A0A077Z7T2_TRITR Loading...

Anaphase-promoting complex subunit 5

AlphaFold DB , UniProt , Accession A0A077Z7T2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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
1M22.1Very low35.1Very low173 Ų17365.4 Ų65.485%0.85235%0.354SS*.  096.40-157.5176.175.600106.5T3M1-T3 HydrophobicContact CG-CG2 3.83Å; M1-T3 PolarHBondContact O-N 3.3Å
2I23.7Very low36.3Very low120 Ų12070.3 Ų70.362%0.61537%0.373SS*.  trans-98.178.3-175.1-56.5174.5000106.7I6 P36I2-I6 HydrophobicContact CG2-CD1 3.63Å; I2-P36 VanDerWaalsContact O-O 3.1Å
3T25.3Very low36.8Very low63 Ų6366.8 Ų66.839%0.38736%0.357SS..  trans-119.7101.2-170.854.90000110.8M1 E5 P36M1-T3 HydrophobicContact CG-CG2 3.83Å; M1-T3 PolarHBondContact O-N 3.3Å; T3-E5 PolarHBondContact O-N 3.35Å; T3-P36 HydrophobicContact CG2-CB 3.3Å; T3-P36 WeakPolarHBondContact CG2-O 3.31Å
4G32.5Very low37.5Very low29 Ų2962.3 Ų62.330%0.29933%0.333SS..SBendtrans88.7-17.8160.100000118.2I6G4-I6 VanDerWaalsContact C-N 3.32Å; G4-I6 PolarHBondContact O-N 3.11Å
5E36.2Very low38.3Very low112 Ų11265.1 Ų65.152%0.52334%0.341SS..Hα-helixtrans-75.2-23.1-177.3-65.8-178169.500113.8T3 K435T3-E5 PolarHBondContact O-N 3.35Å; E5-K435 IonicContact OE1-NZ 3.66Å
6I33.9Very low39.1Very low36 Ų3670.7 Ų70.719%0.18537%0.365CS..Hα-helixtrans-80.4-35.6179.4-72.8177.3000111.1I2 G4 D8 L10 L39 D158I2-I6 HydrophobicContact CG2-CD1 3.63Å; G4-I6 VanDerWaalsContact C-N 3.32Å; G4-I6 PolarHBondContact O-N 3.11Å; I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.1Å; I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; I6-L39 HydrophobicContact CB-CD2 4.35Å; I6-L39 HydrophobicContact CD1-CD1 4.18Å; I6-L39 HydrophobicContact CG2-CD1 4.12Å; I6-L39 HydrophobicContact CG2-CD2 3.71Å; I6-D158 HydrophobicContact CG2-CB 3.77Å; I6-D158 WeakPolarHBondContact CG2-OD2 3.1Å
7D39.2Very low39.7Very low9 Ų967 Ų675%0.04835%0.347CS..Hα-helixtrans-59.3-39.1-176.3-79.22.2000112.2L10 L11 L39 K43D7-L10 WeakPolarHBondContact O-CB 3.05Å; D7-L10 PolarHBondContact O-N 3.37Å; D7-L11 WeakPolarHBondContact O-CG 3.09Å; D7-L11 PolarHBondContact O-N 2.74Å; D7-L39 VanDerWaalsContact OD1-CD2 3.25Å; D7-L39 WeakPolarHBondContact OD1-CD2 3.21Å; D7-K43 IonicContact OD2-NZ 3.63Å; D7-K43 PolarHBondContact OD2-NZ 2.62Å
8D45.6Very low40.2Very low98 Ų9867.8 Ų67.852%0.52436%0.357SS..Hα-helixtrans-79.1-34.6-169.4-65-25.8000113.8I6 L10 L11 E12I6-D8 VanDerWaalsContact C-N 3.31Å; I6-D8 PolarHBondContact O-N 3.1Å; D8-L10 PolarHBondContact O-N 2.67Å; D8-L11 PolarHBondContact O-N 3.38Å; D8-L11 VanDerWaalsContact O-N 3.11Å; D8-E12 PolarHBondContact O-N 3.14Å
9V40.2Very low40.9Very low62 Ų6271.1 Ų71.138%0.37638%0.375SS..Hα-helixtrans-65.1-31.6173.6178.60000110.5
10L40.5Very low41.4Very low7 Ų768 Ų684%0.03736%0.359CS..Hα-helixtrans-69.5-36.4173.2-58.1171.1000110.8I6 D7 D8 E12 P13 F47 D158 L161I6-L10 HydrophobicContact CG2-CD1 3.98Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.26Å; D7-L10 WeakPolarHBondContact O-CB 3.05Å; D7-L10 PolarHBondContact O-N 3.37Å; D8-L10 PolarHBondContact O-N 2.67Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.4Å; L10-P13 WeakPolarHBondContact O-CD 3.2Å; L10-F47 HydrophobicContact CB-CD2 3.89Å; L10-F47 HydrophobicContact CB-CE2 4.37Å; L10-F47 HydrophobicContact CB-CG 4.31Å; L10-F47 HydrophobicContact CD2-CD1 4.47Å; L10-F47 HydrophobicContact CD2-CD2 4.32Å; L10-F47 HydrophobicContact CD2-CE2 4.48Å; L10-F47 HydrophobicContact CD2-CG 4.24Å; L10-F47 WeakPolarHBondContact O-CD2 3.16Å; L10-F47 WeakPolarHBondContact O-CE2 3.4Å; L10-D158 HydrophobicContact CD2-CB 4.14Å; L10-L161 HydrophobicContact CD2-CB 4.01Å; L10-L161 HydrophobicContact CD2-CD1 4.2Å; L10-L161 HydrophobicContact CD2-CD2 3.06Å; L10-L161 HydrophobicContact CD2-CG 3.88Å
11L46.9Very low42.2Very low10 Ų1065.1 Ų65.15%0.05234%0.343CS..Hα-helixtrans-72.9-21-178.2-61.9179.3000113.6D7 D8 L14 F15 L29D7-L11 WeakPolarHBondContact O-CG 3.09Å; D7-L11 PolarHBondContact O-N 2.74Å; D8-L11 PolarHBondContact O-N 3.38Å; D8-L11 VanDerWaalsContact O-N 3.11Å; L11-L14 HydrophobicContact CD2-CD1 3.62Å; L11-L14 WeakPolarHBondContact O-CA 3.07Å; L11-L14 VanDerWaalsContact O-CB 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-F15 HydrophobicContact CB-CD2 4.38Å; L11-F15 HydrophobicContact CB-CE2 3.66Å; L11-F15 HydrophobicContact CB-CZ 4.02Å; L11-F15 WeakPolarHBondContact O-CD2 3.07Å; L11-F15 PolarHBondContact O-N 2.77Å; L11-F15 VanDerWaalsContact O-N 3.08Å; L11-L29 HydrophobicContact CD2-CB 3.98Å
12E48.9Very low44Very low124 Ų12459.4 Ų59.458%0.57932%0.316SS*.Hα-helixtrans-56.6-48-174.6-174.3172.3-161.200114.1D8 L10 L14 F15D8-E12 PolarHBondContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.3Å; L10-E12 PolarHBondContact O-N 3.4Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 2.83Å; E12-F15 PolarHBondContact O-N 3.37Å
13P43.7Very low45.7Very low26 Ų2660.6 Ų60.617%0.16932%0.324CS..Hα-helixtrans-62.6-30.3170.4-26.636.8000114.5L10 F15 Q16 C17 F47 F152L10-P13 WeakPolarHBondContact O-CD 3.2Å; P13-F15 VanDerWaalsContact C-N 3.32Å; P13-F15 PolarHBondContact O-N 3.21Å; P13-Q16 WeakPolarHBondContact O-CB 3.5Å; P13-Q16 PolarHBondContact O-N 2.75Å; P13-C17 PolarHBondContact O-SG 3.47Å; P13-F47 HydrophobicContact CB-CE2 4.04Å; P13-F47 HydrophobicContact CG-CE2 3.72Å; P13-F47 HydrophobicContact CG-CZ 4.09Å; P13-F152 HydrophobicContact CG-CE2 4.09Å; P13-F152 HydrophobicContact CG-CZ 3.84Å
14L46.1Very low47.3Very low3 Ų363.8 Ų63.82%0.01633%0.334CS..Hα-helixtrans-68.4-33.2178.7-54.9-173.8000111.7L11 E12 Q16 C17 F21 F26 L29 F47 V50L11-L14 HydrophobicContact CD2-CD1 3.62Å; L11-L14 WeakPolarHBondContact O-CA 3.07Å; L11-L14 VanDerWaalsContact O-CB 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.38Å; L11-L14 PolarHBondContact O-N 3.46Å; E12-L14 VanDerWaalsContact C-N 3.29Å; E12-L14 PolarHBondContact O-N 2.83Å; L14-Q16 PolarHBondContact O-N 3.25Å; L14-C17 WeakPolarHBondContact O-CB 3.37Å; L14-C17 PolarHBondContact O-N 3.42Å; L14-F21 HydrophobicContact CB-CE2 4.36Å; L14-F21 HydrophobicContact CD2-CE2 4.17Å; L14-F21 HydrophobicContact CD2-CZ 4.39Å; L14-F26 HydrophobicContact CB-CE1 4.44Å; L14-L29 HydrophobicContact CD1-CD1 3.93Å; L14-F47 HydrophobicContact CD2-CD2 4.41Å; L14-F47 HydrophobicContact CG-CD2 4.38Å; L14-V50 HydrophobicContact CD2-CB 3.3Å; L14-V50 HydrophobicContact CD2-CG1 3.31Å; L14-V50 HydrophobicContact CD2-CG2 3.53Å
15F50Low48.3Very low104 Ų10462.6 Ų62.646%0.45632%0.321SS..Hα-helixtrans-66.7-22.1175.4-65.5-56.8000113.3L11 E12 P13 C17 F26L11-F15 HydrophobicContact CB-CD2 4.38Å; L11-F15 HydrophobicContact CB-CE2 3.66Å; L11-F15 HydrophobicContact CB-CZ 4.02Å; L11-F15 WeakPolarHBondContact O-CD2 3.07Å; L11-F15 PolarHBondContact O-N 2.77Å; L11-F15 VanDerWaalsContact O-N 3.08Å; E12-F15 PolarHBondContact O-N 3.37Å; P13-F15 VanDerWaalsContact C-N 3.32Å; P13-F15 PolarHBondContact O-N 3.21Å; F15-C17 PolarHBondContact O-N 2.96Å; F15-F26 AromaticContact CD1-CD1 3.96Å; F15-F26 HydrophobicContact CD1-CD1 3.96Å; F15-F26 AromaticContact CD1-CE1 3.55Å; F15-F26 HydrophobicContact CD1-CE1 3.55Å; F15-F26 HydrophobicContact CD1-CZ 4.16Å; F15-F26 AromaticContact CE1-CD1 3.81Å; F15-F26 HydrophobicContact CE1-CD1 3.81Å; F15-F26 AromaticContact CE1-CE1 3.9Å; F15-F26 HydrophobicContact CE1-CE1 3.9Å; F15-F26 HydrophobicContact CG-CE1 4.45Å
16Q50.2Low49.2Very low155 Ų15558.8 Ų58.872%0.72430%0.303SS*.THydrogen-bonded Turntrans-77-0173.5-58.1-174.92.600112.8P13 L14 P18P13-Q16 WeakPolarHBondContact O-CB 3.5Å; P13-Q16 PolarHBondContact O-N 2.75Å; L14-Q16 PolarHBondContact O-N 3.25Å; Q16-P18 VanDerWaalsContact O-CD 3.23Å; Q16-P18 WeakPolarHBondContact O-CD 3.47Å
17C49.3Very low50.4Low8 Ų859.5 Ų59.55%0.05431%0.314CS..  trans-119.151.4-173.7-56.10000112.6P13 L14 F15 D19 L20 F21 V50 Y54P13-C17 PolarHBondContact O-SG 3.47Å; L14-C17 WeakPolarHBondContact O-CB 3.37Å; L14-C17 PolarHBondContact O-N 3.42Å; F15-C17 PolarHBondContact O-N 2.96Å; C17-D19 PolarHBondContact O-N 2.81Å; C17-D19 VanDerWaalsContact O-N 3.12Å; C17-L20 PolarHBondContact O-N 2.84Å; C17-L20 VanDerWaalsContact O-N 3.15Å; C17-F21 HydrophobicContact CB-CD2 4.39Å; C17-V50 HydrophobicContact CB-CG1 4.42Å; C17-Y54 HydrophobicContact CB-CD2 4.12Å; C17-Y54 HydrophobicContact CB-CE1 4.45Å; C17-Y54 HydrophobicContact CB-CE2 3.29Å; C17-Y54 VanDerWaalsContact CB-CZ 3.49Å; C17-Y54 WeakPolarHBondContact CB-OH 3.48Å; C17-Y54 WeakPolarHBondContact SG-CD2 3.41Å; C17-Y54 WeakPolarHBondContact SG-CE2 3.41Å
18P50Low51.2Low82 Ų8259.8 Ų59.853%0.53232%0.318SS..THydrogen-bonded Turntrans-62.7-24.3-171.427.6-36.1000113.3Q16 L20Q16-P18 VanDerWaalsContact O-CD 3.23Å; Q16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-L20 PolarHBondContact O-N 3.26Å
19D53.4Low51.5Low130 Ų13055.1 Ų55.170%0.69529%0.293SS*.THydrogen-bonded Turntrans-67.5-21.3-179.6-58.3-26.7000113.4C17C17-D19 PolarHBondContact O-N 2.81Å; C17-D19 VanDerWaalsContact O-N 3.12Å
20L50.7Low52.1Low9 Ų954 Ų545%0.04729%0.287CS..THydrogen-bonded Turntrans-94.3-35.8-178.3-72.4-171000112.4C17 P18 Y53 Y54 F68 L69C17-L20 PolarHBondContact O-N 2.84Å; C17-L20 VanDerWaalsContact O-N 3.15Å; P18-L20 PolarHBondContact O-N 3.26Å; L20-Y53 HydrophobicContact CD1-CD1 3.72Å; L20-Y53 HydrophobicContact CD1-CE1 3.88Å; L20-Y53 HydrophobicContact CD2-CE1 4.26Å; L20-Y54 HydrophobicContact CD1-CD2 4.2Å; L20-Y54 HydrophobicContact CD1-CE2 3.24Å; L20-Y54 HydrophobicContact CG-CE2 4Å; L20-Y54 WeakPolarHBondContact CG-OH 3.4Å; L20-F68 HydrophobicContact CD1-CD1 3.87Å; L20-F68 HydrophobicContact CD1-CE1 3.58Å; L20-F68 HydrophobicContact CD2-CD1 4.34Å; L20-L69 HydrophobicContact CB-CD2 3.64Å; L20-L69 HydrophobicContact CD2-CD1 4.08Å; L20-L69 HydrophobicContact CD2-CD2 3.71Å; L20-L69 HydrophobicContact CD2-CG 3.87Å; L20-L69 HydrophobicContact CG-CD2 4.15Å; L20-L69 WeakPolarHBondContact O-CD2 3.41Å
21F57.5Low52.6Low7 Ų762.3 Ų62.33%0.03132%0.318CS..  trans-109.1108.9-166.7-69.5-73000110.4L14 C17 T25 F26 L29 V46 V50 I72L14-F21 HydrophobicContact CB-CE2 4.36Å; L14-F21 HydrophobicContact CD2-CE2 4.17Å; L14-F21 HydrophobicContact CD2-CZ 4.39Å; C17-F21 HydrophobicContact CB-CD2 4.39Å; F21-T25 HydrophobicContact CD1-CG2 3.41Å; F21-T25 VanDerWaalsContact CD1-CG2 3.41Å; F21-T25 HydrophobicContact CE1-CG2 3.76Å; F21-F26 HydrophobicContact CB-CD1 4.13Å; F21-F26 HydrophobicContact CB-CD2 3.44Å; F21-F26 VanDerWaalsContact CB-CD2 3.44Å; F21-F26 HydrophobicContact CB-CE1 3.86Å; F21-F26 HydrophobicContact CB-CE2 3.14Å; F21-F26 HydrophobicContact CB-CG 3.94Å; F21-F26 HydrophobicContact CB-CZ 3.36Å; F21-F26 HydrophobicContact CD2-CE1 4.3Å; F21-F26 HydrophobicContact CD2-CZ 4.13Å; F21-F26 HydrophobicContact CG-CE1 4.17Å; F21-F26 HydrophobicContact CG-CE2 4.25Å; F21-F26 HydrophobicContact CG-CZ 4.02Å; F21-F26 WeakPolarHBondContact O-CD2 3.18Å; F21-F26 WeakPolarHBondContact O-CE2 3.3Å; F21-L29 HydrophobicContact CD1-CD1 3.98Å; F21-L29 HydrophobicContact CE1-CD1 3.6Å; F21-L29 HydrophobicContact CZ-CD1 4.18Å; F21-V46 HydrophobicContact CE1-CG1 4.12Å; F21-V46 HydrophobicContact CZ-CG1 4.01Å; F21-V50 HydrophobicContact CE2-CB 4.44Å; F21-V50 HydrophobicContact CE2-CG1 4.02Å; F21-V50 HydrophobicContact CE2-CG2 3.57Å; F21-V50 HydrophobicContact CZ-CG2 3.27Å; F21-I72 HydrophobicContact CE1-CD1 4.07Å; F21-I72 HydrophobicContact CE1-CG2 3.87Å; F21-I72 HydrophobicContact CZ-CD1 3.86Å
22D59.5Low52.3Low54 Ų5469.5 Ų69.529%0.28935%0.349SS..  trans-66.1162.8162.759.134.6000110.4E24 T25 F26 R73D22-E24 PolarHBondContact O-N 3.1Å; D22-E24 VanDerWaalsContact O-N 3.1Å; D22-E24 PolarHBondContact OD1-N 3.08Å; D22-T25 PolarHBondContact O-N 3.08Å; D22-T25 VanDerWaalsContact O-N 3.08Å; D22-T25 VanDerWaalsContact OD1-CB 3.25Å; D22-T25 WeakPolarHBondContact OD1-CB 3.35Å; D22-T25 PolarHBondContact OD1-N 3.01Å; D22-T25 PolarHBondContact OD1-OG1 2.98Å; D22-F26 PolarHBondContact O-N 3.12Å; D22-R73 IonicContact OD2-CZ 2.91Å; D22-R73 IonicContact OD2-NE 2.62Å; D22-R73 IonicContact OD2-NH2 3.09Å; D22-R73 PolarHBondContact OD2-NH2 2.75Å
23N59.4Low51.9Low145 Ų14565.5 Ų65.578%0.77533%0.334SS*.Hα-helixtrans-55.6-30.6180-69.1-20.4000112.4A27N23-A27 VanDerWaalsContact O-CB 3.28Å; N23-A27 WeakPolarHBondContact O-CB 3.47Å; N23-A27 PolarHBondContact O-N 3.01Å
24E58.6Low51.7Low130 Ų13071.6 Ų71.661%0.60737%0.37SS*.Hα-helixtrans-70.4-41.8179.5-163.4-179176.200111.6D22 A27 A28 F77D22-E24 PolarHBondContact O-N 3.1Å; D22-E24 VanDerWaalsContact O-N 3.1Å; D22-E24 PolarHBondContact OD1-N 3.08Å; E24-A27 PolarHBondContact O-N 3.42Å; E24-A28 WeakPolarHBondContact O-CB 3.01Å; E24-A28 PolarHBondContact O-N 3.21Å; E24-F77 HydrophobicContact CB-CZ 4.3Å; E24-F77 HydrophobicContact CG-CE1 3.93Å; E24-F77 HydrophobicContact CG-CZ 3.79Å
25T54.8Low51Low3 Ų372.3 Ų72.32%0.01838%0.379CS..Hα-helixtrans-70-40178.5-49.40000110.7F21 D22 A28 L29 I72 L76F21-T25 HydrophobicContact CD1-CG2 3.41Å; F21-T25 VanDerWaalsContact CD1-CG2 3.41Å; F21-T25 HydrophobicContact CE1-CG2 3.76Å; D22-T25 PolarHBondContact O-N 3.08Å; D22-T25 VanDerWaalsContact O-N 3.08Å; D22-T25 VanDerWaalsContact OD1-CB 3.25Å; D22-T25 WeakPolarHBondContact OD1-CB 3.35Å; D22-T25 PolarHBondContact OD1-N 3.01Å; D22-T25 PolarHBondContact OD1-OG1 2.98Å; T25-A28 PolarHBondContact O-N 3.3Å; T25-L29 WeakPolarHBondContact O-CG 3.43Å; T25-L29 PolarHBondContact O-N 2.95Å; T25-I72 HydrophobicContact CG2-CG2 3.85Å; T25-L76 HydrophobicContact CG2-CD1 3.4Å; T25-L76 VanDerWaalsContact CG2-CD1 3.4Å
26F55.8Low50.1Low32 Ų3271.2 Ų71.214%0.1438%0.382CS..Hα-helixtrans-61.2-44.1170.3-84.4-61.1000112.2L14 F15 F21 D22 A28 L29 S30L14-F26 HydrophobicContact CB-CE1 4.44Å; F15-F26 AromaticContact CD1-CD1 3.96Å; F15-F26 HydrophobicContact CD1-CD1 3.96Å; F15-F26 AromaticContact CD1-CE1 3.55Å; F15-F26 HydrophobicContact CD1-CE1 3.55Å; F15-F26 HydrophobicContact CD1-CZ 4.16Å; F15-F26 AromaticContact CE1-CD1 3.81Å; F15-F26 HydrophobicContact CE1-CD1 3.81Å; F15-F26 AromaticContact CE1-CE1 3.9Å; F15-F26 HydrophobicContact CE1-CE1 3.9Å; F15-F26 HydrophobicContact CG-CE1 4.45Å; F21-F26 HydrophobicContact CB-CD1 4.13Å; F21-F26 HydrophobicContact CB-CD2 3.44Å; F21-F26 VanDerWaalsContact CB-CD2 3.44Å; F21-F26 HydrophobicContact CB-CE1 3.86Å; F21-F26 HydrophobicContact CB-CE2 3.14Å; F21-F26 HydrophobicContact CB-CG 3.94Å; F21-F26 HydrophobicContact CB-CZ 3.36Å; F21-F26 HydrophobicContact CD2-CE1 4.3Å; F21-F26 HydrophobicContact CD2-CZ 4.13Å; F21-F26 HydrophobicContact CG-CE1 4.17Å; F21-F26 HydrophobicContact CG-CE2 4.25Å; F21-F26 HydrophobicContact CG-CZ 4.02Å; F21-F26 WeakPolarHBondContact O-CD2 3.18Å; F21-F26 WeakPolarHBondContact O-CE2 3.3Å; D22-F26 PolarHBondContact O-N 3.12Å; F26-A28 VanDerWaalsContact C-N 3.34Å; F26-A28 PolarHBondContact O-N 2.91Å; F26-L29 PolarHBondContact O-N 2.79Å; F26-S30 WeakPolarHBondContact O-CB 3.16Å; F26-S30 PolarHBondContact O-N 3.25Å; F26-S30 PolarHBondContact O-OG 3.1Å
27A59Low49.1Very low51 Ų5169.9 Ų69.942%0.42138%0.384SS..Hα-helixtrans-62.4-42176.900000111.4N23 E24 S30 R31N23-A27 VanDerWaalsContact O-CB 3.28Å; N23-A27 WeakPolarHBondContact O-CB 3.47Å; N23-A27 PolarHBondContact O-N 3.01Å; E24-A27 PolarHBondContact O-N 3.42Å; A27-S30 PolarHBondContact O-N 2.78Å; A27-R31 WeakPolarHBondContact O-CG 3.26Å; A27-R31 PolarHBondContact O-N 3.28Å; A27-R31 VanDerWaalsContact O-N 3.16Å
28A56Low48.3Very low15 Ų1575.4 Ų75.412%0.12441%0.409CS..Hα-helixtrans-61.7-42.6176.500000112.4E24 T25 F26 S30 R31 L76 F77E24-A28 WeakPolarHBondContact O-CB 3.01Å; E24-A28 PolarHBondContact O-N 3.21Å; T25-A28 PolarHBondContact O-N 3.3Å; F26-A28 VanDerWaalsContact C-N 3.34Å; F26-A28 PolarHBondContact O-N 2.91Å; A28-S30 VanDerWaalsContact C-N 3.3Å; A28-S30 PolarHBondContact O-N 3.23Å; A28-R31 WeakPolarHBondContact O-CB 3.14Å; A28-R31 PolarHBondContact O-N 3.46Å; A28-L76 HydrophobicContact CB-CB 4.38Å; A28-F77 HydrophobicContact CB-CE1 3.81Å; A28-F77 HydrophobicContact CB-CZ 4.02Å
29L52.1Low47.9Very low1 Ų173.6 Ų73.61%0.00540%0.395CS..Hα-helixtrans-66.2-31.6174.5-75166.9000113.3L11 L14 F21 T25 F26 R31 K43 V46 L76L11-L29 HydrophobicContact CD2-CB 3.98Å; L14-L29 HydrophobicContact CD1-CD1 3.93Å; F21-L29 HydrophobicContact CD1-CD1 3.98Å; F21-L29 HydrophobicContact CE1-CD1 3.6Å; F21-L29 HydrophobicContact CZ-CD1 4.18Å; T25-L29 WeakPolarHBondContact O-CG 3.43Å; T25-L29 PolarHBondContact O-N 2.95Å; F26-L29 PolarHBondContact O-N 2.79Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-K43 HydrophobicContact CD2-CG 4.5Å; L29-K43 WeakPolarHBondContact O-CE 3.22Å; L29-K43 PolarHBondContact O-NZ 3.35Å; L29-V46 HydrophobicContact CD1-CG1 3.89Å; L29-V46 HydrophobicContact CD2-CB 3.68Å; L29-V46 HydrophobicContact CD2-CG1 3.57Å; L29-V46 HydrophobicContact CD2-CG2 4.05Å; L29-V46 HydrophobicContact CG-CG1 4.3Å; L29-L76 HydrophobicContact CD1-CD1 4.37Å; L29-L76 HydrophobicContact CD2-CD1 4.08Å; L29-L76 HydrophobicContact CD2-CD2 3.72Å; L29-L76 HydrophobicContact CG-CD1 3.84Å; L29-L76 HydrophobicContact CG-CD2 4.13Å
30S51.6Low47.6Very low37 Ų3768.9 Ų68.926%0.25937%0.372SS..Hα-helixtrans-78.1-13.4178.7-54.20000113F26 A27 A28 K32F26-S30 WeakPolarHBondContact O-CB 3.16Å; F26-S30 PolarHBondContact O-N 3.25Å; F26-S30 PolarHBondContact O-OG 3.1Å; A27-S30 PolarHBondContact O-N 2.78Å; A28-S30 VanDerWaalsContact C-N 3.3Å; A28-S30 PolarHBondContact O-N 3.23Å; S30-K32 PolarHBondContact O-N 3.31Å
31R50.4Low47.5Very low182 Ų18270.5 Ų70.569%0.68738%0.383SS*.SBendtrans-64.5125177.6-73.9179.3-175.4-178.92.4110.4A27 A28 L29 K43A27-R31 WeakPolarHBondContact O-CG 3.26Å; A27-R31 PolarHBondContact O-N 3.28Å; A27-R31 VanDerWaalsContact O-N 3.16Å; A28-R31 WeakPolarHBondContact O-CB 3.14Å; A28-R31 PolarHBondContact O-N 3.46Å; L29-R31 VanDerWaalsContact C-N 3.31Å; R31-K43 WeakPolarHBondContact O-CE 3.49Å; R31-K43 PolarHBondContact O-NZ 2.99Å
32K41.6Very low47.1Very low162 Ų16272 Ų7270%0.70439%0.393SS*.PPolyproline II helixtrans-59.8146.6176.4-72.4-178.8179.2173.80111.2S30S30-K32 PolarHBondContact O-N 3.31Å
33P39.7Very low46.7Very low40 Ų4070.3 Ų70.326%0.2638%0.383SS..PPolyproline II helixtrans-60.8151.2170.624.2-31.1000111.4G35 E38P33-G35 PolarHBondContact O-N 3.43Å; P33-E38 WeakPolarHBondContact CB-O 3.37Å; P33-E38 WeakPolarHBondContact CG-O 2.92Å
34V39.2Very low46.3Very low154 Ų15464.3 Ų64.393%0.93335%0.351SS*.SBendtrans-66.5-23.7-177.8-174.60000111.3
35G33.3Very low46Very low18 Ų1858.2 Ų58.219%0.18632%0.323CS..SBendtrans-129.2152.2-177.600000114.8P33 T37 E38P33-G35 PolarHBondContact O-N 3.43Å; G35-T37 PolarHBondContact O-N 2.85Å; G35-E38 PolarHBondContact O-N 3.37Å
36P29.7Very low46Very low80 Ų8058.1 Ų58.152%0.51932%0.322SS..THydrogen-bonded Turntrans-75.2-1.3-174.330-36.1000115.9I2 T3I2-P36 VanDerWaalsContact O-O 3.1Å; T3-P36 HydrophobicContact CG2-CB 3.3Å; T3-P36 WeakPolarHBondContact CG2-O 3.31Å
37T30.6Very low46Very low127 Ų12756.7 Ų56.778%0.77932%0.316SS*.THydrogen-bonded Turntrans-125.9-0178.948.60000112.8G35G35-T37 PolarHBondContact O-N 2.85Å
38E31.2Very low45.7Very low124 Ų12454.5 Ų54.558%0.57930%0.297SS*.  trans-103.184.3-179.5-68.4-179.317800108.8P33 G35 S40P33-E38 WeakPolarHBondContact CB-O 3.37Å; P33-E38 WeakPolarHBondContact CG-O 2.92Å; G35-E38 PolarHBondContact O-N 3.37Å; E38-S40 PolarHBondContact O-N 2.8Å; E38-S40 VanDerWaalsContact O-N 3.09Å
39L41.9Very low45.7Very low45 Ų4554 Ų5424%0.23629%0.292CS..  trans-56.8114.6153.2-94.3150.8000105.8I6 D7 P41 I44I6-L39 HydrophobicContact CB-CD2 4.35Å; I6-L39 HydrophobicContact CD1-CD1 4.18Å; I6-L39 HydrophobicContact CG2-CD1 4.12Å; I6-L39 HydrophobicContact CG2-CD2 3.71Å; D7-L39 VanDerWaalsContact OD1-CD2 3.25Å; D7-L39 WeakPolarHBondContact OD1-CD2 3.21Å; L39-P41 VanDerWaalsContact O-CD 3.23Å; L39-P41 WeakPolarHBondContact O-CD 3.4Å; L39-P41 VanDerWaalsContact O-N 3.13Å; L39-I44 HydrophobicContact CB-CD1 4.11Å; L39-I44 HydrophobicContact CD2-CD1 4.42Å; L39-I44 HydrophobicContact CD2-CG1 4.47Å
40S48Very low46Very low30 Ų3054.1 Ų54.121%0.2129%0.293CS..  trans-64.7124.2-173.7840000108.1E38 T42 K43E38-S40 PolarHBondContact O-N 2.8Å; E38-S40 VanDerWaalsContact O-N 3.09Å; S40-T42 PolarHBondContact O-N 3.44Å; S40-T42 WeakPolarHBondContact OG-CB 3.47Å; S40-K43 PolarHBondContact O-N 3.48Å; S40-K43 WeakPolarHBondContact OG-CG 3.46Å; S40-K43 PolarHBondContact OG-N 3.45Å; S40-K43 VanDerWaalsContact OG-N 3.14Å
41P46.9Very low46Very low44 Ų4453 Ų5329%0.28628%0.283SS..Hα-helixtrans-50-31.9174.9-2936.2000111.3L39 C45L39-P41 VanDerWaalsContact O-CD 3.23Å; L39-P41 WeakPolarHBondContact O-CD 3.4Å; L39-P41 VanDerWaalsContact O-N 3.13Å; P41-C45 WeakPolarHBondContact O-CB 3.45Å; P41-C45 PolarHBondContact O-N 2.79Å; P41-C45 VanDerWaalsContact O-N 3.11Å; P41-C45 PolarHBondContact O-SG 2.97Å
42T49.6Very low46Very low38 Ų3844.8 Ų44.823%0.23325%0.253CS..Hα-helixtrans-49.5-51.9170.1-41.70000113.7S40 C45 V46 I75 L76S40-T42 PolarHBondContact O-N 3.44Å; S40-T42 WeakPolarHBondContact OG-CB 3.47Å; T42-C45 PolarHBondContact O-N 3.43Å; T42-V46 WeakPolarHBondContact O-CG2 3.26Å; T42-V46 PolarHBondContact O-N 2.81Å; T42-I75 HydrophobicContact CG2-CG2 3.32Å; T42-L76 HydrophobicContact CG2-CD2 3.91Å
43K51.7Low46.5Very low18 Ų1837.4 Ų37.48%0.07822%0.221CC..Hα-helixtrans-73.4-47.2-174.4-78.2-174.6-170.8-162.70113.4D7 L29 R31 S40 C45 V46 F47D7-K43 IonicContact OD2-NZ 3.63Å; D7-K43 PolarHBondContact OD2-NZ 2.62Å; L29-K43 HydrophobicContact CD2-CG 4.5Å; L29-K43 WeakPolarHBondContact O-CE 3.22Å; L29-K43 PolarHBondContact O-NZ 3.35Å; R31-K43 WeakPolarHBondContact O-CE 3.49Å; R31-K43 PolarHBondContact O-NZ 2.99Å; S40-K43 PolarHBondContact O-N 3.48Å; S40-K43 WeakPolarHBondContact OG-CG 3.46Å; S40-K43 PolarHBondContact OG-N 3.45Å; S40-K43 VanDerWaalsContact OG-N 3.14Å; K43-C45 PolarHBondContact O-N 2.78Å; K43-C45 VanDerWaalsContact O-N 3.17Å; K43-V46 PolarHBondContact O-N 2.72Å; K43-F47 PolarHBondContact O-N 3.47Å
44I50.1Low47Very low20 Ų2038.5 Ų38.510%0.10322%0.22CC..Hα-helixtrans-52.7-39.3173.4-69174.5000108.8L39 F47 L48 L161L39-I44 HydrophobicContact CB-CD1 4.11Å; L39-I44 HydrophobicContact CD2-CD1 4.42Å; L39-I44 HydrophobicContact CD2-CG1 4.47Å; I44-F47 WeakPolarHBondContact O-CB 3.15Å; I44-F47 PolarHBondContact O-N 2.89Å; I44-L48 HydrophobicContact CG2-CD1 3.76Å; I44-L48 HydrophobicContact CG2-CG 4.41Å; I44-L48 WeakPolarHBondContact O-CB 3.39Å; I44-L48 WeakPolarHBondContact O-CD1 3.41Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 2.68Å; I44-L161 HydrophobicContact CG2-CD1 4.28Å
45C52Low47.3Very low2 Ų234 Ų341%0.01420%0.196CC..Hα-helixtrans-81.7-33-176.3-64.60000114.5P41 T42 K43 F47 L48 L49 L88P41-C45 WeakPolarHBondContact O-CB 3.45Å; P41-C45 PolarHBondContact O-N 2.79Å; P41-C45 VanDerWaalsContact O-N 3.11Å; P41-C45 PolarHBondContact O-SG 2.97Å; T42-C45 PolarHBondContact O-N 3.43Å; K43-C45 PolarHBondContact O-N 2.78Å; K43-C45 VanDerWaalsContact O-N 3.17Å; C45-F47 VanDerWaalsContact C-N 3.28Å; C45-L48 PolarHBondContact O-N 3.07Å; C45-L49 VanDerWaalsContact O-CB 3.28Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 WeakPolarHBondContact O-CD1 2.96Å; C45-L49 WeakPolarHBondContact O-CG 3.32Å; C45-L49 PolarHBondContact O-N 2.77Å; C45-L88 HydrophobicContact CB-CD2 3.22Å; C45-L88 HydrophobicContact CB-CG 4.43Å; C45-L88 WeakPolarHBondContact SG-CD2 2.96Å
46V56.1Low47.8Very low0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-62-41.9167.7174.30000110.2F21 L29 T42 K43 L48 L49 V50 I72 I75 L76F21-V46 HydrophobicContact CE1-CG1 4.12Å; F21-V46 HydrophobicContact CZ-CG1 4.01Å; L29-V46 HydrophobicContact CD1-CG1 3.89Å; L29-V46 HydrophobicContact CD2-CB 3.68Å; L29-V46 HydrophobicContact CD2-CG1 3.57Å; L29-V46 HydrophobicContact CD2-CG2 4.05Å; L29-V46 HydrophobicContact CG-CG1 4.3Å; T42-V46 WeakPolarHBondContact O-CG2 3.26Å; T42-V46 PolarHBondContact O-N 2.81Å; K43-V46 PolarHBondContact O-N 2.72Å; V46-L48 PolarHBondContact O-N 3.45Å; V46-L49 PolarHBondContact O-N 3.3Å; V46-V50 HydrophobicContact CG1-CG2 4.16Å; V46-V50 WeakPolarHBondContact O-CG2 3.18Å; V46-V50 PolarHBondContact O-N 2.82Å; V46-I72 HydrophobicContact CG1-CD1 4.3Å; V46-I72 HydrophobicContact CG1-CG1 4.44Å; V46-I72 HydrophobicContact CG1-CG2 4.14Å; V46-I72 HydrophobicContact CG2-CG2 4.33Å; V46-I75 HydrophobicContact CG2-CG2 4.18Å; V46-L76 HydrophobicContact CG2-CD1 4.26Å; V46-L76 HydrophobicContact CG2-CD2 4.05Å; V46-L76 HydrophobicContact CG2-CG 4.03Å
47F54.8Low48.4Very low3 Ų330.8 Ų30.81%0.01317%0.17CC..Hα-helixtrans-55.7-53.7172.7179.9-84000111.8L10 P13 L14 K43 I44 C45 L49 V50 F51 F152 L161 M165L10-F47 HydrophobicContact CB-CD2 3.89Å; L10-F47 HydrophobicContact CB-CE2 4.37Å; L10-F47 HydrophobicContact CB-CG 4.31Å; L10-F47 HydrophobicContact CD2-CD1 4.47Å; L10-F47 HydrophobicContact CD2-CD2 4.32Å; L10-F47 HydrophobicContact CD2-CE2 4.48Å; L10-F47 HydrophobicContact CD2-CG 4.24Å; L10-F47 WeakPolarHBondContact O-CD2 3.16Å; L10-F47 WeakPolarHBondContact O-CE2 3.4Å; P13-F47 HydrophobicContact CB-CE2 4.04Å; P13-F47 HydrophobicContact CG-CE2 3.72Å; P13-F47 HydrophobicContact CG-CZ 4.09Å; L14-F47 HydrophobicContact CD2-CD2 4.41Å; L14-F47 HydrophobicContact CG-CD2 4.38Å; K43-F47 PolarHBondContact O-N 3.47Å; I44-F47 WeakPolarHBondContact O-CB 3.15Å; I44-F47 PolarHBondContact O-N 2.89Å; C45-F47 VanDerWaalsContact C-N 3.28Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.72Å; F47-V50 PolarHBondContact O-N 3.49Å; F47-V50 VanDerWaalsContact O-N 3.17Å; F47-F51 HydrophobicContact CD1-CB 4.28Å; F47-F51 HydrophobicContact CE1-CB 3.91Å; F47-F51 HydrophobicContact CE1-CD2 4.32Å; F47-F51 HydrophobicContact CE1-CG 4.22Å; F47-F51 HydrophobicContact CZ-CB 4.41Å; F47-F51 HydrophobicContact CZ-CD2 4.28Å; F47-F51 VanDerWaalsContact O-CB 3.3Å; F47-F51 WeakPolarHBondContact O-CB 3.42Å; F47-F51 PolarHBondContact O-N 2.98Å; F47-F152 HydrophobicContact CZ-CZ 4.35Å; F47-L161 HydrophobicContact CB-CD1 4.49Å; F47-L161 HydrophobicContact CD1-CD1 3.22Å; F47-L161 HydrophobicContact CD1-CD2 3.46Å; F47-L161 VanDerWaalsContact CD1-CD2 3.46Å; F47-L161 HydrophobicContact CD1-CG 3.89Å; F47-L161 HydrophobicContact CE1-CD1 3.69Å; F47-L161 HydrophobicContact CE1-CD2 3.1Å; F47-L161 HydrophobicContact CE1-CG 3.86Å; F47-L161 HydrophobicContact CE2-CD2 4.39Å; F47-L161 HydrophobicContact CG-CD1 4.09Å; F47-L161 HydrophobicContact CG-CD2 4.23Å; F47-L161 HydrophobicContact CZ-CD2 3.6Å; F47-M165 HydrophobicContact CE1-CE 4.11Å; F47-M165 HydrophobicContact CE1-SD 4.08Å
48L52.9Low48.9Very low5 Ų530.7 Ų30.73%0.02617%0.172CC..Hα-helixtrans-59.8-43-177.9-74165.7000111.9I44 C45 V46 V50 V52 L108 L161 V164 M165I44-L48 HydrophobicContact CG2-CD1 3.76Å; I44-L48 HydrophobicContact CG2-CG 4.41Å; I44-L48 WeakPolarHBondContact O-CB 3.39Å; I44-L48 WeakPolarHBondContact O-CD1 3.41Å; I44-L48 WeakPolarHBondContact O-CG 3.39Å; I44-L48 PolarHBondContact O-N 2.68Å; C45-L48 PolarHBondContact O-N 3.07Å; V46-L48 PolarHBondContact O-N 3.45Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.37Å; L48-V52 VanDerWaalsContact O-CB 3.23Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 WeakPolarHBondContact O-CG2 3.23Å; L48-V52 PolarHBondContact O-N 3.17Å; L48-L108 HydrophobicContact CD1-CD2 3.89Å; L48-L161 HydrophobicContact CD1-CD1 4.35Å; L48-L161 HydrophobicContact CD2-CD1 3.48Å; L48-L161 VanDerWaalsContact CD2-CD1 3.48Å; L48-L161 HydrophobicContact CG-CD1 3.61Å; L48-V164 HydrophobicContact CD1-CB 4.08Å; L48-V164 HydrophobicContact CD1-CG1 3.71Å; L48-V164 HydrophobicContact CD1-CG2 4.08Å; L48-V164 HydrophobicContact CD2-CB 3.76Å; L48-V164 HydrophobicContact CD2-CG1 3.39Å; L48-V164 HydrophobicContact CG-CG1 4.15Å; L48-M165 HydrophobicContact CD2-CG 3.94Å; L48-M165 HydrophobicContact CD2-SD 3.88Å
49L57.1Low49.1Very low5 Ų527.1 Ų27.13%0.02616%0.16CC..Hα-helixtrans-59.4-46.3176.9-76.9168.5000111.2C45 V46 F47 Y53 F68 I71 I75 L92 L104C45-L49 VanDerWaalsContact O-CB 3.28Å; C45-L49 WeakPolarHBondContact O-CB 3.38Å; C45-L49 WeakPolarHBondContact O-CD1 2.96Å; C45-L49 WeakPolarHBondContact O-CG 3.32Å; C45-L49 PolarHBondContact O-N 2.77Å; V46-L49 PolarHBondContact O-N 3.3Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 2.72Å; L49-Y53 VanDerWaalsContact O-CB 3.28Å; L49-Y53 WeakPolarHBondContact O-CB 3.46Å; L49-Y53 PolarHBondContact O-N 3.31Å; L49-F68 VanDerWaalsContact C-CZ 3.41Å; L49-F68 HydrophobicContact CB-CE2 3.74Å; L49-F68 HydrophobicContact CB-CZ 3.87Å; L49-F68 HydrophobicContact CD2-CE2 4.39Å; L49-F68 VanDerWaalsContact O-CE2 3.28Å; L49-F68 WeakPolarHBondContact O-CE2 3.39Å; L49-F68 VanDerWaalsContact O-CZ 3.26Å; L49-F68 WeakPolarHBondContact O-CZ 3.5Å; L49-I71 HydrophobicContact CD1-CG2 4.45Å; L49-I75 HydrophobicContact CD1-CD1 3.71Å; L49-L92 HydrophobicContact CD1-CD2 4Å; L49-L92 HydrophobicContact CD2-CD1 4.27Å; L49-L92 HydrophobicContact CD2-CD2 3.99Å; L49-L104 HydrophobicContact CD2-CD2 3.89Å
50V56.8Low49Very low3 Ų333.1 Ų33.12%0.01818%0.18CC..Hα-helixtrans-70.9-44.4-176.9177.90000110.9L14 C17 F21 V46 F47 L48 V52 Y53 Y54 F68 I72L14-V50 HydrophobicContact CD2-CB 3.3Å; L14-V50 HydrophobicContact CD2-CG1 3.31Å; L14-V50 HydrophobicContact CD2-CG2 3.53Å; C17-V50 HydrophobicContact CB-CG1 4.42Å; F21-V50 HydrophobicContact CE2-CB 4.44Å; F21-V50 HydrophobicContact CE2-CG1 4.02Å; F21-V50 HydrophobicContact CE2-CG2 3.57Å; F21-V50 HydrophobicContact CZ-CG2 3.27Å; V46-V50 HydrophobicContact CG1-CG2 4.16Å; V46-V50 WeakPolarHBondContact O-CG2 3.18Å; V46-V50 PolarHBondContact O-N 2.82Å; F47-V50 PolarHBondContact O-N 3.49Å; F47-V50 VanDerWaalsContact O-N 3.17Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.37Å; V50-V52 VanDerWaalsContact C-N 3.33Å; V50-V52 PolarHBondContact O-N 2.73Å; V50-Y53 WeakPolarHBondContact O-CB 3.34Å; V50-Y53 PolarHBondContact O-N 3.14Å; V50-Y53 VanDerWaalsContact O-N 3.15Å; V50-Y54 HydrophobicContact CG1-CD2 3.69Å; V50-Y54 HydrophobicContact CG1-CE2 3.98Å; V50-Y54 WeakPolarHBondContact O-CD2 2.99Å; V50-Y54 PolarHBondContact O-N 2.89Å; V50-F68 HydrophobicContact CB-CZ 4.48Å; V50-F68 HydrophobicContact CG2-CE1 4.19Å; V50-F68 HydrophobicContact CG2-CZ 4.02Å; V50-I72 HydrophobicContact CG2-CD1 3.84Å
51F53.1Low48.6Very low14 Ų1442.9 Ų42.96%0.06121%0.212CC..Hα-helixtrans-59.4-47.5176.1-176.3-89.7000110.9F47 Y53 Y54 S55 V56 F149 F152 M165F47-F51 HydrophobicContact CD1-CB 4.28Å; F47-F51 HydrophobicContact CE1-CB 3.91Å; F47-F51 HydrophobicContact CE1-CD2 4.32Å; F47-F51 HydrophobicContact CE1-CG 4.22Å; F47-F51 HydrophobicContact CZ-CB 4.41Å; F47-F51 HydrophobicContact CZ-CD2 4.28Å; F47-F51 VanDerWaalsContact O-CB 3.3Å; F47-F51 WeakPolarHBondContact O-CB 3.42Å; F47-F51 PolarHBondContact O-N 2.98Å; F51-Y53 VanDerWaalsContact C-N 3.27Å; F51-Y53 PolarHBondContact O-N 3.09Å; F51-Y54 PolarHBondContact O-N 3.2Å; F51-S55 WeakPolarHBondContact CD2-OG 3.23Å; F51-S55 WeakPolarHBondContact CE2-OG 3.39Å; F51-S55 VanDerWaalsContact CZ-CB 3.47Å; F51-S55 WeakPolarHBondContact O-CA 3.25Å; F51-S55 WeakPolarHBondContact O-CB 3.43Å; F51-S55 PolarHBondContact O-N 3.37Å; F51-S55 PolarHBondContact O-OG 3.23Å; F51-V56 HydrophobicContact CE1-CG2 4.28Å; F51-F149 AromaticContact CE1-CE2 3.77Å; F51-F149 HydrophobicContact CE1-CE2 3.77Å; F51-F149 AromaticContact CE1-CZ 3.51Å; F51-F149 HydrophobicContact CE1-CZ 3.51Å; F51-F149 HydrophobicContact CE2-CE2 4.36Å; F51-F149 HydrophobicContact CZ-CD2 4.17Å; F51-F149 HydrophobicContact CZ-CE1 4.35Å; F51-F149 AromaticContact CZ-CE2 3.26Å; F51-F149 HydrophobicContact CZ-CE2 3.26Å; F51-F149 AromaticContact CZ-CZ 3.37Å; F51-F149 HydrophobicContact CZ-CZ 3.37Å; F51-F152 HydrophobicContact CD2-CE1 4.49Å; F51-F152 HydrophobicContact CE2-CD1 4.44Å; F51-F152 AromaticContact CE2-CE1 3.86Å; F51-F152 HydrophobicContact CE2-CE1 3.86Å; F51-M165 HydrophobicContact CB-SD 4.26Å; F51-M165 HydrophobicContact CD1-CE 3.27Å; F51-M165 HydrophobicContact CD1-SD 3.23Å; F51-M165 WeakPolarHBondContact CD1-SD 3.43Å; F51-M165 HydrophobicContact CD2-CE 3.58Å; F51-M165 HydrophobicContact CD2-SD 4.37Å; F51-M165 HydrophobicContact CE1-CE 3.07Å; F51-M165 HydrophobicContact CE1-SD 3.53Å; F51-M165 VanDerWaalsContact CE1-SD 3.53Å; F51-M165 HydrophobicContact CE2-CE 3.38Å; F51-M165 HydrophobicContact CG-CE 3.49Å; F51-M165 VanDerWaalsContact CG-CE 3.49Å; F51-M165 HydrophobicContact CG-SD 3.68Å; F51-M165 HydrophobicContact CZ-CE 3.09Å; F51-M165 HydrophobicContact CZ-SD 4.19Å
52V50.2Low48.5Very low8 Ų842.9 Ų42.95%0.04821%0.209CC..Iπ-helixtrans-60.2-41175.71660000111.2L48 V50 V56 L57 L104 Y168L48-V52 VanDerWaalsContact O-CB 3.23Å; L48-V52 WeakPolarHBondContact O-CB 3.49Å; L48-V52 WeakPolarHBondContact O-CG2 3.23Å; L48-V52 PolarHBondContact O-N 3.17Å; V50-V52 VanDerWaalsContact C-N 3.33Å; V50-V52 PolarHBondContact O-N 2.73Å; V52-V56 PolarHBondContact O-N 3.46Å; V52-L57 PolarHBondContact O-N 2.73Å; V52-L57 VanDerWaalsContact O-N 3.11Å; V52-L104 HydrophobicContact CB-CD1 4.38Å; V52-L104 HydrophobicContact CG1-CD1 4.15Å; V52-L104 HydrophobicContact CG1-CD2 4.15Å; V52-L104 HydrophobicContact CG2-CD1 3.78Å; V52-Y168 HydrophobicContact CB-CE2 4.31Å; V52-Y168 HydrophobicContact CG1-CE2 3.87Å; V52-Y168 WeakPolarHBondContact CG1-OH 3.38Å; V52-Y168 HydrophobicContact CG2-CD2 3.78Å; V52-Y168 HydrophobicContact CG2-CE1 4.36Å; V52-Y168 HydrophobicContact CG2-CE2 3.48Å; V52-Y168 VanDerWaalsContact CG2-CE2 3.48Å; V52-Y168 HydrophobicContact CG2-CG 4.27Å
53Y51.5Low48.5Very low8 Ų841.8 Ų41.83%0.03120%0.202CC..Iπ-helixtrans-62.4-42.6178.5-175-96.6000113.2L20 L49 V50 F51 L57 L63 S65 F68L20-Y53 HydrophobicContact CD1-CD1 3.72Å; L20-Y53 HydrophobicContact CD1-CE1 3.88Å; L20-Y53 HydrophobicContact CD2-CE1 4.26Å; L49-Y53 VanDerWaalsContact O-CB 3.28Å; L49-Y53 WeakPolarHBondContact O-CB 3.46Å; L49-Y53 PolarHBondContact O-N 3.31Å; V50-Y53 WeakPolarHBondContact O-CB 3.34Å; V50-Y53 PolarHBondContact O-N 3.14Å; V50-Y53 VanDerWaalsContact O-N 3.15Å; F51-Y53 VanDerWaalsContact C-N 3.27Å; F51-Y53 PolarHBondContact O-N 3.09Å; Y53-L57 HydrophobicContact CD2-CD1 4.22Å; Y53-L63 HydrophobicContact CD2-CB 4.28Å; Y53-L63 HydrophobicContact CE2-CB 4.03Å; Y53-S65 PolarHBondContact OH-OG 3.25Å; Y53-F68 HydrophobicContact CD1-CE1 4.43Å; Y53-F68 HydrophobicContact CD2-CB 4.4Å; Y53-F68 HydrophobicContact CD2-CD1 4.21Å; Y53-F68 AromaticContact CD2-CD2 3.95Å; Y53-F68 HydrophobicContact CD2-CD2 3.95Å; Y53-F68 HydrophobicContact CD2-CE2 4.24Å; Y53-F68 AromaticContact CD2-CG 3.91Å; Y53-F68 HydrophobicContact CD2-CG 3.91Å; Y53-F68 HydrophobicContact CE2-CB 4.33Å; Y53-F68 HydrophobicContact CE2-CG 4.27Å; Y53-F68 HydrophobicContact CG-CD1 4.2Å; Y53-F68 HydrophobicContact CG-CD2 4.34Å; Y53-F68 HydrophobicContact CG-CE1 4.1Å; Y53-F68 HydrophobicContact CG-CE2 4.22Å; Y53-F68 HydrophobicContact CG-CG 4.32Å; Y53-F68 HydrophobicContact CG-CZ 4.12Å
54Y50.3Low48.6Very low63 Ų6347.7 Ų47.725%0.24723%0.23CC..Iπ-helixtrans-91.6-44.7-176.5-84.2-81.1000114.7C17 L20 V50 F51C17-Y54 HydrophobicContact CB-CD2 4.12Å; C17-Y54 HydrophobicContact CB-CE1 4.45Å; C17-Y54 HydrophobicContact CB-CE2 3.29Å; C17-Y54 VanDerWaalsContact CB-CZ 3.49Å; C17-Y54 WeakPolarHBondContact CB-OH 3.48Å; C17-Y54 WeakPolarHBondContact SG-CD2 3.41Å; C17-Y54 WeakPolarHBondContact SG-CE2 3.41Å; L20-Y54 HydrophobicContact CD1-CD2 4.2Å; L20-Y54 HydrophobicContact CD1-CE2 3.24Å; L20-Y54 HydrophobicContact CG-CE2 4Å; L20-Y54 WeakPolarHBondContact CG-OH 3.4Å; V50-Y54 HydrophobicContact CG1-CD2 3.69Å; V50-Y54 HydrophobicContact CG1-CE2 3.98Å; V50-Y54 WeakPolarHBondContact O-CD2 2.99Å; V50-Y54 PolarHBondContact O-N 2.89Å; F51-Y54 PolarHBondContact O-N 3.2Å
55S46.5Very low49Very low60 Ų6049.4 Ų49.442%0.4224%0.244SC..Iπ-helixtrans-92.1-18.6-167-54.80000112.8F51F51-S55 WeakPolarHBondContact CD2-OG 3.23Å; F51-S55 WeakPolarHBondContact CE2-OG 3.39Å; F51-S55 VanDerWaalsContact CZ-CB 3.47Å; F51-S55 WeakPolarHBondContact O-CA 3.25Å; F51-S55 WeakPolarHBondContact O-CB 3.43Å; F51-S55 PolarHBondContact O-N 3.37Å; F51-S55 PolarHBondContact O-OG 3.23Å
56V42.2Very low49.5Very low12 Ų1252.3 Ų52.37%0.07326%0.264CS..Iπ-helixtrans-115.7-53.3-175.5-171.30000111.3F51 V52 P58 Y168 Y172F51-V56 HydrophobicContact CE1-CG2 4.28Å; V52-V56 PolarHBondContact O-N 3.46Å; V56-P58 WeakPolarHBondContact O-CD 3.38Å; V56-P58 VanDerWaalsContact O-CG 3.25Å; V56-P58 WeakPolarHBondContact O-CG 3.28Å; V56-Y168 HydrophobicContact CB-CD1 4.36Å; V56-Y168 HydrophobicContact CB-CE1 3.33Å; V56-Y168 VanDerWaalsContact CB-OH 3.29Å; V56-Y168 WeakPolarHBondContact CB-OH 3.37Å; V56-Y168 HydrophobicContact CG1-CD1 4.32Å; V56-Y168 HydrophobicContact CG1-CE1 3.15Å; V56-Y168 WeakPolarHBondContact CG1-OH 3.34Å; V56-Y168 HydrophobicContact CG2-CD1 3.53Å; V56-Y168 HydrophobicContact CG2-CE1 2.95Å; V56-Y172 HydrophobicContact CG1-CD1 3.39Å; V56-Y172 HydrophobicContact CG1-CD2 4.02Å; V56-Y172 HydrophobicContact CG1-CE1 3.96Å; V56-Y172 HydrophobicContact CG1-CG 3.41Å; V56-Y172 VanDerWaalsContact CG1-CG 3.41Å
57L42.5Very low49.9Very low18 Ų1855.9 Ų55.99%0.09428%0.279CS..  trans-60.3103.2-175.6-66.7178.1000108.3V52 Y53 S59 I62V52-L57 PolarHBondContact O-N 2.73Å; V52-L57 VanDerWaalsContact O-N 3.11Å; Y53-L57 HydrophobicContact CD2-CD1 4.22Å; L57-S59 PolarHBondContact O-N 3.2Å; L57-I62 HydrophobicContact CD1-CB 4.42Å; L57-I62 HydrophobicContact CD2-CB 4.37Å; L57-I62 HydrophobicContact CD2-CD1 4Å; L57-I62 HydrophobicContact CD2-CG2 4.24Å
58P40.8Very low50.3Low125 Ų12556 Ų5681%0.81228%0.28SS*.SBendtrans-69.3-10.8-170.8-14.330.4000110.9V56V56-P58 WeakPolarHBondContact O-CD 3.38Å; V56-P58 VanDerWaalsContact O-CG 3.25Å; V56-P58 WeakPolarHBondContact O-CG 3.28Å
59S36.5Very low50.8Low48 Ų4857.1 Ų57.134%0.33629%0.286SS..SBendtrans-126.6121.3169.679.10000109.2L57 R61 I62L57-S59 PolarHBondContact O-N 3.2Å; S59-R61 PolarHBondContact O-N 3.21Å; S59-I62 PolarHBondContact O-N 2.93Å; S59-I62 WeakPolarHBondContact OG-CD1 3.47Å; S59-I62 WeakPolarHBondContact OG-CG1 3.19Å
60R40Very low51.5Low172 Ų17261 Ų6165%0.64931%0.307SS*.THydrogen-bonded Turntrans-56.54.1167.3-61.4179.9180-174.4-1.8113.7
61R39.3Very low52.1Low234 Ų23461.3 Ų61.388%0.88331%0.308SS*.THydrogen-bonded Turntrans-89.4-9.8-176.5-66.5-173.1177.9-174.2-0114.2S59S59-R61 PolarHBondContact O-N 3.21Å
62I45Very low52.7Low44 Ų4460.7 Ų60.723%0.22631%0.305CS..SBendtrans-87.8-31.7-166.8-64.5163.8000113.1L57 S59 N98 N100L57-I62 HydrophobicContact CD1-CB 4.42Å; L57-I62 HydrophobicContact CD2-CB 4.37Å; L57-I62 HydrophobicContact CD2-CD1 4Å; L57-I62 HydrophobicContact CD2-CG2 4.24Å; S59-I62 PolarHBondContact O-N 2.93Å; S59-I62 WeakPolarHBondContact OG-CD1 3.47Å; S59-I62 WeakPolarHBondContact OG-CG1 3.19Å; I62-N98 PolarHBondContact O-ND2 2.9Å; I62-N100 HydrophobicContact CG2-CB 3.82Å; I62-N100 WeakPolarHBondContact CG2-ND2 3.22Å
63L48.6Very low53.4Low15 Ų1565 Ų658%0.07932%0.32CS..SBendtrans-118.9122.4166-115.1106.1000107.8Y53 S65 F68 L96Y53-L63 HydrophobicContact CD2-CB 4.28Å; Y53-L63 HydrophobicContact CE2-CB 4.03Å; L63-S65 PolarHBondContact O-N 3.14Å; L63-S65 VanDerWaalsContact O-N 3.15Å; L63-F68 HydrophobicContact CB-CB 4.47Å; L63-F68 HydrophobicContact CD2-CB 3.67Å; L63-F68 HydrophobicContact CD2-CD2 3.93Å; L63-F68 HydrophobicContact CD2-CG 4.3Å; L63-L96 HydrophobicContact CD1-CD2 4.03Å; L63-L96 HydrophobicContact CD2-CD2 3.7Å; L63-L96 HydrophobicContact CG-CD2 4.41Å
64E54.9Low54.4Low143 Ų14365.9 Ų65.967%0.66833%0.326SS*.  trans-52.5125.6167.5-68.4-176.1171.700108.1S66 K67 F68E64-S66 PolarHBondContact O-N 3.45Å; E64-S66 VanDerWaalsContact O-N 3.1Å; E64-K67 HydrophobicContact CB-CB 4.24Å; E64-K67 PolarHBondContact O-N 2.85Å; E64-F68 PolarHBondContact O-N 3.36Å
65S58.4Low55.2Low56 Ų5663 Ų6339%0.39232%0.315SS..Hα-helixtrans-52.4-37.1-179.3-47.80000110.5Y53 L63 F68 L69Y53-S65 PolarHBondContact OH-OG 3.25Å; L63-S65 PolarHBondContact O-N 3.14Å; L63-S65 VanDerWaalsContact O-N 3.15Å; S65-F68 PolarHBondContact O-N 3.25Å; S65-L69 WeakPolarHBondContact O-CB 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.42Å; S65-L69 PolarHBondContact O-N 3.37Å
66S62.6Low55.8Low63 Ų6361.7 Ų61.744%0.44130%0.303SS..Hα-helixtrans-58.9-47.5174.256.10000113.5E64 L69 N70E64-S66 PolarHBondContact O-N 3.45Å; E64-S66 VanDerWaalsContact O-N 3.1Å; S66-L69 PolarHBondContact O-N 2.84Å; S66-N70 WeakPolarHBondContact O-CB 3.33Å; S66-N70 PolarHBondContact O-N 3.35Å; S66-N70 PolarHBondContact O-ND2 2.88Å
67K64.6Low56.9Low74 Ų7465.2 Ų65.232%0.32232%0.317SS..Hα-helixtrans-66.5-41178.4-171.9173-178.3175.20111.2E64 N70 I71 S95 S97E64-K67 HydrophobicContact CB-CB 4.24Å; E64-K67 PolarHBondContact O-N 2.85Å; K67-N70 PolarHBondContact O-N 3.24Å; K67-I71 HydrophobicContact CG-CD1 4.39Å; K67-I71 VanDerWaalsContact O-CG1 3.31Å; K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 3.15Å; K67-S95 WeakPolarHBondContact CE-O 3.47Å; K67-S95 PolarHBondContact NZ-O 2.79Å; K67-S97 PolarHBondContact NZ-OG 3.01Å
68F63.7Low58.2Low6 Ų671 Ų713%0.02634%0.342CS..Hα-helixtrans-60.8-48.1175.5-178.7-102.9000111.7L20 L49 V50 Y53 L63 E64 S65 N70 I71 I72L20-F68 HydrophobicContact CD1-CD1 3.87Å; L20-F68 HydrophobicContact CD1-CE1 3.58Å; L20-F68 HydrophobicContact CD2-CD1 4.34Å; L49-F68 VanDerWaalsContact C-CZ 3.41Å; L49-F68 HydrophobicContact CB-CE2 3.74Å; L49-F68 HydrophobicContact CB-CZ 3.87Å; L49-F68 HydrophobicContact CD2-CE2 4.39Å; L49-F68 VanDerWaalsContact O-CE2 3.28Å; L49-F68 WeakPolarHBondContact O-CE2 3.39Å; L49-F68 VanDerWaalsContact O-CZ 3.26Å; L49-F68 WeakPolarHBondContact O-CZ 3.5Å; V50-F68 HydrophobicContact CB-CZ 4.48Å; V50-F68 HydrophobicContact CG2-CE1 4.19Å; V50-F68 HydrophobicContact CG2-CZ 4.02Å; Y53-F68 HydrophobicContact CD1-CE1 4.43Å; Y53-F68 HydrophobicContact CD2-CB 4.4Å; Y53-F68 HydrophobicContact CD2-CD1 4.21Å; Y53-F68 AromaticContact CD2-CD2 3.95Å; Y53-F68 HydrophobicContact CD2-CD2 3.95Å; Y53-F68 HydrophobicContact CD2-CE2 4.24Å; Y53-F68 AromaticContact CD2-CG 3.91Å; Y53-F68 HydrophobicContact CD2-CG 3.91Å; Y53-F68 HydrophobicContact CE2-CB 4.33Å; Y53-F68 HydrophobicContact CE2-CG 4.27Å; Y53-F68 HydrophobicContact CG-CD1 4.2Å; Y53-F68 HydrophobicContact CG-CD2 4.34Å; Y53-F68 HydrophobicContact CG-CE1 4.1Å; Y53-F68 HydrophobicContact CG-CE2 4.22Å; Y53-F68 HydrophobicContact CG-CG 4.32Å; Y53-F68 HydrophobicContact CG-CZ 4.12Å; L63-F68 HydrophobicContact CB-CB 4.47Å; L63-F68 HydrophobicContact CD2-CB 3.67Å; L63-F68 HydrophobicContact CD2-CD2 3.93Å; L63-F68 HydrophobicContact CD2-CG 4.3Å; E64-F68 PolarHBondContact O-N 3.36Å; S65-F68 PolarHBondContact O-N 3.25Å; F68-N70 PolarHBondContact O-N 3.21Å; F68-I71 WeakPolarHBondContact O-CB 3.42Å; F68-I71 PolarHBondContact O-N 2.83Å; F68-I72 HydrophobicContact CD1-CD1 3.84Å; F68-I72 HydrophobicContact CE1-CD1 3.18Å; F68-I72 HydrophobicContact CE1-CG1 4.22Å; F68-I72 HydrophobicContact CE2-CD1 4.4Å; F68-I72 HydrophobicContact CZ-CD1 3.51Å; F68-I72 HydrophobicContact CZ-CG1 4.31Å; F68-I72 PolarHBondContact O-N 3.37Å
69L63.5Low59.2Low29 Ų2967.5 Ų67.515%0.15233%0.328CS..Hα-helixtrans-63.1-40.2176.5-70.3-178.1000113L20 S65 S66 I71 I72 R73L20-L69 HydrophobicContact CB-CD2 3.64Å; L20-L69 HydrophobicContact CD2-CD1 4.08Å; L20-L69 HydrophobicContact CD2-CD2 3.71Å; L20-L69 HydrophobicContact CD2-CG 3.87Å; L20-L69 HydrophobicContact CG-CD2 4.15Å; L20-L69 WeakPolarHBondContact O-CD2 3.41Å; S65-L69 WeakPolarHBondContact O-CB 3.31Å; S65-L69 WeakPolarHBondContact O-CG 3.42Å; S65-L69 PolarHBondContact O-N 3.37Å; S66-L69 PolarHBondContact O-N 2.84Å; L69-I71 VanDerWaalsContact C-N 3.28Å; L69-I71 PolarHBondContact O-N 2.98Å; L69-I72 PolarHBondContact O-N 3.3Å; L69-R73 WeakPolarHBondContact O-CB 3.46Å; L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.45Å; L69-R73 PolarHBondContact O-N 3.41Å
70N70.4Confident60.8Low86 Ų8669.6 Ų69.646%0.4633%0.331SS..Hα-helixtrans-63-36175.6-74.3-23000112S66 K67 F68 R73 D74S66-N70 WeakPolarHBondContact O-CB 3.33Å; S66-N70 PolarHBondContact O-N 3.35Å; S66-N70 PolarHBondContact O-ND2 2.88Å; K67-N70 PolarHBondContact O-N 3.24Å; F68-N70 PolarHBondContact O-N 3.21Å; N70-R73 PolarHBondContact O-N 3.28Å; N70-D74 VanDerWaalsContact O-CB 3.28Å; N70-D74 WeakPolarHBondContact O-CB 3.45Å; N70-D74 PolarHBondContact O-N 3.05Å
71I70.2Confident61.9Low9 Ų961.9 Ų61.95%0.04631%0.305CS..Hα-helixtrans-66.7-46.4175-70.2170.1000110.7L49 K67 F68 L69 R73 D74 I75 F91 L92 L96L49-I71 HydrophobicContact CD1-CG2 4.45Å; K67-I71 HydrophobicContact CG-CD1 4.39Å; K67-I71 VanDerWaalsContact O-CG1 3.31Å; K67-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 PolarHBondContact O-N 3.15Å; F68-I71 WeakPolarHBondContact O-CB 3.42Å; F68-I71 PolarHBondContact O-N 2.83Å; L69-I71 VanDerWaalsContact C-N 3.28Å; L69-I71 PolarHBondContact O-N 2.98Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.27Å; I71-D74 PolarHBondContact O-N 3.45Å; I71-I75 HydrophobicContact CG2-CD1 3.92Å; I71-I75 VanDerWaalsContact O-CG1 3.28Å; I71-I75 WeakPolarHBondContact O-CG1 3.14Å; I71-I75 PolarHBondContact O-N 2.94Å; I71-F91 HydrophobicContact CG2-CE1 4.03Å; I71-L92 HydrophobicContact CG2-CD2 3.83Å; I71-L96 HydrophobicContact CD1-CD2 3.27Å; I71-L96 HydrophobicContact CD1-CG 3.96Å
72I65.1Low62.9Low1 Ų152.1 Ų52.11%0.00528%0.278CS..Hα-helixtrans-58.9-45.4175.4-72.7177.9000111F21 T25 V46 V50 F68 L69 I75 L76F21-I72 HydrophobicContact CE1-CD1 4.07Å; F21-I72 HydrophobicContact CE1-CG2 3.87Å; F21-I72 HydrophobicContact CZ-CD1 3.86Å; T25-I72 HydrophobicContact CG2-CG2 3.85Å; V46-I72 HydrophobicContact CG1-CD1 4.3Å; V46-I72 HydrophobicContact CG1-CG1 4.44Å; V46-I72 HydrophobicContact CG1-CG2 4.14Å; V46-I72 HydrophobicContact CG2-CG2 4.33Å; V50-I72 HydrophobicContact CG2-CD1 3.84Å; F68-I72 HydrophobicContact CD1-CD1 3.84Å; F68-I72 HydrophobicContact CE1-CD1 3.18Å; F68-I72 HydrophobicContact CE1-CG1 4.22Å; F68-I72 HydrophobicContact CE2-CD1 4.4Å; F68-I72 HydrophobicContact CZ-CD1 3.51Å; F68-I72 HydrophobicContact CZ-CG1 4.31Å; F68-I72 PolarHBondContact O-N 3.37Å; L69-I72 PolarHBondContact O-N 3.3Å; I72-I75 PolarHBondContact O-N 3.17Å; I72-L76 HydrophobicContact CG2-CD1 3.57Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 WeakPolarHBondContact O-CG 3.32Å; I72-L76 PolarHBondContact O-N 3Å
73R65.5Low63.4Low98 Ų9858.7 Ų58.737%0.3731%0.307SS..Hα-helixtrans-64.6-40.8178-74.4180171.9168-3.2112.1D22 L69 N70 I71 I75 L76 F77D22-R73 IonicContact OD2-CZ 2.91Å; D22-R73 IonicContact OD2-NE 2.62Å; D22-R73 IonicContact OD2-NH2 3.09Å; D22-R73 PolarHBondContact OD2-NH2 2.75Å; L69-R73 WeakPolarHBondContact O-CB 3.46Å; L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.45Å; L69-R73 PolarHBondContact O-N 3.41Å; N70-R73 PolarHBondContact O-N 3.28Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 3.27Å; R73-I75 VanDerWaalsContact C-N 3.3Å; R73-I75 PolarHBondContact O-N 3.11Å; R73-L76 PolarHBondContact O-N 3.37Å; R73-F77 HydrophobicContact CB-CD2 3.94Å; R73-F77 HydrophobicContact CB-CE2 4.4Å; R73-F77 HydrophobicContact CG-CD2 4.06Å; R73-F77 HydrophobicContact CG-CE2 4.01Å; R73-F77 WeakPolarHBondContact O-CB 3.35Å; R73-F77 WeakPolarHBondContact O-CD2 3.33Å; R73-F77 PolarHBondContact O-N 3.13Å
74D72.7Confident63.6Low27 Ų2760.1 Ų60.114%0.14432%0.318CS..Hα-helixtrans-62.9-38.1175.4-91.217.9000111.4N70 I71 K78 G79 K80 F91N70-D74 VanDerWaalsContact O-CB 3.28Å; N70-D74 WeakPolarHBondContact O-CB 3.45Å; N70-D74 PolarHBondContact O-N 3.05Å; I71-D74 PolarHBondContact O-N 3.45Å; D74-K78 CarbonylContact O-C 3.54Å; D74-K78 WeakPolarHBondContact O-CA 3.47Å; D74-K78 VanDerWaalsContact O-CB 3.31Å; D74-K78 WeakPolarHBondContact O-CB 3.29Å; D74-K78 PolarHBondContact O-N 3.43Å; D74-K78 VanDerWaalsContact OD1-CD 3.32Å; D74-K78 WeakPolarHBondContact OD1-CD 3.48Å; D74-K78 VanDerWaalsContact OD1-CE 3.29Å; D74-K78 WeakPolarHBondContact OD1-CE 3.49Å; D74-K78 IonicContact OD1-NZ 2.73Å; D74-K78 PolarHBondContact OD1-NZ 3.35Å; D74-G79 PolarHBondContact O-N 2.82Å; D74-K80 HydrophobicContact CB-CB 4.31Å; D74-K80 HydrophobicContact CB-CD 4.09Å; D74-K80 HydrophobicContact CB-CG 4.4Å; D74-K80 WeakPolarHBondContact O-CB 3.32Å; D74-K80 PolarHBondContact O-N 3.29Å; D74-K80 WeakPolarHBondContact OD2-CD 3.49Å; D74-K80 WeakPolarHBondContact OD2-CE 3.45Å; D74-K80 IonicContact OD2-NZ 3.99Å; D74-K80 PolarHBondContact OD2-NZ 2.81Å; D74-F91 HydrophobicContact CB-CZ 3.98Å
75I65.8Low63.6Low2 Ų255.4 Ų55.41%0.0130%0.296CS..Hα-helixtrans-66.5-51175.1-70.2166.1000110.9T42 V46 L49 I71 I72 R73 G79 K80 L88 F91 L92T42-I75 HydrophobicContact CG2-CG2 3.32Å; V46-I75 HydrophobicContact CG2-CG2 4.18Å; L49-I75 HydrophobicContact CD1-CD1 3.71Å; I71-I75 HydrophobicContact CG2-CD1 3.92Å; I71-I75 VanDerWaalsContact O-CG1 3.28Å; I71-I75 WeakPolarHBondContact O-CG1 3.14Å; I71-I75 PolarHBondContact O-N 2.94Å; I72-I75 PolarHBondContact O-N 3.17Å; R73-I75 VanDerWaalsContact C-N 3.3Å; R73-I75 PolarHBondContact O-N 3.11Å; I75-G79 WeakPolarHBondContact O-CA 3.48Å; I75-G79 PolarHBondContact O-N 3.46Å; I75-K80 WeakPolarHBondContact CA-O 3.46Å; I75-K80 WeakPolarHBondContact CG1-O 3.3Å; I75-L88 HydrophobicContact CD1-CD1 4.08Å; I75-L88 HydrophobicContact CG1-CD1 4.28Å; I75-F91 HydrophobicContact CD1-CD1 4.38Å; I75-F91 HydrophobicContact CD1-CE1 3.96Å; I75-F91 HydrophobicContact CG1-CD1 4.06Å; I75-F91 HydrophobicContact CG1-CE1 3.54Å; I75-F91 HydrophobicContact CG1-CZ 4.49Å; I75-L92 HydrophobicContact CD1-CD2 4.14Å
76L59.7Low63.5Low33 Ų3355.5 Ų55.517%0.17330%0.296CS..Hα-helixtrans-76.3-42.7-172.3-70.4171.1000113.8T25 A28 L29 T42 V46 I72 R73T25-L76 HydrophobicContact CG2-CD1 3.4Å; T25-L76 VanDerWaalsContact CG2-CD1 3.4Å; A28-L76 HydrophobicContact CB-CB 4.38Å; L29-L76 HydrophobicContact CD1-CD1 4.37Å; L29-L76 HydrophobicContact CD2-CD1 4.08Å; L29-L76 HydrophobicContact CD2-CD2 3.72Å; L29-L76 HydrophobicContact CG-CD1 3.84Å; L29-L76 HydrophobicContact CG-CD2 4.13Å; T42-L76 HydrophobicContact CG2-CD2 3.91Å; V46-L76 HydrophobicContact CG2-CD1 4.26Å; V46-L76 HydrophobicContact CG2-CD2 4.05Å; V46-L76 HydrophobicContact CG2-CG 4.03Å; I72-L76 HydrophobicContact CG2-CD1 3.57Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.38Å; I72-L76 WeakPolarHBondContact O-CG 3.32Å; I72-L76 PolarHBondContact O-N 3Å; R73-L76 PolarHBondContact O-N 3.37Å
77F64.8Low63.4Low86 Ų8657 Ų5738%0.37730%0.296SS..Hα-helixtrans-100.8-28.9-171.6-61.2-66.3000113.5E24 A28 R73E24-F77 HydrophobicContact CB-CZ 4.3Å; E24-F77 HydrophobicContact CG-CE1 3.93Å; E24-F77 HydrophobicContact CG-CZ 3.79Å; A28-F77 HydrophobicContact CB-CE1 3.81Å; A28-F77 HydrophobicContact CB-CZ 4.02Å; R73-F77 HydrophobicContact CB-CD2 3.94Å; R73-F77 HydrophobicContact CB-CE2 4.4Å; R73-F77 HydrophobicContact CG-CD2 4.06Å; R73-F77 HydrophobicContact CG-CE2 4.01Å; R73-F77 WeakPolarHBondContact O-CB 3.35Å; R73-F77 WeakPolarHBondContact O-CD2 3.33Å; R73-F77 PolarHBondContact O-N 3.13Å
78K70.5Confident63.4Low141 Ų14153.8 Ų53.861%0.61328%0.283SS*.Hα-helixtrans-103.4-2.5178.6-55.8-178.9-171.4155.40113.1D74 K80D74-K78 CarbonylContact O-C 3.54Å; D74-K78 WeakPolarHBondContact O-CA 3.47Å; D74-K78 VanDerWaalsContact O-CB 3.31Å; D74-K78 WeakPolarHBondContact O-CB 3.29Å; D74-K78 PolarHBondContact O-N 3.43Å; D74-K78 VanDerWaalsContact OD1-CD 3.32Å; D74-K78 WeakPolarHBondContact OD1-CD 3.48Å; D74-K78 VanDerWaalsContact OD1-CE 3.29Å; D74-K78 WeakPolarHBondContact OD1-CE 3.49Å; D74-K78 IonicContact OD1-NZ 2.73Å; D74-K78 PolarHBondContact OD1-NZ 3.35Å; K78-K80 HydrophobicContact CB-CG 4.12Å; K78-K80 PolarHBondContact O-N 3.26Å
79G62.4Low63.3Low51 Ų5153.6 Ų53.653%0.52628%0.282SS..  trans61.924.4-177.500000113.4D74 I75D74-G79 PolarHBondContact O-N 2.82Å; I75-G79 WeakPolarHBondContact O-CA 3.48Å; I75-G79 PolarHBondContact O-N 3.46Å
80K68.3Low63.6Low92 Ų9255.5 Ų55.540%0.430%0.298SS..THydrogen-bonded Turntrans-72.5143.8178-68.8-161.9-173164.80110.7D74 I75 K78 F91D74-K80 HydrophobicContact CB-CB 4.31Å; D74-K80 HydrophobicContact CB-CD 4.09Å; D74-K80 HydrophobicContact CB-CG 4.4Å; D74-K80 WeakPolarHBondContact O-CB 3.32Å; D74-K80 PolarHBondContact O-N 3.29Å; D74-K80 WeakPolarHBondContact OD2-CD 3.49Å; D74-K80 WeakPolarHBondContact OD2-CE 3.45Å; D74-K80 IonicContact OD2-NZ 3.99Å; D74-K80 PolarHBondContact OD2-NZ 2.81Å; I75-K80 WeakPolarHBondContact CA-O 3.46Å; I75-K80 WeakPolarHBondContact CG1-O 3.3Å; K78-K80 HydrophobicContact CB-CG 4.12Å; K78-K80 PolarHBondContact O-N 3.26Å; K80-F91 HydrophobicContact CB-CD1 4.48Å; K80-F91 HydrophobicContact CB-CD2 3.9Å; K80-F91 HydrophobicContact CB-CE1 4.2Å; K80-F91 HydrophobicContact CB-CE2 3.57Å; K80-F91 HydrophobicContact CB-CG 4.34Å; K80-F91 HydrophobicContact CB-CZ 3.74Å; K80-F91 HydrophobicContact CD-CD2 4.23Å; K80-F91 HydrophobicContact CD-CE2 3.5Å; K80-F91 VanDerWaalsContact CD-CE2 3.5Å; K80-F91 HydrophobicContact CD-CZ 4.09Å; K80-F91 HydrophobicContact CG-CE2 4.2Å
81G63.9Low63.9Low10 Ų1052.8 Ų52.810%0.10328%0.282CS..THydrogen-bonded Turntrans98.1-1.8-168.500000114E87 L88G81-E87 CarbonylContact O-C 3.21Å; G81-E87 VanDerWaalsContact O-CB 3.22Å; G81-E87 WeakPolarHBondContact O-CB 3.3Å; G81-L88 WeakPolarHBondContact O-CA 3.5Å; G81-L88 WeakPolarHBondContact O-CB 3.19Å; G81-L88 PolarHBondContact O-N 3.42Å
82G59.6Low63.9Low29 Ų2952.3 Ų52.330%0.29928%0.28SS..  trans70.5-164.9167.600000114.6E87G82-E87 WeakPolarHBondContact CA-OE2 3.5Å
83H57Low64.2Low181 Ų18156.4 Ų56.484%0.83830%0.302SS*.SBendtrans-98.3-7.6-177.9-60.4-64.4000112.6E87H83-E87 PolarHBondContact N-OE2 2.94Å
84S52.9Low64.7Low46 Ų4655.7 Ų55.732%0.32232%0.316SS..SBendtrans-119.3151.6-178.667.90000112.6S86 E87 L88S84-S86 PolarHBondContact O-N 3.28Å; S84-E87 PolarHBondContact N-OE2 3.38Å; S84-E87 PolarHBondContact O-N 2.96Å; S84-E87 WeakPolarHBondContact OG-CB 3.41Å; S84-E87 VanDerWaalsContact OG-CD 3.3Å; S84-E87 WeakPolarHBondContact OG-CG 3.18Å; S84-E87 PolarHBondContact OG-N 3.46Å; S84-E87 PolarHBondContact OG-OE2 3.48Å; S84-L88 PolarHBondContact O-N 3.01Å; S84-L88 VanDerWaalsContact O-N 3.14Å
85F53.1Low64.7Low44 Ų4455.7 Ų55.719%0.19332%0.319CS..Hα-helixtrans-57.9-31.3175.4-171.1-102.3000112.6L88 C89 L108 M112F85-L88 PolarHBondContact O-N 3.16Å; F85-C89 VanDerWaalsContact CE1-SG 3.59Å; F85-C89 PolarHBondContact O-N 3.33Å; F85-C89 PolarHBondContact O-SG 3.12Å; F85-L108 HydrophobicContact CE1-CB 4.45Å; F85-L108 WeakPolarHBondContact CE1-O 3.44Å; F85-L108 HydrophobicContact CE2-CD2 4.4Å; F85-L108 HydrophobicContact CZ-CB 3.99Å; F85-L108 HydrophobicContact CZ-CD2 3.98Å; F85-M112 HydrophobicContact CD1-CB 4.25Å; F85-M112 HydrophobicContact CD1-CG 4.11Å; F85-M112 HydrophobicContact CD1-SD 4.34Å; F85-M112 HydrophobicContact CE1-CB 4.19Å
86S57.9Low64.9Low58 Ų5856 Ų5641%0.40632%0.32SS..Hα-helixtrans-69.8-45.7177.3-177.30000113.1S84 L88 C89 S90S84-S86 PolarHBondContact O-N 3.28Å; S86-L88 PolarHBondContact O-N 3Å; S86-C89 PolarHBondContact O-N 3.14Å; S86-S90 WeakPolarHBondContact O-CB 3.13Å; S86-S90 PolarHBondContact O-N 3.13Å; S86-S90 PolarHBondContact O-OG 3.45Å
87E59.7Low64.7Low94 Ų9459 Ų5944%0.43934%0.344SS..Hα-helixtrans-59.4-37.5174-74.6166.8142.700110.7G81 G82 H83 S84 S90 F91G81-E87 CarbonylContact O-C 3.21Å; G81-E87 VanDerWaalsContact O-CB 3.22Å; G81-E87 WeakPolarHBondContact O-CB 3.3Å; G82-E87 WeakPolarHBondContact CA-OE2 3.5Å; H83-E87 PolarHBondContact N-OE2 2.94Å; S84-E87 PolarHBondContact N-OE2 3.38Å; S84-E87 PolarHBondContact O-N 2.96Å; S84-E87 WeakPolarHBondContact OG-CB 3.41Å; S84-E87 VanDerWaalsContact OG-CD 3.3Å; S84-E87 WeakPolarHBondContact OG-CG 3.18Å; S84-E87 PolarHBondContact OG-N 3.46Å; S84-E87 PolarHBondContact OG-OE2 3.48Å; E87-S90 WeakPolarHBondContact O-CB 3.27Å; E87-S90 PolarHBondContact O-N 3.03Å; E87-F91 WeakPolarHBondContact O-CB 3.13Å; E87-F91 PolarHBondContact O-N 2.92Å
88L63.9Low64.4Low6 Ų657.1 Ų57.13%0.03134%0.338CS..Hα-helixtrans-69.5-47.4179179.571000111.9C45 I75 G81 S84 F85 S86 S90 F91 L92C45-L88 HydrophobicContact CB-CD2 3.22Å; C45-L88 HydrophobicContact CB-CG 4.43Å; C45-L88 WeakPolarHBondContact SG-CD2 2.96Å; I75-L88 HydrophobicContact CD1-CD1 4.08Å; I75-L88 HydrophobicContact CG1-CD1 4.28Å; G81-L88 WeakPolarHBondContact O-CA 3.5Å; G81-L88 WeakPolarHBondContact O-CB 3.19Å; G81-L88 PolarHBondContact O-N 3.42Å; S84-L88 PolarHBondContact O-N 3.01Å; S84-L88 VanDerWaalsContact O-N 3.14Å; F85-L88 PolarHBondContact O-N 3.16Å; S86-L88 PolarHBondContact O-N 3Å; L88-S90 PolarHBondContact O-N 3.36Å; L88-F91 HydrophobicContact CD1-CD1 4.36Å; L88-F91 PolarHBondContact O-N 3.42Å; L88-F91 VanDerWaalsContact O-N 3.15Å; L88-L92 HydrophobicContact CD1-CG 4.34Å; L88-L92 HydrophobicContact CG-CD1 4.26Å; L88-L92 HydrophobicContact CG-CG 4.42Å; L88-L92 WeakPolarHBondContact O-CG 3.02Å; L88-L92 PolarHBondContact O-N 2.76Å
89C62.8Low63.4Low2 Ų258.9 Ų58.91%0.01435%0.348CS..Hα-helixtrans-55.9-41.2174.2-71.30000110.7F85 S86 L92 N93 V105 M109F85-C89 VanDerWaalsContact CE1-SG 3.59Å; F85-C89 PolarHBondContact O-N 3.33Å; F85-C89 PolarHBondContact O-SG 3.12Å; S86-C89 PolarHBondContact O-N 3.14Å; C89-L92 PolarHBondContact O-N 2.96Å; C89-N93 WeakPolarHBondContact O-CB 3.2Å; C89-N93 PolarHBondContact O-N 3.44Å; C89-V105 HydrophobicContact CB-CG1 4.37Å; C89-V105 WeakPolarHBondContact O-CG1 3.46Å; C89-M109 HydrophobicContact CB-CG 3.92Å
90S70Confident62.8Low69 Ų6960 Ų6048%0.48334%0.342SS..Hα-helixtrans-64.1-43.9176.9-56.80000112.2S86 E87 L88 N93 A94S86-S90 WeakPolarHBondContact O-CB 3.13Å; S86-S90 PolarHBondContact O-N 3.13Å; S86-S90 PolarHBondContact O-OG 3.45Å; E87-S90 WeakPolarHBondContact O-CB 3.27Å; E87-S90 PolarHBondContact O-N 3.03Å; L88-S90 PolarHBondContact O-N 3.36Å; S90-N93 WeakPolarHBondContact O-CB 3.27Å; S90-N93 PolarHBondContact O-N 3.41Å; S90-A94 PolarHBondContact O-N 3.46Å
91F75.8Confident62.1Low29 Ų2955.9 Ų55.913%0.12733%0.325CS..Hα-helixtrans-63-44.4175.7169-105.3000112.2I71 D74 I75 K80 E87 L88 N93 A94 S95I71-F91 HydrophobicContact CG2-CE1 4.03Å; D74-F91 HydrophobicContact CB-CZ 3.98Å; I75-F91 HydrophobicContact CD1-CD1 4.38Å; I75-F91 HydrophobicContact CD1-CE1 3.96Å; I75-F91 HydrophobicContact CG1-CD1 4.06Å; I75-F91 HydrophobicContact CG1-CE1 3.54Å; I75-F91 HydrophobicContact CG1-CZ 4.49Å; K80-F91 HydrophobicContact CB-CD1 4.48Å; K80-F91 HydrophobicContact CB-CD2 3.9Å; K80-F91 HydrophobicContact CB-CE1 4.2Å; K80-F91 HydrophobicContact CB-CE2 3.57Å; K80-F91 HydrophobicContact CB-CG 4.34Å; K80-F91 HydrophobicContact CB-CZ 3.74Å; K80-F91 HydrophobicContact CD-CD2 4.23Å; K80-F91 HydrophobicContact CD-CE2 3.5Å; K80-F91 VanDerWaalsContact CD-CE2 3.5Å; K80-F91 HydrophobicContact CD-CZ 4.09Å; K80-F91 HydrophobicContact CG-CE2 4.2Å; E87-F91 WeakPolarHBondContact O-CB 3.13Å; E87-F91 PolarHBondContact O-N 2.92Å; L88-F91 HydrophobicContact CD1-CD1 4.36Å; L88-F91 PolarHBondContact O-N 3.42Å; L88-F91 VanDerWaalsContact O-N 3.15Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 3.43Å; F91-A94 PolarHBondContact O-N 3.01Å; F91-S95 WeakPolarHBondContact CD2-OG 3.32Å; F91-S95 WeakPolarHBondContact CE2-OG 3.48Å; F91-S95 VanDerWaalsContact CZ-OG 3.3Å; F91-S95 WeakPolarHBondContact CZ-OG 3.44Å; F91-S95 VanDerWaalsContact O-CB 3.26Å; F91-S95 WeakPolarHBondContact O-CB 3.27Å; F91-S95 PolarHBondContact O-N 3.04Å; F91-S95 PolarHBondContact O-OG 3.47Å
92L71Confident61.7Low0 Ų057.1 Ų57.10%033%0.334CS..Hα-helixtrans-63.2-40.2175.9-68.5179.5000111L49 I71 I75 L88 C89 A94 S95 L96 V105 L108L49-L92 HydrophobicContact CD1-CD2 4Å; L49-L92 HydrophobicContact CD2-CD1 4.27Å; L49-L92 HydrophobicContact CD2-CD2 3.99Å; I71-L92 HydrophobicContact CG2-CD2 3.83Å; I75-L92 HydrophobicContact CD1-CD2 4.14Å; L88-L92 HydrophobicContact CD1-CG 4.34Å; L88-L92 HydrophobicContact CG-CD1 4.26Å; L88-L92 HydrophobicContact CG-CG 4.42Å; L88-L92 WeakPolarHBondContact O-CG 3.02Å; L88-L92 PolarHBondContact O-N 2.76Å; C89-L92 PolarHBondContact O-N 2.96Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 2.72Å; L92-S95 PolarHBondContact O-N 3.19Å; L92-L96 HydrophobicContact CB-CD1 4.02Å; L92-L96 HydrophobicContact CD2-CD1 4.28Å; L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 2.78Å; L92-V105 HydrophobicContact CB-CG2 3.73Å; L92-L108 HydrophobicContact CD1-CD1 3.92Å
93N70.8Confident61.5Low87 Ų8760.1 Ų60.147%0.46534%0.337SS..Hα-helixtrans-59.9-43.2175.5-154.532.7000112.4C89 S90 F91 V105C89-N93 WeakPolarHBondContact O-CB 3.2Å; C89-N93 PolarHBondContact O-N 3.44Å; S90-N93 WeakPolarHBondContact O-CB 3.27Å; S90-N93 PolarHBondContact O-N 3.41Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 3.43Å; N93-V105 HydrophobicContact CB-CG1 3.9Å; N93-V105 HydrophobicContact CB-CG2 4.37Å
94A76.4Confident61.4Low82 Ų8252.1 Ų52.168%0.67830%0.301SS*.Hα-helixtrans-72.8-36.3179.100000112.5S90 F91 L92S90-A94 PolarHBondContact O-N 3.46Å; F91-A94 PolarHBondContact O-N 3.01Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-A94 PolarHBondContact O-N 2.72Å
95S71.7Confident61.7Low28 Ų2850 Ų5020%0.19629%0.286CS..Hα-helixtrans-81.6-33.5-174.5-57.80000112.6K67 F91 L92 S97K67-S95 WeakPolarHBondContact CE-O 3.47Å; K67-S95 PolarHBondContact NZ-O 2.79Å; F91-S95 WeakPolarHBondContact CD2-OG 3.32Å; F91-S95 WeakPolarHBondContact CE2-OG 3.48Å; F91-S95 VanDerWaalsContact CZ-OG 3.3Å; F91-S95 WeakPolarHBondContact CZ-OG 3.44Å; F91-S95 VanDerWaalsContact O-CB 3.26Å; F91-S95 WeakPolarHBondContact O-CB 3.27Å; F91-S95 PolarHBondContact O-N 3.04Å; F91-S95 PolarHBondContact O-OG 3.47Å; L92-S95 PolarHBondContact O-N 3.19Å; S95-S97 PolarHBondContact O-N 3.36Å
96L70.1Confident62.1Low7 Ų751 Ų514%0.03730%0.296CS..  trans-9790.8180-50.3163.7000109.2L63 I71 L92 N98 S101 L104 V105L63-L96 HydrophobicContact CD1-CD2 4.03Å; L63-L96 HydrophobicContact CD2-CD2 3.7Å; L63-L96 HydrophobicContact CG-CD2 4.41Å; I71-L96 HydrophobicContact CD1-CD2 3.27Å; I71-L96 HydrophobicContact CD1-CG 3.96Å; L92-L96 HydrophobicContact CB-CD1 4.02Å; L92-L96 HydrophobicContact CD2-CD1 4.28Å; L92-L96 WeakPolarHBondContact O-CB 3.38Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 2.78Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 2.8Å; L96-S101 WeakPolarHBondContact CB-OG 3.29Å; L96-S101 PolarHBondContact O-OG 3.16Å; L96-L104 HydrophobicContact CD1-CD2 4.35Å; L96-V105 HydrophobicContact CD1-CG2 4.36Å
97S56.8Low61.9Low97 Ų9748.7 Ų48.768%0.67828%0.28SS*.  trans-86.120.5-173.665.30000114.6K67 S95K67-S97 PolarHBondContact NZ-OG 3.01Å; S95-S97 PolarHBondContact O-N 3.36Å
98N57.4Low61.6Low46 Ų4644.5 Ų44.525%0.24626%0.26CS..SBendtrans-116.1149.4-178.974.432.2000111.9I62 L96 N100 S101 A102I62-N98 PolarHBondContact O-ND2 2.9Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 2.8Å; N98-N100 PolarHBondContact O-N 3.41Å; N98-N100 VanDerWaalsContact O-N 3.16Å; N98-N100 PolarHBondContact OD1-N 2.96Å; N98-S101 PolarHBondContact N-OG 2.77Å; N98-S101 PolarHBondContact O-N 3.38Å; N98-S101 PolarHBondContact O-OG 3.33Å; N98-S101 WeakPolarHBondContact OD1-CB 3.42Å; N98-S101 PolarHBondContact OD1-N 2.85Å; N98-S101 PolarHBondContact OD1-OG 2.96Å; N98-A102 PolarHBondContact O-N 3.44Å; N98-A102 VanDerWaalsContact O-N 3.12Å
99E50.8Low61.5Low178 Ų17848.9 Ų48.983%0.83228%0.281SS*.Hα-helixtrans-54.3-37.4-176.3-68.4-177.7165.200113S101 A102 Y103E99-S101 VanDerWaalsContact C-N 3.31Å; E99-S101 PolarHBondContact O-N 2.69Å; E99-A102 PolarHBondContact O-N 2.81Å; E99-Y103 PolarHBondContact O-N 3.1Å
100N48.6Very low61.1Low75 Ų7555 Ų5540%0.40131%0.308SS..Hα-helixtrans-68.1-30.3179.1-68.7-29.2000112.9I62 N98 Y103I62-N100 HydrophobicContact CG2-CB 3.82Å; I62-N100 WeakPolarHBondContact CG2-ND2 3.22Å; N98-N100 PolarHBondContact O-N 3.41Å; N98-N100 VanDerWaalsContact O-N 3.16Å; N98-N100 PolarHBondContact OD1-N 2.96Å; N100-Y103 WeakPolarHBondContact O-CB 3.44Å; N100-Y103 PolarHBondContact O-N 3.2Å
101S53.6Low60.1Low5 Ų551.7 Ų51.74%0.03529%0.285CS..Hα-helixtrans-83.9-29.5178.964.20000113.9L96 N98 E99 Y103 L104 V105L96-S101 WeakPolarHBondContact CB-OG 3.29Å; L96-S101 PolarHBondContact O-OG 3.16Å; N98-S101 PolarHBondContact N-OG 2.77Å; N98-S101 PolarHBondContact O-N 3.38Å; N98-S101 PolarHBondContact O-OG 3.33Å; N98-S101 WeakPolarHBondContact OD1-CB 3.42Å; N98-S101 PolarHBondContact OD1-N 2.85Å; N98-S101 PolarHBondContact OD1-OG 2.96Å; E99-S101 VanDerWaalsContact C-N 3.31Å; E99-S101 PolarHBondContact O-N 2.69Å; S101-Y103 PolarHBondContact O-N 3.49Å; S101-L104 WeakPolarHBondContact O-CB 3.29Å; S101-L104 PolarHBondContact O-N 3.07Å; S101-L104 VanDerWaalsContact O-N 3.14Å; S101-V105 WeakPolarHBondContact O-CG2 2.9Å; S101-V105 PolarHBondContact O-N 3.28Å; S101-V105 VanDerWaalsContact O-N 3.09Å
102A56.2Low58.8Low37 Ų3753.8 Ų53.831%0.30630%0.296SS..Hα-helixtrans-57.7-32.916700000110.8N98 E99 T106N98-A102 PolarHBondContact O-N 3.44Å; N98-A102 VanDerWaalsContact O-N 3.12Å; E99-A102 PolarHBondContact O-N 2.81Å; A102-T106 VanDerWaalsContact O-CB 3.32Å; A102-T106 WeakPolarHBondContact O-CB 3.25Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 3.17Å
103Y54.3Low57.6Low92 Ų9259.2 Ų59.236%0.36132%0.321SS..Hα-helixtrans-67.8-42.9174.8-168.4-83000113.3E99 N100 S101 V105 T106 S107 A171 Y172E99-Y103 PolarHBondContact O-N 3.1Å; N100-Y103 WeakPolarHBondContact O-CB 3.44Å; N100-Y103 PolarHBondContact O-N 3.2Å; S101-Y103 PolarHBondContact O-N 3.49Å; Y103-V105 VanDerWaalsContact C-N 3.32Å; Y103-V105 PolarHBondContact O-N 3.13Å; Y103-T106 PolarHBondContact O-N 3.33Å; Y103-S107 WeakPolarHBondContact CD1-OG 3.38Å; Y103-S107 WeakPolarHBondContact CE1-OG 3.09Å; Y103-S107 WeakPolarHBondContact O-CB 3.27Å; Y103-S107 PolarHBondContact O-N 3.5Å; Y103-S107 PolarHBondContact O-OG 3.36Å; Y103-A171 HydrophobicContact CE1-CB 3.52Å; Y103-A171 WeakPolarHBondContact OH-CB 3.3Å; Y103-Y172 HydrophobicContact CD1-CD2 4.32Å; Y103-Y172 AromaticContact CD1-CE2 3.54Å; Y103-Y172 HydrophobicContact CD1-CE2 3.54Å; Y103-Y172 HydrophobicContact CE1-CD2 4Å; Y103-Y172 AromaticContact CE1-CE2 3.67Å; Y103-Y172 HydrophobicContact CE1-CE2 3.67Å
104L55.2Low56.3Low13 Ų1357 Ų577%0.06831%0.312CS..Hα-helixtrans-56.6-49.8173.8170.661.2000110.2L49 V52 L96 S101 T106 S107 L108 Y168L49-L104 HydrophobicContact CD2-CD2 3.89Å; V52-L104 HydrophobicContact CB-CD1 4.38Å; V52-L104 HydrophobicContact CG1-CD1 4.15Å; V52-L104 HydrophobicContact CG1-CD2 4.15Å; V52-L104 HydrophobicContact CG2-CD1 3.78Å; L96-L104 HydrophobicContact CD1-CD2 4.35Å; S101-L104 WeakPolarHBondContact O-CB 3.29Å; S101-L104 PolarHBondContact O-N 3.07Å; S101-L104 VanDerWaalsContact O-N 3.14Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.14Å; L104-S107 PolarHBondContact O-N 2.88Å; L104-L108 HydrophobicContact CD1-CD1 4.04Å; L104-L108 HydrophobicContact CD1-CG 4.18Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 WeakPolarHBondContact O-CG 3Å; L104-L108 PolarHBondContact O-N 3.1Å; L104-Y168 HydrophobicContact CD1-CD2 4.02Å; L104-Y168 HydrophobicContact CD1-CE2 3.78Å
105V59.7Low54.6Low2 Ų254.7 Ų54.71%0.01229%0.288CS..Hα-helixtrans-61.4-44.3178.3176.40000111C89 L92 N93 L96 S101 Y103 S107 L108 M109C89-V105 HydrophobicContact CB-CG1 4.37Å; C89-V105 WeakPolarHBondContact O-CG1 3.46Å; L92-V105 HydrophobicContact CB-CG2 3.73Å; N93-V105 HydrophobicContact CB-CG1 3.9Å; N93-V105 HydrophobicContact CB-CG2 4.37Å; L96-V105 HydrophobicContact CD1-CG2 4.36Å; S101-V105 WeakPolarHBondContact O-CG2 2.9Å; S101-V105 PolarHBondContact O-N 3.28Å; S101-V105 VanDerWaalsContact O-N 3.09Å; Y103-V105 VanDerWaalsContact C-N 3.32Å; Y103-V105 PolarHBondContact O-N 3.13Å; V105-S107 VanDerWaalsContact C-N 3.3Å; V105-S107 PolarHBondContact O-N 3.23Å; V105-L108 PolarHBondContact O-N 3.44Å; V105-M109 HydrophobicContact CG1-CG 4.38Å; V105-M109 HydrophobicContact CG1-SD 4.32Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 3Å
106T60.9Low53.2Low65 Ų6558.3 Ų58.340%0.39931%0.309SS..Hα-helixtrans-60.3-40.2176.8-59.10000111.7A102 Y103 L104 M109 K110A102-T106 VanDerWaalsContact O-CB 3.32Å; A102-T106 WeakPolarHBondContact O-CB 3.25Å; A102-T106 PolarHBondContact O-N 3.47Å; A102-T106 PolarHBondContact O-OG1 3.17Å; Y103-T106 PolarHBondContact O-N 3.33Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.14Å; T106-M109 PolarHBondContact O-N 3.36Å; T106-K110 WeakPolarHBondContact O-CG 3.46Å; T106-K110 PolarHBondContact O-N 3.22Å
107S53.6Low51.7Low9 Ų965.3 Ų65.36%0.06334%0.339CS..Hα-helixtrans-67.5-44.1177.4-57.10000111.2Y103 L104 V105 M109 K110 V111Y103-S107 WeakPolarHBondContact CD1-OG 3.38Å; Y103-S107 WeakPolarHBondContact CE1-OG 3.09Å; Y103-S107 WeakPolarHBondContact O-CB 3.27Å; Y103-S107 PolarHBondContact O-N 3.5Å; Y103-S107 PolarHBondContact O-OG 3.36Å; L104-S107 PolarHBondContact O-N 2.88Å; V105-S107 VanDerWaalsContact C-N 3.3Å; V105-S107 PolarHBondContact O-N 3.23Å; S107-M109 VanDerWaalsContact C-N 3.35Å; S107-M109 PolarHBondContact O-N 2.74Å; S107-K110 PolarHBondContact O-N 3.45Å; S107-V111 WeakPolarHBondContact O-CG2 3.28Å; S107-V111 PolarHBondContact O-N 3.46Å
108L55.3Low51.1Low5 Ų563.7 Ų63.73%0.02632%0.323CS..Hα-helixtrans-58-46.5173.1-71.3168.2000111.3L48 F85 L92 L104 V105 K110 V111 M112 V164L48-L108 HydrophobicContact CD1-CD2 3.89Å; F85-L108 HydrophobicContact CE1-CB 4.45Å; F85-L108 WeakPolarHBondContact CE1-O 3.44Å; F85-L108 HydrophobicContact CE2-CD2 4.4Å; F85-L108 HydrophobicContact CZ-CB 3.99Å; F85-L108 HydrophobicContact CZ-CD2 3.98Å; L92-L108 HydrophobicContact CD1-CD1 3.92Å; L104-L108 HydrophobicContact CD1-CD1 4.04Å; L104-L108 HydrophobicContact CD1-CG 4.18Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 WeakPolarHBondContact O-CG 3Å; L104-L108 PolarHBondContact O-N 3.1Å; V105-L108 PolarHBondContact O-N 3.44Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.24Å; L108-V111 PolarHBondContact O-N 3.38Å; L108-V111 VanDerWaalsContact O-N 3.15Å; L108-M112 PolarHBondContact O-N 3.4Å; L108-V164 HydrophobicContact CD2-CG1 3.44Å; L108-V164 VanDerWaalsContact CD2-CG1 3.44Å
109M60.2Low50.1Low98 Ų9864.9 Ų64.948%0.48333%0.326SS..Hα-helixtrans-63-37.6178.1-71.5-170.38300112.7C89 V105 T106 S107 V111 M112C89-M109 HydrophobicContact CB-CG 3.92Å; V105-M109 HydrophobicContact CG1-CG 4.38Å; V105-M109 HydrophobicContact CG1-SD 4.32Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 3Å; T106-M109 PolarHBondContact O-N 3.36Å; S107-M109 VanDerWaalsContact C-N 3.35Å; S107-M109 PolarHBondContact O-N 2.74Å; M109-V111 VanDerWaalsContact C-N 3.26Å; M109-V111 PolarHBondContact O-N 3.48Å; M109-M112 VanDerWaalsContact O-CB 3.28Å; M109-M112 WeakPolarHBondContact O-CB 3.05Å; M109-M112 PolarHBondContact O-N 3.04Å
110K55.4Low49.5Very low130 Ų13060.6 Ų60.657%0.56532%0.315SS*.Hα-helixtrans-64.8-29.8175.5-78178.2179.4-179.40113.1T106 S107 L108 M112 P114T106-K110 WeakPolarHBondContact O-CG 3.46Å; T106-K110 PolarHBondContact O-N 3.22Å; S107-K110 PolarHBondContact O-N 3.45Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 3.24Å; K110-M112 VanDerWaalsContact C-N 3.33Å; K110-P114 WeakPolarHBondContact O-CD 3.34Å
111V49.2Very low49.1Very low1 Ų158 Ų581%0.00630%0.303CS..Hα-helixtrans-77.3-21.8179.3-178.70000112S107 L108 M109 E113 P114 L115 T163 V164 E167S107-V111 WeakPolarHBondContact O-CG2 3.28Å; S107-V111 PolarHBondContact O-N 3.46Å; L108-V111 PolarHBondContact O-N 3.38Å; L108-V111 VanDerWaalsContact O-N 3.15Å; M109-V111 VanDerWaalsContact C-N 3.26Å; M109-V111 PolarHBondContact O-N 3.48Å; V111-E113 PolarHBondContact O-N 3.33Å; V111-P114 WeakPolarHBondContact O-CD 3.31Å; V111-L115 HydrophobicContact CG1-CD1 3.65Å; V111-L115 HydrophobicContact CG1-CG 3.76Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3Å; V111-L115 PolarHBondContact O-N 3.29Å; V111-L115 VanDerWaalsContact O-N 3.12Å; V111-T163 HydrophobicContact CG1-CG2 3.48Å; V111-T163 VanDerWaalsContact CG1-CG2 3.48Å; V111-V164 HydrophobicContact CB-CG2 4.22Å; V111-V164 HydrophobicContact CG1-CB 4.31Å; V111-V164 HydrophobicContact CG1-CG2 3.61Å; V111-V164 HydrophobicContact CG2-CG2 4.48Å; V111-E167 HydrophobicContact CG2-CB 3.47Å; V111-E167 VanDerWaalsContact CG2-CB 3.47Å; V111-E167 HydrophobicContact CG2-CG 3.49Å; V111-E167 VanDerWaalsContact CG2-CG 3.49Å
112M47.4Very low48.5Very low73 Ų7358.8 Ų58.836%0.3631%0.306SS..Hα-helixtrans-57.7-37.7179-167.3178.973.200112.4F85 L108 M109 K110 T116F85-M112 HydrophobicContact CD1-CB 4.25Å; F85-M112 HydrophobicContact CD1-CG 4.11Å; F85-M112 HydrophobicContact CD1-SD 4.34Å; F85-M112 HydrophobicContact CE1-CB 4.19Å; L108-M112 PolarHBondContact O-N 3.4Å; M109-M112 VanDerWaalsContact O-CB 3.28Å; M109-M112 WeakPolarHBondContact O-CB 3.05Å; M109-M112 PolarHBondContact O-N 3.04Å; K110-M112 VanDerWaalsContact C-N 3.33Å; M112-T116 WeakPolarHBondContact O-CB 3.19Å; M112-T116 VanDerWaalsContact O-CG2 3.25Å; M112-T116 WeakPolarHBondContact O-CG2 3.38Å; M112-T116 PolarHBondContact O-N 3Å; M112-T116 PolarHBondContact O-OG1 2.73Å
113E46.3Very low47.7Very low114 Ų11460.3 Ų60.353%0.53330%0.304SS..Hα-helixtrans-75.1-46.3-176.3-171174.1-155.400113.4V111 L115 T116 K117V111-E113 PolarHBondContact O-N 3.33Å; E113-L115 PolarHBondContact O-N 2.78Å; E113-T116 PolarHBondContact O-N 3.32Å; E113-T116 PolarHBondContact O-OG1 3.5Å; E113-K117 HydrophobicContact CG-CD 3.98Å; E113-K117 PolarHBondContact O-N 3.29Å; E113-K117 IonicContact OE1-NZ 2.77Å; E113-K117 PolarHBondContact OE1-NZ 3.28Å
114P43Very low47.2Very low40 Ų4060.6 Ų60.626%0.2632%0.316SS..Hα-helixtrans-58.9-40.5169.9-24.932.1000114K110 V111 T116 D118 F122K110-P114 WeakPolarHBondContact O-CD 3.34Å; V111-P114 WeakPolarHBondContact O-CD 3.31Å; P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.16Å; P114-D118 PolarHBondContact O-N 2.92Å; P114-F122 HydrophobicContact CB-CD2 4.24Å
115L40.8Very low46.7Very low34 Ų3464.9 Ų64.918%0.17833%0.333CS..Hα-helixtrans-64.5-30.8179.2-76.7178000113V111 E113 F119 H160 T163 V164V111-L115 HydrophobicContact CG1-CD1 3.65Å; V111-L115 HydrophobicContact CG1-CG 3.76Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3Å; V111-L115 PolarHBondContact O-N 3.29Å; V111-L115 VanDerWaalsContact O-N 3.12Å; E113-L115 PolarHBondContact O-N 2.78Å; L115-F119 HydrophobicContact CD2-CD2 4.38Å; L115-F119 HydrophobicContact CD2-CE2 4.31Å; L115-H160 HydrophobicContact CD2-CB 4.44Å; L115-T163 HydrophobicContact CD2-CG2 3.64Å; L115-T163 HydrophobicContact CG-CG2 3.93Å; L115-V164 HydrophobicContact CD1-CG2 4.44Å
116T43.2Very low46Very low103 Ų10364.8 Ų64.863%0.63233%0.333SS*.Hα-helixtrans-94.5-19.5-173.949.90000114.1M112 E113 P114M112-T116 WeakPolarHBondContact O-CB 3.19Å; M112-T116 VanDerWaalsContact O-CG2 3.25Å; M112-T116 WeakPolarHBondContact O-CG2 3.38Å; M112-T116 PolarHBondContact O-N 3Å; M112-T116 PolarHBondContact O-OG1 2.73Å; E113-T116 PolarHBondContact O-N 3.32Å; E113-T116 PolarHBondContact O-OG1 3.5Å; P114-T116 VanDerWaalsContact C-N 3.26Å; P114-T116 PolarHBondContact O-N 3.16Å
117K37.8Very low45.3Very low154 Ų15466.3 Ų66.367%0.6733%0.332SS*.Hα-helixtrans-111.6-41.8-170.8-70.6-177179.6172.40116.4E113E113-K117 HydrophobicContact CG-CD 3.98Å; E113-K117 PolarHBondContact O-N 3.29Å; E113-K117 IonicContact OE1-NZ 2.77Å; E113-K117 PolarHBondContact OE1-NZ 3.28Å
118D43.3Very low45Very low64 Ų6468.2 Ų68.234%0.34235%0.345SS..  trans-155.579.6-174.1-176.95.8000112.3P114 S121P114-D118 PolarHBondContact O-N 2.92Å; D118-S121 VanDerWaalsContact CG-CB 3.48Å; D118-S121 WeakPolarHBondContact OD1-CB 3.38Å; D118-S121 PolarHBondContact OD1-N 3.21Å; D118-S121 WeakPolarHBondContact OD2-CB 3.44Å
119F36.6Very low44.5Very low70 Ų7068.8 Ų68.831%0.30735%0.347SS..Hα-helixtrans-72.2-33.8-172.2-174.8-107.2000114L115 F122 Y123 L159L115-F119 HydrophobicContact CD2-CD2 4.38Å; L115-F119 HydrophobicContact CD2-CE2 4.31Å; F119-F122 PolarHBondContact O-N 2.94Å; F119-Y123 PolarHBondContact O-N 3.02Å; F119-Y123 VanDerWaalsContact O-N 3.13Å; F119-L159 HydrophobicContact CD1-CD2 4.46Å; F119-L159 HydrophobicContact CE1-CB 4.07Å; F119-L159 HydrophobicContact CE1-CD2 3.53Å; F119-L159 HydrophobicContact CE1-CG 4.36Å; F119-L159 HydrophobicContact CE2-CB 3.94Å; F119-L159 HydrophobicContact CZ-CB 3.27Å; F119-L159 HydrophobicContact CZ-CD2 3.63Å; F119-L159 HydrophobicContact CZ-CG 4.03Å
120S39.3Very low43.7Very low88 Ų8864.3 Ų64.362%0.61533%0.326SS*.Hα-helixtrans-70.2-42.4-177.5-60.50000112.2F122 Y123 V124S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.23Å; S120-Y123 PolarHBondContact O-N 3.17Å; S120-V124 PolarHBondContact O-N 3.47Å
121S40.5Very low43.3Very low21 Ų2161.8 Ų61.815%0.14732%0.319CS..Hα-helixtrans-64.4-38.3176.8-172.30000111.8D118 K125D118-S121 VanDerWaalsContact CG-CB 3.48Å; D118-S121 WeakPolarHBondContact OD1-CB 3.38Å; D118-S121 PolarHBondContact OD1-N 3.21Å; D118-S121 WeakPolarHBondContact OD2-CB 3.44Å; S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 3.26Å
122F40.1Very low43.2Very low22 Ų2267.1 Ų67.110%0.09634%0.338CS..Hα-helixtrans-63.3-46.9176-179.8-89.2000112.2P114 F119 S120 V124 K125 L126 T163 Y166P114-F122 HydrophobicContact CB-CD2 4.24Å; F119-F122 PolarHBondContact O-N 2.94Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 3.23Å; F122-V124 PolarHBondContact O-N 3.33Å; F122-K125 PolarHBondContact O-N 3.01Å; F122-L126 HydrophobicContact CD1-CD2 4.34Å; F122-L126 HydrophobicContact CE1-CB 4.22Å; F122-L126 HydrophobicContact CE1-CD2 3.32Å; F122-L126 HydrophobicContact CE1-CG 4.45Å; F122-L126 HydrophobicContact CZ-CD2 3.72Å; F122-L126 WeakPolarHBondContact O-CB 3.36Å; F122-L126 PolarHBondContact O-N 3.33Å; F122-T163 HydrophobicContact CD1-CG2 3.68Å; F122-T163 WeakPolarHBondContact CD1-OG1 3.28Å; F122-T163 HydrophobicContact CD2-CG2 4.12Å; F122-T163 HydrophobicContact CE1-CG2 3.21Å; F122-T163 WeakPolarHBondContact CE1-OG1 3.45Å; F122-T163 HydrophobicContact CE2-CG2 3.67Å; F122-T163 HydrophobicContact CG-CG2 4.13Å; F122-T163 VanDerWaalsContact CZ-CA 3.43Å; F122-T163 HydrophobicContact CZ-CG2 3.21Å; F122-Y166 AromaticContact CE2-CD1 3.55Å; F122-Y166 HydrophobicContact CE2-CD1 3.55Å; F122-Y166 AromaticContact CE2-CE1 3.88Å; F122-Y166 HydrophobicContact CE2-CE1 3.88Å; F122-Y166 HydrophobicContact CE2-CG 4.39Å; F122-Y166 AromaticContact CZ-CD1 3.51Å; F122-Y166 HydrophobicContact CZ-CD1 3.51Å; F122-Y166 HydrophobicContact CZ-CE1 4.24Å; F122-Y166 AromaticContact CZ-CG 3.92Å; F122-Y166 HydrophobicContact CZ-CG 3.92Å
123Y40.3Very low42.9Very low69 Ų6964.9 Ų64.927%0.27133%0.328SS..Hα-helixtrans-59.8-41.7-179.7-178.3-106.3000113.4F119 S120 L126 R127 L159 L162F119-Y123 PolarHBondContact O-N 3.02Å; F119-Y123 VanDerWaalsContact O-N 3.13Å; S120-Y123 PolarHBondContact O-N 3.17Å; Y123-L126 PolarHBondContact O-N 3.47Å; Y123-R127 HydrophobicContact CE1-CG 4.31Å; Y123-R127 HydrophobicContact CE2-CG 4.37Å; Y123-R127 PolarHBondContact O-N 3.36Å; Y123-R127 PolarHBondContact OH-NE 2.9Å; Y123-R127 PolarHBondContact OH-NH2 3.27Å; Y123-L159 HydrophobicContact CD2-CD2 3.18Å; Y123-L159 HydrophobicContact CD2-CG 3.86Å; Y123-L159 HydrophobicContact CE2-CD2 3.52Å; Y123-L159 HydrophobicContact CE2-CG 3.84Å; Y123-L159 HydrophobicContact CG-CD2 3.76Å; Y123-L162 HydrophobicContact CD2-CD2 4.23Å; Y123-L162 HydrophobicContact CE2-CD2 4.19Å
124V43.8Very low42.9Very low98 Ų9861 Ų6159%0.59431%0.311SS*.Hα-helixtrans-65.2-44.2177.9175.30000111.1S120 F122 L126 S128S120-V124 PolarHBondContact O-N 3.47Å; F122-V124 PolarHBondContact O-N 3.33Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 2.95Å; V124-S128 WeakPolarHBondContact O-CB 3.41Å; V124-S128 PolarHBondContact O-N 3.12Å; V124-S128 VanDerWaalsContact O-N 3.08Å
125K44.5Very low43.1Very low102 Ų10266.2 Ų66.244%0.44333%0.329SS..Hα-helixtrans-61-38.8175.7-73.8172.9-177.51690111.6S121 F122 M129S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 3.26Å; F122-K125 PolarHBondContact O-N 3.01Å; K125-M129 PolarHBondContact O-N 3.15Å
126L44.3Very low43.2Very low1 Ų172 Ų721%0.00535%0.35CS..Hα-helixtrans-68.7-52.4-179.5-176.938.9000112.7F122 Y123 V124 S128 M129 C130 L162 Y166F122-L126 HydrophobicContact CD1-CD2 4.34Å; F122-L126 HydrophobicContact CE1-CB 4.22Å; F122-L126 HydrophobicContact CE1-CD2 3.32Å; F122-L126 HydrophobicContact CE1-CG 4.45Å; F122-L126 HydrophobicContact CZ-CD2 3.72Å; F122-L126 WeakPolarHBondContact O-CB 3.36Å; F122-L126 PolarHBondContact O-N 3.33Å; Y123-L126 PolarHBondContact O-N 3.47Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 2.95Å; L126-S128 VanDerWaalsContact C-N 3.26Å; L126-S128 PolarHBondContact O-N 3.34Å; L126-M129 WeakPolarHBondContact O-CA 3.33Å; L126-M129 PolarHBondContact O-N 3.19Å; L126-C130 PolarHBondContact O-N 3.11Å; L126-L162 HydrophobicContact CD2-CB 4.1Å; L126-L162 HydrophobicContact CD2-CD2 3.53Å; L126-L162 HydrophobicContact CD2-CG 3.43Å; L126-L162 VanDerWaalsContact CD2-CG 3.43Å; L126-L162 WeakPolarHBondContact CD2-O 3.34Å; L126-L162 HydrophobicContact CG-CD2 3.83Å; L126-L162 HydrophobicContact CG-CG 4.02Å; L126-Y166 HydrophobicContact CD1-CD2 3.26Å; L126-Y166 HydrophobicContact CD1-CE2 4Å; L126-Y166 HydrophobicContact CD1-CG 3.73Å; L126-Y166 HydrophobicContact CD2-CG 4.29Å; L126-Y166 HydrophobicContact CG-CD2 4.43Å
127R45.5Very low43.1Very low97 Ų9768.1 Ų68.137%0.36633%0.326SS..Hα-helixtrans-57.2-42.7175.5-84.4-153.8167.7-178.22.7111.9Y123 M129 C130 D131 W154Y123-R127 HydrophobicContact CE1-CG 4.31Å; Y123-R127 HydrophobicContact CE2-CG 4.37Å; Y123-R127 PolarHBondContact O-N 3.36Å; Y123-R127 PolarHBondContact OH-NE 2.9Å; Y123-R127 PolarHBondContact OH-NH2 3.27Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 3.42Å; R127-C130 PolarHBondContact O-N 3.39Å; R127-D131 VanDerWaalsContact O-CG 3.28Å; R127-D131 PolarHBondContact O-N 2.89Å; R127-W154 HydrophobicContact CB-CZ3 4.02Å; R127-W154 HydrophobicContact CG-CE3 4.32Å; R127-W154 HydrophobicContact CG-CZ3 3.89Å
128S47.9Very low43.3Very low49 Ų4967.2 Ų67.234%0.34333%0.325SS..Hα-helixtrans-61-34.3175.2-175.70000112.9V124 L126 R132V124-S128 WeakPolarHBondContact O-CB 3.41Å; V124-S128 PolarHBondContact O-N 3.12Å; V124-S128 VanDerWaalsContact O-N 3.08Å; L126-S128 VanDerWaalsContact C-N 3.26Å; L126-S128 PolarHBondContact O-N 3.34Å; S128-R132 WeakPolarHBondContact O-CB 3.1Å; S128-R132 WeakPolarHBondContact O-CG 3.28Å; S128-R132 PolarHBondContact O-N 3.39Å; S128-R132 VanDerWaalsContact O-N 3.1Å
129M44Very low43.1Very low16 Ų1668.8 Ų68.88%0.07933%0.332CS..Hα-helixtrans-72.6-43.8174.4-167.9-174.476.900112.1K125 L126 R127 D131 R132 L133 Y166 F169 L174K125-M129 PolarHBondContact O-N 3.15Å; L126-M129 WeakPolarHBondContact O-CA 3.33Å; L126-M129 PolarHBondContact O-N 3.19Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 3.42Å; M129-D131 VanDerWaalsContact C-N 3.31Å; M129-D131 PolarHBondContact O-N 2.85Å; M129-R132 CarbonylContact O-C 3.46Å; M129-R132 WeakPolarHBondContact O-CA 3.3Å; M129-R132 WeakPolarHBondContact O-CB 3.49Å; M129-R132 PolarHBondContact O-N 3.46Å; M129-R132 VanDerWaalsContact O-N 3.09Å; M129-L133 HydrophobicContact CE-CD1 3.57Å; M129-L133 HydrophobicContact CG-CD1 3.91Å; M129-L133 HydrophobicContact CG-CG 4.42Å; M129-L133 PolarHBondContact O-N 2.9Å; M129-L133 HydrophobicContact SD-CD1 4.17Å; M129-Y166 HydrophobicContact CB-CE2 4.25Å; M129-Y166 HydrophobicContact CE-CD2 3.27Å; M129-Y166 HydrophobicContact CE-CE2 3.26Å; M129-Y166 HydrophobicContact CG-CE2 4.4Å; M129-Y166 HydrophobicContact SD-CD2 4.04Å; M129-Y166 HydrophobicContact SD-CE2 3.35Å; M129-Y166 WeakPolarHBondContact SD-CE2 3.5Å; M129-F169 HydrophobicContact CE-CD1 3.71Å; M129-F169 HydrophobicContact CE-CE1 4.16Å; M129-L174 HydrophobicContact SD-CD1 4.05Å
130C43.4Very low43Very low4 Ų471.7 Ų71.73%0.02736%0.358CS..Hα-helixtrans-56.6-47175.5-68.30000110.7L126 R127 R132 L133 I134 W154L126-C130 PolarHBondContact O-N 3.11Å; R127-C130 PolarHBondContact O-N 3.39Å; C130-R132 VanDerWaalsContact C-N 3.3Å; C130-R132 PolarHBondContact O-N 3.44Å; C130-L133 PolarHBondContact O-N 3.26Å; C130-I134 WeakPolarHBondContact O-CB 3.37Å; C130-I134 VanDerWaalsContact O-CG1 3.23Å; C130-I134 WeakPolarHBondContact O-CG1 3.38Å; C130-I134 PolarHBondContact O-N 2.99Å; C130-W154 HydrophobicContact CB-CE3 4.39Å
131D48.1Very low42.8Very low78 Ų7871.5 Ų71.542%0.41737%0.369SS..Hα-helixtrans-57.8-43.1174.6-69.7-28.7000111.7R127 M129 K135 W154R127-D131 VanDerWaalsContact O-CG 3.28Å; R127-D131 PolarHBondContact O-N 2.89Å; M129-D131 VanDerWaalsContact C-N 3.31Å; M129-D131 PolarHBondContact O-N 2.85Å; D131-K135 VanDerWaalsContact O-CB 3.22Å; D131-K135 WeakPolarHBondContact O-CB 3.35Å; D131-K135 PolarHBondContact O-N 2.96Å; D131-W154 WeakPolarHBondContact OD1-CH2 2.95Å; D131-W154 WeakPolarHBondContact OD1-CZ3 3.34Å
132R46.4Very low42.7Very low112 Ų11274.3 Ų74.342%0.42338%0.383SS..Hα-helixtrans-65.4-42.5176.5-76.7175-169.7-160.93.7112.2S128 M129 C130 K135 Y136S128-R132 WeakPolarHBondContact O-CB 3.1Å; S128-R132 WeakPolarHBondContact O-CG 3.28Å; S128-R132 PolarHBondContact O-N 3.39Å; S128-R132 VanDerWaalsContact O-N 3.1Å; M129-R132 CarbonylContact O-C 3.46Å; M129-R132 WeakPolarHBondContact O-CA 3.3Å; M129-R132 WeakPolarHBondContact O-CB 3.49Å; M129-R132 PolarHBondContact O-N 3.46Å; M129-R132 VanDerWaalsContact O-N 3.09Å; C130-R132 VanDerWaalsContact C-N 3.3Å; C130-R132 PolarHBondContact O-N 3.44Å; R132-K135 CarbonylContact O-C 3.47Å; R132-K135 WeakPolarHBondContact O-CB 3.36Å; R132-K135 PolarHBondContact O-N 3.46Å; R132-Y136 HydrophobicContact CB-CD2 4.31Å; R132-Y136 HydrophobicContact CB-CE2 4.41Å; R132-Y136 WeakPolarHBondContact O-CD2 3.26Å; R132-Y136 PolarHBondContact O-N 2.85Å
133L42.3Very low42.8Very low27 Ų2777.7 Ų77.714%0.14140%0.402CS..Hα-helixtrans-66.2-46.8178.6-83.1159.4000111.8M129 C130 K135 Y136 C137 A150 F169M129-L133 HydrophobicContact CE-CD1 3.57Å; M129-L133 HydrophobicContact CG-CD1 3.91Å; M129-L133 HydrophobicContact CG-CG 4.42Å; M129-L133 PolarHBondContact O-N 2.9Å; M129-L133 HydrophobicContact SD-CD1 4.17Å; C130-L133 PolarHBondContact O-N 3.26Å; L133-K135 PolarHBondContact O-N 3.28Å; L133-Y136 PolarHBondContact O-N 3.44Å; L133-C137 WeakPolarHBondContact O-CB 3.42Å; L133-C137 PolarHBondContact O-N 3.42Å; L133-C137 PolarHBondContact O-SG 3.27Å; L133-A150 HydrophobicContact CB-CB 3.79Å; L133-F169 HydrophobicContact CD1-CD1 4.03Å; L133-F169 HydrophobicContact CD1-CE1 3.26Å; L133-F169 HydrophobicContact CD1-CZ 3.59Å; L133-F169 HydrophobicContact CD2-CE1 3.76Å; L133-F169 HydrophobicContact CD2-CZ 3.67Å; L133-F169 HydrophobicContact CG-CE1 4.15Å; L133-F169 HydrophobicContact CG-CZ 4.28Å
134I46.1Very low42.9Very low33 Ų3378.7 Ų78.717%0.16942%0.417CS..Hα-helixtrans-54.8-37173.3-67.8165.9000110.3C130 Q138 A150 N151 W154C130-I134 WeakPolarHBondContact O-CB 3.37Å; C130-I134 VanDerWaalsContact O-CG1 3.23Å; C130-I134 WeakPolarHBondContact O-CG1 3.38Å; C130-I134 PolarHBondContact O-N 2.99Å; I134-Q138 WeakPolarHBondContact O-CG 3.49Å; I134-A150 HydrophobicContact CD1-CB 4.3Å; I134-A150 HydrophobicContact CG1-CB 3.58Å; I134-N151 WeakPolarHBondContact CD1-OD1 3.23Å; I134-W154 HydrophobicContact CD1-CB 4.45Å
135K47.1Very low42.7Very low149 Ų14978.8 Ų78.865%0.64841%0.413SS*.Hα-helixtrans-75.8-43.3177.4-174.3179-179.7177.70113.8D131 R132 L133 Q138D131-K135 VanDerWaalsContact O-CB 3.22Å; D131-K135 WeakPolarHBondContact O-CB 3.35Å; D131-K135 PolarHBondContact O-N 2.96Å; R132-K135 CarbonylContact O-C 3.47Å; R132-K135 WeakPolarHBondContact O-CB 3.36Å; R132-K135 PolarHBondContact O-N 3.46Å; L133-K135 PolarHBondContact O-N 3.28Å; K135-Q138 WeakPolarHBondContact O-CB 3.43Å; K135-Q138 PolarHBondContact O-N 3.49Å
136Y43.8Very low42.4Very low156 Ų15674.5 Ų74.561%0.61240%0.397SS*.Hα-helixtrans-66.8-41.3179.4-87-71000111.2R132 L133 Q138 I139R132-Y136 HydrophobicContact CB-CD2 4.31Å; R132-Y136 HydrophobicContact CB-CE2 4.41Å; R132-Y136 WeakPolarHBondContact O-CD2 3.26Å; R132-Y136 PolarHBondContact O-N 2.85Å; L133-Y136 PolarHBondContact O-N 3.44Å; Y136-Q138 PolarHBondContact O-N 2.85Å; Y136-I139 WeakPolarHBondContact O-CG1 3.28Å; Y136-I139 PolarHBondContact O-N 3.42Å
137C39.2Very low42.4Very low20 Ų2078.5 Ų78.514%0.13541%0.414CS..THydrogen-bonded Turntrans-73.212.2177.4-57.50000114.4L133 I139 A146 K147L133-C137 WeakPolarHBondContact O-CB 3.42Å; L133-C137 PolarHBondContact O-N 3.42Å; L133-C137 PolarHBondContact O-SG 3.27Å; C137-I139 VanDerWaalsContact C-N 3.3Å; C137-A146 VanDerWaalsContact SG-CB 3.55Å; C137-K147 HydrophobicContact CB-CB 3.75Å; C137-K147 HydrophobicContact CB-CG 4.42Å
138Q43Very low42.3Very low136 Ų13679 Ų7964%0.63642%0.424SS*.THydrogen-bonded Turntrans-82.6-9.4166.2-61-175.60.700112.3I134 K135 Y136I134-Q138 WeakPolarHBondContact O-CG 3.49Å; K135-Q138 WeakPolarHBondContact O-CB 3.43Å; K135-Q138 PolarHBondContact O-N 3.49Å; Y136-Q138 PolarHBondContact O-N 2.85Å
139I38Very low42Very low97 Ų9777.7 Ų77.750%0.49741%0.412SS..SBendtrans-76.7125.9178.4-58.3170.6000109Y136 C137 G141 D142Y136-I139 WeakPolarHBondContact O-CG1 3.28Å; Y136-I139 PolarHBondContact O-N 3.42Å; C137-I139 VanDerWaalsContact C-N 3.3Å; I139-G141 PolarHBondContact O-N 2.85Å; I139-D142 PolarHBondContact O-N 2.88Å
140P34.5Very low41.9Very low131 Ų13177 Ų7785%0.85141%0.409SS*.THydrogen-bonded Turntrans-60.2121.4178.7-20.230.9000111.3
141G35.8Very low42Very low83 Ų8379.2 Ų79.286%0.85642%0.421SS*.THydrogen-bonded Turntrans112.7-12.5-178.300000114.6I139I139-G141 PolarHBondContact O-N 2.85Å
142D39.6Very low41.7Very low80 Ų8079.1 Ų79.143%0.42842%0.417SS..SBendtrans-80.3147.5175.6-78.6-21.3000112.4I139 P144I139-D142 PolarHBondContact O-N 2.88Å; D142-P144 WeakPolarHBondContact O-CD 3.3Å; D142-P144 VanDerWaalsContact O-N 3.14Å
143D40.6Very low41.5Very low94 Ų9474.2 Ų74.250%0.50340%0.398SS..  trans-59.5111.1-168.4-159.7-22.9000110.9I145 A146D143-I145 PolarHBondContact O-N 2.77Å; D143-I145 WeakPolarHBondContact OD1-CB 3.36Å; D143-I145 WeakPolarHBondContact OD1-CG1 3.29Å; D143-I145 PolarHBondContact OD1-N 2.89Å; D143-A146 PolarHBondContact O-N 3.31Å
144P43.9Very low41.5Very low90 Ų9077 Ų7758%0.58441%0.407SS*.Hα-helixtrans-56-24.7-177.819.8-30.6000112.3D142 A146 K147 D148D142-P144 WeakPolarHBondContact O-CD 3.3Å; D142-P144 VanDerWaalsContact O-N 3.14Å; P144-A146 VanDerWaalsContact C-N 3.33Å; P144-A146 PolarHBondContact O-N 3.5Å; P144-K147 PolarHBondContact O-N 2.81Å; P144-D148 PolarHBondContact O-N 3.44Å; P144-D148 VanDerWaalsContact O-N 3.15Å
145I38.7Very low41.3Very low100 Ų10082.2 Ų82.251%0.51343%0.43SS..Hα-helixtrans-56.6-45.8174.9-61.4174.4000110.8D143 K147 D148 F149D143-I145 PolarHBondContact O-N 2.77Å; D143-I145 WeakPolarHBondContact OD1-CB 3.36Å; D143-I145 WeakPolarHBondContact OD1-CG1 3.29Å; D143-I145 PolarHBondContact OD1-N 2.89Å; I145-K147 VanDerWaalsContact C-N 3.3Å; I145-K147 PolarHBondContact O-N 2.71Å; I145-D148 PolarHBondContact O-N 3.32Å; I145-F149 WeakPolarHBondContact O-CB 3.35Å; I145-F149 PolarHBondContact O-N 3.34Å
146A38.5Very low41Very low12 Ų1276 Ų7610%0.09940%0.404CS..Hα-helixtrans-65.9-31-175.700000113.1C137 D143 P144 A150 F169C137-A146 VanDerWaalsContact SG-CB 3.55Å; D143-A146 PolarHBondContact O-N 3.31Å; P144-A146 VanDerWaalsContact C-N 3.33Å; P144-A146 PolarHBondContact O-N 3.5Å; A146-A150 WeakPolarHBondContact O-CB 3.18Å; A146-A150 PolarHBondContact O-N 3.48Å; A146-F169 HydrophobicContact CB-CZ 4.42Å
147K45Very low40.7Very low84 Ų8471.4 Ų71.437%0.36540%0.398SS..Hα-helixtrans-72.2-48.8175.2-173.9-178.4176-176.20111.7C137 P144 I145 F149 A150 N151C137-K147 HydrophobicContact CB-CB 3.75Å; C137-K147 HydrophobicContact CB-CG 4.42Å; P144-K147 PolarHBondContact O-N 2.81Å; I145-K147 VanDerWaalsContact C-N 3.3Å; I145-K147 PolarHBondContact O-N 2.71Å; K147-F149 PolarHBondContact O-N 3.03Å; K147-A150 PolarHBondContact O-N 3.22Å; K147-N151 WeakPolarHBondContact O-CB 3.49Å; K147-N151 PolarHBondContact O-N 3.39Å; K147-N151 PolarHBondContact O-ND2 3.02Å
148D43.1Very low40.8Very low109 Ų10970.7 Ų70.758%0.58339%0.393SS*.Hα-helixtrans-62.3-38.8177.9-71.5-14.8000110.5P144 I145 F152P144-D148 PolarHBondContact O-N 3.44Å; P144-D148 VanDerWaalsContact O-N 3.15Å; I145-D148 PolarHBondContact O-N 3.32Å; D148-F152 VanDerWaalsContact O-CB 3.3Å; D148-F152 WeakPolarHBondContact O-CB 3.45Å; D148-F152 PolarHBondContact O-N 3.36Å
149F40.3Very low40.7Very low20 Ų2066.8 Ų66.89%0.08838%0.376CS..Hα-helixtrans-62.7-48.2173.1-148.5-94.7000111.6F51 I145 K147 N151 F152 F153 F169F51-F149 AromaticContact CE1-CE2 3.77Å; F51-F149 HydrophobicContact CE1-CE2 3.77Å; F51-F149 AromaticContact CE1-CZ 3.51Å; F51-F149 HydrophobicContact CE1-CZ 3.51Å; F51-F149 HydrophobicContact CE2-CE2 4.36Å; F51-F149 HydrophobicContact CZ-CD2 4.17Å; F51-F149 HydrophobicContact CZ-CE1 4.35Å; F51-F149 AromaticContact CZ-CE2 3.26Å; F51-F149 HydrophobicContact CZ-CE2 3.26Å; F51-F149 AromaticContact CZ-CZ 3.37Å; F51-F149 HydrophobicContact CZ-CZ 3.37Å; I145-F149 WeakPolarHBondContact O-CB 3.35Å; I145-F149 PolarHBondContact O-N 3.34Å; K147-F149 PolarHBondContact O-N 3.03Å; F149-N151 PolarHBondContact O-N 2.98Å; F149-F152 WeakPolarHBondContact O-CB 3.33Å; F149-F152 PolarHBondContact O-N 3.37Å; F149-F153 AromaticContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CD2 3.78Å; F149-F153 AromaticContact CD1-CE2 3.12Å; F149-F153 HydrophobicContact CD1-CE2 3.12Å; F149-F153 AromaticContact CD1-CZ 3.75Å; F149-F153 HydrophobicContact CD1-CZ 3.75Å; F149-F153 HydrophobicContact CE1-CD2 4.08Å; F149-F153 HydrophobicContact CE1-CE1 4.49Å; F149-F153 AromaticContact CE1-CE2 2.99Å; F149-F153 HydrophobicContact CE1-CE2 2.99Å; F149-F153 AromaticContact CE1-CZ 3.22Å; F149-F153 HydrophobicContact CE1-CZ 3.22Å; F149-F153 HydrophobicContact CG-CD2 4.5Å; F149-F153 AromaticContact CG-CE2 4Å; F149-F153 HydrophobicContact CG-CE2 4Å; F149-F153 AromaticContact CZ-CE2 3.82Å; F149-F153 HydrophobicContact CZ-CE2 3.82Å; F149-F153 HydrophobicContact CZ-CZ 4.08Å; F149-F153 WeakPolarHBondContact O-CD2 3.44Å; F149-F153 PolarHBondContact O-N 3.34Å; F149-F169 HydrophobicContact CB-CE2 4.41Å; F149-F169 AromaticContact CD1-CD2 3.27Å; F149-F169 HydrophobicContact CD1-CD2 3.27Å; F149-F169 AromaticContact CD1-CE2 3.6Å; F149-F169 HydrophobicContact CD1-CE2 3.6Å; F149-F169 HydrophobicContact CD1-CG 4.26Å; F149-F169 HydrophobicContact CE1-CB 4Å; F149-F169 AromaticContact CE1-CD2 3.24Å; F149-F169 HydrophobicContact CE1-CD2 3.24Å; F149-F169 HydrophobicContact CE1-CE2 4.05Å; F149-F169 HydrophobicContact CE1-CG 4.02Å; F149-F169 HydrophobicContact CG-CD2 4.21Å; F149-F169 HydrophobicContact CG-CE2 4.22Å; F149-F169 HydrophobicContact CZ-CD2 4.14Å
150A43.5Very low40.9Very low2 Ų266.1 Ų66.12%0.01737%0.371CS..Hα-helixtrans-66.5-37179.500000113.1L133 I134 A146 K147 F153 W154L133-A150 HydrophobicContact CB-CB 3.79Å; I134-A150 HydrophobicContact CD1-CB 4.3Å; I134-A150 HydrophobicContact CG1-CB 3.58Å; A146-A150 WeakPolarHBondContact O-CB 3.18Å; A146-A150 PolarHBondContact O-N 3.48Å; K147-A150 PolarHBondContact O-N 3.22Å; A150-F153 PolarHBondContact O-N 3.41Å; A150-W154 PolarHBondContact O-N 3Å
151N45Very low41.4Very low51 Ų5159.9 Ų59.927%0.27333%0.33SS..Hα-helixtrans-61.7-44.9171.5-75.9-28000111.2I134 K147 F149 F153 W154 H155I134-N151 WeakPolarHBondContact CD1-OD1 3.23Å; K147-N151 WeakPolarHBondContact O-CB 3.49Å; K147-N151 PolarHBondContact O-N 3.39Å; K147-N151 PolarHBondContact O-ND2 3.02Å; F149-N151 PolarHBondContact O-N 2.98Å; N151-F153 VanDerWaalsContact C-N 3.29Å; N151-F153 PolarHBondContact O-N 2.9Å; N151-W154 WeakPolarHBondContact O-CB 3.42Å; N151-W154 PolarHBondContact O-N 3.35Å; N151-H155 PolarHBondContact O-CD2 2.93Å; N151-H155 PolarHBondContact O-N 3.24Å; N151-H155 VanDerWaalsContact O-N 3.08Å
152F41.3Very low41.9Very low75 Ų7556.3 Ų56.333%0.32929%0.291SS..Hα-helixtrans-56.7-43.4176.2177.3-109.6000111.7P13 F47 F51 D148 F149 H155 M156 M165P13-F152 HydrophobicContact CG-CE2 4.09Å; P13-F152 HydrophobicContact CG-CZ 3.84Å; F47-F152 HydrophobicContact CZ-CZ 4.35Å; F51-F152 HydrophobicContact CD2-CE1 4.49Å; F51-F152 HydrophobicContact CE2-CD1 4.44Å; F51-F152 AromaticContact CE2-CE1 3.86Å; F51-F152 HydrophobicContact CE2-CE1 3.86Å; D148-F152 VanDerWaalsContact O-CB 3.3Å; D148-F152 WeakPolarHBondContact O-CB 3.45Å; D148-F152 PolarHBondContact O-N 3.36Å; F149-F152 WeakPolarHBondContact O-CB 3.33Å; F149-F152 PolarHBondContact O-N 3.37Å; F152-H155 PolarHBondContact O-N 3.41Å; F152-M156 HydrophobicContact CD1-CE 3.7Å; F152-M156 HydrophobicContact CE1-CE 3.06Å; F152-M156 HydrophobicContact CE2-CE 4.45Å; F152-M156 HydrophobicContact CZ-CE 3.5Å; F152-M156 WeakPolarHBondContact O-CB 3.37Å; F152-M156 PolarHBondContact O-N 2.83Å; F152-M165 HydrophobicContact CE1-CE 4.07Å
153F42.8Very low42.2Very low9 Ų952.6 Ų52.64%0.03927%0.272CS..Hα-helixtrans-68.5-39.3176.6-81.4-118.1000112.8F149 A150 N151 H155 M156 L162 M165F149-F153 AromaticContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CD2 3.78Å; F149-F153 AromaticContact CD1-CE2 3.12Å; F149-F153 HydrophobicContact CD1-CE2 3.12Å; F149-F153 AromaticContact CD1-CZ 3.75Å; F149-F153 HydrophobicContact CD1-CZ 3.75Å; F149-F153 HydrophobicContact CE1-CD2 4.08Å; F149-F153 HydrophobicContact CE1-CE1 4.49Å; F149-F153 AromaticContact CE1-CE2 2.99Å; F149-F153 HydrophobicContact CE1-CE2 2.99Å; F149-F153 AromaticContact CE1-CZ 3.22Å; F149-F153 HydrophobicContact CE1-CZ 3.22Å; F149-F153 HydrophobicContact CG-CD2 4.5Å; F149-F153 AromaticContact CG-CE2 4Å; F149-F153 HydrophobicContact CG-CE2 4Å; F149-F153 AromaticContact CZ-CE2 3.82Å; F149-F153 HydrophobicContact CZ-CE2 3.82Å; F149-F153 HydrophobicContact CZ-CZ 4.08Å; F149-F153 WeakPolarHBondContact O-CD2 3.44Å; F149-F153 PolarHBondContact O-N 3.34Å; A150-F153 PolarHBondContact O-N 3.41Å; N151-F153 VanDerWaalsContact C-N 3.29Å; N151-F153 PolarHBondContact O-N 2.9Å; F153-H155 PolarHBondContact O-N 2.75Å; F153-M156 PolarHBondContact O-N 3.43Å; F153-L162 HydrophobicContact CB-CD1 3.86Å; F153-L162 HydrophobicContact CD1-CD1 3.72Å; F153-L162 HydrophobicContact CD1-CG 4.33Å; F153-L162 HydrophobicContact CG-CD1 4.11Å; F153-L162 WeakPolarHBondContact O-CD1 3.25Å; F153-M165 HydrophobicContact CD1-CB 4.34Å; F153-M165 VanDerWaalsContact CE1-C 3.46Å; F153-M165 HydrophobicContact CE1-CB 3.26Å; F153-M165 HydrophobicContact CE2-CB 4.34Å; F153-M165 HydrophobicContact CE2-CE 4.06Å; F153-M165 HydrophobicContact CZ-CB 3.31Å; F153-M165 HydrophobicContact CZ-CE 4.01Å; F153-M165 HydrophobicContact CZ-CG 4.44Å
154W42Very low42.5Very low87 Ų8748.4 Ų48.433%0.3325%0.25SC..Hα-helixtrans-59.2-35.5176.3-175.7-102.4000112.3R127 C130 D131 I134 A150 N151R127-W154 HydrophobicContact CB-CZ3 4.02Å; R127-W154 HydrophobicContact CG-CE3 4.32Å; R127-W154 HydrophobicContact CG-CZ3 3.89Å; C130-W154 HydrophobicContact CB-CE3 4.39Å; D131-W154 WeakPolarHBondContact OD1-CH2 2.95Å; D131-W154 WeakPolarHBondContact OD1-CZ3 3.34Å; I134-W154 HydrophobicContact CD1-CB 4.45Å; A150-W154 PolarHBondContact O-N 3Å; N151-W154 WeakPolarHBondContact O-CB 3.42Å; N151-W154 PolarHBondContact O-N 3.35Å
155H42.5Very low42.7Very low141 Ų14144.2 Ų44.265%0.65322%0.222SC*.Hα-helixtrans-90.5-9.2179.7-64-55.6000114.2N151 F152 F153 A157N151-H155 PolarHBondContact O-CD2 2.93Å; N151-H155 PolarHBondContact O-N 3.24Å; N151-H155 VanDerWaalsContact O-N 3.08Å; F152-H155 PolarHBondContact O-N 3.41Å; F153-H155 PolarHBondContact O-N 2.75Å; H155-A157 PolarHBondContact O-N 3.35Å
156M40.4Very low43.2Very low20 Ų2040.4 Ų40.410%0.09920%0.202CC..  trans-70.7124.3-179.6-175.1178-6900110.8F152 F153 L161 L162 M165F152-M156 HydrophobicContact CD1-CE 3.7Å; F152-M156 HydrophobicContact CE1-CE 3.06Å; F152-M156 HydrophobicContact CE2-CE 4.45Å; F152-M156 HydrophobicContact CZ-CE 3.5Å; F152-M156 WeakPolarHBondContact O-CB 3.37Å; F152-M156 PolarHBondContact O-N 2.83Å; F153-M156 PolarHBondContact O-N 3.43Å; M156-L161 HydrophobicContact CE-CD2 3.7Å; M156-L161 HydrophobicContact CG-CD2 4.31Å; M156-L161 HydrophobicContact SD-CB 4.15Å; M156-L161 HydrophobicContact SD-CD2 3.3Å; M156-L161 WeakPolarHBondContact SD-CD2 3.41Å; M156-L161 HydrophobicContact SD-CG 3.91Å; M156-L162 HydrophobicContact CB-CD1 3.91Å; M156-L162 HydrophobicContact CG-CD1 4.32Å; M156-L162 HydrophobicContact SD-CB 4.45Å; M156-L162 HydrophobicContact SD-CD1 4.06Å; M156-M165 HydrophobicContact CE-CE 4.06Å
157A36.8Very low43.6Very low59 Ų5941.6 Ų41.649%0.48821%0.205SC..  trans-79.3-26.1-175.800000113.5H155H155-A157 PolarHBondContact O-N 3.35Å
158D41.8Very low43.6Very low4 Ų437.9 Ų37.92%0.02119%0.189CC..  trans-88.8111.3-176.5-169.5-36.7000112I6 L10 H160 L161 L162I6-D158 HydrophobicContact CG2-CB 3.77Å; I6-D158 WeakPolarHBondContact CG2-OD2 3.1Å; L10-D158 HydrophobicContact CD2-CB 4.14Å; D158-H160 WeakPolarHBondContact OD1-CA 3.19Å; D158-H160 WeakPolarHBondContact OD1-CB 3.39Å; D158-H160 PolarHBondContact OD1-N 3.46Å; D158-L161 HydrophobicContact CB-CB 3.87Å; D158-L161 PolarHBondContact OD1-N 3.41Å; D158-L162 VanDerWaalsContact O-CB 3.26Å; D158-L162 WeakPolarHBondContact O-CB 3.36Å; D158-L162 PolarHBondContact O-N 2.87Å
159L40.4Very low43.6Very low55 Ų5533 Ų3329%0.28816%0.162SC..Hα-helixtrans-70.1-31.2178.8-79.298.8000114.7F119 Y123 L162 T163F119-L159 HydrophobicContact CD1-CD2 4.46Å; F119-L159 HydrophobicContact CE1-CB 4.07Å; F119-L159 HydrophobicContact CE1-CD2 3.53Å; F119-L159 HydrophobicContact CE1-CG 4.36Å; F119-L159 HydrophobicContact CE2-CB 3.94Å; F119-L159 HydrophobicContact CZ-CB 3.27Å; F119-L159 HydrophobicContact CZ-CD2 3.63Å; F119-L159 HydrophobicContact CZ-CG 4.03Å; Y123-L159 HydrophobicContact CD2-CD2 3.18Å; Y123-L159 HydrophobicContact CD2-CG 3.86Å; Y123-L159 HydrophobicContact CE2-CD2 3.52Å; Y123-L159 HydrophobicContact CE2-CG 3.84Å; Y123-L159 HydrophobicContact CG-CD2 3.76Å; L159-L162 WeakPolarHBondContact O-CB 3.37Å; L159-T163 PolarHBondContact O-N 3.21Å; L159-T163 VanDerWaalsContact O-N 3.12Å; L159-T163 PolarHBondContact O-OG1 2.92Å
160H42.7Very low43.9Very low83 Ų8336.6 Ų36.638%0.38418%0.178SC..Hα-helixtrans-69.2-43.8176.9-73.884.5000110.1L115 D158 T163 V164L115-H160 HydrophobicContact CD2-CB 4.44Å; D158-H160 WeakPolarHBondContact OD1-CA 3.19Å; D158-H160 WeakPolarHBondContact OD1-CB 3.39Å; D158-H160 PolarHBondContact OD1-N 3.46Å; H160-T163 WeakPolarHBondContact O-CB 3.42Å; H160-T163 PolarHBondContact O-N 2.96Å; H160-V164 PolarHBondContact O-N 3.27Å
161L44.8Very low44Very low0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-63.3-46.3174.5-170.777.6000111.3L10 I44 F47 L48 M156 D158 T163 V164 M165L10-L161 HydrophobicContact CD2-CB 4.01Å; L10-L161 HydrophobicContact CD2-CD1 4.2Å; L10-L161 HydrophobicContact CD2-CD2 3.06Å; L10-L161 HydrophobicContact CD2-CG 3.88Å; I44-L161 HydrophobicContact CG2-CD1 4.28Å; F47-L161 HydrophobicContact CB-CD1 4.49Å; F47-L161 HydrophobicContact CD1-CD1 3.22Å; F47-L161 HydrophobicContact CD1-CD2 3.46Å; F47-L161 VanDerWaalsContact CD1-CD2 3.46Å; F47-L161 HydrophobicContact CD1-CG 3.89Å; F47-L161 HydrophobicContact CE1-CD1 3.69Å; F47-L161 HydrophobicContact CE1-CD2 3.1Å; F47-L161 HydrophobicContact CE1-CG 3.86Å; F47-L161 HydrophobicContact CE2-CD2 4.39Å; F47-L161 HydrophobicContact CG-CD1 4.09Å; F47-L161 HydrophobicContact CG-CD2 4.23Å; F47-L161 HydrophobicContact CZ-CD2 3.6Å; L48-L161 HydrophobicContact CD1-CD1 4.35Å; L48-L161 HydrophobicContact CD2-CD1 3.48Å; L48-L161 VanDerWaalsContact CD2-CD1 3.48Å; L48-L161 HydrophobicContact CG-CD1 3.61Å; M156-L161 HydrophobicContact CE-CD2 3.7Å; M156-L161 HydrophobicContact CG-CD2 4.31Å; M156-L161 HydrophobicContact SD-CB 4.15Å; M156-L161 HydrophobicContact SD-CD2 3.3Å; M156-L161 WeakPolarHBondContact SD-CD2 3.41Å; M156-L161 HydrophobicContact SD-CG 3.91Å; D158-L161 HydrophobicContact CB-CB 3.87Å; D158-L161 PolarHBondContact OD1-N 3.41Å; L161-T163 PolarHBondContact O-N 3.04Å; L161-T163 VanDerWaalsContact O-N 3.15Å; L161-V164 PolarHBondContact O-N 3Å; L161-V164 VanDerWaalsContact O-N 3.16Å; L161-M165 HydrophobicContact CD1-CG 4.24Å; L161-M165 HydrophobicContact CD2-CG 4.38Å; L161-M165 HydrophobicContact CG-CG 3.84Å; L161-M165 VanDerWaalsContact O-CB 3.26Å; L161-M165 WeakPolarHBondContact O-CB 3.41Å; L161-M165 WeakPolarHBondContact O-CG 3.22Å; L161-M165 PolarHBondContact O-N 3.47Å
162L46.1Very low43.7Very low7 Ų739.5 Ų39.54%0.03719%0.193CC..Hα-helixtrans-50.8-40.7176.3-159.877.5000111.3Y123 L126 F153 M156 D158 L159 Y166Y123-L162 HydrophobicContact CD2-CD2 4.23Å; Y123-L162 HydrophobicContact CE2-CD2 4.19Å; L126-L162 HydrophobicContact CD2-CB 4.1Å; L126-L162 HydrophobicContact CD2-CD2 3.53Å; L126-L162 HydrophobicContact CD2-CG 3.43Å; L126-L162 VanDerWaalsContact CD2-CG 3.43Å; L126-L162 WeakPolarHBondContact CD2-O 3.34Å; L126-L162 HydrophobicContact CG-CD2 3.83Å; L126-L162 HydrophobicContact CG-CG 4.02Å; F153-L162 HydrophobicContact CB-CD1 3.86Å; F153-L162 HydrophobicContact CD1-CD1 3.72Å; F153-L162 HydrophobicContact CD1-CG 4.33Å; F153-L162 HydrophobicContact CG-CD1 4.11Å; F153-L162 WeakPolarHBondContact O-CD1 3.25Å; M156-L162 HydrophobicContact CB-CD1 3.91Å; M156-L162 HydrophobicContact CG-CD1 4.32Å; M156-L162 HydrophobicContact SD-CB 4.45Å; M156-L162 HydrophobicContact SD-CD1 4.06Å; D158-L162 VanDerWaalsContact O-CB 3.26Å; D158-L162 WeakPolarHBondContact O-CB 3.36Å; D158-L162 PolarHBondContact O-N 2.87Å; L159-L162 WeakPolarHBondContact O-CB 3.37Å; L162-Y166 VanDerWaalsContact O-CB 3.31Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 2.62Å
163T45.2Very low43.5Very low2 Ų238.3 Ų38.31%0.01219%0.192CC..Hα-helixtrans-66.2-47.5-179.9-51.40000113.3V111 L115 F122 L159 H160 L161 M165 Y166 E167V111-T163 HydrophobicContact CG1-CG2 3.48Å; V111-T163 VanDerWaalsContact CG1-CG2 3.48Å; L115-T163 HydrophobicContact CD2-CG2 3.64Å; L115-T163 HydrophobicContact CG-CG2 3.93Å; F122-T163 HydrophobicContact CD1-CG2 3.68Å; F122-T163 WeakPolarHBondContact CD1-OG1 3.28Å; F122-T163 HydrophobicContact CD2-CG2 4.12Å; F122-T163 HydrophobicContact CE1-CG2 3.21Å; F122-T163 WeakPolarHBondContact CE1-OG1 3.45Å; F122-T163 HydrophobicContact CE2-CG2 3.67Å; F122-T163 HydrophobicContact CG-CG2 4.13Å; F122-T163 VanDerWaalsContact CZ-CA 3.43Å; F122-T163 HydrophobicContact CZ-CG2 3.21Å; L159-T163 PolarHBondContact O-N 3.21Å; L159-T163 VanDerWaalsContact O-N 3.12Å; L159-T163 PolarHBondContact O-OG1 2.92Å; H160-T163 WeakPolarHBondContact O-CB 3.42Å; H160-T163 PolarHBondContact O-N 2.96Å; L161-T163 PolarHBondContact O-N 3.04Å; L161-T163 VanDerWaalsContact O-N 3.15Å; T163-M165 VanDerWaalsContact C-N 3.35Å; T163-Y166 WeakPolarHBondContact O-CB 3.4Å; T163-Y166 PolarHBondContact O-N 2.83Å; T163-E167 PolarHBondContact O-N 3.39Å
164V47Very low43.3Very low7 Ų739.5 Ų39.54%0.04220%0.198CC..Hα-helixtrans-65.5-44.6178.41780000110.8L48 L108 V111 L115 H160 L161 Y166 E167 Y168L48-V164 HydrophobicContact CD1-CB 4.08Å; L48-V164 HydrophobicContact CD1-CG1 3.71Å; L48-V164 HydrophobicContact CD1-CG2 4.08Å; L48-V164 HydrophobicContact CD2-CB 3.76Å; L48-V164 HydrophobicContact CD2-CG1 3.39Å; L48-V164 HydrophobicContact CG-CG1 4.15Å; L108-V164 HydrophobicContact CD2-CG1 3.44Å; L108-V164 VanDerWaalsContact CD2-CG1 3.44Å; V111-V164 HydrophobicContact CB-CG2 4.22Å; V111-V164 HydrophobicContact CG1-CB 4.31Å; V111-V164 HydrophobicContact CG1-CG2 3.61Å; V111-V164 HydrophobicContact CG2-CG2 4.48Å; L115-V164 HydrophobicContact CD1-CG2 4.44Å; H160-V164 PolarHBondContact O-N 3.27Å; L161-V164 PolarHBondContact O-N 3Å; L161-V164 VanDerWaalsContact O-N 3.16Å; V164-Y166 PolarHBondContact O-N 3.39Å; V164-E167 PolarHBondContact O-N 3.18Å; V164-Y168 VanDerWaalsContact O-CB 3.29Å; V164-Y168 WeakPolarHBondContact O-CB 3.5Å; V164-Y168 PolarHBondContact O-N 2.94Å; V164-Y168 VanDerWaalsContact O-N 3.08Å
165M48.1Very low42.9Very low1 Ų139.7 Ų39.71%0.00521%0.21CC..Hα-helixtrans-63.7-30.7-179.1-64.9-82.2-73.100111.5F47 L48 F51 F152 F153 M156 L161 T163 F169F47-M165 HydrophobicContact CE1-CE 4.11Å; F47-M165 HydrophobicContact CE1-SD 4.08Å; L48-M165 HydrophobicContact CD2-CG 3.94Å; L48-M165 HydrophobicContact CD2-SD 3.88Å; F51-M165 HydrophobicContact CB-SD 4.26Å; F51-M165 HydrophobicContact CD1-CE 3.27Å; F51-M165 HydrophobicContact CD1-SD 3.23Å; F51-M165 WeakPolarHBondContact CD1-SD 3.43Å; F51-M165 HydrophobicContact CD2-CE 3.58Å; F51-M165 HydrophobicContact CD2-SD 4.37Å; F51-M165 HydrophobicContact CE1-CE 3.07Å; F51-M165 HydrophobicContact CE1-SD 3.53Å; F51-M165 VanDerWaalsContact CE1-SD 3.53Å; F51-M165 HydrophobicContact CE2-CE 3.38Å; F51-M165 HydrophobicContact CG-CE 3.49Å; F51-M165 VanDerWaalsContact CG-CE 3.49Å; F51-M165 HydrophobicContact CG-SD 3.68Å; F51-M165 HydrophobicContact CZ-CE 3.09Å; F51-M165 HydrophobicContact CZ-SD 4.19Å; F152-M165 HydrophobicContact CE1-CE 4.07Å; F153-M165 HydrophobicContact CD1-CB 4.34Å; F153-M165 VanDerWaalsContact CE1-C 3.46Å; F153-M165 HydrophobicContact CE1-CB 3.26Å; F153-M165 HydrophobicContact CE2-CB 4.34Å; F153-M165 HydrophobicContact CE2-CE 4.06Å; F153-M165 HydrophobicContact CZ-CB 3.31Å; F153-M165 HydrophobicContact CZ-CE 4.01Å; F153-M165 HydrophobicContact CZ-CG 4.44Å; M156-M165 HydrophobicContact CE-CE 4.06Å; L161-M165 HydrophobicContact CD1-CG 4.24Å; L161-M165 HydrophobicContact CD2-CG 4.38Å; L161-M165 HydrophobicContact CG-CG 3.84Å; L161-M165 VanDerWaalsContact O-CB 3.26Å; L161-M165 WeakPolarHBondContact O-CB 3.41Å; L161-M165 WeakPolarHBondContact O-CG 3.22Å; L161-M165 PolarHBondContact O-N 3.47Å; T163-M165 VanDerWaalsContact C-N 3.35Å; M165-F169 WeakPolarHBondContact O-CB 3.42Å; M165-F169 PolarHBondContact O-N 2.98Å
166Y49Very low42.4Very low21 Ų2144.8 Ų44.88%0.08222%0.224CC..Hα-helixtrans-67.6-52.9174.6166.3-99.5000113.4F122 L126 M129 L162 T163 V164 Y168 F169 K170F122-Y166 AromaticContact CE2-CD1 3.55Å; F122-Y166 HydrophobicContact CE2-CD1 3.55Å; F122-Y166 AromaticContact CE2-CE1 3.88Å; F122-Y166 HydrophobicContact CE2-CE1 3.88Å; F122-Y166 HydrophobicContact CE2-CG 4.39Å; F122-Y166 AromaticContact CZ-CD1 3.51Å; F122-Y166 HydrophobicContact CZ-CD1 3.51Å; F122-Y166 HydrophobicContact CZ-CE1 4.24Å; F122-Y166 AromaticContact CZ-CG 3.92Å; F122-Y166 HydrophobicContact CZ-CG 3.92Å; L126-Y166 HydrophobicContact CD1-CD2 3.26Å; L126-Y166 HydrophobicContact CD1-CE2 4Å; L126-Y166 HydrophobicContact CD1-CG 3.73Å; L126-Y166 HydrophobicContact CD2-CG 4.29Å; L126-Y166 HydrophobicContact CG-CD2 4.43Å; M129-Y166 HydrophobicContact CB-CE2 4.25Å; M129-Y166 HydrophobicContact CE-CD2 3.27Å; M129-Y166 HydrophobicContact CE-CE2 3.26Å; M129-Y166 HydrophobicContact CG-CE2 4.4Å; M129-Y166 HydrophobicContact SD-CD2 4.04Å; M129-Y166 HydrophobicContact SD-CE2 3.35Å; M129-Y166 WeakPolarHBondContact SD-CE2 3.5Å; L162-Y166 VanDerWaalsContact O-CB 3.31Å; L162-Y166 WeakPolarHBondContact O-CB 3.43Å; L162-Y166 PolarHBondContact O-N 2.62Å; T163-Y166 WeakPolarHBondContact O-CB 3.4Å; T163-Y166 PolarHBondContact O-N 2.83Å; V164-Y166 PolarHBondContact O-N 3.39Å; Y166-Y168 PolarHBondContact O-N 3.12Å; Y166-F169 PolarHBondContact O-N 3.21Å; Y166-F169 VanDerWaalsContact O-N 3.12Å; Y166-K170 HydrophobicContact CE1-CD 4.29Å; Y166-K170 WeakPolarHBondContact O-CB 3.45Å; Y166-K170 PolarHBondContact O-N 3.09Å
167E48.5Very low41.9Very low37 Ų3751.1 Ų51.117%0.17326%0.258CS..Hα-helixtrans-61.3-33.4178.2-77.8-60.7142.100110.4V111 T163 V164 K170 A171V111-E167 HydrophobicContact CG2-CB 3.47Å; V111-E167 VanDerWaalsContact CG2-CB 3.47Å; V111-E167 HydrophobicContact CG2-CG 3.49Å; V111-E167 VanDerWaalsContact CG2-CG 3.49Å; T163-E167 PolarHBondContact O-N 3.39Å; V164-E167 PolarHBondContact O-N 3.18Å; E167-K170 IonicContact OE1-NZ 3.88Å; E167-K170 IonicContact OE2-NZ 3.03Å; E167-A171 VanDerWaalsContact O-CB 3.29Å; E167-A171 WeakPolarHBondContact O-CB 3.36Å; E167-A171 PolarHBondContact O-N 2.73Å
168Y44Very low41.6Very low6 Ų652.6 Ų52.62%0.02426%0.261CS..Hα-helixtrans-66.5-45.4174-162.4-72.7000112.7V52 V56 L104 V164 Y166 K170 A171 Y172V52-Y168 HydrophobicContact CB-CE2 4.31Å; V52-Y168 HydrophobicContact CG1-CE2 3.87Å; V52-Y168 WeakPolarHBondContact CG1-OH 3.38Å; V52-Y168 HydrophobicContact CG2-CD2 3.78Å; V52-Y168 HydrophobicContact CG2-CE1 4.36Å; V52-Y168 HydrophobicContact CG2-CE2 3.48Å; V52-Y168 VanDerWaalsContact CG2-CE2 3.48Å; V52-Y168 HydrophobicContact CG2-CG 4.27Å; V56-Y168 HydrophobicContact CB-CD1 4.36Å; V56-Y168 HydrophobicContact CB-CE1 3.33Å; V56-Y168 VanDerWaalsContact CB-OH 3.29Å; V56-Y168 WeakPolarHBondContact CB-OH 3.37Å; V56-Y168 HydrophobicContact CG1-CD1 4.32Å; V56-Y168 HydrophobicContact CG1-CE1 3.15Å; V56-Y168 WeakPolarHBondContact CG1-OH 3.34Å; V56-Y168 HydrophobicContact CG2-CD1 3.53Å; V56-Y168 HydrophobicContact CG2-CE1 2.95Å; L104-Y168 HydrophobicContact CD1-CD2 4.02Å; L104-Y168 HydrophobicContact CD1-CE2 3.78Å; V164-Y168 VanDerWaalsContact O-CB 3.29Å; V164-Y168 WeakPolarHBondContact O-CB 3.5Å; V164-Y168 PolarHBondContact O-N 2.94Å; V164-Y168 VanDerWaalsContact O-N 3.08Å; Y166-Y168 PolarHBondContact O-N 3.12Å; Y168-K170 PolarHBondContact O-N 2.98Å; Y168-A171 WeakPolarHBondContact O-CB 3.37Å; Y168-A171 PolarHBondContact O-N 3.4Å; Y168-Y172 HydrophobicContact CD1-CD2 4.31Å; Y168-Y172 AromaticContact CE1-CD2 3.46Å; Y168-Y172 HydrophobicContact CE1-CD2 3.46Å; Y168-Y172 VanDerWaalsContact CE1-CD2 3.46Å; Y168-Y172 HydrophobicContact CE1-CE2 4.11Å; Y168-Y172 AromaticContact CE1-CG 3.84Å; Y168-Y172 HydrophobicContact CE1-CG 3.84Å; Y168-Y172 HydrophobicContact CE2-CD2 4.09Å; Y168-Y172 HydrophobicContact CE2-CE2 4.06Å; Y168-Y172 AromaticContact CZ-CD2 3.42Å; Y168-Y172 VanDerWaalsContact CZ-CD2 3.42Å; Y168-Y172 AromaticContact CZ-CE2 3.56Å; Y168-Y172 PolarHBondContact O-N 2.99Å; Y168-Y172 WeakPolarHBondContact OH-CD2 3.02Å; Y168-Y172 VanDerWaalsContact OH-CE2 3.25Å; Y168-Y172 WeakPolarHBondContact OH-CE2 3.26Å
169F44.2Very low41.1Very low5 Ų556.5 Ų56.52%0.02229%0.294CS..Hα-helixtrans-60.8-43.3173.7-177.2-92.3000112.3M129 L133 A146 F149 M165 Y166 A171 Y172 V173 L174M129-F169 HydrophobicContact CE-CD1 3.71Å; M129-F169 HydrophobicContact CE-CE1 4.16Å; L133-F169 HydrophobicContact CD1-CD1 4.03Å; L133-F169 HydrophobicContact CD1-CE1 3.26Å; L133-F169 HydrophobicContact CD1-CZ 3.59Å; L133-F169 HydrophobicContact CD2-CE1 3.76Å; L133-F169 HydrophobicContact CD2-CZ 3.67Å; L133-F169 HydrophobicContact CG-CE1 4.15Å; L133-F169 HydrophobicContact CG-CZ 4.28Å; A146-F169 HydrophobicContact CB-CZ 4.42Å; F149-F169 HydrophobicContact CB-CE2 4.41Å; F149-F169 AromaticContact CD1-CD2 3.27Å; F149-F169 HydrophobicContact CD1-CD2 3.27Å; F149-F169 AromaticContact CD1-CE2 3.6Å; F149-F169 HydrophobicContact CD1-CE2 3.6Å; F149-F169 HydrophobicContact CD1-CG 4.26Å; F149-F169 HydrophobicContact CE1-CB 4Å; F149-F169 AromaticContact CE1-CD2 3.24Å; F149-F169 HydrophobicContact CE1-CD2 3.24Å; F149-F169 HydrophobicContact CE1-CE2 4.05Å; F149-F169 HydrophobicContact CE1-CG 4.02Å; F149-F169 HydrophobicContact CG-CD2 4.21Å; F149-F169 HydrophobicContact CG-CE2 4.22Å; F149-F169 HydrophobicContact CZ-CD2 4.14Å; M165-F169 WeakPolarHBondContact O-CB 3.42Å; M165-F169 PolarHBondContact O-N 2.98Å; Y166-F169 PolarHBondContact O-N 3.21Å; Y166-F169 VanDerWaalsContact O-N 3.12Å; F169-A171 PolarHBondContact O-N 2.9Å; F169-Y172 PolarHBondContact O-N 3.38Å; F169-V173 HydrophobicContact CD1-CB 4.39Å; F169-V173 HydrophobicContact CD2-CB 3.45Å; F169-V173 VanDerWaalsContact CD2-CB 3.45Å; F169-V173 HydrophobicContact CD2-CG1 3.82Å; F169-V173 HydrophobicContact CD2-CG2 3.55Å; F169-V173 HydrophobicContact CE1-CB 4.28Å; F169-V173 HydrophobicContact CE1-CG1 4.39Å; F169-V173 HydrophobicContact CE2-CB 3.43Å; F169-V173 VanDerWaalsContact CE2-CB 3.43Å; F169-V173 HydrophobicContact CE2-CG1 3.24Å; F169-V173 HydrophobicContact CE2-CG2 3.88Å; F169-V173 HydrophobicContact CG-CB 4Å; F169-V173 HydrophobicContact CG-CG2 4.28Å; F169-V173 HydrophobicContact CZ-CB 3.85Å; F169-V173 HydrophobicContact CZ-CG1 3.56Å; F169-V173 WeakPolarHBondContact O-CA 3.32Å; F169-V173 WeakPolarHBondContact O-CB 3.49Å; F169-V173 PolarHBondContact O-N 3.21Å; F169-L174 HydrophobicContact CD1-CD1 4.3Å; F169-L174 HydrophobicContact CD1-CG 4.4Å; F169-L174 HydrophobicContact CE1-CD1 4.41Å; F169-L174 HydrophobicContact CE1-CG 4.13Å; F169-L174 PolarHBondContact O-N 3.08Å; F169-L174 VanDerWaalsContact O-N 3.07Å
170K45.6Very low40.3Very low97 Ų9765.2 Ų65.242%0.42232%0.323SS..Hα-helixtrans-61.5-33.5177.1179.3-177.8169.6-164.10113.1Y166 E167 Y168 L174Y166-K170 HydrophobicContact CE1-CD 4.29Å; Y166-K170 WeakPolarHBondContact O-CB 3.45Å; Y166-K170 PolarHBondContact O-N 3.09Å; E167-K170 IonicContact OE1-NZ 3.88Å; E167-K170 IonicContact OE2-NZ 3.03Å; Y168-K170 PolarHBondContact O-N 2.98Å; K170-L174 HydrophobicContact CB-CD1 3.91Å; K170-L174 HydrophobicContact CG-CD1 3.96Å
171A46.3Very low39.5Very low36 Ų3665.2 Ų65.230%0.29833%0.326SS..Hα-helixtrans-74.5-44.4176.200000114.3Y103 E167 Y168 F169Y103-A171 HydrophobicContact CE1-CB 3.52Å; Y103-A171 WeakPolarHBondContact OH-CB 3.3Å; E167-A171 VanDerWaalsContact O-CB 3.29Å; E167-A171 WeakPolarHBondContact O-CB 3.36Å; E167-A171 PolarHBondContact O-N 2.73Å; Y168-A171 WeakPolarHBondContact O-CB 3.37Å; Y168-A171 PolarHBondContact O-N 3.4Å; F169-A171 PolarHBondContact O-N 2.9Å
172Y37.7Very low38.6Very low78 Ų7870.4 Ų70.431%0.30636%0.359SS..Hα-helixtrans-107-33.2-166.3-95.9-88.7000115.3V56 Y103 Y168 F169V56-Y172 HydrophobicContact CG1-CD1 3.39Å; V56-Y172 HydrophobicContact CG1-CD2 4.02Å; V56-Y172 HydrophobicContact CG1-CE1 3.96Å; V56-Y172 HydrophobicContact CG1-CG 3.41Å; V56-Y172 VanDerWaalsContact CG1-CG 3.41Å; Y103-Y172 HydrophobicContact CD1-CD2 4.32Å; Y103-Y172 AromaticContact CD1-CE2 3.54Å; Y103-Y172 HydrophobicContact CD1-CE2 3.54Å; Y103-Y172 HydrophobicContact CE1-CD2 4Å; Y103-Y172 AromaticContact CE1-CE2 3.67Å; Y103-Y172 HydrophobicContact CE1-CE2 3.67Å; Y168-Y172 HydrophobicContact CD1-CD2 4.31Å; Y168-Y172 AromaticContact CE1-CD2 3.46Å; Y168-Y172 HydrophobicContact CE1-CD2 3.46Å; Y168-Y172 VanDerWaalsContact CE1-CD2 3.46Å; Y168-Y172 HydrophobicContact CE1-CE2 4.11Å; Y168-Y172 AromaticContact CE1-CG 3.84Å; Y168-Y172 HydrophobicContact CE1-CG 3.84Å; Y168-Y172 HydrophobicContact CE2-CD2 4.09Å; Y168-Y172 HydrophobicContact CE2-CE2 4.06Å; Y168-Y172 AromaticContact CZ-CD2 3.42Å; Y168-Y172 VanDerWaalsContact CZ-CD2 3.42Å; Y168-Y172 AromaticContact CZ-CE2 3.56Å; Y168-Y172 PolarHBondContact O-N 2.99Å; Y168-Y172 WeakPolarHBondContact OH-CD2 3.02Å; Y168-Y172 VanDerWaalsContact OH-CE2 3.25Å; Y168-Y172 WeakPolarHBondContact OH-CE2 3.26Å; F169-Y172 PolarHBondContact O-N 3.38Å
173V38.1Very low38Very low50 Ų5078.8 Ų78.830%0.30340%0.398SS..THydrogen-bonded Turntrans-106.5-33.8-170-172.40000111.7F169 P175F169-V173 HydrophobicContact CD1-CB 4.39Å; F169-V173 HydrophobicContact CD2-CB 3.45Å; F169-V173 VanDerWaalsContact CD2-CB 3.45Å; F169-V173 HydrophobicContact CD2-CG1 3.82Å; F169-V173 HydrophobicContact CD2-CG2 3.55Å; F169-V173 HydrophobicContact CE1-CB 4.28Å; F169-V173 HydrophobicContact CE1-CG1 4.39Å; F169-V173 HydrophobicContact CE2-CB 3.43Å; F169-V173 VanDerWaalsContact CE2-CB 3.43Å; F169-V173 HydrophobicContact CE2-CG1 3.24Å; F169-V173 HydrophobicContact CE2-CG2 3.88Å; F169-V173 HydrophobicContact CG-CB 4Å; F169-V173 HydrophobicContact CG-CG2 4.28Å; F169-V173 HydrophobicContact CZ-CB 3.85Å; F169-V173 HydrophobicContact CZ-CG1 3.56Å; F169-V173 WeakPolarHBondContact O-CA 3.32Å; F169-V173 WeakPolarHBondContact O-CB 3.49Å; F169-V173 PolarHBondContact O-N 3.21Å; V173-P175 WeakPolarHBondContact O-CD 3.09Å
174L38.1Very low37Very low34 Ų3487.5 Ų87.518%0.17844%0.436CS..SBendtrans-59.6116.2175.9-103.1155.1000108.9M129 F169 K170 R176 V178M129-L174 HydrophobicContact SD-CD1 4.05Å; F169-L174 HydrophobicContact CD1-CD1 4.3Å; F169-L174 HydrophobicContact CD1-CG 4.4Å; F169-L174 HydrophobicContact CE1-CD1 4.41Å; F169-L174 HydrophobicContact CE1-CG 4.13Å; F169-L174 PolarHBondContact O-N 3.08Å; F169-L174 VanDerWaalsContact O-N 3.07Å; K170-L174 HydrophobicContact CB-CD1 3.91Å; K170-L174 HydrophobicContact CG-CD1 3.96Å; L174-R176 PolarHBondContact O-N 3.34Å; L174-V178 HydrophobicContact CD2-CB 3.57Å; L174-V178 HydrophobicContact CD2-CG1 3.85Å; L174-V178 HydrophobicContact CD2-CG2 3.84Å
175P34Very low36.2Very low90 Ų9090.5 Ų90.558%0.58445%0.454SS*.  trans-56.2135.8178.9-20.530.2000107.8V173 N177 V178V173-P175 WeakPolarHBondContact O-CD 3.09Å; P175-N177 PolarHBondContact O-N 2.93Å; P175-V178 PolarHBondContact O-N 3.36Å
176R31.8Very low35.2Very low249 Ų24994.8 Ų94.894%0.9448%0.484SS*.THydrogen-bonded Turntrans-49.1-6.5-176.8-75.6-177.6174.5-178.6-2115.7L174L174-R176 PolarHBondContact O-N 3.34Å
177N29.6Very low34.1Very low153 Ų153100.6 Ų100.682%0.81852%0.517SS*.THydrogen-bonded Turntrans-106.71.5-178.2-63.7-19.7000115.7P175 A179P175-N177 PolarHBondContact O-N 2.93Å; N177-A179 PolarHBondContact O-N 2.87Å
178V30.4Very low33.1Very low89 Ų89108.4 Ų108.454%0.53955%0.546SS..  trans-85.767.5169.7-170.90000109.4L174 P175 R180L174-V178 HydrophobicContact CD2-CB 3.57Å; L174-V178 HydrophobicContact CD2-CG1 3.85Å; L174-V178 HydrophobicContact CD2-CG2 3.84Å; P175-V178 PolarHBondContact O-N 3.36Å; V178-R180 PolarHBondContact O-N 3.24Å
179A30.7Very low32.1Very low87 Ų87112.4 Ų112.472%0.71957%0.571SS**  trans-86.96.2-16700000116N177N177-A179 PolarHBondContact O-N 2.87Å
180R24.3Very low31.2Very low237 Ų237117.8 Ų117.889%0.89461%0.609SS**  trans-143.896.8-179.2-72.7-173177.6168.4-1.1113.2V178V178-R180 PolarHBondContact O-N 3.24Å
181L26.4Very low30.1Very low84 Ų84120.4 Ų120.444%0.4463%0.628SS.*  trans-96136.5155.2-81.5162000108.5
182P26.2Very low29Very low108 Ų108124.5 Ų124.570%0.70165%0.654SS**  trans-71.4136.5-172.2-13.828.5000113
183E33Very low28.2Very low184 Ų184129.6 Ų129.686%0.8668%0.681SS**  trans-86.9-3.3-162.8-88.6-177.5162.300118.2
184K24.1Very low27.5Very low184 Ų184132 Ų13280%0.870%0.7SS**  trans-124.7110.3-168.7-67.9-171.5178-176.20114.6
185V30Very low26.8Very low70 Ų70137.9 Ų137.942%0.42473%0.732SS.*  trans-138.452.7169.8-168.30000108.2Y188V185-Y188 HydrophobicContact CG1-CD2 3.91Å
186S26.2Very low26.2Very low92 Ų92137.4 Ų137.464%0.64374%0.743SS**  trans-90.64.8179.753.50000114.1
187D27.4Very low25.7Very low142 Ų142132.1 Ų132.176%0.75974%0.743SS**SBendtrans-108.110.1-169.3-65.5-4.2000114.5
188Y26.7Very low25.2Very low202 Ų202135.8 Ų135.879%0.79275%0.745SS**SBendtrans-117.84.7-172.4-70.1-78.2000116V185V185-Y188 HydrophobicContact CG1-CD2 3.91Å
189T24Very low24.9Very low89 Ų89137.2 Ų137.255%0.54676%0.758SS.*  trans-109.188.2177.151.70000109.7
190S23.9Very low24.6Very low118 Ų118138.8 Ų138.883%0.82576%0.759SS**  trans-110.8115.9156.176.60000108.6
191D22.2Very low24.5Very low152 Ų152133.3 Ų133.381%0.81376%0.757SS**  trans-65.1144.7-177.1-57.4-52.9000113.3
192S23.3Very low24.3Very low122 Ų122132.6 Ų132.685%0.85377%0.77SS**  trans-152.4113.9146.274.50000111.3
193E22.4Very low24.3Very low185 Ų185136 Ų13686%0.86478%0.781SS**  trans-68.6155.8170.1-56.3172.6139.400112.3
194S23.4Very low23.9Very low102 Ų102134.7 Ų134.771%0.71378%0.78SS**  163.2134.9120.269.60000114.8
195D22.7Very low24.2Very low156 Ų156131 Ų13183%0.83478%0.778SS**  trans77.9100138-61.7-12.7000123.9
196G21.5Very low24.2Very low80 Ų80132.7 Ų132.783%0.82579%0.792SS**  64.2112.499.600000120.4
197C21.6Very low25.1Very low138 Ų138132.7 Ų132.793%0.93279%0.792SS**  trans-151.3134.5149.8-156.60000113.6
198R19.5Very low25.3Very low230 Ų230130.6 Ų130.687%0.86879%0.789SS**  trans-100.5176.4177.8-85.2178169.2175.9-2.6110.2
199C23.9Very low25.6Very low119 Ų119125.8 Ų125.880%0.80478%0.776SS**  trans102.6143.7163.7-54.10000114.6
200T23.4Very low25.9Very low121 Ų121123.4 Ų123.474%0.74276%0.763SS**  cis170.5128.8-36.9280000105.7
201S21.9Very low26.3Very low121 Ų121121.3 Ų121.385%0.84675%0.745SS**  trans27.1131.3144.562.20000122.3
202G23.2Very low26.6Very low70 Ų70120.2 Ų120.272%0.72274%0.736SS**  trans133.4116137.700000114.9
203L25.5Very low27Very low179 Ų179118.1 Ų118.194%0.93771%0.714SS**  169.8120.6115.8-88.3160.2000112.3
204D26.1Very low27.5Very low156 Ų156114 Ų11483%0.83470%0.697SS**  trans-88.9138.4162.8-76.9-45.7000110.5
205S28.9Very low27.9Very low108 Ų108115.2 Ų115.276%0.75569%0.687SS**  trans177.9131134.132.50000112.4
206S30.6Very low28.4Very low104 Ų104114.3 Ų114.373%0.72767%0.673SS**  trans-85.5172.4-178.456.30000111.7
207S44.9Very low29.1Very low92 Ų92115.3 Ų115.364%0.64366%0.656SS**SBendcis-152.3-47.152.10000113.7S210S207-S210 VanDerWaalsContact C-OG 3.28Å; S207-S210 VanDerWaalsContact CA-OG 3.31Å; S207-S210 WeakPolarHBondContact CA-OG 3.32Å; S207-S210 PolarHBondContact O-OG 3.41Å; S207-S210 VanDerWaalsContact O-OG 3.1Å
208S32.6Very low29.8Very low99 Ų99111.7 Ų111.769%0.69263%0.629SS**SBendtrans-101.3-42.3169.8650000110.8S210 V211 E212S208-S210 PolarHBondContact O-N 3.33Å; S208-V211 PolarHBondContact O-N 2.8Å; S208-V211 VanDerWaalsContact O-N 3.11Å; S208-E212 PolarHBondContact O-N 2.98Å
209L32.7Very low30.4Very low100 Ų100106 Ų10652%0.52461%0.607SS.*Hα-helixtrans-57.9-31.7166.2-158.278.1000110.7V211 E212 I213L209-V211 VanDerWaalsContact C-N 3.3Å; L209-V211 PolarHBondContact O-N 2.81Å; L209-E212 PolarHBondContact O-N 2.83Å; L209-I213 HydrophobicContact CB-CD1 4.31Å; L209-I213 HydrophobicContact CD2-CD1 3.55Å; L209-I213 HydrophobicContact CG-CD1 3.53Å; L209-I213 HydrophobicContact CG-CG1 4.02Å; L209-I213 WeakPolarHBondContact O-CA 3.43Å; L209-I213 WeakPolarHBondContact O-CB 3.44Å; L209-I213 WeakPolarHBondContact O-CG1 3.44Å; L209-I213 PolarHBondContact O-N 2.81Å
210S28.8Very low31.2Very low39 Ų39102.5 Ų102.527%0.27358%0.579SS.*Hα-helixtrans-68.1-25.317769.30000113.7S207 S208 N214S207-S210 VanDerWaalsContact C-OG 3.28Å; S207-S210 VanDerWaalsContact CA-OG 3.31Å; S207-S210 WeakPolarHBondContact CA-OG 3.32Å; S207-S210 PolarHBondContact O-OG 3.41Å; S207-S210 VanDerWaalsContact O-OG 3.1Å; S208-S210 PolarHBondContact O-N 3.33Å; S210-N214 WeakPolarHBondContact O-CA 3.37Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.4Å; S210-N214 PolarHBondContact O-ND2 3.4Å
211V33Very low32.1Very low74 Ų74101 Ų10145%0.44857%0.565SS.*Hα-helixtrans-80.8-40.5176179.20000110.2S208 L209 N214 R215S208-V211 PolarHBondContact O-N 2.8Å; S208-V211 VanDerWaalsContact O-N 3.11Å; L209-V211 VanDerWaalsContact C-N 3.3Å; L209-V211 PolarHBondContact O-N 2.81Å; V211-N214 PolarHBondContact O-N 2.8Å; V211-R215 WeakPolarHBondContact O-CB 3.15Å; V211-R215 WeakPolarHBondContact O-CG 3.08Å; V211-R215 PolarHBondContact O-N 3.32Å
212E27.9Very low32.9Very low130 Ų13095.5 Ų95.561%0.60753%0.527SS*.Hα-helixtrans-70.8-37.5172.7-105.4-179.2166.200112.8S208 L209 R215 Y216S208-E212 PolarHBondContact O-N 2.98Å; L209-E212 PolarHBondContact O-N 2.83Å; E212-R215 CarbonylContact O-C 3.59Å; E212-R215 WeakPolarHBondContact O-CB 3.47Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-Y216 VanDerWaalsContact O-CB 3.26Å; E212-Y216 WeakPolarHBondContact O-CB 3.26Å; E212-Y216 PolarHBondContact O-N 3.26Å
213I31.7Very low33.9Very low78 Ų7897.9 Ų97.940%0.452%0.517SS..Hα-helixtrans-65.8-45.4169.2-71.3168.3000108.8L209 R215 Y216 H217L209-I213 HydrophobicContact CB-CD1 4.31Å; L209-I213 HydrophobicContact CD2-CD1 3.55Å; L209-I213 HydrophobicContact CG-CD1 3.53Å; L209-I213 HydrophobicContact CG-CG1 4.02Å; L209-I213 WeakPolarHBondContact O-CA 3.43Å; L209-I213 WeakPolarHBondContact O-CB 3.44Å; L209-I213 WeakPolarHBondContact O-CG1 3.44Å; L209-I213 PolarHBondContact O-N 2.81Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.37Å; I213-Y216 CarbonylContact O-C 3.47Å; I213-Y216 PolarHBondContact O-N 3.39Å; I213-Y216 VanDerWaalsContact O-N 3.14Å; I213-H217 WeakPolarHBondContact O-CA 3.14Å; I213-H217 WeakPolarHBondContact O-CB 3.23Å; I213-H217 PolarHBondContact O-N 3Å
214N33.3Very low34.9Very low97 Ų9794.8 Ų94.852%0.51950%0.498SS..Hα-helixtrans-62.1-39174.9-89.5-31.9000111.5S210 V211 H217 V218S210-N214 WeakPolarHBondContact O-CA 3.37Å; S210-N214 WeakPolarHBondContact O-CB 3.49Å; S210-N214 PolarHBondContact O-N 3.4Å; S210-N214 PolarHBondContact O-ND2 3.4Å; V211-N214 PolarHBondContact O-N 2.8Å; N214-H217 PolarHBondContact O-N 3.41Å; N214-V218 VanDerWaalsContact O-CB 3.3Å; N214-V218 WeakPolarHBondContact O-CB 2.82Å; N214-V218 WeakPolarHBondContact O-CG2 3.4Å; N214-V218 PolarHBondContact O-N 2.81Å
215R32Very low35.8Very low128 Ų12888.9 Ų88.948%0.48347%0.466SS..Hα-helixtrans-61.2-48.6171.8-75.1170.1-178.2-175.50.8110.3V211 E212 I213 R219V211-R215 WeakPolarHBondContact O-CB 3.15Å; V211-R215 WeakPolarHBondContact O-CG 3.08Å; V211-R215 PolarHBondContact O-N 3.32Å; E212-R215 CarbonylContact O-C 3.59Å; E212-R215 WeakPolarHBondContact O-CB 3.47Å; E212-R215 PolarHBondContact O-N 2.98Å; I213-R215 VanDerWaalsContact C-N 3.3Å; I213-R215 PolarHBondContact O-N 3.37Å; R215-R219 WeakPolarHBondContact O-CB 3.36Å; R215-R219 WeakPolarHBondContact O-CD 3Å; R215-R219 WeakPolarHBondContact O-CG 3.41Å; R215-R219 PolarHBondContact O-N 2.93Å
216Y33.4Very low36.8Very low138 Ų13886.2 Ų86.254%0.54144%0.44SS..Hα-helixtrans-63.9-38.8176.9-177.3-95.3000112.5E212 I213 R219 E220E212-Y216 VanDerWaalsContact O-CB 3.26Å; E212-Y216 WeakPolarHBondContact O-CB 3.26Å; E212-Y216 PolarHBondContact O-N 3.26Å; I213-Y216 CarbonylContact O-C 3.47Å; I213-Y216 PolarHBondContact O-N 3.39Å; I213-Y216 VanDerWaalsContact O-N 3.14Å; Y216-R219 CarbonylContact O-C 3.56Å; Y216-R219 WeakPolarHBondContact O-CB 3.42Å; Y216-R219 PolarHBondContact O-N 3.38Å; Y216-E220 HydrophobicContact CD1-CG 3.97Å; Y216-E220 HydrophobicContact CE1-CG 3.48Å; Y216-E220 VanDerWaalsContact CE1-CG 3.48Å; Y216-E220 HydrophobicContact CE2-CG 4.1Å; Y216-E220 HydrophobicContact CG-CG 4.46Å; Y216-E220 WeakPolarHBondContact O-CB 3.34Å; Y216-E220 WeakPolarHBondContact O-CG 3.38Å; Y216-E220 PolarHBondContact O-N 3.37Å
217H36.8Very low37.8Very low101 Ų10182.8 Ų82.847%0.46842%0.418SS..Hα-helixtrans-74.1-40.8-176.9-154.880.3000109.9I213 N214 R219 E220 M221I213-H217 WeakPolarHBondContact O-CA 3.14Å; I213-H217 WeakPolarHBondContact O-CB 3.23Å; I213-H217 PolarHBondContact O-N 3Å; N214-H217 PolarHBondContact O-N 3.41Å; H217-R219 VanDerWaalsContact C-N 3.33Å; H217-E220 PolarHBondContact O-N 2.82Å; H217-M221 WeakPolarHBondContact O-CA 3.39Å; H217-M221 WeakPolarHBondContact O-CB 3.4Å; H217-M221 WeakPolarHBondContact O-CG 3.31Å; H217-M221 PolarHBondContact O-N 2.99Å
218V35.9Very low38Very low62 Ų6281.2 Ų81.238%0.37640%0.4SS..Hα-helixtrans-64.3-39169173.90000110.7N214 M221 A222 L423N214-V218 VanDerWaalsContact O-CB 3.3Å; N214-V218 WeakPolarHBondContact O-CB 2.82Å; N214-V218 WeakPolarHBondContact O-CG2 3.4Å; N214-V218 PolarHBondContact O-N 2.81Å; V218-M221 HydrophobicContact CB-CE 4.41Å; V218-M221 HydrophobicContact CG2-CE 3.93Å; V218-A222 VanDerWaalsContact O-CB 3.22Å; V218-A222 WeakPolarHBondContact O-CB 3.5Å; V218-A222 PolarHBondContact O-N 2.82Å; V218-L423 HydrophobicContact CG1-CD1 4.02Å
219R32.7Very low38.8Very low110 Ų11076.8 Ų76.842%0.41537%0.369SS..Hα-helixtrans-64.4-45175.7-70.4171175.4-1790.9112.2R215 Y216 H217 A222 K223 F411R215-R219 WeakPolarHBondContact O-CB 3.36Å; R215-R219 WeakPolarHBondContact O-CD 3Å; R215-R219 WeakPolarHBondContact O-CG 3.41Å; R215-R219 PolarHBondContact O-N 2.93Å; Y216-R219 CarbonylContact O-C 3.56Å; Y216-R219 WeakPolarHBondContact O-CB 3.42Å; Y216-R219 PolarHBondContact O-N 3.38Å; H217-R219 VanDerWaalsContact C-N 3.33Å; R219-A222 PolarHBondContact O-N 3.23Å; R219-K223 WeakPolarHBondContact O-CG 2.99Å; R219-K223 PolarHBondContact O-N 3.43Å; R219-K223 VanDerWaalsContact O-N 3.1Å; R219-F411 HydrophobicContact CB-CE2 4.09Å; R219-F411 HydrophobicContact CG-CD2 4.42Å; R219-F411 HydrophobicContact CG-CE2 3.53Å; R219-F411 HydrophobicContact CG-CZ 4.08Å
220E40.8Very low39.8Very low46 Ų4672.4 Ų72.422%0.21535%0.346CS..Hα-helixtrans-72.4-41.4177.9-73.7-54.7121.100111.5Y216 H217 A222 K223 Q224Y216-E220 HydrophobicContact CD1-CG 3.97Å; Y216-E220 HydrophobicContact CE1-CG 3.48Å; Y216-E220 VanDerWaalsContact CE1-CG 3.48Å; Y216-E220 HydrophobicContact CE2-CG 4.1Å; Y216-E220 HydrophobicContact CG-CG 4.46Å; Y216-E220 WeakPolarHBondContact O-CB 3.34Å; Y216-E220 WeakPolarHBondContact O-CG 3.38Å; Y216-E220 PolarHBondContact O-N 3.37Å; H217-E220 PolarHBondContact O-N 2.82Å; E220-A222 VanDerWaalsContact C-N 3.27Å; E220-A222 PolarHBondContact O-N 3.27Å; E220-K223 PolarHBondContact O-N 3.18Å; E220-K223 IonicContact OE1-NZ 2.78Å; E220-K223 PolarHBondContact OE1-NZ 3.44Å; E220-Q224 VanDerWaalsContact O-CB 3.26Å; E220-Q224 WeakPolarHBondContact O-CB 3.26Å; E220-Q224 WeakPolarHBondContact O-CG 2.96Å; E220-Q224 PolarHBondContact O-N 3.13Å
221M40.7Very low40.9Very low89 Ų8971.3 Ų71.344%0.43834%0.336SS..Hα-helixtrans-59.6-37.6171.7-78.7-170.4-5600111.6H217 V218 Q224 L225H217-M221 WeakPolarHBondContact O-CA 3.39Å; H217-M221 WeakPolarHBondContact O-CB 3.4Å; H217-M221 WeakPolarHBondContact O-CG 3.31Å; H217-M221 PolarHBondContact O-N 2.99Å; V218-M221 HydrophobicContact CB-CE 4.41Å; V218-M221 HydrophobicContact CG2-CE 3.93Å; M221-Q224 PolarHBondContact O-N 3.01Å; M221-L225 WeakPolarHBondContact O-CB 3.47Å; M221-L225 PolarHBondContact O-N 3.3Å
222A39.1Very low41.8Very low5 Ų568.5 Ų68.54%0.04132%0.321CS..Hα-helixtrans-68-45.4177.200000112.1V218 R219 E220 Q224 L225 Y226 F407 L423V218-A222 VanDerWaalsContact O-CB 3.22Å; V218-A222 WeakPolarHBondContact O-CB 3.5Å; V218-A222 PolarHBondContact O-N 2.82Å; R219-A222 PolarHBondContact O-N 3.23Å; E220-A222 VanDerWaalsContact C-N 3.27Å; E220-A222 PolarHBondContact O-N 3.27Å; A222-Q224 VanDerWaalsContact C-N 3.31Å; A222-Q224 PolarHBondContact O-N 3.18Å; A222-L225 PolarHBondContact O-N 2.85Å; A222-Y226 WeakPolarHBondContact O-CB 3.29Å; A222-Y226 PolarHBondContact O-N 3.15Å; A222-F407 HydrophobicContact CB-CE1 3.72Å; A222-F407 HydrophobicContact CB-CE2 4.11Å; A222-F407 HydrophobicContact CB-CZ 3.27Å; A222-L423 HydrophobicContact CB-CD1 4.48Å; A222-L423 HydrophobicContact CB-CD2 3.73Å
223K44.3Very low43Very low120 Ų12062.8 Ų62.852%0.52230%0.295SS..Hα-helixtrans-59.9-43.2172.5-71.8178-170.5165.50111.2R219 E220 A227R219-K223 WeakPolarHBondContact O-CG 2.99Å; R219-K223 PolarHBondContact O-N 3.43Å; R219-K223 VanDerWaalsContact O-N 3.1Å; E220-K223 PolarHBondContact O-N 3.18Å; E220-K223 IonicContact OE1-NZ 2.78Å; E220-K223 PolarHBondContact OE1-NZ 3.44Å; K223-A227 WeakPolarHBondContact O-CB 3.48Å; K223-A227 PolarHBondContact O-N 3.37Å
224Q46.8Very low44Very low114 Ų11459.3 Ų59.353%0.53328%0.278SS..Hα-helixtrans-65.1-49.7177.6-75.3173.3-0.400111.3E220 M221 A222 Y226 A227 E228E220-Q224 VanDerWaalsContact O-CB 3.26Å; E220-Q224 WeakPolarHBondContact O-CB 3.26Å; E220-Q224 WeakPolarHBondContact O-CG 2.96Å; E220-Q224 PolarHBondContact O-N 3.13Å; M221-Q224 PolarHBondContact O-N 3.01Å; A222-Q224 VanDerWaalsContact C-N 3.31Å; A222-Q224 PolarHBondContact O-N 3.18Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 3.38Å; Q224-A227 CarbonylContact O-C 3.54Å; Q224-A227 PolarHBondContact O-N 3.45Å; Q224-E228 VanDerWaalsContact O-CB 3.27Å; Q224-E228 WeakPolarHBondContact O-CB 2.84Å; Q224-E228 VanDerWaalsContact O-CG 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.42Å; Q224-E228 PolarHBondContact O-N 3.41Å
225L45.5Very low44.9Very low32 Ų3255.3 Ų55.317%0.16826%0.256CS..Hα-helixtrans-61-40.4178.7-170.880.9000110.9M221 A222 S229 L423 A427 L432M221-L225 WeakPolarHBondContact O-CB 3.47Å; M221-L225 PolarHBondContact O-N 3.3Å; A222-L225 PolarHBondContact O-N 2.85Å; L225-S229 WeakPolarHBondContact O-CB 3.45Å; L225-S229 PolarHBondContact O-N 3.5Å; L225-S229 PolarHBondContact O-OG 3.1Å; L225-L423 HydrophobicContact CD2-CD2 4.33Å; L225-A427 HydrophobicContact CD2-CB 4.38Å; L225-L432 HydrophobicContact CD1-CD2 3.53Å
226Y48.7Very low45.9Very low53 Ų5354.4 Ų54.421%0.20825%0.253CS..Hα-helixtrans-67.3-45.7174.7177.5-102.9000111.7A222 Q224 E228 S229 L230 L367A222-Y226 WeakPolarHBondContact O-CB 3.29Å; A222-Y226 PolarHBondContact O-N 3.15Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 3.38Å; Y226-E228 VanDerWaalsContact C-N 3.34Å; Y226-E228 PolarHBondContact O-N 3.11Å; Y226-S229 CarbonylContact O-C 3.44Å; Y226-S229 WeakPolarHBondContact O-CB 3.47Å; Y226-S229 PolarHBondContact O-N 3.13Å; Y226-S229 VanDerWaalsContact O-N 3.16Å; Y226-L230 HydrophobicContact CD1-CD1 3.98Å; Y226-L230 HydrophobicContact CD1-CG 4.4Å; Y226-L230 HydrophobicContact CE1-CD1 3.28Å; Y226-L230 HydrophobicContact CE1-CG 3.92Å; Y226-L230 HydrophobicContact CE2-CD1 4.36Å; Y226-L230 HydrophobicContact CE2-CD2 4.43Å; Y226-L230 HydrophobicContact CE2-CG 4.17Å; Y226-L230 VanDerWaalsContact CZ-CD1 3.49Å; Y226-L230 WeakPolarHBondContact O-CB 3.19Å; Y226-L230 PolarHBondContact O-N 3.01Å; Y226-L367 HydrophobicContact CE2-CD2 3.85Å; Y226-L367 WeakPolarHBondContact OH-CD2 3.33Å
227A51.7Low47Very low31 Ų3147.9 Ų47.926%0.25623%0.227SC..Hα-helixtrans-60.4-42.417500000111.7K223 Q224 L230 R231 L328K223-A227 WeakPolarHBondContact O-CB 3.48Å; K223-A227 PolarHBondContact O-N 3.37Å; Q224-A227 CarbonylContact O-C 3.54Å; Q224-A227 PolarHBondContact O-N 3.45Å; A227-L230 PolarHBondContact O-N 3.11Å; A227-R231 WeakPolarHBondContact O-CB 3.07Å; A227-R231 PolarHBondContact O-N 2.57Å; A227-L328 HydrophobicContact CB-CD1 3.72Å
228E49Very low47.7Very low59 Ų5943.4 Ų43.428%0.27621%0.207SC..Hα-helixtrans-64.8-40.7173.5-76.4-58.9140.300111.2Q224 Y226 R231 A232Q224-E228 VanDerWaalsContact O-CB 3.27Å; Q224-E228 WeakPolarHBondContact O-CB 2.84Å; Q224-E228 VanDerWaalsContact O-CG 3.27Å; Q224-E228 WeakPolarHBondContact O-CG 3.42Å; Q224-E228 PolarHBondContact O-N 3.41Å; Y226-E228 VanDerWaalsContact C-N 3.34Å; Y226-E228 PolarHBondContact O-N 3.11Å; E228-R231 PolarHBondContact O-N 2.99Å; E228-R231 IonicContact OE1-CZ 3.62Å; E228-R231 IonicContact OE1-NH1 2.68Å; E228-R231 PolarHBondContact OE1-NH1 3.3Å; E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 3.48Å
229S50.9Low48.4Very low7 Ų744.5 Ų44.55%0.04921%0.211CC..Hα-helixtrans-67.5-38.6176.8-63.40000111.7L225 Y226 S233 K400L225-S229 WeakPolarHBondContact O-CB 3.45Å; L225-S229 PolarHBondContact O-N 3.5Å; L225-S229 PolarHBondContact O-OG 3.1Å; Y226-S229 CarbonylContact O-C 3.44Å; Y226-S229 WeakPolarHBondContact O-CB 3.47Å; Y226-S229 PolarHBondContact O-N 3.13Å; Y226-S229 VanDerWaalsContact O-N 3.16Å; S229-S233 WeakPolarHBondContact O-CB 3.16Å; S229-S233 PolarHBondContact O-N 2.9Å; S229-S233 VanDerWaalsContact O-N 3.13Å; S229-S233 PolarHBondContact O-OG 3.38Å; S229-K400 PolarHBondContact O-NZ 3.2Å
230L52.2Low49.2Very low7 Ų743.9 Ų43.94%0.03721%0.208CC..Hα-helixtrans-67.7-42.3172.2-77.6-177.7000111.1Y226 A227 S233 S234 L327 L328Y226-L230 HydrophobicContact CD1-CD1 3.98Å; Y226-L230 HydrophobicContact CD1-CG 4.4Å; Y226-L230 HydrophobicContact CE1-CD1 3.28Å; Y226-L230 HydrophobicContact CE1-CG 3.92Å; Y226-L230 HydrophobicContact CE2-CD1 4.36Å; Y226-L230 HydrophobicContact CE2-CD2 4.43Å; Y226-L230 HydrophobicContact CE2-CG 4.17Å; Y226-L230 VanDerWaalsContact CZ-CD1 3.49Å; Y226-L230 WeakPolarHBondContact O-CB 3.19Å; Y226-L230 PolarHBondContact O-N 3.01Å; A227-L230 PolarHBondContact O-N 3.11Å; L230-S233 PolarHBondContact O-N 3.16Å; L230-S234 WeakPolarHBondContact O-CB 3.19Å; L230-S234 PolarHBondContact O-N 3.38Å; L230-L327 HydrophobicContact CD1-CB 4.2Å; L230-L327 HydrophobicContact CD2-CD1 4.42Å; L230-L328 HydrophobicContact CB-CD1 4.16Å; L230-L328 HydrophobicContact CD1-CB 4.16Å; L230-L328 HydrophobicContact CD1-CD1 4.09Å
231R52.7Low49.7Very low17 Ų1741.7 Ų41.76%0.06420%0.198CC..Hα-helixtrans-60.1-49.3176.2175.7-177.5-75174-9.8111.1A227 E228 S233 S234 I235A227-R231 WeakPolarHBondContact O-CB 3.07Å; A227-R231 PolarHBondContact O-N 2.57Å; E228-R231 PolarHBondContact O-N 2.99Å; E228-R231 IonicContact OE1-CZ 3.62Å; E228-R231 IonicContact OE1-NH1 2.68Å; E228-R231 PolarHBondContact OE1-NH1 3.3Å; R231-S233 VanDerWaalsContact C-N 3.34Å; R231-S233 PolarHBondContact O-N 3.48Å; R231-S234 PolarHBondContact O-N 3.14Å; R231-I235 HydrophobicContact CG-CD1 3.76Å; R231-I235 HydrophobicContact CG-CG1 4.45Å; R231-I235 WeakPolarHBondContact O-CB 3.28Å; R231-I235 VanDerWaalsContact O-CG1 3.26Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 3.01Å
232A51.8Low50.2Low14 Ų1437.7 Ų37.712%0.11618%0.179CC..Hα-helixtrans-61.6-41.2176.900000112E228 R236 P275E228-A232 VanDerWaalsContact O-CB 3.29Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 3.48Å; A232-R236 VanDerWaalsContact O-CB 3.32Å; A232-R236 WeakPolarHBondContact O-CB 3.25Å; A232-R236 PolarHBondContact O-N 2.83Å; A232-P275 HydrophobicContact CB-CB 4.16Å; A232-P275 HydrophobicContact CB-CG 3.75Å
233S53.6Low50.5Low11 Ų1140.4 Ų40.48%0.07720%0.202CC..Hα-helixtrans-61.4-46.8172.5-74.10000111.4S229 L230 R231 R236 H237 K400S229-S233 WeakPolarHBondContact O-CB 3.16Å; S229-S233 PolarHBondContact O-N 2.9Å; S229-S233 VanDerWaalsContact O-N 3.13Å; S229-S233 PolarHBondContact O-OG 3.38Å; L230-S233 PolarHBondContact O-N 3.16Å; R231-S233 VanDerWaalsContact C-N 3.34Å; R231-S233 PolarHBondContact O-N 3.48Å; S233-R236 PolarHBondContact O-N 3.21Å; S233-H237 PolarHBondContact O-N 3.38Å; S233-H237 PolarHBondContact O-ND1 3.32Å; S233-K400 PolarHBondContact OG-NZ 3.47Å
234S52.2Low50.6Low5 Ų537.3 Ų37.34%0.03520%0.195CC..Hα-helixtrans-61.9-47.7178.5-179.50000111.9L230 R231 R236 H237 N238L230-S234 WeakPolarHBondContact O-CB 3.19Å; L230-S234 PolarHBondContact O-N 3.38Å; R231-S234 PolarHBondContact O-N 3.14Å; S234-R236 PolarHBondContact O-N 3.17Å; S234-H237 PolarHBondContact O-N 2.94Å; S234-N238 WeakPolarHBondContact O-CB 3.48Å; S234-N238 VanDerWaalsContact O-CG 3.24Å; S234-N238 PolarHBondContact O-N 3.42Å; S234-N238 PolarHBondContact O-ND2 3.23Å
235I52.7Low50.6Low13 Ų1332 Ų327%0.06717%0.17CC..Hα-helixtrans-56.8-49.1175.4-69.3161.5000110.9R231 H237 N238 N239 I272R231-I235 HydrophobicContact CG-CD1 3.76Å; R231-I235 HydrophobicContact CG-CG1 4.45Å; R231-I235 WeakPolarHBondContact O-CB 3.28Å; R231-I235 VanDerWaalsContact O-CG1 3.26Å; R231-I235 WeakPolarHBondContact O-CG1 3.34Å; R231-I235 PolarHBondContact O-N 3.01Å; I235-H237 VanDerWaalsContact C-N 3.32Å; I235-H237 PolarHBondContact O-N 3.23Å; I235-N238 PolarHBondContact O-N 3.13Å; I235-N239 WeakPolarHBondContact O-CB 3.43Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 3Å; I235-N239 PolarHBondContact O-ND2 3.36Å; I235-I272 HydrophobicContact CD1-CB 4.46Å; I235-I272 HydrophobicContact CD1-CG2 3.42Å; I235-I272 VanDerWaalsContact CD1-CG2 3.42Å; I235-I272 HydrophobicContact CG1-CB 4.2Å; I235-I272 HydrophobicContact CG1-CD1 4.02Å; I235-I272 HydrophobicContact CG1-CG2 3.5Å; I235-I272 VanDerWaalsContact CG1-CG2 3.5Å
236R53.4Low50.4Low109 Ų10934.1 Ų34.141%0.41118%0.181SC..Hα-helixtrans-59.7-43-179.7-171.6-173.2-54.1-163.1-0.5111.9A232 S233 S234 N239 R240A232-R236 VanDerWaalsContact O-CB 3.32Å; A232-R236 WeakPolarHBondContact O-CB 3.25Å; A232-R236 PolarHBondContact O-N 2.83Å; S233-R236 PolarHBondContact O-N 3.21Å; S234-R236 PolarHBondContact O-N 3.17Å; R236-N239 WeakPolarHBondContact O-CB 3.3Å; R236-N239 PolarHBondContact O-N 3.4Å; R236-R240 PolarHBondContact O-N 2.93Å
237H54.8Low50Low1 Ų138.4 Ų38.41%0.00520%0.201CC..Hα-helixtrans-73.6-38.1179.7-73.477.3000112.1S233 S234 I235 N239 R240 M241 A321 E356 L360S233-H237 PolarHBondContact O-N 3.38Å; S233-H237 PolarHBondContact O-ND1 3.32Å; S234-H237 PolarHBondContact O-N 2.94Å; I235-H237 VanDerWaalsContact C-N 3.32Å; I235-H237 PolarHBondContact O-N 3.23Å; H237-N239 PolarHBondContact O-N 3.24Å; H237-R240 PolarHBondContact O-N 3.37Å; H237-M241 WeakPolarHBondContact O-CB 3.32Å; H237-M241 PolarHBondContact O-N 2.97Å; H237-A321 HydrophobicContact CB-CB 4.09Å; H237-E356 IonicContact CE1-OE1 3.92Å; H237-E356 IonicContact NE2-OE1 3.28Å; H237-L360 WeakPolarHBondContact CE1-CD2 3.37Å; H237-L360 WeakPolarHBondContact NE2-CD2 3.43Å
238N53Low49.5Very low6 Ų637.5 Ų37.53%0.03219%0.193CC..Hα-helixtrans-58.1-41.7169.5-73.1-21.1000110.3S234 I235 R240 M241 A242 M269 A321S234-N238 WeakPolarHBondContact O-CB 3.48Å; S234-N238 VanDerWaalsContact O-CG 3.24Å; S234-N238 PolarHBondContact O-N 3.42Å; S234-N238 PolarHBondContact O-ND2 3.23Å; I235-N238 PolarHBondContact O-N 3.13Å; N238-R240 VanDerWaalsContact C-N 3.31Å; N238-R240 PolarHBondContact O-N 2.94Å; N238-M241 WeakPolarHBondContact O-CB 3.49Å; N238-M241 PolarHBondContact O-N 3.11Å; N238-A242 WeakPolarHBondContact O-CB 3.47Å; N238-A242 PolarHBondContact O-N 2.75Å; N238-M269 HydrophobicContact CB-CE 3.58Å; N238-M269 HydrophobicContact CB-CG 4.22Å; N238-M269 HydrophobicContact CB-SD 3.71Å; N238-M269 WeakPolarHBondContact O-CE 3.3Å; N238-A321 WeakPolarHBondContact OD1-CB 3.38Å
239N49.3Very low49.2Very low86 Ų8635.4 Ų35.446%0.4618%0.183SC..Hα-helixtrans-64.3-41-179-80.9-36.5000110.2I235 R236 H237 A243 M269I235-N239 WeakPolarHBondContact O-CB 3.43Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 3Å; I235-N239 PolarHBondContact O-ND2 3.36Å; R236-N239 WeakPolarHBondContact O-CB 3.3Å; R236-N239 PolarHBondContact O-N 3.4Å; H237-N239 PolarHBondContact O-N 3.24Å; N239-A243 WeakPolarHBondContact O-CB 3.37Å; N239-A243 PolarHBondContact O-N 3.41Å; N239-M269 HydrophobicContact CB-CE 3.87Å; N239-M269 VanDerWaalsContact CG-CE 3.45Å; N239-M269 WeakPolarHBondContact OD1-CE 3.2Å
240R50Low48.7Very low97 Ų9741 Ų4137%0.36621%0.212SC..Hα-helixtrans-67.3-44.2173.4-74.4-179.3176171.4-4.8112.4R236 H237 N238 A242 A243 S244 V317 E356R236-R240 PolarHBondContact O-N 2.93Å; H237-R240 PolarHBondContact O-N 3.37Å; N238-R240 VanDerWaalsContact C-N 3.31Å; N238-R240 PolarHBondContact O-N 2.94Å; R240-A242 VanDerWaalsContact C-N 3.31Å; R240-A242 PolarHBondContact O-N 3.12Å; R240-A243 PolarHBondContact O-N 3.15Å; R240-A243 VanDerWaalsContact O-N 3.14Å; R240-S244 WeakPolarHBondContact O-CB 3.31Å; R240-S244 PolarHBondContact O-N 2.93Å; R240-S244 PolarHBondContact O-OG 3.16Å; R240-S244 VanDerWaalsContact O-OG 3.05Å; R240-V317 HydrophobicContact CB-CG1 4.41Å; R240-E356 IonicContact CZ-OE2 2.66Å; R240-E356 VanDerWaalsContact CZ-OE2 3.23Å; R240-E356 IonicContact NH1-OE1 3.43Å; R240-E356 PolarHBondContact NH1-OE1 3.08Å; R240-E356 IonicContact NH1-OE2 3.95Å; R240-E356 PolarHBondContact NH1-OE2 3.43Å; R240-E356 IonicContact NH2-OE1 3.77Å; R240-E356 IonicContact NH2-OE2 3.9Å; R240-E356 PolarHBondContact NH2-OE2 3.47Å
241M52.3Low48.2Very low0 Ų046.8 Ų46.80%024%0.242CC..Hα-helixtrans-56.6-48.2175.7-176.8174.568.400110.7H237 N238 A243 C245 L265 A295 V317 A318H237-M241 WeakPolarHBondContact O-CB 3.32Å; H237-M241 PolarHBondContact O-N 2.97Å; N238-M241 WeakPolarHBondContact O-CB 3.49Å; N238-M241 PolarHBondContact O-N 3.11Å; M241-A243 PolarHBondContact O-N 2.97Å; M241-C245 WeakPolarHBondContact O-CB 3.37Å; M241-C245 PolarHBondContact O-N 3.03Å; M241-C245 PolarHBondContact O-SG 3.29Å; M241-L265 HydrophobicContact CE-CD1 3.4Å; M241-L265 HydrophobicContact CE-CD2 3.43Å; M241-L265 VanDerWaalsContact CE-CD2 3.43Å; M241-L265 HydrophobicContact CE-CG 3.99Å; M241-A295 HydrophobicContact CE-CB 3.79Å; M241-A295 HydrophobicContact SD-CB 4.21Å; M241-V317 HydrophobicContact CB-CG1 3.95Å; M241-A318 HydrophobicContact CG-CB 4.46Å; M241-A318 VanDerWaalsContact SD-CA 3.51Å; M241-A318 HydrophobicContact SD-CB 3.39Å; M241-A318 WeakPolarHBondContact SD-CB 3.42Å
242A49.6Very low47.6Very low5 Ų548.9 Ų48.94%0.04126%0.255CS..Hα-helixtrans-55.8-49.7173.900000111.9N238 R240 L246 L265 L266 M269N238-A242 WeakPolarHBondContact O-CB 3.47Å; N238-A242 PolarHBondContact O-N 2.75Å; R240-A242 VanDerWaalsContact C-N 3.31Å; R240-A242 PolarHBondContact O-N 3.12Å; A242-L246 VanDerWaalsContact O-CB 3.26Å; A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.37Å; A242-L265 HydrophobicContact CB-CD2 4.1Å; A242-L266 HydrophobicContact CB-CD2 3.64Å; A242-L266 HydrophobicContact CB-CG 4.36Å; A242-M269 HydrophobicContact CB-CE 4.47Å; A242-M269 HydrophobicContact CB-SD 3.63Å
243A47Very low47.2Very low62 Ų6257 Ų5751%0.51229%0.29SS..Hα-helixtrans-64.9-48.9-179.800000113.2N239 R240 M241 C245 L246N239-A243 WeakPolarHBondContact O-CB 3.37Å; N239-A243 PolarHBondContact O-N 3.41Å; R240-A243 PolarHBondContact O-N 3.15Å; R240-A243 VanDerWaalsContact O-N 3.14Å; M241-A243 PolarHBondContact O-N 2.97Å; A243-C245 PolarHBondContact O-N 3.08Å; A243-L246 PolarHBondContact O-N 3.08Å
244S45.6Very low46.8Very low54 Ų5466.4 Ų66.438%0.37833%0.33SS..Hα-helixtrans-68.7-23.3-177.4-56.70000112.6R240 P248R240-S244 WeakPolarHBondContact O-CB 3.31Å; R240-S244 PolarHBondContact O-N 2.93Å; R240-S244 PolarHBondContact O-OG 3.16Å; R240-S244 VanDerWaalsContact O-OG 3.05Å; S244-P248 WeakPolarHBondContact O-CD 3.43Å; S244-P248 WeakPolarHBondContact O-CG 3.05Å
245C46.3Very low46.8Very low2 Ų267.1 Ų67.11%0.01434%0.337CS..Hα-helixtrans-97-21.1175.1-570000114M241 A243 F247 P248 L249 F262 M302M241-C245 WeakPolarHBondContact O-CB 3.37Å; M241-C245 PolarHBondContact O-N 3.03Å; M241-C245 PolarHBondContact O-SG 3.29Å; A243-C245 PolarHBondContact O-N 3.08Å; C245-F247 PolarHBondContact O-N 3.1Å; C245-P248 VanDerWaalsContact O-CD 3.32Å; C245-P248 WeakPolarHBondContact O-CD 3.2Å; C245-L249 WeakPolarHBondContact O-CB 3.43Å; C245-L249 WeakPolarHBondContact O-CD1 3.3Å; C245-L249 WeakPolarHBondContact O-CG 3.44Å; C245-L249 PolarHBondContact O-N 3.29Å; C245-F262 HydrophobicContact CB-CD1 3.52Å; C245-F262 HydrophobicContact CB-CE1 2.91Å; C245-F262 HydrophobicContact CB-CE2 3.99Å; C245-F262 HydrophobicContact CB-CG 4.3Å; C245-F262 HydrophobicContact CB-CZ 3.15Å; C245-F262 WeakPolarHBondContact SG-CE1 3.31Å; C245-F262 WeakPolarHBondContact SG-CZ 3.36Å; C245-M302 WeakPolarHBondContact SG-CE 3.38Å
246L42.6Very low46.8Very low77 Ų7771.2 Ų71.240%0.40337%0.367SS..Hα-helixtrans-58.5-41.7173.1-162.691.2000110.5A242 A243 L250 L266A242-L246 VanDerWaalsContact O-CB 3.26Å; A242-L246 WeakPolarHBondContact O-CB 3.21Å; A242-L246 PolarHBondContact O-N 3.37Å; A243-L246 PolarHBondContact O-N 3.08Å; L246-L250 HydrophobicContact CD2-CD1 4.11Å; L246-L250 HydrophobicContact CG-CD1 4.1Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.47Å; L246-L250 PolarHBondContact O-N 2.86Å; L246-L266 HydrophobicContact CD1-CD1 3.49Å; L246-L266 VanDerWaalsContact CD1-CD1 3.49Å
247F40.2Very low46.9Very low144 Ų14473 Ų7363%0.63238%0.378SS*.Hα-helixtrans-65.8-50.2-174.9-179.2-96.4000113C245 L249 L251C245-F247 PolarHBondContact O-N 3.1Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 3.31Å; F247-L251 HydrophobicContact CD1-CD1 4.47Å; F247-L251 HydrophobicContact CE1-CD1 4.1Å; F247-L251 HydrophobicContact CZ-CD1 4.48Å
248P41.2Very low46.8Very low11 Ų1174.9 Ų74.97%0.07139%0.387CS..Hα-helixtrans-73.1-24.3-179.1-16.933.9000113.1S244 C245 L251 L252 F308 L314S244-P248 WeakPolarHBondContact O-CD 3.43Å; S244-P248 WeakPolarHBondContact O-CG 3.05Å; C245-P248 VanDerWaalsContact O-CD 3.32Å; C245-P248 WeakPolarHBondContact O-CD 3.2Å; P248-L251 WeakPolarHBondContact O-CB 3.04Å; P248-L251 PolarHBondContact O-N 3.38Å; P248-L252 PolarHBondContact O-N 2.93Å; P248-F308 HydrophobicContact CB-CD1 3.24Å; P248-F308 HydrophobicContact CB-CE1 2.89Å; P248-F308 HydrophobicContact CB-CE2 4.31Å; P248-F308 HydrophobicContact CB-CG 4.09Å; P248-F308 HydrophobicContact CB-CZ 3.47Å; P248-F308 VanDerWaalsContact CB-CZ 3.47Å; P248-F308 HydrophobicContact CG-CD1 4.21Å; P248-F308 HydrophobicContact CG-CE1 4.2Å; P248-F308 WeakPolarHBondContact O-CE1 3.4Å; P248-L314 HydrophobicContact CG-CD1 4.44Å
249L41.4Very low46.8Very low16 Ų1676.3 Ų76.38%0.08440%0.396CS..Hα-helixtrans-82-29.9178.3-71.9168.3000114.6C245 F247 L251 L252 Q258 F262 F308C245-L249 WeakPolarHBondContact O-CB 3.43Å; C245-L249 WeakPolarHBondContact O-CD1 3.3Å; C245-L249 WeakPolarHBondContact O-CG 3.44Å; C245-L249 PolarHBondContact O-N 3.29Å; F247-L249 VanDerWaalsContact C-N 3.32Å; F247-L249 PolarHBondContact O-N 3.31Å; L249-L251 PolarHBondContact O-N 3.37Å; L249-L252 CarbonylContact O-C 3.57Å; L249-L252 PolarHBondContact O-N 3.4Å; L249-L252 VanDerWaalsContact O-N 3.09Å; L249-Q258 HydrophobicContact CD2-CB 3.54Å; L249-Q258 HydrophobicContact CD2-CG 4.47Å; L249-F262 HydrophobicContact CD1-CB 3.71Å; L249-F262 HydrophobicContact CD1-CD1 4.17Å; L249-F262 HydrophobicContact CD1-CD2 2.97Å; L249-F262 HydrophobicContact CD1-CE2 3.54Å; L249-F262 HydrophobicContact CD1-CG 3.3Å; L249-F262 HydrophobicContact CD1-CZ 4.36Å; L249-F262 HydrophobicContact CG-CD2 4.41Å; L249-F308 HydrophobicContact CD2-CZ 4.34Å
250L41.5Very low47.3Very low125 Ų12574.6 Ų74.665%0.65439%0.393SS*.Hα-helixtrans-60-22.4165.2-76167.6000111.6L246L246-L250 HydrophobicContact CD2-CD1 4.11Å; L246-L250 HydrophobicContact CG-CD1 4.1Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.47Å; L246-L250 PolarHBondContact O-N 2.86Å
251L40.7Very low47.5Very low128 Ų12870.2 Ų70.267%0.6738%0.377SS*.THydrogen-bonded Turntrans-86.1-15.5175.6-61.6170.5000113.6F247 P248 L249F247-L251 HydrophobicContact CD1-CD1 4.47Å; F247-L251 HydrophobicContact CE1-CD1 4.1Å; F247-L251 HydrophobicContact CZ-CD1 4.48Å; P248-L251 WeakPolarHBondContact O-CB 3.04Å; P248-L251 PolarHBondContact O-N 3.38Å; L249-L251 PolarHBondContact O-N 3.37Å
252L41.1Very low47.5Very low61 Ų6170.9 Ų70.932%0.31938%0.381SS..  trans-125.353.2-173.6-69.4155.1000112.7P248 L249 K254 G255 V307 F308P248-L252 PolarHBondContact O-N 2.93Å; L249-L252 CarbonylContact O-C 3.57Å; L249-L252 PolarHBondContact O-N 3.4Å; L249-L252 VanDerWaalsContact O-N 3.09Å; L252-K254 PolarHBondContact O-N 3.49Å; L252-G255 PolarHBondContact O-N 3.34Å; L252-G255 VanDerWaalsContact O-N 3.09Å; L252-V307 HydrophobicContact CD1-CG1 3.03Å; L252-V307 HydrophobicContact CD2-CG1 4.14Å; L252-V307 HydrophobicContact CG-CG1 4.19Å; L252-F308 HydrophobicContact CD1-CD1 4.2Å; L252-F308 HydrophobicContact CD1-CE1 3.1Å; L252-F308 HydrophobicContact CD1-CE2 4.24Å; L252-F308 HydrophobicContact CD1-CZ 3.16Å; L252-F308 HydrophobicContact CG-CE1 4.39Å
253E41.9Very low47.7Very low185 Ų18577 Ų7786%0.86441%0.406SS*.THydrogen-bonded Turntrans-50.9-2.8170.4-82.1-170.214300115.2
254K45.2Very low48.1Very low208 Ų20876.5 Ų76.590%0.90440%0.399SS*.THydrogen-bonded Turntrans-82.6-20.9175-63.3-171.3177.8-178.50114.7L252L252-K254 PolarHBondContact O-N 3.49Å
255G52.3Low48.4Very low19 Ų1974 Ų7420%0.19638%0.381CS..  trans-97.791.4-17900000113.1L252 K257 Q258 V259L252-G255 PolarHBondContact O-N 3.34Å; L252-G255 VanDerWaalsContact O-N 3.09Å; G255-K257 PolarHBondContact O-N 3.01Å; G255-Q258 VanDerWaalsContact C-OE1 3.28Å; G255-Q258 VanDerWaalsContact CA-OE1 3.29Å; G255-Q258 PolarHBondContact O-N 2.67Å; G255-Q258 PolarHBondContact O-OE1 2.89Å; G255-V259 WeakPolarHBondContact O-CG2 3.4Å; G255-V259 PolarHBondContact O-N 3.04Å
256S53.5Low48.7Very low99 Ų9976.4 Ų76.469%0.69239%0.394SS*.Hα-helixtrans-64.2-34.4-172.860.70000114.2A260S256-A260 WeakPolarHBondContact O-CB 3.45Å; S256-A260 PolarHBondContact O-N 3.46Å
257K55Low49.1Very low148 Ų14877.9 Ų77.964%0.64340%0.402SS*.Hα-helixtrans-73.8-42.4-179-68.1-174179.2-178.40112.3G255 V259 A260 C261G255-K257 PolarHBondContact O-N 3.01Å; K257-V259 PolarHBondContact O-N 2.59Å; K257-A260 PolarHBondContact O-N 2.74Å; K257-C261 WeakPolarHBondContact O-CB 3.44Å; K257-C261 PolarHBondContact O-N 3.4Å
258Q53.4Low49.6Very low39 Ų3971.6 Ų71.618%0.18238%0.375CS..Hα-helixtrans-61.3-47.4178.7-62.283.9-1900110.6L249 G255 A260 C261 F262 L301L249-Q258 HydrophobicContact CD2-CB 3.54Å; L249-Q258 HydrophobicContact CD2-CG 4.47Å; G255-Q258 VanDerWaalsContact C-OE1 3.28Å; G255-Q258 VanDerWaalsContact CA-OE1 3.29Å; G255-Q258 PolarHBondContact O-N 2.67Å; G255-Q258 PolarHBondContact O-OE1 2.89Å; Q258-A260 VanDerWaalsContact C-N 3.33Å; Q258-A260 PolarHBondContact O-N 3.27Å; Q258-C261 PolarHBondContact O-N 2.84Å; Q258-F262 VanDerWaalsContact O-CD2 3.31Å; Q258-F262 WeakPolarHBondContact O-CD2 3.37Å; Q258-F262 PolarHBondContact O-N 3.46Å; Q258-F262 VanDerWaalsContact O-N 3.11Å; Q258-L301 HydrophobicContact CG-CB 4.36Å; Q258-L301 HydrophobicContact CG-CD1 4.17Å; Q258-L301 HydrophobicContact CG-CD2 4.31Å
259V53Low49.9Very low36 Ų3671.6 Ų71.622%0.21837%0.374CS..Hα-helixtrans-61.9-40177.4176.30000111.8G255 K257 F262 K263G255-V259 WeakPolarHBondContact O-CG2 3.4Å; G255-V259 PolarHBondContact O-N 3.04Å; K257-V259 PolarHBondContact O-N 2.59Å; V259-F262 PolarHBondContact O-N 3.28Å; V259-K263 HydrophobicContact CG1-CD 4.09Å; V259-K263 HydrophobicContact CG1-CG 4.4Å; V259-K263 WeakPolarHBondContact O-CB 3.37Å; V259-K263 WeakPolarHBondContact O-CG 3.16Å; V259-K263 PolarHBondContact O-N 2.86Å
260A58.5Low50.2Low50 Ų5080.7 Ų80.741%0.41341%0.407SS..Hα-helixtrans-67-45.4179.200000112.7S256 K257 Q258 F262 K263 S264S256-A260 WeakPolarHBondContact O-CB 3.45Å; S256-A260 PolarHBondContact O-N 3.46Å; K257-A260 PolarHBondContact O-N 2.74Å; Q258-A260 VanDerWaalsContact C-N 3.33Å; Q258-A260 PolarHBondContact O-N 3.27Å; A260-F262 VanDerWaalsContact C-N 3.28Å; A260-F262 PolarHBondContact O-N 3.29Å; A260-K263 PolarHBondContact O-N 3.19Å; A260-S264 WeakPolarHBondContact O-CB 3.2Å; A260-S264 PolarHBondContact O-N 3.47Å; A260-S264 PolarHBondContact O-OG 3.26Å
261C55.4Low50.6Low5 Ų578.8 Ų78.83%0.03440%0.4CS..Hα-helixtrans-56.9-43.4174.8-176.10000110.8K257 Q258 S264 L265 L294 L301K257-C261 WeakPolarHBondContact O-CB 3.44Å; K257-C261 PolarHBondContact O-N 3.4Å; Q258-C261 PolarHBondContact O-N 2.84Å; C261-S264 PolarHBondContact O-N 3.38Å; C261-L265 PolarHBondContact O-N 3.2Å; C261-L294 PolarHBondContact SG-O 3.33Å; C261-L294 VanDerWaalsContact SG-O 3.33Å; C261-L301 HydrophobicContact CB-CD1 4.32Å
262F52.5Low50.9Low15 Ų1573.1 Ų73.17%0.06637%0.371CS..Hα-helixtrans-73.1-39.4179.7-88.5-79000114.8C245 L249 Q258 V259 A260 S264 L265 L266 A298 M302C245-F262 HydrophobicContact CB-CD1 3.52Å; C245-F262 HydrophobicContact CB-CE1 2.91Å; C245-F262 HydrophobicContact CB-CE2 3.99Å; C245-F262 HydrophobicContact CB-CG 4.3Å; C245-F262 HydrophobicContact CB-CZ 3.15Å; C245-F262 WeakPolarHBondContact SG-CE1 3.31Å; C245-F262 WeakPolarHBondContact SG-CZ 3.36Å; L249-F262 HydrophobicContact CD1-CB 3.71Å; L249-F262 HydrophobicContact CD1-CD1 4.17Å; L249-F262 HydrophobicContact CD1-CD2 2.97Å; L249-F262 HydrophobicContact CD1-CE2 3.54Å; L249-F262 HydrophobicContact CD1-CG 3.3Å; L249-F262 HydrophobicContact CD1-CZ 4.36Å; L249-F262 HydrophobicContact CG-CD2 4.41Å; Q258-F262 VanDerWaalsContact O-CD2 3.31Å; Q258-F262 WeakPolarHBondContact O-CD2 3.37Å; Q258-F262 PolarHBondContact O-N 3.46Å; Q258-F262 VanDerWaalsContact O-N 3.11Å; V259-F262 PolarHBondContact O-N 3.28Å; A260-F262 VanDerWaalsContact C-N 3.28Å; A260-F262 PolarHBondContact O-N 3.29Å; F262-S264 PolarHBondContact O-N 3.14Å; F262-L265 HydrophobicContact CD1-CD2 4.34Å; F262-L265 HydrophobicContact CE1-CD2 4.33Å; F262-L265 WeakPolarHBondContact O-CB 3.4Å; F262-L265 PolarHBondContact O-N 3.06Å; F262-L266 WeakPolarHBondContact O-CG 3.42Å; F262-L266 PolarHBondContact O-N 3.39Å; F262-A298 HydrophobicContact CE2-CB 3.84Å; F262-A298 HydrophobicContact CZ-CB 3.68Å; F262-M302 HydrophobicContact CE2-CE 4.22Å; F262-M302 HydrophobicContact CZ-CE 3.65Å
263K54.2Low50.9Low134 Ų13471.7 Ų71.758%0.58337%0.365SS*.Hα-helixtrans-58.6-41.3171.2-77.8178.8178.7179.10111.1V259 A260 L266 L267V259-K263 HydrophobicContact CG1-CD 4.09Å; V259-K263 HydrophobicContact CG1-CG 4.4Å; V259-K263 WeakPolarHBondContact O-CB 3.37Å; V259-K263 WeakPolarHBondContact O-CG 3.16Å; V259-K263 PolarHBondContact O-N 2.86Å; A260-K263 PolarHBondContact O-N 3.19Å; K263-L266 PolarHBondContact O-N 3.47Å; K263-L267 WeakPolarHBondContact O-CG 3.45Å; K263-L267 PolarHBondContact O-N 3.09Å; K263-L267 VanDerWaalsContact O-N 3.11Å
264S55.1Low50.9Low51 Ų5168.6 Ų68.636%0.35736%0.355SS..Hα-helixtrans-64.7-44.2176.5-54.80000110.9A260 C261 F262 L266 L267 T268A260-S264 WeakPolarHBondContact O-CB 3.2Å; A260-S264 PolarHBondContact O-N 3.47Å; A260-S264 PolarHBondContact O-OG 3.26Å; C261-S264 PolarHBondContact O-N 3.38Å; F262-S264 PolarHBondContact O-N 3.14Å; S264-L266 VanDerWaalsContact C-N 3.34Å; S264-L266 PolarHBondContact O-N 3.23Å; S264-L267 PolarHBondContact O-N 2.91Å; S264-L267 VanDerWaalsContact O-N 3.16Å; S264-T268 PolarHBondContact O-N 3.45Å; S264-T268 PolarHBondContact O-OG1 2.93Å; S264-T268 VanDerWaalsContact O-OG1 3.07Å
265L51.9Low50.5Low0 Ų061.2 Ų61.20%033%0.328CS..Hα-helixtrans-57.7-48.5178-170.9100.4000110.7M241 A242 C261 F262 L267 T268 M269 L291 L294M241-L265 HydrophobicContact CE-CD1 3.4Å; M241-L265 HydrophobicContact CE-CD2 3.43Å; M241-L265 VanDerWaalsContact CE-CD2 3.43Å; M241-L265 HydrophobicContact CE-CG 3.99Å; A242-L265 HydrophobicContact CB-CD2 4.1Å; C261-L265 PolarHBondContact O-N 3.2Å; F262-L265 HydrophobicContact CD1-CD2 4.34Å; F262-L265 HydrophobicContact CE1-CD2 4.33Å; F262-L265 WeakPolarHBondContact O-CB 3.4Å; F262-L265 PolarHBondContact O-N 3.06Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.71Å; L265-T268 PolarHBondContact O-N 3.43Å; L265-M269 HydrophobicContact CD2-SD 4.01Å; L265-M269 HydrophobicContact CG-CG 4.48Å; L265-M269 HydrophobicContact CG-SD 4.31Å; L265-M269 VanDerWaalsContact O-CB 3.23Å; L265-M269 WeakPolarHBondContact O-CB 3.48Å; L265-M269 WeakPolarHBondContact O-CG 3.39Å; L265-M269 PolarHBondContact O-N 2.97Å; L265-L291 HydrophobicContact CD1-CD2 3.73Å; L265-L291 HydrophobicContact CG-CD2 3.78Å; L265-L291 WeakPolarHBondContact O-CD2 3.46Å; L265-L294 HydrophobicContact CB-CB 4.34Å; L265-L294 HydrophobicContact CB-CD1 4.4Å; L265-L294 HydrophobicContact CD1-CB 3.66Å
266L51.2Low49.8Very low54 Ų5463 Ų6328%0.28335%0.346SS..Hα-helixtrans-58-42.4177.1-75162.6000113.3A242 L246 F262 K263 S264 M269 R270A242-L266 HydrophobicContact CB-CD2 3.64Å; A242-L266 HydrophobicContact CB-CG 4.36Å; L246-L266 HydrophobicContact CD1-CD1 3.49Å; L246-L266 VanDerWaalsContact CD1-CD1 3.49Å; F262-L266 WeakPolarHBondContact O-CG 3.42Å; F262-L266 PolarHBondContact O-N 3.39Å; K263-L266 PolarHBondContact O-N 3.47Å; S264-L266 VanDerWaalsContact C-N 3.34Å; S264-L266 PolarHBondContact O-N 3.23Å; L266-M269 WeakPolarHBondContact O-CB 3.39Å; L266-M269 PolarHBondContact O-N 3.26Å; L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 2.9Å
267L52.8Low49Very low108 Ų10862.9 Ų62.957%0.56534%0.336SS*.Hα-helixtrans-64.8-50.7178.6-73.5170.5000110.3K263 S264 L265 M269 R270 V271K263-L267 WeakPolarHBondContact O-CG 3.45Å; K263-L267 PolarHBondContact O-N 3.09Å; K263-L267 VanDerWaalsContact O-N 3.11Å; S264-L267 PolarHBondContact O-N 2.91Å; S264-L267 VanDerWaalsContact O-N 3.16Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.71Å; L267-M269 PolarHBondContact O-N 2.95Å; L267-R270 WeakPolarHBondContact O-CB 3.25Å; L267-R270 PolarHBondContact O-N 3.3Å; L267-R270 VanDerWaalsContact O-N 3.1Å; L267-V271 WeakPolarHBondContact O-CG2 3.21Å; L267-V271 PolarHBondContact O-N 2.85Å
268T49.3Very low48Very low11 Ų1161.4 Ų61.47%0.06734%0.341CS..Hα-helixtrans-62.8-33.1179.7-49.90000112S264 L265 V271 I272 S287 Q290 L291S264-T268 PolarHBondContact O-N 3.45Å; S264-T268 PolarHBondContact O-OG1 2.93Å; S264-T268 VanDerWaalsContact O-OG1 3.07Å; L265-T268 PolarHBondContact O-N 3.43Å; T268-V271 WeakPolarHBondContact O-CB 3.48Å; T268-V271 PolarHBondContact O-N 2.89Å; T268-V271 VanDerWaalsContact O-N 3.14Å; T268-I272 PolarHBondContact O-N 3.47Å; T268-S287 WeakPolarHBondContact CG2-O 3.26Å; T268-Q290 HydrophobicContact CG2-CB 3.63Å; T268-Q290 PolarHBondContact OG1-OE1 2.96Å; T268-L291 HydrophobicContact CG2-CD1 4.13Å; T268-L291 HydrophobicContact CG2-CD2 4.1Å; T268-L291 HydrophobicContact CG2-CG 3.58Å
269M48Very low47.7Very low12 Ų1261 Ų616%0.05934%0.344CS..Hα-helixtrans-63.1-38.3173.7-84.2-165.866.500114.4N238 N239 A242 L265 L266 L267 V271 I272 L291N238-M269 HydrophobicContact CB-CE 3.58Å; N238-M269 HydrophobicContact CB-CG 4.22Å; N238-M269 HydrophobicContact CB-SD 3.71Å; N238-M269 WeakPolarHBondContact O-CE 3.3Å; N239-M269 HydrophobicContact CB-CE 3.87Å; N239-M269 VanDerWaalsContact CG-CE 3.45Å; N239-M269 WeakPolarHBondContact OD1-CE 3.2Å; A242-M269 HydrophobicContact CB-CE 4.47Å; A242-M269 HydrophobicContact CB-SD 3.63Å; L265-M269 HydrophobicContact CD2-SD 4.01Å; L265-M269 HydrophobicContact CG-CG 4.48Å; L265-M269 HydrophobicContact CG-SD 4.31Å; L265-M269 VanDerWaalsContact O-CB 3.23Å; L265-M269 WeakPolarHBondContact O-CB 3.48Å; L265-M269 WeakPolarHBondContact O-CG 3.39Å; L265-M269 PolarHBondContact O-N 2.97Å; L266-M269 WeakPolarHBondContact O-CB 3.39Å; L266-M269 PolarHBondContact O-N 3.26Å; L267-M269 PolarHBondContact O-N 2.95Å; M269-V271 PolarHBondContact O-N 3.17Å; M269-I272 PolarHBondContact O-N 3.18Å; M269-I272 VanDerWaalsContact O-N 3.13Å; M269-L291 HydrophobicContact CB-CD2 4.34Å; M269-L291 HydrophobicContact CG-CD1 4.06Å; M269-L291 HydrophobicContact CG-CD2 3.35Å; M269-L291 HydrophobicContact CG-CG 4.36Å
270R48.6Very low47.6Very low206 Ų20663.4 Ų63.478%0.77736%0.356SS*.Hα-helixtrans-65.1-23174-71.5174.6178.2-172-0.7112.5L266 L267 I272L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 2.9Å; L267-R270 WeakPolarHBondContact O-CB 3.25Å; L267-R270 PolarHBondContact O-N 3.3Å; L267-R270 VanDerWaalsContact O-N 3.1Å; R270-I272 VanDerWaalsContact C-N 3.33Å
271V49.5Very low47Very low85 Ų8565.4 Ų65.452%0.51536%0.36SS..Hα-helixtrans-78.9-20.2176.7-169.20000111.1L267 T268 M269 P273 S287L267-V271 WeakPolarHBondContact O-CG2 3.21Å; L267-V271 PolarHBondContact O-N 2.85Å; T268-V271 WeakPolarHBondContact O-CB 3.48Å; T268-V271 PolarHBondContact O-N 2.89Å; T268-V271 VanDerWaalsContact O-N 3.14Å; M269-V271 PolarHBondContact O-N 3.17Å; V271-P273 VanDerWaalsContact O-CD 3.23Å; V271-P273 WeakPolarHBondContact O-CD 3.3Å; V271-S287 WeakPolarHBondContact CG1-OG 3.43Å
272I46.6Very low46.7Very low10 Ų1071.5 Ų71.55%0.05139%0.389CS..SBendtrans-72.9119.8174.2-49.1168.5000109.1I235 T268 M269 R270 V284 L288 L291I235-I272 HydrophobicContact CD1-CB 4.46Å; I235-I272 HydrophobicContact CD1-CG2 3.42Å; I235-I272 VanDerWaalsContact CD1-CG2 3.42Å; I235-I272 HydrophobicContact CG1-CB 4.2Å; I235-I272 HydrophobicContact CG1-CD1 4.02Å; I235-I272 HydrophobicContact CG1-CG2 3.5Å; I235-I272 VanDerWaalsContact CG1-CG2 3.5Å; T268-I272 PolarHBondContact O-N 3.47Å; M269-I272 PolarHBondContact O-N 3.18Å; M269-I272 VanDerWaalsContact O-N 3.13Å; R270-I272 VanDerWaalsContact C-N 3.33Å; I272-V284 HydrophobicContact CG2-CG1 4.34Å; I272-L288 HydrophobicContact CD1-CD2 3.75Å; I272-L288 HydrophobicContact CG1-CD2 4.4Å; I272-L291 HydrophobicContact CD1-CD1 3.05Å; I272-L291 HydrophobicContact CG1-CD1 3.69Å
273P41.6Very low46.9Very low31 Ų3175 Ų7520%0.20141%0.409CS..PPolyproline II helixtrans-63.3148.3175.80.56.1000111.4V271 M277 A279 V284V271-P273 VanDerWaalsContact O-CD 3.23Å; V271-P273 WeakPolarHBondContact O-CD 3.3Å; P273-M277 HydrophobicContact CB-CB 3.68Å; P273-M277 HydrophobicContact CB-CG 4.29Å; P273-A279 HydrophobicContact CB-CB 3.94Å; P273-A279 HydrophobicContact CG-CB 3.06Å; P273-V284 HydrophobicContact CG-CG2 3.62Å
274N42.1Very low46.6Very low120 Ų12068.7 Ų68.764%0.64238%0.381SS*.PPolyproline II helixtrans-56.9146.7171.3-72.5-29.2000111G276 M277N274-G276 PolarHBondContact O-N 3.18Å; N274-M277 HydrophobicContact CB-CG 4.28Å; N274-M277 WeakPolarHBondContact O-CB 3.31Å; N274-M277 PolarHBondContact O-N 3.07Å
275P36.9Very low46.7Very low52 Ų5269.5 Ų69.534%0.33838%0.379SS..THydrogen-bonded Turntrans-49.6128173.5-24.132.7000110.6A232A232-P275 HydrophobicContact CB-CB 4.16Å; A232-P275 HydrophobicContact CB-CG 3.75Å
276G37.8Very low47.2Very low56 Ų5672.2 Ų72.258%0.57740%0.397SS*.THydrogen-bonded Turntrans96.6-9.7-178.400000116.1N274N274-G276 PolarHBondContact O-N 3.18Å
277M36.6Very low47.6Very low97 Ų9769.8 Ų69.848%0.47839%0.385SS..  trans-75.4131.3170.8-71.1-72.7-7400110.6P273 N274 A279P273-M277 HydrophobicContact CB-CB 3.68Å; P273-M277 HydrophobicContact CB-CG 4.29Å; N274-M277 HydrophobicContact CB-CG 4.28Å; N274-M277 WeakPolarHBondContact O-CB 3.31Å; N274-M277 PolarHBondContact O-N 3.07Å; M277-A279 PolarHBondContact O-N 3.46Å
278P33.9Very low47.7Very low117 Ų11764.8 Ų64.876%0.7636%0.359SS*.  trans-67.2108.1166.227.7-30.2000107.4
279A46.5Very low48.4Very low30 Ų3066.4 Ų66.425%0.24837%0.371CS..  trans-114.5146174.400000109.2P273 M277 L281 V284P273-A279 HydrophobicContact CB-CB 3.94Å; P273-A279 HydrophobicContact CG-CB 3.06Å; M277-A279 PolarHBondContact O-N 3.46Å; A279-L281 PolarHBondContact O-N 2.96Å; A279-V284 HydrophobicContact CB-CG2 3.39Å
280N50.4Low49.2Very low87 Ų8770.4 Ų70.447%0.46539%0.389SS..  trans-57.3114.4166.5179.11.5000107.7M282 D283 V284N280-M282 PolarHBondContact O-N 3.42Å; N280-M282 VanDerWaalsContact O-N 3.08Å; N280-M282 WeakPolarHBondContact OD1-CB 3.4Å; N280-M282 PolarHBondContact OD1-N 2.95Å; N280-M282 VanDerWaalsContact OD1-N 3.1Å; N280-D283 HydrophobicContact CB-CB 4.23Å; N280-D283 VanDerWaalsContact CB-OD2 3.26Å; N280-D283 WeakPolarHBondContact CB-OD2 3.4Å; N280-D283 PolarHBondContact ND2-OD2 3.28Å; N280-D283 VanDerWaalsContact ND2-OD2 3.08Å; N280-D283 PolarHBondContact O-N 3.32Å; N280-V284 PolarHBondContact O-N 3.48Å; N280-V284 VanDerWaalsContact O-N 3.12Å
281L45.4Very low49.7Very low93 Ų9360.7 Ų60.749%0.48735%0.353SS..Hα-helixtrans-52.7-34.7-178.6-73.3174.4000110.8A279 V284 F285A279-L281 PolarHBondContact O-N 2.96Å; L281-V284 PolarHBondContact O-N 3.04Å; L281-F285 HydrophobicContact CB-CD2 4.2Å; L281-F285 HydrophobicContact CB-CE2 3.7Å; L281-F285 HydrophobicContact CB-CZ 4.15Å; L281-F285 HydrophobicContact CD2-CZ 4.32Å; L281-F285 VanDerWaalsContact O-CB 3.32Å; L281-F285 WeakPolarHBondContact O-CB 3.47Å; L281-F285 WeakPolarHBondContact O-CD2 3.28Å; L281-F285 WeakPolarHBondContact O-CG 2.85Å; L281-F285 PolarHBondContact O-N 3.2Å
282M50Low50.1Low132 Ų13257.8 Ų57.865%0.6534%0.335SS*.Hα-helixtrans-65.4-42.5178.1-62.3-62.5-80.300113N280 V284 F285 S286N280-M282 PolarHBondContact O-N 3.42Å; N280-M282 VanDerWaalsContact O-N 3.08Å; N280-M282 WeakPolarHBondContact OD1-CB 3.4Å; N280-M282 PolarHBondContact OD1-N 2.95Å; N280-M282 VanDerWaalsContact OD1-N 3.1Å; M282-V284 VanDerWaalsContact C-N 3.34Å; M282-F285 PolarHBondContact O-N 2.67Å; M282-F285 HydrophobicContact SD-CD2 4.4Å; M282-S286 WeakPolarHBondContact O-CB 3.48Å; M282-S286 PolarHBondContact O-N 3.21Å
283D56Low51.1Low90 Ų9063.2 Ų63.248%0.48136%0.36SS..Hα-helixtrans-67.6-40.3178.8-62.1-26.4000110.4N280 S286 S287N280-D283 HydrophobicContact CB-CB 4.23Å; N280-D283 VanDerWaalsContact CB-OD2 3.26Å; N280-D283 WeakPolarHBondContact CB-OD2 3.4Å; N280-D283 PolarHBondContact ND2-OD2 3.28Å; N280-D283 VanDerWaalsContact ND2-OD2 3.08Å; N280-D283 PolarHBondContact O-N 3.32Å; D283-S286 PolarHBondContact O-N 3.43Å; D283-S286 PolarHBondContact O-OG 2.97Å; D283-S287 WeakPolarHBondContact O-CB 3.31Å; D283-S287 PolarHBondContact O-N 3.45Å; D283-S287 PolarHBondContact O-OG 3.17Å
284V49.4Very low52Low1 Ų162.8 Ų62.81%0.00636%0.356CS..Hα-helixtrans-63.4-42.6172.9-177.60000111.2I272 P273 A279 N280 L281 M282 S287 L288I272-V284 HydrophobicContact CG2-CG1 4.34Å; P273-V284 HydrophobicContact CG-CG2 3.62Å; A279-V284 HydrophobicContact CB-CG2 3.39Å; N280-V284 PolarHBondContact O-N 3.48Å; N280-V284 VanDerWaalsContact O-N 3.12Å; L281-V284 PolarHBondContact O-N 3.04Å; M282-V284 VanDerWaalsContact C-N 3.34Å; V284-S287 PolarHBondContact O-N 2.95Å; V284-L288 HydrophobicContact CG1-CD1 3.68Å; V284-L288 HydrophobicContact CG1-CG 4.12Å; V284-L288 VanDerWaalsContact O-CB 3.3Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 WeakPolarHBondContact O-CG 3.07Å; V284-L288 PolarHBondContact O-N 2.98Å
285F55.8Low52.9Low68 Ų6857.1 Ų57.130%0.29833%0.326SS..Hα-helixtrans-66.1-41.4178.3-66.3-34.5000112.2L281 M282 L288 S289 F329L281-F285 HydrophobicContact CB-CD2 4.2Å; L281-F285 HydrophobicContact CB-CE2 3.7Å; L281-F285 HydrophobicContact CB-CZ 4.15Å; L281-F285 HydrophobicContact CD2-CZ 4.32Å; L281-F285 VanDerWaalsContact O-CB 3.32Å; L281-F285 WeakPolarHBondContact O-CB 3.47Å; L281-F285 WeakPolarHBondContact O-CD2 3.28Å; L281-F285 WeakPolarHBondContact O-CG 2.85Å; L281-F285 PolarHBondContact O-N 3.2Å; M282-F285 PolarHBondContact O-N 2.67Å; M282-F285 HydrophobicContact SD-CD2 4.4Å; F285-L288 PolarHBondContact O-N 3.38Å; F285-S289 WeakPolarHBondContact O-CB 3.43Å; F285-S289 PolarHBondContact O-N 2.96Å; F285-F329 HydrophobicContact CB-CZ 4.46Å; F285-F329 AromaticContact CD1-CE1 3.9Å; F285-F329 HydrophobicContact CD1-CE1 3.9Å; F285-F329 AromaticContact CD1-CZ 3.47Å; F285-F329 HydrophobicContact CD1-CZ 3.47Å; F285-F329 VanDerWaalsContact CD1-CZ 3.47Å; F285-F329 HydrophobicContact CE1-CE1 4.22Å; F285-F329 AromaticContact CE1-CZ 3.96Å; F285-F329 HydrophobicContact CE1-CZ 3.96Å; F285-F329 HydrophobicContact CG-CE1 4.31Å; F285-F329 HydrophobicContact CG-CZ 4.18Å
286S62.6Low54.3Low56 Ų5657.3 Ų57.339%0.39232%0.323SS..Hα-helixtrans-62.1-44.8175.573.80000111.3M282 D283 S289 Q290M282-S286 WeakPolarHBondContact O-CB 3.48Å; M282-S286 PolarHBondContact O-N 3.21Å; D283-S286 PolarHBondContact O-N 3.43Å; D283-S286 PolarHBondContact O-OG 2.97Å; S286-S289 PolarHBondContact O-N 2.87Å; S286-Q290 WeakPolarHBondContact O-CG 3.36Å; S286-Q290 PolarHBondContact O-N 3.39Å
287S60.2Low55.7Low4 Ų458.7 Ų58.73%0.02831%0.314CS..Hα-helixtrans-64.6-43.8176.7-54.70000111.3T268 V271 D283 V284 S289 Q290 L291T268-S287 WeakPolarHBondContact CG2-O 3.26Å; V271-S287 WeakPolarHBondContact CG1-OG 3.43Å; D283-S287 WeakPolarHBondContact O-CB 3.31Å; D283-S287 PolarHBondContact O-N 3.45Å; D283-S287 PolarHBondContact O-OG 3.17Å; V284-S287 PolarHBondContact O-N 2.95Å; S287-S289 VanDerWaalsContact C-N 3.35Å; S287-S289 PolarHBondContact O-N 3.36Å; S287-Q290 PolarHBondContact O-N 3.41Å; S287-L291 WeakPolarHBondContact O-CB 3.42Å; S287-L291 VanDerWaalsContact O-CG 3.27Å; S287-L291 WeakPolarHBondContact O-CG 3.39Å; S287-L291 PolarHBondContact O-N 3.32Å
288L55.4Low57Low2 Ų254.1 Ų54.11%0.0129%0.291CS..Hα-helixtrans-66.4-35.3177-72.5170000112.4I272 V284 F285 L291 T292 Y325 L328I272-L288 HydrophobicContact CD1-CD2 3.75Å; I272-L288 HydrophobicContact CG1-CD2 4.4Å; V284-L288 HydrophobicContact CG1-CD1 3.68Å; V284-L288 HydrophobicContact CG1-CG 4.12Å; V284-L288 VanDerWaalsContact O-CB 3.3Å; V284-L288 WeakPolarHBondContact O-CB 3.47Å; V284-L288 WeakPolarHBondContact O-CG 3.07Å; V284-L288 PolarHBondContact O-N 2.98Å; F285-L288 PolarHBondContact O-N 3.38Å; L288-L291 PolarHBondContact O-N 2.81Å; L288-T292 PolarHBondContact O-N 3.06Å; L288-T292 PolarHBondContact O-OG1 3.19Å; L288-Y325 HydrophobicContact CB-CD2 3.96Å; L288-Y325 HydrophobicContact CB-CE2 3.63Å; L288-L328 HydrophobicContact CD1-CD2 4.29Å
289S62.3Low58.3Low46 Ų4649 Ų4932%0.32226%0.259SS..Hα-helixtrans-64.8-48.7174.7-168.70000111.2F285 S286 S287 L291 T292 E293F285-S289 WeakPolarHBondContact O-CB 3.43Å; F285-S289 PolarHBondContact O-N 2.96Å; S286-S289 PolarHBondContact O-N 2.87Å; S287-S289 VanDerWaalsContact C-N 3.35Å; S287-S289 PolarHBondContact O-N 3.36Å; S289-L291 VanDerWaalsContact C-N 3.28Å; S289-L291 PolarHBondContact O-N 3.31Å; S289-T292 WeakPolarHBondContact O-CA 3.46Å; S289-T292 VanDerWaalsContact O-CB 3.3Å; S289-T292 WeakPolarHBondContact O-CB 3.39Å; S289-T292 PolarHBondContact O-N 2.82Å; S289-E293 PolarHBondContact O-N 3.39Å
290Q64.7Low59.3Low95 Ų9553.8 Ų53.844%0.44427%0.274SS..Hα-helixtrans-58.4-40.8174.6-75.7176.310.800111.6T268 S286 S287 T292 E293 L294T268-Q290 HydrophobicContact CG2-CB 3.63Å; T268-Q290 PolarHBondContact OG1-OE1 2.96Å; S286-Q290 WeakPolarHBondContact O-CG 3.36Å; S286-Q290 PolarHBondContact O-N 3.39Å; S287-Q290 PolarHBondContact O-N 3.41Å; Q290-T292 VanDerWaalsContact C-N 3.28Å; Q290-T292 PolarHBondContact O-N 3.38Å; Q290-E293 PolarHBondContact O-N 2.86Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 WeakPolarHBondContact O-CD1 3.3Å; Q290-L294 VanDerWaalsContact O-CG 3.22Å; Q290-L294 WeakPolarHBondContact O-CG 3.09Å; Q290-L294 PolarHBondContact O-N 3.48Å
291L59.7Low59.8Low2 Ų251.5 Ų51.51%0.0126%0.262CS..Hα-helixtrans-64.1-34.8175-75.7165.7000113.2L265 T268 M269 I272 S287 L288 S289 A295L265-L291 HydrophobicContact CD1-CD2 3.73Å; L265-L291 HydrophobicContact CG-CD2 3.78Å; L265-L291 WeakPolarHBondContact O-CD2 3.46Å; T268-L291 HydrophobicContact CG2-CD1 4.13Å; T268-L291 HydrophobicContact CG2-CD2 4.1Å; T268-L291 HydrophobicContact CG2-CG 3.58Å; M269-L291 HydrophobicContact CB-CD2 4.34Å; M269-L291 HydrophobicContact CG-CD1 4.06Å; M269-L291 HydrophobicContact CG-CD2 3.35Å; M269-L291 HydrophobicContact CG-CG 4.36Å; I272-L291 HydrophobicContact CD1-CD1 3.05Å; I272-L291 HydrophobicContact CG1-CD1 3.69Å; S287-L291 WeakPolarHBondContact O-CB 3.42Å; S287-L291 VanDerWaalsContact O-CG 3.27Å; S287-L291 WeakPolarHBondContact O-CG 3.39Å; S287-L291 PolarHBondContact O-N 3.32Å; L288-L291 PolarHBondContact O-N 2.81Å; S289-L291 VanDerWaalsContact C-N 3.28Å; S289-L291 PolarHBondContact O-N 3.31Å; L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 2.84Å
292T58.5Low60.4Low24 Ų2448.1 Ų48.115%0.14724%0.244CC..Hα-helixtrans-65.7-48.7176.5-58.50000109.9L288 S289 Q290 L294 A295 E296 L322 Y325L288-T292 PolarHBondContact O-N 3.06Å; L288-T292 PolarHBondContact O-OG1 3.19Å; S289-T292 WeakPolarHBondContact O-CA 3.46Å; S289-T292 VanDerWaalsContact O-CB 3.3Å; S289-T292 WeakPolarHBondContact O-CB 3.39Å; S289-T292 PolarHBondContact O-N 2.82Å; Q290-T292 VanDerWaalsContact C-N 3.28Å; Q290-T292 PolarHBondContact O-N 3.38Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 2.89Å; T292-A295 PolarHBondContact O-N 2.86Å; T292-E296 WeakPolarHBondContact O-CG 3.27Å; T292-E296 PolarHBondContact O-N 2.91Å; T292-L322 HydrophobicContact CG2-CD2 3.48Å; T292-L322 VanDerWaalsContact CG2-CD2 3.48Å; T292-Y325 HydrophobicContact CG2-CD1 3.98Å; T292-Y325 HydrophobicContact CG2-CE1 4Å; T292-Y325 WeakPolarHBondContact OG1-CD1 3.28Å; T292-Y325 WeakPolarHBondContact OG1-CD2 3.28Å; T292-Y325 WeakPolarHBondContact OG1-CE2 3.15Å
293E66.4Low60.9Low124 Ų12447.9 Ų47.958%0.57924%0.239SC*.Hα-helixtrans-57.5-46.1176.3-69.7174.6-169.100111.8S289 Q290 E296 E297S289-E293 PolarHBondContact O-N 3.39Å; Q290-E293 PolarHBondContact O-N 2.86Å; E293-E296 PolarHBondContact O-N 2.88Å; E293-E297 PolarHBondContact O-N 3.4Å
294L62Low60.9Low23 Ų2348.3 Ų48.312%0.1225%0.245CC..Hα-helixtrans-68.6-36.5178.7-69.3166.9000112.6C261 L265 Q290 T292 E297 A298C261-L294 PolarHBondContact SG-O 3.33Å; C261-L294 VanDerWaalsContact SG-O 3.33Å; L265-L294 HydrophobicContact CB-CB 4.34Å; L265-L294 HydrophobicContact CB-CD1 4.4Å; L265-L294 HydrophobicContact CD1-CB 3.66Å; Q290-L294 WeakPolarHBondContact O-CB 3.48Å; Q290-L294 WeakPolarHBondContact O-CD1 3.3Å; Q290-L294 VanDerWaalsContact O-CG 3.22Å; Q290-L294 WeakPolarHBondContact O-CG 3.09Å; Q290-L294 PolarHBondContact O-N 3.48Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 2.89Å; L294-E297 PolarHBondContact O-N 3.12Å; L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 2.98Å
295A60.5Low60.7Low1 Ų153.6 Ų53.61%0.00827%0.27CS..Hα-helixtrans-67.7-38.2174.400000111.6M241 L291 T292 A299 L322M241-A295 HydrophobicContact CE-CB 3.79Å; M241-A295 HydrophobicContact SD-CB 4.21Å; L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 2.84Å; T292-A295 PolarHBondContact O-N 2.86Å; A295-A299 VanDerWaalsContact O-CB 3.3Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 3.36Å; A295-L322 HydrophobicContact CB-CD1 4.41Å; A295-L322 HydrophobicContact CB-CD2 3.87Å; A295-L322 HydrophobicContact CB-CG 4.05Å
296E65.8Low60.2Low56 Ų5658.9 Ų58.926%0.26230%0.301SS..Hα-helixtrans-66.5-41.6173.8-73.5-168.7164.100112.3T292 E293 A299 K300 L322 K334T292-E296 WeakPolarHBondContact O-CG 3.27Å; T292-E296 PolarHBondContact O-N 2.91Å; E293-E296 PolarHBondContact O-N 2.88Å; E296-A299 PolarHBondContact O-N 2.92Å; E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.2Å; E296-K300 PolarHBondContact O-N 3.21Å; E296-L322 HydrophobicContact CG-CD1 3.93Å; E296-L322 HydrophobicContact CG-CD2 3.93Å; E296-K334 WeakPolarHBondContact OE1-CE 3.32Å; E296-K334 IonicContact OE1-NZ 2.71Å; E296-K334 PolarHBondContact OE1-NZ 3.5Å
297E67.8Low59.5Low84 Ų8458.9 Ų58.939%0.39330%0.299SS..Hα-helixtrans-64.1-46.7174.4-174175.9-176.500110.9E293 L294 A299 K300 L301E293-E297 PolarHBondContact O-N 3.4Å; L294-E297 PolarHBondContact O-N 3.12Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 2.85Å; E297-K300 PolarHBondContact O-N 2.95Å; E297-L301 HydrophobicContact CG-CD1 3.9Å; E297-L301 HydrophobicContact CG-CG 4.38Å; E297-L301 WeakPolarHBondContact O-CB 3.4Å; E297-L301 VanDerWaalsContact O-CG 3.25Å; E297-L301 WeakPolarHBondContact O-CG 3.35Å; E297-L301 PolarHBondContact O-N 2.93Å
298A62.8Low59Low1 Ų161 Ų611%0.00831%0.307CS..Hα-helixtrans-56.8-45.7174.200000111.9F262 L294 K300 L301 M302F262-A298 HydrophobicContact CE2-CB 3.84Å; F262-A298 HydrophobicContact CZ-CB 3.68Å; L294-A298 VanDerWaalsContact O-CB 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 2.98Å; A298-K300 PolarHBondContact O-N 3.43Å; A298-L301 PolarHBondContact O-N 3.11Å; A298-M302 HydrophobicContact CB-CE 4.4Å; A298-M302 VanDerWaalsContact O-CG 3.23Å; A298-M302 WeakPolarHBondContact O-CG 3.49Å; A298-M302 PolarHBondContact O-N 3.45Å
299A62.6Low58.8Low9 Ų969 Ų697%0.07435%0.35CS..Hα-helixtrans-63.6-38.8177.200000112.6A295 E296 E297 M302 K303 A318A295-A299 VanDerWaalsContact O-CB 3.3Å; A295-A299 WeakPolarHBondContact O-CB 3.21Å; A295-A299 PolarHBondContact O-N 3.36Å; E296-A299 PolarHBondContact O-N 2.92Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 2.85Å; A299-M302 PolarHBondContact O-N 3.3Å; A299-K303 WeakPolarHBondContact O-CG 3.32Å; A299-K303 PolarHBondContact O-N 3.35Å; A299-A318 HydrophobicContact CB-CB 4.49Å
300K66.8Low58.4Low132 Ų13270.8 Ų70.857%0.57436%0.356SS*.Hα-helixtrans-64.4-46.6173.9-74.9168.2-174.1164.70111.3E296 E297 A298 M302 K303 T304E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.2Å; E296-K300 PolarHBondContact O-N 3.21Å; E297-K300 PolarHBondContact O-N 2.95Å; A298-K300 PolarHBondContact O-N 3.43Å; K300-M302 VanDerWaalsContact C-N 3.26Å; K300-M302 PolarHBondContact O-N 3.49Å; K300-K303 PolarHBondContact O-N 3.27Å; K300-K303 VanDerWaalsContact O-N 3.08Å; K300-T304 PolarHBondContact O-N 3.5Å; K300-T304 PolarHBondContact O-OG1 3.23Å
301L60.1Low58.2Low39 Ų3966.6 Ų66.620%0.20434%0.338CS..Hα-helixtrans-61.3-35.7178.8-70.4167000111.8Q258 C261 E297 A298 K303 T304Q258-L301 HydrophobicContact CG-CB 4.36Å; Q258-L301 HydrophobicContact CG-CD1 4.17Å; Q258-L301 HydrophobicContact CG-CD2 4.31Å; C261-L301 HydrophobicContact CB-CD1 4.32Å; E297-L301 HydrophobicContact CG-CD1 3.9Å; E297-L301 HydrophobicContact CG-CG 4.38Å; E297-L301 WeakPolarHBondContact O-CB 3.4Å; E297-L301 VanDerWaalsContact O-CG 3.25Å; E297-L301 WeakPolarHBondContact O-CG 3.35Å; E297-L301 PolarHBondContact O-N 2.93Å; A298-L301 PolarHBondContact O-N 3.11Å; L301-K303 VanDerWaalsContact C-N 3.33Å; L301-T304 PolarHBondContact O-N 3.34Å; L301-T304 PolarHBondContact O-OG1 3.26Å
302M59.2Low58.4Low21 Ų2169.4 Ų69.410%0.10336%0.356CS..Hα-helixtrans-70.3-25175.2-71.7171.8-168.300113.8C245 F262 A298 A299 K300 A311 L314 A315C245-M302 WeakPolarHBondContact SG-CE 3.38Å; F262-M302 HydrophobicContact CE2-CE 4.22Å; F262-M302 HydrophobicContact CZ-CE 3.65Å; A298-M302 HydrophobicContact CB-CE 4.4Å; A298-M302 VanDerWaalsContact O-CG 3.23Å; A298-M302 WeakPolarHBondContact O-CG 3.49Å; A298-M302 PolarHBondContact O-N 3.45Å; A299-M302 PolarHBondContact O-N 3.3Å; K300-M302 VanDerWaalsContact C-N 3.26Å; K300-M302 PolarHBondContact O-N 3.49Å; M302-A311 HydrophobicContact CB-CB 4.42Å; M302-L314 HydrophobicContact CE-CB 3.74Å; M302-L314 HydrophobicContact CE-CD1 4.23Å; M302-L314 HydrophobicContact SD-CB 3.56Å; M302-L314 VanDerWaalsContact SD-CB 3.56Å; M302-A315 HydrophobicContact SD-CB 4.34Å
303K59.7Low58.7Low128 Ų12874 Ų7456%0.55737%0.371SS*.Hα-helixtrans-79.8-19.7177.2-74.7-176.8177.2-1690113A299 K300 L301 D341A299-K303 WeakPolarHBondContact O-CG 3.32Å; A299-K303 PolarHBondContact O-N 3.35Å; K300-K303 PolarHBondContact O-N 3.27Å; K300-K303 VanDerWaalsContact O-N 3.08Å; L301-K303 VanDerWaalsContact C-N 3.33Å; K303-D341 IonicContact NZ-OD2 3.54Å; K303-D341 PolarHBondContact NZ-OD2 3.39Å
304T55.9Low58.6Low98 Ų9868.6 Ų68.660%0.60135%0.346SS*.Hα-helixtrans-93-17.5-166.344.40000115.9K300 L301K300-T304 PolarHBondContact O-N 3.5Å; K300-T304 PolarHBondContact O-OG1 3.23Å; L301-T304 PolarHBondContact O-N 3.34Å; L301-T304 PolarHBondContact O-OG1 3.26Å
305E45.2Very low58.9Low113 Ų11367.8 Ų67.853%0.52834%0.343SS..  trans-146.9142.9-174.7-58.4-178.8152.400112V307E305-V307 HydrophobicContact CB-CB 4.4Å; E305-V307 HydrophobicContact CB-CG2 3.4Å; E305-V307 PolarHBondContact O-N 3.39Å
306D45.6Very low59.5Low178 Ų17868 Ų6895%0.95234%0.344SS*.SBendtrans-62.734.8176.5-91.3-27.7000114.1
307V47.6Very low59.6Low57 Ų5766.2 Ų66.235%0.34534%0.337SS..  trans-84.9-19.1-163.6176.60000111.4L252 E305L252-V307 HydrophobicContact CD1-CG1 3.03Å; L252-V307 HydrophobicContact CD2-CG1 4.14Å; L252-V307 HydrophobicContact CG-CG1 4.19Å; E305-V307 HydrophobicContact CB-CB 4.4Å; E305-V307 HydrophobicContact CB-CG2 3.4Å; E305-V307 PolarHBondContact O-N 3.39Å
308F50Low59.6Low48 Ų4862.2 Ų62.221%0.21132%0.318CS..  trans-144.3127.8178.4-50.2-66.4000113.2P248 L249 L252 D310 A311P248-F308 HydrophobicContact CB-CD1 3.24Å; P248-F308 HydrophobicContact CB-CE1 2.89Å; P248-F308 HydrophobicContact CB-CE2 4.31Å; P248-F308 HydrophobicContact CB-CG 4.09Å; P248-F308 HydrophobicContact CB-CZ 3.47Å; P248-F308 VanDerWaalsContact CB-CZ 3.47Å; P248-F308 HydrophobicContact CG-CD1 4.21Å; P248-F308 HydrophobicContact CG-CE1 4.2Å; P248-F308 WeakPolarHBondContact O-CE1 3.4Å; L249-F308 HydrophobicContact CD2-CZ 4.34Å; L252-F308 HydrophobicContact CD1-CD1 4.2Å; L252-F308 HydrophobicContact CD1-CE1 3.1Å; L252-F308 HydrophobicContact CD1-CE2 4.24Å; L252-F308 HydrophobicContact CD1-CZ 3.16Å; L252-F308 HydrophobicContact CG-CE1 4.39Å; F308-D310 PolarHBondContact O-N 2.79Å; F308-D310 VanDerWaalsContact O-N 3.15Å; F308-A311 HydrophobicContact CB-CB 3.84Å; F308-A311 HydrophobicContact CD2-CB 4.32Å; F308-A311 WeakPolarHBondContact O-CB 3.23Å; F308-A311 PolarHBondContact O-N 3.03Å
309N52.1Low60.3Low170 Ų17062.6 Ų62.691%0.90932%0.32SS*.THydrogen-bonded Turntrans-55.9-27.6164.6-69-18000111.8
310D54.2Low60.9Low83 Ų8362.1 Ų62.144%0.44432%0.316SS..THydrogen-bonded Turntrans-92.1-2.6176.9-70-43.4000114.5F308 P312 R313 L314F308-D310 PolarHBondContact O-N 2.79Å; F308-D310 VanDerWaalsContact O-N 3.15Å; D310-P312 VanDerWaalsContact C-CD 3.44Å; D310-P312 VanDerWaalsContact C-N 3.31Å; D310-R313 WeakPolarHBondContact O-CB 3.43Å; D310-R313 PolarHBondContact O-N 2.93Å; D310-L314 WeakPolarHBondContact O-CG 3.23Å; D310-L314 PolarHBondContact O-N 3.4Å
311A59.3Low61Low8 Ų856 Ų567%0.06629%0.29CS..Hα-helixtrans-52.5-42.9-177.800000113.1M302 F308 R313 L314 A315M302-A311 HydrophobicContact CB-CB 4.42Å; F308-A311 HydrophobicContact CB-CB 3.84Å; F308-A311 HydrophobicContact CD2-CB 4.32Å; F308-A311 WeakPolarHBondContact O-CB 3.23Å; F308-A311 PolarHBondContact O-N 3.03Å; A311-R313 VanDerWaalsContact C-N 3.34Å; A311-R313 PolarHBondContact O-N 2.78Å; A311-L314 PolarHBondContact O-N 3.38Å; A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.32Å
312P63.9Low61.5Low60 Ų6054.5 Ų54.539%0.3928%0.282SS..Hα-helixtrans-61-40.5176.4-24.436.4000112.6D310 A315 T316 L352D310-P312 VanDerWaalsContact C-CD 3.44Å; D310-P312 VanDerWaalsContact C-N 3.31Å; P312-A315 PolarHBondContact O-N 3.41Å; P312-T316 PolarHBondContact O-N 2.99Å; P312-T316 VanDerWaalsContact O-N 3.11Å; P312-T316 PolarHBondContact O-OG1 3.41Å; P312-T316 VanDerWaalsContact O-OG1 3.13Å; P312-L352 HydrophobicContact CB-CD1 4.13Å; P312-L352 HydrophobicContact CB-CD2 3.24Å; P312-L352 HydrophobicContact CB-CG 4.09Å; P312-L352 WeakPolarHBondContact O-CD2 3.3Å
313R65.6Low62.5Low121 Ų12153.5 Ų53.546%0.45728%0.277SS..Hα-helixtrans-67.1-41.3177.4-66.2-179.7178.3-178.60.3111.8D310 A311 T316 V317 E351D310-R313 WeakPolarHBondContact O-CB 3.43Å; D310-R313 PolarHBondContact O-N 2.93Å; A311-R313 VanDerWaalsContact C-N 3.34Å; A311-R313 PolarHBondContact O-N 2.78Å; R313-T316 WeakPolarHBondContact O-CB 3.12Å; R313-T316 PolarHBondContact O-N 3.2Å; R313-V317 PolarHBondContact O-N 3.05Å; R313-V317 VanDerWaalsContact O-N 3.13Å; R313-E351 IonicContact CZ-OE2 3.68Å; R313-E351 IonicContact NH2-OE2 2.91Å; R313-E351 PolarHBondContact NH2-OE2 2.89Å
314L63.1Low63Low10 Ų1047.4 Ų47.45%0.05225%0.25CS..Hα-helixtrans-63.1-42.4175.7-64.8176.7000111.8P248 M302 D310 A311 T316 V317 A318P248-L314 HydrophobicContact CG-CD1 4.44Å; M302-L314 HydrophobicContact CE-CB 3.74Å; M302-L314 HydrophobicContact CE-CD1 4.23Å; M302-L314 HydrophobicContact SD-CB 3.56Å; M302-L314 VanDerWaalsContact SD-CB 3.56Å; D310-L314 WeakPolarHBondContact O-CG 3.23Å; D310-L314 PolarHBondContact O-N 3.4Å; A311-L314 PolarHBondContact O-N 3.38Å; L314-T316 VanDerWaalsContact C-N 3.27Å; L314-T316 PolarHBondContact O-N 2.84Å; L314-V317 PolarHBondContact O-N 3.32Å; L314-V317 VanDerWaalsContact O-N 3.16Å; L314-A318 PolarHBondContact O-N 3.08Å
315A68.4Low63.6Low7 Ų744.6 Ų44.66%0.05823%0.229CC..Hα-helixtrans-60.2-37.6174.800000111.5M302 A311 P312 A318 N319M302-A315 HydrophobicContact SD-CB 4.34Å; A311-A315 WeakPolarHBondContact O-CB 3.42Å; A311-A315 PolarHBondContact O-N 3.32Å; P312-A315 PolarHBondContact O-N 3.41Å; A315-A318 PolarHBondContact O-N 3.37Å; A315-N319 VanDerWaalsContact O-CB 3.31Å; A315-N319 WeakPolarHBondContact O-CB 3.45Å; A315-N319 PolarHBondContact O-N 3.31Å; A315-N319 PolarHBondContact O-ND2 3.32Å
316T73.3Confident65Low5 Ų539.3 Ų39.33%0.03121%0.205CC..Hα-helixtrans-63.7-42173.8-57.40000112.4P312 R313 L314 N319 A320 L342 S358 L361P312-T316 PolarHBondContact O-N 2.99Å; P312-T316 VanDerWaalsContact O-N 3.11Å; P312-T316 PolarHBondContact O-OG1 3.41Å; P312-T316 VanDerWaalsContact O-OG1 3.13Å; R313-T316 WeakPolarHBondContact O-CB 3.12Å; R313-T316 PolarHBondContact O-N 3.2Å; L314-T316 VanDerWaalsContact C-N 3.27Å; L314-T316 PolarHBondContact O-N 2.84Å; T316-N319 PolarHBondContact O-N 2.97Å; T316-A320 WeakPolarHBondContact O-CB 3.29Å; T316-A320 PolarHBondContact O-N 2.93Å; T316-L342 HydrophobicContact CG2-CD1 4.09Å; T316-L342 HydrophobicContact CG2-CD2 4.21Å; T316-S358 WeakPolarHBondContact CG2-OG 3.49Å; T316-L361 HydrophobicContact CG2-CD1 3.89Å
317V67.8Low65.9Low19 Ų1931.2 Ų31.212%0.11516%0.162CC..Hα-helixtrans-61.7-45.7174.9179.70000110.8R240 M241 R313 L314 A320 A321 S357R240-V317 HydrophobicContact CB-CG1 4.41Å; M241-V317 HydrophobicContact CB-CG1 3.95Å; R313-V317 PolarHBondContact O-N 3.05Å; R313-V317 VanDerWaalsContact O-N 3.13Å; L314-V317 PolarHBondContact O-N 3.32Å; L314-V317 VanDerWaalsContact O-N 3.16Å; V317-A320 PolarHBondContact O-N 3.23Å; V317-A321 PolarHBondContact O-N 2.93Å; V317-A321 VanDerWaalsContact O-N 3.12Å; V317-S357 WeakPolarHBondContact CG2-OG 3.47Å
318A68.4Low66.7Low0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-60.7-47.2177.300000111.7M241 A299 L314 A315 A320 A321 L322M241-A318 HydrophobicContact CG-CB 4.46Å; M241-A318 VanDerWaalsContact SD-CA 3.51Å; M241-A318 HydrophobicContact SD-CB 3.39Å; M241-A318 WeakPolarHBondContact SD-CB 3.42Å; A299-A318 HydrophobicContact CB-CB 4.49Å; L314-A318 PolarHBondContact O-N 3.08Å; A315-A318 PolarHBondContact O-N 3.37Å; A318-A320 VanDerWaalsContact C-N 3.3Å; A318-A320 PolarHBondContact O-N 3.29Å; A318-A321 PolarHBondContact O-N 3.41Å; A318-L322 WeakPolarHBondContact O-CG 2.9Å; A318-L322 PolarHBondContact O-N 3.08Å
319N77.3Confident67.6Low8 Ų832.4 Ų32.44%0.04316%0.164CC..Hα-helixtrans-60.9-37.9176.8-72.9-22.6000111.8A315 T316 L322 S323 L338 L361A315-N319 VanDerWaalsContact O-CB 3.31Å; A315-N319 WeakPolarHBondContact O-CB 3.45Å; A315-N319 PolarHBondContact O-N 3.31Å; A315-N319 PolarHBondContact O-ND2 3.32Å; T316-N319 PolarHBondContact O-N 2.97Å; N319-L322 PolarHBondContact O-N 3.05Å; N319-S323 WeakPolarHBondContact O-CB 3.34Å; N319-S323 PolarHBondContact O-N 3.19Å; N319-L338 HydrophobicContact CB-CD2 4.29Å; N319-L361 HydrophobicContact CB-CD1 4.02Å; N319-L361 HydrophobicContact CB-CD2 4.21Å; N319-L361 WeakPolarHBondContact O-CD2 2.89Å
320A74.9Confident68.4Low0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-64.7-40176.800000112.6T316 V317 A318 S324 L360 L361T316-A320 WeakPolarHBondContact O-CB 3.29Å; T316-A320 PolarHBondContact O-N 2.93Å; V317-A320 PolarHBondContact O-N 3.23Å; A318-A320 VanDerWaalsContact C-N 3.3Å; A318-A320 PolarHBondContact O-N 3.29Å; A320-S324 PolarHBondContact O-N 3.32Å; A320-S324 PolarHBondContact O-OG 2.91Å; A320-L360 HydrophobicContact CB-CD2 4.23Å; A320-L361 HydrophobicContact CB-CD1 4.25Å; A320-L361 HydrophobicContact CB-CD2 4.5Å; A320-L361 HydrophobicContact CB-CG 3.84Å
321A69.1Low69.5Low2 Ų225.8 Ų25.82%0.01714%0.137CC..Hα-helixtrans-65.7-47.7173.600000111.9H237 N238 V317 A318 S323 S324 Y325H237-A321 HydrophobicContact CB-CB 4.09Å; N238-A321 WeakPolarHBondContact OD1-CB 3.38Å; V317-A321 PolarHBondContact O-N 2.93Å; V317-A321 VanDerWaalsContact O-N 3.12Å; A318-A321 PolarHBondContact O-N 3.41Å; A321-S323 VanDerWaalsContact C-N 3.3Å; A321-S323 PolarHBondContact O-N 3Å; A321-S324 PolarHBondContact O-N 3.35Å; A321-Y325 PolarHBondContact O-N 2.91Å
322L71.8Confident70.6Confident8 Ų828.6 Ų28.64%0.04215%0.146CC..Hα-helixtrans-58.9-40.1176-72.7173.4000112.2T292 A295 E296 A318 N319 Y325 A326 L338T292-L322 HydrophobicContact CG2-CD2 3.48Å; T292-L322 VanDerWaalsContact CG2-CD2 3.48Å; A295-L322 HydrophobicContact CB-CD1 4.41Å; A295-L322 HydrophobicContact CB-CD2 3.87Å; A295-L322 HydrophobicContact CB-CG 4.05Å; E296-L322 HydrophobicContact CG-CD1 3.93Å; E296-L322 HydrophobicContact CG-CD2 3.93Å; A318-L322 WeakPolarHBondContact O-CG 2.9Å; A318-L322 PolarHBondContact O-N 3.08Å; N319-L322 PolarHBondContact O-N 3.05Å; L322-Y325 PolarHBondContact O-N 3.18Å; L322-A326 WeakPolarHBondContact O-CB 3.34Å; L322-A326 PolarHBondContact O-N 3.24Å; L322-L338 HydrophobicContact CB-CD1 3.78Å
323S79.4Confident71.7Confident0 Ų034.4 Ų34.40%016%0.16CC..Hα-helixtrans-66.9-38.9177178.30000112.2N319 A321 Y325 A326 L327 N364N319-S323 WeakPolarHBondContact O-CB 3.34Å; N319-S323 PolarHBondContact O-N 3.19Å; A321-S323 VanDerWaalsContact C-N 3.3Å; A321-S323 PolarHBondContact O-N 3Å; S323-Y325 VanDerWaalsContact C-N 3.34Å; S323-A326 PolarHBondContact O-N 3.49Å; S323-L327 PolarHBondContact O-N 3.32Å; S323-N364 WeakPolarHBondContact OG-CB 3.26Å; S323-N364 PolarHBondContact OG-ND2 3.37Å
324S70.8Confident72.5Confident0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-66.6-38.6175.8-56.10000111.7A320 A321 L328 N364A320-S324 PolarHBondContact O-N 3.32Å; A320-S324 PolarHBondContact O-OG 2.91Å; A321-S324 PolarHBondContact O-N 3.35Å; S324-L328 PolarHBondContact O-N 2.88Å; S324-N364 WeakPolarHBondContact CA-ND2 3.31Å; S324-N364 PolarHBondContact N-ND2 3.08Å; S324-N364 VanDerWaalsContact N-ND2 3.19Å; S324-N364 PolarHBondContact OG-ND2 3.42Å
325Y68Low73.3Confident39 Ų3931 Ų3115%0.15315%0.148CC..Hα-helixtrans-64.3-50172.2177.5-88.3000111.1L288 T292 A321 L322 S323 L327 L328 F329L288-Y325 HydrophobicContact CB-CD2 3.96Å; L288-Y325 HydrophobicContact CB-CE2 3.63Å; T292-Y325 HydrophobicContact CG2-CD1 3.98Å; T292-Y325 HydrophobicContact CG2-CE1 4Å; T292-Y325 WeakPolarHBondContact OG1-CD1 3.28Å; T292-Y325 WeakPolarHBondContact OG1-CD2 3.28Å; T292-Y325 WeakPolarHBondContact OG1-CE2 3.15Å; A321-Y325 PolarHBondContact O-N 2.91Å; L322-Y325 PolarHBondContact O-N 3.18Å; S323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-L327 PolarHBondContact O-N 3.12Å; Y325-L328 WeakPolarHBondContact O-CA 3.44Å; Y325-L328 WeakPolarHBondContact O-CB 3.37Å; Y325-L328 PolarHBondContact O-N 3.26Å; Y325-F329 AromaticContact CD1-CD2 3.97Å; Y325-F329 HydrophobicContact CD1-CD2 3.97Å; Y325-F329 HydrophobicContact CD1-CE2 4.42Å; Y325-F329 AromaticContact CD2-CD2 3.77Å; Y325-F329 HydrophobicContact CD2-CD2 3.77Å; Y325-F329 AromaticContact CD2-CE2 3.42Å; Y325-F329 HydrophobicContact CD2-CE2 3.42Å; Y325-F329 VanDerWaalsContact CD2-CE2 3.42Å; Y325-F329 HydrophobicContact CD2-CZ 4.47Å; Y325-F329 AromaticContact CE1-CD2 3.68Å; Y325-F329 HydrophobicContact CE1-CD2 3.68Å; Y325-F329 HydrophobicContact CE1-CE2 4.05Å; Y325-F329 HydrophobicContact CE1-CG 4.3Å; Y325-F329 AromaticContact CE2-CD2 3.49Å; Y325-F329 HydrophobicContact CE2-CD2 3.49Å; Y325-F329 VanDerWaalsContact CE2-CD2 3.49Å; Y325-F329 AromaticContact CE2-CE2 2.96Å; Y325-F329 HydrophobicContact CE2-CE2 2.96Å; Y325-F329 AromaticContact CE2-CZ 3.66Å; Y325-F329 HydrophobicContact CE2-CZ 3.66Å; Y325-F329 HydrophobicContact CG-CD2 4Å; Y325-F329 HydrophobicContact CG-CE2 4.14Å; Y325-F329 AromaticContact CZ-CD2 3.42Å; Y325-F329 VanDerWaalsContact CZ-CD2 3.42Å; Y325-F329 AromaticContact CZ-CE2 3.31Å; Y325-F329 AromaticContact CZ-CZ 3.87Å; Y325-F329 WeakPolarHBondContact O-CD2 3.04Å; Y325-F329 PolarHBondContact O-N 3.26Å; Y325-F329 VanDerWaalsContact O-N 3.12Å
326A73.6Confident74Confident3 Ų334.9 Ų34.93%0.02516%0.164CC..Hα-helixtrans-53.8-42.6178.800000112.1L322 S323 F329 G330 D331 K334 A335L322-A326 WeakPolarHBondContact O-CB 3.34Å; L322-A326 PolarHBondContact O-N 3.24Å; S323-A326 PolarHBondContact O-N 3.49Å; A326-F329 PolarHBondContact O-N 3.05Å; A326-G330 PolarHBondContact O-N 2.88Å; A326-G330 VanDerWaalsContact O-N 3.11Å; A326-D331 HydrophobicContact CB-CB 4.24Å; A326-D331 WeakPolarHBondContact CB-O 3.36Å; A326-D331 PolarHBondContact O-N 2.83Å; A326-K334 HydrophobicContact CB-CB 3.89Å; A326-K334 HydrophobicContact CB-CG 3.94Å; A326-A335 HydrophobicContact CB-CB 4.37Å
327L66Low74.8Confident7 Ų738.6 Ų38.64%0.03718%0.183CC..Hα-helixtrans-61-44.8172.5-82.3-173.1000113.7L230 S323 Y325 F329 G330 Y332 A335 N364 L367 A368L230-L327 HydrophobicContact CD1-CB 4.2Å; L230-L327 HydrophobicContact CD2-CD1 4.42Å; S323-L327 PolarHBondContact O-N 3.32Å; Y325-L327 PolarHBondContact O-N 3.12Å; L327-F329 PolarHBondContact O-N 2.89Å; L327-G330 PolarHBondContact O-N 3.47Å; L327-G330 VanDerWaalsContact O-N 3.17Å; L327-Y332 HydrophobicContact CD2-CD1 3.86Å; L327-Y332 HydrophobicContact CD2-CE1 4.12Å; L327-A335 HydrophobicContact CD2-CB 4.42Å; L327-A335 HydrophobicContact CG-CB 4.41Å; L327-N364 HydrophobicContact CD1-CB 3.5Å; L327-N364 VanDerWaalsContact CD1-CB 3.5Å; L327-N364 WeakPolarHBondContact CD1-OD1 3.15Å; L327-N364 HydrophobicContact CG-CB 4.18Å; L327-L367 HydrophobicContact CD1-CB 4.46Å; L327-L367 HydrophobicContact CD1-CD2 4.42Å; L327-A368 HydrophobicContact CD2-CB 3.79Å
328L64.3Low75.7Confident41 Ų4138.4 Ų38.422%0.21518%0.182CC..Hα-helixtrans-59-34.9-179.1-174.767.8000111.9A227 L230 L288 S324 Y325A227-L328 HydrophobicContact CB-CD1 3.72Å; L230-L328 HydrophobicContact CB-CD1 4.16Å; L230-L328 HydrophobicContact CD1-CB 4.16Å; L230-L328 HydrophobicContact CD1-CD1 4.09Å; L288-L328 HydrophobicContact CD1-CD2 4.29Å; S324-L328 PolarHBondContact O-N 2.88Å; Y325-L328 WeakPolarHBondContact O-CA 3.44Å; Y325-L328 WeakPolarHBondContact O-CB 3.37Å; Y325-L328 PolarHBondContact O-N 3.26Å
329F69Low76.6Confident89 Ų8939.4 Ų39.439%0.3919%0.185SC..THydrogen-bonded Turntrans-97.74.9-179.1-70.4-89.1000114.1F285 Y325 A326 L327 D331F285-F329 HydrophobicContact CB-CZ 4.46Å; F285-F329 AromaticContact CD1-CE1 3.9Å; F285-F329 HydrophobicContact CD1-CE1 3.9Å; F285-F329 AromaticContact CD1-CZ 3.47Å; F285-F329 HydrophobicContact CD1-CZ 3.47Å; F285-F329 VanDerWaalsContact CD1-CZ 3.47Å; F285-F329 HydrophobicContact CE1-CE1 4.22Å; F285-F329 AromaticContact CE1-CZ 3.96Å; F285-F329 HydrophobicContact CE1-CZ 3.96Å; F285-F329 HydrophobicContact CG-CE1 4.31Å; F285-F329 HydrophobicContact CG-CZ 4.18Å; Y325-F329 AromaticContact CD1-CD2 3.97Å; Y325-F329 HydrophobicContact CD1-CD2 3.97Å; Y325-F329 HydrophobicContact CD1-CE2 4.42Å; Y325-F329 AromaticContact CD2-CD2 3.77Å; Y325-F329 HydrophobicContact CD2-CD2 3.77Å; Y325-F329 AromaticContact CD2-CE2 3.42Å; Y325-F329 HydrophobicContact CD2-CE2 3.42Å; Y325-F329 VanDerWaalsContact CD2-CE2 3.42Å; Y325-F329 HydrophobicContact CD2-CZ 4.47Å; Y325-F329 AromaticContact CE1-CD2 3.68Å; Y325-F329 HydrophobicContact CE1-CD2 3.68Å; Y325-F329 HydrophobicContact CE1-CE2 4.05Å; Y325-F329 HydrophobicContact CE1-CG 4.3Å; Y325-F329 AromaticContact CE2-CD2 3.49Å; Y325-F329 HydrophobicContact CE2-CD2 3.49Å; Y325-F329 VanDerWaalsContact CE2-CD2 3.49Å; Y325-F329 AromaticContact CE2-CE2 2.96Å; Y325-F329 HydrophobicContact CE2-CE2 2.96Å; Y325-F329 AromaticContact CE2-CZ 3.66Å; Y325-F329 HydrophobicContact CE2-CZ 3.66Å; Y325-F329 HydrophobicContact CG-CD2 4Å; Y325-F329 HydrophobicContact CG-CE2 4.14Å; Y325-F329 AromaticContact CZ-CD2 3.42Å; Y325-F329 VanDerWaalsContact CZ-CD2 3.42Å; Y325-F329 AromaticContact CZ-CE2 3.31Å; Y325-F329 AromaticContact CZ-CZ 3.87Å; Y325-F329 WeakPolarHBondContact O-CD2 3.04Å; Y325-F329 PolarHBondContact O-N 3.26Å; Y325-F329 VanDerWaalsContact O-N 3.12Å; A326-F329 PolarHBondContact O-N 3.05Å; L327-F329 PolarHBondContact O-N 2.89Å; F329-D331 VanDerWaalsContact C-N 3.3Å; F329-D331 PolarHBondContact O-N 2.9Å
330G68.6Low77Confident34 Ų3441 Ų4135%0.35120%0.196SC..THydrogen-bonded Turntrans75.312.1178.800000115.1A326 L327 Y332A326-G330 PolarHBondContact O-N 2.88Å; A326-G330 VanDerWaalsContact O-N 3.11Å; L327-G330 PolarHBondContact O-N 3.47Å; L327-G330 VanDerWaalsContact O-N 3.17Å; G330-Y332 PolarHBondContact O-N 3.47Å
331D77.8Confident77.4Confident80 Ų8043.1 Ų43.143%0.42821%0.207SC..  trans-79.567.7171.3-169.4-7.3000110.8A326 F329 R333 K334 A335A326-D331 HydrophobicContact CB-CB 4.24Å; A326-D331 WeakPolarHBondContact CB-O 3.36Å; A326-D331 PolarHBondContact O-N 2.83Å; F329-D331 VanDerWaalsContact C-N 3.3Å; F329-D331 PolarHBondContact O-N 2.9Å; D331-R333 PolarHBondContact O-N 3.12Å; D331-R333 PolarHBondContact OD1-N 3.03Å; D331-K334 HydrophobicContact CB-CB 4.24Å; D331-K334 PolarHBondContact O-N 3.15Å; D331-K334 WeakPolarHBondContact OD1-CB 3.27Å; D331-K334 PolarHBondContact OD1-N 3.28Å; D331-K334 VanDerWaalsContact OD2-CB 3.28Å; D331-K334 WeakPolarHBondContact OD2-CB 3.49Å; D331-A335 PolarHBondContact O-N 3.17Å
332Y81.6Confident78.1Confident68 Ų6843 Ų4327%0.26721%0.206SC..Hα-helixtrans-62-26.4-180-55.7-41.9000112.7L327 G330 K336 A368 L371 Q372L327-Y332 HydrophobicContact CD2-CD1 3.86Å; L327-Y332 HydrophobicContact CD2-CE1 4.12Å; G330-Y332 PolarHBondContact O-N 3.47Å; Y332-K336 PolarHBondContact O-N 3.15Å; Y332-A368 HydrophobicContact CD1-CB 4.19Å; Y332-A368 HydrophobicContact CG-CB 4.46Å; Y332-L371 HydrophobicContact CE1-CB 4.14Å; Y332-L371 HydrophobicContact CE1-CD1 3.64Å; Y332-L371 HydrophobicContact CE2-CB 4.2Å; Y332-Q372 HydrophobicContact CD2-CG 3.7Å; Y332-Q372 HydrophobicContact CG-CG 4.05Å
333R85.9Confident78.5Confident181 Ų18145.7 Ų45.768%0.68322%0.218SC*.Hα-helixtrans-66.1-47.3177-176.7179.3178.9174.81.7110.5D331 A335 K336 D337D331-R333 PolarHBondContact O-N 3.12Å; D331-R333 PolarHBondContact OD1-N 3.03Å; R333-A335 PolarHBondContact O-N 2.92Å; R333-K336 WeakPolarHBondContact O-CB 3.29Å; R333-K336 PolarHBondContact O-N 2.88Å; R333-D337 IonicContact NE-OD2 2.81Å; R333-D337 VanDerWaalsContact O-CG 3.32Å; R333-D337 PolarHBondContact O-N 3.46Å
334K83.3Confident78.6Confident61 Ų6154 Ų5427%0.26525%0.25SC..Hα-helixtrans-61-43.7177.5-177.274167.7-154.60112.4E296 A326 D331 K336 D337 L338E296-K334 WeakPolarHBondContact OE1-CE 3.32Å; E296-K334 IonicContact OE1-NZ 2.71Å; E296-K334 PolarHBondContact OE1-NZ 3.5Å; A326-K334 HydrophobicContact CB-CB 3.89Å; A326-K334 HydrophobicContact CB-CG 3.94Å; D331-K334 HydrophobicContact CB-CB 4.24Å; D331-K334 PolarHBondContact O-N 3.15Å; D331-K334 WeakPolarHBondContact OD1-CB 3.27Å; D331-K334 PolarHBondContact OD1-N 3.28Å; D331-K334 VanDerWaalsContact OD2-CB 3.28Å; D331-K334 WeakPolarHBondContact OD2-CB 3.49Å; K334-K336 VanDerWaalsContact C-N 3.25Å; K334-K336 PolarHBondContact O-N 3.01Å; K334-D337 PolarHBondContact O-N 2.94Å; K334-L338 HydrophobicContact CG-CD1 4.12Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.32Å; K334-L338 PolarHBondContact O-N 2.86Å
335A79.8Confident78.8Confident0 Ų055.6 Ų55.60%026%0.257CS..Hα-helixtrans-58.4-38.8176.100000112.1A326 L327 D331 R333 W339 A368A326-A335 HydrophobicContact CB-CB 4.37Å; L327-A335 HydrophobicContact CD2-CB 4.42Å; L327-A335 HydrophobicContact CG-CB 4.41Å; D331-A335 PolarHBondContact O-N 3.17Å; R333-A335 PolarHBondContact O-N 2.92Å; A335-W339 PolarHBondContact O-N 3.38Å; A335-A368 HydrophobicContact CB-CB 4.1Å
336K84.3Confident79Confident88 Ų8858.5 Ų58.538%0.38327%0.268SS..Hα-helixtrans-68.1-44.1174.3171.2173.2-178.1-176.80113.3Y332 R333 K334 L338 W339 T340 Y365Y332-K336 PolarHBondContact O-N 3.15Å; R333-K336 WeakPolarHBondContact O-CB 3.29Å; R333-K336 PolarHBondContact O-N 2.88Å; K334-K336 VanDerWaalsContact C-N 3.25Å; K334-K336 PolarHBondContact O-N 3.01Å; K336-L338 VanDerWaalsContact C-N 3.35Å; K336-W339 PolarHBondContact O-N 3.12Å; K336-T340 WeakPolarHBondContact O-CB 3.44Å; K336-T340 PolarHBondContact O-N 2.81Å; K336-T340 PolarHBondContact O-OG1 3.23Å; K336-Y365 HydrophobicContact CB-CD2 3.99Å; K336-Y365 HydrophobicContact CB-CE2 4.13Å; K336-Y365 HydrophobicContact CD-CE2 4.31Å; K336-Y365 HydrophobicContact CG-CD2 4.17Å; K336-Y365 HydrophobicContact CG-CE2 3.81Å
337D89.1Confident78.5Confident82 Ų8264.1 Ų64.144%0.43931%0.306SS..Hα-helixtrans-63.6-42.4-179.6-69.8-17.6000110.9R333 K334 T340 D341R333-D337 IonicContact NE-OD2 2.81Å; R333-D337 VanDerWaalsContact O-CG 3.32Å; R333-D337 PolarHBondContact O-N 3.46Å; K334-D337 PolarHBondContact O-N 2.94Å; D337-T340 PolarHBondContact O-N 3.1Å; D337-D341 WeakPolarHBondContact O-CB 3.47Å; D337-D341 PolarHBondContact O-N 3.42Å
338L86Confident78.5Confident16 Ų1670.8 Ų70.88%0.08434%0.34CS..Hα-helixtrans-63.2-43.1177.6-69.4171.7000112.7N319 L322 K334 K336 D341 L342 L361N319-L338 HydrophobicContact CB-CD2 4.29Å; L322-L338 HydrophobicContact CB-CD1 3.78Å; K334-L338 HydrophobicContact CG-CD1 4.12Å; K334-L338 HydrophobicContact CG-CG 4.48Å; K334-L338 VanDerWaalsContact O-CG 3.3Å; K334-L338 WeakPolarHBondContact O-CG 3.32Å; K334-L338 PolarHBondContact O-N 2.86Å; K336-L338 VanDerWaalsContact C-N 3.35Å; L338-D341 PolarHBondContact O-N 3.47Å; L338-L342 PolarHBondContact O-N 3.42Å; L338-L342 VanDerWaalsContact O-N 3.11Å; L338-L361 HydrophobicContact CB-CD2 4.27Å
339W87.3Confident78.6Confident20 Ų2070.9 Ų70.98%0.07634%0.344CS..Hα-helixtrans-67.6-39.5175.3175.6-114.3000112.6A335 K336 D341 L342 Q343 F353 S358 L361 G362 Y365 L385A335-W339 PolarHBondContact O-N 3.38Å; K336-W339 PolarHBondContact O-N 3.12Å; W339-D341 VanDerWaalsContact C-N 3.34Å; W339-L342 HydrophobicContact CE3-CD2 4.07Å; W339-L342 HydrophobicContact CZ3-CD2 3.93Å; W339-L342 PolarHBondContact O-N 3.2Å; W339-Q343 HydrophobicContact CD2-CG 4.14Å; W339-Q343 HydrophobicContact CG-CG 4.49Å; W339-Q343 VanDerWaalsContact CH2-NE2 3.33Å; W339-Q343 HydrophobicContact CZ2-CG 4.23Å; W339-Q343 WeakPolarHBondContact O-CG 3.43Å; W339-Q343 PolarHBondContact O-N 3.49Å; W339-F353 AromaticContact CH2-CE1 3.51Å; W339-F353 HydrophobicContact CH2-CE1 3.51Å; W339-F353 HydrophobicContact CH2-CZ 4.04Å; W339-F353 HydrophobicContact CZ2-CE1 4.29Å; W339-F353 AromaticContact CZ3-CE1 3.75Å; W339-F353 HydrophobicContact CZ3-CE1 3.75Å; W339-F353 AromaticContact CZ3-CZ 3.95Å; W339-F353 HydrophobicContact CZ3-CZ 3.95Å; W339-S358 WeakPolarHBondContact CZ3-O 3.46Å; W339-L361 HydrophobicContact CE3-CB 3.82Å; W339-L361 HydrophobicContact CZ3-CB 4.14Å; W339-G362 VanDerWaalsContact CH2-CA 3.48Å; W339-G362 VanDerWaalsContact CZ3-CA 3.45Å; W339-Y365 HydrophobicContact CB-CD2 4.27Å; W339-Y365 HydrophobicContact CB-CG 3.91Å; W339-Y365 AromaticContact CD1-CD1 3.07Å; W339-Y365 AromaticContact CD1-CD2 3.81Å; W339-Y365 AromaticContact CD1-CE1 3.44Å; W339-Y365 VanDerWaalsContact CD1-CE1 3.44Å; W339-Y365 AromaticContact CD1-CG 3.23Å; W339-Y365 AromaticContact CD1-CZ 3.94Å; W339-Y365 HydrophobicContact CD2-CD1 4.49Å; W339-Y365 AromaticContact CG-CD1 3.85Å; W339-Y365 HydrophobicContact CG-CD1 3.85Å; W339-Y365 HydrophobicContact CG-CD2 4.32Å; W339-Y365 AromaticContact CG-CG 3.66Å; W339-Y365 HydrophobicContact CG-CG 3.66Å; W339-Y365 AromaticContact NE1-CD1 3.24Å; W339-Y365 AromaticContact NE1-CE1 3.5Å; W339-Y365 AromaticContact NE1-CG 3.89Å; W339-L385 HydrophobicContact CH2-CD2 4.25Å; W339-L385 HydrophobicContact CZ2-CD2 4.4Å
340T85.8Confident78.5Confident42 Ų4271.6 Ų71.626%0.25835%0.352SS..Hα-helixtrans-65.1-39.1177.5-55.60000111.2K336 D337 Q343 R344K336-T340 WeakPolarHBondContact O-CB 3.44Å; K336-T340 PolarHBondContact O-N 2.81Å; K336-T340 PolarHBondContact O-OG1 3.23Å; D337-T340 PolarHBondContact O-N 3.1Å; T340-Q343 PolarHBondContact O-N 3Å; T340-R344 WeakPolarHBondContact O-CG 3.4Å; T340-R344 PolarHBondContact O-N 2.63Å
341D84.5Confident78.3Confident45 Ų4575.1 Ų75.124%0.24136%0.359CS..Hα-helixtrans-61.1-47.4173.8-167.338.1000110.7K303 D337 L338 W339 Q343 R344 Q345K303-D341 IonicContact NZ-OD2 3.54Å; K303-D341 PolarHBondContact NZ-OD2 3.39Å; D337-D341 WeakPolarHBondContact O-CB 3.47Å; D337-D341 PolarHBondContact O-N 3.42Å; L338-D341 PolarHBondContact O-N 3.47Å; W339-D341 VanDerWaalsContact C-N 3.34Å; D341-Q343 PolarHBondContact O-N 2.78Å; D341-R344 WeakPolarHBondContact O-CB 3.22Å; D341-R344 PolarHBondContact O-N 2.98Å; D341-Q345 VanDerWaalsContact CG-NE2 3.32Å; D341-Q345 WeakPolarHBondContact O-CG 3.23Å; D341-Q345 PolarHBondContact O-N 3.47Å; D341-Q345 PolarHBondContact OD1-NE2 3.16Å; D341-Q345 PolarHBondContact OD2-NE2 3.02Å
342L82.3Confident77.5Confident0 Ų072.1 Ų72.10%034%0.343CS..Hα-helixtrans-60.5-47.5176.7-172.968.9000111.2T316 L338 W339 R344 Q345 R346 F353 L361T316-L342 HydrophobicContact CG2-CD1 4.09Å; T316-L342 HydrophobicContact CG2-CD2 4.21Å; L338-L342 PolarHBondContact O-N 3.42Å; L338-L342 VanDerWaalsContact O-N 3.11Å; W339-L342 HydrophobicContact CE3-CD2 4.07Å; W339-L342 HydrophobicContact CZ3-CD2 3.93Å; W339-L342 PolarHBondContact O-N 3.2Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 2.75Å; L342-Q345 CarbonylContact O-C 3.58Å; L342-Q345 WeakPolarHBondContact O-CA 3.31Å; L342-Q345 WeakPolarHBondContact O-CB 3.47Å; L342-Q345 PolarHBondContact O-N 3.16Å; L342-R346 PolarHBondContact O-N 2.92Å; L342-F353 HydrophobicContact CB-CE2 4.44Å; L342-F353 HydrophobicContact CD1-CE2 4.33Å; L342-F353 HydrophobicContact CD2-CE1 4.47Å; L342-F353 HydrophobicContact CD2-CE2 3.96Å; L342-F353 HydrophobicContact CD2-CZ 3.89Å; L342-F353 HydrophobicContact CG-CD2 4.3Å; L342-F353 HydrophobicContact CG-CE2 3.54Å; L342-F353 HydrophobicContact CG-CZ 3.84Å; L342-F353 WeakPolarHBondContact O-CE2 3.47Å; L342-L361 HydrophobicContact CD2-CB 4.44Å; L342-L361 HydrophobicContact CD2-CD1 3.67Å
343Q82.3Confident76.6Confident63 Ų6369.8 Ų69.829%0.29433%0.334SS..Hα-helixtrans-57.7-35.8176.7-75-70.7-24.500113W339 T340 D341 R346 F353W339-Q343 HydrophobicContact CD2-CG 4.14Å; W339-Q343 HydrophobicContact CG-CG 4.49Å; W339-Q343 VanDerWaalsContact CH2-NE2 3.33Å; W339-Q343 HydrophobicContact CZ2-CG 4.23Å; W339-Q343 WeakPolarHBondContact O-CG 3.43Å; W339-Q343 PolarHBondContact O-N 3.49Å; T340-Q343 PolarHBondContact O-N 3Å; D341-Q343 PolarHBondContact O-N 2.78Å; Q343-R346 WeakPolarHBondContact O-CB 3.39Å; Q343-R346 PolarHBondContact O-N 2.88Å; Q343-F353 VanDerWaalsContact CD-CZ 3.42Å; Q343-F353 HydrophobicContact CG-CZ 3.98Å
344R80.7Confident75.5Confident175 Ų17567.9 Ų67.966%0.6633%0.333SS*.Hα-helixtrans-67.7-39.1173.2-71.7172.3-176.8171.61.8111.9T340 D341 L342 R346 C347T340-R344 WeakPolarHBondContact O-CG 3.4Å; T340-R344 PolarHBondContact O-N 2.63Å; D341-R344 WeakPolarHBondContact O-CB 3.22Å; D341-R344 PolarHBondContact O-N 2.98Å; L342-R344 VanDerWaalsContact C-N 3.26Å; L342-R344 PolarHBondContact O-N 2.75Å; R344-R346 VanDerWaalsContact C-N 3.27Å; R344-R346 PolarHBondContact O-N 3.15Å; R344-C347 WeakPolarHBondContact O-CB 3.45Å; R344-C347 PolarHBondContact O-N 3.36Å
345Q74.8Confident75Confident34 Ų3465.8 Ų65.816%0.15933%0.329CS..Hα-helixtrans-69.2-25.8176.7-67.316919.400112.4D341 L342 C347 I348 S349 L352D341-Q345 VanDerWaalsContact CG-NE2 3.32Å; D341-Q345 WeakPolarHBondContact O-CG 3.23Å; D341-Q345 PolarHBondContact O-N 3.47Å; D341-Q345 PolarHBondContact OD1-NE2 3.16Å; D341-Q345 PolarHBondContact OD2-NE2 3.02Å; L342-Q345 CarbonylContact O-C 3.58Å; L342-Q345 WeakPolarHBondContact O-CA 3.31Å; L342-Q345 WeakPolarHBondContact O-CB 3.47Å; L342-Q345 PolarHBondContact O-N 3.16Å; Q345-C347 PolarHBondContact O-N 3.43Å; Q345-I348 WeakPolarHBondContact O-CA 3.44Å; Q345-I348 VanDerWaalsContact O-CB 3.28Å; Q345-I348 WeakPolarHBondContact O-CB 3.43Å; Q345-I348 PolarHBondContact O-N 3.11Å; Q345-S349 PolarHBondContact O-N 2.91Å; Q345-S349 VanDerWaalsContact O-N 3.14Å; Q345-L352 HydrophobicContact CB-CD1 4.06Å
346R72.3Confident74.6Confident99 Ų9967.1 Ų67.137%0.37434%0.335SS..Hα-helixtrans-53.5-39.1171.4-164.2177.9169-179.71.3112.9L342 Q343 R344 I348 S349 D350 F353L342-R346 PolarHBondContact O-N 2.92Å; Q343-R346 WeakPolarHBondContact O-CB 3.39Å; Q343-R346 PolarHBondContact O-N 2.88Å; R344-R346 VanDerWaalsContact C-N 3.27Å; R344-R346 PolarHBondContact O-N 3.15Å; R346-I348 PolarHBondContact O-N 3.5Å; R346-S349 CarbonylContact O-C 3.57Å; R346-S349 PolarHBondContact O-N 3.31Å; R346-D350 IonicContact NE-OD1 2.67Å; R346-D350 PolarHBondContact NE-OD1 2.93Å; R346-F353 HydrophobicContact CB-CD2 3.54Å; R346-F353 HydrophobicContact CB-CE2 3.43Å; R346-F353 VanDerWaalsContact CB-CE2 3.43Å; R346-F353 HydrophobicContact CB-CZ 4.33Å; R346-F353 HydrophobicContact CG-CD2 3.41Å; R346-F353 VanDerWaalsContact CG-CD2 3.41Å; R346-F353 HydrophobicContact CG-CE2 3.76Å; R346-F353 HydrophobicContact CG-CG 3.95Å
347C63.4Low74.2Confident121 Ų12163.7 Ų63.782%0.81832%0.323SS*.THydrogen-bonded Turntrans-61.3-13.8177.5-60.90000112.9R344 Q345R344-C347 WeakPolarHBondContact O-CB 3.45Å; R344-C347 PolarHBondContact O-N 3.36Å; Q345-C347 PolarHBondContact O-N 3.43Å
348I65.5Low73.9Confident147 Ų14759.9 Ų59.975%0.75430%0.302SS*.THydrogen-bonded Turntrans-102.7-36-179.3-50.3174.9000110.6Q345 R346Q345-I348 WeakPolarHBondContact O-CA 3.44Å; Q345-I348 VanDerWaalsContact O-CB 3.28Å; Q345-I348 WeakPolarHBondContact O-CB 3.43Å; Q345-I348 PolarHBondContact O-N 3.11Å; R346-I348 PolarHBondContact O-N 3.5Å
349S67Low73.8Confident43 Ų4359.1 Ų59.130%0.30130%0.298SS..  trans-154.6124.9176.9177.30000112.3Q345 R346 E351Q345-S349 PolarHBondContact O-N 2.91Å; Q345-S349 VanDerWaalsContact O-N 3.14Å; R346-S349 CarbonylContact O-C 3.57Å; R346-S349 PolarHBondContact O-N 3.31Å; S349-E351 VanDerWaalsContact C-N 3.33Å; S349-E351 PolarHBondContact OG-N 2.76Å
350D65.9Low73.5Confident105 Ų10558.4 Ų58.456%0.56130%0.296SS*.G310 helixtrans-71.2-26.8173.8-83.6-37.8000112.4R346 L352 F353R346-D350 IonicContact NE-OD1 2.67Å; R346-D350 PolarHBondContact NE-OD1 2.93Å; D350-L352 PolarHBondContact O-N 3.31Å; D350-L352 VanDerWaalsContact O-N 3.12Å; D350-F353 WeakPolarHBondContact O-CA 3.17Å; D350-F353 WeakPolarHBondContact O-CB 3.33Å; D350-F353 PolarHBondContact O-N 3.31Å
351E65.2Low73.4Confident108 Ų10856.4 Ų56.451%0.50528%0.284SS..G310 helixtrans-61.6-24.2178.7-66-171.9-166.300112.8R313 S349 F353 E354R313-E351 IonicContact CZ-OE2 3.68Å; R313-E351 IonicContact NH2-OE2 2.91Å; R313-E351 PolarHBondContact NH2-OE2 2.89Å; S349-E351 VanDerWaalsContact C-N 3.33Å; S349-E351 PolarHBondContact OG-N 2.76Å; E351-F353 PolarHBondContact O-N 2.86Å; E351-E354 PolarHBondContact O-N 2.77Å
352L59.9Low73.6Confident17 Ų1754.3 Ų54.39%0.08927%0.272CS..G310 helixtrans-66.7-22.6173.9-78.5173.5000113P312 Q345 D350 S358P312-L352 HydrophobicContact CB-CD1 4.13Å; P312-L352 HydrophobicContact CB-CD2 3.24Å; P312-L352 HydrophobicContact CB-CG 4.09Å; P312-L352 WeakPolarHBondContact O-CD2 3.3Å; Q345-L352 HydrophobicContact CB-CD1 4.06Å; D350-L352 PolarHBondContact O-N 3.31Å; D350-L352 VanDerWaalsContact O-N 3.12Å; L352-S358 PolarHBondContact O-OG 3.49Å
353F62.6Low73.8Confident18 Ų1854.4 Ų54.48%0.07927%0.273CS..G310 helixtrans-91.2-6.6-180-101.5-97.5000113.9W339 L342 Q343 R346 D350 E351 S358 F389W339-F353 AromaticContact CH2-CE1 3.51Å; W339-F353 HydrophobicContact CH2-CE1 3.51Å; W339-F353 HydrophobicContact CH2-CZ 4.04Å; W339-F353 HydrophobicContact CZ2-CE1 4.29Å; W339-F353 AromaticContact CZ3-CE1 3.75Å; W339-F353 HydrophobicContact CZ3-CE1 3.75Å; W339-F353 AromaticContact CZ3-CZ 3.95Å; W339-F353 HydrophobicContact CZ3-CZ 3.95Å; L342-F353 HydrophobicContact CB-CE2 4.44Å; L342-F353 HydrophobicContact CD1-CE2 4.33Å; L342-F353 HydrophobicContact CD2-CE1 4.47Å; L342-F353 HydrophobicContact CD2-CE2 3.96Å; L342-F353 HydrophobicContact CD2-CZ 3.89Å; L342-F353 HydrophobicContact CG-CD2 4.3Å; L342-F353 HydrophobicContact CG-CE2 3.54Å; L342-F353 HydrophobicContact CG-CZ 3.84Å; L342-F353 WeakPolarHBondContact O-CE2 3.47Å; Q343-F353 VanDerWaalsContact CD-CZ 3.42Å; Q343-F353 HydrophobicContact CG-CZ 3.98Å; R346-F353 HydrophobicContact CB-CD2 3.54Å; R346-F353 HydrophobicContact CB-CE2 3.43Å; R346-F353 VanDerWaalsContact CB-CE2 3.43Å; R346-F353 HydrophobicContact CB-CZ 4.33Å; R346-F353 HydrophobicContact CG-CD2 3.41Å; R346-F353 VanDerWaalsContact CG-CD2 3.41Å; R346-F353 HydrophobicContact CG-CE2 3.76Å; R346-F353 HydrophobicContact CG-CG 3.95Å; D350-F353 WeakPolarHBondContact O-CA 3.17Å; D350-F353 WeakPolarHBondContact O-CB 3.33Å; D350-F353 PolarHBondContact O-N 3.31Å; E351-F353 PolarHBondContact O-N 2.86Å; F353-S358 WeakPolarHBondContact O-CB 3.12Å; F353-F389 WeakPolarHBondContact O-CE1 3.29Å
354E63.5Low73.9Confident142 Ų14251.8 Ų51.866%0.66426%0.261SS*.  trans-82.1130.3178.7-63.5-177.6174.600110.5E351E351-E354 PolarHBondContact O-N 2.77Å
355G71.9Confident74.3Confident17 Ų1745.4 Ų45.418%0.17524%0.237CC..SBendtrans105.6-178.7168.600000117.3S357 S358 C359G355-S357 PolarHBondContact O-N 3.18Å; G355-S358 PolarHBondContact O-N 3.27Å; G355-C359 PolarHBondContact O-N 3.25Å
356E71.7Confident74.8Confident27 Ų2743.8 Ų43.813%0.12623%0.23CC..Hα-helixtrans-61.3-40.8-166.9-167.4-178152.600113.8H237 R240 S358 C359 L360 F394 H396 H397H237-E356 IonicContact CE1-OE1 3.92Å; H237-E356 IonicContact NE2-OE1 3.28Å; R240-E356 IonicContact CZ-OE2 2.66Å; R240-E356 VanDerWaalsContact CZ-OE2 3.23Å; R240-E356 IonicContact NH1-OE1 3.43Å; R240-E356 PolarHBondContact NH1-OE1 3.08Å; R240-E356 IonicContact NH1-OE2 3.95Å; R240-E356 PolarHBondContact NH1-OE2 3.43Å; R240-E356 IonicContact NH2-OE1 3.77Å; R240-E356 IonicContact NH2-OE2 3.9Å; R240-E356 PolarHBondContact NH2-OE2 3.47Å; E356-S358 PolarHBondContact O-N 2.99Å; E356-C359 PolarHBondContact O-N 3.43Å; E356-L360 PolarHBondContact O-N 3.44Å; E356-F394 HydrophobicContact CB-CD1 3.66Å; E356-F394 HydrophobicContact CB-CE1 4.04Å; E356-F394 HydrophobicContact CG-CD1 4.28Å; E356-H396 IonicContact OE1-CE1 3.93Å; E356-H396 IonicContact OE1-NE2 3.44Å; E356-H396 PolarHBondContact OE1-NE2 3.37Å; E356-H397 VanDerWaalsContact CG-CD2 3.46Å; E356-H397 WeakPolarHBondContact CG-CD2 3.32Å; E356-H397 WeakPolarHBondContact CG-NE2 3.41Å; E356-H397 IonicContact OE1-CE1 3.52Å; E356-H397 IonicContact OE1-NE2 3.56Å; E356-H397 PolarHBondContact OE1-NE2 3.15Å
357S76.2Confident75.3Confident17 Ų1739.4 Ų39.412%0.11921%0.214CC..Hα-helixtrans-65.8-38.2-176.3-58.60000112.8V317 G355 L360 L361V317-S357 WeakPolarHBondContact CG2-OG 3.47Å; G355-S357 PolarHBondContact O-N 3.18Å; S357-L360 PolarHBondContact O-N 3.02Å; S357-L361 WeakPolarHBondContact O-CB 3.32Å; S357-L361 PolarHBondContact O-N 3.42Å
358S82.7Confident76.1Confident1 Ų133.6 Ų33.61%0.00718%0.175CC..Hα-helixtrans-69.6-39.3177.7-63.40000111T316 W339 L352 F353 G355 E356 L361 G362T316-S358 WeakPolarHBondContact CG2-OG 3.49Å; W339-S358 WeakPolarHBondContact CZ3-O 3.46Å; L352-S358 PolarHBondContact O-OG 3.49Å; F353-S358 WeakPolarHBondContact O-CB 3.12Å; G355-S358 PolarHBondContact O-N 3.27Å; E356-S358 PolarHBondContact O-N 2.99Å; S358-L361 PolarHBondContact O-N 2.91Å; S358-G362 PolarHBondContact O-N 3.25Å
359C83.6Confident76.7Confident0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-62-43.5172.7-166.90000111.8G355 E356 G362 S363 F389 F394 H397G355-C359 PolarHBondContact O-N 3.25Å; E356-C359 PolarHBondContact O-N 3.43Å; C359-G362 PolarHBondContact O-N 2.71Å; C359-S363 VanDerWaalsContact O-CB 3.22Å; C359-S363 WeakPolarHBondContact O-CB 3.22Å; C359-S363 PolarHBondContact O-N 3.47Å; C359-S363 PolarHBondContact O-OG 2.88Å; C359-F389 HydrophobicContact CB-CB 4.43Å; C359-F389 HydrophobicContact CB-CD1 3.74Å; C359-F389 HydrophobicContact CB-CD2 4Å; C359-F389 HydrophobicContact CB-CE1 3.91Å; C359-F389 HydrophobicContact CB-CE2 4.16Å; C359-F389 HydrophobicContact CB-CG 3.79Å; C359-F389 HydrophobicContact CB-CZ 4.12Å; C359-F394 HydrophobicContact CB-CB 4.3Å; C359-F394 PolarHBondContact SG-O 2.74Å; C359-H397 HydrophobicContact CB-CB 4.41Å
360L80.9Confident77.3Confident6 Ų625.6 Ų25.63%0.03113%0.129CC..Hα-helixtrans-64.4-45176.4177.957.9000112H237 A320 E356 S357 G362 S363 N364H237-L360 WeakPolarHBondContact CE1-CD2 3.37Å; H237-L360 WeakPolarHBondContact NE2-CD2 3.43Å; A320-L360 HydrophobicContact CB-CD2 4.23Å; E356-L360 PolarHBondContact O-N 3.44Å; S357-L360 PolarHBondContact O-N 3.02Å; L360-G362 VanDerWaalsContact C-N 3.35Å; L360-G362 PolarHBondContact O-N 3.31Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.5Å; L360-N364 WeakPolarHBondContact CD1-OD1 3.46Å; L360-N364 WeakPolarHBondContact O-CB 3.33Å; L360-N364 VanDerWaalsContact O-CG 3.23Å; L360-N364 PolarHBondContact O-N 2.62Å
361L84.5Confident77.7Confident0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-56.9-48.5176.2-87.8167.2000112.1T316 N319 A320 L338 W339 L342 S357 S358 N364 Y365T316-L361 HydrophobicContact CG2-CD1 3.89Å; N319-L361 HydrophobicContact CB-CD1 4.02Å; N319-L361 HydrophobicContact CB-CD2 4.21Å; N319-L361 WeakPolarHBondContact O-CD2 2.89Å; A320-L361 HydrophobicContact CB-CD1 4.25Å; A320-L361 HydrophobicContact CB-CD2 4.5Å; A320-L361 HydrophobicContact CB-CG 3.84Å; L338-L361 HydrophobicContact CB-CD2 4.27Å; W339-L361 HydrophobicContact CE3-CB 3.82Å; W339-L361 HydrophobicContact CZ3-CB 4.14Å; L342-L361 HydrophobicContact CD2-CB 4.44Å; L342-L361 HydrophobicContact CD2-CD1 3.67Å; S357-L361 WeakPolarHBondContact O-CB 3.32Å; S357-L361 PolarHBondContact O-N 3.42Å; S358-L361 PolarHBondContact O-N 2.91Å; L361-N364 PolarHBondContact O-N 2.94Å; L361-Y365 PolarHBondContact O-N 3.38Å
362G87.8Confident78.4Confident0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-65.7-39.3178.200000112.6W339 S358 C359 L360 Y365 T366W339-G362 VanDerWaalsContact CH2-CA 3.48Å; W339-G362 VanDerWaalsContact CZ3-CA 3.45Å; S358-G362 PolarHBondContact O-N 3.25Å; C359-G362 PolarHBondContact O-N 2.71Å; L360-G362 VanDerWaalsContact C-N 3.35Å; L360-G362 PolarHBondContact O-N 3.31Å; G362-Y365 PolarHBondContact O-N 2.98Å; G362-T366 WeakPolarHBondContact O-CB 3.22Å; G362-T366 PolarHBondContact O-N 3.25Å; G362-T366 PolarHBondContact O-OG1 3.39Å
363S87.4Confident79.2Confident3 Ų323.9 Ų23.92%0.02113%0.132CC..Hα-helixtrans-61.1-44.7174.2-64.70000111.2C359 L360 T366 L367 H397 W398 C401C359-S363 VanDerWaalsContact O-CB 3.22Å; C359-S363 WeakPolarHBondContact O-CB 3.22Å; C359-S363 PolarHBondContact O-N 3.47Å; C359-S363 PolarHBondContact O-OG 2.88Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.5Å; S363-T366 PolarHBondContact O-N 2.93Å; S363-L367 WeakPolarHBondContact O-CB 3.45Å; S363-L367 PolarHBondContact O-N 2.98Å; S363-H397 PolarHBondContact OG-O 3.3Å; S363-W398 WeakPolarHBondContact OG-CA 3.26Å; S363-W398 PolarHBondContact OG-N 3.09Å; S363-C401 PolarHBondContact O-SG 2.89Å
364N84.5Confident80.2Confident7 Ų727.9 Ų27.94%0.03715%0.151CC..Hα-helixtrans-66.1-42179-72.7-11.5000112.2S323 S324 L327 L360 L361 L367 A368S323-N364 WeakPolarHBondContact OG-CB 3.26Å; S323-N364 PolarHBondContact OG-ND2 3.37Å; S324-N364 WeakPolarHBondContact CA-ND2 3.31Å; S324-N364 PolarHBondContact N-ND2 3.08Å; S324-N364 VanDerWaalsContact N-ND2 3.19Å; S324-N364 PolarHBondContact OG-ND2 3.42Å; L327-N364 HydrophobicContact CD1-CB 3.5Å; L327-N364 VanDerWaalsContact CD1-CB 3.5Å; L327-N364 WeakPolarHBondContact CD1-OD1 3.15Å; L327-N364 HydrophobicContact CG-CB 4.18Å; L360-N364 WeakPolarHBondContact CD1-OD1 3.46Å; L360-N364 WeakPolarHBondContact O-CB 3.33Å; L360-N364 VanDerWaalsContact O-CG 3.23Å; L360-N364 PolarHBondContact O-N 2.62Å; L361-N364 PolarHBondContact O-N 2.94Å; N364-L367 PolarHBondContact O-N 3.31Å; N364-A368 WeakPolarHBondContact O-CB 3.4Å; N364-A368 PolarHBondContact O-N 2.86Å
365Y88.5Confident81.1Confident41 Ų4125.3 Ų25.316%0.16114%0.141CC..Hα-helixtrans-60.2-46.2172.6163.3-110.8000112.6K336 W339 L361 G362 L367 A368 M369K336-Y365 HydrophobicContact CB-CD2 3.99Å; K336-Y365 HydrophobicContact CB-CE2 4.13Å; K336-Y365 HydrophobicContact CD-CE2 4.31Å; K336-Y365 HydrophobicContact CG-CD2 4.17Å; K336-Y365 HydrophobicContact CG-CE2 3.81Å; W339-Y365 HydrophobicContact CB-CD2 4.27Å; W339-Y365 HydrophobicContact CB-CG 3.91Å; W339-Y365 AromaticContact CD1-CD1 3.07Å; W339-Y365 AromaticContact CD1-CD2 3.81Å; W339-Y365 AromaticContact CD1-CE1 3.44Å; W339-Y365 VanDerWaalsContact CD1-CE1 3.44Å; W339-Y365 AromaticContact CD1-CG 3.23Å; W339-Y365 AromaticContact CD1-CZ 3.94Å; W339-Y365 HydrophobicContact CD2-CD1 4.49Å; W339-Y365 AromaticContact CG-CD1 3.85Å; W339-Y365 HydrophobicContact CG-CD1 3.85Å; W339-Y365 HydrophobicContact CG-CD2 4.32Å; W339-Y365 AromaticContact CG-CG 3.66Å; W339-Y365 HydrophobicContact CG-CG 3.66Å; W339-Y365 AromaticContact NE1-CD1 3.24Å; W339-Y365 AromaticContact NE1-CE1 3.5Å; W339-Y365 AromaticContact NE1-CG 3.89Å; L361-Y365 PolarHBondContact O-N 3.38Å; G362-Y365 PolarHBondContact O-N 2.98Å; Y365-L367 VanDerWaalsContact C-N 3.26Å; Y365-L367 PolarHBondContact O-N 3.16Å; Y365-A368 WeakPolarHBondContact O-CB 3.3Å; Y365-A368 PolarHBondContact O-N 3.13Å; Y365-M369 HydrophobicContact CD1-CE 3.66Å; Y365-M369 HydrophobicContact CD2-CE 4.43Å; Y365-M369 HydrophobicContact CD2-CG 4.25Å; Y365-M369 HydrophobicContact CE1-CE 3.11Å; Y365-M369 HydrophobicContact CE1-SD 3.84Å; Y365-M369 HydrophobicContact CE2-CE 3.97Å; Y365-M369 HydrophobicContact CE2-CG 3.76Å; Y365-M369 HydrophobicContact CE2-SD 3.76Å; Y365-M369 HydrophobicContact CG-CE 4.34Å; Y365-M369 PolarHBondContact O-N 3.46Å; Y365-M369 PolarHBondContact OH-SD 3.38Å
366T86.6Confident81.9Confident0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-58.5-43.8179-63.20000110.6G362 S363 M369 F370 A378 S381 L382 L385 M405G362-T366 WeakPolarHBondContact O-CB 3.22Å; G362-T366 PolarHBondContact O-N 3.25Å; G362-T366 PolarHBondContact O-OG1 3.39Å; S363-T366 PolarHBondContact O-N 2.93Å; T366-M369 PolarHBondContact O-N 3.44Å; T366-F370 PolarHBondContact O-N 3.34Å; T366-F370 VanDerWaalsContact O-N 3.07Å; T366-A378 VanDerWaalsContact CG2-O 3.29Å; T366-A378 WeakPolarHBondContact CG2-O 3.45Å; T366-S381 PolarHBondContact OG1-OG 3.37Å; T366-L382 HydrophobicContact CG2-CB 3.92Å; T366-L385 WeakPolarHBondContact OG1-CD1 3.46Å; T366-M405 HydrophobicContact CG2-SD 3.9Å
367L81.2Confident82.7Confident7 Ų733 Ų334%0.03718%0.178CC..Hα-helixtrans-69-39.7177.2-168.750.2000112.5Y226 L327 S363 N364 Y365 M369 F370 L371 M405Y226-L367 HydrophobicContact CE2-CD2 3.85Å; Y226-L367 WeakPolarHBondContact OH-CD2 3.33Å; L327-L367 HydrophobicContact CD1-CB 4.46Å; L327-L367 HydrophobicContact CD1-CD2 4.42Å; S363-L367 WeakPolarHBondContact O-CB 3.45Å; S363-L367 PolarHBondContact O-N 2.98Å; N364-L367 PolarHBondContact O-N 3.31Å; Y365-L367 VanDerWaalsContact C-N 3.26Å; Y365-L367 PolarHBondContact O-N 3.16Å; L367-M369 PolarHBondContact O-N 3.36Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.11Å; L367-L371 HydrophobicContact CD1-CD1 4.45Å; L367-L371 HydrophobicContact CD1-CG 4.32Å; L367-L371 HydrophobicContact CG-CD1 4.17Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.2Å; L367-L371 PolarHBondContact O-N 3.32Å; L367-M405 HydrophobicContact CD1-CG 4Å
368A80.3Confident83Confident0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-57.6-47.3174.200000111.6L327 Y332 A335 N364 Y365 F370 L371 Q372L327-A368 HydrophobicContact CD2-CB 3.79Å; Y332-A368 HydrophobicContact CD1-CB 4.19Å; Y332-A368 HydrophobicContact CG-CB 4.46Å; A335-A368 HydrophobicContact CB-CB 4.1Å; N364-A368 WeakPolarHBondContact O-CB 3.4Å; N364-A368 PolarHBondContact O-N 2.86Å; Y365-A368 WeakPolarHBondContact O-CB 3.3Å; Y365-A368 PolarHBondContact O-N 3.13Å; A368-F370 VanDerWaalsContact C-N 3.32Å; A368-F370 PolarHBondContact O-N 3.32Å; A368-L371 PolarHBondContact O-N 3.03Å; A368-Q372 WeakPolarHBondContact O-CG 3.1Å; A368-Q372 PolarHBondContact O-N 3.03Å
369M79.8Confident83.3Confident10 Ų1038.2 Ų38.25%0.04920%0.198CC..Hα-helixtrans-60.4-42.1175.3-76.8-166.9-6700112.4Y365 T366 L367 Q372 G373 H374 A377 A378 S381Y365-M369 HydrophobicContact CD1-CE 3.66Å; Y365-M369 HydrophobicContact CD2-CE 4.43Å; Y365-M369 HydrophobicContact CD2-CG 4.25Å; Y365-M369 HydrophobicContact CE1-CE 3.11Å; Y365-M369 HydrophobicContact CE1-SD 3.84Å; Y365-M369 HydrophobicContact CE2-CE 3.97Å; Y365-M369 HydrophobicContact CE2-CG 3.76Å; Y365-M369 HydrophobicContact CE2-SD 3.76Å; Y365-M369 HydrophobicContact CG-CE 4.34Å; Y365-M369 PolarHBondContact O-N 3.46Å; Y365-M369 PolarHBondContact OH-SD 3.38Å; T366-M369 PolarHBondContact O-N 3.44Å; L367-M369 PolarHBondContact O-N 3.36Å; M369-Q372 PolarHBondContact O-N 2.87Å; M369-G373 PolarHBondContact O-N 3.28Å; M369-H374 HydrophobicContact CB-CB 4.33Å; M369-H374 WeakPolarHBondContact O-CB 3.29Å; M369-H374 PolarHBondContact O-N 3.5Å; M369-A377 HydrophobicContact SD-CB 4Å; M369-A378 HydrophobicContact CB-CB 4.14Å; M369-S381 VanDerWaalsContact CE-CB 3.45Å
370F77.8Confident83.8Confident12 Ų1242.4 Ų42.45%0.05322%0.22CC..Hα-helixtrans-61.4-47.8178.4-178.2-91.1000111.1T366 L367 A368 Q372 G373 I375 A378 M405 T408 S409T366-F370 PolarHBondContact O-N 3.34Å; T366-F370 VanDerWaalsContact O-N 3.07Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.11Å; A368-F370 VanDerWaalsContact C-N 3.32Å; A368-F370 PolarHBondContact O-N 3.32Å; F370-Q372 VanDerWaalsContact C-N 3.27Å; F370-Q372 PolarHBondContact O-N 2.66Å; F370-G373 PolarHBondContact O-N 3.43Å; F370-I375 HydrophobicContact CE2-CG1 4.39Å; F370-I375 HydrophobicContact CE2-CG2 4.35Å; F370-A378 HydrophobicContact CB-CB 3.69Å; F370-A378 HydrophobicContact CD2-CB 4.24Å; F370-A378 HydrophobicContact CG-CB 4.48Å; F370-M405 HydrophobicContact CB-CE 4.38Å; F370-M405 HydrophobicContact CB-CG 4.12Å; F370-M405 HydrophobicContact CD1-CB 4.45Å; F370-M405 HydrophobicContact CD1-CG 4.15Å; F370-M405 HydrophobicContact CD2-CB 4.24Å; F370-M405 HydrophobicContact CD2-CE 3.67Å; F370-M405 HydrophobicContact CD2-CG 4.04Å; F370-M405 HydrophobicContact CE2-CB 4.27Å; F370-M405 HydrophobicContact CE2-CE 4.34Å; F370-M405 HydrophobicContact CG-CB 4.32Å; F370-M405 HydrophobicContact CG-CE 4.21Å; F370-M405 HydrophobicContact CG-CG 3.8Å; F370-M405 HydrophobicContact CZ-CB 4.43Å; F370-M405 WeakPolarHBondContact CZ-O 3.02Å; F370-T408 HydrophobicContact CD1-CG2 4.48Å; F370-T408 HydrophobicContact CE1-CG2 3.64Å; F370-S409 VanDerWaalsContact CZ-OG 3.29Å; F370-S409 WeakPolarHBondContact CZ-OG 3.13Å
371L75.4Confident84.3Confident60 Ų6042.8 Ų42.831%0.31422%0.224SC..Hα-helixtrans-66.1-28179.8-67.3172.8000112.9Y332 L367 A368 G373 T408Y332-L371 HydrophobicContact CE1-CB 4.14Å; Y332-L371 HydrophobicContact CE1-CD1 3.64Å; Y332-L371 HydrophobicContact CE2-CB 4.2Å; L367-L371 HydrophobicContact CD1-CD1 4.45Å; L367-L371 HydrophobicContact CD1-CG 4.32Å; L367-L371 HydrophobicContact CG-CD1 4.17Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.2Å; L367-L371 PolarHBondContact O-N 3.32Å; A368-L371 PolarHBondContact O-N 3.03Å; L371-G373 PolarHBondContact O-N 3.07Å; L371-T408 HydrophobicContact CD2-CG2 4.31Å
372Q79.9Confident84.6Confident82 Ų8243.5 Ų43.538%0.38323%0.227SC..THydrogen-bonded Turntrans-77.2-2.1171.5-71.4-178.1-41.500114.1Y332 A368 M369 F370Y332-Q372 HydrophobicContact CD2-CG 3.7Å; Y332-Q372 HydrophobicContact CG-CG 4.05Å; A368-Q372 WeakPolarHBondContact O-CG 3.1Å; A368-Q372 PolarHBondContact O-N 3.03Å; M369-Q372 PolarHBondContact O-N 2.87Å; F370-Q372 VanDerWaalsContact C-N 3.27Å; F370-Q372 PolarHBondContact O-N 2.66Å
373G76.9Confident84.8Confident51 Ų5148.4 Ų48.453%0.52625%0.251SS..THydrogen-bonded Turntrans87.45179.600000114.8M369 F370 L371 I375M369-G373 PolarHBondContact O-N 3.28Å; F370-G373 PolarHBondContact O-N 3.43Å; L371-G373 PolarHBondContact O-N 3.07Å; G373-I375 PolarHBondContact O-N 2.72Å
374H83.8Confident84.8Confident103 Ų10352.9 Ų52.948%0.47727%0.274SS..  trans-79.956.2174.6-59.8-57000111.6M369 K376 A377 A378M369-H374 HydrophobicContact CB-CB 4.33Å; M369-H374 WeakPolarHBondContact O-CB 3.29Å; M369-H374 PolarHBondContact O-N 3.5Å; H374-K376 PolarHBondContact O-N 3.34Å; H374-A377 HydrophobicContact CB-CB 4.29Å; H374-A377 PolarHBondContact O-N 2.89Å; H374-A378 PolarHBondContact O-N 3.09Å
375I82.6Confident85Confident87 Ų8752.8 Ų52.845%0.44627%0.274SS..Hα-helixtrans-56.7-44.7-167.5-60.9174.7000112.6F370 G373 A378 K379F370-I375 HydrophobicContact CE2-CG1 4.39Å; F370-I375 HydrophobicContact CE2-CG2 4.35Å; G373-I375 PolarHBondContact O-N 2.72Å; I375-A378 PolarHBondContact O-N 3.09Å; I375-K379 HydrophobicContact CG2-CD 4.44Å; I375-K379 WeakPolarHBondContact O-CG 3.23Å; I375-K379 PolarHBondContact O-N 3.23Å
376K88.7Confident85Confident162 Ų16253.3 Ų53.370%0.70428%0.277SS*.Hα-helixtrans-63-49.9-179.8-172.7179.1177.6-176.60111.3H374 A378 K379 D380H374-K376 PolarHBondContact O-N 3.34Å; K376-A378 VanDerWaalsContact C-N 3.3Å; K376-A378 PolarHBondContact O-N 3.33Å; K376-K379 PolarHBondContact O-N 2.99Å; K376-K379 VanDerWaalsContact O-N 3.15Å; K376-D380 VanDerWaalsContact O-CG 3.28Å; K376-D380 PolarHBondContact O-N 2.76Å
377A86.9Confident85Confident45 Ų4558.9 Ų58.937%0.37231%0.306SS..Hα-helixtrans-61.6-37.3178.500000112.4M369 H374 D380 S381M369-A377 HydrophobicContact SD-CB 4Å; H374-A377 HydrophobicContact CB-CB 4.29Å; H374-A377 PolarHBondContact O-N 2.89Å; A377-D380 PolarHBondContact O-N 3.4Å; A377-S381 VanDerWaalsContact O-CB 3.27Å; A377-S381 WeakPolarHBondContact O-CB 3.49Å; A377-S381 PolarHBondContact O-N 3.32Å
378A84Confident85Confident0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-64.2-42.2174.400000112.6T366 M369 F370 H374 I375 K376 S381 L382 M405T366-A378 VanDerWaalsContact CG2-O 3.29Å; T366-A378 WeakPolarHBondContact CG2-O 3.45Å; M369-A378 HydrophobicContact CB-CB 4.14Å; F370-A378 HydrophobicContact CB-CB 3.69Å; F370-A378 HydrophobicContact CD2-CB 4.24Å; F370-A378 HydrophobicContact CG-CB 4.48Å; H374-A378 PolarHBondContact O-N 3.09Å; I375-A378 PolarHBondContact O-N 3.09Å; K376-A378 VanDerWaalsContact C-N 3.3Å; K376-A378 PolarHBondContact O-N 3.33Å; A378-S381 PolarHBondContact O-N 3.46Å; A378-L382 WeakPolarHBondContact O-CB 3.19Å; A378-L382 PolarHBondContact O-N 3.09Å; A378-M405 HydrophobicContact CB-CE 3.97Å
379K89.2Confident85Confident126 Ų12662.6 Ų62.655%0.54833%0.331SS..Hα-helixtrans-65.3-43176.3-73.2-176.9175.8-1700112.3I375 K376 S381 L382 Q383 M405I375-K379 HydrophobicContact CG2-CD 4.44Å; I375-K379 WeakPolarHBondContact O-CG 3.23Å; I375-K379 PolarHBondContact O-N 3.23Å; K376-K379 PolarHBondContact O-N 2.99Å; K376-K379 VanDerWaalsContact O-N 3.15Å; K379-S381 VanDerWaalsContact C-N 3.31Å; K379-S381 PolarHBondContact O-N 3.14Å; K379-L382 PolarHBondContact O-N 3.44Å; K379-Q383 PolarHBondContact O-N 3.05Å; K379-M405 HydrophobicContact CG-CE 4.36Å
380D92.5Very high84.6Confident88 Ų8866.3 Ų66.347%0.47136%0.358SS..Hα-helixtrans-62.3-41.8176.5-62.1-21.6000110.5K376 A377 Q383 N384K376-D380 VanDerWaalsContact O-CG 3.28Å; K376-D380 PolarHBondContact O-N 2.76Å; A377-D380 PolarHBondContact O-N 3.4Å; D380-Q383 PolarHBondContact O-N 2.88Å; D380-N384 PolarHBondContact O-N 3.35Å; D380-N384 VanDerWaalsContact O-N 3.08Å; D380-N384 PolarHBondContact O-ND2 3.36Å
381S91.3Very high84.1Confident15 Ų1572.1 Ų72.111%0.10539%0.385CS..Hα-helixtrans-63.7-43.7174.9-172.90000112.9T366 M369 A377 A378 K379 Q383 N384 L385T366-S381 PolarHBondContact OG1-OG 3.37Å; M369-S381 VanDerWaalsContact CE-CB 3.45Å; A377-S381 VanDerWaalsContact O-CB 3.27Å; A377-S381 WeakPolarHBondContact O-CB 3.49Å; A377-S381 PolarHBondContact O-N 3.32Å; A378-S381 PolarHBondContact O-N 3.46Å; K379-S381 VanDerWaalsContact C-N 3.31Å; K379-S381 PolarHBondContact O-N 3.14Å; S381-Q383 VanDerWaalsContact C-N 3.3Å; S381-Q383 PolarHBondContact O-N 3.06Å; S381-N384 WeakPolarHBondContact O-CB 3.4Å; S381-N384 PolarHBondContact O-N 2.99Å; S381-L385 WeakPolarHBondContact O-CG 3.47Å; S381-L385 PolarHBondContact O-N 3.1Å
382L90.8Very high83Confident14 Ų1476.5 Ų76.57%0.07340%0.404CS..Hα-helixtrans-60.1-42.3175.9-179.362.2000111.3T366 A378 K379 N384 L385 K386 W398 E402 M405T366-L382 HydrophobicContact CG2-CB 3.92Å; A378-L382 WeakPolarHBondContact O-CB 3.19Å; A378-L382 PolarHBondContact O-N 3.09Å; K379-L382 PolarHBondContact O-N 3.44Å; L382-N384 VanDerWaalsContact C-N 3.32Å; L382-N384 PolarHBondContact O-N 3.21Å; L382-L385 PolarHBondContact O-N 3.04Å; L382-K386 WeakPolarHBondContact O-CG 3.13Å; L382-K386 PolarHBondContact O-N 3.48Å; L382-W398 HydrophobicContact CD1-CB 4.43Å; L382-E402 HydrophobicContact CD1-CB 4.27Å; L382-E402 HydrophobicContact CD2-CB 3.93Å; L382-E402 HydrophobicContact CD2-CG 4.1Å; L382-M405 HydrophobicContact CD2-CE 4.26Å; L382-M405 HydrophobicContact CD2-SD 4.03Å
383Q92.3Very high81.8Confident104 Ų10480 Ų8049%0.48642%0.42SS..Hα-helixtrans-62.1-41.8177-172.361.819.700111.4K379 D380 S381 L385 K386 L387K379-Q383 PolarHBondContact O-N 3.05Å; D380-Q383 PolarHBondContact O-N 2.88Å; S381-Q383 VanDerWaalsContact C-N 3.3Å; S381-Q383 PolarHBondContact O-N 3.06Å; Q383-L385 VanDerWaalsContact C-N 3.35Å; Q383-L385 PolarHBondContact O-N 3.2Å; Q383-K386 PolarHBondContact O-N 2.91Å; Q383-L387 WeakPolarHBondContact O-CG 3.43Å; Q383-L387 PolarHBondContact O-N 3.44Å; Q383-L387 VanDerWaalsContact O-N 3.13Å
384N89Confident81.1Confident97 Ų9779.7 Ų79.752%0.51940%0.404SS..Hα-helixtrans-63.4-38.8175.5-70-22.1000112.6D380 S381 L382 L387 S388D380-N384 PolarHBondContact O-N 3.35Å; D380-N384 VanDerWaalsContact O-N 3.08Å; D380-N384 PolarHBondContact O-ND2 3.36Å; S381-N384 WeakPolarHBondContact O-CB 3.4Å; S381-N384 PolarHBondContact O-N 2.99Å; L382-N384 VanDerWaalsContact C-N 3.32Å; L382-N384 PolarHBondContact O-N 3.21Å; N384-L387 PolarHBondContact O-N 2.93Å; N384-S388 WeakPolarHBondContact O-CB 3.25Å; N384-S388 PolarHBondContact O-N 2.84Å; N384-S388 PolarHBondContact O-OG 3.38Å
385L87.4Confident80.5Confident5 Ų575 Ų753%0.02638%0.383CS..Hα-helixtrans-62.9-43.3174.8-70.5173.2000112.1W339 T366 S381 L382 Q383 L387 S388 F389 W398W339-L385 HydrophobicContact CH2-CD2 4.25Å; W339-L385 HydrophobicContact CZ2-CD2 4.4Å; T366-L385 WeakPolarHBondContact OG1-CD1 3.46Å; S381-L385 WeakPolarHBondContact O-CG 3.47Å; S381-L385 PolarHBondContact O-N 3.1Å; L382-L385 PolarHBondContact O-N 3.04Å; Q383-L385 VanDerWaalsContact C-N 3.35Å; Q383-L385 PolarHBondContact O-N 3.2Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 3.22Å; L385-S388 PolarHBondContact O-N 2.91Å; L385-F389 HydrophobicContact CD2-CD2 4Å; L385-F389 HydrophobicContact CD2-CE2 3.87Å; L385-F389 WeakPolarHBondContact O-CB 3.48Å; L385-F389 PolarHBondContact O-N 3.29Å; L385-W398 HydrophobicContact CB-CB 4.22Å
386K88.5Confident80.1Confident51 Ų5173.4 Ų73.422%0.22237%0.373CS..Hα-helixtrans-61.2-37.9177.8-72.3176.6175.4-168.80112.4L382 Q383 S390 W398 E402L382-K386 WeakPolarHBondContact O-CG 3.13Å; L382-K386 PolarHBondContact O-N 3.48Å; Q383-K386 PolarHBondContact O-N 2.91Å; K386-S390 PolarHBondContact O-N 3.07Å; K386-W398 HydrophobicContact CD-CE3 4.27Å; K386-W398 HydrophobicContact CD-CZ3 4.2Å; K386-W398 HydrophobicContact CG-CD2 3.87Å; K386-W398 HydrophobicContact CG-CE3 3.7Å; K386-W398 HydrophobicContact CG-CG 4.47Å; K386-W398 HydrophobicContact CG-CH2 4.37Å; K386-W398 HydrophobicContact CG-CZ2 4.48Å; K386-W398 HydrophobicContact CG-CZ3 3.98Å; K386-E402 WeakPolarHBondContact CE-OE2 3.42Å; K386-E402 IonicContact NZ-OE1 2.87Å; K386-E402 PolarHBondContact NZ-OE1 2.99Å; K386-E402 IonicContact NZ-OE2 3.23Å; K386-E402 PolarHBondContact NZ-OE2 3.32Å; K386-E402 VanDerWaalsContact NZ-OE2 3.09Å
387L86.1Confident79.5Confident118 Ų11866 Ų6662%0.61834%0.341SS*.Hα-helixtrans-71.4-39.5176.5-68171.9000111.9Q383 N384 L385Q383-L387 WeakPolarHBondContact O-CG 3.43Å; Q383-L387 PolarHBondContact O-N 3.44Å; Q383-L387 VanDerWaalsContact O-N 3.13Å; N384-L387 PolarHBondContact O-N 2.93Å; L385-L387 VanDerWaalsContact C-N 3.27Å; L385-L387 PolarHBondContact O-N 3.22Å
388S81.7Confident79.3Confident72 Ų7265.2 Ų65.250%0.50333%0.329SS..Hα-helixtrans-80.1-28-176.1-54.90000113.2N384 L385N384-S388 WeakPolarHBondContact O-CB 3.25Å; N384-S388 PolarHBondContact O-N 2.84Å; N384-S388 PolarHBondContact O-OG 3.38Å; L385-S388 PolarHBondContact O-N 2.91Å
389F80.1Confident79.3Confident13 Ų1369.8 Ų69.86%0.05735%0.346CS..THydrogen-bonded Turntrans-126.453-177.4-58.4-78000110.5F353 C359 L385 E391 W398F353-F389 WeakPolarHBondContact O-CE1 3.29Å; C359-F389 HydrophobicContact CB-CB 4.43Å; C359-F389 HydrophobicContact CB-CD1 3.74Å; C359-F389 HydrophobicContact CB-CD2 4Å; C359-F389 HydrophobicContact CB-CE1 3.91Å; C359-F389 HydrophobicContact CB-CE2 4.16Å; C359-F389 HydrophobicContact CB-CG 3.79Å; C359-F389 HydrophobicContact CB-CZ 4.12Å; L385-F389 HydrophobicContact CD2-CD2 4Å; L385-F389 HydrophobicContact CD2-CE2 3.87Å; L385-F389 WeakPolarHBondContact O-CB 3.48Å; L385-F389 PolarHBondContact O-N 3.29Å; F389-E391 VanDerWaalsContact C-N 3.31Å; F389-W398 PolarHBondContact O-NE1 3.47Å
390S72.5Confident78.6Confident87 Ų8764.8 Ų64.861%0.60832%0.324SS*.  trans-72.9-25178.559.10000112.6K386K386-S390 PolarHBondContact O-N 3.07Å
391E66.7Low78Confident135 Ų13560.8 Ų60.863%0.63130%0.303SS*.SBendtrans-63.7137.3178.7-64.4-172.9169.500112.3F389 E393 F394 S395F389-E391 VanDerWaalsContact C-N 3.31Å; E391-E393 VanDerWaalsContact C-N 3.31Å; E391-E393 PolarHBondContact O-N 3.35Å; E391-F394 PolarHBondContact O-N 3.36Å; E391-S395 PolarHBondContact O-N 3.31Å
392H51.7Low77.7Confident152 Ų15262.6 Ų62.670%0.70431%0.31SS*.THydrogen-bonded Turntrans-58.5-37.7-167.3-91.3-61000114F394 S395H392-F394 VanDerWaalsContact C-N 3.31Å; H392-F394 PolarHBondContact O-N 3.4Å; H392-S395 PolarHBondContact O-N 3.45Å; H392-S395 PolarHBondContact O-OG 3.03Å
393E55.7Low77.1Confident154 Ų15462.2 Ų62.272%0.7231%0.309SS*.THydrogen-bonded Turntrans-61.5-37.4-172.1-64.1-168.4162.300112.6E391 H396E391-E393 VanDerWaalsContact C-N 3.31Å; E391-E393 PolarHBondContact O-N 3.35Å; E393-H396 PolarHBondContact O-ND1 3.27Å; E393-H396 VanDerWaalsContact O-ND1 3.07Å
394F62.7Low76.1Confident46 Ų4657.4 Ų57.420%0.20229%0.286CS..THydrogen-bonded Turntrans-99.5-8.8-177.6-46.7-44.8000113.3E356 C359 E391 H392 H396 H397E356-F394 HydrophobicContact CB-CD1 3.66Å; E356-F394 HydrophobicContact CB-CE1 4.04Å; E356-F394 HydrophobicContact CG-CD1 4.28Å; C359-F394 HydrophobicContact CB-CB 4.3Å; C359-F394 PolarHBondContact SG-O 2.74Å; E391-F394 PolarHBondContact O-N 3.36Å; H392-F394 VanDerWaalsContact C-N 3.31Å; H392-F394 PolarHBondContact O-N 3.4Å; F394-H396 PolarHBondContact O-N 3.36Å; F394-H397 PolarHBondContact O-N 3.11Å
395S70.2Confident75.5Confident4 Ų453.1 Ų53.13%0.02826%0.263CS..Hα-helixtrans-61.9-19.8-173.8700000114.9E391 H392 H397 W398 R399E391-S395 PolarHBondContact O-N 3.31Å; H392-S395 PolarHBondContact O-N 3.45Å; H392-S395 PolarHBondContact O-OG 3.03Å; S395-H397 VanDerWaalsContact C-N 3.3Å; S395-H397 PolarHBondContact O-N 2.79Å; S395-W398 VanDerWaalsContact CA-NE1 3.27Å; S395-R399 WeakPolarHBondContact O-CB 3.36Å; S395-R399 WeakPolarHBondContact O-CG 3.4Å; S395-R399 PolarHBondContact O-N 3.37Å; S395-R399 VanDerWaalsContact O-N 3.11Å; S395-R399 PolarHBondContact OG-NE 3.02Å
396H74.1Confident75.1Confident53 Ų5355.9 Ų55.925%0.24528%0.278CS..Hα-helixtrans-64.1-31.2-177.570.3-88.7000113.4E356 E393 F394 K400 F429E356-H396 IonicContact OE1-CE1 3.93Å; E356-H396 IonicContact OE1-NE2 3.44Å; E356-H396 PolarHBondContact OE1-NE2 3.37Å; E393-H396 PolarHBondContact O-ND1 3.27Å; E393-H396 VanDerWaalsContact O-ND1 3.07Å; F394-H396 PolarHBondContact O-N 3.36Å; H396-K400 VanDerWaalsContact O-CB 3.31Å; H396-K400 WeakPolarHBondContact O-CB 3.37Å; H396-K400 PolarHBondContact O-N 3.42Å; H396-F429 HydrophobicContact CB-CD1 4.32Å; H396-F429 HydrophobicContact CB-CE1 4.44Å
397H77.3Confident74.3Confident6 Ų654.5 Ų54.53%0.02827%0.272CS..Hα-helixtrans-70.5-49.2179.9-73.7-51.1000112.5E356 C359 S363 F394 S395 R399 K400 C401E356-H397 VanDerWaalsContact CG-CD2 3.46Å; E356-H397 WeakPolarHBondContact CG-CD2 3.32Å; E356-H397 WeakPolarHBondContact CG-NE2 3.41Å; E356-H397 IonicContact OE1-CE1 3.52Å; E356-H397 IonicContact OE1-NE2 3.56Å; E356-H397 PolarHBondContact OE1-NE2 3.15Å; C359-H397 HydrophobicContact CB-CB 4.41Å; S363-H397 PolarHBondContact OG-O 3.3Å; F394-H397 PolarHBondContact O-N 3.11Å; S395-H397 VanDerWaalsContact C-N 3.3Å; S395-H397 PolarHBondContact O-N 2.79Å; H397-R399 VanDerWaalsContact C-N 3.3Å; H397-R399 PolarHBondContact O-N 3.45Å; H397-K400 PolarHBondContact O-N 3.02Å; H397-C401 PolarHBondContact O-N 3.43Å
398W82.4Confident73.3Confident29 Ų2950 Ų5011%0.1125%0.25CS..Hα-helixtrans-69.1-31.1177.667.5-111.4000111.7S363 L382 L385 K386 F389 S395 C401 E402S363-W398 WeakPolarHBondContact OG-CA 3.26Å; S363-W398 PolarHBondContact OG-N 3.09Å; L382-W398 HydrophobicContact CD1-CB 4.43Å; L385-W398 HydrophobicContact CB-CB 4.22Å; K386-W398 HydrophobicContact CD-CE3 4.27Å; K386-W398 HydrophobicContact CD-CZ3 4.2Å; K386-W398 HydrophobicContact CG-CD2 3.87Å; K386-W398 HydrophobicContact CG-CE3 3.7Å; K386-W398 HydrophobicContact CG-CG 4.47Å; K386-W398 HydrophobicContact CG-CH2 4.37Å; K386-W398 HydrophobicContact CG-CZ2 4.48Å; K386-W398 HydrophobicContact CG-CZ3 3.98Å; F389-W398 PolarHBondContact O-NE1 3.47Å; S395-W398 VanDerWaalsContact CA-NE1 3.27Å; W398-C401 WeakPolarHBondContact O-CB 3.45Å; W398-C401 PolarHBondContact O-N 3.43Å; W398-E402 WeakPolarHBondContact O-CB 3.35Å; W398-E402 PolarHBondContact O-N 2.89Å
399R82.2Confident72.9Confident96 Ų9648.2 Ų48.236%0.36224%0.237SC..Hα-helixtrans-65.6-41.6173.9-72.1173.2-173.7-168.22.4111.7S395 H397 C401 E402 A403 F429S395-R399 WeakPolarHBondContact O-CB 3.36Å; S395-R399 WeakPolarHBondContact O-CG 3.4Å; S395-R399 PolarHBondContact O-N 3.37Å; S395-R399 VanDerWaalsContact O-N 3.11Å; S395-R399 PolarHBondContact OG-NE 3.02Å; H397-R399 VanDerWaalsContact C-N 3.3Å; H397-R399 PolarHBondContact O-N 3.45Å; R399-C401 VanDerWaalsContact C-N 3.34Å; R399-E402 PolarHBondContact O-N 3.26Å; R399-A403 WeakPolarHBondContact O-CB 3.37Å; R399-A403 PolarHBondContact O-N 3.03Å; R399-F429 HydrophobicContact CB-CE1 3.72Å; R399-F429 HydrophobicContact CB-CE2 4.32Å; R399-F429 HydrophobicContact CB-CZ 3.41Å; R399-F429 VanDerWaalsContact CB-CZ 3.41Å
400K75.3Confident72.3Confident21 Ų2148.2 Ų48.29%0.09124%0.239CC..Hα-helixtrans-63.4-40.5173.1-177.9-179.8174.6-179.60111.3S229 S233 H396 H397 S404 L426 F429S229-K400 PolarHBondContact O-NZ 3.2Å; S233-K400 PolarHBondContact OG-NZ 3.47Å; H396-K400 VanDerWaalsContact O-CB 3.31Å; H396-K400 WeakPolarHBondContact O-CB 3.37Å; H396-K400 PolarHBondContact O-N 3.42Å; H397-K400 PolarHBondContact O-N 3.02Å; K400-S404 WeakPolarHBondContact O-CB 3.49Å; K400-S404 PolarHBondContact O-N 2.97Å; K400-S404 PolarHBondContact O-OG 3.08Å; K400-L426 HydrophobicContact CG-CD2 4.35Å; K400-F429 HydrophobicContact CB-CB 4.34Å; K400-F429 HydrophobicContact CB-CD1 4.39Å; K400-F429 HydrophobicContact CB-CD2 3.95Å; K400-F429 HydrophobicContact CB-CE2 4.43Å; K400-F429 HydrophobicContact CB-CG 3.95Å; K400-F429 HydrophobicContact CD-CB 4.22Å; K400-F429 HydrophobicContact CG-CB 4.3Å; K400-F429 HydrophobicContact CG-CD2 4.31Å; K400-F429 HydrophobicContact CG-CG 4.36Å
401C79.8Confident71.6Confident4 Ų447.2 Ų47.23%0.02722%0.224CC..Hα-helixtrans-60.1-50173.2-177.70000111.7S363 H397 W398 R399 S404 M405S363-C401 PolarHBondContact O-SG 2.89Å; H397-C401 PolarHBondContact O-N 3.43Å; W398-C401 WeakPolarHBondContact O-CB 3.45Å; W398-C401 PolarHBondContact O-N 3.43Å; R399-C401 VanDerWaalsContact C-N 3.34Å; C401-S404 WeakPolarHBondContact O-CB 3.48Å; C401-S404 PolarHBondContact O-N 3.19Å; C401-S404 VanDerWaalsContact O-N 3.12Å; C401-M405 WeakPolarHBondContact O-CG 3.39Å; C401-M405 PolarHBondContact O-N 3.46Å
402E84.8Confident71.4Confident54 Ų5448.1 Ų48.125%0.25223%0.226SC..Hα-helixtrans-57.1-51.3177.1176.6165.5-131.100111.5L382 K386 W398 R399 S404 M405 D406L382-E402 HydrophobicContact CD1-CB 4.27Å; L382-E402 HydrophobicContact CD2-CB 3.93Å; L382-E402 HydrophobicContact CD2-CG 4.1Å; K386-E402 WeakPolarHBondContact CE-OE2 3.42Å; K386-E402 IonicContact NZ-OE1 2.87Å; K386-E402 PolarHBondContact NZ-OE1 2.99Å; K386-E402 IonicContact NZ-OE2 3.23Å; K386-E402 PolarHBondContact NZ-OE2 3.32Å; K386-E402 VanDerWaalsContact NZ-OE2 3.09Å; W398-E402 WeakPolarHBondContact O-CB 3.35Å; W398-E402 PolarHBondContact O-N 2.89Å; R399-E402 PolarHBondContact O-N 3.26Å; E402-S404 PolarHBondContact O-N 3.42Å; E402-M405 PolarHBondContact O-N 3.13Å; E402-M405 VanDerWaalsContact O-N 3.09Å; E402-D406 PolarHBondContact O-N 3.31Å
403A77.8Confident72.5Confident5 Ų548.8 Ų48.84%0.04123%0.227CC..Hα-helixtrans-59.3-33.2177.500000112.2R399 F407 K425 L426 F429R399-A403 WeakPolarHBondContact O-CB 3.37Å; R399-A403 PolarHBondContact O-N 3.03Å; A403-F407 WeakPolarHBondContact O-CB 3.46Å; A403-F407 PolarHBondContact O-N 3.46Å; A403-K425 HydrophobicContact CB-CB 4.19Å; A403-L426 HydrophobicContact CB-CD2 3.72Å; A403-L426 HydrophobicContact CB-CG 3.88Å; A403-F429 HydrophobicContact CB-CE2 4.31Å
404S72.7Confident73.3Confident3 Ų348.6 Ų48.62%0.02123%0.226CC..Hα-helixtrans-70-41.8175.9-57.40000112K400 C401 E402 T408 L426K400-S404 WeakPolarHBondContact O-CB 3.49Å; K400-S404 PolarHBondContact O-N 2.97Å; K400-S404 PolarHBondContact O-OG 3.08Å; C401-S404 WeakPolarHBondContact O-CB 3.48Å; C401-S404 PolarHBondContact O-N 3.19Å; C401-S404 VanDerWaalsContact O-N 3.12Å; E402-S404 PolarHBondContact O-N 3.42Å; S404-T408 WeakPolarHBondContact O-CB 3.42Å; S404-T408 PolarHBondContact O-N 3.23Å; S404-T408 PolarHBondContact O-OG1 3.32Å; S404-L426 WeakPolarHBondContact OG-CD2 3.39Å
405M76.4Confident73.7Confident7 Ų749.5 Ų49.53%0.03423%0.233CC..Hα-helixtrans-66.5-42.8176.5-68.3169.562.300111.5T366 L367 F370 A378 K379 L382 C401 E402 T408 S409T366-M405 HydrophobicContact CG2-SD 3.9Å; L367-M405 HydrophobicContact CD1-CG 4Å; F370-M405 HydrophobicContact CB-CE 4.38Å; F370-M405 HydrophobicContact CB-CG 4.12Å; F370-M405 HydrophobicContact CD1-CB 4.45Å; F370-M405 HydrophobicContact CD1-CG 4.15Å; F370-M405 HydrophobicContact CD2-CB 4.24Å; F370-M405 HydrophobicContact CD2-CE 3.67Å; F370-M405 HydrophobicContact CD2-CG 4.04Å; F370-M405 HydrophobicContact CE2-CB 4.27Å; F370-M405 HydrophobicContact CE2-CE 4.34Å; F370-M405 HydrophobicContact CG-CB 4.32Å; F370-M405 HydrophobicContact CG-CE 4.21Å; F370-M405 HydrophobicContact CG-CG 3.8Å; F370-M405 HydrophobicContact CZ-CB 4.43Å; F370-M405 WeakPolarHBondContact CZ-O 3.02Å; A378-M405 HydrophobicContact CB-CE 3.97Å; K379-M405 HydrophobicContact CG-CE 4.36Å; L382-M405 HydrophobicContact CD2-CE 4.26Å; L382-M405 HydrophobicContact CD2-SD 4.03Å; C401-M405 WeakPolarHBondContact O-CG 3.39Å; C401-M405 PolarHBondContact O-N 3.46Å; E402-M405 PolarHBondContact O-N 3.13Å; E402-M405 VanDerWaalsContact O-N 3.09Å; M405-T408 PolarHBondContact O-N 2.81Å; M405-S409 WeakPolarHBondContact O-CB 3.34Å; M405-S409 PolarHBondContact O-N 2.91Å; M405-S409 PolarHBondContact O-OG 3.13Å
406D79.1Confident73.5Confident64 Ų6454.1 Ų54.134%0.34226%0.257SS..Hα-helixtrans-66.4-44.3177.4-73.1-17000110.8E402 T408 S409 S410 N422E402-D406 PolarHBondContact O-N 3.31Å; D406-T408 PolarHBondContact O-N 2.98Å; D406-S409 PolarHBondContact O-N 3.42Å; D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 3.22Å; D406-S410 PolarHBondContact O-OG 3.47Å; D406-N422 WeakPolarHBondContact CB-ND2 3.22Å; D406-N422 PolarHBondContact O-ND2 3.36Å
407F71Confident73.4Confident22 Ų2254.6 Ų54.610%0.09627%0.27CS..Hα-helixtrans-55.6-51.3173174.3-100.3000111.2A222 A403 S409 S410 F411 C419 N422 L423 L426A222-F407 HydrophobicContact CB-CE1 3.72Å; A222-F407 HydrophobicContact CB-CE2 4.11Å; A222-F407 HydrophobicContact CB-CZ 3.27Å; A403-F407 WeakPolarHBondContact O-CB 3.46Å; A403-F407 PolarHBondContact O-N 3.46Å; F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 3.03Å; F407-S410 PolarHBondContact O-N 3.39Å; F407-F411 HydrophobicContact CE1-CD2 4.29Å; F407-F411 HydrophobicContact CZ-CD2 4.12Å; F407-F411 VanDerWaalsContact O-CB 3.32Å; F407-F411 WeakPolarHBondContact O-CB 3.42Å; F407-F411 PolarHBondContact O-N 3.42Å; F407-C419 HydrophobicContact CD2-CB 4.3Å; F407-C419 HydrophobicContact CE2-CB 3.96Å; F407-N422 HydrophobicContact CB-CB 3.82Å; F407-N422 HydrophobicContact CD2-CB 4.36Å; F407-N422 PolarHBondContact N-ND2 3.25Å; F407-L423 HydrophobicContact CD2-CD1 4.44Å; F407-L423 HydrophobicContact CD2-CD2 4Å; F407-L423 HydrophobicContact CD2-CG 3.7Å; F407-L423 HydrophobicContact CE2-CD1 3.71Å; F407-L423 HydrophobicContact CE2-CD2 3.68Å; F407-L423 HydrophobicContact CE2-CG 3.41Å; F407-L423 VanDerWaalsContact CE2-CG 3.41Å; F407-L423 HydrophobicContact CZ-CD1 4.44Å; F407-L423 HydrophobicContact CZ-CD2 4.13Å; F407-L423 HydrophobicContact CZ-CG 4.29Å; F407-L426 HydrophobicContact CB-CD1 3.88Å; F407-L426 HydrophobicContact CG-CD1 4.11Å
408T65.5Low73Confident24 Ų2456.2 Ų56.215%0.14728%0.282CS..Hα-helixtrans-65.6-37-177.6-54.60000111.8F370 L371 S404 M405 D406 F411 F412F370-T408 HydrophobicContact CD1-CG2 4.48Å; F370-T408 HydrophobicContact CE1-CG2 3.64Å; L371-T408 HydrophobicContact CD2-CG2 4.31Å; S404-T408 WeakPolarHBondContact O-CB 3.42Å; S404-T408 PolarHBondContact O-N 3.23Å; S404-T408 PolarHBondContact O-OG1 3.32Å; M405-T408 PolarHBondContact O-N 2.81Å; D406-T408 PolarHBondContact O-N 2.98Å; T408-F411 WeakPolarHBondContact O-CB 3.48Å; T408-F411 PolarHBondContact O-N 2.97Å; T408-F412 HydrophobicContact CG2-CD2 3.81Å; T408-F412 HydrophobicContact CG2-CE2 3.47Å; T408-F412 VanDerWaalsContact CG2-CE2 3.47Å; T408-F412 HydrophobicContact CG2-CZ 4.47Å; T408-F412 WeakPolarHBondContact O-CD2 3.44Å; T408-F412 PolarHBondContact O-N 3.37Å
409S73.6Confident71.7Confident33 Ų3355.3 Ų55.323%0.23128%0.28CS..Hα-helixtrans-62.7-47.5173.8-63.10000111.7F370 M405 D406 F407 F411 F412 K413F370-S409 VanDerWaalsContact CZ-OG 3.29Å; F370-S409 WeakPolarHBondContact CZ-OG 3.13Å; M405-S409 WeakPolarHBondContact O-CB 3.34Å; M405-S409 PolarHBondContact O-N 2.91Å; M405-S409 PolarHBondContact O-OG 3.13Å; D406-S409 PolarHBondContact O-N 3.42Å; F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 3.03Å; S409-F411 VanDerWaalsContact C-N 3.28Å; S409-F411 PolarHBondContact O-N 2.86Å; S409-F412 PolarHBondContact O-N 3.43Å; S409-K413 WeakPolarHBondContact O-CG 3.46Å; S409-K413 PolarHBondContact O-N 2.88Å
410S67.6Low70.8Confident13 Ų1357.8 Ų57.89%0.09129%0.294CS..Hα-helixtrans-61.9-38.7176-61.10000111.3D406 F407 K413 Q414 D415 S418 C419 N422D406-S410 WeakPolarHBondContact O-CB 3.41Å; D406-S410 PolarHBondContact O-N 3.22Å; D406-S410 PolarHBondContact O-OG 3.47Å; F407-S410 PolarHBondContact O-N 3.39Å; S410-K413 CarbonylContact O-C 3.55Å; S410-K413 PolarHBondContact O-N 2.96Å; S410-Q414 PolarHBondContact O-N 2.77Å; S410-D415 PolarHBondContact O-N 3.35Å; S410-S418 WeakPolarHBondContact OG-CB 3.42Å; S410-C419 VanDerWaalsContact CB-SG 3.51Å; S410-N422 PolarHBondContact OG-ND2 3.11Å
411F56.2Low70.7Confident66 Ų6661.3 Ų61.329%0.28931%0.313SS..Hα-helixtrans-60-48.9176.6178.5-80000111.4R219 F407 T408 S409 K413 Q414 C419R219-F411 HydrophobicContact CB-CE2 4.09Å; R219-F411 HydrophobicContact CG-CD2 4.42Å; R219-F411 HydrophobicContact CG-CE2 3.53Å; R219-F411 HydrophobicContact CG-CZ 4.08Å; F407-F411 HydrophobicContact CE1-CD2 4.29Å; F407-F411 HydrophobicContact CZ-CD2 4.12Å; F407-F411 VanDerWaalsContact O-CB 3.32Å; F407-F411 WeakPolarHBondContact O-CB 3.42Å; F407-F411 PolarHBondContact O-N 3.42Å; T408-F411 WeakPolarHBondContact O-CB 3.48Å; T408-F411 PolarHBondContact O-N 2.97Å; S409-F411 VanDerWaalsContact C-N 3.28Å; S409-F411 PolarHBondContact O-N 2.86Å; F411-K413 VanDerWaalsContact C-N 3.31Å; F411-K413 PolarHBondContact O-N 3.3Å; F411-Q414 PolarHBondContact O-N 3.42Å; F411-Q414 VanDerWaalsContact O-N 3.13Å; F411-C419 VanDerWaalsContact CA-SG 3.56Å; F411-C419 PolarHBondContact N-SG 3.38Å
412F64.4Low69.8Low154 Ų15461.6 Ų61.668%0.67532%0.315SS*.Hα-helixtrans-65.8-34177.7-77.9-59.3000112.9T408 S409 Q414T408-F412 HydrophobicContact CG2-CD2 3.81Å; T408-F412 HydrophobicContact CG2-CE2 3.47Å; T408-F412 VanDerWaalsContact CG2-CE2 3.47Å; T408-F412 HydrophobicContact CG2-CZ 4.47Å; T408-F412 WeakPolarHBondContact O-CD2 3.44Å; T408-F412 PolarHBondContact O-N 3.37Å; S409-F412 PolarHBondContact O-N 3.43Å; F412-Q414 PolarHBondContact O-N 3.03Å
413K74.8Confident68.5Low167 Ų16760.5 Ų60.573%0.72631%0.311SS*.THydrogen-bonded Turntrans-76.9-6.1175-70.2177.2-179.3-178.90113.9S409 S410 F411 D415S409-K413 WeakPolarHBondContact O-CG 3.46Å; S409-K413 PolarHBondContact O-N 2.88Å; S410-K413 CarbonylContact O-C 3.55Å; S410-K413 PolarHBondContact O-N 2.96Å; F411-K413 VanDerWaalsContact C-N 3.31Å; F411-K413 PolarHBondContact O-N 3.3Å; K413-D415 HydrophobicContact CB-CB 4.46Å; K413-D415 PolarHBondContact O-N 3.43Å
414Q70.7Confident67.7Low149 Ų14963.7 Ų63.770%0.69633%0.329SS*.THydrogen-bonded Turntrans58.727.4-173.4-49.7-178.72.500113.2S410 F411 F412 N416S410-Q414 PolarHBondContact O-N 2.77Å; F411-Q414 PolarHBondContact O-N 3.42Å; F411-Q414 VanDerWaalsContact O-N 3.13Å; F412-Q414 PolarHBondContact O-N 3.03Å; Q414-N416 PolarHBondContact O-N 3.27Å
415D72.7Confident67.3Low65 Ų6568.3 Ų68.335%0.34835%0.349SS..  trans-85.291176.2-178.1-6.4000109.8S410 K413 A417 S418 C419S410-D415 PolarHBondContact O-N 3.35Å; K413-D415 HydrophobicContact CB-CB 4.46Å; K413-D415 PolarHBondContact O-N 3.43Å; D415-A417 VanDerWaalsContact C-N 3.34Å; D415-A417 PolarHBondContact O-N 3.21Å; D415-A417 PolarHBondContact OD1-N 3.42Å; D415-S418 VanDerWaalsContact CG-CB 3.47Å; D415-S418 VanDerWaalsContact CG-OG 3.23Å; D415-S418 PolarHBondContact O-N 3.45Å; D415-S418 PolarHBondContact OD1-N 3.28Å; D415-S418 VanDerWaalsContact OD1-N 3.16Å; D415-S418 PolarHBondContact OD1-OG 3.41Å; D415-S418 VanDerWaalsContact OD2-CB 3.23Å; D415-S418 WeakPolarHBondContact OD2-CB 3.45Å; D415-S418 PolarHBondContact OD2-OG 3.2Å; D415-C419 WeakPolarHBondContact O-CB 3.38Å; D415-C419 PolarHBondContact O-N 3.25Å; D415-C419 PolarHBondContact O-SG 3.41Å
416N65.2Low66.4Low101 Ų10168.5 Ų68.554%0.5435%0.35SS..Hα-helixtrans-65.8-33.7-175.1-67.1-34000113.4Q414 C419 K420Q414-N416 PolarHBondContact O-N 3.27Å; N416-C419 PolarHBondContact O-N 3.06Å; N416-K420 WeakPolarHBondContact O-CB 3.48Å; N416-K420 PolarHBondContact O-N 3.15Å
417A73Confident65.1Low64 Ų6465.6 Ų65.653%0.52934%0.335SS..Hα-helixtrans-65.4-50.9179.300000109.5D415 C419 K420 D421D415-A417 VanDerWaalsContact C-N 3.34Å; D415-A417 PolarHBondContact O-N 3.21Å; D415-A417 PolarHBondContact OD1-N 3.42Å; A417-C419 VanDerWaalsContact C-N 3.32Å; A417-C419 PolarHBondContact O-N 2.95Å; A417-K420 WeakPolarHBondContact O-CB 3.49Å; A417-K420 PolarHBondContact O-N 3.35Å; A417-K420 VanDerWaalsContact O-N 3.14Å; A417-D421 PolarHBondContact O-N 2.77Å
418S67Low64.2Low39 Ų3967.4 Ų67.427%0.27335%0.348SS..Hα-helixtrans-65-34.2176.8-61.10000112.7S410 D415 N422S410-S418 WeakPolarHBondContact OG-CB 3.42Å; D415-S418 VanDerWaalsContact CG-CB 3.47Å; D415-S418 VanDerWaalsContact CG-OG 3.23Å; D415-S418 PolarHBondContact O-N 3.45Å; D415-S418 PolarHBondContact OD1-N 3.28Å; D415-S418 VanDerWaalsContact OD1-N 3.16Å; D415-S418 PolarHBondContact OD1-OG 3.41Å; D415-S418 VanDerWaalsContact OD2-CB 3.23Å; D415-S418 WeakPolarHBondContact OD2-CB 3.45Å; D415-S418 PolarHBondContact OD2-OG 3.2Å; S418-N422 WeakPolarHBondContact O-CB 3.42Å; S418-N422 PolarHBondContact O-N 3.19Å; S418-N422 PolarHBondContact O-ND2 3.39Å; S418-N422 VanDerWaalsContact O-ND2 3.08Å
419C55.8Low63.7Low11 Ų1169.1 Ų69.17%0.07435%0.353CS..Hα-helixtrans-60.1-46.2172.3-72.60000111.7F407 S410 F411 D415 N416 A417 N422 L423F407-C419 HydrophobicContact CD2-CB 4.3Å; F407-C419 HydrophobicContact CE2-CB 3.96Å; S410-C419 VanDerWaalsContact CB-SG 3.51Å; F411-C419 VanDerWaalsContact CA-SG 3.56Å; F411-C419 PolarHBondContact N-SG 3.38Å; D415-C419 WeakPolarHBondContact O-CB 3.38Å; D415-C419 PolarHBondContact O-N 3.25Å; D415-C419 PolarHBondContact O-SG 3.41Å; N416-C419 PolarHBondContact O-N 3.06Å; A417-C419 VanDerWaalsContact C-N 3.32Å; A417-C419 PolarHBondContact O-N 2.95Å; C419-N422 PolarHBondContact O-N 3.29Å; C419-L423 WeakPolarHBondContact O-CB 3.49Å; C419-L423 VanDerWaalsContact O-CG 3.32Å; C419-L423 WeakPolarHBondContact O-CG 3.49Å; C419-L423 PolarHBondContact O-N 2.78Å
420K63.8Low62.3Low147 Ų14768.4 Ų68.464%0.63935%0.349SS*.Hα-helixtrans-61.9-47.3179.3-173.1-177.7177.9-1750110.9N416 A417 N422 L423 V424N416-K420 WeakPolarHBondContact O-CB 3.48Å; N416-K420 PolarHBondContact O-N 3.15Å; A417-K420 WeakPolarHBondContact O-CB 3.49Å; A417-K420 PolarHBondContact O-N 3.35Å; A417-K420 VanDerWaalsContact O-N 3.14Å; K420-N422 VanDerWaalsContact C-N 3.32Å; K420-N422 PolarHBondContact O-N 3.29Å; K420-L423 WeakPolarHBondContact O-CB 3.44Å; K420-L423 PolarHBondContact O-N 3.31Å; K420-V424 WeakPolarHBondContact O-CG2 3.03Å; K420-V424 PolarHBondContact O-N 2.85Å
421D72Confident61.1Low95 Ų9572 Ų7251%0.50837%0.371SS..Hα-helixtrans-62.1-40.6178.9-68.9-12000111.9A417 V424 K425A417-D421 PolarHBondContact O-N 2.77Å; D421-V424 WeakPolarHBondContact O-CB 3.4Å; D421-V424 PolarHBondContact O-N 3.02Å; D421-K425 WeakPolarHBondContact O-CG 3.47Å; D421-K425 PolarHBondContact O-N 2.64Å
422N61Low60.1Low10 Ų1072 Ų725%0.05337%0.374CS..Hα-helixtrans-73-30.3177.3-66.9-30.9000112.7D406 F407 S410 S418 C419 K420 K425 L426D406-N422 WeakPolarHBondContact CB-ND2 3.22Å; D406-N422 PolarHBondContact O-ND2 3.36Å; F407-N422 HydrophobicContact CB-CB 3.82Å; F407-N422 HydrophobicContact CD2-CB 4.36Å; F407-N422 PolarHBondContact N-ND2 3.25Å; S410-N422 PolarHBondContact OG-ND2 3.11Å; S418-N422 WeakPolarHBondContact O-CB 3.42Å; S418-N422 PolarHBondContact O-N 3.19Å; S418-N422 PolarHBondContact O-ND2 3.39Å; S418-N422 VanDerWaalsContact O-ND2 3.08Å; C419-N422 PolarHBondContact O-N 3.29Å; K420-N422 VanDerWaalsContact C-N 3.32Å; K420-N422 PolarHBondContact O-N 3.29Å; N422-K425 PolarHBondContact O-N 3.3Å; N422-K425 PolarHBondContact OD1-NZ 2.96Å; N422-L426 WeakPolarHBondContact O-CB 2.85Å; N422-L426 WeakPolarHBondContact O-CG 3.25Å; N422-L426 PolarHBondContact O-N 2.79Å
423L58.8Low58.7Low32 Ų3265.1 Ų65.117%0.16834%0.344CS..Hα-helixtrans-65-42.4170.3-79168.6000111.7V218 A222 L225 F407 C419 K420 L426 A427V218-L423 HydrophobicContact CG1-CD1 4.02Å; A222-L423 HydrophobicContact CB-CD1 4.48Å; A222-L423 HydrophobicContact CB-CD2 3.73Å; L225-L423 HydrophobicContact CD2-CD2 4.33Å; F407-L423 HydrophobicContact CD2-CD1 4.44Å; F407-L423 HydrophobicContact CD2-CD2 4Å; F407-L423 HydrophobicContact CD2-CG 3.7Å; F407-L423 HydrophobicContact CE2-CD1 3.71Å; F407-L423 HydrophobicContact CE2-CD2 3.68Å; F407-L423 HydrophobicContact CE2-CG 3.41Å; F407-L423 VanDerWaalsContact CE2-CG 3.41Å; F407-L423 HydrophobicContact CZ-CD1 4.44Å; F407-L423 HydrophobicContact CZ-CD2 4.13Å; F407-L423 HydrophobicContact CZ-CG 4.29Å; C419-L423 WeakPolarHBondContact O-CB 3.49Å; C419-L423 VanDerWaalsContact O-CG 3.32Å; C419-L423 WeakPolarHBondContact O-CG 3.49Å; C419-L423 PolarHBondContact O-N 2.78Å; K420-L423 WeakPolarHBondContact O-CB 3.44Å; K420-L423 PolarHBondContact O-N 3.31Å; L423-L426 PolarHBondContact O-N 3.33Å; L423-A427 VanDerWaalsContact O-CB 3.25Å; L423-A427 WeakPolarHBondContact O-CB 3.14Å; L423-A427 PolarHBondContact O-N 3.06Å
424V61.1Low56.9Low71 Ų7161 Ų6143%0.4334%0.342SS..Hα-helixtrans-57.6-50.2172.6170.90000109.5K420 D421 L426 A427 T428 E433K420-V424 WeakPolarHBondContact O-CG2 3.03Å; K420-V424 PolarHBondContact O-N 2.85Å; D421-V424 WeakPolarHBondContact O-CB 3.4Å; D421-V424 PolarHBondContact O-N 3.02Å; V424-L426 PolarHBondContact O-N 3.47Å; V424-A427 WeakPolarHBondContact O-CA 3.43Å; V424-A427 WeakPolarHBondContact O-CB 3.49Å; V424-A427 PolarHBondContact O-N 3.14Å; V424-A427 VanDerWaalsContact O-N 3.11Å; V424-T428 PolarHBondContact O-N 3.37Å; V424-E433 WeakPolarHBondContact CG1-OE1 3.33Å; V424-E433 VanDerWaalsContact O-OE1 3.11Å
425K64.8Low55.3Low100 Ų10058.7 Ų58.744%0.43533%0.329SS..Hα-helixtrans-57.6-44.7174.6-68.3173.9-168.4165.40113A403 D421 N422 A427 T428 F429A403-K425 HydrophobicContact CB-CB 4.19Å; D421-K425 WeakPolarHBondContact O-CG 3.47Å; D421-K425 PolarHBondContact O-N 2.64Å; N422-K425 PolarHBondContact O-N 3.3Å; N422-K425 PolarHBondContact OD1-NZ 2.96Å; K425-A427 VanDerWaalsContact C-N 3.28Å; K425-A427 PolarHBondContact O-N 2.82Å; K425-T428 WeakPolarHBondContact O-CB 3.44Å; K425-T428 PolarHBondContact O-N 3.4Å; K425-T428 VanDerWaalsContact O-N 3.13Å; K425-T428 PolarHBondContact O-OG1 2.95Å; K425-F429 WeakPolarHBondContact O-CD2 3.21Å; K425-F429 WeakPolarHBondContact O-CE2 3.48Å
426L57.1Low53.2Low11 Ų1159.5 Ų59.56%0.05833%0.333CS..Hα-helixtrans-62.9-39.2177.1-78.8169.9000111.7K400 A403 S404 F407 N422 L423 V424 T428 F429 S430K400-L426 HydrophobicContact CG-CD2 4.35Å; A403-L426 HydrophobicContact CB-CD2 3.72Å; A403-L426 HydrophobicContact CB-CG 3.88Å; S404-L426 WeakPolarHBondContact OG-CD2 3.39Å; F407-L426 HydrophobicContact CB-CD1 3.88Å; F407-L426 HydrophobicContact CG-CD1 4.11Å; N422-L426 WeakPolarHBondContact O-CB 2.85Å; N422-L426 WeakPolarHBondContact O-CG 3.25Å; N422-L426 PolarHBondContact O-N 2.79Å; L423-L426 PolarHBondContact O-N 3.33Å; V424-L426 PolarHBondContact O-N 3.47Å; L426-T428 PolarHBondContact O-N 3.41Å; L426-F429 PolarHBondContact O-N 3.44Å; L426-F429 VanDerWaalsContact O-N 3.15Å; L426-S430 PolarHBondContact O-N 3.35Å
427A50.7Low51.6Low4 Ų460.1 Ų60.13%0.03333%0.331CS..Hα-helixtrans-62.4-33.1175.500000110.7L225 L423 V424 K425 F429 S430 E433L225-A427 HydrophobicContact CD2-CB 4.38Å; L423-A427 VanDerWaalsContact O-CB 3.25Å; L423-A427 WeakPolarHBondContact O-CB 3.14Å; L423-A427 PolarHBondContact O-N 3.06Å; V424-A427 WeakPolarHBondContact O-CA 3.43Å; V424-A427 WeakPolarHBondContact O-CB 3.49Å; V424-A427 PolarHBondContact O-N 3.14Å; V424-A427 VanDerWaalsContact O-N 3.11Å; K425-A427 VanDerWaalsContact C-N 3.28Å; K425-A427 PolarHBondContact O-N 2.82Å; A427-F429 PolarHBondContact O-N 2.94Å; A427-F429 VanDerWaalsContact O-N 3.1Å; A427-S430 CarbonylContact O-C 3.54Å; A427-S430 WeakPolarHBondContact O-CA 3.36Å; A427-S430 WeakPolarHBondContact O-CB 3.44Å; A427-S430 PolarHBondContact O-N 2.88Å; A427-E433 HydrophobicContact CB-CB 3.63Å; A427-E433 HydrophobicContact CB-CG 3.81Å; A427-E433 WeakPolarHBondContact O-CB 3.44Å
428T53Low49.8Very low60 Ų6062.6 Ų62.637%0.36833%0.328SS..Hα-helixtrans-54.8-30.3174.674.40000113.4V424 K425 L426 E433V424-T428 PolarHBondContact O-N 3.37Å; K425-T428 WeakPolarHBondContact O-CB 3.44Å; K425-T428 PolarHBondContact O-N 3.4Å; K425-T428 VanDerWaalsContact O-N 3.13Å; K425-T428 PolarHBondContact O-OG1 2.95Å; L426-T428 PolarHBondContact O-N 3.41Å; T428-E433 WeakPolarHBondContact CA-OE2 3.21Å; T428-E433 VanDerWaalsContact CB-OE2 3.28Å; T428-E433 WeakPolarHBondContact CB-OE2 3.37Å; T428-E433 WeakPolarHBondContact CG2-OE2 3.35Å; T428-E433 PolarHBondContact N-OE2 2.74Å
429F54.2Low48Very low59 Ų5964.3 Ų64.326%0.25933%0.334SS..THydrogen-bonded Turntrans-88.7-9.7178.3-55-71.4000112.8H396 R399 K400 A403 K425 L426 A427H396-F429 HydrophobicContact CB-CD1 4.32Å; H396-F429 HydrophobicContact CB-CE1 4.44Å; R399-F429 HydrophobicContact CB-CE1 3.72Å; R399-F429 HydrophobicContact CB-CE2 4.32Å; R399-F429 HydrophobicContact CB-CZ 3.41Å; R399-F429 VanDerWaalsContact CB-CZ 3.41Å; K400-F429 HydrophobicContact CB-CB 4.34Å; K400-F429 HydrophobicContact CB-CD1 4.39Å; K400-F429 HydrophobicContact CB-CD2 3.95Å; K400-F429 HydrophobicContact CB-CE2 4.43Å; K400-F429 HydrophobicContact CB-CG 3.95Å; K400-F429 HydrophobicContact CD-CB 4.22Å; K400-F429 HydrophobicContact CG-CB 4.3Å; K400-F429 HydrophobicContact CG-CD2 4.31Å; K400-F429 HydrophobicContact CG-CG 4.36Å; A403-F429 HydrophobicContact CB-CE2 4.31Å; K425-F429 WeakPolarHBondContact O-CD2 3.21Å; K425-F429 WeakPolarHBondContact O-CE2 3.48Å; L426-F429 PolarHBondContact O-N 3.44Å; L426-F429 VanDerWaalsContact O-N 3.15Å; A427-F429 PolarHBondContact O-N 2.94Å; A427-F429 VanDerWaalsContact O-N 3.1Å
430S45.6Very low46.7Very low19 Ų1969.3 Ų69.313%0.13336%0.359CS..SBendtrans-93.8140.7170.9-176.30000108.9L426 A427 L432 E433L426-S430 PolarHBondContact O-N 3.35Å; A427-S430 CarbonylContact O-C 3.54Å; A427-S430 WeakPolarHBondContact O-CA 3.36Å; A427-S430 WeakPolarHBondContact O-CB 3.44Å; A427-S430 PolarHBondContact O-N 2.88Å; S430-L432 PolarHBondContact O-N 3.35Å; S430-L432 VanDerWaalsContact OG-CB 3.3Å; S430-L432 WeakPolarHBondContact OG-CB 3.38Å; S430-L432 PolarHBondContact OG-N 3.35Å; S430-E433 PolarHBondContact O-N 3.12Å; S430-E433 VanDerWaalsContact O-N 3.14Å
431P42.1Very low45.3Very low87 Ų8772 Ų7257%0.56537%0.365SS*.Hα-helixtrans-49.8-22.4166.5-24.533.4000112.9E433 A434P431-E433 VanDerWaalsContact C-N 3.26Å; P431-E433 PolarHBondContact O-N 3Å; P431-A434 PolarHBondContact O-N 3.15Å
432L35.4Very low43.6Very low66 Ų6673.3 Ų73.335%0.34637%0.371SS..Hα-helixtrans-62.5-16.2178.6-144.987000115.5L225 S430 K435 L436L225-L432 HydrophobicContact CD1-CD2 3.53Å; S430-L432 PolarHBondContact O-N 3.35Å; S430-L432 VanDerWaalsContact OG-CB 3.3Å; S430-L432 WeakPolarHBondContact OG-CB 3.38Å; S430-L432 PolarHBondContact OG-N 3.35Å; L432-K435 HydrophobicContact CD1-CD 4.26Å; L432-K435 HydrophobicContact CG-CD 4.42Å; L432-K435 VanDerWaalsContact O-CB 3.29Å; L432-K435 WeakPolarHBondContact O-CB 3.34Å; L432-L436 PolarHBondContact O-N 2.88Å
433E33.9Very low42.3Very low10 Ų1081 Ų815%0.04741%0.407CS..Hα-helixtrans-105.4-13.8177.7-151.5-143.8-154.200115.9V424 A427 T428 S430 P431 K435 L436 K437V424-E433 WeakPolarHBondContact CG1-OE1 3.33Å; V424-E433 VanDerWaalsContact O-OE1 3.11Å; A427-E433 HydrophobicContact CB-CB 3.63Å; A427-E433 HydrophobicContact CB-CG 3.81Å; A427-E433 WeakPolarHBondContact O-CB 3.44Å; T428-E433 WeakPolarHBondContact CA-OE2 3.21Å; T428-E433 VanDerWaalsContact CB-OE2 3.28Å; T428-E433 WeakPolarHBondContact CB-OE2 3.37Å; T428-E433 WeakPolarHBondContact CG2-OE2 3.35Å; T428-E433 PolarHBondContact N-OE2 2.74Å; S430-E433 PolarHBondContact O-N 3.12Å; S430-E433 VanDerWaalsContact O-N 3.14Å; P431-E433 VanDerWaalsContact C-N 3.26Å; P431-E433 PolarHBondContact O-N 3Å; E433-K435 PolarHBondContact O-N 2.99Å; E433-L436 HydrophobicContact CB-CB 4.46Å; E433-L436 HydrophobicContact CG-CB 3.78Å; E433-L436 HydrophobicContact CG-CD1 4.48Å; E433-L436 PolarHBondContact O-N 3.01Å; E433-L436 VanDerWaalsContact O-N 3.1Å; E433-K437 PolarHBondContact O-N 2.99Å; E433-K437 IonicContact OE2-NZ 2.67Å
434A37.8Very low41.1Very low82 Ų8285.3 Ų85.368%0.67846%0.46SS*.Hα-helixtrans-50.9-37.2153.600000109.3P431 Y438P431-A434 PolarHBondContact O-N 3.15Å; A434-Y438 WeakPolarHBondContact O-CB 3.28Å; A434-Y438 PolarHBondContact O-N 3.37Å
435K37.3Very low40.1Very low99 Ų9986.1 Ų86.143%0.4346%0.461SS..Hα-helixtrans-75.7-24176.1173.8-177.1-165.7170.30115.9E5 L432 E433 N439E5-K435 IonicContact OE1-NZ 3.66Å; L432-K435 HydrophobicContact CD1-CD 4.26Å; L432-K435 HydrophobicContact CG-CD 4.42Å; L432-K435 VanDerWaalsContact O-CB 3.29Å; L432-K435 WeakPolarHBondContact O-CB 3.34Å; E433-K435 PolarHBondContact O-N 2.99Å; K435-N439 PolarHBondContact O-ND2 2.91Å
436L28.7Very low38.8Very low82 Ų8285.3 Ų85.343%0.42946%0.462SS..Hα-helixtrans-95.2-39177-82.7164.1000112.9L432 E433 Y438 N439 L440L432-L436 PolarHBondContact O-N 2.88Å; E433-L436 HydrophobicContact CB-CB 4.46Å; E433-L436 HydrophobicContact CG-CB 3.78Å; E433-L436 HydrophobicContact CG-CD1 4.48Å; E433-L436 PolarHBondContact O-N 3.01Å; E433-L436 VanDerWaalsContact O-N 3.1Å; L436-Y438 VanDerWaalsContact C-N 3.3Å; L436-Y438 PolarHBondContact O-N 3.25Å; L436-N439 PolarHBondContact O-N 3.23Å; L436-L440 PolarHBondContact O-N 3.38Å
437K31.3Very low37.7Very low115 Ų11589.4 Ų89.450%0.549%0.485SS..Hα-helixtrans-64.8-33.8175-97.8177.7177.5161.10112.8E433 R441E433-K437 PolarHBondContact O-N 2.99Å; E433-K437 IonicContact OE2-NZ 2.67Å; K437-R441 WeakPolarHBondContact O-CG 3.41Å; K437-R441 PolarHBondContact O-N 3.2Å
438Y34.9Very low37Very low116 Ų11694.5 Ų94.546%0.45551%0.511SS..Hα-helixtrans-68.6-41.8176.6-169-95.4000111.8A434 L436 L442A434-Y438 WeakPolarHBondContact O-CB 3.28Å; A434-Y438 PolarHBondContact O-N 3.37Å; L436-Y438 VanDerWaalsContact C-N 3.3Å; L436-Y438 PolarHBondContact O-N 3.25Å; Y438-L442 HydrophobicContact CD1-CD1 4.27Å; Y438-L442 HydrophobicContact CE1-CD1 3.94Å
439N29.3Very low36Very low75 Ų7596.6 Ų96.640%0.40152%0.52SS..Hα-helixtrans-71.6-38.4178.9-71.6-42.2000112.8K435 L436 R441 L442K435-N439 PolarHBondContact O-ND2 2.91Å; L436-N439 PolarHBondContact O-N 3.23Å; N439-R441 VanDerWaalsContact C-N 3.33Å; N439-R441 PolarHBondContact O-N 3.23Å; N439-L442 PolarHBondContact O-N 3.21Å
440L29Very low34.8Very low115 Ų11599.1 Ų99.160%0.60254%0.538SS*.Hα-helixtrans-73.9-20.1178.7-77.1166000114L436 L442L436-L440 PolarHBondContact O-N 3.38Å; L440-L442 VanDerWaalsContact C-N 3.25Å
441R33.3Very low34Very low203 Ų203104.9 Ų104.977%0.76657%0.567SS**THydrogen-bonded Turntrans-76.4-10.3170.9-81.9-176.2-179.8-177.60.5113.7K437 N439K437-R441 WeakPolarHBondContact O-CG 3.41Å; K437-R441 PolarHBondContact O-N 3.2Å; N439-R441 VanDerWaalsContact C-N 3.33Å; N439-R441 PolarHBondContact O-N 3.23Å
442L36.6Very low33.4Very low123 Ų123106.2 Ų106.264%0.64457%0.567SS**THydrogen-bonded Turntrans-99.1-6.2177.7-68.1170.3000112.9Y438 N439 L440Y438-L442 HydrophobicContact CD1-CD1 4.27Å; Y438-L442 HydrophobicContact CE1-CD1 3.94Å; N439-L442 PolarHBondContact O-N 3.21Å; L440-L442 VanDerWaalsContact C-N 3.25Å
443E34.1Very low33.2Very low172 Ų172109.6 Ų109.680%0.80459%0.585SS**  trans-106.40.1176.9-69-170.7166.900114.1
444G32Very low33.1Very low123 Ų123118.6 Ų118.6100%1.26863%0.634SS**  trans-115.9016800000110.2

Retrieved 444 of 444 residues in 292.9 ms (Link to these results)

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