContact CZ-CB 3.52Å; F226-R359 HydrophobicContact CZ-CG 4.04Å; F226-V362 HydrophobicContact CE1-CG2 4.2Å
227N90.5Very high94.2Very high52 Ų5236.5 Ų36.528%0.27818%0.181SC..Iπ-helixtrans-88.9-28.8-170.9-62.9-72.3000113.5F223 V362F223-N227 WeakPolarHBondContact CD2-ND2 3.42Å; F223-N227 VanDerWaalsContact CE2-ND2 3.28Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.46Å; F223-N227 HydrophobicContact CZ-CB 4.49Å; F223-N227 VanDerWaalsContact O-CB 3.32Å; F223-N227 WeakPolarHBondContact O-CB 3.16Å; F223-N227 PolarHBondContact O-N 2.98Å; F223-N227 PolarHBondContact O-ND2 3.09Å; N227-V362 WeakPolarHBondContact OD1-CG2 3.49Å
228Q93.8Very high93.4Very high80 Ų8032.7 Ų32.737%0.37416%0.164SC..Iπ-helixtrans-113.8-47.3-170.4-54.1-176.743.500112.7L154 V224 F232L154-Q228 HydrophobicContact CD1-CB 3.59Å; L154-Q228 HydrophobicContact CD2-CB 3.88Å; L154-Q228 HydrophobicContact CG-CB 4.39Å; V224-Q228 HydrophobicContact CG1-CB 4.42Å; V224-Q228 WeakPolarHBondContact O-CA 3.31Å; V224-Q228 VanDerWaalsContact O-CB 3.29Å; V224-Q228 WeakPolarHBondContact O-CB 3.43Å; V224-Q228 PolarHBondContact O-N 3.16Å; Q228-F232 WeakPolarHBondContact O-CD2 3.49Å; Q228-F232 WeakPolarHBondContact O-CE2 3.39Å
229L95.3Very high92.7Very high0 Ų030.6 Ų30.60%015%0.154CC..Iπ-helixtrans-82.5-46.3-174.7-175.559.7000112.6L154 F162 F163 V224 F225 P231 F232L154-L229 HydrophobicContact CD1-CB 3.85Å; L154-L229 HydrophobicContact CD1-CD1 4.41Å; F162-L229 HydrophobicContact CB-CD2 3.79Å; F162-L229 HydrophobicContact CD1-CD2 3.84Å; F162-L229 HydrophobicContact CG-CD2 3.92Å; F163-L229 HydrophobicContact CE2-CD1 4.25Å; F163-L229 HydrophobicContact CE2-CD2 4.34Å; V224-L229 PolarHBondContact O-N 2.95Å; V224-L229 VanDerWaalsContact O-N 3.08Å; F225-L229 HydrophobicContact CD2-CD2 4.11Å; F225-L229 PolarHBondContact O-N 2.71Å; L229-P231 VanDerWaalsContact C-CD 3.43Å; L229-F232 WeakPolarHBondContact O-CB 3.29Å; L229-F232 PolarHBondContact O-N 3.36Å
230R93.1Very high92Very high4 Ų427.8 Ų27.82%0.01514%0.141CC..Hα-helixtrans-57.2-35-173.5-178.1172.7176-88.8-7.4114.7F225 F232 L233 S234 L370 T373 T375F225-R230 WeakPolarHBondContact O-CB 3.39Å; F225-R230 PolarHBondContact O-N 3.45Å; R230-F232 VanDerWaalsContact C-N 3.3Å; R230-F232 PolarHBondContact O-N 3.19Å; R230-L233 WeakPolarHBondContact O-CB 3.05Å; R230-L233 PolarHBondContact O-N 2.82Å; R230-S234 PolarHBondContact O-N 3.06Å; R230-S234 PolarHBondContact O-OG 3.48Å; R230-S234 VanDerWaalsContact O-OG 3.06Å; R230-L370 VanDerWaalsContact CZ-O 3.26Å; R230-L370 PolarHBondContact NH1-O 2.83Å; R230-L370 PolarHBondContact NH2-O 2.9Å; R230-T373 PolarHBondContact NH2-O 2.79Å; R230-T375 HydrophobicContact CG-CG2 4.07Å
231P92.7Very high91.6Very high19 Ų1927.2 Ų27.212%0.12314%0.139CC..Hα-helixtrans-52.6-45.7171.7-29.436.9000113.2W85 L229 L233 S234 L370W85-P231 VanDerWaalsContact CD1-O 3.28Å; W85-P231 HydrophobicContact CE3-CB 4.47Å; W85-P231 PolarHBondContact NE1-O 3.27Å; L229-P231 VanDerWaalsContact C-CD 3.43Å; P231-L233 PolarHBondContact O-N 2.94Å; P231-L233 VanDerWaalsContact O-N 3.09Å; P231-S234 VanDerWaalsContact O-CB 3.28Å; P231-S234 WeakPolarHBondContact O-CB 3.45Å; P231-S234 PolarHBondContact O-N 2.96Å; P231-S234 PolarHBondContact O-OG 2.87Å; P231-L370 HydrophobicContact CB-CD1 3.97Å; P231-L370 HydrophobicContact CG-CD1 4.22Å
232F96.1Very high91.1Very high18 Ų1830.7 Ų30.78%0.07915%0.15CC..Hα-helixtrans-65.1-14.1178.2-65.6-73.2000114.6L42 S81 W85 I117 L153 L154 Q228 L229 R230L42-F232 HydrophobicContact CD1-CE1 4.27Å; L42-F232 HydrophobicContact CD1-CZ 4.07Å; L42-F232 HydrophobicContact CD2-CE1 4.06Å; L42-F232 HydrophobicContact CD2-CZ 4.1Å; S81-F232 WeakPolarHBondContact OG-CB 3.47Å; S81-F232 PolarHBondContact OG-O 3.06Å; W85-F232 HydrophobicContact CB-CD1 3.63Å; W85-F232 HydrophobicContact CB-CE1 3.9Å; W85-F232 HydrophobicContact CB-CG 4.32Å; I117-F232 VanDerWaalsContact CG2-O 3.27Å; I117-F232 WeakPolarHBondContact CG2-O 3.41Å; L153-F232 HydrophobicContact CB-CD2 4.28Å; L153-F232 HydrophobicContact CB-CE2 4.34Å; L153-F232 HydrophobicContact CD1-CB 3.48Å; L153-F232 VanDerWaalsContact CD1-CB 3.48Å; L153-F232 HydrophobicContact CD1-CD1 3.82Å; L153-F232 HydrophobicContact CD1-CD2 4Å; L153-F232 HydrophobicContact CD1-CG 3.5Å; L154-F232 HydrophobicContact CD2-CE2 4.01Å; Q228-F232 WeakPolarHBondContact O-CD2 3.49Å; Q228-F232 WeakPolarHBondContact O-CE2 3.39Å; L229-F232 WeakPolarHBondContact O-CB 3.29Å; L229-F232 PolarHBondContact O-N 3.36Å; R230-F232 VanDerWaalsContact C-N 3.3Å; R230-F232 PolarHBondContact O-N 3.19Å
233L95.3Very high90.5Very high9 Ų935.5 Ų35.55%0.04716%0.164CC..THydrogen-bonded Turntrans-92-9174.9-57.4-179.4000112.6A118 F151 F162 F163 F225 R230 P231 G264 G265 T375A118-L233 HydrophobicContact CB-CD2 3.72Å; F151-L233 HydrophobicContact CE1-CD2 3.95Å; F151-L233 HydrophobicContact CZ-CD2 4.16Å; F162-L233 HydrophobicContact CE1-CD1 3.71Å; F162-L233 HydrophobicContact CZ-CD1 4.06Å; F163-L233 HydrophobicContact CE1-CD2 4.28Å; F163-L233 HydrophobicContact CZ-CD2 4.03Å; F225-L233 HydrophobicContact CE2-CD1 4.48Å; R230-L233 WeakPolarHBondContact O-CB 3.05Å; R230-L233 PolarHBondContact O-N 2.82Å; P231-L233 PolarHBondContact O-N 2.94Å; P231-L233 VanDerWaalsContact O-N 3.09Å; L233-G264 CarbonylContact O-C 3.46Å; L233-G264 WeakPolarHBondContact O-CA 3.47Å; L233-G265 PolarHBondContact O-N 3.15Å; L233-T375 HydrophobicContact CB-CG2 3.8Å
234S93.1Very high90Very high1 Ų132.3 Ų32.31%0.00715%0.151CC..  trans-83.8141.4-168-62.70000112.7W85 I117 R230 P231W85-S234 PolarHBondContact NE1-O 3.08Å; I117-S234 WeakPolarHBondContact CG2-O 3.44Å; R230-S234 PolarHBondContact O-N 3.06Å; R230-S234 PolarHBondContact O-OG 3.48Å; R230-S234 VanDerWaalsContact O-OG 3.06Å; P231-S234 VanDerWaalsContact O-CB 3.28Å; P231-S234 WeakPolarHBondContact O-CB 3.45Å; P231-S234 PolarHBondContact O-N 2.96Å; P231-S234 PolarHBondContact O-OG 2.87Å
235G92.6Very high89.5Confident0 Ų035 Ų350%018%0.18CC..  trans-73.6170.8177.100000113.7N237 Q238 L262 T375G235-N237 PolarHBondContact O-N 2.88Å; G235-Q238 WeakPolarHBondContact O-CG 3.41Å; G235-L262 CarbonylContact C-O 3.59Å; G235-L262 WeakPolarHBondContact CA-O 3.36Å; G235-T375 PolarHBondContact N-O 2.97Å
236T92.2Very high89.1Confident0 Ų034.9 Ų34.90%018%0.183CC..THydrogen-bonded Turntrans-87.86.1173.366.70000112.8I84 F241 I248 V260 L262I84-T236 HydrophobicContact CD1-CG2 4.33Å; I84-T236 HydrophobicContact CG2-CG2 4.46Å; T236-F241 HydrophobicContact CG2-CD1 4.42Å; T236-F241 HydrophobicContact CG2-CD2 4.47Å; T236-F241 HydrophobicContact CG2-CE1 3.96Å; T236-F241 HydrophobicContact CG2-CE2 4.02Å; T236-F241 HydrophobicContact CG2-CZ 3.76Å; T236-F241 VanDerWaalsContact O-CB 3.23Å; T236-F241 WeakPolarHBondContact O-CB 3.41Å; T236-F241 WeakPolarHBondContact O-CG 3.31Å; T236-I248 HydrophobicContact CG2-CB 4.2Å; T236-I248 HydrophobicContact CG2-CG2 3.89Å; T236-V260 PolarHBondContact OG1-O 3.22Å; T236-V260 VanDerWaalsContact OG1-O 3.06Å; T236-L262 HydrophobicContact CG2-CB 4.19Å; T236-L262 HydrophobicContact CG2-CD1 4.14Å; T236-L262 HydrophobicContact CG2-CG 4.29Å; T236-L262 PolarHBondContact N-O 3.05Å; T236-L262 PolarHBondContact OG1-N 2.85Å
237N82.8Confident89.1Confident50 Ų5034.5 Ų34.527%0.26718%0.182SC..THydrogen-bonded Turntrans-80.60.2169.964.3-31.9000113.5G235 K261G235-N237 PolarHBondContact O-N 2.88Å; N237-K261 HydrophobicContact CB-CB 4.31Å; N237-K261 HydrophobicContact CB-CG 4.42Å
238Q80.5Confident89.3Confident8 Ų832 Ų324%0.03717%0.169CC..SBendtrans-73.7157.4-179.3-62.4-66.3-26.100111.9G235 V240 F241 L370 T373 G374G235-Q238 WeakPolarHBondContact O-CG 3.41Å; Q238-V240 HydrophobicContact CB-CG2 4.16Å; Q238-V240 PolarHBondContact O-N 3.37Å; Q238-V240 VanDerWaalsContact O-N 3.15Å; Q238-F241 PolarHBondContact O-N 3.09Å; Q238-L370 HydrophobicContact CB-CD2 3.94Å; Q238-L370 HydrophobicContact CG-CD2 3.57Å; Q238-T373 PolarHBondContact NE2-OG1 3.36Å; Q238-T373 PolarHBondContact OE1-OG1 3.45Å; Q238-G374 PolarHBondContact NE2-O 2.87Å
239N82.2Confident89.4Confident52 Ų5230.2 Ų30.228%0.27816%0.161SC..G310 helixtrans-58.3-32.1-174.3-76.6-37.2000113.5F241 K242 L369N239-F241 PolarHBondContact O-N 2.6Å; N239-F241 VanDerWaalsContact O-N 3.16Å; N239-K242 VanDerWaalsContact O-CB 3.3Å; N239-K242 WeakPolarHBondContact O-CB 3.28Å; N239-K242 WeakPolarHBondContact O-CG 3.47Å; N239-K242 PolarHBondContact O-N 3.36Å; N239-K242 WeakPolarHBondContact OD1-CE 3.41Å; N239-K242 PolarHBondContact OD1-NZ 2.99Å; N239-L369 HydrophobicContact CB-CB 4.2Å; N239-L369 HydrophobicContact CB-CD1 4.05Å; N239-L369 HydrophobicContact CB-CD2 4.1Å; N239-L369 HydrophobicContact CB-CG 4.36Å
240V84.2Confident89.5Confident13 Ų1330.6 Ų30.68%0.07916%0.163CC..G310 helixtrans-57.1-27.7177.2-64.30000113.2W85 E89 V92 Q238 R243 L369W85-V240 HydrophobicContact CH2-CG2 3.84Å; W85-V240 HydrophobicContact CZ3-CG2 4.22Å; E89-V240 HydrophobicContact CB-CG1 3.93Å; E89-V240 HydrophobicContact CG-CG1 4.05Å; E89-V240 VanDerWaalsContact OE2-CG1 3.29Å; E89-V240 WeakPolarHBondContact OE2-CG1 3.38Å; V92-V240 HydrophobicContact CG1-CB 4.47Å; V92-V240 HydrophobicContact CG1-CG2 4.02Å; V92-V240 HydrophobicContact CG2-CB 4.32Å; V92-V240 HydrophobicContact CG2-CG2 4.37Å; Q238-V240 HydrophobicContact CB-CG2 4.16Å; Q238-V240 PolarHBondContact O-N 3.37Å; Q238-V240 VanDerWaalsContact O-N 3.15Å; V240-R243 WeakPolarHBondContact O-CG 3.39Å; V240-L369 HydrophobicContact CG1-CB 4.07Å; V240-L369 HydrophobicContact CG1-CD1 3.63Å; V240-L369 HydrophobicContact CG1-CG 4.43Å
241F88.8Confident89.6Confident0 Ų035 Ų350%018%0.182CC..G310 helixtrans-85.4-5.9178.3-74-85.1000114I84 W85 V92 T236 Q238 N239 R243 H244 G246 G247I84-F241 HydrophobicContact CG2-CE1 4.48Å; I84-F241 HydrophobicContact CG2-CZ 3.68Å; W85-F241 AromaticContact CH2-CE2 3.71Å; W85-F241 HydrophobicContact CH2-CE2 3.71Å; W85-F241 AromaticContact CZ2-CE2 3.73Å; W85-F241 HydrophobicContact CZ2-CE2 3.73Å; W85-F241 HydrophobicContact CZ2-CZ 4.43Å; V92-F241 HydrophobicContact CB-CE1 3.85Å; V92-F241 HydrophobicContact CB-CE2 4.24Å; V92-F241 HydrophobicContact CB-CZ 3.67Å; V92-F241 HydrophobicContact CG1-CE2 4.08Å; V92-F241 HydrophobicContact CG1-CZ 3.89Å; V92-F241 HydrophobicContact CG2-CD1 4.26Å; V92-F241 HydrophobicContact CG2-CE1 4.07Å; V92-F241 HydrophobicContact CG2-CZ 4.18Å; T236-F241 HydrophobicContact CG2-CD1 4.42Å; T236-F241 HydrophobicContact CG2-CD2 4.47Å; T236-F241 HydrophobicContact CG2-CE1 3.96Å; T236-F241 HydrophobicContact CG2-CE2 4.02Å; T236-F241 HydrophobicContact CG2-CZ 3.76Å; T236-F241 VanDerWaalsContact O-CB 3.23Å; T236-F241 WeakPolarHBondContact O-CB 3.41Å; T236-F241 WeakPolarHBondContact O-CG 3.31Å; Q238-F241 PolarHBondContact O-N 3.09Å; N239-F241 PolarHBondContact O-N 2.6Å; N239-F241 VanDerWaalsContact O-N 3.16Å; F241-R243 PolarHBondContact O-N 3.35Å; F241-H244 CarbonylContact O-C 3.49Å; F241-H244 PolarHBondContact O-N 3.31Å; F241-G246 VanDerWaalsContact O-CA 3.3Å; F241-G246 WeakPolarHBondContact O-CA 3.41Å; F241-G246 PolarHBondContact O-N 2.95Å; F241-G247 WeakPolarHBondContact CD1-O 3.47Å
242K86.5Confident89.8Confident145 Ų14536.1 Ų36.163%0.6320%0.198SC*.G310 helixtrans-58-33175.5-73.3-179.9175.1170.60112N239 H244 G245N239-K242 VanDerWaalsContact O-CB 3.3Å; N239-K242 WeakPolarHBondContact O-CB 3.28Å; N239-K242 WeakPolarHBondContact O-CG 3.47Å; N239-K242 PolarHBondContact O-N 3.36Å; N239-K242 WeakPolarHBondContact OD1-CE 3.41Å; N239-K242 PolarHBondContact OD1-NZ 2.99Å; K242-H244 PolarHBondContact O-N 3.41Å; K242-G245 PolarHBondContact O-N 2.76Å; K242-G245 VanDerWaalsContact O-N 3.16Å
243R83.7Confident89.7Confident136 Ų13637.2 Ų37.251%0.51321%0.205SC..G310 helixtrans-61.5-23.3175.475.7-169.1-174.6178.13.4113.6D90 V92 V240 F241D90-R243 PolarHBondContact O-NH1 2.87Å; D90-R243 VanDerWaalsContact O-NH1 3.15Å; D90-R243 PolarHBondContact O-NH2 3.5Å; V92-R243 PolarHBondContact O-NH2 3.4Å; V240-R243 WeakPolarHBondContact O-CG 3.39Å; F241-R243 PolarHBondContact O-N 3.35Å
244H82.7Confident89.4Confident57 Ų5740.4 Ų40.426%0.26424%0.241SC..G310 helixtrans-105.425.5179.1-60.5-44.4000112.5V92 F241 K242 G246 P259V92-H244 PolarHBondContact O-NE2 3.26Å; F241-H244 CarbonylContact O-C 3.49Å; F241-H244 PolarHBondContact O-N 3.31Å; K242-H244 PolarHBondContact O-N 3.41Å; H244-G246 VanDerWaalsContact C-N 3.33Å; H244-P259 WeakPolarHBondContact O-CG 3.44Å
245G85.2Confident89.1Confident66 Ų6645.3 Ų45.368%0.6827%0.267SS*.THydrogen-bonded Turntrans80.89.8-177.700000114.6K242K242-G245 PolarHBondContact O-N 2.76Å; K242-G245 VanDerWaalsContact O-N 3.16Å
246G87.3Confident88.6Confident14 Ų1450.2 Ų50.214%0.14429%0.29CS..SBendtrans85.237.5174.400000114.5F241 H244 K261F241-G246 VanDerWaalsContact O-CA 3.3Å; F241-G246 WeakPolarHBondContact O-CA 3.41Å; F241-G246 PolarHBondContact O-N 2.95Å; H244-G246 VanDerWaalsContact C-N 3.33Å; G246-K261 WeakPolarHBondContact O-CE 3.3Å; G246-K261 WeakPolarHBondContact O-CG 3.46Å
247G93.3Very high88Confident0 Ų058.9 Ų58.90%033%0.327CS..SBendtrans176.8-159175.800000111.6F241 V260F241-G247 WeakPolarHBondContact CD1-O 3.47Å; G247-V260 WeakPolarHBondContact CA-O 3.3Å
248I94.7Very high88.3Confident0 Ų058.5 Ų58.50%033%0.332CS..BIsolated β-bridgetrans-130.6140.5173.8-164.9172.6000110.8I84 P93 L96 T236 F250 V260 L262I84-I248 HydrophobicContact CD1-CD1 4.04Å; I84-I248 HydrophobicContact CG1-CD1 3.89Å; P93-I248 HydrophobicContact CG-CD1 4.05Å; L96-I248 HydrophobicContact CB-CD1 4.23Å; T236-I248 HydrophobicContact CG2-CB 4.2Å; T236-I248 HydrophobicContact CG2-CG2 3.89Å; I248-F250 HydrophobicContact CG2-CD2 4.04Å; I248-F250 HydrophobicContact CG2-CE2 3.67Å; I248-V260 PolarHBondContact N-O 3Å; I248-V260 PolarHBondContact O-N 2.9Å; I248-L262 HydrophobicContact CG2-CD1 4.18Å; I248-L262 HydrophobicContact CG2-CG 4.4Å
249I95.8Very high88.8Confident42 Ų4260.4 Ų60.422%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-79.2129.8177.1-64.3169.7000109.7S94 S95 L96 E256 P259S94-I249 PolarHBondContact O-N 3.36Å; S95-I249 CarbonylContact C-O 3.55Å; S95-I249 WeakPolarHBondContact CA-O 3.22Å; L96-I249 PolarHBondContact N-O 3.28Å; I249-E256 HydrophobicContact CG2-CB 4.44Å; I249-E256 WeakPolarHBondContact CG2-O 3.28Å; I249-P259 HydrophobicContact CG1-CG 4.19Å
250F96.6Very high89.3Confident9 Ų961.1 Ų61.14%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-94105172.4-86.3-127.3000109.6L96 A101 V115 I248 G252 V253 L262L96-F250 HydrophobicContact CD2-CD1 4.35Å; L96-F250 HydrophobicContact CD2-CE1 3.9Å; L96-F250 HydrophobicContact CD2-CE2 4.31Å; L96-F250 HydrophobicContact CD2-CZ 3.87Å; A101-F250 HydrophobicContact CB-CB 4.02Å; A101-F250 HydrophobicContact CB-CD1 3.66Å; A101-F250 HydrophobicContact CB-CE1 4.36Å; A101-F250 HydrophobicContact CB-CG 4.05Å; V115-F250 HydrophobicContact CG1-CE1 3.72Å; V115-F250 HydrophobicContact CG1-CZ 3.69Å; I248-F250 HydrophobicContact CG2-CD2 4.04Å; I248-F250 HydrophobicContact CG2-CE2 3.67Å; F250-G252 PolarHBondContact O-N 3.31Å; F250-V253 HydrophobicContact CB-CB 3.91Å; F250-V253 HydrophobicContact CB-CG2 4.4Å; F250-V253 PolarHBondContact O-N 3.49Å; F250-L262 HydrophobicContact CE2-CD1 3.82Å; F250-L262 HydrophobicContact CE2-CD2 3.89Å; F250-L262 HydrophobicContact CE2-CG 4.11Å; F250-L262 HydrophobicContact CZ-CD1 3.8Å; F250-L262 HydrophobicContact CZ-CD2 3.8Å; F250-L262 HydrophobicContact CZ-CG 4.29Å
251K96.5Very high89.7Confident95 Ų9567 Ų6741%0.41338%0.375SS..THydrogen-bonded Turntrans-67.3132.2178.3-67.1179.1173.6168.60110.3S95 L96 C98 A101S95-K251 WeakPolarHBondContact OG-CE 3.47Å; S95-K251 PolarHBondContact OG-NZ 3.13Å; L96-K251 WeakPolarHBondContact O-CB 3.2Å; L96-K251 PolarHBondContact O-N 2.9Å; L96-K251 VanDerWaalsContact O-N 3.13Å; C98-K251 VanDerWaalsContact CA-O 3.29Å; C98-K251 WeakPolarHBondContact CA-O 3.41Å; C98-K251 HydrophobicContact CB-CB 4.36Å; A101-K251 WeakPolarHBondContact CB-O 3.18Å
252G96Very high89.9Confident44 Ų4467 Ų6745%0.45438%0.375SS..THydrogen-bonded Turntrans81.15.3-176.600000115.1F250 E256F250-G252 PolarHBondContact O-N 3.31Å; G252-E256 WeakPolarHBondContact CA-OE1 3.27Å; G252-E256 PolarHBondContact N-OE1 3.16Å
253V93.9Very high90.3Very high40 Ų4061.5 Ų61.524%0.24235%0.352CS..SBendtrans-133.3119.6-176-177.20000111A101 V102 T105 F250A101-V253 HydrophobicContact CB-CG2 4.36Å; V102-V253 HydrophobicContact CB-CG2 4.36Å; V102-V253 HydrophobicContact CG2-CG2 3.86Å; T105-V253 HydrophobicContact CG2-CG1 3.81Å; F250-V253 HydrophobicContact CB-CB 3.91Å; F250-V253 HydrophobicContact CB-CG2 4.4Å; F250-V253 PolarHBondContact O-N 3.49Å
254G89.2Confident90.7Very high77 Ų7755 Ų5579%0.79433%0.328SS*.SBendtrans64.3-143.2174.600000112.9E256G254-E256 PolarHBondContact O-N 3.29Å
255D86Confident91.1Very high104 Ų10452.7 Ų52.756%0.55632%0.319SS*.  trans-81.8103.5174.8-177.96.7000110.4K257 A258D255-K257 PolarHBondContact O-N 3.43Å; D255-K257 WeakPolarHBondContact OD1-CB 3.49Å; D255-K257 PolarHBondContact OD1-N 2.81Å; D255-A258 HydrophobicContact CB-CB 4.07Å; D255-A258 PolarHBondContact O-N 3.22Å
256E82.3Confident91.3Very high102 Ų10251 Ų5148%0.47730%0.297SS..THydrogen-bonded Turntrans-65.30.7177.1-63.7-168.7-167.500114.2I249 G252 G254I249-E256 HydrophobicContact CG2-CB 4.44Å; I249-E256 WeakPolarHBondContact CG2-O 3.28Å; G252-E256 WeakPolarHBondContact CA-OE1 3.27Å; G252-E256 PolarHBondContact N-OE1 3.16Å; G254-E256 PolarHBondContact O-N 3.29Å
257K80.1Confident91.5Very high182 Ų18253.1 Ų53.179%0.79131%0.313SS*.THydrogen-bonded Turntrans-101.4-8.2171.9-58.8179.6-178.8176.70113.2D255 P259D255-K257 PolarHBondContact O-N 3.43Å; D255-K257 WeakPolarHBondContact OD1-CB 3.49Å; D255-K257 PolarHBondContact OD1-N 2.81Å; K257-P259 WeakPolarHBondContact O-CD 3.45Å
258A88.5Confident91.5Very high43 Ų4354 Ų5436%0.35532%0.32SS..SBendtrans-108.3110.2-176.600000111.4D255 V260D255-A258 HydrophobicContact CB-CB 4.07Å; D255-A258 PolarHBondContact O-N 3.22Å; A258-V260 PolarHBondContact O-N 2.95Å
259P91.6Very high91.6Very high47 Ų4754.2 Ų54.231%0.30532%0.321SS..  trans-62.1132.9174.3-21.832.6000112.2H244 I249 K257H244-P259 WeakPolarHBondContact O-CG 3.44Å; I249-P259 HydrophobicContact CG1-CG 4.19Å; K257-P259 WeakPolarHBondContact O-CD 3.45Å
260V92.3Very high91.7Very high68 Ų6852.7 Ų52.741%0.41231%0.314SS..BIsolated β-bridgetrans-96136177.4-178.60000110.4T236 G247 I248 A258 L262T236-V260 PolarHBondContact OG1-O 3.22Å; T236-V260 VanDerWaalsContact OG1-O 3.06Å; G247-V260 WeakPolarHBondContact CA-O 3.3Å; I248-V260 PolarHBondContact N-O 3Å; I248-V260 PolarHBondContact O-N 2.9Å; A258-V260 PolarHBondContact O-N 2.95Å; V260-L262 HydrophobicContact CG1-CD2 4.13Å; V260-L262 PolarHBondContact O-N 3.16Å
261K92.6Very high91.7Very high136 Ų13652.3 Ų52.359%0.59131%0.313SS*.  trans-88.3101.2172.8-71.7176.5-173.8175.30110.3N237 G246N237-K261 HydrophobicContact CB-CB 4.31Å; N237-K261 HydrophobicContact CB-CG 4.42Å; G246-K261 WeakPolarHBondContact O-CE 3.3Å; G246-K261 WeakPolarHBondContact O-CG 3.46Å
262L94.2Very high91.8Very high1 Ų148 Ų481%0.00530%0.295CS..PPolyproline II helixtrans-78.5137.1170.1-55.3-178.1000109.2I84 V115 I117 G235 T236 I248 F250 V260I84-L262 HydrophobicContact CD1-CD1 4.32Å; V115-L262 HydrophobicContact CB-CD2 4.21Å; V115-L262 HydrophobicContact CG1-CD2 3.8Å; I117-L262 HydrophobicContact CD1-CB 4.43Å; I117-L262 HydrophobicContact CD1-CD1 3.56Å; I117-L262 HydrophobicContact CG1-CB 4Å; I117-L262 HydrophobicContact CG1-CD1 4.06Å; G235-L262 CarbonylContact C-O 3.59Å; G235-L262 WeakPolarHBondContact CA-O 3.36Å; T236-L262 HydrophobicContact CG2-CB 4.19Å; T236-L262 HydrophobicContact CG2-CD1 4.14Å; T236-L262 HydrophobicContact CG2-CG 4.29Å; T236-L262 PolarHBondContact N-O 3.05Å; T236-L262 PolarHBondContact OG1-N 2.85Å; I248-L262 HydrophobicContact CG2-CD1 4.18Å; I248-L262 HydrophobicContact CG2-CG 4.4Å; F250-L262 HydrophobicContact CE2-CD1 3.82Å; F250-L262 HydrophobicContact CE2-CD2 3.89Å; F250-L262 HydrophobicContact CE2-CG 4.11Å; F250-L262 HydrophobicContact CZ-CD1 3.8Å; F250-L262 HydrophobicContact CZ-CD2 3.8Å; F250-L262 HydrophobicContact CZ-CG 4.29Å; V260-L262 HydrophobicContact CG1-CD2 4.13Å; V260-L262 PolarHBondContact O-N 3.16Å
263I93.1Very high91.9Very high28 Ų2848.3 Ų48.314%0.14429%0.286CS..PPolyproline II helixtrans-89.6139.8172.5-56-54.4000109.1I117 F298I117-I263 PolarHBondContact N-O 3.22Å; I263-F298 HydrophobicContact CB-CE2 3.83Å; I263-F298 HydrophobicContact CB-CZ 3.59Å; I263-F298 HydrophobicContact CG1-CE2 4.06Å; I263-F298 HydrophobicContact CG1-CZ 3.8Å; I263-F298 HydrophobicContact CG2-CE2 4.09Å; I263-F298 HydrophobicContact CG2-CZ 4.34Å
264G93.3Very high92.1Very high0 Ų046.8 Ų46.80%028%0.276CS..PPolyproline II helixtrans-72.2162176.600000114.2I117 L233 Q269 T375I117-G264 CarbonylContact O-C 3.3Å; L233-G264 CarbonylContact O-C 3.46Å; L233-G264 WeakPolarHBondContact O-CA 3.47Å; G264-Q269 PolarHBondContact O-NE2 3.36Å; G264-Q269 VanDerWaalsContact O-NE2 3.08Å; G264-T375 VanDerWaalsContact CA-O 3.32Å; G264-T375 WeakPolarHBondContact CA-O 3.39Å; G264-T375 PolarHBondContact N-O 2.71Å
265G90.9Very high92.5Very high8 Ų843.1 Ų43.18%0.08224%0.238CC..PPolyproline II helixtrans-64.5132.6177.200000110.2I117 A118 L233 T375I117-G265 WeakPolarHBondContact O-CA 3.39Å; I117-G265 PolarHBondContact O-N 2.91Å; A118-G265 VanDerWaalsContact O-CA 3.24Å; A118-G265 WeakPolarHBondContact O-CA 3.49Å; L233-G265 PolarHBondContact O-N 3.15Å; G265-T375 WeakPolarHBondContact O-CB 3.49Å; G265-T375 PolarHBondContact O-OG1 3.06Å
266S90.2Very high93.1Very high31 Ų3138.1 Ų38.122%0.21721%0.211CC..  trans-149.6139.9-178.2179.10000110.8A268 Q269S266-A268 PolarHBondContact O-N 3.18Å; S266-A268 VanDerWaalsContact O-N 3.08Å; S266-A268 PolarHBondContact OG-N 3.4Å; S266-Q269 VanDerWaalsContact O-CB 3.23Å; S266-Q269 WeakPolarHBondContact O-CB 3.39Å; S266-Q269 WeakPolarHBondContact O-CG 3.29Å; S266-Q269 PolarHBondContact O-N 3.49Å
267A91.4Very high93.9Very high58 Ų5833.9 Ų33.948%0.47919%0.192SC..G310 helixtrans-58.3-19.7171.300000112.8Q269 S270A267-Q269 PolarHBondContact O-N 3.33Å; A267-S270 WeakPolarHBondContact O-CB 3.16Å; A267-S270 PolarHBondContact O-N 2.81Å
268A92.2Very high94.7Very high18 Ų1825.8 Ų25.815%0.14916%0.159CC..G310 helixtrans-66.1-15.7171.900000113.7S266 S270 Q274 F291 L292 T295S266-A268 PolarHBondContact O-N 3.18Å; S266-A268 VanDerWaalsContact O-N 3.08Å; S266-A268 PolarHBondContact OG-N 3.4Å; A268-S270 VanDerWaalsContact C-N 3.25Å; A268-Q274 PolarHBondContact O-NE2 3.44Å; A268-Q274 VanDerWaalsContact O-NE2 3.16Å; A268-F291 HydrophobicContact CB-CE1 3.78Å; A268-L292 HydrophobicContact CB-CD2 4.24Å; A268-T295 HydrophobicContact CB-CG2 3.96Å; A268-T295 WeakPolarHBondContact O-CB 3.44Å; A268-T295 PolarHBondContact O-OG1 3.18Å
269Q96.4Very high95.1Very high5 Ų524.1 Ų24.12%0.02314%0.144CC..G310 helixtrans-79.8-7.4169.6-58.2170.3-7.400112.1H120 G264 S266 A267 F298 M299H120-Q269 HydrophobicContact CB-CB 3.74Å; G264-Q269 PolarHBondContact O-NE2 3.36Å; G264-Q269 VanDerWaalsContact O-NE2 3.08Å; S266-Q269 VanDerWaalsContact O-CB 3.23Å; S266-Q269 WeakPolarHBondContact O-CB 3.39Å; S266-Q269 WeakPolarHBondContact O-CG 3.29Å; S266-Q269 PolarHBondContact O-N 3.49Å; A267-Q269 PolarHBondContact O-N 3.33Å; Q269-F298 HydrophobicContact CB-CB 4.33Å; Q269-F298 HydrophobicContact CG-CB 3.98Å; Q269-F298 HydrophobicContact CG-CD2 4.11Å; Q269-F298 HydrophobicContact CG-CG 4.35Å; Q269-M299 WeakPolarHBondContact O-CE 3.29Å; Q269-M299 VanDerWaalsContact O-CG 3.26Å; Q269-M299 WeakPolarHBondContact O-CG 3.49Å
270S97.5Very high95.4Very high10 Ų1022 Ų227%0.0713%0.13CC..  trans-67.9142.5170.4-179.40000111.3E170 A267 A268 T272 M299E170-S270 WeakPolarHBondContact OE1-CB 3.09Å; E170-S270 PolarHBondContact OE1-OG 3.45Å; E170-S270 PolarHBondContact OE2-OG 3.14Å; E170-S270 VanDerWaalsContact OE2-OG 3.06Å; A267-S270 WeakPolarHBondContact O-CB 3.16Å; A267-S270 PolarHBondContact O-N 2.81Å; A268-S270 VanDerWaalsContact C-N 3.25Å; S270-T272 VanDerWaalsContact C-N 3.31Å; S270-T272 WeakPolarHBondContact OG-CB 3.27Å; S270-T272 PolarHBondContact OG-N 3.13Å; S270-T272 PolarHBondContact OG-OG1 3.27Å; S270-M299 VanDerWaalsContact O-CE 3.24Å; S270-M299 WeakPolarHBondContact O-CE 3.35Å
271C98.1Very high95.6Very high2 Ų220 Ų201%0.01412%0.121CC..SBendtrans-80.6-17.4176.1-59.70000112.4F15 Q274 S275 M299 H303 I307F15-C271 HydrophobicContact CD1-CB 4.05Å; F15-C271 HydrophobicContact CD2-CB 3.75Å; F15-C271 HydrophobicContact CE1-CB 3.77Å; F15-C271 HydrophobicContact CE2-CB 3.44Å; F15-C271 VanDerWaalsContact CE2-CB 3.44Å; F15-C271 HydrophobicContact CG-CB 4.03Å; F15-C271 HydrophobicContact CZ-CB 3.46Å; F15-C271 VanDerWaalsContact CZ-CB 3.46Å; C271-Q274 PolarHBondContact O-N 3.45Å; C271-S275 VanDerWaalsContact O-CB 3.31Å; C271-S275 WeakPolarHBondContact O-CB 3.49Å; C271-S275 PolarHBondContact O-N 3.27Å; C271-S275 PolarHBondContact O-OG 2.88Å; C271-M299 VanDerWaalsContact SG-CG 3.58Å; C271-M299 PolarHBondContact SG-SD 2.95Å; C271-H303 WeakPolarHBondContact SG-CB 3.11Å; C271-I307 HydrophobicContact CB-CD1 4.06Å
272T98.2Very high95.8Very high4 Ų414.1 Ų14.13%0.02510%0.096CC..Hα-helixtrans-59.2-65.6-169.1-74.70000112.7E170 F173 M209 S270 Q274 S275 L276E170-T272 PolarHBondContact OE2-OG1 3.29Å; F173-T272 HydrophobicContact CB-CG2 3.89Å; F173-T272 HydrophobicContact CD2-CG2 3.52Å; F173-T272 HydrophobicContact CE2-CG2 4.25Å; F173-T272 HydrophobicContact CG-CG2 3.81Å; M209-T272 HydrophobicContact CE-CG2 3.16Å; M209-T272 HydrophobicContact SD-CG2 4.48Å; S270-T272 VanDerWaalsContact C-N 3.31Å; S270-T272 WeakPolarHBondContact OG-CB 3.27Å; S270-T272 PolarHBondContact OG-N 3.13Å; S270-T272 PolarHBondContact OG-OG1 3.27Å; T272-Q274 VanDerWaalsContact C-N 3.32Å; T272-Q274 PolarHBondContact O-N 2.83Å; T272-S275 WeakPolarHBondContact O-CB 3.33Å; T272-S275 PolarHBondContact O-N 3.28Å; T272-L276 PolarHBondContact O-N 2.91Å
273L97.9Very high95.9Very high51 Ų5121.7 Ų21.727%0.26713%0.131SC..Hα-helixtrans-65.9-34.3179.7-66.2-175.5000112.8S275 L276 D277 M340 F343L273-S275 VanDerWaalsContact C-N 3.25Å; L273-S275 PolarHBondContact O-N 2.68Å; L273-L276 HydrophobicContact CD2-CD1 4.19Å; L273-L276 PolarHBondContact O-N 3.34Å; L273-D277 WeakPolarHBondContact O-CB 3.1Å; L273-D277 VanDerWaalsContact O-CG 3.24Å; L273-D277 PolarHBondContact O-N 3Å; L273-M340 HydrophobicContact CD2-CE 3.99Å; L273-M340 HydrophobicContact CD2-SD 4.48Å; L273-F343 HydrophobicContact CD1-CD1 4.1Å; L273-F343 HydrophobicContact CD1-CE1 3.77Å; L273-F343 HydrophobicContact CD2-CD1 3.87Å; L273-F343 HydrophobicContact CD2-CE1 3.82Å; L273-F343 HydrophobicContact CD2-CG 4.41Å; L273-F343 HydrophobicContact CD2-CZ 4.25Å; L273-F343 HydrophobicContact CG-CE1 4.19Å
274Q98.2Very high96.1Very high7 Ų721.9 Ų21.93%0.03313%0.131CC..Hα-helixtrans-66.7-28.4177.6-64.8-158.544.100112.6A268 C271 T272 A278 L292 T295 M299 I307A268-Q274 PolarHBondContact O-NE2 3.44Å; A268-Q274 VanDerWaalsContact O-NE2 3.16Å; C271-Q274 PolarHBondContact O-N 3.45Å; T272-Q274 VanDerWaalsContact C-N 3.32Å; T272-Q274 PolarHBondContact O-N 2.83Å; Q274-A278 WeakPolarHBondContact O-CB 3.45Å; Q274-A278 PolarHBondContact O-N 2.79Å; Q274-L292 PolarHBondContact NE2-O 3.4Å; Q274-L292 VanDerWaalsContact NE2-O 3.12Å; Q274-L292 PolarHBondContact OE1-O 2.83Å; Q274-T295 PolarHBondContact NE2-OG1 2.98Å; Q274-T295 VanDerWaalsContact NE2-OG1 3.13Å; Q274-M299 HydrophobicContact CG-CE 4.49Å; Q274-I307 HydrophobicContact CB-CD1 3.89Å; Q274-I307 HydrophobicContact CB-CG1 4.48Å
275S98.4Very high96.2Very high0 Ų023.6 Ų23.60%015%0.145CC..Hα-helixtrans-71.3-42.6173.5-60.60000111.1C271 T272 L273 A278 I279C271-S275 VanDerWaalsContact O-CB 3.31Å; C271-S275 WeakPolarHBondContact O-CB 3.49Å; C271-S275 PolarHBondContact O-N 3.27Å; C271-S275 PolarHBondContact O-OG 2.88Å; T272-S275 WeakPolarHBondContact O-CB 3.33Å; T272-S275 PolarHBondContact O-N 3.28Å; L273-S275 VanDerWaalsContact C-N 3.25Å; L273-S275 PolarHBondContact O-N 2.68Å; S275-A278 WeakPolarHBondContact O-CB 3.43Å; S275-A278 PolarHBondContact O-N 3.49Å; S275-I279 PolarHBondContact O-N 3.46Å
276L98.5Very high96.5Very high0 Ų028.2 Ų28.20%017%0.172CC..Hα-helixtrans-63.8-42.2174.9-62.5174.5000111.7F173 T176 L180 L202 I206 M209 T272 L273 A278 I279 L280 M340F173-L276 HydrophobicContact CE2-CD1 4.39Å; F173-L276 HydrophobicContact CE2-CD2 3.94Å; F173-L276 HydrophobicContact CE2-CG 3.9Å; T176-L276 HydrophobicContact CG2-CD2 4.31Å; L180-L276 HydrophobicContact CD2-CD2 4.49Å; L202-L276 HydrophobicContact CD1-CD2 3.89Å; I206-L276 HydrophobicContact CD1-CD1 4.39Å; I206-L276 HydrophobicContact CD1-CD2 4.27Å; I206-L276 HydrophobicContact CG1-CD1 3.99Å; I206-L276 HydrophobicContact CG1-CD2 4.22Å; M209-L276 HydrophobicContact CE-CD1 4.2Å; M209-L276 HydrophobicContact SD-CD1 4.34Å; T272-L276 PolarHBondContact O-N 2.91Å; L273-L276 HydrophobicContact CD2-CD1 4.19Å; L273-L276 PolarHBondContact O-N 3.34Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 3.45Å; L276-I279 VanDerWaalsContact O-CG2 3.31Å; L276-I279 WeakPolarHBondContact O-CG2 3.05Å; L276-I279 PolarHBondContact O-N 3.39Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 WeakPolarHBondContact O-CG 3.47Å; L276-L280 PolarHBondContact O-N 3.38Å; L276-M340 HydrophobicContact CB-CE 3.63Å; L276-M340 HydrophobicContact CB-SD 3.88Å; L276-M340 HydrophobicContact CD1-CE 4.08Å; L276-M340 HydrophobicContact CD1-SD 3.56Å; L276-M340 VanDerWaalsContact CD1-SD 3.56Å; L276-M340 HydrophobicContact CG-SD 4.31Å
277D98Very high96.7Very high12 Ų1230.2 Ų30.26%0.06418%0.18CC..Hα-helixtrans-61.5-39.2174.3-70.9-15.1000111.9L273 A281 I282 H284 R344L273-D277 WeakPolarHBondContact O-CB 3.1Å; L273-D277 VanDerWaalsContact O-CG 3.24Å; L273-D277 PolarHBondContact O-N 3Å; D277-A281 WeakPolarHBondContact O-CA 3.32Å; D277-A281 PolarHBondContact O-N 3.01Å; D277-I282 HydrophobicContact CB-CB 4.26Å; D277-I282 PolarHBondContact O-N 3.38Å; D277-I282 VanDerWaalsContact OD1-CD1 3.25Å; D277-I282 WeakPolarHBondContact OD1-CD1 3.46Å; D277-H284 IonicContact OD2-CD2 3.09Å; D277-H284 IonicContact OD2-CE1 3.87Å; D277-H284 IonicContact OD2-NE2 3.33Å; D277-H284 PolarHBondContact OD2-NE2 3.46Å; D277-R344 IonicContact OD1-CZ 3.7Å; D277-R344 IonicContact OD1-NH2 2.91Å; D277-R344 PolarHBondContact OD1-NH2 3.16Å; D277-R344 IonicContact OD2-NH2 2.62Å; D277-R344 PolarHBondContact OD2-NH2 2.61Å; D277-R344 VanDerWaalsContact OD2-NH2 3.1Å
278A97Very high96.8Very high12 Ų1227.4 Ų27.410%0.09916%0.157CC..Hα-helixtrans-65.4-46.9178.300000112.3Q274 S275 L276 A281 I307 L310 R311Q274-A278 WeakPolarHBondContact O-CB 3.45Å; Q274-A278 PolarHBondContact O-N 2.79Å; S275-A278 WeakPolarHBondContact O-CB 3.43Å; S275-A278 PolarHBondContact O-N 3.49Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-A278 PolarHBondContact O-N 3.45Å; A278-A281 PolarHBondContact O-N 3.17Å; A278-I307 HydrophobicContact CB-CG2 4.31Å; A278-L310 HydrophobicContact CB-CB 3.78Å; A278-R311 HydrophobicContact CB-CB 4.3Å
279I97.3Very high97Very high9 Ų928.6 Ų28.65%0.04617%0.167CC..Hα-helixtrans-72.7-34.5-178.2-170.459.4000112.8L180 L183 V184 L202 S275 L276 A281 L310 V317L180-I279 HydrophobicContact CD2-CB 3.67Å; L180-I279 HydrophobicContact CD2-CG1 3.83Å; L180-I279 HydrophobicContact CD2-CG2 3.15Å; L183-I279 HydrophobicContact CB-CD1 4.27Å; L183-I279 HydrophobicContact CB-CG1 4.42Å; L183-I279 HydrophobicContact CD1-CG1 4.31Å; V184-I279 HydrophobicContact CG2-CD1 3.77Å; L202-I279 HydrophobicContact CD2-CG2 4.39Å; S275-I279 PolarHBondContact O-N 3.46Å; L276-I279 VanDerWaalsContact O-CG2 3.31Å; L276-I279 WeakPolarHBondContact O-CG2 3.05Å; L276-I279 PolarHBondContact O-N 3.39Å; I279-A281 VanDerWaalsContact C-N 3.27Å; I279-L310 HydrophobicContact CB-CD2 4.43Å; I279-L310 HydrophobicContact CD1-CD2 4.33Å; I279-V317 HydrophobicContact CD1-CG2 4.46Å
280L97.2Very high97Very high1 Ų134.5 Ų34.51%0.00520%0.195CC..Hα-helixtrans-84.2-6.7178.8-65.1171.8000111.8L199 L202 L276 I282 Y333 C336 I337 M340L199-L280 HydrophobicContact CD2-CD2 4.11Å; L202-L280 HydrophobicContact CD2-CD2 4.3Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 WeakPolarHBondContact O-CG 3.47Å; L276-L280 PolarHBondContact O-N 3.38Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 HydrophobicContact CB-CD1 4.14Å; L280-I282 HydrophobicContact CB-CG1 4.1Å; L280-I282 HydrophobicContact CD1-CD1 4.24Å; L280-I282 PolarHBondContact O-N 2.92Å; L280-Y333 HydrophobicContact CB-CE2 4.3Å; L280-Y333 HydrophobicContact CD2-CD2 4.09Å; L280-Y333 HydrophobicContact CD2-CE2 3.87Å; L280-Y333 PolarHBondContact O-OH 3.48Å; L280-C336 HydrophobicContact CD1-CB 4.01Å; L280-C336 HydrophobicContact CD2-CB 3.77Å; L280-I337 HydrophobicContact CB-CD1 4.22Å; L280-I337 HydrophobicContact CD1-CD1 4.2Å; L280-M340 HydrophobicContact CD1-CG 3.85Å
281A96.4Very high96.7Very high27 Ų2735.8 Ų35.822%0.22320%0.199CC..THydrogen-bonded Turntrans51.950.1-175.400000112.4D277 A278 I279 R318D277-A281 WeakPolarHBondContact O-CA 3.32Å; D277-A281 PolarHBondContact O-N 3.01Å; A278-A281 PolarHBondContact O-N 3.17Å; I279-A281 VanDerWaalsContact C-N 3.27Å; A281-R318 HydrophobicContact CB-CB 3.85Å; A281-R318 HydrophobicContact CB-CG 4.33Å; A281-R318 WeakPolarHBondContact O-CD 3.48Å
282I97.2Very high96.5Very high12 Ų1236.6 Ų36.66%0.06220%0.203CC..  trans-77.8119.1172.4-65.9164.2000108.3D277 L280 I337 M340 T391D277-I282 HydrophobicContact CB-CB 4.26Å; D277-I282 PolarHBondContact O-N 3.38Å; D277-I282 VanDerWaalsContact OD1-CD1 3.25Å; D277-I282 WeakPolarHBondContact OD1-CD1 3.46Å; L280-I282 VanDerWaalsContact C-N 3.34Å; L280-I282 HydrophobicContact CB-CD1 4.14Å; L280-I282 HydrophobicContact CB-CG1 4.1Å; L280-I282 HydrophobicContact CD1-CD1 4.24Å; L280-I282 PolarHBondContact O-N 2.92Å; I282-I337 HydrophobicContact CD1-CD1 4.01Å; I282-I337 HydrophobicContact CG1-CD1 3.99Å; I282-M340 HydrophobicContact CD1-CE 4.43Å; I282-T391 HydrophobicContact CD1-CG2 4.02Å
283E96.2Very high96.4Very high161 Ų16139.3 Ų39.375%0.75222%0.222SC*.  trans-97.7115.4178.5-67.7179.8-177.300110.2S390E283-S390 WeakPolarHBondContact O-CB 3.3Å
284H97.1Very high96.3Very high31 Ų3139.4 Ų39.414%0.14423%0.227CC..  trans-86.7157.2178.7-65.9-68.6000112.1D277 V288 A289D277-H284 IonicContact OD2-CD2 3.09Å; D277-H284 IonicContact OD2-CE1 3.87Å; D277-H284 IonicContact OD2-NE2 3.33Å; D277-H284 PolarHBondContact OD2-NE2 3.46Å; H284-V288 HydrophobicContact CB-CB 4.01Å; H284-V288 HydrophobicContact CB-CG1 3.67Å; H284-A289 HydrophobicContact CB-CB 4.38Å
285A96.5Very high96.2Very high36 Ų3639.4 Ų39.430%0.29823%0.228SC..  trans-52.2146.9166.900000111.3D287 V288 A289 K386 S390A285-D287 VanDerWaalsContact C-N 3.33Å; A285-D287 PolarHBondContact O-N 3.41Å; A285-V288 HydrophobicContact CB-CG2 4.45Å; A285-V288 WeakPolarHBondContact O-CA 3.45Å; A285-V288 WeakPolarHBondContact O-CB 3.47Å; A285-V288 PolarHBondContact O-N 3.13Å; A285-A289 PolarHBondContact O-N 3.06Å; A285-K386 HydrophobicContact CB-CD 4.45Å; A285-S390 PolarHBondContact N-OG 3.13Å
286T96.4Very high96.1Very high105 Ų10541.6 Ų41.664%0.64424%0.236SC*.Hα-helixtrans-50.8-48.2-171-51.40000113.3V288 A289 E290T286-V288 VanDerWaalsContact C-N 3.33Å; T286-V288 PolarHBondContact O-N 2.72Å; T286-A289 PolarHBondContact O-N 3.06Å; T286-E290 WeakPolarHBondContact O-CB 3.43Å; T286-E290 WeakPolarHBondContact O-CG 3.25Å; T286-E290 PolarHBondContact O-N 3.46Å
287D94Very high96Very high73 Ų7345.7 Ų45.739%0.3925%0.251SS..Hα-helixtrans-65.6-35.4-179.564.5-54.6000113A285 F291 K386A285-D287 VanDerWaalsContact C-N 3.33Å; A285-D287 PolarHBondContact O-N 3.41Å; D287-F291 WeakPolarHBondContact O-CB 3.35Å; D287-F291 PolarHBondContact O-N 2.64Å; D287-K386 IonicContact OD1-NZ 3.97Å; D287-K386 PolarHBondContact OD1-NZ 3.39Å; D287-K386 IonicContact OD2-NZ 2.83Å; D287-K386 PolarHBondContact OD2-NZ 2.86Å
288V94.8Very high96Very high0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-68.5-44.6173.91730000110.5H284 A285 T286 F291 L292 F383 K386 T387H284-V288 HydrophobicContact CB-CB 4.01Å; H284-V288 HydrophobicContact CB-CG1 3.67Å; A285-V288 HydrophobicContact CB-CG2 4.45Å; A285-V288 WeakPolarHBondContact O-CA 3.45Å; A285-V288 WeakPolarHBondContact O-CB 3.47Å; A285-V288 PolarHBondContact O-N 3.13Å; T286-V288 VanDerWaalsContact C-N 3.33Å; T286-V288 PolarHBondContact O-N 2.72Å; V288-F291 PolarHBondContact O-N 2.77Å; V288-L292 HydrophobicContact CG1-CD1 3.92Å; V288-L292 HydrophobicContact CG1-CG 4.34Å; V288-L292 WeakPolarHBondContact O-CB 3.16Å; V288-L292 VanDerWaalsContact O-CG 3.32Å; V288-L292 WeakPolarHBondContact O-CG 3.48Å; V288-L292 PolarHBondContact O-N 3.09Å; V288-F383 HydrophobicContact CB-CD2 4.47Å; V288-F383 HydrophobicContact CB-CE2 4.1Å; V288-F383 HydrophobicContact CG1-CD2 4.39Å; V288-F383 HydrophobicContact CG1-CE2 3.7Å; V288-F383 HydrophobicContact CG1-CZ 4.03Å; V288-F383 HydrophobicContact CG2-CD2 3.94Å; V288-F383 HydrophobicContact CG2-CE2 4.06Å; V288-K386 HydrophobicContact CG2-CB 3.67Å; V288-K386 HydrophobicContact CG2-CD 3.94Å; V288-K386 HydrophobicContact CG2-CG 4.49Å; V288-T387 HydrophobicContact CG1-CG2 3.56Å
289A95.8Very high96.1Very high42 Ų4244.8 Ų44.835%0.34725%0.245SC..Hα-helixtrans-63-43.317900000111.7H284 A285 T286 S293H284-A289 HydrophobicContact CB-CB 4.38Å; A285-A289 PolarHBondContact O-N 3.06Å; T286-A289 PolarHBondContact O-N 3.06Å; A289-S293 VanDerWaalsContact O-CB 3.26Å; A289-S293 WeakPolarHBondContact O-CB 3.35Å; A289-S293 PolarHBondContact O-N 3.37Å
290E95.4Very high96.2Very high129 Ų12944.5 Ų44.560%0.60324%0.243SC*.Hα-helixtrans-61.5-46.9174.6-75.5175.4-179.100111.6T286 S293 S294T286-E290 WeakPolarHBondContact O-CB 3.43Å; T286-E290 WeakPolarHBondContact O-CG 3.25Å; T286-E290 PolarHBondContact O-N 3.46Å; E290-S293 PolarHBondContact O-N 3.2Å; E290-S294 WeakPolarHBondContact O-CB 3.12Å; E290-S294 PolarHBondContact O-N 3.31Å
291F92.4Very high96.2Very high38 Ų3846.8 Ų46.817%0.16726%0.258CS..Hα-helixtrans-59.7-52.2176.5177-94.8000111.5A268 D287 V288 S293 S294 T295 F383A268-F291 HydrophobicContact CB-CE1 3.78Å; D287-F291 WeakPolarHBondContact O-CB 3.35Å; D287-F291 PolarHBondContact O-N 2.64Å; V288-F291 PolarHBondContact O-N 2.77Å; F291-S293 VanDerWaalsContact C-N 3.29Å; F291-S293 PolarHBondContact O-N 3.26Å; F291-S294 WeakPolarHBondContact O-CA 3.46Å; F291-S294 WeakPolarHBondContact O-CB 3.35Å; F291-S294 PolarHBondContact O-N 3.02Å; F291-S294 PolarHBondContact O-OG 3.31Å; F291-T295 HydrophobicContact CD1-CG2 4.19Å; F291-T295 HydrophobicContact CE1-CG2 3.83Å; F291-T295 HydrophobicContact CZ-CG2 4.03Å; F291-T295 WeakPolarHBondContact O-CG2 3.28Å; F291-T295 PolarHBondContact O-N 3.48Å; F291-F383 HydrophobicContact CB-CE2 4.08Å; F291-F383 HydrophobicContact CD1-CD2 4.14Å; F291-F383 AromaticContact CD1-CE2 3.3Å; F291-F383 HydrophobicContact CD1-CE2 3.3Å; F291-F383 AromaticContact CD1-CZ 3.55Å; F291-F383 HydrophobicContact CD1-CZ 3.55Å; F291-F383 AromaticContact CE1-CE2 3.98Å; F291-F383 HydrophobicContact CE1-CE2 3.98Å; F291-F383 AromaticContact CE1-CZ 3.9Å; F291-F383 HydrophobicContact CE1-CZ 3.9Å; F291-F383 AromaticContact CG-CE2 3.93Å; F291-F383 HydrophobicContact CG-CE2 3.93Å
292L94.9Very high96.3Very high18 Ų1845.8 Ų45.89%0.09425%0.25CC..Hα-helixtrans-61.6-35.5178.9-71.3176.1000112.6A268 Q274 V288 T295 F383A268-L292 HydrophobicContact CB-CD2 4.24Å; Q274-L292 PolarHBondContact NE2-O 3.4Å; Q274-L292 VanDerWaalsContact NE2-O 3.12Å; Q274-L292 PolarHBondContact OE1-O 2.83Å; V288-L292 HydrophobicContact CG1-CD1 3.92Å; V288-L292 HydrophobicContact CG1-CG 4.34Å; V288-L292 WeakPolarHBondContact O-CB 3.16Å; V288-L292 VanDerWaalsContact O-CG 3.32Å; V288-L292 WeakPolarHBondContact O-CG 3.48Å; V288-L292 PolarHBondContact O-N 3.09Å; L292-T295 PolarHBondContact O-N 3.13Å; L292-T295 PolarHBondContact O-OG1 3.22Å; L292-F383 HydrophobicContact CD2-CZ 3.95Å; L292-F383 HydrophobicContact CG-CZ 4.12Å
293S95.8Very high96.3Very high62 Ų6245.4 Ų45.443%0.43425%0.248SC..Hα-helixtrans-64.7-43.7173-168.50000110.8A289 E290 F291 T295 R296A289-S293 VanDerWaalsContact O-CB 3.26Å; A289-S293 WeakPolarHBondContact O-CB 3.35Å; A289-S293 PolarHBondContact O-N 3.37Å; E290-S293 PolarHBondContact O-N 3.2Å; F291-S293 VanDerWaalsContact C-N 3.29Å; F291-S293 PolarHBondContact O-N 3.26Å; S293-T295 VanDerWaalsContact C-N 3.28Å; S293-T295 PolarHBondContact O-N 2.67Å; S293-R296 VanDerWaalsContact O-CB 3.3Å; S293-R296 WeakPolarHBondContact O-CB 3.37Å; S293-R296 WeakPolarHBondContact O-CG 3.43Å; S293-R296 PolarHBondContact O-N 3.43Å; S293-R296 VanDerWaalsContact O-N 3.13Å
294S94.8Very high96.4Very high53 Ų5341.2 Ų41.237%0.37123%0.225SC..Hα-helixtrans-63.4-30.417885.50000113E290 F291 R296 R297E290-S294 WeakPolarHBondContact O-CB 3.12Å; E290-S294 PolarHBondContact O-N 3.31Å; F291-S294 WeakPolarHBondContact O-CA 3.46Å; F291-S294 WeakPolarHBondContact O-CB 3.35Å; F291-S294 PolarHBondContact O-N 3.02Å; F291-S294 PolarHBondContact O-OG 3.31Å; S294-R296 PolarHBondContact O-N 3.33Å; S294-R297 WeakPolarHBondContact O-CD 3.15Å; S294-R297 WeakPolarHBondContact O-CG 3.33Å; S294-R297 PolarHBondContact O-NE 3.16Å
295T95.3Very high96.5Very high6 Ų645.8 Ų45.84%0.03724%0.241CC..Hα-helixtrans-70.4-19.517867.80000112.6A268 Q274 F291 L292 S293 R297 F298A268-T295 HydrophobicContact CB-CG2 3.96Å; A268-T295 WeakPolarHBondContact O-CB 3.44Å; A268-T295 PolarHBondContact O-OG1 3.18Å; Q274-T295 PolarHBondContact NE2-OG1 2.98Å; Q274-T295 VanDerWaalsContact NE2-OG1 3.13Å; F291-T295 HydrophobicContact CD1-CG2 4.19Å; F291-T295 HydrophobicContact CE1-CG2 3.83Å; F291-T295 HydrophobicContact CZ-CG2 4.03Å; F291-T295 WeakPolarHBondContact O-CG2 3.28Å; F291-T295 PolarHBondContact O-N 3.48Å; L292-T295 PolarHBondContact O-N 3.13Å; L292-T295 PolarHBondContact O-OG1 3.22Å; S293-T295 VanDerWaalsContact C-N 3.28Å; S293-T295 PolarHBondContact O-N 2.67Å; T295-R297 PolarHBondContact O-N 3.35Å; T295-R297 VanDerWaalsContact O-N 3.17Å; T295-F298 PolarHBondContact O-N 2.81Å; T295-F298 VanDerWaalsContact O-N 3.07Å
296R97.3Very high96.6Very high47 Ų4744 Ų4418%0.17723%0.227CC..G310 helixtrans-62.2-25.2-179.4-61.5-175.8-175.4146.112.8113S293 S294 F298 M299 R304S293-R296 VanDerWaalsContact O-CB 3.3Å; S293-R296 WeakPolarHBondContact O-CB 3.37Å; S293-R296 WeakPolarHBondContact O-CG 3.43Å; S293-R296 PolarHBondContact O-N 3.43Å; S293-R296 VanDerWaalsContact O-N 3.13Å; S294-R296 PolarHBondContact O-N 3.33Å; R296-F298 PolarHBondContact O-N 3.14Å; R296-M299 HydrophobicContact CB-SD 4Å; R296-M299 HydrophobicContact CG-CE 4.07Å; R296-M299 HydrophobicContact CG-SD 3.81Å; R296-M299 WeakPolarHBondContact O-CB 3.3Å; R296-M299 PolarHBondContact O-N 3.24Å; R296-R304 HydrophobicContact CB-CG 4.32Å; R296-R304 WeakPolarHBondContact O-CD 3.44Å; R296-R304 VanDerWaalsContact O-CZ 3.22Å; R296-R304 PolarHBondContact O-NE 2.85Å; R296-R304 PolarHBondContact O-NH2 3.24Å
297R97.2Very high96.6Very high86 Ų8639.1 Ų39.133%0.32520%0.196SC..G310 helixtrans-60.5-14.6175.173.5-156.5179.3124.7-12.3114.4I113 D114 S294 T295 R304I113-R297 WeakPolarHBondContact CA-O 3.07Å; D114-R297 HydrophobicContact CB-CB 4.32Å; D114-R297 HydrophobicContact CB-CG 3.96Å; D114-R297 PolarHBondContact N-O 2.98Å; D114-R297 WeakPolarHBondContact OD2-CD 3.46Å; D114-R297 WeakPolarHBondContact OD2-CG 3.48Å; D114-R297 IonicContact OD2-CZ 2.77Å; D114-R297 IonicContact OD2-NE 2.6Å; D114-R297 IonicContact OD2-NH1 3.74Å; D114-R297 PolarHBondContact OD2-NH1 3.47Å; S294-R297 WeakPolarHBondContact O-CD 3.15Å; S294-R297 WeakPolarHBondContact O-CG 3.33Å; S294-R297 PolarHBondContact O-NE 3.16Å; T295-R297 PolarHBondContact O-N 3.35Å; T295-R297 VanDerWaalsContact O-N 3.17Å; R297-R304 VanDerWaalsContact C-NH2 3.34Å; R297-R304 PolarHBondContact O-NH2 3.21Å
298F98Very high96.8Very high3 Ų340 Ų401%0.01320%0.198CC..G310 helixtrans-100-1.3173.9-55.5-73.5000113.7D114 T121 I263 Q269 T295 R296D114-F298 HydrophobicContact CB-CD1 3.98Å; D114-F298 HydrophobicContact CB-CE1 3.54Å; D114-F298 HydrophobicContact CB-CZ 4.09Å; D114-F298 WeakPolarHBondContact O-CD1 3.14Å; T121-F298 VanDerWaalsContact CG2-O 3.27Å; T121-F298 WeakPolarHBondContact CG2-O 3.29Å; I263-F298 HydrophobicContact CB-CE2 3.83Å; I263-F298 HydrophobicContact CB-CZ 3.59Å; I263-F298 HydrophobicContact CG1-CE2 4.06Å; I263-F298 HydrophobicContact CG1-CZ 3.8Å; I263-F298 HydrophobicContact CG2-CE2 4.09Å; I263-F298 HydrophobicContact CG2-CZ 4.34Å; Q269-F298 HydrophobicContact CB-CB 4.33Å; Q269-F298 HydrophobicContact CG-CB 3.98Å; Q269-F298 HydrophobicContact CG-CD2 4.11Å; Q269-F298 HydrophobicContact CG-CG 4.35Å; T295-F298 PolarHBondContact O-N 2.81Å; T295-F298 VanDerWaalsContact O-N 3.07Å; R296-F298 PolarHBondContact O-N 3.14Å
299M98.4Very high96.8Very high2 Ų241.1 Ų41.11%0.0120%0.202CC..SBendtrans-88.5147.8172.9-59.5170.9-179.800109.8I113 Q269 S270 C271 Q274 R296 R304 I307I113-M299 WeakPolarHBondContact CG2-O 3.25Å; Q269-M299 WeakPolarHBondContact O-CE 3.29Å; Q269-M299 VanDerWaalsContact O-CG 3.26Å; Q269-M299 WeakPolarHBondContact O-CG 3.49Å; S270-M299 VanDerWaalsContact O-CE 3.24Å; S270-M299 WeakPolarHBondContact O-CE 3.35Å; C271-M299 VanDerWaalsContact SG-CG 3.58Å; C271-M299 PolarHBondContact SG-SD 2.95Å; Q274-M299 HydrophobicContact CG-CE 4.49Å; R296-M299 HydrophobicContact CB-SD 4Å; R296-M299 HydrophobicContact CG-CE 4.07Å; R296-M299 HydrophobicContact CG-SD 3.81Å; R296-M299 WeakPolarHBondContact O-CB 3.3Å; R296-M299 PolarHBondContact O-N 3.24Å; M299-R304 HydrophobicContact CB-CG 3.83Å; M299-R304 PolarHBondContact O-NE 3.46Å; M299-R304 PolarHBondContact O-NH2 3.3Å; M299-R304 HydrophobicContact SD-CG 4.48Å; M299-I307 HydrophobicContact CE-CD1 4.17Å; M299-I307 HydrophobicContact SD-CD1 3.7Å
300L98.5Very high96.9Very high3 Ų339.3 Ų39.32%0.01619%0.187CC..  trans-58.1143.5171.2-66.7175.4000111L111 I113 S302 H303 R304L111-L300 HydrophobicContact CB-CD2 4.25Å; L111-L300 HydrophobicContact CD2-CD2 4.26Å; I113-L300 HydrophobicContact CG2-CD2 4.2Å; L300-S302 PolarHBondContact O-N 3.09Å; L300-S302 VanDerWaalsContact O-N 3.13Å; L300-H303 PolarHBondContact O-N 3.49Å; L300-R304 PolarHBondContact O-N 2.85Å; L300-R304 VanDerWaalsContact O-N 3.09Å
301P98.5Very high96.8Very high48 Ų4837.9 Ų37.931%0.31218%0.176SC..Hα-helixtrans-52.9-37.8-178.8-29.735.1000113.9L111 H303 R304 R305L111-P301 WeakPolarHBondContact O-CD 3.48Å; P301-H303 PolarHBondContact O-N 3.24Å; P301-R304 PolarHBondContact O-N 2.96Å; P301-R305 WeakPolarHBondContact O-CG 3.45Å; P301-R305 PolarHBondContact O-N 3.48Å
302S98Very high96.5Very high7 Ų739.1 Ų39.15%0.04919%0.189CC..Hα-helixtrans-66.3-36.4178.764.90000112.7F7 L300 R305 F306F7-S302 WeakPolarHBondContact O-CB 3.4Å; F7-S302 PolarHBondContact O-OG 3.49Å; L300-S302 PolarHBondContact O-N 3.09Å; L300-S302 VanDerWaalsContact O-N 3.13Å; S302-R305 WeakPolarHBondContact O-CB 3.23Å; S302-R305 PolarHBondContact O-N 3.04Å; S302-F306 PolarHBondContact O-N 3.31Å; S302-F306 VanDerWaalsContact O-N 3.14Å
303H98.4Very high95.8Very high4 Ų442.5 Ų42.52%0.01920%0.2CC..Hα-helixtrans-73.1-34.5176.7-53.5179.9000111.7F15 C271 L300 P301 R305 F306 I307F15-H303 HydrophobicContact CD1-CB 3.96Å; F15-H303 AromaticContact CD1-CD2 3.87Å; F15-H303 AromaticContact CD1-CE1 3.95Å; F15-H303 AromaticContact CD1-CG 3.59Å; F15-H303 AromaticContact CD1-ND1 3.63Å; F15-H303 HydrophobicContact CE1-CB 4.12Å; F15-H303 PolarHBondContact O-CE1 3.06Å; C271-H303 WeakPolarHBondContact SG-CB 3.11Å; L300-H303 PolarHBondContact O-N 3.49Å; P301-H303 PolarHBondContact O-N 3.24Å; H303-R305 VanDerWaalsContact C-N 3.32Å; H303-R305 PolarHBondContact O-N 3Å; H303-F306 WeakPolarHBondContact O-CB 3.35Å; H303-F306 PolarHBondContact O-N 3.48Å; H303-I307 PolarHBondContact O-N 3.16Å
304R98.2Very high94.6Very high73 Ų7350 Ų5028%0.27523%0.225SC..Hα-helixtrans-61.1-42.8171-59.2179.2-150.8175.40.3111.2G112 R296 R297 M299 L300 P301 F306 I307 E308G112-R304 PolarHBondContact O-NH2 2.98Å; R296-R304 HydrophobicContact CB-CG 4.32Å; R296-R304 WeakPolarHBondContact O-CD 3.44Å; R296-R304 VanDerWaalsContact O-CZ 3.22Å; R296-R304 PolarHBondContact O-NE 2.85Å; R296-R304 PolarHBondContact O-NH2 3.24Å; R297-R304 VanDerWaalsContact C-NH2 3.34Å; R297-R304 PolarHBondContact O-NH2 3.21Å; M299-R304 HydrophobicContact CB-CG 3.83Å; M299-R304 PolarHBondContact O-NE 3.46Å; M299-R304 PolarHBondContact O-NH2 3.3Å; M299-R304 HydrophobicContact SD-CG 4.48Å; L300-R304 PolarHBondContact O-N 2.85Å; L300-R304 VanDerWaalsContact O-N 3.09Å; P301-R304 PolarHBondContact O-N 2.96Å; R304-F306 PolarHBondContact O-N 2.9Å; R304-I307 PolarHBondContact O-N 2.78Å; R304-E308 PolarHBondContact O-N 2.97Å
305R97.9Very high94Very high126 Ų12654.4 Ų54.448%0.47523%0.234SC..Hα-helixtrans-61.2-33.5175.8-70.9-166.6-52.6-95.45.6112F7 P301 S302 H303 E308 W309F7-R305 HydrophobicContact CD1-CB 4.02Å; F7-R305 HydrophobicContact CE1-CB 4.2Å; P301-R305 WeakPolarHBondContact O-CG 3.45Å; P301-R305 PolarHBondContact O-N 3.48Å; S302-R305 WeakPolarHBondContact O-CB 3.23Å; S302-R305 PolarHBondContact O-N 3.04Å; H303-R305 VanDerWaalsContact C-N 3.32Å; H303-R305 PolarHBondContact O-N 3Å; R305-E308 PolarHBondContact O-N 2.98Å; R305-W309 WeakPolarHBondContact O-CB 3.35Å; R305-W309 PolarHBondContact O-N 2.98Å
306F98.2Very high93.6Very high0 Ų056 Ų560%025%0.245CC..Hα-helixtrans-63.3-48.1175.1-179.8-108.9000112.1F7 F15 F173 L177 L180 F181 S302 H303 R304 E308 W309 L310F7-F306 HydrophobicContact CB-CB 3.98Å; F7-F306 HydrophobicContact CB-CD2 4.35Å; F7-F306 HydrophobicContact CD1-CB 3.87Å; F7-F306 HydrophobicContact CD1-CD2 4.44Å; F7-F306 AromaticContact CD2-CD2 3.7Å; F7-F306 HydrophobicContact CD2-CD2 3.7Å; F7-F306 HydrophobicContact CE2-CD2 4.03Å; F7-F306 HydrophobicContact CG-CB 3.87Å; F7-F306 AromaticContact CG-CD2 3.91Å; F7-F306 HydrophobicContact CG-CD2 3.91Å; F7-F306 HydrophobicContact CG-CG 4.37Å; F15-F306 AromaticContact CE1-CD1 3.76Å; F15-F306 HydrophobicContact CE1-CD1 3.76Å; F15-F306 HydrophobicContact CE1-CE1 4.32Å; F15-F306 HydrophobicContact CE1-CG 4.37Å; F15-F306 AromaticContact CZ-CD1 3.54Å; F15-F306 HydrophobicContact CZ-CD1 3.54Å; F15-F306 AromaticContact CZ-CE1 3.76Å; F15-F306 HydrophobicContact CZ-CE1 3.76Å; F173-F306 HydrophobicContact CE1-CE1 4.5Å; F173-F306 HydrophobicContact CZ-CE1 4.45Å; L177-F306 HydrophobicContact CD2-CZ 3.99Å; L180-F306 HydrophobicContact CD1-CE1 4.44Å; L180-F306 HydrophobicContact CD1-CZ 4.11Å; F181-F306 AromaticContact CE2-CE2 3.59Å; F181-F306 HydrophobicContact CE2-CE2 3.59Å; F181-F306 HydrophobicContact CE2-CZ 4.21Å; F181-F306 HydrophobicContact CZ-CD2 4.47Å; F181-F306 AromaticContact CZ-CE2 3.81Å; F181-F306 HydrophobicContact CZ-CE2 3.81Å; S302-F306 PolarHBondContact O-N 3.31Å; S302-F306 VanDerWaalsContact O-N 3.14Å; H303-F306 WeakPolarHBondContact O-CB 3.35Å; H303-F306 PolarHBondContact O-N 3.48Å; R304-F306 PolarHBondContact O-N 2.9Å; F306-E308 VanDerWaalsContact C-N 3.33Å; F306-E308 PolarHBondContact O-N 2.86Å; F306-W309 HydrophobicContact CD2-CE3 4.03Å; F306-W309 HydrophobicContact CD2-CZ3 4.37Å; F306-W309 AromaticContact CE2-CE3 3.95Å; F306-W309 HydrophobicContact CE2-CE3 3.95Å; F306-W309 AromaticContact CE2-CZ3 3.85Å; F306-W309 HydrophobicContact CE2-CZ3 3.85Å; F306-W309 WeakPolarHBondContact O-CB 3.44Å; F306-W309 PolarHBondContact O-N 3.3Å; F306-L310 HydrophobicContact CD1-CD1 4.13Å; F306-L310 HydrophobicContact CE1-CD1 3.64Å; F306-L310 HydrophobicContact CE1-CG 4.48Å; F306-L310 HydrophobicContact CE2-CD1 4.49Å; F306-L310 HydrophobicContact CZ-CD1 3.85Å; F306-L310 HydrophobicContact CZ-CG 4.36Å; F306-L310 PolarHBondContact O-N 2.94Å
307I97.8Very high93.2Very high1 Ų153.9 Ų53.91%0.00524%0.237CC..Hα-helixtrans-60.5-44.6175.7-62.8166000110.6C271 Q274 A278 M299 H303 R304 W309 L310 R311C271-I307 HydrophobicContact CB-CD1 4.06Å; Q274-I307 HydrophobicContact CB-CD1 3.89Å; Q274-I307 HydrophobicContact CB-CG1 4.48Å; A278-I307 HydrophobicContact CB-CG2 4.31Å; M299-I307 HydrophobicContact CE-CD1 4.17Å; M299-I307 HydrophobicContact SD-CD1 3.7Å; H303-I307 PolarHBondContact O-N 3.16Å; R304-I307 PolarHBondContact O-N 2.78Å; I307-W309 VanDerWaalsContact C-N 3.32Å; I307-W309 PolarHBondContact O-N 3.48Å; I307-L310 PolarHBondContact O-N 3.11Å; I307-R311 PolarHBondContact O-N 3.49Å
308E96.8Very high92.9Very high91 Ų9151.9 Ų51.943%0.42523%0.23SC..Hα-helixtrans-66.9-36.2179.6-172.251.1-140.100112.1R304 R305 F306 R311 S312R304-E308 PolarHBondContact O-N 2.97Å; R305-E308 PolarHBondContact O-N 2.98Å; F306-E308 VanDerWaalsContact C-N 3.33Å; F306-E308 PolarHBondContact O-N 2.86Å; E308-R311 PolarHBondContact O-N 3.22Å; E308-R311 IonicContact OE2-NH1 3.91Å; E308-R311 PolarHBondContact OE2-NH1 3.07Å; E308-S312 WeakPolarHBondContact O-CB 3.22Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 PolarHBondContact O-OG 2.66Å
309W96.3Very high92.5Very high24 Ų2453.6 Ų53.69%0.09124%0.242CC..Hα-helixtrans-60.8-46.3172.4171.475.9000110.7M1 P2 F7 F181 V184 R305 F306 I307 R311 R313M1-W309 HydrophobicContact CE-CH2 4.05Å; M1-W309 HydrophobicContact CE-CZ2 3.62Å; M1-W309 HydrophobicContact SD-CZ2 4.33Å; P2-W309 HydrophobicContact CG-CD2 4.18Å; P2-W309 HydrophobicContact CG-CG 4.49Å; P2-W309 HydrophobicContact CG-CZ2 3.77Å; F7-W309 HydrophobicContact CE1-CB 3.84Å; F7-W309 HydrophobicContact CE1-CG 4.25Å; F7-W309 HydrophobicContact CE2-CD2 4.22Å; F7-W309 HydrophobicContact CE2-CE3 4.23Å; F7-W309 HydrophobicContact CE2-CG 4.43Å; F7-W309 HydrophobicContact CZ-CB 3.68Å; F7-W309 AromaticContact CZ-CD2 3.83Å; F7-W309 HydrophobicContact CZ-CD2 3.83Å; F7-W309 HydrophobicContact CZ-CE3 4.19Å; F7-W309 AromaticContact CZ-CG 3.58Å; F7-W309 HydrophobicContact CZ-CG 3.58Å; F181-W309 AromaticContact CD1-CH2 3.4Å; F181-W309 HydrophobicContact CD1-CH2 3.4Å; F181-W309 HydrophobicContact CD1-CZ2 4.07Å; F181-W309 HydrophobicContact CD1-CZ3 4.08Å; F181-W309 HydrophobicContact CD2-CH2 4.27Å; F181-W309 HydrophobicContact CD2-CZ3 4.32Å; F181-W309 AromaticContact CE1-CH2 3.5Å; F181-W309 HydrophobicContact CE1-CH2 3.5Å; F181-W309 HydrophobicContact CE1-CZ2 4.1Å; F181-W309 AromaticContact CE1-CZ3 3.84Å; F181-W309 HydrophobicContact CE1-CZ3 3.84Å; F181-W309 HydrophobicContact CE2-CH2 4.4Å; F181-W309 HydrophobicContact CE2-CZ3 4.15Å; F181-W309 AromaticContact CG-CH2 3.81Å; F181-W309 HydrophobicContact CG-CH2 3.81Å; F181-W309 HydrophobicContact CG-CZ3 4.31Å; F181-W309 HydrophobicContact CZ-CH2 4.04Å; F181-W309 AromaticContact CZ-CZ3 3.89Å; F181-W309 HydrophobicContact CZ-CZ3 3.89Å; V184-W309 HydrophobicContact CB-CH2 4.18Å; V184-W309 HydrophobicContact CB-CZ2 4.23Å; V184-W309 HydrophobicContact CG1-CH2 4.3Å; V184-W309 HydrophobicContact CG1-CZ2 3.84Å; V184-W309 HydrophobicContact CG2-CH2 3.93Å; V184-W309 HydrophobicContact CG2-CZ2 4.25Å; V184-W309 HydrophobicContact CG2-CZ3 4.4Å; R305-W309 WeakPolarHBondContact O-CB 3.35Å; R305-W309 PolarHBondContact O-N 2.98Å; F306-W309 HydrophobicContact CD2-CE3 4.03Å; F306-W309 HydrophobicContact CD2-CZ3 4.37Å; F306-W309 AromaticContact CE2-CE3 3.95Å; F306-W309 HydrophobicContact CE2-CE3 3.95Å; F306-W309 AromaticContact CE2-CZ3 3.85Å; F306-W309 HydrophobicContact CE2-CZ3 3.85Å; F306-W309 WeakPolarHBondContact O-CB 3.44Å; F306-W309 PolarHBondContact O-N 3.3Å; I307-W309 VanDerWaalsContact C-N 3.32Å; I307-W309 PolarHBondContact O-N 3.48Å; W309-R311 VanDerWaalsContact C-N 3.31Å; W309-R311 PolarHBondContact O-N 3.39Å; W309-R313 PolarHBondContact O-NE 2.94Å; W309-R313 PolarHBondContact O-NH2 3.29Å
310L96.5Very high92Very high4 Ų454.6 Ų54.62%0.02125%0.246CC..Hα-helixtrans-60.8-37.6175.7-69.2171.8000112.8L180 V184 A278 I279 F306 I307 R313L180-L310 HydrophobicContact CB-CD2 4.42Å; L180-L310 HydrophobicContact CD1-CD1 4.45Å; V184-L310 HydrophobicContact CG2-CD2 4.06Å; A278-L310 HydrophobicContact CB-CB 3.78Å; I279-L310 HydrophobicContact CB-CD2 4.43Å; I279-L310 HydrophobicContact CD1-CD2 4.33Å; F306-L310 HydrophobicContact CD1-CD1 4.13Å; F306-L310 HydrophobicContact CE1-CD1 3.64Å; F306-L310 HydrophobicContact CE1-CG 4.48Å; F306-L310 HydrophobicContact CE2-CD1 4.49Å; F306-L310 HydrophobicContact CZ-CD1 3.85Å; F306-L310 HydrophobicContact CZ-CG 4.36Å; F306-L310 PolarHBondContact O-N 2.94Å; I307-L310 PolarHBondContact O-N 3.11Å; L310-R313 WeakPolarHBondContact O-CG 3.41Å
311R92.8Very high91.6Very high100 Ų10054.5 Ų54.538%0.37725%0.246SC..Hα-helixtrans-75.3-41.5-177.8-172.9176.9-65.8116.17114A278 I307 E308 W309 R313A278-R311 HydrophobicContact CB-CB 4.3Å; I307-R311 PolarHBondContact O-N 3.49Å; E308-R311 PolarHBondContact O-N 3.22Å; E308-R311 IonicContact OE2-NH1 3.91Å; E308-R311 PolarHBondContact OE2-NH1 3.07Å; W309-R311 VanDerWaalsContact C-N 3.31Å; W309-R311 PolarHBondContact O-N 3.39Å; R311-R313 PolarHBondContact O-N 3.36Å
312S87.2Confident91.2Very high63 Ų6356.8 Ų56.844%0.44126%0.255SS..  trans-78.637.1-167.653.20000114.8E308E308-S312 WeakPolarHBondContact O-CB 3.22Å; E308-S312 PolarHBondContact O-N 3.49Å; E308-S312 PolarHBondContact O-OG 2.66Å
313R80.1Confident90.7Very high89 Ų8962.6 Ų62.634%0.33628%0.281SS..  trans-91.3132.6-176.8-57.7-53.592-166.57.9111.7V184 W309 L310 R311 R315V184-R313 HydrophobicContact CG1-CG 4.44Å; W309-R313 PolarHBondContact O-NE 2.94Å; W309-R313 PolarHBondContact O-NH2 3.29Å; L310-R313 WeakPolarHBondContact O-CG 3.41Å; R311-R313 PolarHBondContact O-N 3.36Å; R313-R315 VanDerWaalsContact C-N 3.35Å; R313-R315 PolarHBondContact O-N 2.83Å
314K70.8Confident89.6Confident219 Ų21968 Ų6895%0.95230%0.301SS*.SBendtrans-64.2-36.5176.9-70.6-174.4177.1-1780113.2
315R81Confident88.4Confident147 Ų14767.9 Ų67.956%0.55531%0.309SS*.SBendtrans-122.2122.9171.3-64.4-173.5-179.3171.2-0.3107.4R313 Y320R313-R315 VanDerWaalsContact C-N 3.35Å; R313-R315 PolarHBondContact O-N 2.83Å; R315-Y320 HydrophobicContact CB-CE2 4.05Å; R315-Y320 WeakPolarHBondContact CD-OH 3.23Å; R315-Y320 PolarHBondContact NH1-OH 3.26Å
316S87.1Confident87.8Confident39 Ų3963.3 Ų63.327%0.27330%0.296SS..  trans-104.5155.5-179.768.20000110.5R318 S319 Y320S316-R318 PolarHBondContact O-N 3.2Å; S316-S319 PolarHBondContact N-OG 3.13Å; S316-S319 VanDerWaalsContact N-OG 3.15Å; S316-S319 WeakPolarHBondContact O-CB 3.04Å; S316-S319 PolarHBondContact O-N 2.91Å; S316-S319 PolarHBondContact O-OG 2.94Å; S316-S319 WeakPolarHBondContact OG-CB 3.18Å; S316-S319 PolarHBondContact OG-N 3.23Å; S316-S319 VanDerWaalsContact OG-N 3.1Å; S316-Y320 PolarHBondContact O-N 2.91Å
317V88.8Confident87.5Confident3 Ų365.4 Ų65.42%0.01832%0.317CS..Hα-helixtrans-53.7-45.7173.1178.90000110.2L183 A187 M195 L199 I279 S319 Y320 V321 Y333L183-V317 HydrophobicContact CB-CG2 4.05Å; L183-V317 HydrophobicContact CD2-CG2 4.03Å; A187-V317 HydrophobicContact CB-CG2 4.21Å; M195-V317 HydrophobicContact SD-CG2 4.5Å; L199-V317 HydrophobicContact CD1-CG1 3.9Å; L199-V317 HydrophobicContact CD2-CG1 4.18Å; L199-V317 HydrophobicContact CG-CG1 4.37Å; I279-V317 HydrophobicContact CD1-CG2 4.46Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.33Å; V317-Y320 PolarHBondContact O-N 3.23Å; V317-Y320 VanDerWaalsContact O-N 3.16Å; V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 VanDerWaalsContact O-CG2 3.23Å; V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.08Å; V317-V321 VanDerWaalsContact O-N 3.09Å; V317-Y333 HydrophobicContact CG1-CD2 4.33Å
318R91.4Very high87.4Confident43 Ų4370.1 Ų70.116%0.16234%0.339CS..Hα-helixtrans-58.1-36.8177.2-173.3174.4178.274.80.9112.9A281 S316 Y320 V321 L322 Y333 S394A281-R318 HydrophobicContact CB-CB 3.85Å; A281-R318 HydrophobicContact CB-CG 4.33Å; A281-R318 WeakPolarHBondContact O-CD 3.48Å; S316-R318 PolarHBondContact O-N 3.2Å; R318-Y320 VanDerWaalsContact C-N 3.34Å; R318-Y320 PolarHBondContact O-N 2.92Å; R318-V321 PolarHBondContact O-N 3.03Å; R318-L322 HydrophobicContact CG-CD1 4.01Å; R318-L322 HydrophobicContact CG-CG 4.22Å; R318-L322 WeakPolarHBondContact O-CB 3.21Å; R318-L322 VanDerWaalsContact O-CG 3.3Å; R318-L322 WeakPolarHBondContact O-CG 3.5Å; R318-L322 PolarHBondContact O-N 3.01Å; R318-Y333 HydrophobicContact CB-CE2 4.35Å; R318-Y333 PolarHBondContact NH1-OH 2.63Å; R318-S394 PolarHBondContact NH1-O 3.05Å
319S90.1Very high87.3Confident39 Ų3965.8 Ų65.827%0.27332%0.319SS..Hα-helixtrans-63.9-36.6178.469.80000113.3S316 V317 Q323S316-S319 PolarHBondContact N-OG 3.13Å; S316-S319 VanDerWaalsContact N-OG 3.15Å; S316-S319 WeakPolarHBondContact O-CB 3.04Å; S316-S319 PolarHBondContact O-N 2.91Å; S316-S319 PolarHBondContact O-OG 2.94Å; S316-S319 WeakPolarHBondContact OG-CB 3.18Å; S316-S319 PolarHBondContact OG-N 3.23Å; S316-S319 VanDerWaalsContact OG-N 3.1Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.33Å; S319-Q323 WeakPolarHBondContact O-CG 3.48Å
320Y88.2Confident87.3Confident24 Ų2464.7 Ų64.79%0.09432%0.315CS..Hα-helixtrans-70.4-45.4173.1-80.5-88.1000111.2A187 G190 E192 M195 R315 S316 V317 R318 L322 Q323A187-Y320 VanDerWaalsContact O-CE2 3.31Å; A187-Y320 WeakPolarHBondContact O-CE2 3.48Å; G190-Y320 WeakPolarHBondContact CA-OH 3.39Å; E192-Y320 HydrophobicContact CG-CD1 4.5Å; M195-Y320 HydrophobicContact CE-CD1 3.94Å; M195-Y320 HydrophobicContact CE-CD2 3.98Å; M195-Y320 HydrophobicContact CE-CE1 4.42Å; M195-Y320 HydrophobicContact CE-CE2 4.45Å; M195-Y320 HydrophobicContact CE-CG 3.72Å; M195-Y320 HydrophobicContact SD-CD2 4.2Å; M195-Y320 HydrophobicContact SD-CG 4.38Å; R315-Y320 HydrophobicContact CB-CE2 4.05Å; R315-Y320 WeakPolarHBondContact CD-OH 3.23Å; R315-Y320 PolarHBondContact NH1-OH 3.26Å; S316-Y320 PolarHBondContact O-N 2.91Å; V317-Y320 PolarHBondContact O-N 3.23Å; V317-Y320 VanDerWaalsContact O-N 3.16Å; R318-Y320 VanDerWaalsContact C-N 3.34Å; R318-Y320 PolarHBondContact O-N 2.92Å; Y320-L322 VanDerWaalsContact C-N 3.28Å; Y320-L322 PolarHBondContact O-N 3.21Å; Y320-Q323 WeakPolarHBondContact O-CB 3.26Å; Y320-Q323 PolarHBondContact O-N 3.24Å
321V88.9Confident87.3Confident1 Ų167.6 Ų67.61%0.00633%0.331CS..Hα-helixtrans-60.9-38.8-179.2-172.20000111.4V317 R318 Q323 R324 L329 V330 Y333 I396V317-V321 HydrophobicContact CG1-CG2 4.19Å; V317-V321 VanDerWaalsContact O-CG2 3.23Å; V317-V321 WeakPolarHBondContact O-CG2 3.45Å; V317-V321 PolarHBondContact O-N 3.08Å; V317-V321 VanDerWaalsContact O-N 3.09Å; R318-V321 PolarHBondContact O-N 3.03Å; V321-Q323 VanDerWaalsContact C-N 3.27Å; V321-Q323 PolarHBondContact O-N 3.08Å; V321-R324 PolarHBondContact O-N 3.09Å; V321-L329 HydrophobicContact CG2-CD1 4.2Å; V321-L329 HydrophobicContact CG2-CD2 4.3Å; V321-L329 HydrophobicContact CG2-CG 3.85Å; V321-V330 HydrophobicContact CG1-CB 4.21Å; V321-V330 HydrophobicContact CG1-CG2 3.79Å; V321-Y333 HydrophobicContact CB-CG 4.41Å; V321-Y333 HydrophobicContact CG1-CD1 4.12Å; V321-Y333 HydrophobicContact CG1-CG 4.08Å; V321-Y333 HydrophobicContact CG2-CD2 3.97Å; V321-Y333 HydrophobicContact CG2-CG 3.86Å; V321-I396 HydrophobicContact CB-CD1 3.86Å; V321-I396 HydrophobicContact CG1-CD1 3.37Å
322L89.9Confident87.5Confident95 Ų9562.8 Ų62.850%0.49731%0.313SS..Hα-helixtrans-67.3-23.3177-74.1173.3000113.8R318 Y320 R324 I396R318-L322 HydrophobicContact CG-CD1 4.01Å; R318-L322 HydrophobicContact CG-CG 4.22Å; R318-L322 WeakPolarHBondContact O-CB 3.21Å; R318-L322 VanDerWaalsContact O-CG 3.3Å; R318-L322 WeakPolarHBondContact O-CG 3.5Å; R318-L322 PolarHBondContact O-N 3.01Å; Y320-L322 VanDerWaalsContact C-N 3.28Å; Y320-L322 PolarHBondContact O-N 3.21Å; L322-R324 PolarHBondContact O-N 3.36Å; L322-I396 HydrophobicContact CD2-CD1 3.78Å; L322-I396 HydrophobicContact CD2-CG1 4.07Å; L322-I396 HydrophobicContact CG-CD1 4.12Å
323Q88Confident88Confident129 Ų12959.8 Ų59.860%0.60329%0.292SS*.THydrogen-bonded Turntrans-73.1-7.7171.9-67.3172.115.700112.2S319 Y320 V321 T325S319-Q323 WeakPolarHBondContact O-CG 3.48Å; Y320-Q323 WeakPolarHBondContact O-CB 3.26Å; Y320-Q323 PolarHBondContact O-N 3.24Å; V321-Q323 VanDerWaalsContact C-N 3.27Å; V321-Q323 PolarHBondContact O-N 3.08Å; Q323-T325 HydrophobicContact CB-CG2 3.82Å; Q323-T325 PolarHBondContact O-N 3Å
324R76.3Confident88.9Confident117 Ų11756.6 Ų56.644%0.44228%0.281SS..THydrogen-bonded Turntrans51.137.3178.4-59.7-176.5-179.9-176.3-2.2113.1V321 L322 S326 P399V321-R324 PolarHBondContact O-N 3.09Å; L322-R324 PolarHBondContact O-N 3.36Å; R324-S326 VanDerWaalsContact C-N 3.32Å; R324-S326 PolarHBondContact O-N 3.14Å; R324-P399 HydrophobicContact CB-CB 4.5Å
325T72.6Confident90.2Very high71 Ų7148.8 Ų48.844%0.43625%0.248SC..  trans-69.9-28.1-177.5480000113.2E192 Q323E192-T325 WeakPolarHBondContact OE1-CB 3.15Å; E192-T325 PolarHBondContact OE1-OG1 2.79Å; E192-T325 PolarHBondContact OE2-OG1 2.77Å; Q323-T325 HydrophobicContact CB-CG2 3.82Å; Q323-T325 PolarHBondContact O-N 3Å
326S85.3Confident91Very high31 Ų3141.8 Ų41.822%0.21722%0.222CC..  trans-145.2127.5-178.7169.70000111.6R324 E328 L329 V330R324-S326 VanDerWaalsContact C-N 3.32Å; R324-S326 PolarHBondContact O-N 3.14Å; S326-E328 PolarHBondContact O-N 3.12Å; S326-E328 PolarHBondContact OG-N 2.97Å; S326-L329 PolarHBondContact O-N 2.87Å; S326-L329 PolarHBondContact OG-N 3.35Å; S326-V330 WeakPolarHBondContact O-CG2 3.36Å; S326-V330 PolarHBondContact O-N 2.93Å; S326-V330 VanDerWaalsContact O-N 3.12Å
327G92Very high91.6Very high43 Ų4340 Ų4044%0.44321%0.209SC..Hα-helixtrans-61.3-33.4174.300000112.8V330 N331G327-V330 PolarHBondContact O-N 2.83Å; G327-N331 WeakPolarHBondContact O-CB 3.45Å; G327-N331 PolarHBondContact O-N 3.11Å
328E94.7Very high92Very high100 Ų10042.7 Ų42.747%0.46723%0.228SC..Hα-helixtrans-68.2-39.2176.4-171.1-175.7177.400111.9Y200 S326 N331 S332Y200-E328 HydrophobicContact CE2-CG 4.14Å; S326-E328 PolarHBondContact O-N 3.12Å; S326-E328 PolarHBondContact OG-N 2.97Å; E328-N331 PolarHBondContact O-N 3.43Å; E328-S332 WeakPolarHBondContact O-CB 3.46Å; E328-S332 PolarHBondContact O-N 3.21Å; E328-S332 PolarHBondContact O-OG 3.16Å
329L95.2Very high92.4Very high1 Ų141.4 Ų41.41%0.00522%0.224CC..Hα-helixtrans-65.9-42.1177.4-177.459000111.1E192 M195 S196 L199 V321 S326 S332 Y333E192-L329 HydrophobicContact CB-CD2 4.37Å; E192-L329 HydrophobicContact CG-CD2 4.18Å; M195-L329 HydrophobicContact CB-CD1 3.71Å; M195-L329 HydrophobicContact CE-CD2 4.32Å; S196-L329 WeakPolarHBondContact OG-CA 3.45Å; S196-L329 PolarHBondContact OG-N 3.36Å; L199-L329 HydrophobicContact CD1-CD1 3.71Å; V321-L329 HydrophobicContact CG2-CD1 4.2Å; V321-L329 HydrophobicContact CG2-CD2 4.3Å; V321-L329 HydrophobicContact CG2-CG 3.85Å; S326-L329 PolarHBondContact O-N 2.87Å; S326-L329 PolarHBondContact OG-N 3.35Å; L329-S332 PolarHBondContact O-OG 3.36Å; L329-S332 VanDerWaalsContact O-OG 3.08Å; L329-Y333 WeakPolarHBondContact O-CB 3.49Å; L329-Y333 PolarHBondContact O-N 2.91Å; L329-Y333 VanDerWaalsContact O-N 3.08Å
330V96.1Very high92.8Very high1 Ų139.5 Ų39.51%0.00621%0.211CC..Hα-helixtrans-61.9-46.4173176.70000111.2V321 S326 G327 Y333 N334 I396V321-V330 HydrophobicContact CG1-CB 4.21Å; V321-V330 HydrophobicContact CG1-CG2 3.79Å; S326-V330 WeakPolarHBondContact O-CG2 3.36Å; S326-V330 PolarHBondContact O-N 2.93Å; S326-V330 VanDerWaalsContact O-N 3.12Å; G327-V330 PolarHBondContact O-N 2.83Å; V330-Y333 PolarHBondContact O-N 3.36Å; V330-N334 WeakPolarHBondContact O-CB 3.49Å; V330-N334 PolarHBondContact O-N 3Å; V330-I396 HydrophobicContact CG1-CB 4.3Å; V330-I396 HydrophobicContact CG1-CG2 4.08Å
331N96.6Very high93.3Very high64 Ų6439.4 Ų39.434%0.34221%0.212SC..Hα-helixtrans-63.2-48.2-178.9-17253.7000112.6Y200 G327 E328 Y333 N334 Q335Y200-N331 PolarHBondContact OH-ND2 2.86Å; G327-N331 WeakPolarHBondContact O-CB 3.45Å; G327-N331 PolarHBondContact O-N 3.11Å; E328-N331 PolarHBondContact O-N 3.43Å; N331-Y333 PolarHBondContact O-N 2.85Å; N331-N334 PolarHBondContact O-N 3.13Å; N331-Q335 PolarHBondContact O-N 2.81Å
332S97.7Very high93.8Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-64.5-37.9179.5580000112.5S196 E328 L329 Q335 C336S196-S332 WeakPolarHBondContact CA-OG 3.49Å; E328-S332 WeakPolarHBondContact O-CB 3.46Å; E328-S332 PolarHBondContact O-N 3.21Å; E328-S332 PolarHBondContact O-OG 3.16Å; L329-S332 PolarHBondContact O-OG 3.36Å; L329-S332 VanDerWaalsContact O-OG 3.08Å; S332-Q335 PolarHBondContact O-N 3.29Å; S332-C336 PolarHBondContact O-N 3.38Å
333Y97.9Very high94.2Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-64.2-49.2172.7177.8-92.5000111.6L199 L280 V317 R318 V321 L329 V330 N331 Q335 C336 I337 S394 I396L199-Y333 HydrophobicContact CD2-CD2 4.34Å; L280-Y333 HydrophobicContact CB-CE2 4.3Å; L280-Y333 HydrophobicContact CD2-CD2 4.09Å; L280-Y333 HydrophobicContact CD2-CE2 3.87Å; L280-Y333 PolarHBondContact O-OH 3.48Å; V317-Y333 HydrophobicContact CG1-CD2 4.33Å; R318-Y333 HydrophobicContact CB-CE2 4.35Å; R318-Y333 PolarHBondContact NH1-OH 2.63Å; V321-Y333 HydrophobicContact CB-CG 4.41Å; V321-Y333 HydrophobicContact CG1-CD1 4.12Å; V321-Y333 HydrophobicContact CG1-CG 4.08Å; V321-Y333 HydrophobicContact CG2-CD2 3.97Å; V321-Y333 HydrophobicContact CG2-CG 3.86Å; L329-Y333 WeakPolarHBondContact O-CB 3.49Å; L329-Y333 PolarHBondContact O-N 2.91Å; L329-Y333 VanDerWaalsContact O-N 3.08Å; V330-Y333 PolarHBondContact O-N 3.36Å; N331-Y333 PolarHBondContact O-N 2.85Å; Y333-Q335 PolarHBondContact O-N 3Å; Y333-C336 WeakPolarHBondContact O-CB 3.29Å; Y333-C336 PolarHBondContact O-N 3.25Å; Y333-I337 HydrophobicContact CD1-CG1 4Å; Y333-I337 HydrophobicContact CE1-CD1 4Å; Y333-I337 HydrophobicContact CE1-CG1 3.55Å; Y333-I337 PolarHBondContact O-N 3.04Å; Y333-I337 VanDerWaalsContact O-N 3.08Å; Y333-S394 WeakPolarHBondContact CE1-O 3.37Å; Y333-I396 HydrophobicContact CD1-CD1 3.94Å; Y333-I396 HydrophobicContact CE1-CD1 3.8Å; Y333-I396 HydrophobicContact CE1-CG1 4.3Å
334N97.7Very high94.6Very high21 Ų2133.8 Ų33.811%0.11218%0.182CC..Hα-helixtrans-60.7-32.2177.2-78.6-13.6000112.2V330 N331 I337 S338 L395 I396V330-N334 WeakPolarHBondContact O-CB 3.49Å; V330-N334 PolarHBondContact O-N 3Å; N331-N334 PolarHBondContact O-N 3.13Å; N334-I337 PolarHBondContact O-N 3.06Å; N334-S338 WeakPolarHBondContact O-CB 3.42Å; N334-S338 PolarHBondContact O-N 3.41Å; N334-S338 PolarHBondContact O-OG 2.83Å; N334-S338 VanDerWaalsContact O-OG 3.13Å; N334-L395 HydrophobicContact CB-CD2 4.05Å; N334-I396 PolarHBondContact ND2-O 3.5Å; N334-I396 PolarHBondContact OD1-N 3.48Å
335Q98.4Very high95.7Very high56 Ų5629.6 Ų29.626%0.26217%0.171SC..Hα-helixtrans-62.7-44.3173.4-167.4174.3-18.200111.4A203 N331 S332 Y333 I337 S338 E339A203-Q335 HydrophobicContact CB-CB 4.3Å; A203-Q335 HydrophobicContact CB-CG 3.86Å; N331-Q335 PolarHBondContact O-N 2.81Å; S332-Q335 PolarHBondContact O-N 3.29Å; Y333-Q335 PolarHBondContact O-N 3Å; Q335-I337 VanDerWaalsContact C-N 3.31Å; Q335-I337 PolarHBondContact O-N 3.47Å; Q335-S338 PolarHBondContact O-N 3.06Å; Q335-E339 VanDerWaalsContact O-CG 3.3Å; Q335-E339 WeakPolarHBondContact O-CG 3.22Å; Q335-E339 PolarHBondContact O-N 3.48Å
336C98.7Very high96.9Very high0 Ų027.2 Ų27.20%016%0.155CC..Hα-helixtrans-57.6-45172.7-660000111.7L199 I206 L280 S332 Y333 S338 E339 M340L199-C336 PolarHBondContact O-SG 3.1Å; I206-C336 HydrophobicContact CD1-CB 4.47Å; L280-C336 HydrophobicContact CD1-CB 4.01Å; L280-C336 HydrophobicContact CD2-CB 3.77Å; S332-C336 PolarHBondContact O-N 3.38Å; Y333-C336 WeakPolarHBondContact O-CB 3.29Å; Y333-C336 PolarHBondContact O-N 3.25Å; C336-S338 PolarHBondContact O-N 2.89Å; C336-E339 PolarHBondContact O-N 3.32Å; C336-M340 WeakPolarHBondContact O-CB 3.44Å; C336-M340 VanDerWaalsContact O-CG 3.26Å; C336-M340 WeakPolarHBondContact O-CG 3.46Å; C336-M340 PolarHBondContact O-N 2.65Å
337I98.6Very high97.4Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-62.1-42.6178.5-61.4-58.8000111.3L280 I282 Y333 N334 Q335 M340 I341 T391 L395L280-I337 HydrophobicContact CB-CD1 4.22Å; L280-I337 HydrophobicContact CD1-CD1 4.2Å; I282-I337 HydrophobicContact CD1-CD1 4.01Å; I282-I337 HydrophobicContact CG1-CD1 3.99Å; Y333-I337 HydrophobicContact CD1-CG1 4Å; Y333-I337 HydrophobicContact CE1-CD1 4Å; Y333-I337 HydrophobicContact CE1-CG1 3.55Å; Y333-I337 PolarHBondContact O-N 3.04Å; Y333-I337 VanDerWaalsContact O-N 3.08Å; N334-I337 PolarHBondContact O-N 3.06Å; Q335-I337 VanDerWaalsContact C-N 3.31Å; Q335-I337 PolarHBondContact O-N 3.47Å; I337-M340 CarbonylContact O-C 3.4Å; I337-M340 WeakPolarHBondContact O-CB 3.44Å; I337-M340 PolarHBondContact O-N 2.96Å; I337-I341 HydrophobicContact CG2-CD1 3.93Å; I337-I341 HydrophobicContact CG2-CG1 4.41Å; I337-I341 VanDerWaalsContact O-CG1 3.26Å; I337-I341 WeakPolarHBondContact O-CG1 3.41Å; I337-I341 PolarHBondContact O-N 3.36Å; I337-T391 HydrophobicContact CG2-CG2 4.12Å; I337-T391 VanDerWaalsContact CG2-O 3.3Å; I337-T391 WeakPolarHBondContact CG2-O 3.47Å; I337-L395 HydrophobicContact CB-CD2 3.9Å; I337-L395 HydrophobicContact CG2-CD2 3.61Å; I337-L395 HydrophobicContact CG2-CG 3.7Å
338S98.6Very high97.5Very high60 Ų6026.7 Ų26.742%0.4214%0.138SC..Hα-helixtrans-61.5-43.8175.8-68.10000112.6N334 Q335 C336 M340 I341 Q342N334-S338 WeakPolarHBondContact O-CB 3.42Å; N334-S338 PolarHBondContact O-N 3.41Å; N334-S338 PolarHBondContact O-OG 2.83Å; N334-S338 VanDerWaalsContact O-OG 3.13Å; Q335-S338 PolarHBondContact O-N 3.06Å; C336-S338 PolarHBondContact O-N 2.89Å; S338-M340 VanDerWaalsContact C-N 3.31Å; S338-M340 PolarHBondContact O-N 3.01Å; S338-I341 PolarHBondContact O-N 3.08Å; S338-Q342 PolarHBondContact O-N 3.41Å
339E98.7Very high97.6Very high16 Ų1625.5 Ų25.58%0.07514%0.135CC..Hα-helixtrans-63.4-39175.7-61.1-68.8172.400111.3A203 I206 R207 R210 Q335 C336 Q342 F343A203-E339 HydrophobicContact CB-CG 4.1Å; I206-E339 HydrophobicContact CB-CB 4.02Å; I206-E339 HydrophobicContact CG2-CB 3.67Å; R207-E339 IonicContact CZ-OE1 2.89Å; R207-E339 IonicContact NE-OE1 3.64Å; R207-E339 PolarHBondContact NE-OE1 3.19Å; R207-E339 IonicContact NE-OE2 2.76Å; R207-E339 IonicContact NH2-OE1 3.56Å; R207-E339 PolarHBondContact NH2-OE1 2.98Å; R210-E339 IonicContact CZ-OE2 3.1Å; R210-E339 IonicContact NH1-OE2 3.63Å; R210-E339 PolarHBondContact NH1-OE2 3.45Å; R210-E339 IonicContact NH2-OE2 3.2Å; Q335-E339 VanDerWaalsContact O-CG 3.3Å; Q335-E339 WeakPolarHBondContact O-CG 3.22Å; Q335-E339 PolarHBondContact O-N 3.48Å; C336-E339 PolarHBondContact O-N 3.32Å; E339-Q342 PolarHBondContact O-N 3.27Å; E339-F343 WeakPolarHBondContact O-CB 3.42Å; E339-F343 PolarHBondContact O-N 2.86Å
340M98.6Very high97.7Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-67-35.4174.8-75-61-7200113.3I206 L273 L276 L280 I282 C336 I337 S338 R344 T391I206-M340 HydrophobicContact CD1-CG 4.02Å; I206-M340 HydrophobicContact CD1-SD 3.99Å; I206-M340 HydrophobicContact CG1-SD 4.38Å; I206-M340 HydrophobicContact CG2-CG 4.41Å; I206-M340 HydrophobicContact CG2-SD 3.92Å; L273-M340 HydrophobicContact CD2-CE 3.99Å; L273-M340 HydrophobicContact CD2-SD 4.48Å; L276-M340 HydrophobicContact CB-CE 3.63Å; L276-M340 HydrophobicContact CB-SD 3.88Å; L276-M340 HydrophobicContact CD1-CE 4.08Å; L276-M340 HydrophobicContact CD1-SD 3.56Å; L276-M340 VanDerWaalsContact CD1-SD 3.56Å; L276-M340 HydrophobicContact CG-SD 4.31Å; L280-M340 HydrophobicContact CD1-CG 3.85Å; I282-M340 HydrophobicContact CD1-CE 4.43Å; C336-M340 WeakPolarHBondContact O-CB 3.44Å; C336-M340 VanDerWaalsContact O-CG 3.26Å; C336-M340 WeakPolarHBondContact O-CG 3.46Å; C336-M340 PolarHBondContact O-N 2.65Å; I337-M340 CarbonylContact O-C 3.4Å; I337-M340 WeakPolarHBondContact O-CB 3.44Å; I337-M340 PolarHBondContact O-N 2.96Å; S338-M340 VanDerWaalsContact C-N 3.31Å; S338-M340 PolarHBondContact O-N 3.01Å; M340-R344 VanDerWaalsContact CE-NH1 3.29Å; M340-R344 WeakPolarHBondContact O-CG 3.48Å; M340-R344 PolarHBondContact O-N 3.5Å; M340-R344 PolarHBondContact O-NH1 3.22Å; M340-R344 VanDerWaalsContact O-NH1 3.17Å; M340-T391 HydrophobicContact CB-CG2 3.87Å
341I98.7Very high97.5Very high22 Ų2226.5 Ų26.511%0.11314%0.141CC..Hα-helixtrans-64.3-50.8172.7-69.9160.1000108.8I337 S338 F343 R344 S345 I388 T391 K392 L395I337-I341 HydrophobicContact CG2-CD1 3.93Å; I337-I341 HydrophobicContact CG2-CG1 4.41Å; I337-I341 VanDerWaalsContact O-CG1 3.26Å; I337-I341 WeakPolarHBondContact O-CG1 3.41Å; I337-I341 PolarHBondContact O-N 3.36Å; S338-I341 PolarHBondContact O-N 3.08Å; I341-F343 PolarHBondContact O-N 2.9Å; I341-R344 PolarHBondContact O-N 3.22Å; I341-S345 PolarHBondContact O-N 3.15Å; I341-S345 PolarHBondContact O-OG 3.4Å; I341-I388 HydrophobicContact CG2-CG2 4.47Å; I341-T391 HydrophobicContact CG1-CG2 3.65Å; I341-K392 HydrophobicContact CD1-CB 4.41Å; I341-K392 HydrophobicContact CD1-CG 3.71Å; I341-K392 HydrophobicContact CG1-CG 3.96Å; I341-K392 HydrophobicContact CG2-CG 4.31Å; I341-L395 HydrophobicContact CD1-CD1 4.06Å; I341-L395 HydrophobicContact CD1-CG 4.35Å
342Q98.5Very high97.3Very high84 Ų8427.4 Ų27.439%0.39314%0.142SC..Hα-helixtrans-64-40.2-177.7-168.562.550.900111.7S338 E339 R344 S345 D346S338-Q342 PolarHBondContact O-N 3.41Å; E339-Q342 PolarHBondContact O-N 3.27Å; Q342-R344 VanDerWaalsContact C-N 3.32Å; Q342-R344 PolarHBondContact O-N 2.74Å; Q342-S345 PolarHBondContact O-N 2.85Å; Q342-D346 PolarHBondContact NE2-OD1 3.47Å; Q342-D346 WeakPolarHBondContact O-CB 3.3Å; Q342-D346 VanDerWaalsContact O-CG 3.3Å; Q342-D346 PolarHBondContact O-N 3Å
343F98.5Very high97.2Very high11 Ų1130.5 Ų30.55%0.04816%0.156CC..Hα-helixtrans-55.6-47.8173.6-174-74000111.3V169 M209 R210 M213 L273 E339 I341 D346 H347V169-F343 HydrophobicContact CG1-CE2 4.4Å; V169-F343 HydrophobicContact CG1-CZ 4.38Å; M209-F343 HydrophobicContact CB-CD2 4.47Å; M209-F343 HydrophobicContact CB-CE2 4.08Å; M209-F343 HydrophobicContact CE-CE2 4.27Å; R210-F343 HydrophobicContact CB-CD2 4.04Å; R210-F343 HydrophobicContact CG-CD2 4.36Å; M213-F343 HydrophobicContact CE-CD1 4.45Å; M213-F343 HydrophobicContact CE-CD2 4.41Å; M213-F343 HydrophobicContact CE-CE1 4.35Å; M213-F343 HydrophobicContact CE-CE2 4.35Å; M213-F343 HydrophobicContact CE-CG 4.46Å; M213-F343 HydrophobicContact CE-CZ 4.31Å; M213-F343 WeakPolarHBondContact CE-O 3.21Å; M213-F343 HydrophobicContact SD-CE1 3.88Å; M213-F343 HydrophobicContact SD-CE2 4.17Å; M213-F343 HydrophobicContact SD-CZ 3.68Å; L273-F343 HydrophobicContact CD1-CD1 4.1Å; L273-F343 HydrophobicContact CD1-CE1 3.77Å; L273-F343 HydrophobicContact CD2-CD1 3.87Å; L273-F343 HydrophobicContact CD2-CE1 3.82Å; L273-F343 HydrophobicContact CD2-CG 4.41Å; L273-F343 HydrophobicContact CD2-CZ 4.25Å; L273-F343 HydrophobicContact CG-CE1 4.19Å; E339-F343 WeakPolarHBondContact O-CB 3.42Å; E339-F343 PolarHBondContact O-N 2.86Å; I341-F343 PolarHBondContact O-N 2.9Å; F343-D346 PolarHBondContact O-N 3.05Å; F343-H347 PolarHBondContact O-N 3.21Å
344R98Very high97Very high11 Ų1131.1 Ų31.14%0.04216%0.159CC..Hα-helixtrans-68-36.6180-70.8-178.2177.284.8-2112.6D277 M340 I341 Q342 H347 A348 I388 T391D277-R344 IonicContact OD1-CZ 3.7Å; D277-R344 IonicContact OD1-NH2 2.91Å; D277-R344 PolarHBondContact OD1-NH2 3.16Å; D277-R344 IonicContact OD2-NH2 2.62Å; D277-R344 PolarHBondContact OD2-NH2 2.61Å; D277-R344 VanDerWaalsContact OD2-NH2 3.1Å; M340-R344 VanDerWaalsContact CE-NH1 3.29Å; M340-R344 WeakPolarHBondContact O-CG 3.48Å; M340-R344 PolarHBondContact O-N 3.5Å; M340-R344 PolarHBondContact O-NH1 3.22Å; M340-R344 VanDerWaalsContact O-NH1 3.17Å; I341-R344 PolarHBondContact O-N 3.22Å; Q342-R344 VanDerWaalsContact C-N 3.32Å; Q342-R344 PolarHBondContact O-N 2.74Å; R344-H347 PolarHBondContact O-N 3.04Å; R344-A348 WeakPolarHBondContact O-CB 3.47Å; R344-A348 PolarHBondContact O-N 3.18Å; R344-I388 HydrophobicContact CB-CD1 4.36Å; R344-I388 HydrophobicContact CB-CG1 3.54Å; R344-T391 PolarHBondContact NE-OG1 3.22Å; R344-T391 PolarHBondContact NH1-OG1 3.31Å
345S98Very high96.6Very high29 Ų2930.9 Ų30.920%0.20316%0.157CC..Hα-helixtrans-62.9-48.5173.9-72.70000111.6I341 Q342 H347 A348 D349I341-S345 PolarHBondContact O-N 3.15Å; I341-S345 PolarHBondContact O-OG 3.4Å; Q342-S345 PolarHBondContact O-N 2.85Å; S345-H347 VanDerWaalsContact C-N 3.3Å; S345-H347 PolarHBondContact O-N 2.85Å; S345-A348 WeakPolarHBondContact O-CB 3.21Å; S345-A348 PolarHBondContact O-N 2.96Å; S345-D349 PolarHBondContact O-N 2.88Å
346D97.9Very high96.2Very high21 Ų2131.2 Ų31.211%0.11216%0.163CC..Hα-helixtrans-59.3-41.6176.8-74.310.8000111.7R210 M213 Q214 Q342 F343 D349 L350R210-D346 WeakPolarHBondContact CD-OD2 3.24Å; R210-D346 HydrophobicContact CG-CB 4.39Å; R210-D346 WeakPolarHBondContact CG-OD2 3.3Å; R210-D346 IonicContact NE-OD2 3.82Å; M213-D346 HydrophobicContact CE-CB 3.36Å; Q214-D346 VanDerWaalsContact NE2-CG 3.28Å; Q214-D346 PolarHBondContact NE2-OD2 3.06Å; Q342-D346 PolarHBondContact NE2-OD1 3.47Å; Q342-D346 WeakPolarHBondContact O-CB 3.3Å; Q342-D346 VanDerWaalsContact O-CG 3.3Å; Q342-D346 PolarHBondContact O-N 3Å; F343-D346 PolarHBondContact O-N 3.05Å; D346-D349 PolarHBondContact O-N 3.12Å; D346-L350 PolarHBondContact O-N 3.39Å
347H96.1Very high95.7Very high60 Ų6036.3 Ų36.328%0.27819%0.187SC..Hα-helixtrans-64.9-41174.1175.7-96.3000112M213 F343 R344 S345 D349 L350 V351 L384M213-H347 HydrophobicContact CE-CB 4.2Å; M213-H347 HydrophobicContact SD-CB 3.95Å; F343-H347 PolarHBondContact O-N 3.21Å; R344-H347 PolarHBondContact O-N 3.04Å; S345-H347 VanDerWaalsContact C-N 3.3Å; S345-H347 PolarHBondContact O-N 2.85Å; H347-D349 VanDerWaalsContact C-N 3.28Å; H347-D349 PolarHBondContact O-N 2.91Å; H347-L350 WeakPolarHBondContact O-CB 3.32Å; H347-L350 PolarHBondContact O-N 3.47Å; H347-V351 WeakPolarHBondContact O-CG2 3.4Å; H347-V351 PolarHBondContact O-N 3.22Å; H347-L384 WeakPolarHBondContact ND1-CD2 3.19Å
348A95.4Very high95.3Very high3 Ų336.8 Ų36.83%0.02519%0.19CC..Hα-helixtrans-62.7-36.7175.900000112R344 S345 V351 K352 M381 L384 I388R344-A348 WeakPolarHBondContact O-CB 3.47Å; R344-A348 PolarHBondContact O-N 3.18Å; S345-A348 WeakPolarHBondContact O-CB 3.21Å; S345-A348 PolarHBondContact O-N 2.96Å; A348-V351 PolarHBondContact O-N 2.89Å; A348-K352 WeakPolarHBondContact O-CG 3.44Å; A348-K352 PolarHBondContact O-N 3.24Å; A348-M381 HydrophobicContact CB-CE 4.37Å; A348-L384 HydrophobicContact CB-CB 4.4Å; A348-L384 HydrophobicContact CB-CD1 4.23Å; A348-I388 HydrophobicContact CB-CD1 4.18Å
349D96.1Very high94.6Very high75 Ų7538.7 Ų38.740%0.40119%0.188SC..Hα-helixtrans-69.7-38.6175.6-67.8-22.3000112.1S345 D346 H347 V351 K352 Q353S345-D349 PolarHBondContact O-N 2.88Å; D346-D349 PolarHBondContact O-N 3.12Å; H347-D349 VanDerWaalsContact C-N 3.28Å; H347-D349 PolarHBondContact O-N 2.91Å; D349-V351 PolarHBondContact O-N 3.14Å; D349-K352 PolarHBondContact O-N 2.85Å; D349-K352 IonicContact OD1-NZ 2.62Å; D349-K352 PolarHBondContact OD1-NZ 2.99Å; D349-Q353 WeakPolarHBondContact O-CB 3.26Å; D349-Q353 PolarHBondContact O-N 3.23Å
350L96Very high93.8Very high9 Ų942.4 Ų42.45%0.04722%0.216CC..Hα-helixtrans-58.2-46.6168.3-75.1170.6000111.3M213 L216 K217 D346 H347 K352 Q353 Y354M213-L350 HydrophobicContact CE-CD1 4.47Å; M213-L350 HydrophobicContact CG-CD1 3.72Å; M213-L350 HydrophobicContact SD-CD1 4.09Å; L216-L350 HydrophobicContact CD1-CD1 4.01Å; K217-L350 HydrophobicContact CD-CD2 4.22Å; K217-L350 VanDerWaalsContact CE-CD2 3.41Å; K217-L350 HydrophobicContact CG-CD2 3.76Å; D346-L350 PolarHBondContact O-N 3.39Å; H347-L350 WeakPolarHBondContact O-CB 3.32Å; H347-L350 PolarHBondContact O-N 3.47Å; L350-K352 VanDerWaalsContact C-N 3.29Å; L350-K352 PolarHBondContact O-N 3.09Å; L350-Q353 PolarHBondContact O-N 3.12Å; L350-Y354 HydrophobicContact CD2-CD2 4.06Å; L350-Y354 HydrophobicContact CD2-CE2 3.77Å; L350-Y354 WeakPolarHBondContact O-CB 3.22Å; L350-Y354 VanDerWaalsContact O-CD2 3.3Å; L350-Y354 WeakPolarHBondContact O-CD2 3.42Å; L350-Y354 PolarHBondContact O-N 3.2Å
351V92.9Very high92.9Very high14 Ų1448.5 Ų48.59%0.08525%0.247CC..Hα-helixtrans-61.8-37.9178.4167.70000111.8H347 A348 D349 I355 V356 L380 M381 L384H347-V351 WeakPolarHBondContact O-CG2 3.4Å; H347-V351 PolarHBondContact O-N 3.22Å; A348-V351 PolarHBondContact O-N 2.89Å; D349-V351 PolarHBondContact O-N 3.14Å; V351-I355 HydrophobicContact CG1-CD1 4.32Å; V351-I355 WeakPolarHBondContact O-CA 3.29Å; V351-I355 VanDerWaalsContact O-CB 3.3Å; V351-I355 WeakPolarHBondContact O-CB 3.35Å; V351-I355 PolarHBondContact O-N 3.23Å; V351-V356 PolarHBondContact O-N 3.31Å; V351-L380 HydrophobicContact CG1-CB 4.35Å; V351-L380 HydrophobicContact CG1-CD2 3.78Å; V351-M381 HydrophobicContact CG1-SD 3.96Å; V351-L384 HydrophobicContact CB-CD1 3.93Å; V351-L384 HydrophobicContact CG1-CD1 3.94Å; V351-L384 HydrophobicContact CG2-CD1 3.9Å
352K92.8Very high91.7Very high83 Ų8349.5 Ų49.536%0.36125%0.254SS..Iπ-helixtrans-60.6-52.3173.3-70.2170.1-163.1157.10111A348 D349 L350 Y354 V356 E357 M381A348-K352 WeakPolarHBondContact O-CG 3.44Å; A348-K352 PolarHBondContact O-N 3.24Å; D349-K352 PolarHBondContact O-N 2.85Å; D349-K352 IonicContact OD1-NZ 2.62Å; D349-K352 PolarHBondContact OD1-NZ 2.99Å; L350-K352 VanDerWaalsContact C-N 3.29Å; L350-K352 PolarHBondContact O-N 3.09Å; K352-Y354 PolarHBondContact O-N 3.23Å; K352-V356 WeakPolarHBondContact O-CB 3.46Å; K352-V356 PolarHBondContact O-N 3.25Å; K352-V356 VanDerWaalsContact O-N 3.07Å; K352-E357 PolarHBondContact O-N 3.21Å; K352-M381 HydrophobicContact CD-CE 4.4Å; K352-M381 HydrophobicContact CG-CE 3.99Å; K352-M381 HydrophobicContact CG-SD 4.12Å
353Q94.3Very high89.6Confident66 Ų6656.1 Ų56.131%0.30828%0.275SS..Iπ-helixtrans-64.9-38.1-176.6-173.6-179.49.800113.3D349 L350 P358D349-Q353 WeakPolarHBondContact O-CB 3.26Å; D349-Q353 PolarHBondContact O-N 3.23Å; L350-Q353 PolarHBondContact O-N 3.12Å; Q353-P358 WeakPolarHBondContact O-CD 3.24Å; Q353-P358 WeakPolarHBondContact O-CG 3.5Å
354Y93.9Very high87.1Confident13 Ų1364.7 Ų64.75%0.05132%0.315CS..Iπ-helixtrans-98.8-13.1-172.1-77.2-88.4000114.2K217 L220 P222 F225 L350 K352K217-Y354 WeakPolarHBondContact CA-OH 3.27Å; K217-Y354 HydrophobicContact CG-CE2 4.38Å; L220-Y354 HydrophobicContact CB-CE1 3.87Å; L220-Y354 HydrophobicContact CD2-CD1 3.79Å; L220-Y354 HydrophobicContact CD2-CE1 3.56Å; L220-Y354 HydrophobicContact CG-CD1 3.99Å; L220-Y354 HydrophobicContact CG-CE1 3.46Å; L220-Y354 VanDerWaalsContact CG-CE1 3.46Å; L220-Y354 VanDerWaalsContact O-CE1 3.23Å; L220-Y354 WeakPolarHBondContact O-CE1 3.39Å; L220-Y354 PolarHBondContact O-OH 3.37Å; P222-Y354 HydrophobicContact CB-CD1 3.99Å; P222-Y354 HydrophobicContact CB-CE1 4.08Å; P222-Y354 HydrophobicContact CG-CD1 4.08Å; P222-Y354 HydrophobicContact CG-CE1 3.68Å; F225-Y354 HydrophobicContact CB-CD1 4.13Å; F225-Y354 HydrophobicContact CD1-CD1 4.14Å; F225-Y354 HydrophobicContact CD1-CG 4.47Å; F225-Y354 WeakPolarHBondContact CD1-O 3.34Å; F225-Y354 HydrophobicContact CG-CD1 4.27Å; L350-Y354 HydrophobicContact CD2-CD2 4.06Å; L350-Y354 HydrophobicContact CD2-CE2 3.77Å; L350-Y354 WeakPolarHBondContact O-CB 3.22Å; L350-Y354 VanDerWaalsContact O-CD2 3.3Å; L350-Y354 WeakPolarHBondContact O-CD2 3.42Å; L350-Y354 PolarHBondContact O-N 3.2Å; K352-Y354 PolarHBondContact O-N 3.23Å
355I90.3Very high84.8Confident16 Ų1667.8 Ų67.88%0.08234%0.339CS..Iπ-helixtrans-129.9-53.8-177.4-55.6-180000111.5F225 F226 V351 R359 L380F225-I355 HydrophobicContact CE1-CD1 4.26Å; F225-I355 HydrophobicContact CE1-CG1 3.91Å; F226-I355 HydrophobicContact CD2-CG2 4.29Å; F226-I355 HydrophobicContact CE2-CG2 4.1Å; V351-I355 HydrophobicContact CG1-CD1 4.32Å; V351-I355 WeakPolarHBondContact O-CA 3.29Å; V351-I355 VanDerWaalsContact O-CB 3.3Å; V351-I355 WeakPolarHBondContact O-CB 3.35Å; V351-I355 PolarHBondContact O-N 3.23Å; I355-R359 WeakPolarHBondContact O-CB 3.26Å; I355-R359 PolarHBondContact O-N 3.45Å; I355-R359 VanDerWaalsContact O-N 3.16Å; I355-L380 HydrophobicContact CD1-CD2 3.6Å; I355-L380 HydrophobicContact CG2-CD2 4.22Å
356V88.6Confident82.4Confident63 Ų6375.6 Ų75.638%0.38237%0.372SS..Iπ-helixtrans-70.8-47.8-172.4-1770000111.5V351 K352 R359 S360 M381V351-V356 PolarHBondContact O-N 3.31Å; K352-V356 WeakPolarHBondContact O-CB 3.46Å; K352-V356 PolarHBondContact O-N 3.25Å; K352-V356 VanDerWaalsContact O-N 3.07Å; V356-R359 PolarHBondContact O-N 2.77Å; V356-S360 PolarHBondContact O-N 3.47Å; V356-S360 VanDerWaalsContact O-N 3.11Å; V356-M381 HydrophobicContact CG2-CG 4.14Å; V356-M381 HydrophobicContact CG2-SD 4.19Å
357E89.7Confident80.1Confident106 Ų10680.1 Ų80.150%0.49539%0.393SS..Hα-helixtrans-65.6-53.6179.8-74.8171.4-165.800112.2K352 R359 S360 I361K352-E357 PolarHBondContact O-N 3.21Å; E357-R359 PolarHBondContact O-N 3.29Å; E357-S360 WeakPolarHBondContact O-CB 3.33Å; E357-S360 PolarHBondContact O-N 3.39Å; E357-S360 PolarHBondContact O-OG 3.43Å; E357-I361 WeakPolarHBondContact O-CG1 3.33Å; E357-I361 PolarHBondContact O-N 3.48Å
358P89.5Confident78.3Confident11 Ų1178.8 Ų78.87%0.07139%0.388CS..Hα-helixtrans-55.1-39.5175.4-29.436.4000112.9P222 F226 Q353 S360 I361 V362P222-P358 HydrophobicContact CB-CG 4.11Å; F226-P358 HydrophobicContact CB-CB 3.65Å; F226-P358 HydrophobicContact CB-CG 4.16Å; F226-P358 HydrophobicContact CD1-CB 3.67Å; F226-P358 HydrophobicContact CD2-CB 4.22Å; F226-P358 HydrophobicContact CE1-CB 4.41Å; F226-P358 HydrophobicContact CG-CB 3.57Å; F226-P358 HydrophobicContact CG-CG 4.44Å; Q353-P358 WeakPolarHBondContact O-CD 3.24Å; Q353-P358 WeakPolarHBondContact O-CG 3.5Å; P358-S360 VanDerWaalsContact C-N 3.3Å; P358-S360 PolarHBondContact O-N 3.05Å; P358-I361 PolarHBondContact O-N 3.28Å; P358-V362 WeakPolarHBondContact O-CG2 3.17Å; P358-V362 PolarHBondContact O-N 3.12Å
359R84.7Confident76.6Confident99 Ų9981 Ų8137%0.37440%0.399SS..Hα-helixtrans-61.3-37.1175-177.9177.9174.3-153.4-15.1113F226 I355 V356 E357 I361 G371F226-R359 HydrophobicContact CE1-CB 4.25Å; F226-R359 HydrophobicContact CE2-CB 3.87Å; F226-R359 HydrophobicContact CZ-CB 3.52Å; F226-R359 HydrophobicContact CZ-CG 4.04Å; I355-R359 WeakPolarHBondContact O-CB 3.26Å; I355-R359 PolarHBondContact O-N 3.45Å; I355-R359 VanDerWaalsContact O-N 3.16Å; V356-R359 PolarHBondContact O-N 2.77Å; E357-R359 PolarHBondContact O-N 3.29Å; R359-I361 VanDerWaalsContact C-N 3.27Å; R359-I361 PolarHBondContact O-N 3.19Å; R359-G371 VanDerWaalsContact CD-O 3.24Å; R359-G371 WeakPolarHBondContact CD-O 3.02Å; R359-G371 VanDerWaalsContact CZ-O 3.3Å; R359-G371 PolarHBondContact NE-O 3.21Å; R359-G371 PolarHBondContact NH1-O 2.99Å
360S81.1Confident74.9Confident94 Ų9477.6 Ų77.666%0.65738%0.381SS*.Hα-helixtrans-70.1-26.6178.476.40000112.9V356 E357 P358V356-S360 PolarHBondContact O-N 3.47Å; V356-S360 VanDerWaalsContact O-N 3.11Å; E357-S360 WeakPolarHBondContact O-CB 3.33Å; E357-S360 PolarHBondContact O-N 3.39Å; E357-S360 PolarHBondContact O-OG 3.43Å; P358-S360 VanDerWaalsContact C-N 3.3Å; P358-S360 PolarHBondContact O-N 3.05Å
361I80.2Confident73.3Confident128 Ų12877.1 Ų77.166%0.65638%0.378SS*.Hα-helixtrans-82-39.2-179.6-63.7166.1000111E357 P358 R359 R363E357-I361 WeakPolarHBondContact O-CG1 3.33Å; E357-I361 PolarHBondContact O-N 3.48Å; P358-I361 PolarHBondContact O-N 3.28Å; R359-I361 VanDerWaalsContact C-N 3.27Å; R359-I361 PolarHBondContact O-N 3.19Å; I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 2.85Å
362V73.4Confident72Confident43 Ų4381 Ų8126%0.26140%0.395SS..SBendtrans-69.290.4172.2-178.60000107.6F226 N227 P358F226-V362 HydrophobicContact CE1-CG2 4.2Å; N227-V362 WeakPolarHBondContact OD1-CG2 3.49Å; P358-V362 WeakPolarHBondContact O-CG2 3.17Å; P358-V362 PolarHBondContact O-N 3.12Å
363R54.3Low70.9Confident223 Ų22378.6 Ų78.684%0.84239%0.388SS*.  trans-43.9147.7173.7-70.3-176.4174.9-174-1.4109.8I361 S365I361-R363 VanDerWaalsContact C-N 3.28Å; I361-R363 PolarHBondContact O-N 2.85Å; R363-S365 PolarHBondContact O-N 3.17Å
364Q46.5Very low69.9Low191 Ų19175.8 Ų75.889%0.89338%0.377SS*.  trans-50.859176.7-61.4170.3-13.600114.3E366Q364-E366 PolarHBondContact O-N 2.91Å
365S49.1Very low69Low77 Ų7776.1 Ų76.154%0.53838%0.38SS..  trans-57.3126.8147.257.20000104.6R363 Q367 N368R363-S365 PolarHBondContact O-N 3.17Å; S365-Q367 PolarHBondContact O-N 3.25Å; S365-N368 PolarHBondContact O-N 2.88Å
366E47.3Very low68.1Low192 Ų19275.8 Ų75.890%0.89738%0.38SS*.THydrogen-bonded Turntrans-61.41.6-165.1-65.5-179.3145.200114.4Q364Q364-E366 PolarHBondContact O-N 2.91Å
367Q49.9Very low67.1Low116 Ų11674.2 Ų74.254%0.54238%0.377SS..THydrogen-bonded Turntrans-123.731-170.7-62.4-178.2-19.100113.9D90 S365 L369D90-Q367 PolarHBondContact OD1-OE1 3.39Å; S365-Q367 PolarHBondContact O-N 3.25Å; Q367-L369 VanDerWaalsContact C-N 3.28Å; Q367-L369 PolarHBondContact O-N 3.4Å
368N57.3Low66.1Low33 Ų3370.1 Ų70.118%0.17636%0.36CS..  trans-9258.6168.9-158.8-18.9000110.9S365 G371S365-N368 PolarHBondContact O-N 2.88Å; N368-G371 PolarHBondContact OD1-N 3.13Å
369L60.7Low65.4Low48 Ų4873.6 Ų73.625%0.25138%0.382SS..  trans-75.3-27.7-174.7-65.3167.7000111.5E89 N239 V240 Q367 G371 Q372E89-L369 PolarHBondContact OE1-N 3.3Å; E89-L369 VanDerWaalsContact OE2-CB 3.27Å; E89-L369 WeakPolarHBondContact OE2-CB 3.09Å; E89-L369 PolarHBondContact OE2-N 3.04Å; N239-L369 HydrophobicContact CB-CB 4.2Å; N239-L369 HydrophobicContact CB-CD1 4.05Å; N239-L369 HydrophobicContact CB-CD2 4.1Å; N239-L369 HydrophobicContact CB-CG 4.36Å; V240-L369 HydrophobicContact CG1-CB 4.07Å; V240-L369 HydrophobicContact CG1-CD1 3.63Å; V240-L369 HydrophobicContact CG1-CG 4.43Å; Q367-L369 VanDerWaalsContact C-N 3.28Å; Q367-L369 PolarHBondContact O-N 3.4Å; L369-G371 VanDerWaalsContact C-N 3.28Å; L369-G371 PolarHBondContact O-N 3.19Å; L369-Q372 PolarHBondContact O-N 3.44Å
370L60.8Low65.2Low4 Ų470.2 Ų70.22%0.02137%0.372CS..G310 helixtrans-68.4-24.8177.3-69.8176000113.2W85 E89 R230 P231 Q238 Q372W85-L370 HydrophobicContact CE3-CD1 4.39Å; W85-L370 HydrophobicContact CH2-CD1 4.03Å; W85-L370 HydrophobicContact CH2-CD2 3.68Å; W85-L370 HydrophobicContact CH2-CG 4.29Å; W85-L370 HydrophobicContact CZ2-CD2 4.27Å; W85-L370 HydrophobicContact CZ3-CD1 3.78Å; W85-L370 HydrophobicContact CZ3-CD2 4.28Å; W85-L370 HydrophobicContact CZ3-CG 4.42Å; E89-L370 HydrophobicContact CG-CD1 3.67Å; E89-L370 HydrophobicContact CG-CG 3.89Å; E89-L370 WeakPolarHBondContact OE1-CB 3.41Å; E89-L370 WeakPolarHBondContact OE1-CD1 3.47Å; E89-L370 WeakPolarHBondContact OE1-CG 3.38Å; E89-L370 PolarHBondContact OE1-N 2.87Å; R230-L370 VanDerWaalsContact CZ-O 3.26Å; R230-L370 PolarHBondContact NH1-O 2.83Å; R230-L370 PolarHBondContact NH2-O 2.9Å; P231-L370 HydrophobicContact CB-CD1 3.97Å; P231-L370 HydrophobicContact CG-CD1 4.22Å; Q238-L370 HydrophobicContact CB-CD2 3.94Å; Q238-L370 HydrophobicContact CG-CD2 3.57Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 3.16Å
371G62Low65.5Low0 Ų067.9 Ų67.90%035%0.351CS..G310 helixtrans-68.5-17.9179.600000115.1R359 N368 L369R359-G371 VanDerWaalsContact CD-O 3.24Å; R359-G371 WeakPolarHBondContact CD-O 3.02Å; R359-G371 VanDerWaalsContact CZ-O 3.3Å; R359-G371 PolarHBondContact NE-O 3.21Å; R359-G371 PolarHBondContact NH1-O 2.99Å; N368-G371 PolarHBondContact OD1-N 3.13Å; L369-G371 VanDerWaalsContact C-N 3.28Å; L369-G371 PolarHBondContact O-N 3.19Å
372Q64.9Low65.9Low94 Ų9465.8 Ų65.844%0.43934%0.344SS..G310 helixtrans-77.1-32.5-169.5-65.5-174.23.400114.6L369 L370L369-Q372 PolarHBondContact O-N 3.44Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 3.16Å
373T71.1Confident66.7Low34 Ų3465 Ų6521%0.20934%0.337CS..SBendtrans-129162-176.565.90000110.4R230 Q238 S378R230-T373 PolarHBondContact NH2-O 2.79Å; Q238-T373 PolarHBondContact NE2-OG1 3.36Å; Q238-T373 PolarHBondContact OE1-OG1 3.45Å; T373-S378 CarbonylContact C-O 3.59Å; T373-S378 WeakPolarHBondContact CA-O 3.43Å
374G72Confident68.6Low7 Ų755.1 Ų55.17%0.07230%0.301CS..  trans-58.8161.4168.300000109.9Q238 G376 G377 S378Q238-G374 PolarHBondContact NE2-O 2.87Å; G374-G376 PolarHBondContact O-N 3.37Å; G374-G376 VanDerWaalsContact O-N 3.09Å; G374-G377 WeakPolarHBondContact O-CA 3.29Å; G374-G377 PolarHBondContact O-N 2.88Å; G374-S378 PolarHBondContact N-O 2.69Å
375T75.9Confident70.9Confident20 Ų2049.9 Ų49.912%0.12328%0.279CS..THydrogen-bonded Turntrans-55-30.1175.247.10000112.4R230 L233 G235 G264 G265R230-T375 HydrophobicContact CG-CG2 4.07Å; L233-T375 HydrophobicContact CB-CG2 3.8Å; G235-T375 PolarHBondContact N-O 2.97Å; G264-T375 VanDerWaalsContact CA-O 3.32Å; G264-T375 WeakPolarHBondContact CA-O 3.39Å; G264-T375 PolarHBondContact N-O 2.71Å; G265-T375 WeakPolarHBondContact O-CB 3.49Å; G265-T375 PolarHBondContact O-OG1 3.06Å
376G70.3Confident73.2Confident8 Ų849.6 Ų49.68%0.08227%0.268CS..THydrogen-bonded Turntrans-83-6171.900000116.2G374G374-G376 PolarHBondContact O-N 3.37Å; G374-G376 VanDerWaalsContact O-N 3.09Å
377G68.1Low75.5Confident30 Ų3041 Ų4131%0.30923%0.228SC..SBendtrans100.24.3175.100000117.2G374G374-G377 WeakPolarHBondContact O-CA 3.29Å; G374-G377 PolarHBondContact O-N 2.88Å
378S68.4Low77.8Confident20 Ų2036 Ų3614%0.1421%0.206CC..SBendtrans-85.8152.7-179.660.80000113.2T373 G374 L380T373-S378 CarbonylContact C-O 3.59Å; T373-S378 WeakPolarHBondContact CA-O 3.43Å; G374-S378 PolarHBondContact N-O 2.69Å; S378-L380 PolarHBondContact O-N 2.98Å; S378-L380 VanDerWaalsContact O-N 3.1Å
379P74.7Confident79.8Confident84 Ų8437.3 Ų37.355%0.54522%0.217SC..  trans-67.3104.8167-15.629.8000109.9M381 V382 F383P379-M381 PolarHBondContact O-N 2.95Å; P379-V382 HydrophobicContact CB-CB 4.35Å; P379-V382 PolarHBondContact O-N 2.79Å; P379-F383 WeakPolarHBondContact O-CB 3.32Å; P379-F383 PolarHBondContact O-N 3.39Å
380L80.9Confident81.6Confident29 Ų2935.3 Ų35.315%0.15221%0.207CC..Hα-helixtrans-53.2-62.5-162.7-69.6101.6000113.8V351 I355 S378 V382 F383 L384V351-L380 HydrophobicContact CG1-CB 4.35Å; V351-L380 HydrophobicContact CG1-CD2 3.78Å; I355-L380 HydrophobicContact CD1-CD2 3.6Å; I355-L380 HydrophobicContact CG2-CD2 4.22Å; S378-L380 PolarHBondContact O-N 2.98Å; S378-L380 VanDerWaalsContact O-N 3.1Å; L380-V382 PolarHBondContact O-N 3.07Å; L380-F383 PolarHBondContact O-N 2.9Å; L380-L384 WeakPolarHBondContact O-CG 3.44Å; L380-L384 PolarHBondContact O-N 3.36Å
381M86.9Confident83.3Confident45 Ų4535.1 Ų35.122%0.22221%0.206CC..Hα-helixtrans-68.1-39.3-171.5-66.2-51.1-56.900112.3A348 V351 K352 V356 P379 F383 L384 D385A348-M381 HydrophobicContact CB-CE 4.37Å; V351-M381 HydrophobicContact CG1-SD 3.96Å; K352-M381 HydrophobicContact CD-CE 4.4Å; K352-M381 HydrophobicContact CG-CE 3.99Å; K352-M381 HydrophobicContact CG-SD 4.12Å; V356-M381 HydrophobicContact CG2-CG 4.14Å; V356-M381 HydrophobicContact CG2-SD 4.19Å; P379-M381 PolarHBondContact O-N 2.95Å; M381-F383 VanDerWaalsContact C-N 3.3Å; M381-F383 PolarHBondContact O-N 2.85Å; M381-L384 PolarHBondContact O-N 3.29Å; M381-L384 HydrophobicContact SD-CD1 4.26Å; M381-D385 WeakPolarHBondContact O-CB 3.22Å; M381-D385 VanDerWaalsContact O-CG 3.22Å; M381-D385 PolarHBondContact O-N 2.62Å
382V89.5Confident85.1Confident83 Ų8340.6 Ų40.650%0.50323%0.23SC..Hα-helixtrans-60.2-43176.71780000110.9P379 L380 K386P379-V382 HydrophobicContact CB-CB 4.35Å; P379-V382 PolarHBondContact O-N 2.79Å; L380-V382 PolarHBondContact O-N 3.07Å; V382-K386 HydrophobicContact CG1-CD 4.38Å; V382-K386 WeakPolarHBondContact O-CB 3.28Å; V382-K386 VanDerWaalsContact O-CG 3.29Å; V382-K386 WeakPolarHBondContact O-CG 3.12Å; V382-K386 PolarHBondContact O-N 3.42Å; V382-K386 VanDerWaalsContact O-N 3.1Å
383F90.7Very high86.6Confident27 Ų2744 Ų4412%0.11824%0.243CC..Hα-helixtrans-61.9-47.9175.8177-90.7000111.4V288 F291 L292 P379 L380 M381 K386 T387V288-F383 HydrophobicContact CB-CD2 4.47Å; V288-F383 HydrophobicContact CB-CE2 4.1Å; V288-F383 HydrophobicContact CG1-CD2 4.39Å; V288-F383 HydrophobicContact CG1-CE2 3.7Å; V288-F383 HydrophobicContact CG1-CZ 4.03Å; V288-F383 HydrophobicContact CG2-CD2 3.94Å; V288-F383 HydrophobicContact CG2-CE2 4.06Å; F291-F383 HydrophobicContact CB-CE2 4.08Å; F291-F383 HydrophobicContact CD1-CD2 4.14Å; F291-F383 AromaticContact CD1-CE2 3.3Å; F291-F383 HydrophobicContact CD1-CE2 3.3Å; F291-F383 AromaticContact CD1-CZ 3.55Å; F291-F383 HydrophobicContact CD1-CZ 3.55Å; F291-F383 AromaticContact CE1-CE2 3.98Å; F291-F383 HydrophobicContact CE1-CE2 3.98Å; F291-F383 AromaticContact CE1-CZ 3.9Å; F291-F383 HydrophobicContact CE1-CZ 3.9Å; F291-F383 AromaticContact CG-CE2 3.93Å; F291-F383 HydrophobicContact CG-CE2 3.93Å; L292-F383 HydrophobicContact CD2-CZ 3.95Å; L292-F383 HydrophobicContact CG-CZ 4.12Å; P379-F383 WeakPolarHBondContact O-CB 3.32Å; P379-F383 PolarHBondContact O-N 3.39Å; L380-F383 PolarHBondContact O-N 2.9Å; M381-F383 VanDerWaalsContact C-N 3.3Å; M381-F383 PolarHBondContact O-N 2.85Å; F383-K386 PolarHBondContact O-N 3.05Å; F383-T387 HydrophobicContact CD1-CG2 4.27Å; F383-T387 HydrophobicContact CE1-CG2 3.85Å; F383-T387 HydrophobicContact CZ-CG2 4.02Å; F383-T387 WeakPolarHBondContact O-CG2 3.47Å; F383-T387 PolarHBondContact O-N 2.84Å
384L93.4Very high87.8Confident15 Ų1542.6 Ų42.68%0.07924%0.235CC..Hα-helixtrans-64.2-45.8-179.1-65.7175000112.2H347 A348 V351 L380 M381 K386 T387 I388H347-L384 WeakPolarHBondContact ND1-CD2 3.19Å; A348-L384 HydrophobicContact CB-CB 4.4Å; A348-L384 HydrophobicContact CB-CD1 4.23Å; V351-L384 HydrophobicContact CB-CD1 3.93Å; V351-L384 HydrophobicContact CG1-CD1 3.94Å; V351-L384 HydrophobicContact CG2-CD1 3.9Å; L380-L384 WeakPolarHBondContact O-CG 3.44Å; L380-L384 PolarHBondContact O-N 3.36Å; M381-L384 PolarHBondContact O-N 3.29Å; M381-L384 HydrophobicContact SD-CD1 4.26Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 2.82Å; L384-T387 PolarHBondContact O-N 3.17Å; L384-T387 VanDerWaalsContact O-N 3.09Å; L384-T387 PolarHBondContact O-OG1 3.19Å; L384-I388 WeakPolarHBondContact O-CG1 3.29Å; L384-I388 PolarHBondContact O-N 3.34Å
385D95.5Very high89Confident82 Ų8245.8 Ų45.844%0.43925%0.25SC..Hα-helixtrans-58.9-43.9177.4-69.3-23.2000110.9M381 T387 I388 S389M381-D385 WeakPolarHBondContact O-CB 3.22Å; M381-D385 VanDerWaalsContact O-CG 3.22Å; M381-D385 PolarHBondContact O-N 2.62Å; D385-T387 VanDerWaalsContact C-N 3.35Å; D385-T387 PolarHBondContact O-N 3.11Å; D385-I388 PolarHBondContact O-N 3.22Å; D385-S389 WeakPolarHBondContact O-CB 3.49Å; D385-S389 PolarHBondContact O-N 2.98Å; D385-S389 PolarHBondContact O-OG 3.45Å; D385-S389 VanDerWaalsContact O-OG 3.12Å
386K96.5Very high89.8Confident71 Ų7145.3 Ų45.331%0.30925%0.246SC..Hα-helixtrans-61.3-39.7175.1-75.7-179.6177.1-169.10112.8A285 D287 V288 V382 F383 L384 S389 S390A285-K386 HydrophobicContact CB-CD 4.45Å; D287-K386 IonicContact OD1-NZ 3.97Å; D287-K386 PolarHBondContact OD1-NZ 3.39Å; D287-K386 IonicContact OD2-NZ 2.83Å; D287-K386 PolarHBondContact OD2-NZ 2.86Å; V288-K386 HydrophobicContact CG2-CB 3.67Å; V288-K386 HydrophobicContact CG2-CD 3.94Å; V288-K386 HydrophobicContact CG2-CG 4.49Å; V382-K386 HydrophobicContact CG1-CD 4.38Å; V382-K386 WeakPolarHBondContact O-CB 3.28Å; V382-K386 VanDerWaalsContact O-CG 3.29Å; V382-K386 WeakPolarHBondContact O-CG 3.12Å; V382-K386 PolarHBondContact O-N 3.42Å; V382-K386 VanDerWaalsContact O-N 3.1Å; F383-K386 PolarHBondContact O-N 3.05Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 2.82Å; K386-S389 PolarHBondContact O-N 2.68Å; K386-S390 WeakPolarHBondContact O-CB 3.48Å; K386-S390 PolarHBondContact O-N 3.31Å; K386-S390 PolarHBondContact O-OG 3.2Å
387T96.8Very high90.6Very high10 Ų1050.7 Ų50.76%0.06127%0.273CS..Hα-helixtrans-66-40.3176.565.10000111.7V288 F383 L384 D385 T391V288-T387 HydrophobicContact CG1-CG2 3.56Å; F383-T387 HydrophobicContact CD1-CG2 4.27Å; F383-T387 HydrophobicContact CE1-CG2 3.85Å; F383-T387 HydrophobicContact CZ-CG2 4.02Å; F383-T387 WeakPolarHBondContact O-CG2 3.47Å; F383-T387 PolarHBondContact O-N 2.84Å; L384-T387 PolarHBondContact O-N 3.17Å; L384-T387 VanDerWaalsContact O-N 3.09Å; L384-T387 PolarHBondContact O-OG1 3.19Å; D385-T387 VanDerWaalsContact C-N 3.35Å; D385-T387 PolarHBondContact O-N 3.11Å; T387-T391 WeakPolarHBondContact O-CB 3.26Å; T387-T391 PolarHBondContact O-N 2.69Å; T387-T391 PolarHBondContact O-OG1 3.47Å
388I98.1Very high90.9Very high13 Ų1355.1 Ų55.17%0.06729%0.286CS..Hα-helixtrans-63.7-49.2175.1-67.3162.4000110I341 R344 A348 L384 D385 S390 T391 K392I341-I388 HydrophobicContact CG2-CG2 4.47Å; R344-I388 HydrophobicContact CB-CD1 4.36Å; R344-I388 HydrophobicContact CB-CG1 3.54Å; A348-I388 HydrophobicContact CB-CD1 4.18Å; L384-I388 WeakPolarHBondContact O-CG1 3.29Å; L384-I388 PolarHBondContact O-N 3.34Å; D385-I388 PolarHBondContact O-N 3.22Å; I388-S390 VanDerWaalsContact C-N 3.34Å; I388-S390 PolarHBondContact O-N 3.06Å; I388-T391 WeakPolarHBondContact O-CB 3.44Å; I388-T391 PolarHBondContact O-N 3.07Å; I388-K392 HydrophobicContact CG2-CD 4.15Å; I388-K392 HydrophobicContact CG2-CG 4.49Å; I388-K392 WeakPolarHBondContact O-CG 2.89Å; I388-K392 PolarHBondContact O-N 2.77Å
389S98.2Very high90.6Very high59 Ų5960.1 Ų60.141%0.41332%0.318SS..Hα-helixtrans-60.3-41.7178.7-66.20000112.5D385 K386 T391 K392 K393D385-S389 WeakPolarHBondContact O-CB 3.49Å; D385-S389 PolarHBondContact O-N 2.98Å; D385-S389 PolarHBondContact O-OG 3.45Å; D385-S389 VanDerWaalsContact O-OG 3.12Å; K386-S389 PolarHBondContact O-N 2.68Å; S389-T391 VanDerWaalsContact C-N 3.32Å; S389-T391 PolarHBondContact O-N 2.92Å; S389-K392 PolarHBondContact O-N 2.89Å; S389-K393 WeakPolarHBondContact O-CG 3.27Å; S389-K393 PolarHBondContact O-N 3.25Å
390S98.2Very high91.4Very high7 Ų758.9 Ų58.95%0.04931%0.306CS..Hα-helixtrans-63.7-39.7176.7-57.90000111.7E283 A285 K386 I388 K393 S394E283-S390 WeakPolarHBondContact O-CB 3.3Å; A285-S390 PolarHBondContact N-OG 3.13Å; K386-S390 WeakPolarHBondContact O-CB 3.48Å; K386-S390 PolarHBondContact O-N 3.31Å; K386-S390 PolarHBondContact O-OG 3.2Å; I388-S390 VanDerWaalsContact C-N 3.34Å; I388-S390 PolarHBondContact O-N 3.06Å; S390-K393 PolarHBondContact O-N 2.69Å; S390-S394 PolarHBondContact O-N 3.25Å; S390-S394 PolarHBondContact O-OG 3.08Å
391T98.3Very high92Very high0 Ų060.5 Ų60.50%032%0.315CS..Hα-helixtrans-66.2-43.8175-49.40000111.3I282 I337 M340 I341 R344 T387 I388 S389 K393 S394I282-T391 HydrophobicContact CD1-CG2 4.02Å; I337-T391 HydrophobicContact CG2-CG2 4.12Å; I337-T391 VanDerWaalsContact CG2-O 3.3Å; I337-T391 WeakPolarHBondContact CG2-O 3.47Å; M340-T391 HydrophobicContact CB-CG2 3.87Å; I341-T391 HydrophobicContact CG1-CG2 3.65Å; R344-T391 PolarHBondContact NE-OG1 3.22Å; R344-T391 PolarHBondContact NH1-OG1 3.31Å; T387-T391 WeakPolarHBondContact O-CB 3.26Å; T387-T391 PolarHBondContact O-N 2.69Å; T387-T391 PolarHBondContact O-OG1 3.47Å; I388-T391 WeakPolarHBondContact O-CB 3.44Å; I388-T391 PolarHBondContact O-N 3.07Å; S389-T391 VanDerWaalsContact C-N 3.32Å; S389-T391 PolarHBondContact O-N 2.92Å; T391-K393 VanDerWaalsContact C-N 3.32Å; T391-K393 PolarHBondContact O-N 3.32Å; T391-S394 WeakPolarHBondContact O-CA 3.45Å; T391-S394 VanDerWaalsContact O-CB 3.22Å; T391-S394 WeakPolarHBondContact O-CB 3.4Å; T391-S394 PolarHBondContact O-N 2.91Å
392K98.1Very high92.3Very high114 Ų11461.3 Ų61.350%0.49632%0.32SS..Hα-helixtrans-58-41.5175.2-75176.6177.2179.80112.6I341 I388 S389 S394 L395I341-K392 HydrophobicContact CD1-CB 4.41Å; I341-K392 HydrophobicContact CD1-CG 3.71Å; I341-K392 HydrophobicContact CG1-CG 3.96Å; I341-K392 HydrophobicContact CG2-CG 4.31Å; I388-K392 HydrophobicContact CG2-CD 4.15Å; I388-K392 HydrophobicContact CG2-CG 4.49Å; I388-K392 WeakPolarHBondContact O-CG 2.89Å; I388-K392 PolarHBondContact O-N 2.77Å; S389-K392 PolarHBondContact O-N 2.89Å; K392-S394 PolarHBondContact O-N 3.08Å; K392-S394 VanDerWaalsContact O-N 3.15Å; K392-L395 WeakPolarHBondContact O-CB 3.27Å; K392-L395 PolarHBondContact O-N 3.3Å; K392-L395 VanDerWaalsContact O-N 3.13Å
393K97.1Very high92.4Very high167 Ų16760.1 Ų60.173%0.72631%0.309SS*.THydrogen-bonded Turntrans-63-16.2174.8-71.1173.7-179-177.10113.6S389 S390 T391 L395S389-K393 WeakPolarHBondContact O-CG 3.27Å; S389-K393 PolarHBondContact O-N 3.25Å; S390-K393 PolarHBondContact O-N 2.69Å; T391-K393 VanDerWaalsContact C-N 3.32Å; T391-K393 PolarHBondContact O-N 3.32Å; K393-L395 VanDerWaalsContact C-N 3.34Å
394S96.2Very high92.5Very high4 Ų462.1 Ų62.13%0.02832%0.321CS..THydrogen-bonded Turntrans-82.3-12.7178-56.70000112.8R318 Y333 S390 T391 K392R318-S394 PolarHBondContact NH1-O 3.05Å; Y333-S394 WeakPolarHBondContact CE1-O 3.37Å; S390-S394 PolarHBondContact O-N 3.25Å; S390-S394 PolarHBondContact O-OG 3.08Å; T391-S394 WeakPolarHBondContact O-CA 3.45Å; T391-S394 VanDerWaalsContact O-CB 3.22Å; T391-S394 WeakPolarHBondContact O-CB 3.4Å; T391-S394 PolarHBondContact O-N 2.91Å; K392-S394 PolarHBondContact O-N 3.08Å; K392-S394 VanDerWaalsContact O-N 3.15Å
395L96.2Very high92.5Very high73 Ų7365.3 Ų65.338%0.38234%0.337SS..  trans-58.5143170.6-71.3167.8000110.4N334 I337 I341 K392 K393N334-L395 HydrophobicContact CB-CD2 4.05Å; I337-L395 HydrophobicContact CB-CD2 3.9Å; I337-L395 HydrophobicContact CG2-CD2 3.61Å; I337-L395 HydrophobicContact CG2-CG 3.7Å; I341-L395 HydrophobicContact CD1-CD1 4.06Å; I341-L395 HydrophobicContact CD1-CG 4.35Å; K392-L395 WeakPolarHBondContact O-CB 3.27Å; K392-L395 PolarHBondContact O-N 3.3Å; K392-L395 VanDerWaalsContact O-N 3.13Å; K393-L395 VanDerWaalsContact C-N 3.34Å
396I93Very high92.2Very high10 Ų1064.1 Ų64.15%0.05133%0.33CS..  trans-115125.5-178.9-64.9170.9000107.8V321 L322 V330 Y333 N334 Q398V321-I396 HydrophobicContact CB-CD1 3.86Å; V321-I396 HydrophobicContact CG1-CD1 3.37Å; L322-I396 HydrophobicContact CD2-CD1 3.78Å; L322-I396 HydrophobicContact CD2-CG1 4.07Å; L322-I396 HydrophobicContact CG-CD1 4.12Å; V330-I396 HydrophobicContact CG1-CB 4.3Å; V330-I396 HydrophobicContact CG1-CG2 4.08Å; Y333-I396 HydrophobicContact CD1-CD1 3.94Å; Y333-I396 HydrophobicContact CE1-CD1 3.8Å; Y333-I396 HydrophobicContact CE1-CG1 4.3Å; N334-I396 PolarHBondContact ND2-O 3.5Å; N334-I396 PolarHBondContact OD1-N 3.48Å; I396-Q398 PolarHBondContact O-N 3.03Å
397D86.9Confident91.9Very high122 Ų12263.5 Ų63.565%0.65233%0.331SS*.  trans-57.2138.6175.9-58.5-41.1000110.3
398Q75.7Confident91.5Very high122 Ų12268 Ų6857%0.5735%0.354SS*.  trans-63.8143.8174.3-67.2-158.8-900109.9I396I396-Q398 PolarHBondContact O-N 3.03Å
399P62Low90.9Very high125 Ų12573 Ų7381%0.81238%0.38SS*.  trans-61.10179.324.5-33.1000113.7R324R324-P399 HydrophobicContact CB-CB 4.5Å

Retrieved 399 of 399 residues in 388.5 ms (Link to these results)

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