A0A077Z7T5_TRITR Loading...

SCAN domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A077Z7T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 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
1M90Very high92.7Very high61 Ų6170.7 Ų70.730%0.336%0.363SS..  0129.20174.4166.136.900107.7Y3 M16 F18 A19 A350 R353 F354M1-Y3 HydrophobicContact CG-CD2 4.26Å; M1-Y3 HydrophobicContact CG-CE2 3.76Å; M1-Y3 HydrophobicContact SD-CE2 3.75Å; M1-M16 HydrophobicContact CG-CE 3.73Å; M1-M16 HydrophobicContact SD-CE 3.23Å; M1-M16 WeakPolarHBondContact SD-CE 3.35Å; M1-F18 WeakPolarHBondContact CA-O 3.44Å; M1-A19 HydrophobicContact CB-CB 4.32Å; M1-A19 HydrophobicContact CG-CB 4.42Å; M1-A350 HydrophobicContact CE-CB 4.38Å; M1-A350 VanDerWaalsContact CE-O 3.29Å; M1-A350 WeakPolarHBondContact CE-O 3.33Å; M1-R353 HydrophobicContact CE-CB 3.88Å; M1-R353 HydrophobicContact SD-CB 3.82Å; M1-F354 HydrophobicContact CB-CE2 4.28Å; M1-F354 HydrophobicContact CB-CZ 4.43Å; M1-F354 HydrophobicContact CE-CD1 4.24Å; M1-F354 HydrophobicContact CE-CD2 3.27Å; M1-F354 HydrophobicContact CE-CE1 4.25Å; M1-F354 HydrophobicContact CE-CE2 3.28Å; M1-F354 HydrophobicContact CE-CG 3.77Å; M1-F354 HydrophobicContact CE-CZ 3.8Å
2V94.1Very high92.6Very high43 Ų4368.6 Ų68.626%0.26136%0.355SS..EExtended strand (participates in β ladder)trans-125.6134.2-175.1-179.90000108.8L17 F18 L35V2-L17 HydrophobicContact CB-CB 4.45Å; V2-L17 HydrophobicContact CG1-CB 4.21Å; V2-L17 HydrophobicContact CG1-CD2 4.11Å; V2-L17 PolarHBondContact O-N 3.19Å; V2-F18 HydrophobicContact CB-CD1 4.29Å; V2-F18 HydrophobicContact CB-CE1 4Å; V2-F18 HydrophobicContact CB-CZ 4.12Å; V2-F18 HydrophobicContact CG1-CE1 4.44Å; V2-F18 HydrophobicContact CG2-CE1 3.9Å; V2-F18 HydrophobicContact CG2-CE2 3.89Å; V2-F18 HydrophobicContact CG2-CZ 3.52Å; V2-F18 PolarHBondContact N-O 2.78Å; V2-F18 PolarHBondContact O-N 2.77Å; V2-L35 HydrophobicContact CG1-CD1 4.34Å; V2-L35 HydrophobicContact CG2-CD1 4.45Å
3Y94.3Very high92.6Very high41 Ų4166.6 Ų66.616%0.16135%0.348CS..EExtended strand (participates in β ladder)trans-112.5148.4170.4-75.6-96.5000109.1M1 E15 M16 L349 A350 R353M1-Y3 HydrophobicContact CG-CD2 4.26Å; M1-Y3 HydrophobicContact CG-CE2 3.76Å; M1-Y3 HydrophobicContact SD-CE2 3.75Å; Y3-E15 CarbonylContact C-O 3.46Å; Y3-E15 VanDerWaalsContact CA-O 3.27Å; Y3-E15 WeakPolarHBondContact CA-O 3.5Å; Y3-E15 VanDerWaalsContact CD1-C 3.48Å; Y3-E15 WeakPolarHBondContact CD1-O 3.45Å; Y3-M16 HydrophobicContact CD1-CB 4.15Å; Y3-M16 HydrophobicContact CE1-CB 3.83Å; Y3-M16 HydrophobicContact CE1-CE 4.44Å; Y3-M16 HydrophobicContact CE2-CE 4.12Å; Y3-M16 WeakPolarHBondContact OH-CE 3.47Å; Y3-L349 HydrophobicContact CD1-CB 3.93Å; Y3-L349 HydrophobicContact CD1-CD1 3.59Å; Y3-L349 HydrophobicContact CD1-CG 4.38Å; Y3-L349 HydrophobicContact CD2-CB 3.84Å; Y3-L349 HydrophobicContact CE1-CB 3.97Å; Y3-L349 HydrophobicContact CE1-CD1 4.17Å; Y3-L349 HydrophobicContact CE2-CB 3.88Å; Y3-L349 HydrophobicContact CG-CB 3.85Å; Y3-L349 HydrophobicContact CG-CD1 3.85Å; Y3-L349 PolarHBondContact OH-O 3.35Å; Y3-A350 HydrophobicContact CD2-CB 4.37Å; Y3-A350 HydrophobicContact CE2-CB 4.32Å; Y3-R353 WeakPolarHBondContact OH-CD 3.47Å; Y3-R353 WeakPolarHBondContact OH-CG 3.49Å; Y3-R353 PolarHBondContact OH-NE 2.92Å; Y3-R353 VanDerWaalsContact OH-NE 3.17Å
4V94.9Very high92.7Very high32 Ų3264.9 Ų64.919%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-118146.3175.664.10000109.3F6 Q14 E15 L17V4-F6 HydrophobicContact CG1-CD1 3.94Å; V4-F6 HydrophobicContact CG1-CE1 4.01Å; V4-F6 HydrophobicContact CG2-CD1 4.15Å; V4-Q14 WeakPolarHBondContact O-CA 3.41Å; V4-E15 HydrophobicContact CG1-CG 3.63Å; V4-E15 PolarHBondContact N-O 3.1Å; V4-E15 PolarHBondContact O-N 3.35Å; V4-E15 VanDerWaalsContact O-N 3.08Å; V4-L17 HydrophobicContact CB-CB 4.31Å; V4-L17 HydrophobicContact CB-CD1 4.49Å; V4-L17 HydrophobicContact CG1-CB 4.21Å; V4-L17 HydrophobicContact CG1-CD1 4.14Å
5R94.2Very high92.7Very high22 Ų2266.7 Ų66.78%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-121.7127.4168.7-174.9-178.9-74.3175.9-2.8108V12 V13 Q14 L206 L341 L342 A343 F344R5-V12 VanDerWaalsContact CD-CG1 3.44Å; R5-V12 HydrophobicContact CG-CG1 3.36Å; R5-V13 VanDerWaalsContact CA-O 3.29Å; R5-V13 WeakPolarHBondContact CA-O 3.36Å; R5-Q14 HydrophobicContact CB-CG 4.42Å; R5-Q14 HydrophobicContact CG-CG 4.12Å; R5-Q14 VanDerWaalsContact CZ-NE2 3.29Å; R5-Q14 VanDerWaalsContact NE-NE2 3.13Å; R5-L206 VanDerWaalsContact CZ-O 3.24Å; R5-L206 PolarHBondContact NH1-O 3.38Å; R5-L206 PolarHBondContact NH2-O 3.45Å; R5-L341 PolarHBondContact NH1-O 3.18Å; R5-L342 WeakPolarHBondContact CD-O 3.3Å; R5-A343 PolarHBondContact NH1-O 2.72Å; R5-F344 HydrophobicContact CB-CD2 4.14Å; R5-F344 HydrophobicContact CB-CE1 4.19Å; R5-F344 HydrophobicContact CB-CE2 3.45Å; R5-F344 VanDerWaalsContact CB-CE2 3.45Å; R5-F344 HydrophobicContact CB-CZ 3.49Å; R5-F344 VanDerWaalsContact CB-CZ 3.49Å; R5-F344 HydrophobicContact CG-CZ 4.49Å
6F93.7Very high92.7Very high63 Ų6365.8 Ų65.828%0.27634%0.338SS..EExtended strand (participates in β ladder)trans-150.1175.3-178.163-81.8000110.2V4 K8 V13 E15V4-F6 HydrophobicContact CG1-CD1 3.94Å; V4-F6 HydrophobicContact CG1-CE1 4.01Å; V4-F6 HydrophobicContact CG2-CD1 4.15Å; F6-K8 HydrophobicContact CD2-CB 4.36Å; F6-K8 HydrophobicContact CE2-CB 3.97Å; F6-K8 HydrophobicContact CE2-CD 4.4Å; F6-V13 HydrophobicContact CE1-CB 4.32Å; F6-V13 HydrophobicContact CE1-CG1 4.17Å; F6-V13 HydrophobicContact CE2-CB 4.34Å; F6-V13 HydrophobicContact CZ-CB 4.12Å; F6-V13 HydrophobicContact CZ-CG1 3.96Å; F6-V13 PolarHBondContact N-O 3.16Å; F6-V13 PolarHBondContact O-N 3.27Å; F6-E15 HydrophobicContact CE1-CG 3.87Å; F6-E15 WeakPolarHBondContact CE1-OE1 3.41Å
7I91.9Very high92.8Very high56 Ų5664.1 Ų64.129%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-103.3129.2-178.9-55.9173000108.8Q11 L322 W334 L342I7-Q11 WeakPolarHBondContact CA-O 3.26Å; I7-L322 HydrophobicContact CD1-CD2 3.58Å; I7-L322 HydrophobicContact CG1-CD2 3.82Å; I7-W334 HydrophobicContact CD1-CH2 3.31Å; I7-W334 HydrophobicContact CD1-CZ2 3.27Å; I7-L342 HydrophobicContact CD1-CD1 4.12Å; I7-L342 HydrophobicContact CD1-CD2 4.12Å; I7-L342 HydrophobicContact CG1-CD1 4.2Å; I7-L342 HydrophobicContact CG1-CD2 3.73Å
8K92.1Very high93Very high140 Ų14061.7 Ų61.761%0.60932%0.317SS*.EExtended strand (participates in β ladder)trans-138.4124.4172.5-174.4179.1-179.6178.10108.1F6 E10 Q11 V13F6-K8 HydrophobicContact CD2-CB 4.36Å; F6-K8 HydrophobicContact CE2-CB 3.97Å; F6-K8 HydrophobicContact CE2-CD 4.4Å; K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.29Å; K8-Q11 PolarHBondContact N-O 3.44Å; K8-Q11 PolarHBondContact O-N 3.24Å; K8-Q11 VanDerWaalsContact O-N 3.13Å; K8-V13 HydrophobicContact CB-CG2 3.86Å
9A91.8Very high93Very high91 Ų9162.1 Ų62.175%0.75233%0.33SS*.THydrogen-bonded Turntrans49.950.8-177.600000112.8Q11A9-Q11 PolarHBondContact O-N 3.18Å; A9-Q11 VanDerWaalsContact O-N 3.07Å
10E91.4Very high92.9Very high91 Ų9163.4 Ų63.443%0.42533%0.332SS..THydrogen-bonded Turntrans60.616.8178.3-49.3-173.4151.600115K8 L322 Q323 R324K8-E10 VanDerWaalsContact C-N 3.32Å; K8-E10 PolarHBondContact O-N 3.29Å; E10-L322 WeakPolarHBondContact CA-O 3.45Å; E10-L322 WeakPolarHBondContact CB-O 3.44Å; E10-L322 VanDerWaalsContact O-CB 3.31Å; E10-L322 WeakPolarHBondContact O-CB 3.47Å; E10-Q323 WeakPolarHBondContact OE1-CA 3.15Å; E10-R324 HydrophobicContact CG-CB 4.31Å; E10-R324 WeakPolarHBondContact OE1-CB 2.78Å; E10-R324 PolarHBondContact OE1-N 3.37Å
11Q91.2Very high92.8Very high138 Ų13868.5 Ų68.565%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-121.7146.9176.1-65.9-172.7-11.200111I7 K8 A9 V13I7-Q11 WeakPolarHBondContact CA-O 3.26Å; K8-Q11 PolarHBondContact N-O 3.44Å; K8-Q11 PolarHBondContact O-N 3.24Å; K8-Q11 VanDerWaalsContact O-N 3.13Å; A9-Q11 PolarHBondContact O-N 3.18Å; A9-Q11 VanDerWaalsContact O-N 3.07Å; Q11-V13 PolarHBondContact O-N 3.35Å
12V92.1Very high92.9Very high45 Ų4568.5 Ų68.527%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-75.1119.2170.4173.30000108.6R5 L322 L342R5-V12 VanDerWaalsContact CD-CG1 3.44Å; R5-V12 HydrophobicContact CG-CG1 3.36Å; V12-L322 HydrophobicContact CG2-CD1 3.72Å; V12-L322 HydrophobicContact CG2-CD2 3.73Å; V12-L322 HydrophobicContact CG2-CG 4.38Å; V12-L342 HydrophobicContact CG2-CD2 4.05Å
13V92.6Very high92.6Very high43 Ų4374.3 Ų74.326%0.26138%0.384SS..EExtended strand (participates in β ladder)trans-108.4139.8174.5-1800000109R5 F6 K8 Q11R5-V13 VanDerWaalsContact CA-O 3.29Å; R5-V13 WeakPolarHBondContact CA-O 3.36Å; F6-V13 HydrophobicContact CE1-CB 4.32Å; F6-V13 HydrophobicContact CE1-CG1 4.17Å; F6-V13 HydrophobicContact CE2-CB 4.34Å; F6-V13 HydrophobicContact CZ-CB 4.12Å; F6-V13 HydrophobicContact CZ-CG1 3.96Å; F6-V13 PolarHBondContact N-O 3.16Å; F6-V13 PolarHBondContact O-N 3.27Å; K8-V13 HydrophobicContact CB-CG2 3.86Å; Q11-V13 PolarHBondContact O-N 3.35Å
14Q93.2Very high92.2Very high42 Ų4278 Ų7820%0.19641%0.41CS..EExtended strand (participates in β ladder)trans-122128.4174.3-58.1179.210.800109.5V4 R5 D204 F344 L349V4-Q14 WeakPolarHBondContact O-CA 3.41Å; R5-Q14 HydrophobicContact CB-CG 4.42Å; R5-Q14 HydrophobicContact CG-CG 4.12Å; R5-Q14 VanDerWaalsContact CZ-NE2 3.29Å; R5-Q14 VanDerWaalsContact NE-NE2 3.13Å; Q14-D204 VanDerWaalsContact NE2-C 3.35Å; Q14-D204 PolarHBondContact NE2-O 3.5Å; Q14-F344 HydrophobicContact CG-CE1 4.13Å; Q14-F344 HydrophobicContact CG-CZ 4.25Å; Q14-L349 HydrophobicContact CB-CD1 4.21Å
15E92.4Very high92.1Very high93 Ų9378.4 Ų78.444%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-146.3159.9177.771.5-169.3-175.100112Y3 V4 F6 L17Y3-E15 CarbonylContact C-O 3.46Å; Y3-E15 VanDerWaalsContact CA-O 3.27Å; Y3-E15 WeakPolarHBondContact CA-O 3.5Å; Y3-E15 VanDerWaalsContact CD1-C 3.48Å; Y3-E15 WeakPolarHBondContact CD1-O 3.45Å; V4-E15 HydrophobicContact CG1-CG 3.63Å; V4-E15 PolarHBondContact N-O 3.1Å; V4-E15 PolarHBondContact O-N 3.35Å; V4-E15 VanDerWaalsContact O-N 3.08Å; F6-E15 HydrophobicContact CE1-CG 3.87Å; F6-E15 WeakPolarHBondContact CE1-OE1 3.41Å; E15-L17 PolarHBondContact O-N 3.19Å
16M93.6Very high91.9Very high52 Ų5282.2 Ų82.226%0.25644%0.437SS..EExtended strand (participates in β ladder)trans-72.2118.6170.2174.3175.2-68.600108.2M1 Y3 A19 R353M1-M16 HydrophobicContact CG-CE 3.73Å; M1-M16 HydrophobicContact SD-CE 3.23Å; M1-M16 WeakPolarHBondContact SD-CE 3.35Å; Y3-M16 HydrophobicContact CD1-CB 4.15Å; Y3-M16 HydrophobicContact CE1-CB 3.83Å; Y3-M16 HydrophobicContact CE1-CE 4.44Å; Y3-M16 HydrophobicContact CE2-CE 4.12Å; Y3-M16 WeakPolarHBondContact OH-CE 3.47Å; M16-A19 HydrophobicContact SD-CB 4.17Å; M16-R353 VanDerWaalsContact CE-CD 3.42Å; M16-R353 VanDerWaalsContact CE-CZ 3.46Å
17L94.9Very high92Very high36 Ų3686 Ų8619%0.18845%0.45CS..EExtended strand (participates in β ladder)trans-73.4-52.2174.2-171.267.2000110.1V2 V4 E15 F38 Y39V2-L17 HydrophobicContact CB-CB 4.45Å; V2-L17 HydrophobicContact CG1-CB 4.21Å; V2-L17 HydrophobicContact CG1-CD2 4.11Å; V2-L17 PolarHBondContact O-N 3.19Å; V4-L17 HydrophobicContact CB-CB 4.31Å; V4-L17 HydrophobicContact CB-CD1 4.49Å; V4-L17 HydrophobicContact CG1-CB 4.21Å; V4-L17 HydrophobicContact CG1-CD1 4.14Å; E15-L17 PolarHBondContact O-N 3.19Å; L17-F38 HydrophobicContact CD1-CE1 3.75Å; L17-F38 HydrophobicContact CD1-CZ 4.14Å; L17-F38 HydrophobicContact CD2-CD1 4.14Å; L17-F38 HydrophobicContact CD2-CE1 3.82Å; L17-F38 HydrophobicContact CG-CD1 4.28Å; L17-F38 HydrophobicContact CG-CE1 3.52Å; L17-F38 HydrophobicContact CG-CZ 3.92Å; L17-Y39 HydrophobicContact CD2-CE2 3.7Å
18F95.2Very high92.1Very high22 Ų2283.3 Ų83.310%0.09644%0.436CS..EExtended strand (participates in β ladder)trans-163.3165.317265.3-93.3000113.1M1 V2 K20 V34 L35 F38M1-F18 WeakPolarHBondContact CA-O 3.44Å; V2-F18 HydrophobicContact CB-CD1 4.29Å; V2-F18 HydrophobicContact CB-CE1 4Å; V2-F18 HydrophobicContact CB-CZ 4.12Å; V2-F18 HydrophobicContact CG1-CE1 4.44Å; V2-F18 HydrophobicContact CG2-CE1 3.9Å; V2-F18 HydrophobicContact CG2-CE2 3.89Å; V2-F18 HydrophobicContact CG2-CZ 3.52Å; V2-F18 PolarHBondContact N-O 2.78Å; V2-F18 PolarHBondContact O-N 2.77Å; F18-K20 HydrophobicContact CD2-CB 4Å; F18-K20 HydrophobicContact CD2-CD 4.16Å; F18-K20 HydrophobicContact CD2-CG 3.75Å; F18-K20 HydrophobicContact CE2-CB 4.16Å; F18-K20 HydrophobicContact CE2-CD 4.34Å; F18-K20 HydrophobicContact CE2-CG 4.21Å; F18-V34 HydrophobicContact CE2-CG1 3.87Å; F18-V34 HydrophobicContact CZ-CG1 4.3Å; F18-L35 HydrophobicContact CE1-CD1 3.97Å; F18-L35 HydrophobicContact CZ-CD1 4.13Å; F18-F38 HydrophobicContact CB-CD2 3.96Å; F18-F38 HydrophobicContact CB-CE2 3.66Å; F18-F38 HydrophobicContact CB-CZ 4.22Å; F18-F38 HydrophobicContact CD1-CB 4.06Å; F18-F38 AromaticContact CD1-CD1 3.59Å; F18-F38 HydrophobicContact CD1-CD1 3.59Å; F18-F38 AromaticContact CD1-CD2 3.45Å; F18-F38 HydrophobicContact CD1-CD2 3.45Å; F18-F38 VanDerWaalsContact CD1-CD2 3.45Å; F18-F38 AromaticContact CD1-CE1 3.84Å; F18-F38 HydrophobicContact CD1-CE1 3.84Å; F18-F38 AromaticContact CD1-CE2 3.69Å; F18-F38 HydrophobicContact CD1-CE2 3.69Å; F18-F38 AromaticContact CD1-CG 3.39Å; F18-F38 HydrophobicContact CD1-CG 3.39Å; F18-F38 AromaticContact CD1-CZ 3.87Å; F18-F38 HydrophobicContact CD1-CZ 3.87Å; F18-F38 HydrophobicContact CE1-CB 3.75Å; F18-F38 AromaticContact CE1-CD1 3.75Å; F18-F38 HydrophobicContact CE1-CD1 3.75Å; F18-F38 HydrophobicContact CE1-CD2 4.06Å; F18-F38 HydrophobicContact CE1-CE1 4.39Å; F18-F38 AromaticContact CE1-CG 3.56Å; F18-F38 HydrophobicContact CE1-CG 3.56Å; F18-F38 AromaticContact CG-CD2 3.78Å; F18-F38 HydrophobicContact CG-CD2 3.78Å; F18-F38 AromaticContact CG-CE2 3.95Å; F18-F38 HydrophobicContact CG-CE2 3.95Å; F18-F38 HydrophobicContact CG-CG 4.15Å; F18-F38 HydrophobicContact CG-CZ 4.47Å; F18-F38 HydrophobicContact CZ-CB 4.21Å; F18-F38 HydrophobicContact CZ-CG 4.42Å
19A93Very high92.3Very high69 Ų6980.9 Ų80.957%0.5743%0.427SS*.  trans-130.7108.4163.900000108.8M1 M16M1-A19 HydrophobicContact CB-CB 4.32Å; M1-A19 HydrophobicContact CG-CB 4.42Å; M16-A19 HydrophobicContact SD-CB 4.17Å
20K91.9Very high92.6Very high87 Ų8777.3 Ų77.338%0.37840%0.397SS..  trans-113.7145.4175.6-73.9-176.3175.5-1760109.1F18 V34 E41F18-K20 HydrophobicContact CD2-CB 4Å; F18-K20 HydrophobicContact CD2-CD 4.16Å; F18-K20 HydrophobicContact CD2-CG 3.75Å; F18-K20 HydrophobicContact CE2-CB 4.16Å; F18-K20 HydrophobicContact CE2-CD 4.34Å; F18-K20 HydrophobicContact CE2-CG 4.21Å; K20-V34 HydrophobicContact CB-CG1 3.85Å; K20-V34 HydrophobicContact CD-CG1 3.93Å; K20-V34 HydrophobicContact CG-CG1 4.44Å; K20-E41 IonicContact NZ-OE2 2.72Å; K20-E41 PolarHBondContact NZ-OE2 3.44Å
21E89.9Confident92.8Very high172 Ų17274.8 Ų74.880%0.80439%0.386SS*.  trans-76.8145.4170.8-176.6170.8-162.900109.9
22L91.8Very high93Very high61 Ų6169 Ų6932%0.31936%0.358SS..  trans-91.8114.8172-63.6173.6000108T26 I31 V34L22-T26 HydrophobicContact CD1-CG2 4.12Å; L22-I31 HydrophobicContact CD1-CD1 4.47Å; L22-I31 HydrophobicContact CD1-CG1 3.82Å; L22-I31 HydrophobicContact CD2-CG1 4.29Å; L22-V34 HydrophobicContact CD2-CB 4.46Å; L22-V34 HydrophobicContact CD2-CG2 3.89Å
23I88Confident93.2Very high165 Ų16570.3 Ų70.385%0.84636%0.363SS*.SBendtrans-72.1-40.6-169.1-58.4173.9000112.1
24T86.4Confident93.4Very high118 Ų11869.8 Ų69.872%0.72436%0.36SS*.SBendtrans-106.8-63.7-168.250.20000112.4
25D92Very high93.6Very high41 Ų4168.3 Ų68.322%0.21935%0.354CS..  trans-144.9174.8-173.865.758.5000111.7R27 S30D25-R27 HydrophobicContact CB-CG 4.41Å; D25-R27 VanDerWaalsContact CG-NE 3.25Å; D25-R27 WeakPolarHBondContact OD1-CB 3.39Å; D25-R27 VanDerWaalsContact OD1-CG 3.31Å; D25-R27 WeakPolarHBondContact OD1-CG 3.41Å; D25-R27 PolarHBondContact OD1-N 3.31Å; D25-R27 IonicContact OD1-NE 3.74Å; D25-R27 PolarHBondContact OD1-NE 3.44Å; D25-R27 IonicContact OD2-CZ 3.63Å; D25-R27 IonicContact OD2-NE 2.61Å; D25-R27 PolarHBondContact OD2-NE 3.43Å; D25-R27 IonicContact OD2-NH2 3.65Å; D25-R27 PolarHBondContact OD2-NH2 3.28Å; D25-S30 VanDerWaalsContact OD1-CB 3.3Å; D25-S30 WeakPolarHBondContact OD1-CB 3.48Å; D25-S30 PolarHBondContact OD1-OG 3.32Å
26T91.9Very high93.8Very high102 Ų10267.2 Ų67.263%0.62635%0.348SS*.  trans-10727179.253.90000112.1L22 A59L22-T26 HydrophobicContact CD1-CG2 4.12Å; T26-A59 WeakPolarHBondContact O-CB 3.35Å
27R94.6Very high93.9Very high141 Ų14168.5 Ų68.553%0.53236%0.356SS..  trans-70.4152.4177.3-65-176.7-70.9159.9-5.8110.7D25 E29 S30 I31D25-R27 HydrophobicContact CB-CG 4.41Å; D25-R27 VanDerWaalsContact CG-NE 3.25Å; D25-R27 WeakPolarHBondContact OD1-CB 3.39Å; D25-R27 VanDerWaalsContact OD1-CG 3.31Å; D25-R27 WeakPolarHBondContact OD1-CG 3.41Å; D25-R27 PolarHBondContact OD1-N 3.31Å; D25-R27 IonicContact OD1-NE 3.74Å; D25-R27 PolarHBondContact OD1-NE 3.44Å; D25-R27 IonicContact OD2-CZ 3.63Å; D25-R27 IonicContact OD2-NE 2.61Å; D25-R27 PolarHBondContact OD2-NE 3.43Å; D25-R27 IonicContact OD2-NH2 3.65Å; D25-R27 PolarHBondContact OD2-NH2 3.28Å; R27-E29 IonicContact NH1-OE2 3.76Å; R27-E29 PolarHBondContact O-N 3.02Å; R27-S30 PolarHBondContact O-N 3.31Å; R27-S30 VanDerWaalsContact O-N 3.15Å; R27-I31 WeakPolarHBondContact O-CG1 3.39Å; R27-I31 PolarHBondContact O-N 2.96Å; R27-I31 VanDerWaalsContact O-N 3.08Å
28G95.2Very high94Very high1 Ų167.7 Ų67.71%0.0135%0.35CS..Hα-helixtrans-57.7-36.6178.600000113.6I31 F32 A59 F67G28-I31 PolarHBondContact O-N 2.88Å; G28-F32 WeakPolarHBondContact O-CB 3.37Å; G28-F32 PolarHBondContact O-N 2.81Å; G28-A59 WeakPolarHBondContact CA-O 3.26Å; G28-F67 WeakPolarHBondContact O-CA 3.32Å
29E96.1Very high94.1Very high89 Ų8967.6 Ų67.642%0.41635%0.35SS..Hα-helixtrans-60.8-51174-176.4173.7-149.500112R27 I31 F32 L33R27-E29 IonicContact NH1-OE2 3.76Å; R27-E29 PolarHBondContact O-N 3.02Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.31Å; E29-F32 WeakPolarHBondContact O-CB 3.16Å; E29-F32 PolarHBondContact O-N 3.03Å; E29-F32 VanDerWaalsContact O-N 3.09Å; E29-L33 HydrophobicContact CG-CD1 4.26Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.32Å
30S96.4Very high94.3Very high16 Ų1669.8 Ų69.811%0.11235%0.348CS..Hα-helixtrans-60.4-40.7179-51.60000112.1D25 R27 F32 L33 V34D25-S30 VanDerWaalsContact OD1-CB 3.3Å; D25-S30 WeakPolarHBondContact OD1-CB 3.48Å; D25-S30 PolarHBondContact OD1-OG 3.32Å; R27-S30 PolarHBondContact O-N 3.31Å; R27-S30 VanDerWaalsContact O-N 3.15Å; S30-F32 VanDerWaalsContact C-N 3.35Å; S30-L33 PolarHBondContact O-N 3.38Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.4Å; S30-V34 VanDerWaalsContact O-N 3.15Å
31I96.1Very high94.6Very high37 Ų3771 Ų7119%0.1936%0.355CS..Hα-helixtrans-64.1-41.9175.2-62.3168.2000110.7L22 R27 G28 E29 V34 L35 A59 M60 F67L22-I31 HydrophobicContact CD1-CD1 4.47Å; L22-I31 HydrophobicContact CD1-CG1 3.82Å; L22-I31 HydrophobicContact CD2-CG1 4.29Å; R27-I31 WeakPolarHBondContact O-CG1 3.39Å; R27-I31 PolarHBondContact O-N 2.96Å; R27-I31 VanDerWaalsContact O-N 3.08Å; G28-I31 PolarHBondContact O-N 2.88Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.31Å; I31-V34 PolarHBondContact O-N 3.47Å; I31-L35 PolarHBondContact O-N 2.94Å; I31-A59 HydrophobicContact CD1-CB 4.23Å; I31-M60 HydrophobicContact CD1-SD 3.73Å; I31-M60 HydrophobicContact CG2-SD 4.31Å; I31-F67 HydrophobicContact CB-CB 4.39Å; I31-F67 HydrophobicContact CB-CD2 4.23Å; I31-F67 HydrophobicContact CG2-CB 4.26Å; I31-F67 HydrophobicContact CG2-CD2 3.67Å; I31-F67 HydrophobicContact CG2-CE2 4.24Å; I31-F67 HydrophobicContact CG2-CG 4.02Å
32F96.6Very high94.9Very high17 Ų1767.6 Ų67.68%0.07534%0.338CS..Hα-helixtrans-64.6-44.5178167.2-102.9000111.8G28 E29 S30 V34 L35 K36 F67 H70 L71 V74G28-F32 WeakPolarHBondContact O-CB 3.37Å; G28-F32 PolarHBondContact O-N 2.81Å; E29-F32 WeakPolarHBondContact O-CB 3.16Å; E29-F32 PolarHBondContact O-N 3.03Å; E29-F32 VanDerWaalsContact O-N 3.09Å; S30-F32 VanDerWaalsContact C-N 3.35Å; F32-V34 VanDerWaalsContact C-N 3.33Å; F32-V34 PolarHBondContact O-N 2.97Å; F32-L35 WeakPolarHBondContact O-CB 3.13Å; F32-L35 PolarHBondContact O-N 3.24Å; F32-L35 VanDerWaalsContact O-N 3.13Å; F32-K36 HydrophobicContact CE1-CB 4.46Å; F32-K36 HydrophobicContact CE1-CD 4.08Å; F32-K36 HydrophobicContact CZ-CB 4.28Å; F32-K36 HydrophobicContact CZ-CD 4.12Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.24Å; F32-F67 HydrophobicContact CB-CD2 3.87Å; F32-F67 HydrophobicContact CB-CE2 4.39Å; F32-H70 HydrophobicContact CB-CB 3.84Å; F32-H70 HydrophobicContact CD1-CB 3.8Å; F32-H70 HydrophobicContact CD2-CB 4.01Å; F32-H70 HydrophobicContact CE1-CB 4.39Å; F32-H70 HydrophobicContact CG-CB 3.59Å; F32-L71 HydrophobicContact CD2-CB 4.32Å; F32-L71 HydrophobicContact CE2-CD1 4.21Å; F32-V74 HydrophobicContact CE2-CG2 4.37Å; F32-V74 HydrophobicContact CZ-CG2 3.79Å
33L96.3Very high95.2Very high72 Ų7273.3 Ų73.338%0.37736%0.363SS..Hα-helixtrans-59.2-44.4177.6-69.8173.5000111.2E29 S30 L35 K36 D37E29-L33 HydrophobicContact CG-CD1 4.26Å; E29-L33 WeakPolarHBondContact O-CG 3.33Å; E29-L33 PolarHBondContact O-N 3.32Å; S30-L33 PolarHBondContact O-N 3.38Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.03Å; L33-K36 PolarHBondContact O-N 3.48Å; L33-K36 VanDerWaalsContact O-N 3.14Å; L33-D37 WeakPolarHBondContact O-CB 3.22Å; L33-D37 PolarHBondContact O-N 3.01Å
34V96.9Very high95.5Very high33 Ų3368.9 Ų68.920%0.234%0.34CS..Hα-helixtrans-60.3-37.2176.2170.90000112.9F18 K20 L22 S30 I31 F32 F38F18-V34 HydrophobicContact CE2-CG1 3.87Å; F18-V34 HydrophobicContact CZ-CG1 4.3Å; K20-V34 HydrophobicContact CB-CG1 3.85Å; K20-V34 HydrophobicContact CD-CG1 3.93Å; K20-V34 HydrophobicContact CG-CG1 4.44Å; L22-V34 HydrophobicContact CD2-CB 4.46Å; L22-V34 HydrophobicContact CD2-CG2 3.89Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.4Å; S30-V34 VanDerWaalsContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 3.47Å; F32-V34 VanDerWaalsContact C-N 3.33Å; F32-V34 PolarHBondContact O-N 2.97Å; V34-F38 WeakPolarHBondContact O-CB 3.41Å; V34-F38 PolarHBondContact O-N 2.98Å
35L96.6Very high96Very high11 Ų1166.4 Ų66.46%0.05833%0.326CS..Hα-helixtrans-67.5-48.9173.6-178.477.2000111.1V2 F18 I31 F32 L33 F38 Y39 I49 F67 L71V2-L35 HydrophobicContact CG1-CD1 4.34Å; V2-L35 HydrophobicContact CG2-CD1 4.45Å; F18-L35 HydrophobicContact CE1-CD1 3.97Å; F18-L35 HydrophobicContact CZ-CD1 4.13Å; I31-L35 PolarHBondContact O-N 2.94Å; F32-L35 WeakPolarHBondContact O-CB 3.13Å; F32-L35 PolarHBondContact O-N 3.24Å; F32-L35 VanDerWaalsContact O-N 3.13Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.03Å; L35-F38 WeakPolarHBondContact O-CB 3.31Å; L35-F38 PolarHBondContact O-N 3.03Å; L35-Y39 HydrophobicContact CD1-CD2 4.08Å; L35-Y39 HydrophobicContact CD1-CE2 3.74Å; L35-Y39 HydrophobicContact CG-CD2 4.19Å; L35-Y39 HydrophobicContact CG-CE2 4.23Å; L35-Y39 WeakPolarHBondContact O-CD2 3.33Å; L35-Y39 PolarHBondContact O-N 3.49Å; L35-I49 HydrophobicContact CD2-CD1 4.05Å; L35-F67 HydrophobicContact CB-CE2 4.3Å; L35-F67 HydrophobicContact CD2-CE2 3.76Å; L35-F67 HydrophobicContact CD2-CZ 3.8Å; L35-L71 HydrophobicContact CD2-CD1 4.35Å; L35-L71 HydrophobicContact CD2-CD2 4.45Å
36K96.8Very high96.2Very high70 Ų7065.5 Ų65.530%0.30432%0.321SS..Hα-helixtrans-57.9-51-179.5175.8179.1171.8-170.80110.8F32 L33 F38 Y39 E40 L46F32-K36 HydrophobicContact CE1-CB 4.46Å; F32-K36 HydrophobicContact CE1-CD 4.08Å; F32-K36 HydrophobicContact CZ-CB 4.28Å; F32-K36 HydrophobicContact CZ-CD 4.12Å; F32-K36 WeakPolarHBondContact O-CB 3.24Å; F32-K36 PolarHBondContact O-N 3.24Å; L33-K36 PolarHBondContact O-N 3.48Å; L33-K36 VanDerWaalsContact O-N 3.14Å; K36-F38 VanDerWaalsContact C-N 3.25Å; K36-F38 PolarHBondContact O-N 3.26Å; K36-Y39 PolarHBondContact O-N 2.81Å; K36-E40 WeakPolarHBondContact CE-OE1 3.35Å; K36-E40 HydrophobicContact CG-CG 4.43Å; K36-E40 IonicContact NZ-OE1 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.46Å; K36-E40 PolarHBondContact O-N 3.34Å; K36-L46 HydrophobicContact CB-CD1 4.44Å; K36-L46 HydrophobicContact CG-CD1 4.15Å
37D96.5Very high96.3Very high79 Ų7964.9 Ų64.942%0.42232%0.321SS..Hα-helixtrans-58.4-38.9178.9-64-9000111.1L33 E41L33-D37 WeakPolarHBondContact O-CB 3.22Å; L33-D37 PolarHBondContact O-N 3.01Å; D37-E41 WeakPolarHBondContact O-CB 3.25Å; D37-E41 PolarHBondContact O-N 2.83Å
38F97Very high96.2Very high18 Ų1863 Ų638%0.07932%0.322CS..Hα-helixtrans-64.9-43175.2179.4-86.2000112.3L17 F18 V34 L35 K36 E41 K42L17-F38 HydrophobicContact CD1-CE1 3.75Å; L17-F38 HydrophobicContact CD1-CZ 4.14Å; L17-F38 HydrophobicContact CD2-CD1 4.14Å; L17-F38 HydrophobicContact CD2-CE1 3.82Å; L17-F38 HydrophobicContact CG-CD1 4.28Å; L17-F38 HydrophobicContact CG-CE1 3.52Å; L17-F38 HydrophobicContact CG-CZ 3.92Å; F18-F38 HydrophobicContact CB-CD2 3.96Å; F18-F38 HydrophobicContact CB-CE2 3.66Å; F18-F38 HydrophobicContact CB-CZ 4.22Å; F18-F38 HydrophobicContact CD1-CB 4.06Å; F18-F38 AromaticContact CD1-CD1 3.59Å; F18-F38 HydrophobicContact CD1-CD1 3.59Å; F18-F38 AromaticContact CD1-CD2 3.45Å; F18-F38 HydrophobicContact CD1-CD2 3.45Å; F18-F38 VanDerWaalsContact CD1-CD2 3.45Å; F18-F38 AromaticContact CD1-CE1 3.84Å; F18-F38 HydrophobicContact CD1-CE1 3.84Å; F18-F38 AromaticContact CD1-CE2 3.69Å; F18-F38 HydrophobicContact CD1-CE2 3.69Å; F18-F38 AromaticContact CD1-CG 3.39Å; F18-F38 HydrophobicContact CD1-CG 3.39Å; F18-F38 AromaticContact CD1-CZ 3.87Å; F18-F38 HydrophobicContact CD1-CZ 3.87Å; F18-F38 HydrophobicContact CE1-CB 3.75Å; F18-F38 AromaticContact CE1-CD1 3.75Å; F18-F38 HydrophobicContact CE1-CD1 3.75Å; F18-F38 HydrophobicContact CE1-CD2 4.06Å; F18-F38 HydrophobicContact CE1-CE1 4.39Å; F18-F38 AromaticContact CE1-CG 3.56Å; F18-F38 HydrophobicContact CE1-CG 3.56Å; F18-F38 AromaticContact CG-CD2 3.78Å; F18-F38 HydrophobicContact CG-CD2 3.78Å; F18-F38 AromaticContact CG-CE2 3.95Å; F18-F38 HydrophobicContact CG-CE2 3.95Å; F18-F38 HydrophobicContact CG-CG 4.15Å; F18-F38 HydrophobicContact CG-CZ 4.47Å; F18-F38 HydrophobicContact CZ-CB 4.21Å; F18-F38 HydrophobicContact CZ-CG 4.42Å; V34-F38 WeakPolarHBondContact O-CB 3.41Å; V34-F38 PolarHBondContact O-N 2.98Å; L35-F38 WeakPolarHBondContact O-CB 3.31Å; L35-F38 PolarHBondContact O-N 3.03Å; K36-F38 VanDerWaalsContact C-N 3.25Å; K36-F38 PolarHBondContact O-N 3.26Å; F38-E41 PolarHBondContact O-N 2.63Å; F38-K42 HydrophobicContact CD1-CG 4.3Å; F38-K42 HydrophobicContact CE1-CG 3.85Å; F38-K42 HydrophobicContact CE2-CG 4.23Å; F38-K42 HydrophobicContact CZ-CG 3.83Å; F38-K42 WeakPolarHBondContact O-CB 3.4Å; F38-K42 WeakPolarHBondContact O-CG 3.46Å; F38-K42 PolarHBondContact O-N 3.09Å
39Y96.9Very high96.3Very high21 Ų2163.9 Ų63.98%0.08233%0.326CS..Hα-helixtrans-66.9-40.8178.4-90.6-110.1000111.4L17 L35 K36 K42 E43 L44 L46 I49L17-Y39 HydrophobicContact CD2-CE2 3.7Å; L35-Y39 HydrophobicContact CD1-CD2 4.08Å; L35-Y39 HydrophobicContact CD1-CE2 3.74Å; L35-Y39 HydrophobicContact CG-CD2 4.19Å; L35-Y39 HydrophobicContact CG-CE2 4.23Å; L35-Y39 WeakPolarHBondContact O-CD2 3.33Å; L35-Y39 PolarHBondContact O-N 3.49Å; K36-Y39 PolarHBondContact O-N 2.81Å; Y39-K42 CarbonylContact O-C 3.57Å; Y39-K42 PolarHBondContact O-N 3.5Å; Y39-E43 PolarHBondContact O-N 3.29Å; Y39-L44 HydrophobicContact CD1-CB 3.59Å; Y39-L44 WeakPolarHBondContact CD1-O 3.27Å; Y39-L44 HydrophobicContact CE1-CB 4.12Å; Y39-L44 HydrophobicContact CG-CB 4.26Å; Y39-L44 PolarHBondContact O-N 2.86Å; Y39-L46 HydrophobicContact CD1-CD2 3.94Å; Y39-L46 HydrophobicContact CD1-CG 4.47Å; Y39-L46 HydrophobicContact CD2-CD2 4.12Å; Y39-L46 HydrophobicContact CG-CD2 3.69Å; Y39-L46 HydrophobicContact CG-CG 4.43Å; Y39-I49 HydrophobicContact CE1-CD1 4Å; Y39-I49 HydrophobicContact CE1-CG1 3.86Å; Y39-I49 HydrophobicContact CE2-CD1 4.12Å; Y39-I49 WeakPolarHBondContact OH-CG1 3.33Å
40E96.8Very high96.2Very high114 Ų11461.2 Ų61.253%0.53332%0.316SS..Hα-helixtrans-63.6-46.3174.1-70.1178.6170.200111.6K36 K42 E43K36-E40 WeakPolarHBondContact CE-OE1 3.35Å; K36-E40 HydrophobicContact CG-CG 4.43Å; K36-E40 IonicContact NZ-OE1 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.46Å; K36-E40 PolarHBondContact O-N 3.34Å; E40-K42 PolarHBondContact O-N 3.49Å; E40-E43 PolarHBondContact O-N 3.1Å
41E97.3Very high96.1Very high112 Ų11261.4 Ų61.452%0.52332%0.318SS..Hα-helixtrans-58.1-33.5175.9-172.6-154.7131.300112.5K20 D37 F38K20-E41 IonicContact NZ-OE2 2.72Å; K20-E41 PolarHBondContact NZ-OE2 3.44Å; D37-E41 WeakPolarHBondContact O-CB 3.25Å; D37-E41 PolarHBondContact O-N 2.83Å; F38-E41 PolarHBondContact O-N 2.63Å
42K96.6Very high96.1Very high102 Ų10260.7 Ų60.744%0.44332%0.315SS..THydrogen-bonded Turntrans-94.44.9178.8-62.9-48.5-175.2-145.70114F38 Y39 E40 L44F38-K42 HydrophobicContact CD1-CG 4.3Å; F38-K42 HydrophobicContact CE1-CG 3.85Å; F38-K42 HydrophobicContact CE2-CG 4.23Å; F38-K42 HydrophobicContact CZ-CG 3.83Å; F38-K42 WeakPolarHBondContact O-CB 3.4Å; F38-K42 WeakPolarHBondContact O-CG 3.46Å; F38-K42 PolarHBondContact O-N 3.09Å; Y39-K42 CarbonylContact O-C 3.57Å; Y39-K42 PolarHBondContact O-N 3.5Å; E40-K42 PolarHBondContact O-N 3.49Å; K42-L44 HydrophobicContact CB-CD1 3.95Å; K42-L44 HydrophobicContact CB-CG 3.96Å; K42-L44 PolarHBondContact O-N 3.1Å
43E97.3Very high96Very high181 Ų18161 Ų6185%0.84632%0.321SS*.THydrogen-bonded Turntrans54.634.4-177.3-55.8-179.4168.100112.8Y39 E40Y39-E43 PolarHBondContact O-N 3.29Å; E40-E43 PolarHBondContact O-N 3.1Å
44L95.8Very high95.8Very high72 Ų7257.6 Ų57.638%0.37730%0.304SS..  trans-100128.5179.3-66.6176.4000110.4Y39 K42 L46Y39-L44 HydrophobicContact CD1-CB 3.59Å; Y39-L44 WeakPolarHBondContact CD1-O 3.27Å; Y39-L44 HydrophobicContact CE1-CB 4.12Å; Y39-L44 HydrophobicContact CG-CB 4.26Å; Y39-L44 PolarHBondContact O-N 2.86Å; K42-L44 HydrophobicContact CB-CD1 3.95Å; K42-L44 HydrophobicContact CB-CG 3.96Å; K42-L44 PolarHBondContact O-N 3.1Å; L44-L46 PolarHBondContact O-N 3.17Å
45P96Very high95.2Very high66 Ų6659 Ų5943%0.42931%0.31SS..  trans-63.6130.6171.9-22.232.5000111.7S47 N48P45-S47 WeakPolarHBondContact CB-OG 3.12Å; P45-S47 PolarHBondContact O-N 2.79Å; P45-N48 VanDerWaalsContact O-CB 3.31Å; P45-N48 WeakPolarHBondContact O-CB 3.42Å; P45-N48 PolarHBondContact O-N 3.29Å
46L96.2Very high94.6Very high22 Ų2259.2 Ų59.212%0.11532%0.315CS..G310 helixtrans-61-25.3171.4-76.3171.3000112.3K36 Y39 L44 N48 I49 V74 V75K36-L46 HydrophobicContact CB-CD1 4.44Å; K36-L46 HydrophobicContact CG-CD1 4.15Å; Y39-L46 HydrophobicContact CD1-CD2 3.94Å; Y39-L46 HydrophobicContact CD1-CG 4.47Å; Y39-L46 HydrophobicContact CD2-CD2 4.12Å; Y39-L46 HydrophobicContact CG-CD2 3.69Å; Y39-L46 HydrophobicContact CG-CG 4.43Å; L44-L46 PolarHBondContact O-N 3.17Å; L46-N48 PolarHBondContact O-N 3.39Å; L46-N48 VanDerWaalsContact O-N 3.14Å; L46-I49 HydrophobicContact CD2-CD1 3.83Å; L46-I49 WeakPolarHBondContact O-CB 3.21Å; L46-I49 WeakPolarHBondContact O-CG1 3.31Å; L46-I49 PolarHBondContact O-N 3.5Å; L46-V74 HydrophobicContact CB-CG1 4.22Å; L46-V74 HydrophobicContact CD1-CG1 3.8Å; L46-V75 HydrophobicContact CB-CG2 4.24Å; L46-V75 WeakPolarHBondContact O-CG2 3.48Å
47S93.9Very high94.2Very high89 Ų8957.3 Ų57.362%0.62231%0.312SS*.G310 helixtrans-62.5-14174.353.20000114P45 I49P45-S47 WeakPolarHBondContact CB-OG 3.12Å; P45-S47 PolarHBondContact O-N 2.79Å; S47-I49 PolarHBondContact O-N 2.83Å
48N93.7Very high93.9Very high101 Ų10157.9 Ų57.954%0.5432%0.32SS..G310 helixtrans-69.6-18.3172-70.2-7.9000112.6P45 L46 T50P45-N48 VanDerWaalsContact O-CB 3.31Å; P45-N48 WeakPolarHBondContact O-CB 3.42Å; P45-N48 PolarHBondContact O-N 3.29Å; L46-N48 PolarHBondContact O-N 3.39Å; L46-N48 VanDerWaalsContact O-N 3.14Å; N48-T50 PolarHBondContact O-N 2.94Å
49I95.6Very high93.7Very high19 Ų1958.2 Ų58.210%0.09733%0.327CS..  trans-79104.1179.2-52.1172.9000108.9L35 Y39 L46 S47 L71 I78L35-I49 HydrophobicContact CD2-CD1 4.05Å; Y39-I49 HydrophobicContact CE1-CD1 4Å; Y39-I49 HydrophobicContact CE1-CG1 3.86Å; Y39-I49 HydrophobicContact CE2-CD1 4.12Å; Y39-I49 WeakPolarHBondContact OH-CG1 3.33Å; L46-I49 HydrophobicContact CD2-CD1 3.83Å; L46-I49 WeakPolarHBondContact O-CB 3.21Å; L46-I49 WeakPolarHBondContact O-CG1 3.31Å; L46-I49 PolarHBondContact O-N 3.5Å; S47-I49 PolarHBondContact O-N 2.83Å; I49-L71 HydrophobicContact CD1-CD1 4.29Å; I49-I78 HydrophobicContact CB-CD1 4.36Å; I49-I78 HydrophobicContact CG2-CD1 3.54Å; I49-I78 HydrophobicContact CG2-CG1 4.39Å
50T94.1Very high93.6Very high33 Ų3358.7 Ų58.720%0.20233%0.33CS..  trans-88.4-27.8179.955.80000113.2N48 V79N48-T50 PolarHBondContact O-N 2.94Å; T50-V79 PolarHBondContact O-N 3.42Å
51A95.6Very high93.3Very high20 Ų2055.8 Ų55.817%0.16532%0.32CS..EExtended strand (participates in β ladder)trans-148.8154.3-179.400000111.1V79 A343A51-V79 CarbonylContact C-O 3.57Å; A51-V79 WeakPolarHBondContact CA-O 3.42Å; A51-V79 HydrophobicContact CB-CB 3.97Å; A51-A343 HydrophobicContact CB-CB 3.59Å
52V95.4Very high93Very high22 Ų2257.5 Ų57.513%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-139132.9175.866.10000110.6F67 I68 L71 I78 V79 A80 V81V52-F67 HydrophobicContact CG2-CE1 3.73Å; V52-F67 HydrophobicContact CG2-CZ 4.28Å; V52-I68 HydrophobicContact CG1-CG1 4.33Å; V52-L71 HydrophobicContact CB-CD2 4.19Å; V52-L71 HydrophobicContact CG1-CD2 4.11Å; V52-L71 HydrophobicContact CG2-CD2 4.28Å; V52-I78 HydrophobicContact CB-CD1 3.86Å; V52-I78 HydrophobicContact CG1-CD1 3.68Å; V52-I78 HydrophobicContact CG1-CG1 4.23Å; V52-V79 PolarHBondContact N-O 3.19Å; V52-A80 HydrophobicContact CG1-CB 4.33Å; V52-V81 PolarHBondContact O-N 2.95Å
53A94.1Very high92.6Very high23 Ų2364 Ų6419%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-107.1132.1170.400000110.2V81 F344A53-V81 VanDerWaalsContact CA-O 3.28Å; A53-V81 WeakPolarHBondContact CA-O 3.45Å; A53-V81 HydrophobicContact CB-CB 4.39Å; A53-F344 HydrophobicContact CB-CB 3.57Å; A53-F344 WeakPolarHBondContact CB-O 3.46Å
54A92.7Very high92.2Very high2 Ų262.7 Ų62.72%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-137.5157.717700000111.8M60 I68 V81 C83A54-M60 HydrophobicContact CB-CB 3.83Å; A54-M60 HydrophobicContact CB-CE 3.57Å; A54-M60 HydrophobicContact CB-CG 4.15Å; A54-I68 HydrophobicContact CB-CD1 4Å; A54-V81 PolarHBondContact N-O 3.1Å; A54-C83 VanDerWaalsContact O-CB 3.31Å; A54-C83 WeakPolarHBondContact O-CB 3.29Å; A54-C83 PolarHBondContact O-N 3.19Å
55D84.5Confident92.1Very high62 Ų6267.6 Ų67.633%0.33235%0.351SS..  trans-64.6167.5168.470.926.8000110.8A57 M60 T61D55-A57 PolarHBondContact O-N 2.92Å; D55-A57 WeakPolarHBondContact OD1-CB 3.3Å; D55-A57 PolarHBondContact OD1-N 3.35Å; D55-M60 WeakPolarHBondContact O-CB 3.35Å; D55-M60 WeakPolarHBondContact OD1-CG 3.29Å; D55-T61 WeakPolarHBondContact O-CG2 3.28Å
56G83.4Confident92Very high16 Ų1664.5 Ų64.517%0.16533%0.331CS..SBendtrans-81.213.6179.100000114.4H82 Y86G56-H82 VanDerWaalsContact CA-CD2 3.41Å; G56-H82 WeakPolarHBondContact CA-CD2 3.4Å; G56-H82 WeakPolarHBondContact CA-NE2 3.19Å; G56-H82 PolarHBondContact N-CD2 2.8Å; G56-H82 PolarHBondContact N-NE2 3.08Å; G56-Y86 VanDerWaalsContact CA-CE1 3.47Å; G56-Y86 VanDerWaalsContact N-CD1 3.31Å
57A88.2Confident92Very high29 Ų2964 Ų6424%0.2433%0.328CS..  trans-63.4146.1-178.600000110.2D55 A59 M60 T61D55-A57 PolarHBondContact O-N 2.92Å; D55-A57 WeakPolarHBondContact OD1-CB 3.3Å; D55-A57 PolarHBondContact OD1-N 3.35Å; A57-A59 PolarHBondContact O-N 3.07Å; A57-A59 VanDerWaalsContact O-N 3.12Å; A57-M60 HydrophobicContact CB-CG 4.43Å; A57-M60 PolarHBondContact O-N 2.88Å; A57-T61 PolarHBondContact O-N 2.91Å; A57-T61 PolarHBondContact O-OG1 3.41Å; A57-T61 VanDerWaalsContact O-OG1 3.06Å
58P90.3Very high92.1Very high91 Ų9160.6 Ų60.659%0.59130%0.302SS*.Hα-helixtrans-55.6-31.9177-27.935.5000113.2M60 R62P58-M60 PolarHBondContact O-N 2.89Å; P58-R62 VanDerWaalsContact O-CB 3.24Å; P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 PolarHBondContact O-N 3.47Å; P58-R62 VanDerWaalsContact O-N 3.12Å
59A93.6Very high92.3Very high26 Ų2656.5 Ų56.522%0.21528%0.282CS..Hα-helixtrans-61.7-30.5174.300000113.2T26 G28 I31 A57 G66 F67T26-A59 WeakPolarHBondContact O-CB 3.35Å; G28-A59 WeakPolarHBondContact CA-O 3.26Å; I31-A59 HydrophobicContact CD1-CB 4.23Å; A57-A59 PolarHBondContact O-N 3.07Å; A57-A59 VanDerWaalsContact O-N 3.12Å; A59-G66 CarbonylContact O-C 3.54Å; A59-G66 VanDerWaalsContact O-CA 3.27Å; A59-G66 WeakPolarHBondContact O-CA 3.4Å; A59-F67 PolarHBondContact O-N 3.41Å
60M94.2Very high92.3Very high30 Ų3057 Ų5715%0.14828%0.284CS..Hα-helixtrans-89.8-44.1-179.5-59.9-52.5-78.700112.2I31 A54 D55 A57 P58 F67 I68I31-M60 HydrophobicContact CD1-SD 3.73Å; I31-M60 HydrophobicContact CG2-SD 4.31Å; A54-M60 HydrophobicContact CB-CB 3.83Å; A54-M60 HydrophobicContact CB-CE 3.57Å; A54-M60 HydrophobicContact CB-CG 4.15Å; D55-M60 WeakPolarHBondContact O-CB 3.35Å; D55-M60 WeakPolarHBondContact OD1-CG 3.29Å; A57-M60 HydrophobicContact CB-CG 4.43Å; A57-M60 PolarHBondContact O-N 2.88Å; P58-M60 PolarHBondContact O-N 2.89Å; M60-F67 HydrophobicContact CE-CB 4.2Å; M60-F67 HydrophobicContact CE-CD1 3.42Å; M60-F67 VanDerWaalsContact CE-CD1 3.42Å; M60-F67 HydrophobicContact CE-CE1 3.97Å; M60-F67 HydrophobicContact CE-CG 3.93Å; M60-F67 PolarHBondContact O-N 3.3Å; M60-F67 HydrophobicContact SD-CB 3.97Å; M60-F67 HydrophobicContact SD-CD1 4.3Å; M60-F67 HydrophobicContact SD-CG 4.32Å; M60-I68 WeakPolarHBondContact O-CB 3.33Å; M60-I68 WeakPolarHBondContact O-CG1 3.34Å; M60-I68 PolarHBondContact O-N 3.23Å
61T91Very high92.5Very high54 Ų5455.4 Ų55.433%0.33128%0.275SS..Hα-helixtrans-108.6-5.1-16357.50000115.4D55 A57 R63 I68D55-T61 WeakPolarHBondContact O-CG2 3.28Å; A57-T61 PolarHBondContact O-N 2.91Å; A57-T61 PolarHBondContact O-OG1 3.41Å; A57-T61 VanDerWaalsContact O-OG1 3.06Å; T61-R63 PolarHBondContact O-N 3.4Å; T61-I68 HydrophobicContact CG2-CD1 4.27Å
62R90.2Very high92.5Very high148 Ų14859.1 Ų59.156%0.55829%0.287SS*.  trans-55.1132.4178.7-112-174.7179.3-172.3-0.2111.4P58 Q64 G66P58-R62 VanDerWaalsContact O-CB 3.24Å; P58-R62 WeakPolarHBondContact O-CB 3.4Å; P58-R62 PolarHBondContact O-N 3.47Å; P58-R62 VanDerWaalsContact O-N 3.12Å; R62-Q64 VanDerWaalsContact C-N 3.25Å; R62-Q64 PolarHBondContact O-N 3.38Å; R62-G66 VanDerWaalsContact O-CA 3.32Å; R62-G66 WeakPolarHBondContact O-CA 3.21Å; R62-G66 PolarHBondContact O-N 3.13Å
63R89.5Confident92.6Very high237 Ų23764.8 Ų64.889%0.89431%0.312SS*.THydrogen-bonded Turntrans-50.6-37.4-176.1-173.3175.1179.2166.60.8115.2T61 A69T61-R63 PolarHBondContact O-N 3.4Å; R63-A69 VanDerWaalsContact O-CB 3.28Å; R63-A69 WeakPolarHBondContact O-CB 3.46Å
64Q88.6Confident92.7Very high155 Ų15567.3 Ų67.372%0.72433%0.325SS*.THydrogen-bonded Turntrans-118.6-21.8-176.4-69.4-175.9-14.600114.7R62R62-Q64 VanDerWaalsContact C-N 3.25Å; R62-Q64 PolarHBondContact O-N 3.38Å
65R93Very high92.8Very high175 Ų17568 Ų6866%0.6633%0.329SS*.THydrogen-bonded Turntrans-125.54.2-173-60.8-171.8-176.9179.31113.2
66G94.8Very high93.4Very high0 Ų069.4 Ų69.40%034%0.342CS..SBendtrans-79.1153.3175.500000110.2A59 R62 I68 A69 H70A59-G66 CarbonylContact O-C 3.54Å; A59-G66 VanDerWaalsContact O-CA 3.27Å; A59-G66 WeakPolarHBondContact O-CA 3.4Å; R62-G66 VanDerWaalsContact O-CA 3.32Å; R62-G66 WeakPolarHBondContact O-CA 3.21Å; R62-G66 PolarHBondContact O-N 3.13Å; G66-I68 PolarHBondContact O-N 3.03Å; G66-A69 WeakPolarHBondContact O-CA 3.33Å; G66-A69 WeakPolarHBondContact O-CB 3.32Å; G66-A69 PolarHBondContact O-N 2.89Å; G66-H70 PolarHBondContact O-CD2 3.44Å; G66-H70 VanDerWaalsContact O-CD2 3.32Å; G66-H70 PolarHBondContact O-N 3.34Å
67F96.4Very high93.8Very high13 Ų1374.9 Ų74.96%0.05737%0.367CS..Hα-helixtrans-49.5-44.3174159.2-99.7000112.1G28 I31 F32 L35 V52 A59 M60 A69 H70 L71G28-F67 WeakPolarHBondContact O-CA 3.32Å; I31-F67 HydrophobicContact CB-CB 4.39Å; I31-F67 HydrophobicContact CB-CD2 4.23Å; I31-F67 HydrophobicContact CG2-CB 4.26Å; I31-F67 HydrophobicContact CG2-CD2 3.67Å; I31-F67 HydrophobicContact CG2-CE2 4.24Å; I31-F67 HydrophobicContact CG2-CG 4.02Å; F32-F67 HydrophobicContact CB-CD2 3.87Å; F32-F67 HydrophobicContact CB-CE2 4.39Å; L35-F67 HydrophobicContact CB-CE2 4.3Å; L35-F67 HydrophobicContact CD2-CE2 3.76Å; L35-F67 HydrophobicContact CD2-CZ 3.8Å; V52-F67 HydrophobicContact CG2-CE1 3.73Å; V52-F67 HydrophobicContact CG2-CZ 4.28Å; A59-F67 PolarHBondContact O-N 3.41Å; M60-F67 HydrophobicContact CE-CB 4.2Å; M60-F67 HydrophobicContact CE-CD1 3.42Å; M60-F67 VanDerWaalsContact CE-CD1 3.42Å; M60-F67 HydrophobicContact CE-CE1 3.97Å; M60-F67 HydrophobicContact CE-CG 3.93Å; M60-F67 PolarHBondContact O-N 3.3Å; M60-F67 HydrophobicContact SD-CB 3.97Å; M60-F67 HydrophobicContact SD-CD1 4.3Å; M60-F67 HydrophobicContact SD-CG 4.32Å; F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 2.94Å; F67-H70 PolarHBondContact O-N 3.07Å; F67-L71 HydrophobicContact CE1-CD2 4.18Å; F67-L71 HydrophobicContact CZ-CD2 3.84Å; F67-L71 PolarHBondContact O-N 3.13Å
68I95.9Very high94Very high17 Ų1773.9 Ų73.99%0.08736%0.358CS..Hα-helixtrans-62.3-36178.5-66.8169.5000111.4V52 A54 M60 T61 G66 L71 K72 A80V52-I68 HydrophobicContact CG1-CG1 4.33Å; A54-I68 HydrophobicContact CB-CD1 4Å; M60-I68 WeakPolarHBondContact O-CB 3.33Å; M60-I68 WeakPolarHBondContact O-CG1 3.34Å; M60-I68 PolarHBondContact O-N 3.23Å; T61-I68 HydrophobicContact CG2-CD1 4.27Å; G66-I68 PolarHBondContact O-N 3.03Å; I68-L71 PolarHBondContact O-N 3.33Å; I68-K72 HydrophobicContact CG2-CD 4.22Å; I68-K72 HydrophobicContact CG2-CG 4.44Å; I68-K72 WeakPolarHBondContact O-CB 3.32Å; I68-K72 WeakPolarHBondContact O-CG 3.45Å; I68-K72 PolarHBondContact O-N 3.31Å; I68-A80 HydrophobicContact CD1-CB 4.29Å; I68-A80 HydrophobicContact CG2-CB 3.54Å
69A96.4Very high94.2Very high15 Ų1571.5 Ų71.512%0.12434%0.341CS..Hα-helixtrans-66.9-42.3179.400000111.5R63 G66 F67 K72 Q73R63-A69 VanDerWaalsContact O-CB 3.28Å; R63-A69 WeakPolarHBondContact O-CB 3.46Å; G66-A69 WeakPolarHBondContact O-CA 3.33Å; G66-A69 WeakPolarHBondContact O-CB 3.32Å; G66-A69 PolarHBondContact O-N 2.89Å; F67-A69 VanDerWaalsContact C-N 3.27Å; F67-A69 PolarHBondContact O-N 2.94Å; A69-K72 PolarHBondContact O-N 2.94Å; A69-Q73 PolarHBondContact O-N 2.9Å
70H97.2Very high94.2Very high28 Ų2871.9 Ų71.913%0.1334%0.344CS..Hα-helixtrans-65.7-42.5174-69.2-71000111.8F32 G66 F67 K72 Q73F32-H70 HydrophobicContact CB-CB 3.84Å; F32-H70 HydrophobicContact CD1-CB 3.8Å; F32-H70 HydrophobicContact CD2-CB 4.01Å; F32-H70 HydrophobicContact CE1-CB 4.39Å; F32-H70 HydrophobicContact CG-CB 3.59Å; G66-H70 PolarHBondContact O-CD2 3.44Å; G66-H70 VanDerWaalsContact O-CD2 3.32Å; G66-H70 PolarHBondContact O-N 3.34Å; F67-H70 PolarHBondContact O-N 3.07Å; H70-K72 VanDerWaalsContact C-N 3.31Å; H70-K72 PolarHBondContact O-N 3.27Å; H70-Q73 WeakPolarHBondContact O-CB 3Å; H70-Q73 PolarHBondContact O-N 3.3Å; H70-Q73 VanDerWaalsContact O-N 3.09Å
71L97Very high94.1Very high1 Ų170.7 Ų70.71%0.00534%0.339CS..Hα-helixtrans-62.1-39.6177.7-174.354.4000112F32 L35 I49 V52 F67 I68 Q73 V74 V75 I78F32-L71 HydrophobicContact CD2-CB 4.32Å; F32-L71 HydrophobicContact CE2-CD1 4.21Å; L35-L71 HydrophobicContact CD2-CD1 4.35Å; L35-L71 HydrophobicContact CD2-CD2 4.45Å; I49-L71 HydrophobicContact CD1-CD1 4.29Å; V52-L71 HydrophobicContact CB-CD2 4.19Å; V52-L71 HydrophobicContact CG1-CD2 4.11Å; V52-L71 HydrophobicContact CG2-CD2 4.28Å; F67-L71 HydrophobicContact CE1-CD2 4.18Å; F67-L71 HydrophobicContact CZ-CD2 3.84Å; F67-L71 PolarHBondContact O-N 3.13Å; I68-L71 PolarHBondContact O-N 3.33Å; L71-Q73 PolarHBondContact O-N 3.37Å; L71-V74 PolarHBondContact O-N 3.45Å; L71-V74 VanDerWaalsContact O-N 3.12Å; L71-V75 HydrophobicContact CD1-CG2 4.21Å; L71-V75 PolarHBondContact O-N 3.25Å; L71-I78 HydrophobicContact CD1-CD1 4.5Å; L71-I78 HydrophobicContact CD2-CD1 3.33Å; L71-I78 HydrophobicContact CG-CD1 3.68Å
72K96.8Very high94.2Very high98 Ų9870.5 Ų70.543%0.42633%0.334SS..Hα-helixtrans-63.3-23.3174.6-80.5-177.8174.8-164.40114.4I68 A69 H70 V74 V75 P76 I78I68-K72 HydrophobicContact CG2-CD 4.22Å; I68-K72 HydrophobicContact CG2-CG 4.44Å; I68-K72 WeakPolarHBondContact O-CB 3.32Å; I68-K72 WeakPolarHBondContact O-CG 3.45Å; I68-K72 PolarHBondContact O-N 3.31Å; A69-K72 PolarHBondContact O-N 2.94Å; H70-K72 VanDerWaalsContact C-N 3.31Å; H70-K72 PolarHBondContact O-N 3.27Å; K72-V74 VanDerWaalsContact C-N 3.28Å; K72-V75 CarbonylContact O-C 3.51Å; K72-P76 VanDerWaalsContact O-CA 3.24Å; K72-P76 WeakPolarHBondContact O-CA 3.33Å; K72-I78 HydrophobicContact CG-CG2 3.55Å
73Q96.3Very high94.3Very high140 Ų14063.4 Ų63.465%0.65431%0.307SS*.Hα-helixtrans-70.3-29.3175-68.6170.6-7.700111.9A69 H70 L71A69-Q73 PolarHBondContact O-N 2.9Å; H70-Q73 WeakPolarHBondContact O-CB 3Å; H70-Q73 PolarHBondContact O-N 3.3Å; H70-Q73 VanDerWaalsContact O-N 3.09Å; L71-Q73 PolarHBondContact O-N 3.37Å
74V96.3Very high94.4Very high77 Ų7752.1 Ų52.147%0.46727%0.265SS..Hα-helixtrans-98.5-30-179.7-173.80000111.8F32 L46 L71 K72F32-V74 HydrophobicContact CE2-CG2 4.37Å; F32-V74 HydrophobicContact CZ-CG2 3.79Å; L46-V74 HydrophobicContact CB-CG1 4.22Å; L46-V74 HydrophobicContact CD1-CG1 3.8Å; L71-V74 PolarHBondContact O-N 3.45Å; L71-V74 VanDerWaalsContact O-N 3.12Å; K72-V74 VanDerWaalsContact C-N 3.28Å
75V96.1Very high94.4Very high15 Ų1544.8 Ų44.89%0.09123%0.23CC..  trans-128.480.4177.6-167.20000109.2L46 L71 K72 D77 I78L46-V75 HydrophobicContact CB-CG2 4.24Å; L46-V75 WeakPolarHBondContact O-CG2 3.48Å; L71-V75 HydrophobicContact CD1-CG2 4.21Å; L71-V75 PolarHBondContact O-N 3.25Å; K72-V75 CarbonylContact O-C 3.51Å; V75-D77 VanDerWaalsContact C-N 3.28Å; V75-D77 PolarHBondContact O-N 2.89Å; V75-I78 HydrophobicContact CB-CB 4.21Å; V75-I78 HydrophobicContact CG1-CB 3.93Å; V75-I78 WeakPolarHBondContact O-CB 3.2Å; V75-I78 WeakPolarHBondContact O-CG2 3.48Å; V75-I78 PolarHBondContact O-N 3.14Å
76P95.3Very high94.2Very high93 Ų9339.6 Ų39.660%0.60421%0.211SC*.THydrogen-bonded Turntrans-57.5-36.8-172.7-27.536.4000114.5K72 I78K72-P76 VanDerWaalsContact O-CA 3.24Å; K72-P76 WeakPolarHBondContact O-CA 3.33Å; P76-I78 VanDerWaalsContact C-N 3.28Å; P76-I78 PolarHBondContact O-N 2.97Å
77D91.8Very high94Very high131 Ų13139.9 Ų39.970%0.70121%0.212SC*.THydrogen-bonded Turntrans-87.69.1-174.7-58.2-43.5000114.2V75 V79V75-D77 VanDerWaalsContact C-N 3.28Å; V75-D77 PolarHBondContact O-N 2.89Å; D77-V79 PolarHBondContact O-N 3.03Å
78I94.2Very high93.8Very high8 Ų839.3 Ų39.34%0.04121%0.21CC..  trans-64.5131.6-178-166174.3000111.6I49 V52 L71 K72 V75 P76 A80I49-I78 HydrophobicContact CB-CD1 4.36Å; I49-I78 HydrophobicContact CG2-CD1 3.54Å; I49-I78 HydrophobicContact CG2-CG1 4.39Å; V52-I78 HydrophobicContact CB-CD1 3.86Å; V52-I78 HydrophobicContact CG1-CD1 3.68Å; V52-I78 HydrophobicContact CG1-CG1 4.23Å; L71-I78 HydrophobicContact CD1-CD1 4.5Å; L71-I78 HydrophobicContact CD2-CD1 3.33Å; L71-I78 HydrophobicContact CG-CD1 3.68Å; K72-I78 HydrophobicContact CG-CG2 3.55Å; V75-I78 HydrophobicContact CB-CB 4.21Å; V75-I78 HydrophobicContact CG1-CB 3.93Å; V75-I78 WeakPolarHBondContact O-CB 3.2Å; V75-I78 WeakPolarHBondContact O-CG2 3.48Å; V75-I78 PolarHBondContact O-N 3.14Å; P76-I78 VanDerWaalsContact C-N 3.28Å; P76-I78 PolarHBondContact O-N 2.97Å; I78-A80 PolarHBondContact O-N 3.35Å
79V93.5Very high93.4Very high41 Ų4139.7 Ų39.725%0.24821%0.211CC..EExtended strand (participates in β ladder)trans-77.8111.6172.1179.50000109.2T50 A51 V52 D77 V81 K339T50-V79 PolarHBondContact O-N 3.42Å; A51-V79 CarbonylContact C-O 3.57Å; A51-V79 WeakPolarHBondContact CA-O 3.42Å; A51-V79 HydrophobicContact CB-CB 3.97Å; V52-V79 PolarHBondContact N-O 3.19Å; D77-V79 PolarHBondContact O-N 3.03Å; V79-V81 HydrophobicContact CG1-CG2 4.1Å; V79-K339 HydrophobicContact CG2-CB 4.02Å; V79-K339 HydrophobicContact CG2-CD 3.81Å; V79-K339 HydrophobicContact CG2-CG 3.96Å
80A93.7Very high93.1Very high34 Ų3441.3 Ų41.328%0.28122%0.217SC..EExtended strand (participates in β ladder)trans-95.9117.7176.900000110.4V52 I68 I78V52-A80 HydrophobicContact CG1-CB 4.33Å; I68-A80 HydrophobicContact CD1-CB 4.29Å; I68-A80 HydrophobicContact CG2-CB 3.54Å; I78-A80 PolarHBondContact O-N 3.35Å
81V93Very high92.9Very high4 Ų440 Ų402%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-108.7117.1178.7-174.10000108.8V52 A53 A54 V79 L208 A343V52-V81 PolarHBondContact O-N 2.95Å; A53-V81 VanDerWaalsContact CA-O 3.28Å; A53-V81 WeakPolarHBondContact CA-O 3.45Å; A53-V81 HydrophobicContact CB-CB 4.39Å; A54-V81 PolarHBondContact N-O 3.1Å; V79-V81 HydrophobicContact CG1-CG2 4.1Å; V81-L208 HydrophobicContact CG1-CD2 4.1Å; V81-L208 HydrophobicContact CG2-CD1 4.29Å; V81-L208 HydrophobicContact CG2-CD2 4.01Å; V81-A343 HydrophobicContact CG2-CB 4.26Å
82H91.5Very high92.6Very high50 Ų5040.2 Ų40.223%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-82.4125.7169160.9-150.3000109G56 V84 Y86 R87G56-H82 VanDerWaalsContact CA-CD2 3.41Å; G56-H82 WeakPolarHBondContact CA-CD2 3.4Å; G56-H82 WeakPolarHBondContact CA-NE2 3.19Å; G56-H82 PolarHBondContact N-CD2 2.8Å; G56-H82 PolarHBondContact N-NE2 3.08Å; H82-V84 PolarHBondContact O-N 3.48Å; H82-Y86 AromaticContact NE2-CD1 3.57Å; H82-R87 VanDerWaalsContact CG-NE 3.28Å; H82-R87 PolarHBondContact ND1-NE 3.07Å; H82-R87 VanDerWaalsContact ND1-NE 3.11Å; H82-R87 PolarHBondContact O-NE 3.45Å; H82-R87 PolarHBondContact O-NH2 2.85Å
83C92.2Very high92.3Very high0 Ų040.1 Ų40.10%021%0.213CC..  trans-48.9121.2-168.3174.70000113.7A54 I85 Y86 R87 T347A54-C83 VanDerWaalsContact O-CB 3.31Å; A54-C83 WeakPolarHBondContact O-CB 3.29Å; A54-C83 PolarHBondContact O-N 3.19Å; C83-I85 PolarHBondContact O-N 2.87Å; C83-Y86 PolarHBondContact O-N 3.28Å; C83-Y86 PolarHBondContact SG-N 3.26Å; C83-Y86 VanDerWaalsContact SG-N 3.36Å; C83-R87 WeakPolarHBondContact O-CG 3.33Å; C83-R87 PolarHBondContact O-N 3.32Å; C83-R87 VanDerWaalsContact O-N 3.15Å; C83-T347 HydrophobicContact CB-CG2 4.2Å; C83-T347 PolarHBondContact SG-N 3.17Å; C83-T347 PolarHBondContact SG-OG1 3.02Å
84V92.7Very high92.1Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-63.1-42.9179.8-61.70000112.5H82 Y86 R87 E88 L201 T211 Y272 I275 P345H82-V84 PolarHBondContact O-N 3.48Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 3.02Å; V84-R87 WeakPolarHBondContact O-CB 3.38Å; V84-R87 PolarHBondContact O-N 3.32Å; V84-R87 VanDerWaalsContact O-N 3.09Å; V84-E88 PolarHBondContact O-N 3.47Å; V84-L201 HydrophobicContact CG2-CD1 4.08Å; V84-L201 HydrophobicContact CG2-CD2 4.17Å; V84-T211 HydrophobicContact CB-CG2 4.36Å; V84-T211 HydrophobicContact CG1-CG2 3.77Å; V84-T211 HydrophobicContact CG2-CG2 4.02Å; V84-Y272 HydrophobicContact CB-CE1 3.8Å; V84-Y272 HydrophobicContact CG1-CD1 4.49Å; V84-Y272 HydrophobicContact CG1-CE1 3.88Å; V84-Y272 PolarHBondContact O-OH 3.07Å; V84-I275 HydrophobicContact CG1-CD1 4.28Å; V84-I275 HydrophobicContact CG1-CG1 4.28Å; V84-P345 HydrophobicContact CG2-CB 4.28Å; V84-P345 WeakPolarHBondContact CG2-O 3.36Å; V84-P345 PolarHBondContact N-O 3.35Å; V84-P345 VanDerWaalsContact N-O 3.1Å
85I88.7Confident92Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-58.8-42.1177.6-73.7177.2000111.1C83 E88 H89 W145 L201 Y348C83-I85 PolarHBondContact O-N 2.87Å; I85-E88 PolarHBondContact O-N 3.37Å; I85-H89 PolarHBondContact O-N 2.87Å; I85-H89 VanDerWaalsContact O-N 3.07Å; I85-W145 HydrophobicContact CB-CZ2 4.18Å; I85-W145 HydrophobicContact CG2-CH2 4.5Å; I85-W145 HydrophobicContact CG2-CZ2 3.37Å; I85-W145 WeakPolarHBondContact O-CZ2 3.43Å; I85-L201 HydrophobicContact CD1-CB 4.35Å; I85-L201 HydrophobicContact CG1-CB 4.07Å; I85-L201 HydrophobicContact CG1-CD1 4.45Å; I85-Y348 HydrophobicContact CD1-CD2 4.39Å
86Y87.5Confident92Very high67 Ų6738.7 Ų38.726%0.26320%0.202SC..Hα-helixtrans-67-38.5177.2-176.1-105.1000112.3G56 H82 C83 V84 H89 L90G56-Y86 VanDerWaalsContact CA-CE1 3.47Å; G56-Y86 VanDerWaalsContact N-CD1 3.31Å; H82-Y86 AromaticContact NE2-CD1 3.57Å; C83-Y86 PolarHBondContact O-N 3.28Å; C83-Y86 PolarHBondContact SG-N 3.26Å; C83-Y86 VanDerWaalsContact SG-N 3.36Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 3.02Å; Y86-H89 WeakPolarHBondContact O-CB 3.49Å; Y86-H89 PolarHBondContact O-N 3.11Å; Y86-L90 HydrophobicContact CD1-CD1 3.95Å; Y86-L90 HydrophobicContact CD1-CG 4.3Å; Y86-L90 HydrophobicContact CE1-CD1 3.48Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.48Å; Y86-L90 HydrophobicContact CE1-CD2 4.33Å; Y86-L90 HydrophobicContact CE1-CG 3.93Å; Y86-L90 WeakPolarHBondContact O-CG 3.31Å; Y86-L90 PolarHBondContact O-N 3.26Å
87R91.3Very high92.1Very high6 Ų640.9 Ų40.92%0.02321%0.208CC..Hα-helixtrans-65.6-41.4176.4-65.7172.2-166.7-167.714.9112.1H82 C83 V84 H89 L90 A91 R271 Y272 D274H82-R87 VanDerWaalsContact CG-NE 3.28Å; H82-R87 PolarHBondContact ND1-NE 3.07Å; H82-R87 VanDerWaalsContact ND1-NE 3.11Å; H82-R87 PolarHBondContact O-NE 3.45Å; H82-R87 PolarHBondContact O-NH2 2.85Å; C83-R87 WeakPolarHBondContact O-CG 3.33Å; C83-R87 PolarHBondContact O-N 3.32Å; C83-R87 VanDerWaalsContact O-N 3.15Å; V84-R87 WeakPolarHBondContact O-CB 3.38Å; V84-R87 PolarHBondContact O-N 3.32Å; V84-R87 VanDerWaalsContact O-N 3.09Å; R87-H89 VanDerWaalsContact C-N 3.35Å; R87-L90 PolarHBondContact O-N 2.9Å; R87-A91 PolarHBondContact O-N 2.94Å; R87-R271 HydrophobicContact CB-CB 4.43Å; R87-R271 WeakPolarHBondContact CD-O 3.49Å; R87-R271 PolarHBondContact NH1-O 3.42Å; R87-Y272 HydrophobicContact CB-CE1 4.01Å; R87-D274 IonicContact CZ-OD1 3.51Å; R87-D274 IonicContact CZ-OD2 3.3Å; R87-D274 VanDerWaalsContact NH1-CG 3.26Å; R87-D274 IonicContact NH1-OD1 3.3Å; R87-D274 PolarHBondContact NH1-OD1 3.39Å; R87-D274 IonicContact NH1-OD2 2.74Å; R87-D274 PolarHBondContact NH1-OD2 3.1Å; R87-D274 VanDerWaalsContact NH1-OD2 3.1Å; R87-D274 IonicContact NH2-OD1 3.07Å; R87-D274 IonicContact NH2-OD2 2.97Å; R87-D274 PolarHBondContact NH2-OD2 2.78Å
88E91.5Very high92.3Very high0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-56.5-49172.5-178.3-172.6168.900111V84 I85 L90 A91 A92 W145 F194 M197 Y272V84-E88 PolarHBondContact O-N 3.47Å; I85-E88 PolarHBondContact O-N 3.37Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 2.99Å; E88-A91 PolarHBondContact O-N 2.96Å; E88-A91 VanDerWaalsContact O-N 3.13Å; E88-A92 WeakPolarHBondContact O-CB 3.36Å; E88-A92 PolarHBondContact O-N 3.22Å; E88-W145 HydrophobicContact CB-CH2 4.13Å; E88-W145 VanDerWaalsContact CD-CH2 3.42Å; E88-W145 HydrophobicContact CG-CH2 3.9Å; E88-W145 HydrophobicContact CG-CZ3 4.24Å; E88-W145 WeakPolarHBondContact OE2-CH2 3.43Å; E88-F194 HydrophobicContact CG-CD1 3.89Å; E88-F194 HydrophobicContact CG-CE1 4.29Å; E88-F194 WeakPolarHBondContact OE1-CB 3.47Å; E88-F194 WeakPolarHBondContact OE1-CD1 3.41Å; E88-F194 VanDerWaalsContact OE1-O 3.1Å; E88-M197 HydrophobicContact CB-CE 4.13Å; E88-M197 HydrophobicContact CG-CE 3.46Å; E88-M197 VanDerWaalsContact CG-CE 3.46Å; E88-M197 WeakPolarHBondContact OE1-CE 3.4Å; E88-M197 VanDerWaalsContact OE2-CE 3.26Å; E88-M197 WeakPolarHBondContact OE2-CE 3.44Å; E88-Y272 PolarHBondContact N-OH 2.87Å
89H87.6Confident92.5Very high26 Ų2636.7 Ų36.712%0.1218%0.182CC..Hα-helixtrans-56.4-44.4176.6173.355.6000112.8I85 Y86 R87 A91 A92 K93 W145I85-H89 PolarHBondContact O-N 2.87Å; I85-H89 VanDerWaalsContact O-N 3.07Å; Y86-H89 WeakPolarHBondContact O-CB 3.49Å; Y86-H89 PolarHBondContact O-N 3.11Å; R87-H89 VanDerWaalsContact C-N 3.35Å; H89-A91 VanDerWaalsContact C-N 3.34Å; H89-A91 PolarHBondContact O-N 3.18Å; H89-A92 PolarHBondContact O-N 3.32Å; H89-K93 WeakPolarHBondContact CE1-CE 3.46Å; H89-K93 PolarHBondContact O-N 3.26Å; H89-K93 VanDerWaalsContact O-N 3.1Å; H89-W145 HydrophobicContact CB-CD2 3.73Å; H89-W145 HydrophobicContact CB-CE3 4.19Å; H89-W145 HydrophobicContact CB-CG 3.95Å; H89-W145 HydrophobicContact CB-CZ2 4.17Å; H89-W145 WeakPolarHBondContact CE1-CB 3.24Å; H89-W145 AromaticContact CE1-CG 3.87Å; H89-W145 AromaticContact CG-CD1 3.98Å; H89-W145 AromaticContact CG-CG 3.72Å; H89-W145 WeakPolarHBondContact ND1-CB 3.4Å; H89-W145 AromaticContact ND1-CD2 3.88Å; H89-W145 AromaticContact ND1-CG 3.42Å
90L90.2Very high92.6Very high48 Ų4840.1 Ų40.125%0.25119%0.194SC..Hα-helixtrans-62.8-40.8177.1-70.6-178.8000112.3Y86 R87 E88 K93Y86-L90 HydrophobicContact CD1-CD1 3.95Å; Y86-L90 HydrophobicContact CD1-CG 4.3Å; Y86-L90 HydrophobicContact CE1-CD1 3.48Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.48Å; Y86-L90 HydrophobicContact CE1-CD2 4.33Å; Y86-L90 HydrophobicContact CE1-CG 3.93Å; Y86-L90 WeakPolarHBondContact O-CG 3.31Å; Y86-L90 PolarHBondContact O-N 3.26Å; R87-L90 PolarHBondContact O-N 2.9Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 2.99Å; L90-K93 PolarHBondContact O-N 2.88Å
91A92.8Very high92.8Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-66.2-45176.200000111.5R87 E88 H89 K93 R94 L264 D267 L268R87-A91 PolarHBondContact O-N 2.94Å; E88-A91 PolarHBondContact O-N 2.96Å; E88-A91 VanDerWaalsContact O-N 3.13Å; H89-A91 VanDerWaalsContact C-N 3.34Å; H89-A91 PolarHBondContact O-N 3.18Å; A91-K93 PolarHBondContact O-N 3.18Å; A91-K93 VanDerWaalsContact O-N 3.15Å; A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 3.35Å; A91-L264 HydrophobicContact CB-CD2 4.49Å; A91-L264 WeakPolarHBondContact O-CD2 3.16Å; A91-D267 WeakPolarHBondContact CA-OD2 3.36Å; A91-L268 HydrophobicContact CB-CD2 3.43Å; A91-L268 VanDerWaalsContact CB-CD2 3.43Å; A91-L268 HydrophobicContact CB-CG 3.73Å
92A91.4Very high93Very high6 Ų641.2 Ų41.25%0.0520%0.199CC..Hα-helixtrans-62.6-22.617800000113.2E88 H89 R94 Y191 F194E88-A92 WeakPolarHBondContact O-CB 3.36Å; E88-A92 PolarHBondContact O-N 3.22Å; H89-A92 PolarHBondContact O-N 3.32Å; A92-R94 VanDerWaalsContact C-N 3.34Å; A92-Y191 HydrophobicContact CB-CE1 4.26Å; A92-Y191 PolarHBondContact O-OH 3.12Å; A92-F194 HydrophobicContact CB-CD2 4.29Å; A92-F194 HydrophobicContact CB-CE2 4.01Å; A92-F194 HydrophobicContact CB-CZ 4.2Å
93K89.8Confident93.1Very high97 Ų9739.6 Ų39.642%0.42219%0.192SC..THydrogen-bonded Turntrans-76.1-16.7173.3-82.1-175.3161.6-172.70113.7H89 L90 A91 L95 E142H89-K93 WeakPolarHBondContact CE1-CE 3.46Å; H89-K93 PolarHBondContact O-N 3.26Å; H89-K93 VanDerWaalsContact O-N 3.1Å; L90-K93 PolarHBondContact O-N 2.88Å; A91-K93 PolarHBondContact O-N 3.18Å; A91-K93 VanDerWaalsContact O-N 3.15Å; K93-L95 PolarHBondContact O-N 2.65Å; K93-E142 IonicContact NZ-OE2 3.1Å; K93-E142 PolarHBondContact NZ-OE2 3.49Å
94R92.4Very high93.2Very high119 Ų11945 Ų4545%0.44922%0.217SC..  trans-75.8114.1176.7-70.5-156.7169.5-178.62.3109.8A91 A92 H260 M263 D267A91-R94 WeakPolarHBondContact O-CB 3.48Å; A91-R94 PolarHBondContact O-N 3.35Å; A92-R94 VanDerWaalsContact C-N 3.34Å; R94-H260 PolarHBondContact O-NE2 3.12Å; R94-H260 VanDerWaalsContact O-NE2 3.09Å; R94-M263 HydrophobicContact CB-CE 3.46Å; R94-M263 VanDerWaalsContact CB-CE 3.46Å; R94-M263 HydrophobicContact CB-SD 3.4Å; R94-M263 WeakPolarHBondContact CB-SD 3.42Å; R94-M263 VanDerWaalsContact CD-SD 3.5Å; R94-M263 HydrophobicContact CG-SD 4.11Å; R94-M263 WeakPolarHBondContact O-CE 3.5Å; R94-D267 VanDerWaalsContact CD-OD2 3.3Å; R94-D267 WeakPolarHBondContact CD-OD2 3.47Å; R94-D267 VanDerWaalsContact CZ-CG 3.5Å; R94-D267 IonicContact CZ-OD1 3.92Å; R94-D267 IonicContact CZ-OD2 3.77Å; R94-D267 IonicContact NE-OD1 2.88Å; R94-D267 PolarHBondContact NE-OD1 3.25Å; R94-D267 IonicContact NE-OD2 3.76Å; R94-D267 PolarHBondContact NE-OD2 2.97Å; R94-D267 IonicContact NH1-OD1 2.63Å; R94-D267 PolarHBondContact NH1-OD1 2.97Å; R94-D267 VanDerWaalsContact NH1-OD1 3.11Å; R94-D267 IonicContact NH2-OD1 3.19Å; R94-D267 PolarHBondContact NH2-OD1 3.41Å
95L95.3Very high93.4Very high32 Ų3246.6 Ų46.617%0.16823%0.226CC..  trans-138.5147.2-179.4-63.3174.5000108.7K93 L99 K100 L103 F187 H260K93-L95 PolarHBondContact O-N 2.65Å; L95-L99 HydrophobicContact CB-CB 4.13Å; L95-L99 HydrophobicContact CD2-CB 4.17Å; L95-K100 HydrophobicContact CB-CB 4.1Å; L95-K100 HydrophobicContact CD1-CB 4.5Å; L95-L103 HydrophobicContact CD1-CB 4.32Å; L95-L103 HydrophobicContact CD1-CD2 3.65Å; L95-F187 HydrophobicContact CD1-CE1 4.46Å; L95-F187 HydrophobicContact CD1-CZ 4.31Å; L95-F187 HydrophobicContact CD2-CE1 3.74Å; L95-F187 HydrophobicContact CD2-CZ 4.17Å; L95-H260 WeakPolarHBondContact CD2-NE2 3.48Å
96S96.5Very high93.7Very high51 Ų5146.6 Ų46.636%0.35723%0.226SC..  trans-63.4162.1164.768.80000110.2R98 L99 K100S96-R98 PolarHBondContact O-N 3.37Å; S96-L99 PolarHBondContact O-N 3.05Å; S96-L99 WeakPolarHBondContact OG-CG 3.17Å; S96-L99 PolarHBondContact OG-N 3.05Å; S96-K100 VanDerWaalsContact O-CB 3.32Å; S96-K100 WeakPolarHBondContact O-CB 3.34Å; S96-K100 PolarHBondContact O-N 3.06Å
97N97.1Very high94Very high138 Ų13845 Ų4574%0.73822%0.221SC*.Hα-helixtrans-55.4-42.5178-72.7-22.9000111.9K100 S101N97-K100 PolarHBondContact O-N 3.21Å; N97-S101 PolarHBondContact O-N 3.14Å; N97-S101 PolarHBondContact O-OG 3.07Å; N97-S101 VanDerWaalsContact O-OG 3.1Å
98R96.4Very high94.1Very high52 Ų5248 Ų4820%0.19624%0.237CC..Hα-helixtrans-55.1-57.5174.9174.3-174.1167.3156.77.9111.5S96 K100 S101 S102 D183 D252 D253S96-R98 PolarHBondContact O-N 3.37Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 3.08Å; R98-S101 PolarHBondContact O-N 3.22Å; R98-S102 PolarHBondContact O-N 2.84Å; R98-S102 PolarHBondContact O-OG 3.29Å; R98-D183 IonicContact CZ-OD1 3.11Å; R98-D183 IonicContact CZ-OD2 2.95Å; R98-D183 IonicContact NE-OD1 2.67Å; R98-D183 PolarHBondContact NE-OD1 3.22Å; R98-D183 IonicContact NE-OD2 3.12Å; R98-D183 PolarHBondContact NE-OD2 3.05Å; R98-D183 IonicContact NH2-OD1 2.85Å; R98-D183 PolarHBondContact NH2-OD1 3.33Å; R98-D183 IonicContact NH2-OD2 2.61Å; R98-D252 PolarHBondContact NH1-O 3.25Å; R98-D253 IonicContact CZ-OD1 3.24Å; R98-D253 IonicContact NH1-OD1 2.57Å; R98-D253 PolarHBondContact NH1-OD1 3.26Å; R98-D253 VanDerWaalsContact NH2-CG 3.33Å; R98-D253 IonicContact NH2-OD1 2.8Å; R98-D253 PolarHBondContact NH2-OD1 3.04Å; R98-D253 IonicContact NH2-OD2 3.18Å
99L97.4Very high94.3Very high0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-64-39.2-176.7-72.5-177.7000111.4L95 S96 S101 S102 L103 D183 Y186 F187 Y257 H260L95-L99 HydrophobicContact CB-CB 4.13Å; L95-L99 HydrophobicContact CD2-CB 4.17Å; S96-L99 PolarHBondContact O-N 3.05Å; S96-L99 WeakPolarHBondContact OG-CG 3.17Å; S96-L99 PolarHBondContact OG-N 3.05Å; L99-S101 PolarHBondContact O-N 3.25Å; L99-S102 PolarHBondContact O-N 2.89Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 PolarHBondContact O-N 3.29Å; L99-D183 HydrophobicContact CD2-CB 4.3Å; L99-Y186 HydrophobicContact CD1-CE1 4.33Å; L99-Y186 HydrophobicContact CD2-CD1 4.42Å; L99-F187 HydrophobicContact CB-CE1 4.38Å; L99-F187 HydrophobicContact CB-CZ 3.76Å; L99-F187 HydrophobicContact CD2-CE1 4.44Å; L99-F187 HydrophobicContact CD2-CE2 4.44Å; L99-F187 HydrophobicContact CD2-CZ 3.99Å; L99-F187 HydrophobicContact CG-CZ 4.38Å; L99-F187 WeakPolarHBondContact O-CE2 3.46Å; L99-F187 WeakPolarHBondContact O-CZ 3.11Å; L99-Y257 HydrophobicContact CD2-CD1 4.24Å; L99-Y257 HydrophobicContact CD2-CE1 3.97Å; L99-H260 HydrophobicContact CD1-CB 3.65Å
100K96.5Very high94.6Very high113 Ų11346.8 Ų46.849%0.49123%0.232SC..Hα-helixtrans-59.6-44.9174.7-172.4177.8179.4-178.90111.6L95 S96 N97 R98 L103 Q104L95-K100 HydrophobicContact CB-CB 4.1Å; L95-K100 HydrophobicContact CD1-CB 4.5Å; S96-K100 VanDerWaalsContact O-CB 3.32Å; S96-K100 WeakPolarHBondContact O-CB 3.34Å; S96-K100 PolarHBondContact O-N 3.06Å; N97-K100 PolarHBondContact O-N 3.21Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 3.08Å; K100-L103 PolarHBondContact O-N 3.16Å; K100-Q104 WeakPolarHBondContact O-CG 3.4Å; K100-Q104 PolarHBondContact O-N 3.32Å
101S96.9Very high94.6Very high60 Ų6048.1 Ų48.142%0.4224%0.239SC..Hα-helixtrans-64.1-43.2176.1-64.40000112.2N97 R98 L99 L103 Q104 L105N97-S101 PolarHBondContact O-N 3.14Å; N97-S101 PolarHBondContact O-OG 3.07Å; N97-S101 VanDerWaalsContact O-OG 3.1Å; R98-S101 PolarHBondContact O-N 3.22Å; L99-S101 PolarHBondContact O-N 3.25Å; S101-L103 VanDerWaalsContact C-N 3.32Å; S101-L103 PolarHBondContact O-N 3.27Å; S101-Q104 PolarHBondContact O-N 3.2Å; S101-L105 WeakPolarHBondContact O-CG 3.23Å; S101-L105 PolarHBondContact O-N 3.33Å
102S97.2Very high94.7Very high0 Ų051.8 Ų51.80%026%0.255CS..Hα-helixtrans-62.5-39.6176.7-61.80000112.1R98 L99 L105 V106 R180 D183R98-S102 PolarHBondContact O-N 2.84Å; R98-S102 PolarHBondContact O-OG 3.29Å; L99-S102 PolarHBondContact O-N 2.89Å; S102-L105 WeakPolarHBondContact O-CB 3.44Å; S102-L105 PolarHBondContact O-N 3.17Å; S102-V106 PolarHBondContact O-N 2.71Å; S102-R180 WeakPolarHBondContact OG-CD 3.42Å; S102-D183 WeakPolarHBondContact CB-OD2 3.43Å; S102-D183 PolarHBondContact OG-OD2 2.86Å
103L94.8Very high94.8Very high17 Ų1751.5 Ų51.59%0.08925%0.253CS..Hα-helixtrans-65.2-42174.2-178.267.5000111.9L95 L99 K100 S101 L105 V106 M107 L152 F187L95-L103 HydrophobicContact CD1-CB 4.32Å; L95-L103 HydrophobicContact CD1-CD2 3.65Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 PolarHBondContact O-N 3.29Å; K100-L103 PolarHBondContact O-N 3.16Å; S101-L103 VanDerWaalsContact C-N 3.32Å; S101-L103 PolarHBondContact O-N 3.27Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 3.46Å; L103-V106 PolarHBondContact O-N 3.35Å; L103-M107 HydrophobicContact CD1-CE 3.7Å; L103-M107 HydrophobicContact CG-CE 4.4Å; L103-M107 WeakPolarHBondContact O-CG 3.31Å; L103-M107 PolarHBondContact O-N 3.32Å; L103-L152 HydrophobicContact CD1-CD1 4.27Å; L103-L152 HydrophobicContact CD1-CD2 3.96Å; L103-F187 HydrophobicContact CB-CE2 3.82Å; L103-F187 HydrophobicContact CB-CZ 3.99Å
104Q94.1Very high94.8Very high113 Ų11349.2 Ų49.253%0.52824%0.243SC..Hα-helixtrans-62.4-35.9176.5-75.5173-22.500112.1K100 S101 M107 N108K100-Q104 WeakPolarHBondContact O-CG 3.4Å; K100-Q104 PolarHBondContact O-N 3.32Å; S101-Q104 PolarHBondContact O-N 3.2Å; Q104-M107 PolarHBondContact O-N 2.89Å; Q104-N108 WeakPolarHBondContact O-CB 3.11Å; Q104-N108 PolarHBondContact O-N 2.76Å
105L96.3Very high94.6Very high33 Ų3348.1 Ų48.117%0.17325%0.254CS..Hα-helixtrans-60-46.4173.3-74.4169.4000111.6S101 S102 L103 M107 N108 A109 L173 N176 L177 R180S101-L105 WeakPolarHBondContact O-CG 3.23Å; S101-L105 PolarHBondContact O-N 3.33Å; S102-L105 WeakPolarHBondContact O-CB 3.44Å; S102-L105 PolarHBondContact O-N 3.17Å; L103-L105 VanDerWaalsContact C-N 3.28Å; L103-L105 PolarHBondContact O-N 3.46Å; L105-M107 PolarHBondContact O-N 3.4Å; L105-N108 PolarHBondContact O-N 2.84Å; L105-A109 WeakPolarHBondContact O-CB 3.49Å; L105-A109 PolarHBondContact O-N 3.23Å; L105-L173 HydrophobicContact CD2-CD1 3.98Å; L105-N176 HydrophobicContact CD1-CB 4.12Å; L105-N176 HydrophobicContact CD2-CB 3.96Å; L105-L177 HydrophobicContact CB-CD2 4.47Å; L105-R180 HydrophobicContact CD1-CG 3.97Å
106V95.6Very high94.3Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-60.9-46.2176.7175.90000111.2S102 L103 N108 A109 I110 L152 F155 I184S102-V106 PolarHBondContact O-N 2.71Å; L103-V106 PolarHBondContact O-N 3.35Å; V106-N108 VanDerWaalsContact C-N 3.33Å; V106-N108 PolarHBondContact O-N 3.42Å; V106-A109 WeakPolarHBondContact O-CB 3.36Å; V106-A109 PolarHBondContact O-N 3.04Å; V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CD1 3.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.02Å; V106-L152 HydrophobicContact CG1-CD2 3.87Å; V106-F155 HydrophobicContact CB-CE1 4.44Å; V106-F155 HydrophobicContact CB-CZ 4.49Å; V106-F155 HydrophobicContact CG1-CB 4.37Å; V106-F155 HydrophobicContact CG1-CD1 3.79Å; V106-F155 HydrophobicContact CG1-CD2 3.87Å; V106-F155 HydrophobicContact CG1-CE1 3.96Å; V106-F155 HydrophobicContact CG1-CE2 4.03Å; V106-F155 HydrophobicContact CG1-CG 3.74Å; V106-F155 HydrophobicContact CG1-CZ 4.06Å; V106-F155 HydrophobicContact CG2-CD1 4.33Å; V106-F155 HydrophobicContact CG2-CE1 3.99Å; V106-F155 HydrophobicContact CG2-CZ 4.4Å; V106-I184 HydrophobicContact CG2-CB 4.4Å; V106-I184 HydrophobicContact CG2-CD1 3.85Å; V106-I184 HydrophobicContact CG2-CG1 3.6Å; V106-I184 HydrophobicContact CG2-CG2 3.98Å
107M92.7Very high94.1Very high33 Ų3351.8 Ų51.816%0.16327%0.274CS..Hα-helixtrans-63.7-39.4179.1-63.5-60.2151.700112L103 Q104 L105 I110 N111 H140 K148 L152L103-M107 HydrophobicContact CD1-CE 3.7Å; L103-M107 HydrophobicContact CG-CE 4.4Å; L103-M107 WeakPolarHBondContact O-CG 3.31Å; L103-M107 PolarHBondContact O-N 3.32Å; Q104-M107 PolarHBondContact O-N 2.89Å; L105-M107 PolarHBondContact O-N 3.4Å; M107-I110 PolarHBondContact O-N 2.89Å; M107-I110 HydrophobicContact SD-CD1 4.41Å; M107-N111 WeakPolarHBondContact O-CB 3.32Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.87Å; M107-N111 PolarHBondContact O-ND2 3.26Å; M107-H140 HydrophobicContact SD-CB 4.24Å; M107-K148 HydrophobicContact CE-CG 4.21Å; M107-L152 HydrophobicContact CE-CD2 4.37Å
108N93.9Very high93.9Very high69 Ų6949.4 Ų49.437%0.36926%0.261SS..Hα-helixtrans-62.3-46174.6-173.720.4000111.4Q104 L105 V106 I110 N111 K112Q104-N108 WeakPolarHBondContact O-CB 3.11Å; Q104-N108 PolarHBondContact O-N 2.76Å; L105-N108 PolarHBondContact O-N 2.84Å; V106-N108 VanDerWaalsContact C-N 3.33Å; V106-N108 PolarHBondContact O-N 3.42Å; N108-I110 PolarHBondContact O-N 3.04Å; N108-N111 PolarHBondContact O-N 3.17Å; N108-K112 WeakPolarHBondContact O-CG 3.4Å; N108-K112 PolarHBondContact O-N 3.16Å; N108-K112 WeakPolarHBondContact OD1-CE 3.49Å
109A96.1Very high93.7Very high0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-58.5-47.8176.700000112.2L105 V106 N111 K112 I113 F155 F166 L173 L177L105-A109 WeakPolarHBondContact O-CB 3.49Å; L105-A109 PolarHBondContact O-N 3.23Å; V106-A109 WeakPolarHBondContact O-CB 3.36Å; V106-A109 PolarHBondContact O-N 3.04Å; A109-N111 PolarHBondContact O-N 3.39Å; A109-K112 PolarHBondContact O-N 3.34Å; A109-I113 PolarHBondContact O-N 2.9Å; A109-F155 HydrophobicContact CB-CE2 3.82Å; A109-F155 HydrophobicContact CB-CZ 3.95Å; A109-F166 HydrophobicContact CB-CE2 3.72Å; A109-F166 HydrophobicContact CB-CZ 4.24Å; A109-F166 WeakPolarHBondContact O-CZ 3.39Å; A109-L173 HydrophobicContact CB-CD2 4.18Å; A109-L177 HydrophobicContact CB-CD1 3.99Å; A109-L177 HydrophobicContact CB-CD2 4.31Å
110I93.3Very high93.5Very high1 Ų149.1 Ų49.11%0.00526%0.263CS..Hα-helixtrans-59.9-49.2175.9-67.7158000110.6V106 M107 N108 K112 I113 K114 L137 L138 L139 C151 F155V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.49Å; V106-I110 WeakPolarHBondContact O-CD1 3.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.4Å; V106-I110 PolarHBondContact O-N 3.02Å; M107-I110 PolarHBondContact O-N 2.89Å; M107-I110 HydrophobicContact SD-CD1 4.41Å; N108-I110 PolarHBondContact O-N 3.04Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.04Å; I110-I113 PolarHBondContact O-N 3.28Å; I110-K114 HydrophobicContact CG2-CG 3.93Å; I110-K114 VanDerWaalsContact O-CB 3.25Å; I110-K114 WeakPolarHBondContact O-CB 3.19Å; I110-K114 VanDerWaalsContact O-CG 3.25Å; I110-K114 WeakPolarHBondContact O-CG 3.48Å; I110-K114 PolarHBondContact O-N 3.49Å; I110-L137 HydrophobicContact CG1-CD1 4.31Å; I110-L138 WeakPolarHBondContact CG2-O 3.36Å; I110-L139 HydrophobicContact CG2-CD1 4.46Å; I110-C151 WeakPolarHBondContact CD1-SG 3.2Å; I110-F155 HydrophobicContact CD1-CD2 3.89Å; I110-F155 HydrophobicContact CD1-CE2 4.49Å; I110-F155 HydrophobicContact CG1-CD2 3.54Å; I110-F155 HydrophobicContact CG1-CE2 3.9Å
111N91.4Very high93.4Very high76 Ų7651.2 Ų51.241%0.40627%0.268SS..Hα-helixtrans-61.9-41.8-178.3-74.8-22.6000111.5M107 N108 A109 I113 K114 S115M107-N111 WeakPolarHBondContact O-CB 3.32Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.87Å; M107-N111 PolarHBondContact O-ND2 3.26Å; N108-N111 PolarHBondContact O-N 3.17Å; A109-N111 PolarHBondContact O-N 3.39Å; N111-I113 VanDerWaalsContact C-N 3.32Å; N111-I113 PolarHBondContact O-N 2.84Å; N111-K114 PolarHBondContact O-N 2.89Å; N111-S115 WeakPolarHBondContact O-CB 3.27Å; N111-S115 PolarHBondContact O-N 3.32Å; N111-S115 PolarHBondContact O-OG 3.37Å
112K93.4Very high93.2Very high78 Ų7851.6 Ų51.634%0.33927%0.265SS..Hα-helixtrans-62.8-36.7178.4-78.1-167.7-179.8-164.90113.2N108 A109 I110 N119 F166 D170 L173N108-K112 WeakPolarHBondContact O-CG 3.4Å; N108-K112 PolarHBondContact O-N 3.16Å; N108-K112 WeakPolarHBondContact OD1-CE 3.49Å; A109-K112 PolarHBondContact O-N 3.34Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.04Å; K112-N119 PolarHBondContact O-ND2 3.09Å; K112-F166 HydrophobicContact CB-CE1 4Å; K112-F166 HydrophobicContact CB-CZ 3.91Å; K112-F166 HydrophobicContact CD-CE1 4.24Å; K112-D170 IonicContact NZ-OD2 3.81Å; K112-D170 PolarHBondContact NZ-OD2 3.37Å; K112-L173 HydrophobicContact CD-CD2 3.91Å
113I93.6Very high93.1Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-73.2-48.4174.8-68.7164.7000110.3A109 I110 N111 N119 D120 F123 L137 F165 F166A109-I113 PolarHBondContact O-N 2.9Å; I110-I113 PolarHBondContact O-N 3.28Å; N111-I113 VanDerWaalsContact C-N 3.32Å; N111-I113 PolarHBondContact O-N 2.84Å; I113-N119 WeakPolarHBondContact O-CB 3.37Å; I113-D120 PolarHBondContact O-N 3.27Å; I113-F123 HydrophobicContact CD1-CD2 3.85Å; I113-F123 HydrophobicContact CD1-CE2 4.04Å; I113-F123 HydrophobicContact CD1-CG 4.24Å; I113-F123 HydrophobicContact CG2-CB 3.74Å; I113-F123 HydrophobicContact CG2-CD1 4.1Å; I113-F123 HydrophobicContact CG2-CD2 4.49Å; I113-F123 HydrophobicContact CG2-CG 3.84Å; I113-L137 HydrophobicContact CB-CD1 4.34Å; I113-L137 HydrophobicContact CD1-CD1 3.58Å; I113-L137 HydrophobicContact CG2-CD1 4.33Å; I113-F165 HydrophobicContact CD1-CD1 4.07Å; I113-F165 HydrophobicContact CD1-CE1 4.46Å; I113-F165 HydrophobicContact CG1-CD1 3.83Å; I113-F165 HydrophobicContact CG1-CE1 3.72Å; I113-F165 HydrophobicContact CG1-CZ 4.48Å; I113-F166 HydrophobicContact CD1-CE2 3.64Å; I113-F166 HydrophobicContact CD1-CZ 3.91Å; I113-F166 HydrophobicContact CG1-CE2 4Å; I113-F166 HydrophobicContact CG1-CZ 3.72Å
114K90Very high92.9Very high49 Ų4955.4 Ų55.421%0.21328%0.278CS..Hα-helixtrans-82-26.3-167.8-67.4-61.4-54.4178.10115.3I110 N111 N116 D120 L137 L139I110-K114 HydrophobicContact CG2-CG 3.93Å; I110-K114 VanDerWaalsContact O-CB 3.25Å; I110-K114 WeakPolarHBondContact O-CB 3.19Å; I110-K114 VanDerWaalsContact O-CG 3.25Å; I110-K114 WeakPolarHBondContact O-CG 3.48Å; I110-K114 PolarHBondContact O-N 3.49Å; N111-K114 PolarHBondContact O-N 2.89Å; K114-N116 VanDerWaalsContact C-N 3.3Å; K114-D120 WeakPolarHBondContact CD-OD1 3.23Å; K114-D120 WeakPolarHBondContact CE-OD1 3.08Å; K114-D120 IonicContact NZ-OD1 2.74Å; K114-D120 PolarHBondContact NZ-OD1 2.98Å; K114-D120 IonicContact NZ-OD2 2.73Å; K114-L137 HydrophobicContact CD-CB 4.19Å; K114-L137 HydrophobicContact CG-CB 4.46Å; K114-L139 HydrophobicContact CB-CD1 3.3Å; K114-L139 HydrophobicContact CG-CD1 3.82Å
115S87.5Confident92.8Very high96 Ų9655.1 Ų55.167%0.67128%0.277SS*.SBendtrans-76.1-18.2179.758.40000113.2N111N111-S115 WeakPolarHBondContact O-CB 3.27Å; N111-S115 PolarHBondContact O-N 3.32Å; N111-S115 PolarHBondContact O-OG 3.37Å
116N90Very high92.7Very high67 Ų6754.7 Ų54.736%0.35828%0.275SS..SBendtrans-110.8116.3177.3-177.4-35.1000110.4K114 L118 N119 D120K114-N116 VanDerWaalsContact C-N 3.3Å; N116-L118 PolarHBondContact O-N 3.49Å; N116-L118 WeakPolarHBondContact OD1-CA 3.02Å; N116-L118 VanDerWaalsContact OD1-CB 3.28Å; N116-L118 WeakPolarHBondContact OD1-CB 3.5Å; N116-L118 PolarHBondContact OD1-N 2.91Å; N116-N119 HydrophobicContact CB-CB 3.96Å; N116-N119 PolarHBondContact O-N 3.16Å; N116-N119 VanDerWaalsContact O-N 3.1Å; N116-N119 PolarHBondContact OD1-N 2.99Å; N116-D120 PolarHBondContact O-N 3.36Å
117P91.3Very high92.5Very high93 Ų9354.7 Ų54.760%0.60428%0.275SS*.Hα-helixtrans-60.4-26.8180-25.634.4000115.2R121P117-R121 VanDerWaalsContact O-CG 3.31Å; P117-R121 WeakPolarHBondContact O-CG 3.4Å; P117-R121 PolarHBondContact O-N 3.49Å; P117-R121 PolarHBondContact O-NE 3.01Å; P117-R121 VanDerWaalsContact O-NE 3.15Å
118L93.3Very high92.3Very high88 Ų8859.8 Ų59.846%0.46130%0.296SS..Hα-helixtrans-70.5-49.3172.6179.561.8000110.1N116 D120 R121 L122N116-L118 PolarHBondContact O-N 3.49Å; N116-L118 WeakPolarHBondContact OD1-CA 3.02Å; N116-L118 VanDerWaalsContact OD1-CB 3.28Å; N116-L118 WeakPolarHBondContact OD1-CB 3.5Å; N116-L118 PolarHBondContact OD1-N 2.91Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 2.95Å; L118-R121 PolarHBondContact O-N 3.44Å; L118-R121 VanDerWaalsContact O-N 3.09Å; L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD1-CG 4.13Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.31Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.36Å
119N93.5Very high92.2Very high30 Ų3062.8 Ų62.816%0.1631%0.308CS..Hα-helixtrans-59-43.5178-66.9-1.7000111.5K112 I113 N116 R121 L122 F123 F165K112-N119 PolarHBondContact O-ND2 3.09Å; I113-N119 WeakPolarHBondContact O-CB 3.37Å; N116-N119 HydrophobicContact CB-CB 3.96Å; N116-N119 PolarHBondContact O-N 3.16Å; N116-N119 VanDerWaalsContact O-N 3.1Å; N116-N119 PolarHBondContact OD1-N 2.99Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.43Å; N119-L122 PolarHBondContact O-N 3.16Å; N119-F123 WeakPolarHBondContact O-CB 2.78Å; N119-F123 PolarHBondContact O-N 3.36Å; N119-F165 HydrophobicContact CB-CE1 4.49Å; N119-F165 HydrophobicContact CB-CZ 3.82Å
120D92.1Very high91.6Very high15 Ų1565.8 Ų65.88%0.0833%0.329CS..Hα-helixtrans-62.2-36.5176.8-173.966.8000112.2I113 K114 N116 L118 R124I113-D120 PolarHBondContact O-N 3.27Å; K114-D120 WeakPolarHBondContact CD-OD1 3.23Å; K114-D120 WeakPolarHBondContact CE-OD1 3.08Å; K114-D120 IonicContact NZ-OD1 2.74Å; K114-D120 PolarHBondContact NZ-OD1 2.98Å; K114-D120 IonicContact NZ-OD2 2.73Å; N116-D120 PolarHBondContact O-N 3.36Å; L118-D120 VanDerWaalsContact C-N 3.32Å; L118-D120 PolarHBondContact O-N 2.95Å; D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 WeakPolarHBondContact O-CD 3.38Å; D120-R124 WeakPolarHBondContact O-CG 3.26Å; D120-R124 PolarHBondContact O-N 3.05Å; D120-R124 IonicContact OD1-NE 2.83Å; D120-R124 IonicContact OD2-CZ 2.77Å; D120-R124 IonicContact OD2-NE 3.62Å; D120-R124 PolarHBondContact OD2-NE 2.92Å; D120-R124 IonicContact OD2-NH2 3.53Å; D120-R124 PolarHBondContact OD2-NH2 3.47Å
121R94.1Very high91.3Very high158 Ų15872.2 Ų72.260%0.59636%0.363SS*.Hα-helixtrans-71.2-45.9175.7-77.1-177.5-68172.92112.3P117 L118 N119 R124 Q125P117-R121 VanDerWaalsContact O-CG 3.31Å; P117-R121 WeakPolarHBondContact O-CG 3.4Å; P117-R121 PolarHBondContact O-N 3.49Å; P117-R121 PolarHBondContact O-NE 3.01Å; P117-R121 VanDerWaalsContact O-NE 3.15Å; L118-R121 PolarHBondContact O-N 3.44Å; L118-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.43Å; R121-R124 WeakPolarHBondContact O-CB 3.45Å; R121-R124 PolarHBondContact O-N 2.91Å; R121-Q125 PolarHBondContact O-N 3.1Å
122L94Very high90.8Very high67 Ų6769.5 Ų69.535%0.35135%0.352SS..Hα-helixtrans-61.2-45.6177.1-70.5174.7000110.9L118 N119 R124 Q125 L126 F165L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD1-CG 4.13Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.31Å; L118-L122 WeakPolarHBondContact O-CG 3.49Å; L118-L122 PolarHBondContact O-N 3.36Å; N119-L122 PolarHBondContact O-N 3.16Å; L122-R124 PolarHBondContact O-N 3.27Å; L122-Q125 WeakPolarHBondContact O-CB 3.37Å; L122-Q125 PolarHBondContact O-N 2.79Å; L122-Q125 VanDerWaalsContact O-N 3.16Å; L122-L126 PolarHBondContact O-N 2.81Å; L122-F165 HydrophobicContact CB-CE2 3.97Å
123F93.4Very high90.4Very high0 Ų072.4 Ų72.40%037%0.366CS..Hα-helixtrans-62.7-41176.7-176.1-97.8000112.4I113 N119 Q125 L126 C127 L137 L158 A161 V162 F165I113-F123 HydrophobicContact CD1-CD2 3.85Å; I113-F123 HydrophobicContact CD1-CE2 4.04Å; I113-F123 HydrophobicContact CD1-CG 4.24Å; I113-F123 HydrophobicContact CG2-CB 3.74Å; I113-F123 HydrophobicContact CG2-CD1 4.1Å; I113-F123 HydrophobicContact CG2-CD2 4.49Å; I113-F123 HydrophobicContact CG2-CG 3.84Å; N119-F123 WeakPolarHBondContact O-CB 2.78Å; N119-F123 PolarHBondContact O-N 3.36Å; F123-Q125 VanDerWaalsContact C-N 3.31Å; F123-Q125 PolarHBondContact O-N 3.22Å; F123-L126 PolarHBondContact O-N 3.22Å; F123-C127 WeakPolarHBondContact CE1-SG 3.49Å; F123-C127 VanDerWaalsContact CZ-SG 3.57Å; F123-C127 PolarHBondContact O-N 3.37Å; F123-C127 PolarHBondContact O-SG 3.24Å; F123-L137 HydrophobicContact CD1-CG 4.4Å; F123-L137 HydrophobicContact CE1-CD1 4.04Å; F123-L137 HydrophobicContact CE1-CD2 4.43Å; F123-L137 HydrophobicContact CE1-CG 3.65Å; F123-L137 HydrophobicContact CZ-CD1 4.12Å; F123-L137 HydrophobicContact CZ-CD2 4.47Å; F123-L137 HydrophobicContact CZ-CG 4.01Å; F123-L158 HydrophobicContact CE1-CD1 3.93Å; F123-L158 HydrophobicContact CZ-CB 4.22Å; F123-L158 HydrophobicContact CZ-CD1 4.1Å; F123-A161 HydrophobicContact CE2-CB 4.22Å; F123-A161 HydrophobicContact CZ-CB 4.4Å; F123-V162 HydrophobicContact CE2-CB 4.39Å; F123-V162 HydrophobicContact CE2-CG2 3.7Å; F123-V162 HydrophobicContact CZ-CG2 3.67Å; F123-F165 HydrophobicContact CB-CD2 4.07Å; F123-F165 HydrophobicContact CB-CE2 4.14Å; F123-F165 HydrophobicContact CD2-CB 3.9Å; F123-F165 HydrophobicContact CD2-CD2 4.03Å; F123-F165 AromaticContact CD2-CG 3.91Å; F123-F165 HydrophobicContact CD2-CG 3.91Å; F123-F165 HydrophobicContact CE2-CB 4.34Å
124R92.2Very high90Very high98 Ų9875.5 Ų75.537%0.3738%0.378SS..Hα-helixtrans-61.2-40173.5-77.1167.8-168.7-152.914.1112.3D120 R121 L122 K128 K135 R136D120-R124 WeakPolarHBondContact O-CB 3.16Å; D120-R124 WeakPolarHBondContact O-CD 3.38Å; D120-R124 WeakPolarHBondContact O-CG 3.26Å; D120-R124 PolarHBondContact O-N 3.05Å; D120-R124 IonicContact OD1-NE 2.83Å; D120-R124 IonicContact OD2-CZ 2.77Å; D120-R124 IonicContact OD2-NE 3.62Å; D120-R124 PolarHBondContact OD2-NE 2.92Å; D120-R124 IonicContact OD2-NH2 3.53Å; D120-R124 PolarHBondContact OD2-NH2 3.47Å; R121-R124 WeakPolarHBondContact O-CB 3.45Å; R121-R124 PolarHBondContact O-N 2.91Å; L122-R124 PolarHBondContact O-N 3.27Å; R124-K128 WeakPolarHBondContact O-CG 3.43Å; R124-K128 PolarHBondContact O-N 3.36Å; R124-K135 WeakPolarHBondContact CA-O 3.49Å; R124-K135 WeakPolarHBondContact CG-O 3.43Å; R124-R136 HydrophobicContact CG-CB 4.37Å
125Q92.3Very high89.9Confident106 Ų10676.3 Ų76.350%0.49538%0.382SS..Hα-helixtrans-65.3-47.5177.5178.1173.7-11.100110.3R121 L122 F123 C127 K128 E129R121-Q125 PolarHBondContact O-N 3.1Å; L122-Q125 WeakPolarHBondContact O-CB 3.37Å; L122-Q125 PolarHBondContact O-N 2.79Å; L122-Q125 VanDerWaalsContact O-N 3.16Å; F123-Q125 VanDerWaalsContact C-N 3.31Å; F123-Q125 PolarHBondContact O-N 3.22Å; Q125-C127 VanDerWaalsContact C-N 3.33Å; Q125-C127 PolarHBondContact O-N 3.29Å; Q125-K128 WeakPolarHBondContact O-CA 3.49Å; Q125-K128 WeakPolarHBondContact O-CB 3.31Å; Q125-K128 PolarHBondContact O-N 3.29Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.42Å; Q125-E129 PolarHBondContact NE2-OE1 2.78Å; Q125-E129 PolarHBondContact O-N 3.12Å
126L92.4Very high89.9Confident24 Ų2478.3 Ų78.313%0.12638%0.375CS..Hα-helixtrans-52.9-50.5175.1-176.564.6000111.3L122 F123 K128 E129 S130 A161 E164 F165L122-L126 PolarHBondContact O-N 2.81Å; F123-L126 PolarHBondContact O-N 3.22Å; L126-K128 PolarHBondContact O-N 2.82Å; L126-E129 PolarHBondContact O-N 3.28Å; L126-E129 VanDerWaalsContact O-N 3.1Å; L126-S130 PolarHBondContact O-N 3.47Å; L126-S130 VanDerWaalsContact O-N 3.07Å; L126-S130 PolarHBondContact O-OG 3Å; L126-A161 HydrophobicContact CD2-CB 4.37Å; L126-A161 VanDerWaalsContact CD2-O 3.29Å; L126-A161 WeakPolarHBondContact CD2-O 3.44Å; L126-E164 HydrophobicContact CD1-CG 4.33Å; L126-E164 HydrophobicContact CD2-CB 4.24Å; L126-E164 HydrophobicContact CD2-CG 4.24Å; L126-F165 HydrophobicContact CD2-CB 3.94Å
127C91.4Very high89.7Confident0 Ų075.3 Ų75.30%036%0.359CS..Hα-helixtrans-61.8-25.1177.7-63.80000114.1F123 Q125 A132 K135F123-C127 WeakPolarHBondContact CE1-SG 3.49Å; F123-C127 VanDerWaalsContact CZ-SG 3.57Å; F123-C127 PolarHBondContact O-N 3.37Å; F123-C127 PolarHBondContact O-SG 3.24Å; Q125-C127 VanDerWaalsContact C-N 3.33Å; Q125-C127 PolarHBondContact O-N 3.29Å; C127-A132 HydrophobicContact CB-CB 4.2Å; C127-A132 WeakPolarHBondContact O-CB 3.28Å; C127-A132 PolarHBondContact O-N 3.17Å; C127-K135 HydrophobicContact CB-CD 4.15Å; C127-K135 WeakPolarHBondContact O-CD 3.46Å; C127-K135 PolarHBondContact O-NZ 3.01Å
128K90.3Very high89.4Confident140 Ų14072.8 Ų72.861%0.60934%0.34SS*.Hα-helixtrans-76.5-41.4174.8-74.4175.4179.2-174.40110.9R124 Q125 L126 D131 K135R124-K128 WeakPolarHBondContact O-CG 3.43Å; R124-K128 PolarHBondContact O-N 3.36Å; Q125-K128 WeakPolarHBondContact O-CA 3.49Å; Q125-K128 WeakPolarHBondContact O-CB 3.31Å; Q125-K128 PolarHBondContact O-N 3.29Å; L126-K128 PolarHBondContact O-N 2.82Å; K128-D131 PolarHBondContact O-N 3.18Å; K128-K135 HydrophobicContact CG-CD 3.86Å; K128-K135 HydrophobicContact CG-CG 4.22Å
129E90.7Very high88.6Confident132 Ų13272.9 Ų72.962%0.61734%0.34SS*.Hα-helixtrans-66.5-36.4-179.6-69.2168.8-174.400111.9Q125 L126 D131Q125-E129 WeakPolarHBondContact CG-OE1 3.42Å; Q125-E129 PolarHBondContact NE2-OE1 2.78Å; Q125-E129 PolarHBondContact O-N 3.12Å; L126-E129 PolarHBondContact O-N 3.28Å; L126-E129 VanDerWaalsContact O-N 3.1Å; E129-D131 VanDerWaalsContact C-N 3.28Å; E129-D131 PolarHBondContact O-N 3.32Å
130S84.1Confident87.3Confident63 Ų6372.7 Ų72.744%0.44134%0.338SS..THydrogen-bonded Turntrans-85.410.8174.521.40000114.6L126 A132L126-S130 PolarHBondContact O-N 3.47Å; L126-S130 VanDerWaalsContact O-N 3.07Å; L126-S130 PolarHBondContact O-OG 3Å; S130-A132 PolarHBondContact O-N 3.31Å
131D85.6Confident85.9Confident136 Ų13674.6 Ų74.673%0.72735%0.351SS*.THydrogen-bonded Turntrans45.836.3-175.3-159.627.4000115.2K128 E129 K135K128-D131 PolarHBondContact O-N 3.18Å; E129-D131 VanDerWaalsContact C-N 3.28Å; E129-D131 PolarHBondContact O-N 3.32Å; D131-K135 VanDerWaalsContact C-NZ 3.34Å; D131-K135 IonicContact OD1-NZ 2.97Å
132A82Confident84.1Confident20 Ų2073.5 Ų73.517%0.16535%0.352CS..  trans-64.5145.9-177.600000112.4C127 S130 Y134 K135 L158C127-A132 HydrophobicContact CB-CB 4.2Å; C127-A132 WeakPolarHBondContact O-CB 3.28Å; C127-A132 PolarHBondContact O-N 3.17Å; S130-A132 PolarHBondContact O-N 3.31Å; A132-Y134 PolarHBondContact O-N 3.4Å; A132-Y134 VanDerWaalsContact O-N 3.17Å; A132-K135 VanDerWaalsContact N-NZ 3.18Å; A132-K135 VanDerWaalsContact O-CE 3.31Å; A132-K135 WeakPolarHBondContact O-CE 3.4Å; A132-K135 PolarHBondContact O-NZ 2.99Å; A132-L158 HydrophobicContact CB-CD2 3.61Å
133E84.1Confident82Confident139 Ų13975.8 Ų75.865%0.6537%0.369SS*.SBendtrans-52.9-40.6179.3-174.6-168.6160.400112.2
134Y86.2Confident80.5Confident64 Ų6479.5 Ų79.525%0.25138%0.383SS..  trans-111144.9176.4-58.8-70000111A132 R154 C157 L158A132-Y134 PolarHBondContact O-N 3.4Å; A132-Y134 VanDerWaalsContact O-N 3.17Å; Y134-R154 HydrophobicContact CD1-CG 4.44Å; Y134-R154 HydrophobicContact CD2-CG 3.79Å; Y134-R154 VanDerWaalsContact CE1-NE 3.34Å; Y134-R154 HydrophobicContact CE2-CG 4.46Å; Y134-R154 HydrophobicContact CG-CG 3.79Å; Y134-R154 VanDerWaalsContact CG-NE 3.27Å; Y134-C157 HydrophobicContact CD2-CB 3.81Å; Y134-C157 HydrophobicContact CE2-CB 3.92Å; Y134-L158 WeakPolarHBondContact O-CD2 3.35Å
135K88.2Confident79.3Confident67 Ų6776.1 Ų76.129%0.29137%0.37SS..SBendtrans-101.7-2.9176.6-52.3-51.6-173.4-167.40113.6R124 C127 K128 D131 A132R124-K135 WeakPolarHBondContact CA-O 3.49Å; R124-K135 WeakPolarHBondContact CG-O 3.43Å; C127-K135 HydrophobicContact CB-CD 4.15Å; C127-K135 WeakPolarHBondContact O-CD 3.46Å; C127-K135 PolarHBondContact O-NZ 3.01Å; K128-K135 HydrophobicContact CG-CD 3.86Å; K128-K135 HydrophobicContact CG-CG 4.22Å; D131-K135 VanDerWaalsContact C-NZ 3.34Å; D131-K135 IonicContact OD1-NZ 2.97Å; A132-K135 VanDerWaalsContact N-NZ 3.18Å; A132-K135 VanDerWaalsContact O-CE 3.31Å; A132-K135 WeakPolarHBondContact O-CE 3.4Å; A132-K135 PolarHBondContact O-NZ 2.99Å
136R87.3Confident77.9Confident138 Ų13873.4 Ų73.452%0.52136%0.359SS..SBendtrans-150.1145.8-177.568.8-178.4-173.6176.50.8112.5R124 R154R124-R136 HydrophobicContact CG-CB 4.37Å; R136-R154 WeakPolarHBondContact O-CD 3.48Å
137L86.4Confident76.9Confident3 Ų373.6 Ų73.62%0.01636%0.362CS..PPolyproline II helixtrans-74.8153.3165.5-67.9172000111.6I110 I113 K114 F123 F155 L158 V162I110-L137 HydrophobicContact CG1-CD1 4.31Å; I113-L137 HydrophobicContact CB-CD1 4.34Å; I113-L137 HydrophobicContact CD1-CD1 3.58Å; I113-L137 HydrophobicContact CG2-CD1 4.33Å; K114-L137 HydrophobicContact CD-CB 4.19Å; K114-L137 HydrophobicContact CG-CB 4.46Å; F123-L137 HydrophobicContact CD1-CG 4.4Å; F123-L137 HydrophobicContact CE1-CD1 4.04Å; F123-L137 HydrophobicContact CE1-CD2 4.43Å; F123-L137 HydrophobicContact CE1-CG 3.65Å; F123-L137 HydrophobicContact CZ-CD1 4.12Å; F123-L137 HydrophobicContact CZ-CD2 4.47Å; F123-L137 HydrophobicContact CZ-CG 4.01Å; L137-F155 HydrophobicContact CD1-CD2 4.39Å; L137-F155 HydrophobicContact CD2-CB 4.26Å; L137-F155 HydrophobicContact CD2-CD2 3.91Å; L137-F155 HydrophobicContact CD2-CG 4.47Å; L137-L158 HydrophobicContact CD2-CB 4.48Å; L137-L158 HydrophobicContact CD2-CD1 4.05Å; L137-L158 HydrophobicContact CG-CD1 4.48Å; L137-V162 HydrophobicContact CD1-CG2 4.2Å; L137-V162 HydrophobicContact CD2-CG2 4.38Å
138L83.3Confident76.4Confident41 Ų4174.8 Ų74.822%0.21537%0.367CS..PPolyproline II helixtrans-91.7135.2169.8-66179.2000109.8I110 A150 C151 R154I110-L138 WeakPolarHBondContact CG2-O 3.36Å; L138-A150 HydrophobicContact CD1-CB 3.87Å; L138-C151 HydrophobicContact CB-CB 4.28Å; L138-C151 PolarHBondContact O-SG 3.07Å; L138-R154 VanDerWaalsContact CD2-NH1 3.35Å
139L77.1Confident76.1Confident89 Ų8968.3 Ų68.347%0.46634%0.34SS..PPolyproline II helixtrans-78.8130.2167.9-155.593000108.5I110 K114 T141I110-L139 HydrophobicContact CG2-CD1 4.46Å; K114-L139 HydrophobicContact CB-CD1 3.3Å; K114-L139 HydrophobicContact CG-CD1 3.82Å; L139-T141 HydrophobicContact CD2-CG2 4.29Å
140H67Low75.8Confident26 Ų2663.9 Ų63.912%0.1233%0.327CS..PPolyproline II helixtrans-101.9135.1169.9174.257000109.3M107 R144 S147 C151M107-H140 HydrophobicContact SD-CB 4.24Å; H140-R144 PolarHBondContact CE1-O 3.3Å; H140-R144 VanDerWaalsContact CE1-O 3.22Å; H140-R144 PolarHBondContact ND1-O 2.92Å; H140-S147 PolarHBondContact ND1-OG 3.23Å; H140-C151 HydrophobicContact CB-CB 4.18Å
141T62.2Low76.1Confident55 Ų5561 Ų6134%0.33731%0.306SS..  trans-116.8144.9165.563.40000108.6L139 V143 R144L139-T141 HydrophobicContact CD2-CG2 4.29Å; T141-V143 PolarHBondContact O-N 3.36Å; T141-R144 CarbonylContact O-C 3.48Å; T141-R144 WeakPolarHBondContact O-CA 3.15Å; T141-R144 PolarHBondContact O-N 2.92Å
142E57.1Low76.4Confident135 Ų13554.5 Ų54.563%0.63127%0.271SS*.G310 helixtrans-54.6-29-179.9-73.7-150.5-166.200113.1K93 R144K93-E142 IonicContact NZ-OE2 3.1Å; K93-E142 PolarHBondContact NZ-OE2 3.49Å; E142-R144 PolarHBondContact O-N 3.37Å
143V50.1Low76.9Confident115 Ų11555 Ų5570%0.69727%0.272SS*.G310 helixtrans-64.9-29.1177.4-170.60000111.8T141T141-V143 PolarHBondContact O-N 3.36Å
144R61.8Low77.3Confident79 Ų7951 Ų5130%0.29825%0.251SS..G310 helixtrans-109.560.5175.9-67.8-176.9-135.7-178.26.3110.3H140 T141 E142 L146 S147 D359H140-R144 PolarHBondContact CE1-O 3.3Å; H140-R144 VanDerWaalsContact CE1-O 3.22Å; H140-R144 PolarHBondContact ND1-O 2.92Å; T141-R144 CarbonylContact O-C 3.48Å; T141-R144 WeakPolarHBondContact O-CA 3.15Å; T141-R144 PolarHBondContact O-N 2.92Å; E142-R144 PolarHBondContact O-N 3.37Å; R144-L146 PolarHBondContact O-N 2.85Å; R144-S147 WeakPolarHBondContact O-CB 3.24Å; R144-S147 PolarHBondContact O-N 3.23Å; R144-S147 PolarHBondContact O-OG 3.14Å; R144-D359 IonicContact CZ-OD1 2.99Å; R144-D359 IonicContact CZ-OD2 3.3Å; R144-D359 VanDerWaalsContact NH1-CG 3.28Å; R144-D359 IonicContact NH1-OD1 3.33Å; R144-D359 PolarHBondContact NH1-OD1 2.57Å; R144-D359 IonicContact NH1-OD2 3.35Å; R144-D359 PolarHBondContact NH1-OD2 3.28Å; R144-D359 IonicContact NH2-OD1 3.16Å; R144-D359 PolarHBondContact NH2-OD1 3.1Å; R144-D359 IonicContact NH2-OD2 3.11Å
145W65.4Low77.7Confident27 Ų2747.9 Ų47.910%0.10224%0.239CC..THydrogen-bonded Turntrans-50.9-33.3175.878.2-96.6000112.8I85 E88 H89 S147 K148 N198I85-W145 HydrophobicContact CB-CZ2 4.18Å; I85-W145 HydrophobicContact CG2-CH2 4.5Å; I85-W145 HydrophobicContact CG2-CZ2 3.37Å; I85-W145 WeakPolarHBondContact O-CZ2 3.43Å; E88-W145 HydrophobicContact CB-CH2 4.13Å; E88-W145 VanDerWaalsContact CD-CH2 3.42Å; E88-W145 HydrophobicContact CG-CH2 3.9Å; E88-W145 HydrophobicContact CG-CZ3 4.24Å; E88-W145 WeakPolarHBondContact OE2-CH2 3.43Å; H89-W145 HydrophobicContact CB-CD2 3.73Å; H89-W145 HydrophobicContact CB-CE3 4.19Å; H89-W145 HydrophobicContact CB-CG 3.95Å; H89-W145 HydrophobicContact CB-CZ2 4.17Å; H89-W145 WeakPolarHBondContact CE1-CB 3.24Å; H89-W145 AromaticContact CE1-CG 3.87Å; H89-W145 AromaticContact CG-CD1 3.98Å; H89-W145 AromaticContact CG-CG 3.72Å; H89-W145 WeakPolarHBondContact ND1-CB 3.4Å; H89-W145 AromaticContact ND1-CD2 3.88Å; H89-W145 AromaticContact ND1-CG 3.42Å; W145-S147 PolarHBondContact O-N 3.28Å; W145-K148 WeakPolarHBondContact O-CB 3.19Å; W145-K148 PolarHBondContact O-N 3.13Å; W145-N198 HydrophobicContact CH2-CB 4.43Å; W145-N198 WeakPolarHBondContact CH2-ND2 3.39Å
146L62.5Low78.1Confident48 Ų4845.9 Ų45.925%0.25123%0.23SC..THydrogen-bonded Turntrans-53.3-34.9172.4-59.3-178.6000114.1R144 K148 N198R144-L146 PolarHBondContact O-N 2.85Å; L146-K148 PolarHBondContact O-N 2.85Å; L146-N198 WeakPolarHBondContact CD2-ND2 3.43Å; L146-N198 WeakPolarHBondContact CD2-OD1 3.5Å
147S71.7Confident78.5Confident29 Ų2941.9 Ų41.920%0.20322%0.223CC..Hα-helixtrans-74.4-11.317966.60000113.5H140 R144 W145 G149 A150 C151H140-S147 PolarHBondContact ND1-OG 3.23Å; R144-S147 WeakPolarHBondContact O-CB 3.24Å; R144-S147 PolarHBondContact O-N 3.23Å; R144-S147 PolarHBondContact O-OG 3.14Å; W145-S147 PolarHBondContact O-N 3.28Å; S147-G149 PolarHBondContact O-N 2.79Å; S147-A150 PolarHBondContact O-N 3Å; S147-C151 WeakPolarHBondContact O-CB 3.38Å; S147-C151 PolarHBondContact O-N 3.34Å
148K81.4Confident79Confident24 Ų2441.9 Ų41.910%0.10422%0.223CC..Hα-helixtrans-67.8-38.2-172.4-165.6169.6172.6-162.20112.2M107 W145 L146 C151 L152 Y191M107-K148 HydrophobicContact CE-CG 4.21Å; W145-K148 WeakPolarHBondContact O-CB 3.19Å; W145-K148 PolarHBondContact O-N 3.13Å; L146-K148 PolarHBondContact O-N 2.85Å; K148-C151 WeakPolarHBondContact O-CB 3.31Å; K148-C151 PolarHBondContact O-N 3.23Å; K148-L152 HydrophobicContact CG-CD1 3.97Å; K148-L152 HydrophobicContact CG-CG 4.48Å; K148-L152 WeakPolarHBondContact O-CB 3.18Å; K148-L152 VanDerWaalsContact O-CG 3.27Å; K148-L152 WeakPolarHBondContact O-CG 3.47Å; K148-L152 PolarHBondContact O-N 3.11Å; K148-Y191 HydrophobicContact CB-CD1 4.29Å; K148-Y191 HydrophobicContact CB-CE1 4.39Å; K148-Y191 HydrophobicContact CD-CD1 4.23Å; K148-Y191 HydrophobicContact CD-CE1 3.57Å; K148-Y191 HydrophobicContact CG-CD1 4.04Å; K148-Y191 HydrophobicContact CG-CE1 3.9Å; K148-Y191 PolarHBondContact NZ-OH 3.06Å
149G83.9Confident79.6Confident4 Ų440.4 Ų40.44%0.04121%0.214CC..Hα-helixtrans-62.5-54.217400000112.2S147 C151 L152 T153S147-G149 PolarHBondContact O-N 2.79Å; G149-C151 PolarHBondContact O-N 3.43Å; G149-L152 PolarHBondContact O-N 3.4Å; G149-L152 VanDerWaalsContact O-N 3.16Å; G149-T153 WeakPolarHBondContact O-CB 3.29Å; G149-T153 PolarHBondContact O-N 3.21Å; G149-T153 PolarHBondContact O-OG1 2.7Å
150A84.8Confident80.4Confident40 Ų4042.6 Ų42.633%0.33122%0.222SC..Hα-helixtrans-57.7-36.317600000112.9L138 S147 R154L138-A150 HydrophobicContact CD1-CB 3.87Å; S147-A150 PolarHBondContact O-N 3Å; A150-R154 VanDerWaalsContact O-CB 3.24Å; A150-R154 WeakPolarHBondContact O-CB 3.46Å; A150-R154 PolarHBondContact O-N 3.19Å
151C89.4Confident81.8Confident1 Ų141.7 Ų41.71%0.00722%0.219CC..Hα-helixtrans-65.3-48.7176.6-178.80000111.9I110 L138 H140 S147 K148 G149 R154 F155I110-C151 WeakPolarHBondContact CD1-SG 3.2Å; L138-C151 HydrophobicContact CB-CB 4.28Å; L138-C151 PolarHBondContact O-SG 3.07Å; H140-C151 HydrophobicContact CB-CB 4.18Å; S147-C151 WeakPolarHBondContact O-CB 3.38Å; S147-C151 PolarHBondContact O-N 3.34Å; K148-C151 WeakPolarHBondContact O-CB 3.31Å; K148-C151 PolarHBondContact O-N 3.23Å; G149-C151 PolarHBondContact O-N 3.43Å; C151-R154 PolarHBondContact O-N 2.92Å; C151-F155 VanDerWaalsContact O-CB 3.27Å; C151-F155 WeakPolarHBondContact O-CB 3.34Å; C151-F155 PolarHBondContact O-N 2.87Å
152L93.1Very high83.5Confident0 Ų039 Ų390%020%0.203CC..Hα-helixtrans-67.7-44.2179.4-71.8165.8000112.2L103 V106 M107 K148 G149 R154 F155 Y156 F187 Y191L103-L152 HydrophobicContact CD1-CD1 4.27Å; L103-L152 HydrophobicContact CD1-CD2 3.96Å; V106-L152 HydrophobicContact CG1-CD2 3.87Å; M107-L152 HydrophobicContact CE-CD2 4.37Å; K148-L152 HydrophobicContact CG-CD1 3.97Å; K148-L152 HydrophobicContact CG-CG 4.48Å; K148-L152 WeakPolarHBondContact O-CB 3.18Å; K148-L152 VanDerWaalsContact O-CG 3.27Å; K148-L152 WeakPolarHBondContact O-CG 3.47Å; K148-L152 PolarHBondContact O-N 3.11Å; G149-L152 PolarHBondContact O-N 3.4Å; G149-L152 VanDerWaalsContact O-N 3.16Å; L152-R154 PolarHBondContact O-N 3.35Å; L152-F155 PolarHBondContact O-N 3.02Å; L152-Y156 PolarHBondContact O-N 3.23Å; L152-F187 HydrophobicContact CD1-CB 4.14Å; L152-F187 HydrophobicContact CD2-CB 4.28Å; L152-Y191 HydrophobicContact CD1-CD1 3.91Å; L152-Y191 HydrophobicContact CD1-CD2 3.59Å; L152-Y191 HydrophobicContact CD1-CE1 4.35Å; L152-Y191 HydrophobicContact CD1-CE2 4.08Å; L152-Y191 HydrophobicContact CD1-CG 3.49Å; L152-Y191 VanDerWaalsContact CD1-CG 3.49Å
153T91.9Very high85.4Confident30 Ų3033.6 Ų33.618%0.18418%0.179CC..Hα-helixtrans-57.1-49.8174.3-55.40000110.4G149 F155 Y156 C157G149-T153 WeakPolarHBondContact O-CB 3.29Å; G149-T153 PolarHBondContact O-N 3.21Å; G149-T153 PolarHBondContact O-OG1 2.7Å; T153-F155 PolarHBondContact O-N 3.36Å; T153-Y156 PolarHBondContact O-N 2.77Å; T153-C157 PolarHBondContact O-N 3.26Å; T153-C157 PolarHBondContact O-SG 3.35Å
154R92.6Very high87.6Confident55 Ų5533.3 Ų33.321%0.20817%0.17CC..Hα-helixtrans-66.8-36.1179.3-172.9157.1-61.2148.61.3113.2Y134 R136 L138 A150 C151 L152 Y156 L158Y134-R154 HydrophobicContact CD1-CG 4.44Å; Y134-R154 HydrophobicContact CD2-CG 3.79Å; Y134-R154 VanDerWaalsContact CE1-NE 3.34Å; Y134-R154 HydrophobicContact CE2-CG 4.46Å; Y134-R154 HydrophobicContact CG-CG 3.79Å; Y134-R154 VanDerWaalsContact CG-NE 3.27Å; R136-R154 WeakPolarHBondContact O-CD 3.48Å; L138-R154 VanDerWaalsContact CD2-NH1 3.35Å; A150-R154 VanDerWaalsContact O-CB 3.24Å; A150-R154 WeakPolarHBondContact O-CB 3.46Å; A150-R154 PolarHBondContact O-N 3.19Å; C151-R154 PolarHBondContact O-N 2.92Å; L152-R154 PolarHBondContact O-N 3.35Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; R154-L158 HydrophobicContact CG-CD1 4.25Å; R154-L158 WeakPolarHBondContact O-CG 3.44Å; R154-L158 PolarHBondContact O-N 2.85Å
155F95.6Very high89.2Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-60.6-44.7175-175.8-86.9000110.7V106 A109 I110 L137 C151 L152 T153 L158 F159 V162 L177 I184V106-F155 HydrophobicContact CB-CE1 4.44Å; V106-F155 HydrophobicContact CB-CZ 4.49Å; V106-F155 HydrophobicContact CG1-CB 4.37Å; V106-F155 HydrophobicContact CG1-CD1 3.79Å; V106-F155 HydrophobicContact CG1-CD2 3.87Å; V106-F155 HydrophobicContact CG1-CE1 3.96Å; V106-F155 HydrophobicContact CG1-CE2 4.03Å; V106-F155 HydrophobicContact CG1-CG 3.74Å; V106-F155 HydrophobicContact CG1-CZ 4.06Å; V106-F155 HydrophobicContact CG2-CD1 4.33Å; V106-F155 HydrophobicContact CG2-CE1 3.99Å; V106-F155 HydrophobicContact CG2-CZ 4.4Å; A109-F155 HydrophobicContact CB-CE2 3.82Å; A109-F155 HydrophobicContact CB-CZ 3.95Å; I110-F155 HydrophobicContact CD1-CD2 3.89Å; I110-F155 HydrophobicContact CD1-CE2 4.49Å; I110-F155 HydrophobicContact CG1-CD2 3.54Å; I110-F155 HydrophobicContact CG1-CE2 3.9Å; L137-F155 HydrophobicContact CD1-CD2 4.39Å; L137-F155 HydrophobicContact CD2-CB 4.26Å; L137-F155 HydrophobicContact CD2-CD2 3.91Å; L137-F155 HydrophobicContact CD2-CG 4.47Å; C151-F155 VanDerWaalsContact O-CB 3.27Å; C151-F155 WeakPolarHBondContact O-CB 3.34Å; C151-F155 PolarHBondContact O-N 2.87Å; L152-F155 PolarHBondContact O-N 3.02Å; T153-F155 PolarHBondContact O-N 3.36Å; F155-L158 CarbonylContact O-C 3.38Å; F155-L158 PolarHBondContact O-N 3.37Å; F155-F159 HydrophobicContact CE1-CD2 4.02Å; F155-F159 HydrophobicContact CE1-CE2 4.38Å; F155-F159 PolarHBondContact O-N 2.97Å; F155-F159 VanDerWaalsContact O-N 3.07Å; F155-V162 HydrophobicContact CD2-CG2 4.37Å; F155-V162 HydrophobicContact CE2-CG1 3.87Å; F155-V162 HydrophobicContact CE2-CG2 4.07Å; F155-V162 HydrophobicContact CZ-CB 4.45Å; F155-V162 HydrophobicContact CZ-CG1 3.72Å; F155-V162 HydrophobicContact CZ-CG2 4.43Å; F155-L177 HydrophobicContact CE1-CD2 4.3Å; F155-L177 HydrophobicContact CZ-CD1 4.43Å; F155-L177 HydrophobicContact CZ-CD2 3.92Å; F155-I184 HydrophobicContact CD1-CG2 3.79Å; F155-I184 HydrophobicContact CE1-CD1 4.37Å; F155-I184 HydrophobicContact CE1-CG2 3.96Å
156Y96.6Very high90.7Very high25 Ų2528.8 Ų28.810%0.09815%0.153CC..Hα-helixtrans-71.6-37.8180-164.8-104.8000112.9L152 T153 R154 L158 F159 E181 I184 A185 A188 N239L152-Y156 PolarHBondContact O-N 3.23Å; T153-Y156 PolarHBondContact O-N 2.77Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; Y156-L158 PolarHBondContact O-N 3.1Å; Y156-L158 VanDerWaalsContact O-N 3.14Å; Y156-F159 HydrophobicContact CD2-CB 4.18Å; Y156-F159 HydrophobicContact CD2-CD2 4.36Å; Y156-F159 HydrophobicContact CD2-CG 4.31Å; Y156-F159 HydrophobicContact CE2-CB 4.43Å; Y156-F159 HydrophobicContact CE2-CG 4.33Å; Y156-F159 WeakPolarHBondContact O-CB 3.37Å; Y156-F159 PolarHBondContact O-N 3.06Å; Y156-E181 HydrophobicContact CE2-CG 3.9Å; Y156-E181 PolarHBondContact OH-OE1 3Å; Y156-I184 HydrophobicContact CD2-CB 4.38Å; Y156-I184 HydrophobicContact CD2-CG2 3.86Å; Y156-A185 HydrophobicContact CD2-CB 4.22Å; Y156-A185 HydrophobicContact CE1-CB 3.97Å; Y156-A185 HydrophobicContact CE2-CB 3.58Å; Y156-A185 VanDerWaalsContact CZ-CB 3.44Å; Y156-A188 HydrophobicContact CD1-CB 4.48Å; Y156-A188 HydrophobicContact CG-CB 4.17Å; Y156-N239 HydrophobicContact CD1-CB 3.69Å; Y156-N239 VanDerWaalsContact CD1-CG 3.5Å; Y156-N239 VanDerWaalsContact CD1-OD1 3.3Å; Y156-N239 WeakPolarHBondContact CD1-OD1 3.34Å; Y156-N239 HydrophobicContact CE1-CB 3.49Å; Y156-N239 VanDerWaalsContact CE1-CB 3.49Å
157C94.9Very high92.4Very high54 Ų5429 Ų2937%0.36516%0.162SC..Hα-helixtrans-57.5-27.1170.1-67.90000113Y134 T153Y134-C157 HydrophobicContact CD2-CB 3.81Å; Y134-C157 HydrophobicContact CE2-CB 3.92Å; T153-C157 PolarHBondContact O-N 3.26Å; T153-C157 PolarHBondContact O-SG 3.35Å
158L95.9Very high93.3Very high3 Ų332.1 Ų32.12%0.01618%0.184CC..THydrogen-bonded Turntrans-104.816.5177.8-60.8-179.1000112.9F123 A132 Y134 L137 R154 F155 Y156 E160 A161 V162F123-L158 HydrophobicContact CE1-CD1 3.93Å; F123-L158 HydrophobicContact CZ-CB 4.22Å; F123-L158 HydrophobicContact CZ-CD1 4.1Å; A132-L158 HydrophobicContact CB-CD2 3.61Å; Y134-L158 WeakPolarHBondContact O-CD2 3.35Å; L137-L158 HydrophobicContact CD2-CB 4.48Å; L137-L158 HydrophobicContact CD2-CD1 4.05Å; L137-L158 HydrophobicContact CG-CD1 4.48Å; R154-L158 HydrophobicContact CG-CD1 4.25Å; R154-L158 WeakPolarHBondContact O-CG 3.44Å; R154-L158 PolarHBondContact O-N 2.85Å; F155-L158 CarbonylContact O-C 3.38Å; F155-L158 PolarHBondContact O-N 3.37Å; Y156-L158 PolarHBondContact O-N 3.1Å; Y156-L158 VanDerWaalsContact O-N 3.14Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-E160 PolarHBondContact O-N 2.8Å; L158-A161 PolarHBondContact O-N 3.43Å; L158-V162 HydrophobicContact CB-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CG2 3.45Å; L158-V162 PolarHBondContact O-N 2.79Å
159F96.3Very high93.8Very high10 Ų1035.5 Ų35.54%0.04420%0.2CC..Hα-helixtrans-58.6-45.2-170.2-173.1-104.2000112.5F155 Y156 A161 V162 V163 L177 E181 I184F155-F159 HydrophobicContact CE1-CD2 4.02Å; F155-F159 HydrophobicContact CE1-CE2 4.38Å; F155-F159 PolarHBondContact O-N 2.97Å; F155-F159 VanDerWaalsContact O-N 3.07Å; Y156-F159 HydrophobicContact CD2-CB 4.18Å; Y156-F159 HydrophobicContact CD2-CD2 4.36Å; Y156-F159 HydrophobicContact CD2-CG 4.31Å; Y156-F159 HydrophobicContact CE2-CB 4.43Å; Y156-F159 HydrophobicContact CE2-CG 4.33Å; Y156-F159 WeakPolarHBondContact O-CB 3.37Å; Y156-F159 PolarHBondContact O-N 3.06Å; F159-A161 PolarHBondContact O-N 3.5Å; F159-V162 PolarHBondContact O-N 3.07Å; F159-V163 HydrophobicContact CD1-CG2 4.08Å; F159-V163 HydrophobicContact CE1-CG2 3.67Å; F159-V163 HydrophobicContact CE2-CG2 4.23Å; F159-V163 HydrophobicContact CZ-CG2 3.77Å; F159-V163 WeakPolarHBondContact O-CB 3.27Å; F159-V163 WeakPolarHBondContact O-CG2 3.42Å; F159-V163 PolarHBondContact O-N 3.3Å; F159-L177 HydrophobicContact CE2-CB 4.25Å; F159-L177 HydrophobicContact CZ-CB 4.38Å; F159-E181 HydrophobicContact CD1-CG 3.91Å; F159-E181 HydrophobicContact CE1-CB 3.83Å; F159-E181 HydrophobicContact CE1-CG 3.38Å; F159-E181 WeakPolarHBondContact CE1-OE2 3.22Å; F159-E181 HydrophobicContact CE2-CG 4.38Å; F159-E181 HydrophobicContact CZ-CB 3.69Å; F159-E181 HydrophobicContact CZ-CG 3.65Å; F159-I184 HydrophobicContact CD2-CD1 4.49Å; F159-I184 HydrophobicContact CE2-CD1 3.67Å; F159-I184 HydrophobicContact CZ-CD1 4.45Å
160E95.2Very high94.4Very high134 Ų13437.1 Ų37.163%0.62621%0.207SC*.Hα-helixtrans-60.6-46.3178.4-64.7-178.8179.900111.3L158 V162 V163 E164 K246L158-E160 VanDerWaalsContact C-N 3.35Å; L158-E160 PolarHBondContact O-N 2.8Å; E160-V162 VanDerWaalsContact C-N 3.34Å; E160-V162 PolarHBondContact O-N 2.73Å; E160-V163 PolarHBondContact O-N 3.36Å; E160-E164 WeakPolarHBondContact O-CB 3.25Å; E160-E164 PolarHBondContact O-N 2.81Å; E160-K246 IonicContact OE1-NZ 3.66Å; E160-K246 PolarHBondContact OE1-NZ 2.91Å; E160-K246 VanDerWaalsContact OE1-NZ 3.1Å
161A95.5Very high94.9Very high7 Ų742.5 Ų42.56%0.05822%0.22CC..Hα-helixtrans-64.5-35.4175.600000112.7F123 L126 L158 F159 F165F123-A161 HydrophobicContact CE2-CB 4.22Å; F123-A161 HydrophobicContact CZ-CB 4.4Å; L126-A161 HydrophobicContact CD2-CB 4.37Å; L126-A161 VanDerWaalsContact CD2-O 3.29Å; L126-A161 WeakPolarHBondContact CD2-O 3.44Å; L158-A161 PolarHBondContact O-N 3.43Å; F159-A161 PolarHBondContact O-N 3.5Å; A161-F165 VanDerWaalsContact O-CB 3.26Å; A161-F165 WeakPolarHBondContact O-CB 3.36Å; A161-F165 PolarHBondContact O-N 2.99Å
162V97Very high95.3Very high0 Ų045.3 Ų45.30%024%0.243CC..Hα-helixtrans-66.1-44.4175.1171.80000110.7F123 L137 F155 L158 F159 E160 F165 F166 L177F123-V162 HydrophobicContact CE2-CB 4.39Å; F123-V162 HydrophobicContact CE2-CG2 3.7Å; F123-V162 HydrophobicContact CZ-CG2 3.67Å; L137-V162 HydrophobicContact CD1-CG2 4.2Å; L137-V162 HydrophobicContact CD2-CG2 4.38Å; F155-V162 HydrophobicContact CD2-CG2 4.37Å; F155-V162 HydrophobicContact CE2-CG1 3.87Å; F155-V162 HydrophobicContact CE2-CG2 4.07Å; F155-V162 HydrophobicContact CZ-CB 4.45Å; F155-V162 HydrophobicContact CZ-CG1 3.72Å; F155-V162 HydrophobicContact CZ-CG2 4.43Å; L158-V162 HydrophobicContact CB-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CG2 3.45Å; L158-V162 PolarHBondContact O-N 2.79Å; F159-V162 PolarHBondContact O-N 3.07Å; E160-V162 VanDerWaalsContact C-N 3.34Å; E160-V162 PolarHBondContact O-N 2.73Å; V162-F165 PolarHBondContact O-N 3.2Å; V162-F166 HydrophobicContact CG1-CD2 3.79Å; V162-F166 HydrophobicContact CG1-CE2 3.91Å; V162-F166 VanDerWaalsContact O-CD2 3.3Å; V162-F166 WeakPolarHBondContact O-CD2 3.49Å; V162-F166 PolarHBondContact O-N 3.1Å; V162-L177 HydrophobicContact CG1-CD1 3.83Å
163V97.1Very high95.5Very high21 Ų2145.6 Ų45.613%0.12725%0.245CC..Hα-helixtrans-62.7-46.1177.61680000110.6F159 E160 F166 A167 C174 K178F159-V163 HydrophobicContact CD1-CG2 4.08Å; F159-V163 HydrophobicContact CE1-CG2 3.67Å; F159-V163 HydrophobicContact CE2-CG2 4.23Å; F159-V163 HydrophobicContact CZ-CG2 3.77Å; F159-V163 WeakPolarHBondContact O-CB 3.27Å; F159-V163 WeakPolarHBondContact O-CG2 3.42Å; F159-V163 PolarHBondContact O-N 3.3Å; E160-V163 PolarHBondContact O-N 3.36Å; V163-F166 PolarHBondContact O-N 2.61Å; V163-A167 PolarHBondContact O-N 3.36Å; V163-C174 PolarHBondContact O-SG 3.27Å; V163-K178 HydrophobicContact CG1-CD 4.07Å; V163-K178 HydrophobicContact CG1-CG 3.82Å; V163-K178 HydrophobicContact CG2-CG 4.08Å
164E96.4Very high95.8Very high109 Ų10944.1 Ų44.151%0.50924%0.236SC..Hα-helixtrans-61.4-45.2176.5-177.2177-179.700111.8L126 E160 F166 A167L126-E164 HydrophobicContact CD1-CG 4.33Å; L126-E164 HydrophobicContact CD2-CB 4.24Å; L126-E164 HydrophobicContact CD2-CG 4.24Å; E160-E164 WeakPolarHBondContact O-CB 3.25Å; E160-E164 PolarHBondContact O-N 2.81Å; E164-F166 VanDerWaalsContact C-N 3.35Å; E164-F166 PolarHBondContact O-N 2.68Å; E164-A167 WeakPolarHBondContact O-CB 3.33Å; E164-A167 PolarHBondContact O-N 3.11Å
165F96.3Very high96Very high8 Ų844.9 Ų44.94%0.03524%0.242CC..Hα-helixtrans-57-48.3176.5-176.6-93.4000111.5I113 N119 L122 F123 L126 A161 V162 A167 S168 H169I113-F165 HydrophobicContact CD1-CD1 4.07Å; I113-F165 HydrophobicContact CD1-CE1 4.46Å; I113-F165 HydrophobicContact CG1-CD1 3.83Å; I113-F165 HydrophobicContact CG1-CE1 3.72Å; I113-F165 HydrophobicContact CG1-CZ 4.48Å; N119-F165 HydrophobicContact CB-CE1 4.49Å; N119-F165 HydrophobicContact CB-CZ 3.82Å; L122-F165 HydrophobicContact CB-CE2 3.97Å; F123-F165 HydrophobicContact CB-CD2 4.07Å; F123-F165 HydrophobicContact CB-CE2 4.14Å; F123-F165 HydrophobicContact CD2-CB 3.9Å; F123-F165 HydrophobicContact CD2-CD2 4.03Å; F123-F165 AromaticContact CD2-CG 3.91Å; F123-F165 HydrophobicContact CD2-CG 3.91Å; F123-F165 HydrophobicContact CE2-CB 4.34Å; L126-F165 HydrophobicContact CD2-CB 3.94Å; A161-F165 VanDerWaalsContact O-CB 3.26Å; A161-F165 WeakPolarHBondContact O-CB 3.36Å; A161-F165 PolarHBondContact O-N 2.99Å; V162-F165 PolarHBondContact O-N 3.2Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.31Å; F165-S168 PolarHBondContact O-OG 2.95Å; F165-H169 HydrophobicContact CE1-CB 4.33Å; F165-H169 AromaticContact CE2-CE1 3.85Å; F165-H169 AromaticContact CE2-NE2 3.99Å; F165-H169 AromaticContact CZ-CD2 3.92Å; F165-H169 AromaticContact CZ-NE2 3.88Å; F165-H169 PolarHBondContact O-ND1 3.28Å
166F97.5Very high96.1Very high3 Ų347.1 Ų47.11%0.01325%0.254CS..Hα-helixtrans-76.8-16.2-177.9-76.1-62.3000114.4A109 K112 I113 V162 V163 E164 S168 H169 D170 Y171 L173 C174 L177A109-F166 HydrophobicContact CB-CE2 3.72Å; A109-F166 HydrophobicContact CB-CZ 4.24Å; A109-F166 WeakPolarHBondContact O-CZ 3.39Å; K112-F166 HydrophobicContact CB-CE1 4Å; K112-F166 HydrophobicContact CB-CZ 3.91Å; K112-F166 HydrophobicContact CD-CE1 4.24Å; I113-F166 HydrophobicContact CD1-CE2 3.64Å; I113-F166 HydrophobicContact CD1-CZ 3.91Å; I113-F166 HydrophobicContact CG1-CE2 4Å; I113-F166 HydrophobicContact CG1-CZ 3.72Å; V162-F166 HydrophobicContact CG1-CD2 3.79Å; V162-F166 HydrophobicContact CG1-CE2 3.91Å; V162-F166 VanDerWaalsContact O-CD2 3.3Å; V162-F166 WeakPolarHBondContact O-CD2 3.49Å; V162-F166 PolarHBondContact O-N 3.1Å; V163-F166 PolarHBondContact O-N 2.61Å; E164-F166 VanDerWaalsContact C-N 3.35Å; E164-F166 PolarHBondContact O-N 2.68Å; F166-S168 PolarHBondContact O-N 3.48Å; F166-S168 VanDerWaalsContact O-N 3.15Å; F166-H169 HydrophobicContact CD1-CB 4.39Å; F166-H169 PolarHBondContact O-N 3.09Å; F166-D170 HydrophobicContact CD1-CB 3.83Å; F166-D170 HydrophobicContact CE1-CB 4.46Å; F166-D170 CarbonylContact O-C 3.55Å; F166-D170 PolarHBondContact O-N 2.84Å; F166-D170 VanDerWaalsContact O-O 3.09Å; F166-Y171 PolarHBondContact O-N 3.33Å; F166-L173 HydrophobicContact CD1-CD2 4.08Å; F166-L173 HydrophobicContact CD2-CD2 4.37Å; F166-L173 HydrophobicContact CE1-CD2 3.82Å; F166-L173 HydrophobicContact CE2-CD2 4.14Å; F166-L173 HydrophobicContact CG-CD2 4.34Å; F166-L173 HydrophobicContact CZ-CD2 3.85Å; F166-C174 HydrophobicContact CB-CB 3.82Å; F166-L177 HydrophobicContact CD2-CD1 4.03Å
167A96.4Very high96.2Very high52 Ų5246 Ų4643%0.4325%0.249SC..Hα-helixtrans-56.3-33.3176.900000112.4V163 E164 F165V163-A167 PolarHBondContact O-N 3.36Å; E164-A167 WeakPolarHBondContact O-CB 3.33Å; E164-A167 PolarHBondContact O-N 3.11Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.31Å
168S91.3Very high96.3Very high95 Ų9547.6 Ų47.666%0.66425%0.25SS*.Hα-helixtrans-103.6-11.517955.20000115F165 F166F165-S168 PolarHBondContact O-OG 2.95Å; F166-S168 PolarHBondContact O-N 3.48Å; F166-S168 VanDerWaalsContact O-N 3.15Å
169H92.4Very high96.3Very high95 Ų9555 Ų5544%0.4428%0.278SS..Hα-helixtrans-111.5-31.2-174.8-65.376.5000113.8F165 F166F165-H169 HydrophobicContact CE1-CB 4.33Å; F165-H169 AromaticContact CE2-CE1 3.85Å; F165-H169 AromaticContact CE2-NE2 3.99Å; F165-H169 AromaticContact CZ-CD2 3.92Å; F165-H169 AromaticContact CZ-NE2 3.88Å; F165-H169 PolarHBondContact O-ND1 3.28Å; F166-H169 HydrophobicContact CD1-CB 4.39Å; F166-H169 PolarHBondContact O-N 3.09Å
170D95.7Very high96.3Very high38 Ų3857.7 Ų57.720%0.20329%0.288CS..  trans-160.685.9177.8-173.6-17.4000109.8K112 F166 A172 L173 C174K112-D170 IonicContact NZ-OD2 3.81Å; K112-D170 PolarHBondContact NZ-OD2 3.37Å; F166-D170 HydrophobicContact CD1-CB 3.83Å; F166-D170 HydrophobicContact CE1-CB 4.46Å; F166-D170 CarbonylContact O-C 3.55Å; F166-D170 PolarHBondContact O-N 2.84Å; F166-D170 VanDerWaalsContact O-O 3.09Å; D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 3.15Å; D170-A172 PolarHBondContact OD1-N 3.06Å; D170-L173 HydrophobicContact CB-CB 3.97Å; D170-L173 PolarHBondContact O-N 2.84Å; D170-L173 PolarHBondContact OD1-N 2.9Å; D170-L173 WeakPolarHBondContact OD2-CB 3.43Å; D170-C174 PolarHBondContact O-N 3.31Å
171Y96Very high96.4Very high153 Ų15353.4 Ų53.460%0.627%0.268SS*.Hα-helixtrans-58.6-38.8-176.9-177-97.3000112.7F166 L173 C174 E175F166-Y171 PolarHBondContact O-N 3.33Å; Y171-L173 PolarHBondContact O-N 3.17Å; Y171-C174 WeakPolarHBondContact O-CB 3.5Å; Y171-C174 PolarHBondContact O-N 2.65Å; Y171-E175 HydrophobicContact CD1-CG 4.14Å; Y171-E175 HydrophobicContact CE1-CG 3.6Å; Y171-E175 HydrophobicContact CE2-CG 4.09Å; Y171-E175 PolarHBondContact O-N 2.94Å
172A97.5Very high96.5Very high59 Ų5953.7 Ų53.749%0.48827%0.269SS..Hα-helixtrans-64.9-42.2179.300000111.3D170 N176D170-A172 VanDerWaalsContact C-N 3.27Å; D170-A172 PolarHBondContact O-N 3.15Å; D170-A172 PolarHBondContact OD1-N 3.06Å; A172-N176 WeakPolarHBondContact O-CB 3.44Å; A172-N176 PolarHBondContact O-N 3.43Å; A172-N176 VanDerWaalsContact O-N 3.1Å; A172-N176 PolarHBondContact O-ND2 2.73Å
173L97.2Very high96.5Very high6 Ų653.7 Ų53.73%0.03127%0.269CS..Hα-helixtrans-66.7-41.3174.5-177.157.1000111.8L105 A109 K112 F166 D170 Y171 E175 N176 L177L105-L173 HydrophobicContact CD2-CD1 3.98Å; A109-L173 HydrophobicContact CB-CD2 4.18Å; K112-L173 HydrophobicContact CD-CD2 3.91Å; F166-L173 HydrophobicContact CD1-CD2 4.08Å; F166-L173 HydrophobicContact CD2-CD2 4.37Å; F166-L173 HydrophobicContact CE1-CD2 3.82Å; F166-L173 HydrophobicContact CE2-CD2 4.14Å; F166-L173 HydrophobicContact CG-CD2 4.34Å; F166-L173 HydrophobicContact CZ-CD2 3.85Å; D170-L173 HydrophobicContact CB-CB 3.97Å; D170-L173 PolarHBondContact O-N 2.84Å; D170-L173 PolarHBondContact OD1-N 2.9Å; D170-L173 WeakPolarHBondContact OD2-CB 3.43Å; Y171-L173 PolarHBondContact O-N 3.17Å; L173-E175 PolarHBondContact O-N 3.33Å; L173-N176 PolarHBondContact O-N 2.94Å; L173-L177 HydrophobicContact CD1-CD1 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.3Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 HydrophobicContact CG-CG 4.48Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.24Å
174C97.9Very high96.5Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-53.6-53.9175.2-176.50000111.6V163 F166 D170 Y171 N176 L177 K178V163-C174 PolarHBondContact O-SG 3.27Å; F166-C174 HydrophobicContact CB-CB 3.82Å; D170-C174 PolarHBondContact O-N 3.31Å; Y171-C174 WeakPolarHBondContact O-CB 3.5Å; Y171-C174 PolarHBondContact O-N 2.65Å; C174-N176 VanDerWaalsContact C-N 3.32Å; C174-N176 PolarHBondContact O-N 3.06Å; C174-L177 PolarHBondContact O-N 3.2Å; C174-K178 PolarHBondContact O-N 3.05Å
175E98Very high96.6Very high71 Ų7147.5 Ų47.533%0.33224%0.239SC..Hα-helixtrans-65.2-36.3-179.5-71.7-60.1110.500112.3Y171 L173 K178 R179Y171-E175 HydrophobicContact CD1-CG 4.14Å; Y171-E175 HydrophobicContact CE1-CG 3.6Å; Y171-E175 HydrophobicContact CE2-CG 4.09Å; Y171-E175 PolarHBondContact O-N 2.94Å; L173-E175 PolarHBondContact O-N 3.33Å; E175-K178 IonicContact OE1-NZ 2.91Å; E175-K178 PolarHBondContact OE1-NZ 3.09Å; E175-R179 VanDerWaalsContact O-CB 3.28Å; E175-R179 WeakPolarHBondContact O-CB 3.33Å; E175-R179 PolarHBondContact O-N 3.46Å
176N97.7Very high96.7Very high47 Ų4747.1 Ų47.125%0.25124%0.237SC..Hα-helixtrans-64.6-38.7174.6-83.3-58.5000112.8L105 A172 L173 C174 R179 R180L105-N176 HydrophobicContact CD1-CB 4.12Å; L105-N176 HydrophobicContact CD2-CB 3.96Å; A172-N176 WeakPolarHBondContact O-CB 3.44Å; A172-N176 PolarHBondContact O-N 3.43Å; A172-N176 VanDerWaalsContact O-N 3.1Å; A172-N176 PolarHBondContact O-ND2 2.73Å; L173-N176 PolarHBondContact O-N 2.94Å; C174-N176 VanDerWaalsContact C-N 3.32Å; C174-N176 PolarHBondContact O-N 3.06Å; N176-R179 PolarHBondContact OD1-NH2 2.91Å; N176-R180 WeakPolarHBondContact O-CG 3.3Å; N176-R180 PolarHBondContact O-N 2.88Å
177L97.8Very high96.7Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-65.2-50.3176.1-72.8169.9000110.9L105 A109 F155 F159 V162 F166 L173 C174 R179 R180 E181 I184L105-L177 HydrophobicContact CB-CD2 4.47Å; A109-L177 HydrophobicContact CB-CD1 3.99Å; A109-L177 HydrophobicContact CB-CD2 4.31Å; F155-L177 HydrophobicContact CE1-CD2 4.3Å; F155-L177 HydrophobicContact CZ-CD1 4.43Å; F155-L177 HydrophobicContact CZ-CD2 3.92Å; F159-L177 HydrophobicContact CE2-CB 4.25Å; F159-L177 HydrophobicContact CZ-CB 4.38Å; V162-L177 HydrophobicContact CG1-CD1 3.83Å; F166-L177 HydrophobicContact CD2-CD1 4.03Å; L173-L177 HydrophobicContact CD1-CD1 4.5Å; L173-L177 HydrophobicContact CD1-CG 4.3Å; L173-L177 HydrophobicContact CG-CD1 4.21Å; L173-L177 HydrophobicContact CG-CG 4.48Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.24Å; C174-L177 PolarHBondContact O-N 3.2Å; L177-R179 VanDerWaalsContact C-N 3.3Å; L177-R179 PolarHBondContact O-N 3.38Å; L177-R180 CarbonylContact O-C 3.06Å; L177-R180 PolarHBondContact O-N 3.39Å; L177-E181 PolarHBondContact O-N 2.95Å; L177-I184 HydrophobicContact CD2-CD1 3.89Å
178K96.9Very high96.6Very high89 Ų8944.5 Ų44.539%0.38722%0.216SC..Hα-helixtrans-55.2-46.4176.2-67.7179.1-169.3163.40111.6V163 C174 E175 R180 E181V163-K178 HydrophobicContact CG1-CD 4.07Å; V163-K178 HydrophobicContact CG1-CG 3.82Å; V163-K178 HydrophobicContact CG2-CG 4.08Å; C174-K178 PolarHBondContact O-N 3.05Å; E175-K178 IonicContact OE1-NZ 2.91Å; E175-K178 PolarHBondContact OE1-NZ 3.09Å; K178-R180 PolarHBondContact O-N 3.37Å; K178-E181 WeakPolarHBondContact O-CB 3.5Å; K178-E181 PolarHBondContact O-N 2.61Å
179R95.9Very high96.9Very high157 Ų15740.2 Ų40.259%0.59219%0.186SC*.Hα-helixtrans-62.1-24.8178.9-175.2174.965.3170.11.7113.5E175 N176 L177E175-R179 VanDerWaalsContact O-CB 3.28Å; E175-R179 WeakPolarHBondContact O-CB 3.33Å; E175-R179 PolarHBondContact O-N 3.46Å; N176-R179 PolarHBondContact OD1-NH2 2.91Å; L177-R179 VanDerWaalsContact C-N 3.3Å; L177-R179 PolarHBondContact O-N 3.38Å
180R96.5Very high97.1Very high67 Ų6735.7 Ų35.725%0.25317%0.165SC..THydrogen-bonded Turntrans-110.116.3-178.5-63.4-58.3-170.8-158.8-1.3113S102 L105 N176 L177 K178 S182 D183 I184S102-R180 WeakPolarHBondContact OG-CD 3.42Å; L105-R180 HydrophobicContact CD1-CG 3.97Å; N176-R180 WeakPolarHBondContact O-CG 3.3Å; N176-R180 PolarHBondContact O-N 2.88Å; L177-R180 CarbonylContact O-C 3.06Å; L177-R180 PolarHBondContact O-N 3.39Å; K178-R180 PolarHBondContact O-N 3.37Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 2.9Å; R180-D183 WeakPolarHBondContact O-CB 3.39Å; R180-D183 PolarHBondContact O-N 3.15Å; R180-I184 HydrophobicContact CB-CD1 4.49Å; R180-I184 VanDerWaalsContact O-CG1 3.3Å; R180-I184 WeakPolarHBondContact O-CG1 3.3Å; R180-I184 PolarHBondContact O-N 2.94Å; R180-I184 VanDerWaalsContact O-N 3.11Å
181E97.3Very high97Very high45 Ų4534.3 Ų34.321%0.2116%0.157CC..Hα-helixtrans-55.4-41.1-176.8-174.3175.8176.900112.6Y156 F159 L177 K178 D183 I184 A185 L243Y156-E181 HydrophobicContact CE2-CG 3.9Å; Y156-E181 PolarHBondContact OH-OE1 3Å; F159-E181 HydrophobicContact CD1-CG 3.91Å; F159-E181 HydrophobicContact CE1-CB 3.83Å; F159-E181 HydrophobicContact CE1-CG 3.38Å; F159-E181 WeakPolarHBondContact CE1-OE2 3.22Å; F159-E181 HydrophobicContact CE2-CG 4.38Å; F159-E181 HydrophobicContact CZ-CB 3.69Å; F159-E181 HydrophobicContact CZ-CG 3.65Å; L177-E181 PolarHBondContact O-N 2.95Å; K178-E181 WeakPolarHBondContact O-CB 3.5Å; K178-E181 PolarHBondContact O-N 2.61Å; E181-D183 PolarHBondContact O-N 3.46Å; E181-I184 PolarHBondContact O-N 2.85Å; E181-I184 VanDerWaalsContact O-N 3.12Å; E181-A185 WeakPolarHBondContact O-CB 3.26Å; E181-A185 PolarHBondContact O-N 3.09Å; E181-L243 HydrophobicContact CG-CD1 4.14Å; E181-L243 HydrophobicContact CG-CD2 4.07Å; E181-L243 WeakPolarHBondContact OE1-CD1 3.4Å
182S97.4Very high96.8Very high13 Ų1331.3 Ų31.39%0.09115%0.147CC..Hα-helixtrans-59.3-43.7176.353.60000112.5R180 I184 A185 Y186 L240 D253 Y257R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 2.9Å; S182-I184 VanDerWaalsContact C-N 3.26Å; S182-I184 PolarHBondContact O-N 3.34Å; S182-A185 PolarHBondContact O-N 2.91Å; S182-Y186 WeakPolarHBondContact O-CB 3.22Å; S182-Y186 PolarHBondContact O-N 3.36Å; S182-L240 WeakPolarHBondContact O-CD2 3.32Å; S182-D253 WeakPolarHBondContact CB-OD2 3.35Å; S182-D253 PolarHBondContact OG-OD2 3.08Å; S182-Y257 VanDerWaalsContact CB-OH 3.23Å; S182-Y257 WeakPolarHBondContact CB-OH 3.46Å; S182-Y257 PolarHBondContact O-OH 3.48Å; S182-Y257 PolarHBondContact OG-OH 3.36Å
183D97.9Very high96.7Very high0 Ų029.8 Ų29.80%013%0.13CC..Hα-helixtrans-63.8-36.6177.2-67-6.4000110.9R98 L99 S102 R180 E181 F187 Y257R98-D183 IonicContact CZ-OD1 3.11Å; R98-D183 IonicContact CZ-OD2 2.95Å; R98-D183 IonicContact NE-OD1 2.67Å; R98-D183 PolarHBondContact NE-OD1 3.22Å; R98-D183 IonicContact NE-OD2 3.12Å; R98-D183 PolarHBondContact NE-OD2 3.05Å; R98-D183 IonicContact NH2-OD1 2.85Å; R98-D183 PolarHBondContact NH2-OD1 3.33Å; R98-D183 IonicContact NH2-OD2 2.61Å; L99-D183 HydrophobicContact CD2-CB 4.3Å; S102-D183 WeakPolarHBondContact CB-OD2 3.43Å; S102-D183 PolarHBondContact OG-OD2 2.86Å; R180-D183 WeakPolarHBondContact O-CB 3.39Å; R180-D183 PolarHBondContact O-N 3.15Å; E181-D183 PolarHBondContact O-N 3.46Å; D183-F187 WeakPolarHBondContact O-CB 3.44Å; D183-F187 WeakPolarHBondContact O-CD2 3.16Å; D183-F187 VanDerWaalsContact O-CG 3.31Å; D183-F187 WeakPolarHBondContact O-CG 3.45Å; D183-F187 PolarHBondContact O-N 2.97Å; D183-Y257 WeakPolarHBondContact CA-OH 3.3Å; D183-Y257 PolarHBondContact N-OH 3.25Å; D183-Y257 VanDerWaalsContact OD1-CE1 3.29Å; D183-Y257 WeakPolarHBondContact OD1-CE1 3.39Å; D183-Y257 PolarHBondContact OD1-OH 3.49Å
184I97.6Very high96.4Very high0 Ų029.8 Ų29.80%013%0.129CC..Hα-helixtrans-73.1-42.3-178.5-58.5167.2000110.7V106 F155 Y156 F159 L177 R180 E181 S182 F187 A188V106-I184 HydrophobicContact CG2-CB 4.4Å; V106-I184 HydrophobicContact CG2-CD1 3.85Å; V106-I184 HydrophobicContact CG2-CG1 3.6Å; V106-I184 HydrophobicContact CG2-CG2 3.98Å; F155-I184 HydrophobicContact CD1-CG2 3.79Å; F155-I184 HydrophobicContact CE1-CD1 4.37Å; F155-I184 HydrophobicContact CE1-CG2 3.96Å; Y156-I184 HydrophobicContact CD2-CB 4.38Å; Y156-I184 HydrophobicContact CD2-CG2 3.86Å; F159-I184 HydrophobicContact CD2-CD1 4.49Å; F159-I184 HydrophobicContact CE2-CD1 3.67Å; F159-I184 HydrophobicContact CZ-CD1 4.45Å; L177-I184 HydrophobicContact CD2-CD1 3.89Å; R180-I184 HydrophobicContact CB-CD1 4.49Å; R180-I184 VanDerWaalsContact O-CG1 3.3Å; R180-I184 WeakPolarHBondContact O-CG1 3.3Å; R180-I184 PolarHBondContact O-N 2.94Å; R180-I184 VanDerWaalsContact O-N 3.11Å; E181-I184 PolarHBondContact O-N 2.85Å; E181-I184 VanDerWaalsContact O-N 3.12Å; S182-I184 VanDerWaalsContact C-N 3.26Å; S182-I184 PolarHBondContact O-N 3.34Å; I184-F187 PolarHBondContact O-N 3.16Å; I184-A188 PolarHBondContact O-N 3.48Å
185A97.4Very high96Very high0 Ų031.8 Ų31.80%014%0.14CC..Hα-helixtrans-59.7-46.8172.900000111Y156 E181 S182 F187 A188 D189 N239 L240 L243Y156-A185 HydrophobicContact CD2-CB 4.22Å; Y156-A185 HydrophobicContact CE1-CB 3.97Å; Y156-A185 HydrophobicContact CE2-CB 3.58Å; Y156-A185 VanDerWaalsContact CZ-CB 3.44Å; E181-A185 WeakPolarHBondContact O-CB 3.26Å; E181-A185 PolarHBondContact O-N 3.09Å; S182-A185 PolarHBondContact O-N 2.91Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.45Å; A185-A188 PolarHBondContact O-N 3.21Å; A185-D189 PolarHBondContact O-N 3.42Å; A185-N239 HydrophobicContact CB-CB 4.15Å; A185-L240 HydrophobicContact CB-CD2 3.8Å; A185-L240 HydrophobicContact CB-CG 4.21Å; A185-L243 HydrophobicContact CB-CD2 4.17Å
186Y98Very high95.6Very high0 Ų033 Ų330%015%0.146CC..Hα-helixtrans-57.1-44.7174.6172.9-108.1000111.9L99 S182 D189 L190 L229 F237 L240 Y257 H260L99-Y186 HydrophobicContact CD1-CE1 4.33Å; L99-Y186 HydrophobicContact CD2-CD1 4.42Å; S182-Y186 WeakPolarHBondContact O-CB 3.22Å; S182-Y186 PolarHBondContact O-N 3.36Å; Y186-D189 PolarHBondContact O-N 3.39Å; Y186-L190 HydrophobicContact CE1-CD2 3.99Å; Y186-L190 WeakPolarHBondContact O-CB 3.44Å; Y186-L190 PolarHBondContact O-N 3.41Å; Y186-L229 HydrophobicContact CE2-CD1 4.42Å; Y186-F237 HydrophobicContact CD2-CD1 4.25Å; Y186-F237 HydrophobicContact CD2-CE1 4.03Å; Y186-F237 AromaticContact CE2-CE1 3.84Å; Y186-F237 HydrophobicContact CE2-CE1 3.84Å; Y186-F237 HydrophobicContact CE2-CZ 4.41Å; Y186-L240 HydrophobicContact CD2-CD1 3.91Å; Y186-L240 HydrophobicContact CG-CD1 4.42Å; Y186-Y257 AromaticContact CD1-CD1 3.69Å; Y186-Y257 HydrophobicContact CD1-CD1 3.69Å; Y186-Y257 HydrophobicContact CD1-CE1 4.04Å; Y186-Y257 HydrophobicContact CD1-CG 4.2Å; Y186-Y257 HydrophobicContact CD2-CD1 4.09Å; Y186-Y257 AromaticContact CD2-CD2 3.96Å; Y186-Y257 HydrophobicContact CD2-CD2 3.96Å; Y186-Y257 AromaticContact CD2-CG 3.73Å; Y186-Y257 HydrophobicContact CD2-CG 3.73Å; Y186-Y257 HydrophobicContact CE1-CD1 4.01Å; Y186-Y257 HydrophobicContact CE1-CG 4.43Å; Y186-Y257 HydrophobicContact CE2-CD1 4.38Å; Y186-Y257 AromaticContact CE2-CG 3.98Å; Y186-Y257 HydrophobicContact CE2-CG 3.98Å; Y186-Y257 AromaticContact CG-CD1 3.72Å; Y186-Y257 HydrophobicContact CG-CD1 3.72Å; Y186-Y257 HydrophobicContact CG-CD2 4.1Å; Y186-Y257 HydrophobicContact CG-CE1 4.02Å; Y186-Y257 HydrophobicContact CG-CE2 4.33Å; Y186-Y257 AromaticContact CG-CG 3.82Å; Y186-Y257 HydrophobicContact CG-CG 3.82Å; Y186-H260 AromaticContact CE1-ND1 3.31Å; Y186-H260 VanDerWaalsContact CE1-ND1 3.31Å; Y186-H260 WeakPolarHBondContact CE1-ND1 3.47Å; Y186-H260 AromaticContact CZ-ND1 3.47Å; Y186-H260 PolarHBondContact OH-ND1 3.02Å
187F97Very high95.3Very high0 Ų031 Ų310%014%0.135CC..Hα-helixtrans-63.7-43176.5-77.9-43000113L95 L99 L103 L152 D183 I184 A185 D189 L190 Y191L95-F187 HydrophobicContact CD1-CE1 4.46Å; L95-F187 HydrophobicContact CD1-CZ 4.31Å; L95-F187 HydrophobicContact CD2-CE1 3.74Å; L95-F187 HydrophobicContact CD2-CZ 4.17Å; L99-F187 HydrophobicContact CB-CE1 4.38Å; L99-F187 HydrophobicContact CB-CZ 3.76Å; L99-F187 HydrophobicContact CD2-CE1 4.44Å; L99-F187 HydrophobicContact CD2-CE2 4.44Å; L99-F187 HydrophobicContact CD2-CZ 3.99Å; L99-F187 HydrophobicContact CG-CZ 4.38Å; L99-F187 WeakPolarHBondContact O-CE2 3.46Å; L99-F187 WeakPolarHBondContact O-CZ 3.11Å; L103-F187 HydrophobicContact CB-CE2 3.82Å; L103-F187 HydrophobicContact CB-CZ 3.99Å; L152-F187 HydrophobicContact CD1-CB 4.14Å; L152-F187 HydrophobicContact CD2-CB 4.28Å; D183-F187 WeakPolarHBondContact O-CB 3.44Å; D183-F187 WeakPolarHBondContact O-CD2 3.16Å; D183-F187 VanDerWaalsContact O-CG 3.31Å; D183-F187 WeakPolarHBondContact O-CG 3.45Å; D183-F187 PolarHBondContact O-N 2.97Å; I184-F187 PolarHBondContact O-N 3.16Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.45Å; F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 2.75Å; F187-L190 PolarHBondContact O-N 3.28Å; F187-Y191 HydrophobicContact CB-CD2 4.43Å; F187-Y191 HydrophobicContact CD1-CD2 4.06Å; F187-Y191 AromaticContact CD1-CE2 3.73Å; F187-Y191 HydrophobicContact CD1-CE2 3.73Å; F187-Y191 HydrophobicContact CE1-CE2 4.22Å; F187-Y191 VanDerWaalsContact O-CB 3.29Å; F187-Y191 WeakPolarHBondContact O-CB 3.42Å; F187-Y191 WeakPolarHBondContact O-CD2 3.16Å; F187-Y191 PolarHBondContact O-N 3.48Å
188A96.1Very high94.8Very high0 Ų031.1 Ų31.10%014%0.136CC..Hα-helixtrans-58.1-45.1176.900000111.1Y156 I184 A185 F192Y156-A188 HydrophobicContact CD1-CB 4.48Å; Y156-A188 HydrophobicContact CG-CB 4.17Å; I184-A188 PolarHBondContact O-N 3.48Å; A185-A188 PolarHBondContact O-N 3.21Å; A188-F192 VanDerWaalsContact O-CB 3.22Å; A188-F192 WeakPolarHBondContact O-CB 3.31Å; A188-F192 PolarHBondContact O-N 3.12Å; A188-F192 VanDerWaalsContact O-N 3.12Å
189D97.1Very high94.2Very high4 Ų431.8 Ų31.82%0.02114%0.143CC..Hα-helixtrans-67.8-49.1177.9-73.8-29.3000112.7A185 Y186 F187 F192 K193 F237 P238 N239 L240A185-D189 PolarHBondContact O-N 3.42Å; Y186-D189 PolarHBondContact O-N 3.39Å; F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 2.75Å; D189-F192 WeakPolarHBondContact O-CB 3.43Å; D189-F192 PolarHBondContact O-N 3.38Å; D189-K193 WeakPolarHBondContact O-CG 3.39Å; D189-K193 PolarHBondContact O-N 3.29Å; D189-F237 HydrophobicContact CB-CB 4.25Å; D189-F237 HydrophobicContact CB-CD1 3.57Å; D189-F237 HydrophobicContact CB-CE1 4.41Å; D189-F237 HydrophobicContact CB-CG 4.35Å; D189-F237 WeakPolarHBondContact OD2-CA 3.37Å; D189-F237 VanDerWaalsContact OD2-CB 3.29Å; D189-F237 WeakPolarHBondContact OD2-CB 3.28Å; D189-P238 WeakPolarHBondContact OD1-CD 3.35Å; D189-P238 WeakPolarHBondContact OD1-CG 3.05Å; D189-N239 WeakPolarHBondContact OD1-CB 3.46Å; D189-N239 PolarHBondContact OD1-N 3.03Å; D189-N239 VanDerWaalsContact OD1-N 3.12Å; D189-N239 PolarHBondContact OD1-ND2 2.95Å; D189-N239 WeakPolarHBondContact OD2-CB 3.36Å; D189-N239 PolarHBondContact OD2-N 3.17Å; D189-N239 VanDerWaalsContact OD2-N 3.11Å; D189-L240 PolarHBondContact OD2-N 3Å; D189-L240 VanDerWaalsContact OD2-N 3.1Å
190L96.3Very high93.9Very high0 Ų029.5 Ų29.50%014%0.142CC..Hα-helixtrans-66.7-46.1-176.7177.465.4000111.8Y186 F187 F192 K193 F194 H260 L261 L264Y186-L190 HydrophobicContact CE1-CD2 3.99Å; Y186-L190 WeakPolarHBondContact O-CB 3.44Å; Y186-L190 PolarHBondContact O-N 3.41Å; F187-L190 PolarHBondContact O-N 3.28Å; L190-F192 VanDerWaalsContact C-N 3.28Å; L190-F192 PolarHBondContact O-N 3.01Å; L190-K193 WeakPolarHBondContact O-CB 3.42Å; L190-K193 PolarHBondContact O-N 3.41Å; L190-K193 VanDerWaalsContact O-N 3.07Å; L190-F194 HydrophobicContact CD1-CE2 4.15Å; L190-F194 HydrophobicContact CD2-CE2 4.08Å; L190-F194 HydrophobicContact CG-CD2 4.14Å; L190-F194 HydrophobicContact CG-CE2 3.85Å; L190-F194 PolarHBondContact O-N 3.17Å; L190-H260 VanDerWaalsContact CD2-CE1 3.41Å; L190-H260 WeakPolarHBondContact CD2-CE1 3.31Å; L190-L261 HydrophobicContact CD1-CD2 4.23Å; L190-L264 HydrophobicContact CD1-CD1 4.34Å; L190-L264 HydrophobicContact CD2-CD1 3.81Å
191Y93.5Very high93.6Very high9 Ų926.3 Ų26.34%0.03513%0.13CC..Hα-helixtrans-73.2-22.8-179-81.7-103.2000112.8A92 K148 L152 F187 K193 F194 N195A92-Y191 HydrophobicContact CB-CE1 4.26Å; A92-Y191 PolarHBondContact O-OH 3.12Å; K148-Y191 HydrophobicContact CB-CD1 4.29Å; K148-Y191 HydrophobicContact CB-CE1 4.39Å; K148-Y191 HydrophobicContact CD-CD1 4.23Å; K148-Y191 HydrophobicContact CD-CE1 3.57Å; K148-Y191 HydrophobicContact CG-CD1 4.04Å; K148-Y191 HydrophobicContact CG-CE1 3.9Å; K148-Y191 PolarHBondContact NZ-OH 3.06Å; L152-Y191 HydrophobicContact CD1-CD1 3.91Å; L152-Y191 HydrophobicContact CD1-CD2 3.59Å; L152-Y191 HydrophobicContact CD1-CE1 4.35Å; L152-Y191 HydrophobicContact CD1-CE2 4.08Å; L152-Y191 HydrophobicContact CD1-CG 3.49Å; L152-Y191 VanDerWaalsContact CD1-CG 3.49Å; F187-Y191 HydrophobicContact CB-CD2 4.43Å; F187-Y191 HydrophobicContact CD1-CD2 4.06Å; F187-Y191 AromaticContact CD1-CE2 3.73Å; F187-Y191 HydrophobicContact CD1-CE2 3.73Å; F187-Y191 HydrophobicContact CE1-CE2 4.22Å; F187-Y191 VanDerWaalsContact O-CB 3.29Å; F187-Y191 WeakPolarHBondContact O-CB 3.42Å; F187-Y191 WeakPolarHBondContact O-CD2 3.16Å; F187-Y191 PolarHBondContact O-N 3.48Å; Y191-K193 VanDerWaalsContact C-N 3.31Å; Y191-F194 HydrophobicContact CD1-CD2 4.43Å; Y191-F194 HydrophobicContact CG-CD2 4.39Å; Y191-F194 PolarHBondContact O-N 2.97Å; Y191-N195 WeakPolarHBondContact O-CB 3.38Å; Y191-N195 PolarHBondContact O-N 3.45Å
192F92.6Very high92.7Very high91 Ų9126.1 Ų26.140%0.39913%0.129SC..Hα-helixtrans-60.3-43.7165.5-177.6-95.1000110.8A188 D189 L190 N195 E196A188-F192 VanDerWaalsContact O-CB 3.22Å; A188-F192 WeakPolarHBondContact O-CB 3.31Å; A188-F192 PolarHBondContact O-N 3.12Å; A188-F192 VanDerWaalsContact O-N 3.12Å; D189-F192 WeakPolarHBondContact O-CB 3.43Å; D189-F192 PolarHBondContact O-N 3.38Å; L190-F192 VanDerWaalsContact C-N 3.28Å; L190-F192 PolarHBondContact O-N 3.01Å; F192-N195 CarbonylContact O-C 3.46Å; F192-N195 WeakPolarHBondContact O-CA 3.48Å; F192-N195 WeakPolarHBondContact O-CB 3.5Å; F192-N195 PolarHBondContact O-N 2.85Å; F192-N195 VanDerWaalsContact O-N 3.1Å; F192-E196 HydrophobicContact CD1-CG 4.02Å; F192-E196 HydrophobicContact CE1-CG 3.68Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.39Å; F192-E196 HydrophobicContact CZ-CG 4.18Å; F192-E196 WeakPolarHBondContact O-CG 3.47Å; F192-E196 PolarHBondContact O-N 3.25Å
193K94Very high91.7Very high27 Ų2727.1 Ų27.112%0.11714%0.141CC..Hα-helixtrans-67.6-37.4178.1-59.2-178.5-168.3-43.80113.3D189 L190 Y191 N195 E196 M197 F218 F225 Q236D189-K193 WeakPolarHBondContact O-CG 3.39Å; D189-K193 PolarHBondContact O-N 3.29Å; L190-K193 WeakPolarHBondContact O-CB 3.42Å; L190-K193 PolarHBondContact O-N 3.41Å; L190-K193 VanDerWaalsContact O-N 3.07Å; Y191-K193 VanDerWaalsContact C-N 3.31Å; K193-N195 VanDerWaalsContact C-N 3.3Å; K193-E196 PolarHBondContact O-N 2.87Å; K193-M197 PolarHBondContact O-N 2.68Å; K193-F218 HydrophobicContact CB-CE2 3.78Å; K193-F218 WeakPolarHBondContact O-CE2 3.41Å; K193-F225 HydrophobicContact CD-CD2 4.29Å; K193-F225 HydrophobicContact CD-CE2 3.49Å; K193-F225 VanDerWaalsContact CD-CE2 3.49Å; K193-F225 HydrophobicContact CD-CZ 3.68Å; K193-Q236 WeakPolarHBondContact CE-O 3.12Å; K193-Q236 PolarHBondContact NZ-O 3.38Å
194F92.4Very high90.6Very high6 Ų632.1 Ų32.13%0.02617%0.168CC..Hα-helixtrans-58.1-46.8168.9-79.9-55.9000110.2E88 A92 L190 Y191 E196 M197 N198 F218 L264 L268E88-F194 HydrophobicContact CG-CD1 3.89Å; E88-F194 HydrophobicContact CG-CE1 4.29Å; E88-F194 WeakPolarHBondContact OE1-CB 3.47Å; E88-F194 WeakPolarHBondContact OE1-CD1 3.41Å; E88-F194 VanDerWaalsContact OE1-O 3.1Å; A92-F194 HydrophobicContact CB-CD2 4.29Å; A92-F194 HydrophobicContact CB-CE2 4.01Å; A92-F194 HydrophobicContact CB-CZ 4.2Å; L190-F194 HydrophobicContact CD1-CE2 4.15Å; L190-F194 HydrophobicContact CD2-CE2 4.08Å; L190-F194 HydrophobicContact CG-CD2 4.14Å; L190-F194 HydrophobicContact CG-CE2 3.85Å; L190-F194 PolarHBondContact O-N 3.17Å; Y191-F194 HydrophobicContact CD1-CD2 4.43Å; Y191-F194 HydrophobicContact CG-CD2 4.39Å; Y191-F194 PolarHBondContact O-N 2.97Å; F194-E196 VanDerWaalsContact C-N 3.34Å; F194-E196 PolarHBondContact O-N 2.95Å; F194-M197 HydrophobicContact CD1-CE 4.39Å; F194-M197 PolarHBondContact O-N 3.34Å; F194-N198 VanDerWaalsContact O-CB 3.22Å; F194-N198 WeakPolarHBondContact O-CB 3.39Å; F194-N198 PolarHBondContact O-N 3.31Å; F194-F218 AromaticContact CD1-CE1 3.95Å; F194-F218 HydrophobicContact CD1-CE1 3.95Å; F194-F218 HydrophobicContact CD1-CE2 4.34Å; F194-F218 AromaticContact CD1-CZ 3.57Å; F194-F218 HydrophobicContact CD1-CZ 3.57Å; F194-F218 AromaticContact CE1-CE1 3.58Å; F194-F218 HydrophobicContact CE1-CE1 3.58Å; F194-F218 AromaticContact CE1-CZ 3.54Å; F194-F218 HydrophobicContact CE1-CZ 3.54Å; F194-F218 HydrophobicContact CG-CZ 4.24Å; F194-F218 HydrophobicContact CZ-CE1 4.36Å; F194-F218 HydrophobicContact CZ-CZ 4.19Å; F194-L264 HydrophobicContact CE2-CD1 4.37Å; F194-L264 HydrophobicContact CZ-CD1 4.08Å; F194-L264 HydrophobicContact CZ-CD2 4.13Å; F194-L268 HydrophobicContact CE1-CD1 4.36Å
195N88.4Confident89.7Confident42 Ų4239.5 Ų39.523%0.22520%0.202CC..Hα-helixtrans-61.8-38.8177.6-169.980000112.9Y191 F192 K193 N198 L199Y191-N195 WeakPolarHBondContact O-CB 3.38Å; Y191-N195 PolarHBondContact O-N 3.45Å; F192-N195 CarbonylContact O-C 3.46Å; F192-N195 WeakPolarHBondContact O-CA 3.48Å; F192-N195 WeakPolarHBondContact O-CB 3.5Å; F192-N195 PolarHBondContact O-N 2.85Å; F192-N195 VanDerWaalsContact O-N 3.1Å; K193-N195 VanDerWaalsContact C-N 3.3Å; N195-N198 PolarHBondContact O-N 3.11Å; N195-L199 VanDerWaalsContact O-CG 3.28Å; N195-L199 WeakPolarHBondContact O-CG 3.48Å; N195-L199 PolarHBondContact O-N 3.12Å
196E90.2Very high89.3Confident96 Ų9640.2 Ų40.245%0.44921%0.206SC..Hα-helixtrans-60.5-48.3173.6-70.6-177.7115.900111.9F192 K193 F194 N198 L199 L200F192-E196 HydrophobicContact CD1-CG 4.02Å; F192-E196 HydrophobicContact CE1-CG 3.68Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.39Å; F192-E196 HydrophobicContact CZ-CG 4.18Å; F192-E196 WeakPolarHBondContact O-CG 3.47Å; F192-E196 PolarHBondContact O-N 3.25Å; K193-E196 PolarHBondContact O-N 2.87Å; F194-E196 VanDerWaalsContact C-N 3.34Å; F194-E196 PolarHBondContact O-N 2.95Å; E196-N198 VanDerWaalsContact C-N 3.33Å; E196-N198 PolarHBondContact O-N 3.13Å; E196-L199 PolarHBondContact O-N 3.47Å; E196-L200 PolarHBondContact O-N 2.94Å
197M91.2Very high89Confident6 Ų640.3 Ų40.33%0.0321%0.207CC..Hα-helixtrans-61.3-46.1175.5-178.2-177.368.900110.6E88 K193 F194 L199 L200 L201 V215 F218E88-M197 HydrophobicContact CB-CE 4.13Å; E88-M197 HydrophobicContact CG-CE 3.46Å; E88-M197 VanDerWaalsContact CG-CE 3.46Å; E88-M197 WeakPolarHBondContact OE1-CE 3.4Å; E88-M197 VanDerWaalsContact OE2-CE 3.26Å; E88-M197 WeakPolarHBondContact OE2-CE 3.44Å; K193-M197 PolarHBondContact O-N 2.68Å; F194-M197 HydrophobicContact CD1-CE 4.39Å; F194-M197 PolarHBondContact O-N 3.34Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 3.5Å; M197-L200 WeakPolarHBondContact O-CA 3.36Å; M197-L200 VanDerWaalsContact O-CB 3.31Å; M197-L200 WeakPolarHBondContact O-CB 3.47Å; M197-L200 PolarHBondContact O-N 3.01Å; M197-L201 HydrophobicContact CE-CD1 4.38Å; M197-L201 HydrophobicContact CG-CD1 4.24Å; M197-L201 WeakPolarHBondContact O-CG 3.43Å; M197-L201 PolarHBondContact O-N 2.99Å; M197-L201 VanDerWaalsContact O-N 3.16Å; M197-V215 HydrophobicContact SD-CG2 4.46Å; M197-F218 HydrophobicContact CB-CB 4.35Å; M197-F218 HydrophobicContact CB-CD2 3.93Å; M197-F218 HydrophobicContact CB-CG 4.24Å; M197-F218 HydrophobicContact CE-CD1 4.25Å; M197-F218 HydrophobicContact CE-CG 4.4Å; M197-F218 HydrophobicContact CG-CB 4.05Å; M197-F218 HydrophobicContact CG-CD2 4.49Å; M197-F218 HydrophobicContact CG-CG 4.3Å; M197-F218 HydrophobicContact SD-CB 3.33Å; M197-F218 WeakPolarHBondContact SD-CB 3.23Å; M197-F218 HydrophobicContact SD-CD1 3.7Å; M197-F218 HydrophobicContact SD-CD2 4.11Å; M197-F218 HydrophobicContact SD-CG 3.44Å; M197-F218 WeakPolarHBondContact SD-CG 3.3Å
198N86.7Confident88.9Confident2 Ų240.6 Ų40.61%0.01121%0.208CC..Hα-helixtrans-61.2-37.8-178.1177.9-95.3000113W145 L146 F194 N195 E196 L200 L201 H202W145-N198 HydrophobicContact CH2-CB 4.43Å; W145-N198 WeakPolarHBondContact CH2-ND2 3.39Å; L146-N198 WeakPolarHBondContact CD2-ND2 3.43Å; L146-N198 WeakPolarHBondContact CD2-OD1 3.5Å; F194-N198 VanDerWaalsContact O-CB 3.22Å; F194-N198 WeakPolarHBondContact O-CB 3.39Å; F194-N198 PolarHBondContact O-N 3.31Å; N195-N198 PolarHBondContact O-N 3.11Å; E196-N198 VanDerWaalsContact C-N 3.33Å; E196-N198 PolarHBondContact O-N 3.13Å; N198-L200 PolarHBondContact O-N 3.34Å; N198-L201 CarbonylContact O-C 3.54Å; N198-L201 WeakPolarHBondContact O-CA 3.39Å; N198-L201 WeakPolarHBondContact O-CB 3.38Å; N198-L201 PolarHBondContact O-N 3.34Å; N198-H202 PolarHBondContact O-CD2 3.12Å; N198-H202 PolarHBondContact O-N 2.88Å; N198-H202 PolarHBondContact OD1-CE1 3.24Å; N198-H202 PolarHBondContact OD1-NE2 3.1Å
199L85.5Confident88.8Confident103 Ų10341.6 Ų41.654%0.53921%0.214SC..Hα-helixtrans-60.9-34.7173.5-74.5172.2000112.2N195 E196 M197 L201 H202N195-L199 VanDerWaalsContact O-CG 3.28Å; N195-L199 WeakPolarHBondContact O-CG 3.48Å; N195-L199 PolarHBondContact O-N 3.12Å; E196-L199 PolarHBondContact O-N 3.47Å; M197-L199 VanDerWaalsContact C-N 3.31Å; M197-L199 PolarHBondContact O-N 3.5Å; L199-L201 PolarHBondContact O-N 2.74Å; L199-H202 PolarHBondContact O-N 3.49Å
200L88.9Confident88.6Confident108 Ų10843.4 Ų43.457%0.56523%0.225SC*.Hα-helixtrans-71.5-21.1172.6-57.8173.8000112.5E196 M197 N198 H202 L206 A214E196-L200 PolarHBondContact O-N 2.94Å; M197-L200 WeakPolarHBondContact O-CA 3.36Å; M197-L200 VanDerWaalsContact O-CB 3.31Å; M197-L200 WeakPolarHBondContact O-CB 3.47Å; M197-L200 PolarHBondContact O-N 3.01Å; N198-L200 PolarHBondContact O-N 3.34Å; L200-H202 VanDerWaalsContact C-N 3.26Å; L200-L206 WeakPolarHBondContact O-CD1 3.48Å; L200-A214 HydrophobicContact CB-CB 4.11Å; L200-A214 HydrophobicContact CD1-CB 4.29Å
201L89Confident88.5Confident1 Ų143.4 Ų43.41%0.00523%0.225CC..THydrogen-bonded Turntrans-87.74.5175.4-58.9177.7000112.7V84 I85 M197 N198 L199 L206 T211 A214 V215V84-L201 HydrophobicContact CG2-CD1 4.08Å; V84-L201 HydrophobicContact CG2-CD2 4.17Å; I85-L201 HydrophobicContact CD1-CB 4.35Å; I85-L201 HydrophobicContact CG1-CB 4.07Å; I85-L201 HydrophobicContact CG1-CD1 4.45Å; M197-L201 HydrophobicContact CE-CD1 4.38Å; M197-L201 HydrophobicContact CG-CD1 4.24Å; M197-L201 WeakPolarHBondContact O-CG 3.43Å; M197-L201 PolarHBondContact O-N 2.99Å; M197-L201 VanDerWaalsContact O-N 3.16Å; N198-L201 CarbonylContact O-C 3.54Å; N198-L201 WeakPolarHBondContact O-CA 3.39Å; N198-L201 WeakPolarHBondContact O-CB 3.38Å; N198-L201 PolarHBondContact O-N 3.34Å; L199-L201 PolarHBondContact O-N 2.74Å; L201-L206 VanDerWaalsContact C-CD2 3.44Å; L201-L206 HydrophobicContact CB-CD2 4.42Å; L201-L206 HydrophobicContact CD2-CD2 4.47Å; L201-L206 VanDerWaalsContact O-CD2 3.23Å; L201-L206 WeakPolarHBondContact O-CD2 3.33Å; L201-T211 HydrophobicContact CD2-CG2 3.97Å; L201-A214 HydrophobicContact CD2-CB 4.25Å; L201-V215 HydrophobicContact CD1-CG2 4.25Å; L201-V215 HydrophobicContact CD2-CG2 4.05Å
202H79.7Confident88.6Confident40 Ų4047.2 Ų47.219%0.18524%0.24CC..  trans-110128.7171.5-62.6167.2000109.6N198 L199 L200 Y348N198-H202 PolarHBondContact O-CD2 3.12Å; N198-H202 PolarHBondContact O-N 2.88Å; N198-H202 PolarHBondContact OD1-CE1 3.24Å; N198-H202 PolarHBondContact OD1-NE2 3.1Å; L199-H202 PolarHBondContact O-N 3.49Å; L200-H202 VanDerWaalsContact C-N 3.26Å; H202-Y348 HydrophobicContact CB-CE1 4.47Å; H202-Y348 HydrophobicContact CB-CE2 4.25Å; H202-Y348 AromaticContact CD2-CD2 3.19Å; H202-Y348 WeakPolarHBondContact CD2-CD2 3.48Å; H202-Y348 AromaticContact CD2-CE2 3.43Å; H202-Y348 VanDerWaalsContact CD2-CE2 3.43Å; H202-Y348 WeakPolarHBondContact CD2-CE2 3.34Å; H202-Y348 AromaticContact CD2-CG 3.78Å; H202-Y348 AromaticContact CE1-CD2 3.85Å; H202-Y348 AromaticContact CE1-CE2 3.53Å; H202-Y348 AromaticContact CG-CD2 3.77Å; H202-Y348 AromaticContact CG-CE2 3.5Å; H202-Y348 AromaticContact CG-CZ 3.91Å; H202-Y348 AromaticContact ND1-CE2 3.56Å; H202-Y348 AromaticContact NE2-CD2 3.24Å; H202-Y348 WeakPolarHBondContact NE2-CD2 3.36Å; H202-Y348 AromaticContact NE2-CE2 3.43Å; H202-Y348 WeakPolarHBondContact NE2-CE2 3.4Å
203G76.7Confident88.6Confident35 Ų3546 Ų4636%0.36125%0.247SC..  trans162144.7173.700000112.9E205 L206G203-E205 PolarHBondContact O-N 3.47Å; G203-L206 WeakPolarHBondContact O-CB 3.48Å; G203-L206 PolarHBondContact O-N 3.21Å
204D74.4Confident88.6Confident105 Ų10545.7 Ų45.756%0.56125%0.249SC*.THydrogen-bonded Turntrans-71.4-17.5-179.1-60.8-21.2000111.8Q14Q14-D204 VanDerWaalsContact NE2-C 3.35Å; Q14-D204 PolarHBondContact NE2-O 3.5Å
205E78.1Confident88.8Confident154 Ų15445.4 Ų45.472%0.7225%0.248SC*.THydrogen-bonded Turntrans-98.61.8176.1-58.4-165.9167.500113.6G203 N207G203-E205 PolarHBondContact O-N 3.47Å; E205-N207 PolarHBondContact O-N 3Å
206L89.3Confident89.2Confident15 Ų1543.4 Ų43.48%0.07924%0.237CC..  trans-74.1119.3-175-16876.5000111.4R5 L200 L201 G203 P210 T211 P345R5-L206 VanDerWaalsContact CZ-O 3.24Å; R5-L206 PolarHBondContact NH1-O 3.38Å; R5-L206 PolarHBondContact NH2-O 3.45Å; L200-L206 WeakPolarHBondContact O-CD1 3.48Å; L201-L206 VanDerWaalsContact C-CD2 3.44Å; L201-L206 HydrophobicContact CB-CD2 4.42Å; L201-L206 HydrophobicContact CD2-CD2 4.47Å; L201-L206 VanDerWaalsContact O-CD2 3.23Å; L201-L206 WeakPolarHBondContact O-CD2 3.33Å; G203-L206 WeakPolarHBondContact O-CB 3.48Å; G203-L206 PolarHBondContact O-N 3.21Å; L206-P210 HydrophobicContact CD1-CB 4.17Å; L206-P210 HydrophobicContact CD1-CG 3.91Å; L206-T211 WeakPolarHBondContact CG-OG1 3.29Å; L206-P345 HydrophobicContact CB-CG 4.4Å; L206-P345 HydrophobicContact CD2-CB 4.44Å; L206-P345 HydrophobicContact CD2-CG 3.48Å; L206-P345 VanDerWaalsContact CD2-CG 3.48Å; L206-P345 HydrophobicContact CG-CG 3.79Å; L206-P345 WeakPolarHBondContact O-CD 3.43Å
207N92.5Very high89.4Confident3 Ų340.3 Ų40.32%0.01623%0.231CC..  trans-121.6-173.3171.867.760.6000111.2E205 I209 P210 T211 Q318 L340 L341E205-N207 PolarHBondContact O-N 3Å; N207-I209 VanDerWaalsContact C-N 3.26Å; N207-I209 PolarHBondContact O-N 3.46Å; N207-I209 WeakPolarHBondContact OD1-CB 3.2Å; N207-I209 PolarHBondContact OD1-N 3.12Å; N207-I209 VanDerWaalsContact OD1-N 3.11Å; N207-P210 WeakPolarHBondContact O-CD 3.44Å; N207-P210 WeakPolarHBondContact OD1-CD 3.49Å; N207-T211 VanDerWaalsContact O-CB 3.31Å; N207-T211 WeakPolarHBondContact O-CB 3.21Å; N207-T211 PolarHBondContact O-N 3.14Å; N207-T211 PolarHBondContact O-OG1 3.19Å; N207-Q318 VanDerWaalsContact ND2-CD 3.34Å; N207-Q318 PolarHBondContact ND2-NE2 3.23Å; N207-L340 WeakPolarHBondContact CB-O 3.45Å; N207-L341 WeakPolarHBondContact CB-O 3.39Å; N207-L341 WeakPolarHBondContact ND2-CD2 3.44Å
208L94.2Very high89.7Confident6 Ų640.6 Ų40.63%0.03123%0.232CC..Hα-helixtrans-66.4-27.2-171.4-64.2178.9000113.5V81 R212 M278 L340 A343 P345V81-L208 HydrophobicContact CG1-CD2 4.1Å; V81-L208 HydrophobicContact CG2-CD1 4.29Å; V81-L208 HydrophobicContact CG2-CD2 4.01Å; L208-R212 WeakPolarHBondContact O-CB 2.98Å; L208-R212 PolarHBondContact O-N 3.17Å; L208-M278 HydrophobicContact CB-CE 3.7Å; L208-M278 HydrophobicContact CB-SD 3.71Å; L208-M278 HydrophobicContact CD1-SD 3.72Å; L208-M278 HydrophobicContact CG-SD 4.31Å; L208-L340 PolarHBondContact N-O 3.45Å; L208-L340 VanDerWaalsContact N-O 3.16Å; L208-A343 HydrophobicContact CD1-CB 3.61Å; L208-A343 HydrophobicContact CD2-CB 4.37Å; L208-A343 HydrophobicContact CG-CB 3.83Å; L208-P345 HydrophobicContact CD2-CB 4.19Å
209I94.1Very high90.2Very high21 Ų2140.8 Ų40.811%0.10823%0.233CC..Hα-helixtrans-69.6-59.4-177.1-61.8169.2000112.4N207 T211 R212 A213 V280 V284 I285 Y317 L340 L341N207-I209 VanDerWaalsContact C-N 3.26Å; N207-I209 PolarHBondContact O-N 3.46Å; N207-I209 WeakPolarHBondContact OD1-CB 3.2Å; N207-I209 PolarHBondContact OD1-N 3.12Å; N207-I209 VanDerWaalsContact OD1-N 3.11Å; I209-T211 PolarHBondContact O-N 2.88Å; I209-R212 WeakPolarHBondContact O-CB 3.39Å; I209-R212 PolarHBondContact O-N 3.44Å; I209-A213 PolarHBondContact O-N 3.4Å; I209-A213 VanDerWaalsContact O-N 3.17Å; I209-V280 HydrophobicContact CD1-CG1 4.05Å; I209-V280 HydrophobicContact CG1-CG1 4.04Å; I209-V280 HydrophobicContact CG1-CG2 4.24Å; I209-V284 HydrophobicContact CD1-CG1 3.82Å; I209-I285 HydrophobicContact CD1-CD1 4.23Å; I209-I285 HydrophobicContact CG2-CD1 3.84Å; I209-Y317 HydrophobicContact CD1-CE2 3.86Å; I209-L340 HydrophobicContact CD1-CB 4.12Å; I209-L340 HydrophobicContact CD1-CD1 4.27Å; I209-L340 HydrophobicContact CG1-CB 4.29Å; I209-L341 HydrophobicContact CD1-CD2 4.3Å
210P92.8Very high90.8Very high42 Ų4245 Ų4527%0.27324%0.242SC..Hα-helixtrans-65-28.9176.326.7-33.2000111.9L206 N207 A213 A214L206-P210 HydrophobicContact CD1-CB 4.17Å; L206-P210 HydrophobicContact CD1-CG 3.91Å; N207-P210 WeakPolarHBondContact O-CD 3.44Å; N207-P210 WeakPolarHBondContact OD1-CD 3.49Å; P210-A213 PolarHBondContact O-N 3.03Å; P210-A214 WeakPolarHBondContact O-CB 3.22Å; P210-A214 PolarHBondContact O-N 2.9Å
211T94.6Very high91.2Very high0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-59.5-49.6171.7-62.20000111.6V84 L201 L206 N207 I209 A213 A214 V215 P345V84-T211 HydrophobicContact CB-CG2 4.36Å; V84-T211 HydrophobicContact CG1-CG2 3.77Å; V84-T211 HydrophobicContact CG2-CG2 4.02Å; L201-T211 HydrophobicContact CD2-CG2 3.97Å; L206-T211 WeakPolarHBondContact CG-OG1 3.29Å; N207-T211 VanDerWaalsContact O-CB 3.31Å; N207-T211 WeakPolarHBondContact O-CB 3.21Å; N207-T211 PolarHBondContact O-N 3.14Å; N207-T211 PolarHBondContact O-OG1 3.19Å; I209-T211 PolarHBondContact O-N 2.88Å; T211-A213 VanDerWaalsContact C-N 3.27Å; T211-A213 PolarHBondContact O-N 2.96Å; T211-A214 PolarHBondContact O-N 3.46Å; T211-V215 HydrophobicContact CG2-CG2 4.39Å; T211-V215 WeakPolarHBondContact O-CG2 3.44Å; T211-V215 PolarHBondContact O-N 3.03Å; T211-P345 HydrophobicContact CG2-CB 3.75Å; T211-P345 WeakPolarHBondContact OG1-CB 3.16Å; T211-P345 WeakPolarHBondContact OG1-CG 3.36Å
212R94.9Very high91.7Very high88 Ų8845.2 Ų45.233%0.33224%0.238SC..Hα-helixtrans-58.1-41.8177.3-180179.8-177.2-136.84.2111.3L208 I209 G216 I275 F276 M278L208-R212 WeakPolarHBondContact O-CB 2.98Å; L208-R212 PolarHBondContact O-N 3.17Å; I209-R212 WeakPolarHBondContact O-CB 3.39Å; I209-R212 PolarHBondContact O-N 3.44Å; R212-G216 WeakPolarHBondContact O-CA 3.27Å; R212-G216 PolarHBondContact O-N 3.25Å; R212-I275 HydrophobicContact CB-CG2 3.89Å; R212-I275 VanDerWaalsContact CD-O 3.26Å; R212-I275 WeakPolarHBondContact CD-O 3.33Å; R212-I275 HydrophobicContact CG-CG2 4.14Å; R212-I275 WeakPolarHBondContact CG-O 3.46Å; R212-I275 PolarHBondContact NE-O 3.28Å; R212-F276 PolarHBondContact NE-O 3.24Å; R212-F276 PolarHBondContact NH2-O 2.99Å; R212-M278 HydrophobicContact CB-CE 4.32Å; R212-M278 VanDerWaalsContact CZ-O 3.32Å
213A93.6Very high92.6Very high67 Ų6745.8 Ų45.855%0.55425%0.245SC*.Hα-helixtrans-65-47.5177.100000112.4I209 P210 T211 G216 G217I209-A213 PolarHBondContact O-N 3.4Å; I209-A213 VanDerWaalsContact O-N 3.17Å; P210-A213 PolarHBondContact O-N 3.03Å; T211-A213 VanDerWaalsContact C-N 3.27Å; T211-A213 PolarHBondContact O-N 2.96Å; A213-G216 PolarHBondContact O-N 3.44Å; A213-G217 PolarHBondContact O-N 2.95Å
214A94.2Very high93.6Very high19 Ų1947.2 Ų47.216%0.15724%0.244CC..Hα-helixtrans-62.1-51.8-178.900000112L200 L201 P210 T211 G217 F218L200-A214 HydrophobicContact CB-CB 4.11Å; L200-A214 HydrophobicContact CD1-CB 4.29Å; L201-A214 HydrophobicContact CD2-CB 4.25Å; P210-A214 WeakPolarHBondContact O-CB 3.22Å; P210-A214 PolarHBondContact O-N 2.9Å; T211-A214 PolarHBondContact O-N 3.46Å; A214-G217 PolarHBondContact O-N 3.28Å; A214-F218 PolarHBondContact O-N 3.46Å; A214-F218 VanDerWaalsContact O-N 3.09Å
215V95.5Very high94.8Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-64.3-45.9178.4177.10000110.6M197 L201 T211 G217 F218 V219 Y272 F276M197-V215 HydrophobicContact SD-CG2 4.46Å; L201-V215 HydrophobicContact CD1-CG2 4.25Å; L201-V215 HydrophobicContact CD2-CG2 4.05Å; T211-V215 HydrophobicContact CG2-CG2 4.39Å; T211-V215 WeakPolarHBondContact O-CG2 3.44Å; T211-V215 PolarHBondContact O-N 3.03Å; V215-G217 VanDerWaalsContact C-N 3.27Å; V215-G217 PolarHBondContact O-N 3.01Å; V215-F218 PolarHBondContact O-N 2.87Å; V215-V219 HydrophobicContact CG1-CG2 4.21Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 3.16Å; V215-Y272 HydrophobicContact CG1-CD1 3.94Å; V215-Y272 HydrophobicContact CG1-CD2 3.29Å; V215-Y272 HydrophobicContact CG1-CE1 4.05Å; V215-Y272 HydrophobicContact CG1-CE2 3.39Å; V215-Y272 HydrophobicContact CG1-CG 3.56Å; V215-Y272 HydrophobicContact CG2-CE1 4.35Å; V215-F276 HydrophobicContact CB-CE1 4.45Å; V215-F276 HydrophobicContact CG1-CE1 3.95Å; V215-F276 HydrophobicContact CG1-CZ 3.9Å
216G96.1Very high95.7Very high1 Ų140.2 Ų40.21%0.0120%0.204CC..Hα-helixtrans-63.3-33.7179.700000112.9R212 A213 R220R212-G216 WeakPolarHBondContact O-CA 3.27Å; R212-G216 PolarHBondContact O-N 3.25Å; A213-G216 PolarHBondContact O-N 3.44Å; G216-R220 WeakPolarHBondContact O-CB 3.27Å; G216-R220 VanDerWaalsContact O-CG 3.25Å; G216-R220 WeakPolarHBondContact O-CG 3.42Å; G216-R220 PolarHBondContact O-N 2.9Å; G216-R220 PolarHBondContact O-NE 3.21Å; G216-R220 VanDerWaalsContact O-NE 3.16Å
217G96.4Very high96.2Very high30 Ų3045.5 Ų45.531%0.30922%0.223SC..Hα-helixtrans-68-42.8173.800000112.4A213 A214 V215 K221A213-G217 PolarHBondContact O-N 2.95Å; A214-G217 PolarHBondContact O-N 3.28Å; V215-G217 VanDerWaalsContact C-N 3.27Å; V215-G217 PolarHBondContact O-N 3.01Å; G217-K221 VanDerWaalsContact O-CG 3.27Å; G217-K221 WeakPolarHBondContact O-CG 3.44Å; G217-K221 PolarHBondContact O-N 3.39Å
218F97Very high96.5Very high13 Ų1346 Ų466%0.05723%0.225CC..Hα-helixtrans-66.4-49.7176.9-178.6-91.5000112.1K193 F194 M197 A214 V215 R220 K221 L222 L268K193-F218 HydrophobicContact CB-CE2 3.78Å; K193-F218 WeakPolarHBondContact O-CE2 3.41Å; F194-F218 AromaticContact CD1-CE1 3.95Å; F194-F218 HydrophobicContact CD1-CE1 3.95Å; F194-F218 HydrophobicContact CD1-CE2 4.34Å; F194-F218 AromaticContact CD1-CZ 3.57Å; F194-F218 HydrophobicContact CD1-CZ 3.57Å; F194-F218 AromaticContact CE1-CE1 3.58Å; F194-F218 HydrophobicContact CE1-CE1 3.58Å; F194-F218 AromaticContact CE1-CZ 3.54Å; F194-F218 HydrophobicContact CE1-CZ 3.54Å; F194-F218 HydrophobicContact CG-CZ 4.24Å; F194-F218 HydrophobicContact CZ-CE1 4.36Å; F194-F218 HydrophobicContact CZ-CZ 4.19Å; M197-F218 HydrophobicContact CB-CB 4.35Å; M197-F218 HydrophobicContact CB-CD2 3.93Å; M197-F218 HydrophobicContact CB-CG 4.24Å; M197-F218 HydrophobicContact CE-CD1 4.25Å; M197-F218 HydrophobicContact CE-CG 4.4Å; M197-F218 HydrophobicContact CG-CB 4.05Å; M197-F218 HydrophobicContact CG-CD2 4.49Å; M197-F218 HydrophobicContact CG-CG 4.3Å; M197-F218 HydrophobicContact SD-CB 3.33Å; M197-F218 WeakPolarHBondContact SD-CB 3.23Å; M197-F218 HydrophobicContact SD-CD1 3.7Å; M197-F218 HydrophobicContact SD-CD2 4.11Å; M197-F218 HydrophobicContact SD-CG 3.44Å; M197-F218 WeakPolarHBondContact SD-CG 3.3Å; A214-F218 PolarHBondContact O-N 3.46Å; A214-F218 VanDerWaalsContact O-N 3.09Å; V215-F218 PolarHBondContact O-N 2.87Å; F218-R220 VanDerWaalsContact C-N 3.32Å; F218-R220 PolarHBondContact O-N 3.47Å; F218-K221 WeakPolarHBondContact O-CB 3.5Å; F218-K221 PolarHBondContact O-N 3.5Å; F218-L222 HydrophobicContact CE1-CD1 4.22Å; F218-L222 HydrophobicContact CE1-CD2 4.12Å; F218-L222 HydrophobicContact CE1-CG 4.36Å; F218-L222 HydrophobicContact CZ-CD2 4.31Å; F218-L268 HydrophobicContact CD1-CD1 4.32Å; F218-L268 HydrophobicContact CE1-CD1 3.9Å
219V97.8Very high96.6Very high5 Ų545.8 Ų45.83%0.0322%0.224CC..Hα-helixtrans-60.2-42.8-177.8174.40000111.1V215 K221 L222 P223 H265 L268 Y272 F276V215-V219 HydrophobicContact CG1-CG2 4.21Å; V215-V219 WeakPolarHBondContact O-CG2 3.48Å; V215-V219 PolarHBondContact O-N 3.16Å; V219-K221 PolarHBondContact O-N 3.07Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 PolarHBondContact O-N 3.34Å; V219-L222 VanDerWaalsContact O-N 3.13Å; V219-P223 WeakPolarHBondContact O-CD 3.06Å; V219-H265 PolarHBondContact O-CD2 2.84Å; V219-L268 HydrophobicContact CG2-CB 3.74Å; V219-L268 HydrophobicContact CG2-CD1 4.43Å; V219-Y272 HydrophobicContact CG2-CD2 4.49Å; V219-F276 HydrophobicContact CB-CZ 4.15Å; V219-F276 HydrophobicContact CG1-CE2 4.44Å; V219-F276 HydrophobicContact CG1-CZ 4.41Å; V219-F276 HydrophobicContact CG2-CZ 3.97Å
220R97.2Very high96.8Very high192 Ų19247.1 Ų47.173%0.72524%0.239SC*.Hα-helixtrans-64.3-22.2176.5-76.8-177.1-112.8-1253.1114.4G216 F218G216-R220 WeakPolarHBondContact O-CB 3.27Å; G216-R220 VanDerWaalsContact O-CG 3.25Å; G216-R220 WeakPolarHBondContact O-CG 3.42Å; G216-R220 PolarHBondContact O-N 2.9Å; G216-R220 PolarHBondContact O-NE 3.21Å; G216-R220 VanDerWaalsContact O-NE 3.16Å; F218-R220 VanDerWaalsContact C-N 3.32Å; F218-R220 PolarHBondContact O-N 3.47Å
221K98.2Very high97Very high113 Ų11352.5 Ų52.549%0.49125%0.253SS..Hα-helixtrans-77.8-21.4176-72.3168.7-177.3178.90112.7G217 F218 V219 L224 F225G217-K221 VanDerWaalsContact O-CG 3.27Å; G217-K221 WeakPolarHBondContact O-CG 3.44Å; G217-K221 PolarHBondContact O-N 3.39Å; F218-K221 WeakPolarHBondContact O-CB 3.5Å; F218-K221 PolarHBondContact O-N 3.5Å; V219-K221 PolarHBondContact O-N 3.07Å; K221-L224 WeakPolarHBondContact O-CB 3.41Å; K221-L224 PolarHBondContact O-N 3.04Å; K221-F225 HydrophobicContact CB-CD1 4.44Å; K221-F225 HydrophobicContact CB-CD2 4.46Å; K221-F225 HydrophobicContact CB-CE1 3.84Å; K221-F225 HydrophobicContact CB-CE2 3.85Å; K221-F225 HydrophobicContact CB-CZ 3.52Å; K221-F225 HydrophobicContact CD-CZ 4.05Å; K221-F225 HydrophobicContact CG-CE1 4.46Å; K221-F225 HydrophobicContact CG-CZ 4.25Å; K221-F225 WeakPolarHBondContact O-CD1 3.18Å; K221-F225 WeakPolarHBondContact O-CG 3.28Å; K221-F225 PolarHBondContact O-N 3.21Å
222L98.5Very high97Very high0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-62.2-45.4-175.9-64.1169.8000113.6F218 V219 L224 F225 R226 L261 L264 H265 L268F218-L222 HydrophobicContact CE1-CD1 4.22Å; F218-L222 HydrophobicContact CE1-CD2 4.12Å; F218-L222 HydrophobicContact CE1-CG 4.36Å; F218-L222 HydrophobicContact CZ-CD2 4.31Å; V219-L222 WeakPolarHBondContact O-CB 3.48Å; V219-L222 PolarHBondContact O-N 3.34Å; V219-L222 VanDerWaalsContact O-N 3.13Å; L222-L224 VanDerWaalsContact C-N 3.28Å; L222-L224 PolarHBondContact O-N 3.45Å; L222-F225 HydrophobicContact CD2-CD2 4.16Å; L222-F225 PolarHBondContact O-N 3.06Å; L222-R226 PolarHBondContact O-N 3.36Å; L222-L261 HydrophobicContact CD2-CD2 4Å; L222-L264 HydrophobicContact CD1-CB 4.23Å; L222-H265 HydrophobicContact CB-CB 3.99Å; L222-H265 HydrophobicContact CD1-CB 4.2Å; L222-L268 HydrophobicContact CD1-CD1 3.59Å
223P98.6Very high97.1Very high52 Ų5256.3 Ų56.334%0.33827%0.272SS..Hα-helixtrans-62.8-35.2174.3-23.935.6000112.9V219 R226 R227V219-P223 WeakPolarHBondContact O-CD 3.06Å; P223-R226 PolarHBondContact O-N 3.44Å; P223-R227 WeakPolarHBondContact O-CB 3.41Å; P223-R227 PolarHBondContact O-N 3.28Å
224L98.3Very high97.2Very high65 Ų6553.5 Ų53.534%0.3425%0.248SC..Hα-helixtrans-64-47.9174.6175.465.9000110.8K221 L222 R226 R227 N228K221-L224 WeakPolarHBondContact O-CB 3.41Å; K221-L224 PolarHBondContact O-N 3.04Å; L222-L224 VanDerWaalsContact C-N 3.28Å; L222-L224 PolarHBondContact O-N 3.45Å; L224-R226 VanDerWaalsContact C-N 3.3Å; L224-R226 PolarHBondContact O-N 3.46Å; L224-R227 VanDerWaalsContact CD1-NH2 3.33Å; L224-R227 PolarHBondContact O-N 3.29Å; L224-N228 VanDerWaalsContact O-CG 3.31Å; L224-N228 PolarHBondContact O-N 3.42Å; L224-N228 PolarHBondContact O-OD1 2.95Å
225F98.5Very high97.3Very high13 Ų1355.8 Ų55.86%0.05727%0.273CS..Hα-helixtrans-57.7-44.8176.4-63.5-16.6000111.3K193 K221 L222 N228 L229 Q236 F237 L261K193-F225 HydrophobicContact CD-CD2 4.29Å; K193-F225 HydrophobicContact CD-CE2 3.49Å; K193-F225 VanDerWaalsContact CD-CE2 3.49Å; K193-F225 HydrophobicContact CD-CZ 3.68Å; K221-F225 HydrophobicContact CB-CD1 4.44Å; K221-F225 HydrophobicContact CB-CD2 4.46Å; K221-F225 HydrophobicContact CB-CE1 3.84Å; K221-F225 HydrophobicContact CB-CE2 3.85Å; K221-F225 HydrophobicContact CB-CZ 3.52Å; K221-F225 HydrophobicContact CD-CZ 4.05Å; K221-F225 HydrophobicContact CG-CE1 4.46Å; K221-F225 HydrophobicContact CG-CZ 4.25Å; K221-F225 WeakPolarHBondContact O-CD1 3.18Å; K221-F225 WeakPolarHBondContact O-CG 3.28Å; K221-F225 PolarHBondContact O-N 3.21Å; L222-F225 HydrophobicContact CD2-CD2 4.16Å; L222-F225 PolarHBondContact O-N 3.06Å; F225-N228 PolarHBondContact O-N 3Å; F225-L229 WeakPolarHBondContact O-CB 3.09Å; F225-L229 PolarHBondContact O-N 2.84Å; F225-Q236 HydrophobicContact CD1-CB 3.93Å; F225-Q236 HydrophobicContact CD1-CG 3.82Å; F225-Q236 HydrophobicContact CE1-CB 3.98Å; F225-Q236 HydrophobicContact CE1-CG 3.77Å; F225-F237 HydrophobicContact CB-CE2 3.91Å; F225-F237 HydrophobicContact CB-CZ 3.97Å; F225-F237 HydrophobicContact CD2-CZ 4.48Å; F225-F237 HydrophobicContact CG-CE2 4.33Å; F225-F237 HydrophobicContact CG-CZ 4.31Å; F225-L261 HydrophobicContact CB-CD1 4.03Å; F225-L261 HydrophobicContact CB-CD2 4.4Å
226R98.4Very high97.3Very high100 Ų10058.5 Ų58.538%0.37729%0.285SS..Hα-helixtrans-61.5-47.1177.8178.7-97-171.6-147.8-5.1111.9L222 P223 L224 N228 L229 A230 C258 L261 D262L222-R226 PolarHBondContact O-N 3.36Å; P223-R226 PolarHBondContact O-N 3.44Å; L224-R226 VanDerWaalsContact C-N 3.3Å; L224-R226 PolarHBondContact O-N 3.46Å; R226-N228 PolarHBondContact O-N 2.84Å; R226-L229 PolarHBondContact O-N 3.2Å; R226-A230 WeakPolarHBondContact O-CB 3.44Å; R226-A230 PolarHBondContact O-N 3.22Å; R226-C258 HydrophobicContact CG-CB 4.04Å; R226-L261 HydrophobicContact CB-CB 3.92Å; R226-L261 HydrophobicContact CB-CD1 4.09Å; R226-L261 HydrophobicContact CG-CB 4.46Å; R226-D262 WeakPolarHBondContact CD-OD1 3.42Å; R226-D262 WeakPolarHBondContact CG-OD1 3.42Å; R226-D262 IonicContact CZ-OD2 3.88Å; R226-D262 IonicContact NE-OD1 3.5Å; R226-D262 PolarHBondContact NE-OD1 3.07Å; R226-D262 IonicContact NE-OD2 3.57Å; R226-D262 PolarHBondContact NE-OD2 2.91Å; R226-D262 IonicContact NH2-OD2 3.35Å
227R98.5Very high97.4Very high126 Ų12658.4 Ų58.448%0.47529%0.285SS..Hα-helixtrans-60.9-46178.9-177.717968.3-178.10.2112.2P223 L224 R231P223-R227 WeakPolarHBondContact O-CB 3.41Å; P223-R227 PolarHBondContact O-N 3.28Å; L224-R227 VanDerWaalsContact CD1-NH2 3.33Å; L224-R227 PolarHBondContact O-N 3.29Å; R227-R231 WeakPolarHBondContact O-CG 3.07Å; R227-R231 PolarHBondContact O-N 2.6Å
228N98.2Very high97.4Very high13 Ų1360.5 Ų60.57%0.0729%0.293CS..Hα-helixtrans-69.3-42-178.7-66.14.8000110.8L224 F225 R226 A230 R231 R232 E233 Q236L224-N228 VanDerWaalsContact O-CG 3.31Å; L224-N228 PolarHBondContact O-N 3.42Å; L224-N228 PolarHBondContact O-OD1 2.95Å; F225-N228 PolarHBondContact O-N 3Å; R226-N228 PolarHBondContact O-N 2.84Å; N228-A230 VanDerWaalsContact C-N 3.34Å; N228-A230 PolarHBondContact O-N 3.26Å; N228-R231 CarbonylContact O-C 3.32Å; N228-R231 WeakPolarHBondContact O-CA 3.12Å; N228-R231 PolarHBondContact O-N 3.07Å; N228-R232 PolarHBondContact O-N 2.86Å; N228-E233 HydrophobicContact CB-CB 4.1Å; N228-E233 WeakPolarHBondContact O-CB 3.29Å; N228-E233 PolarHBondContact O-N 3.27Å; N228-Q236 PolarHBondContact ND2-NE2 3.06Å; N228-Q236 VanDerWaalsContact ND2-NE2 3.11Å; N228-Q236 PolarHBondContact ND2-OE1 2.86Å; N228-Q236 VanDerWaalsContact ND2-OE1 3.12Å
229L97.6Very high97.5Very high1 Ų161.8 Ų61.81%0.00530%0.3CS..Hα-helixtrans-61.8-40.3176.6-170.5146000111.8Y186 F225 R226 R231 R232 L234 F237 L240 V254 Y257 C258 L261Y186-L229 HydrophobicContact CE2-CD1 4.42Å; F225-L229 WeakPolarHBondContact O-CB 3.09Å; F225-L229 PolarHBondContact O-N 2.84Å; R226-L229 PolarHBondContact O-N 3.2Å; L229-R231 PolarHBondContact O-N 2.98Å; L229-R232 WeakPolarHBondContact O-CA 3.4Å; L229-R232 PolarHBondContact O-N 3.06Å; L229-L234 HydrophobicContact CD1-CD2 4.48Å; L229-L234 HydrophobicContact CG-CD2 4.15Å; L229-F237 HydrophobicContact CB-CE2 4.46Å; L229-F237 HydrophobicContact CD1-CD2 4.11Å; L229-F237 HydrophobicContact CD1-CE2 3.91Å; L229-F237 HydrophobicContact CD1-CZ 4.13Å; L229-L240 HydrophobicContact CD1-CD1 4.31Å; L229-V254 HydrophobicContact CD2-CG1 3.9Å; L229-V254 WeakPolarHBondContact CD2-O 3.24Å; L229-Y257 HydrophobicContact CD1-CD2 4.32Å; L229-C258 WeakPolarHBondContact CD2-SG 3.27Å; L229-L261 HydrophobicContact CD1-CD1 4.35Å
230A97.5Very high97.4Very high50 Ų5061.5 Ų61.541%0.41330%0.299SS..Hα-helixtrans-61.5-28.1174.100000113.4R226 N228 R232R226-A230 WeakPolarHBondContact O-CB 3.44Å; R226-A230 PolarHBondContact O-N 3.22Å; N228-A230 VanDerWaalsContact C-N 3.34Å; N228-A230 PolarHBondContact O-N 3.26Å; A230-R232 VanDerWaalsContact C-N 3.31Å
231R96.8Very high97.4Very high154 Ų15454.3 Ų54.358%0.58128%0.277SS*.THydrogen-bonded Turntrans-88.73.4174.4-65.4175.6-179.6-175.3-3.7113.2R227 N228 L229 E233R227-R231 WeakPolarHBondContact O-CG 3.07Å; R227-R231 PolarHBondContact O-N 2.6Å; N228-R231 CarbonylContact O-C 3.32Å; N228-R231 WeakPolarHBondContact O-CA 3.12Å; N228-R231 PolarHBondContact O-N 3.07Å; L229-R231 PolarHBondContact O-N 2.98Å; R231-E233 HydrophobicContact CB-CG 3.98Å; R231-E233 PolarHBondContact O-N 3.12Å
232R95.6Very high97.3Very high73 Ų7352.6 Ų52.628%0.27528%0.276SS..THydrogen-bonded Turntrans58.423.3-172.1-57.3170171.7-95.14.7112.9N228 L229 A230 L234 M249 D251N228-R232 PolarHBondContact O-N 2.86Å; L229-R232 WeakPolarHBondContact O-CA 3.4Å; L229-R232 PolarHBondContact O-N 3.06Å; A230-R232 VanDerWaalsContact C-N 3.31Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.29Å; R232-L234 VanDerWaalsContact O-N 3.12Å; R232-M249 PolarHBondContact NH1-O 3.04Å; R232-M249 PolarHBondContact NH2-O 2.9Å; R232-D251 IonicContact CZ-OD1 3.38Å; R232-D251 IonicContact NH2-OD1 2.73Å; R232-D251 PolarHBondContact NH2-OD1 2.59Å
233E96.4Very high97.2Very high95 Ų9553.1 Ų53.144%0.44428%0.279SS..  trans-8478.1171.4-67.7171.1-162.500108.9N228 R231 G235N228-E233 HydrophobicContact CB-CB 4.1Å; N228-E233 WeakPolarHBondContact O-CB 3.29Å; N228-E233 PolarHBondContact O-N 3.27Å; R231-E233 HydrophobicContact CB-CG 3.98Å; R231-E233 PolarHBondContact O-N 3.12Å; E233-G235 PolarHBondContact O-N 3.12Å
234L96.3Very high97Very high9 Ų952.9 Ų52.95%0.04727%0.273CS..G310 helixtrans-81.321.7-169.4-58.2173.1000114.1L229 R232 Q236 F237 L240 C241 Q244 M249L229-L234 HydrophobicContact CD1-CD2 4.48Å; L229-L234 HydrophobicContact CG-CD2 4.15Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.29Å; R232-L234 VanDerWaalsContact O-N 3.12Å; L234-Q236 PolarHBondContact O-N 3.32Å; L234-Q236 VanDerWaalsContact O-N 3.12Å; L234-F237 CarbonylContact O-C 3.48Å; L234-F237 VanDerWaalsContact O-C 3.28Å; L234-F237 WeakPolarHBondContact O-CA 3.16Å; L234-F237 PolarHBondContact O-N 2.89Å; L234-F237 VanDerWaalsContact O-O 3.08Å; L234-L240 HydrophobicContact CD1-CB 4.15Å; L234-L240 HydrophobicContact CD2-CB 4.46Å; L234-C241 HydrophobicContact CB-CB 3.78Å; L234-Q244 HydrophobicContact CD1-CB 3.66Å; L234-Q244 HydrophobicContact CD1-CG 3.98Å; L234-M249 HydrophobicContact CD1-SD 3.79Å
235G95.6Very high96.8Very high66 Ų6658 Ų5868%0.6829%0.293SS*.G310 helixtrans-59.5-28.1-175.600000114.1E233E233-G235 PolarHBondContact O-N 3.12Å
236Q96.5Very high96.5Very high57 Ų5763.6 Ų63.627%0.26632%0.317SS..G310 helixtrans-85.3-8.4175.2-6180.121.600113.3K193 F225 N228 L234 P238K193-Q236 WeakPolarHBondContact CE-O 3.12Å; K193-Q236 PolarHBondContact NZ-O 3.38Å; F225-Q236 HydrophobicContact CD1-CB 3.93Å; F225-Q236 HydrophobicContact CD1-CG 3.82Å; F225-Q236 HydrophobicContact CE1-CB 3.98Å; F225-Q236 HydrophobicContact CE1-CG 3.77Å; N228-Q236 PolarHBondContact ND2-NE2 3.06Å; N228-Q236 VanDerWaalsContact ND2-NE2 3.11Å; N228-Q236 PolarHBondContact ND2-OE1 2.86Å; N228-Q236 VanDerWaalsContact ND2-OE1 3.12Å; L234-Q236 PolarHBondContact O-N 3.32Å; L234-Q236 VanDerWaalsContact O-N 3.12Å; Q236-P238 WeakPolarHBondContact O-CD 3.47Å
237F97.9Very high96.1Very high0 Ų063.2 Ų63.20%033%0.326CS..  trans-123.874.7-176.2-64.8-89.2000109Y186 D189 F225 L229 L234 N239 L240 C241 L261Y186-F237 HydrophobicContact CD2-CD1 4.25Å; Y186-F237 HydrophobicContact CD2-CE1 4.03Å; Y186-F237 AromaticContact CE2-CE1 3.84Å; Y186-F237 HydrophobicContact CE2-CE1 3.84Å; Y186-F237 HydrophobicContact CE2-CZ 4.41Å; D189-F237 HydrophobicContact CB-CB 4.25Å; D189-F237 HydrophobicContact CB-CD1 3.57Å; D189-F237 HydrophobicContact CB-CE1 4.41Å; D189-F237 HydrophobicContact CB-CG 4.35Å; D189-F237 WeakPolarHBondContact OD2-CA 3.37Å; D189-F237 VanDerWaalsContact OD2-CB 3.29Å; D189-F237 WeakPolarHBondContact OD2-CB 3.28Å; F225-F237 HydrophobicContact CB-CE2 3.91Å; F225-F237 HydrophobicContact CB-CZ 3.97Å; F225-F237 HydrophobicContact CD2-CZ 4.48Å; F225-F237 HydrophobicContact CG-CE2 4.33Å; F225-F237 HydrophobicContact CG-CZ 4.31Å; L229-F237 HydrophobicContact CB-CE2 4.46Å; L229-F237 HydrophobicContact CD1-CD2 4.11Å; L229-F237 HydrophobicContact CD1-CE2 3.91Å; L229-F237 HydrophobicContact CD1-CZ 4.13Å; L234-F237 CarbonylContact O-C 3.48Å; L234-F237 VanDerWaalsContact O-C 3.28Å; L234-F237 WeakPolarHBondContact O-CA 3.16Å; L234-F237 PolarHBondContact O-N 2.89Å; L234-F237 VanDerWaalsContact O-O 3.08Å; F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 2.94Å; F237-L240 HydrophobicContact CB-CB 3.94Å; F237-L240 HydrophobicContact CB-CD1 3.96Å; F237-L240 HydrophobicContact CB-CG 4.34Å; F237-L240 HydrophobicContact CD1-CD1 4.16Å; F237-L240 HydrophobicContact CG-CD1 4.19Å; F237-L240 PolarHBondContact O-N 3.1Å; F237-C241 WeakPolarHBondContact O-CB 3.27Å; F237-C241 PolarHBondContact O-N 3.19Å; F237-L261 HydrophobicContact CZ-CD1 4.12Å; F237-L261 HydrophobicContact CZ-CD2 4.47Å
238P97Very high95.7Very high74 Ų7464.2 Ų64.248%0.48134%0.336SS..Hα-helixtrans-59.8-37.4-171.222.7-33.9000113.2D189 Q236 C241 V242D189-P238 WeakPolarHBondContact OD1-CD 3.35Å; D189-P238 WeakPolarHBondContact OD1-CG 3.05Å; Q236-P238 WeakPolarHBondContact O-CD 3.47Å; P238-C241 WeakPolarHBondContact O-CB 3.37Å; P238-C241 PolarHBondContact O-N 3.34Å; P238-V242 WeakPolarHBondContact O-CG2 3.47Å; P238-V242 PolarHBondContact O-N 3Å
239N97.2Very high95.4Very high39 Ų3963.9 Ų63.921%0.20933%0.334CS..Hα-helixtrans-67.2-46.3178.1-68.6-57.8000111.2Y156 A185 D189 F237 C241 V242 L243Y156-N239 HydrophobicContact CD1-CB 3.69Å; Y156-N239 VanDerWaalsContact CD1-CG 3.5Å; Y156-N239 VanDerWaalsContact CD1-OD1 3.3Å; Y156-N239 WeakPolarHBondContact CD1-OD1 3.34Å; Y156-N239 HydrophobicContact CE1-CB 3.49Å; Y156-N239 VanDerWaalsContact CE1-CB 3.49Å; A185-N239 HydrophobicContact CB-CB 4.15Å; D189-N239 WeakPolarHBondContact OD1-CB 3.46Å; D189-N239 PolarHBondContact OD1-N 3.03Å; D189-N239 VanDerWaalsContact OD1-N 3.12Å; D189-N239 PolarHBondContact OD1-ND2 2.95Å; D189-N239 WeakPolarHBondContact OD2-CB 3.36Å; D189-N239 PolarHBondContact OD2-N 3.17Å; D189-N239 VanDerWaalsContact OD2-N 3.11Å; F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 2.94Å; N239-C241 VanDerWaalsContact C-N 3.3Å; N239-C241 PolarHBondContact O-N 3.17Å; N239-V242 PolarHBondContact O-N 2.84Å; N239-L243 PolarHBondContact O-N 3.01Å
240L96.9Very high95.3Very high0 Ų070.7 Ų70.70%036%0.364CS..Hα-helixtrans-61.9-37.9173-75.4176.4000112.5S182 A185 Y186 D189 L229 L234 F237 V242 L243 Q244 M249 Y257S182-L240 WeakPolarHBondContact O-CD2 3.32Å; A185-L240 HydrophobicContact CB-CD2 3.8Å; A185-L240 HydrophobicContact CB-CG 4.21Å; Y186-L240 HydrophobicContact CD2-CD1 3.91Å; Y186-L240 HydrophobicContact CG-CD1 4.42Å; D189-L240 PolarHBondContact OD2-N 3Å; D189-L240 VanDerWaalsContact OD2-N 3.1Å; L229-L240 HydrophobicContact CD1-CD1 4.31Å; L234-L240 HydrophobicContact CD1-CB 4.15Å; L234-L240 HydrophobicContact CD2-CB 4.46Å; F237-L240 HydrophobicContact CB-CB 3.94Å; F237-L240 HydrophobicContact CB-CD1 3.96Å; F237-L240 HydrophobicContact CB-CG 4.34Å; F237-L240 HydrophobicContact CD1-CD1 4.16Å; F237-L240 HydrophobicContact CG-CD1 4.19Å; F237-L240 PolarHBondContact O-N 3.1Å; L240-V242 PolarHBondContact O-N 3.39Å; L240-L243 PolarHBondContact O-N 2.85Å; L240-Q244 VanDerWaalsContact O-CB 3.3Å; L240-Q244 WeakPolarHBondContact O-CB 3.09Å; L240-Q244 PolarHBondContact O-N 2.97Å; L240-M249 HydrophobicContact CB-SD 4.35Å; L240-M249 HydrophobicContact CD2-CE 4.15Å; L240-M249 HydrophobicContact CD2-SD 3.92Å; L240-Y257 HydrophobicContact CD1-CD2 4.14Å; L240-Y257 HydrophobicContact CD1-CE2 4.24Å; L240-Y257 HydrophobicContact CD2-CE2 4.12Å
241C96.8Very high95.2Very high40 Ų4073.8 Ų73.827%0.2737%0.373SS..Hα-helixtrans-62.6-42.5178.3-174.40000111.7L234 F237 P238 N239 K245L234-C241 HydrophobicContact CB-CB 3.78Å; F237-C241 WeakPolarHBondContact O-CB 3.27Å; F237-C241 PolarHBondContact O-N 3.19Å; P238-C241 WeakPolarHBondContact O-CB 3.37Å; P238-C241 PolarHBondContact O-N 3.34Å; N239-C241 VanDerWaalsContact C-N 3.3Å; N239-C241 PolarHBondContact O-N 3.17Å; C241-K245 WeakPolarHBondContact O-CG 3.49Å
242V96.1Very high95.2Very high78 Ų7871.7 Ų71.747%0.47337%0.373SS..Hα-helixtrans-65.6-44.1174.1172.30000110.7P238 N239 L240 Q244 K245P238-V242 WeakPolarHBondContact O-CG2 3.47Å; P238-V242 PolarHBondContact O-N 3Å; N239-V242 PolarHBondContact O-N 2.84Å; L240-V242 PolarHBondContact O-N 3.39Å; V242-Q244 PolarHBondContact O-N 3.5Å; V242-K245 WeakPolarHBondContact O-CB 3.42Å; V242-K245 PolarHBondContact O-N 3.16Å
243L95.8Very high95.2Very high10 Ų1068.9 Ų68.95%0.05236%0.364CS..Hα-helixtrans-61.9-44178.8-176.660.4000112.2E181 A185 N239 L240 K245 K246 V247E181-L243 HydrophobicContact CG-CD1 4.14Å; E181-L243 HydrophobicContact CG-CD2 4.07Å; E181-L243 WeakPolarHBondContact OE1-CD1 3.4Å; A185-L243 HydrophobicContact CB-CD2 4.17Å; N239-L243 PolarHBondContact O-N 3.01Å; L240-L243 PolarHBondContact O-N 2.85Å; L243-K245 PolarHBondContact O-N 2.96Å; L243-K245 VanDerWaalsContact O-N 3.13Å; L243-K246 WeakPolarHBondContact O-CA 3.05Å; L243-K246 WeakPolarHBondContact O-CB 3.07Å; L243-K246 PolarHBondContact O-N 2.67Å; L243-V247 PolarHBondContact O-N 2.71Å
244Q94.2Very high95.3Very high47 Ų4765 Ų6522%0.2235%0.347CS..Hα-helixtrans-57.2-28.2178.5177.265.348.600112.8L234 L240 V242 V247L234-Q244 HydrophobicContact CD1-CB 3.66Å; L234-Q244 HydrophobicContact CD1-CG 3.98Å; L240-Q244 VanDerWaalsContact O-CB 3.3Å; L240-Q244 WeakPolarHBondContact O-CB 3.09Å; L240-Q244 PolarHBondContact O-N 2.97Å; V242-Q244 PolarHBondContact O-N 3.5Å; Q244-V247 VanDerWaalsContact CA-O 3.31Å; Q244-V247 WeakPolarHBondContact CA-O 3.35Å
245K94.1Very high95.4Very high174 Ų17469.9 Ų69.976%0.75737%0.369SS*.Hα-helixtrans-75.9-26.7175-66174.5-176.41800113C241 V242 L243C241-K245 WeakPolarHBondContact O-CG 3.49Å; V242-K245 WeakPolarHBondContact O-CB 3.42Å; V242-K245 PolarHBondContact O-N 3.16Å; L243-K245 PolarHBondContact O-N 2.96Å; L243-K245 VanDerWaalsContact O-N 3.13Å
246K92.9Very high95.5Very high130 Ų13067.3 Ų67.357%0.56534%0.341SS*.Hα-helixtrans-87.3-43.2177.9-64.1-177177.7-176.30111.3E160 L243E160-K246 IonicContact OE1-NZ 3.66Å; E160-K246 PolarHBondContact OE1-NZ 2.91Å; E160-K246 VanDerWaalsContact OE1-NZ 3.1Å; L243-K246 WeakPolarHBondContact O-CA 3.05Å; L243-K246 WeakPolarHBondContact O-CB 3.07Å; L243-K246 PolarHBondContact O-N 2.67Å
247V90.3Very high95.6Very high92 Ų9264.6 Ų64.656%0.55833%0.329SS*.SBendtrans-142.4127.1-175.9-179.10000108.5L243 Q244 M249L243-V247 PolarHBondContact O-N 2.71Å; Q244-V247 VanDerWaalsContact CA-O 3.31Å; Q244-V247 WeakPolarHBondContact CA-O 3.35Å; V247-M249 PolarHBondContact O-N 3.15Å
248E90.4Very high95.6Very high146 Ų14665.1 Ų65.168%0.68233%0.332SS*.PPolyproline II helixtrans-63.2125.6176.9-178.4167.1-157.400110.9
249M91.5Very high95.7Very high7 Ų766.8 Ų66.83%0.03433%0.334CS..PPolyproline II helixtrans-66.4136.8176-68.6175.751.800110.6R232 L234 L240 V247 D253 V254 Y257R232-M249 PolarHBondContact NH1-O 3.04Å; R232-M249 PolarHBondContact NH2-O 2.9Å; L234-M249 HydrophobicContact CD1-SD 3.79Å; L240-M249 HydrophobicContact CB-SD 4.35Å; L240-M249 HydrophobicContact CD2-CE 4.15Å; L240-M249 HydrophobicContact CD2-SD 3.92Å; V247-M249 PolarHBondContact O-N 3.15Å; M249-D253 HydrophobicContact CE-CB 4.28Å; M249-V254 HydrophobicContact CB-CG2 4.44Å; M249-V254 HydrophobicContact CE-CG2 3.98Å; M249-Y257 HydrophobicContact CE-CD2 3.87Å; M249-Y257 HydrophobicContact CE-CE2 3.56Å
250K94.6Very high95.7Very high144 Ų14465.3 Ų65.363%0.62633%0.325SS*.PPolyproline II helixtrans-69.4149.1175.9-60.2178-177.8-179.90110.5D252 D253 V254K250-D252 PolarHBondContact O-N 3.26Å; K250-D253 WeakPolarHBondContact O-CB 3.47Å; K250-D253 PolarHBondContact O-N 2.86Å; K250-V254 PolarHBondContact O-N 3.33Å
251D95.9Very high95.8Very high115 Ų11565.3 Ų65.362%0.61533%0.325SS*.Hα-helixtrans-58.7-39175.7-68.7-31.7000111.6R232 D253 V254 E255R232-D251 IonicContact CZ-OD1 3.38Å; R232-D251 IonicContact NH2-OD1 2.73Å; R232-D251 PolarHBondContact NH2-OD1 2.59Å; D251-D253 PolarHBondContact O-N 3.2Å; D251-V254 PolarHBondContact O-N 3.42Å; D251-V254 VanDerWaalsContact O-N 3.15Å; D251-E255 WeakPolarHBondContact O-CB 3.5Å; D251-E255 PolarHBondContact O-N 2.89Å
252D96.3Very high95.9Very high110 Ų11065.9 Ų65.959%0.58833%0.326SS*.Hα-helixtrans-57.7-30.1173.8-66.21.3000113.5R98 K250 A256R98-D252 PolarHBondContact NH1-O 3.25Å; K250-D252 PolarHBondContact O-N 3.26Å; D252-A256 VanDerWaalsContact O-CB 3.25Å; D252-A256 WeakPolarHBondContact O-CB 3.4Å; D252-A256 PolarHBondContact O-N 3Å; D252-A256 VanDerWaalsContact O-N 3.12Å
253D97Very high96Very high14 Ų1464.7 Ų64.78%0.07532%0.316CS..Hα-helixtrans-74.9-48177.6-63.6-2.4000109.7R98 S182 M249 K250 D251 E255 A256 Y257R98-D253 IonicContact CZ-OD1 3.24Å; R98-D253 IonicContact NH1-OD1 2.57Å; R98-D253 PolarHBondContact NH1-OD1 3.26Å; R98-D253 VanDerWaalsContact NH2-CG 3.33Å; R98-D253 IonicContact NH2-OD1 2.8Å; R98-D253 PolarHBondContact NH2-OD1 3.04Å; R98-D253 IonicContact NH2-OD2 3.18Å; S182-D253 WeakPolarHBondContact CB-OD2 3.35Å; S182-D253 PolarHBondContact OG-OD2 3.08Å; M249-D253 HydrophobicContact CE-CB 4.28Å; K250-D253 WeakPolarHBondContact O-CB 3.47Å; K250-D253 PolarHBondContact O-N 2.86Å; D251-D253 PolarHBondContact O-N 3.2Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact O-N 2.88Å; D253-A256 PolarHBondContact O-N 2.93Å; D253-Y257 HydrophobicContact CB-CE2 4.03Å; D253-Y257 WeakPolarHBondContact O-CD1 3.4Å; D253-Y257 VanDerWaalsContact O-CD2 3.23Å; D253-Y257 WeakPolarHBondContact O-CD2 3.13Å; D253-Y257 PolarHBondContact O-N 3.19Å
254V97.6Very high96.1Very high14 Ų1464.2 Ų64.29%0.08531%0.313CS..Hα-helixtrans-57.6-46.8176.5177.60000110.5L229 M249 K250 D251 Y257 C258L229-V254 HydrophobicContact CD2-CG1 3.9Å; L229-V254 WeakPolarHBondContact CD2-O 3.24Å; M249-V254 HydrophobicContact CB-CG2 4.44Å; M249-V254 HydrophobicContact CE-CG2 3.98Å; K250-V254 PolarHBondContact O-N 3.33Å; D251-V254 PolarHBondContact O-N 3.42Å; D251-V254 VanDerWaalsContact O-N 3.15Å; V254-Y257 PolarHBondContact O-N 2.96Å; V254-C258 WeakPolarHBondContact O-CB 3.31Å; V254-C258 PolarHBondContact O-N 2.82Å; V254-C258 PolarHBondContact O-SG 3.47Å
255E97.9Very high96.3Very high111 Ų11164.6 Ų64.652%0.51932%0.315SS..Hα-helixtrans-61.7-48.1177.9-174.7177-17000111.3D251 D253 Y257 C258 Q259D251-E255 WeakPolarHBondContact O-CB 3.5Å; D251-E255 PolarHBondContact O-N 2.89Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact O-N 2.88Å; E255-Y257 VanDerWaalsContact C-N 3.27Å; E255-Y257 PolarHBondContact O-N 3.46Å; E255-C258 PolarHBondContact O-N 3.34Å; E255-Q259 HydrophobicContact CG-CG 4.33Å; E255-Q259 WeakPolarHBondContact O-CG 3.32Å; E255-Q259 PolarHBondContact O-N 2.95Å; E255-Q259 PolarHBondContact OE1-NE2 3.5Å
256A98.1Very high96.4Very high11 Ų1162.8 Ų62.89%0.09131%0.309CS..Hα-helixtrans-58.5-39.1179.500000112.4D252 D253 H260D252-A256 VanDerWaalsContact O-CB 3.25Å; D252-A256 WeakPolarHBondContact O-CB 3.4Å; D252-A256 PolarHBondContact O-N 3Å; D252-A256 VanDerWaalsContact O-N 3.12Å; D253-A256 PolarHBondContact O-N 2.93Å; A256-H260 WeakPolarHBondContact O-CB 3.46Å; A256-H260 PolarHBondContact O-N 3.47Å; A256-H260 VanDerWaalsContact O-N 3.09Å
257Y98.5Very high96.6Very high0 Ų057.1 Ų57.10%029%0.285CS..Hα-helixtrans-75.2-36.3179.1-54.9-21.4000112.1L99 S182 D183 Y186 L229 L240 M249 D253 V254 E255 H260 L261L99-Y257 HydrophobicContact CD2-CD1 4.24Å; L99-Y257 HydrophobicContact CD2-CE1 3.97Å; S182-Y257 VanDerWaalsContact CB-OH 3.23Å; S182-Y257 WeakPolarHBondContact CB-OH 3.46Å; S182-Y257 PolarHBondContact O-OH 3.48Å; S182-Y257 PolarHBondContact OG-OH 3.36Å; D183-Y257 WeakPolarHBondContact CA-OH 3.3Å; D183-Y257 PolarHBondContact N-OH 3.25Å; D183-Y257 VanDerWaalsContact OD1-CE1 3.29Å; D183-Y257 WeakPolarHBondContact OD1-CE1 3.39Å; D183-Y257 PolarHBondContact OD1-OH 3.49Å; Y186-Y257 AromaticContact CD1-CD1 3.69Å; Y186-Y257 HydrophobicContact CD1-CD1 3.69Å; Y186-Y257 HydrophobicContact CD1-CE1 4.04Å; Y186-Y257 HydrophobicContact CD1-CG 4.2Å; Y186-Y257 HydrophobicContact CD2-CD1 4.09Å; Y186-Y257 AromaticContact CD2-CD2 3.96Å; Y186-Y257 HydrophobicContact CD2-CD2 3.96Å; Y186-Y257 AromaticContact CD2-CG 3.73Å; Y186-Y257 HydrophobicContact CD2-CG 3.73Å; Y186-Y257 HydrophobicContact CE1-CD1 4.01Å; Y186-Y257 HydrophobicContact CE1-CG 4.43Å; Y186-Y257 HydrophobicContact CE2-CD1 4.38Å; Y186-Y257 AromaticContact CE2-CG 3.98Å; Y186-Y257 HydrophobicContact CE2-CG 3.98Å; Y186-Y257 AromaticContact CG-CD1 3.72Å; Y186-Y257 HydrophobicContact CG-CD1 3.72Å; Y186-Y257 HydrophobicContact CG-CD2 4.1Å; Y186-Y257 HydrophobicContact CG-CE1 4.02Å; Y186-Y257 HydrophobicContact CG-CE2 4.33Å; Y186-Y257 AromaticContact CG-CG 3.82Å; Y186-Y257 HydrophobicContact CG-CG 3.82Å; L229-Y257 HydrophobicContact CD1-CD2 4.32Å; L240-Y257 HydrophobicContact CD1-CD2 4.14Å; L240-Y257 HydrophobicContact CD1-CE2 4.24Å; L240-Y257 HydrophobicContact CD2-CE2 4.12Å; M249-Y257 HydrophobicContact CE-CD2 3.87Å; M249-Y257 HydrophobicContact CE-CE2 3.56Å; D253-Y257 HydrophobicContact CB-CE2 4.03Å; D253-Y257 WeakPolarHBondContact O-CD1 3.4Å; D253-Y257 VanDerWaalsContact O-CD2 3.23Å; D253-Y257 WeakPolarHBondContact O-CD2 3.13Å; D253-Y257 PolarHBondContact O-N 3.19Å; V254-Y257 PolarHBondContact O-N 2.96Å; E255-Y257 VanDerWaalsContact C-N 3.27Å; E255-Y257 PolarHBondContact O-N 3.46Å; Y257-H260 PolarHBondContact O-N 2.88Å; Y257-L261 VanDerWaalsContact O-CG 3.3Å; Y257-L261 WeakPolarHBondContact O-CG 3.45Å; Y257-L261 PolarHBondContact O-N 3.13Å
258C98.5Very high96.9Very high11 Ų1152.7 Ų52.77%0.07426%0.258CS..Hα-helixtrans-62.4-49173.6-71.80000111.4R226 L229 V254 E255 H260 L261 D262R226-C258 HydrophobicContact CG-CB 4.04Å; L229-C258 WeakPolarHBondContact CD2-SG 3.27Å; V254-C258 WeakPolarHBondContact O-CB 3.31Å; V254-C258 PolarHBondContact O-N 2.82Å; V254-C258 PolarHBondContact O-SG 3.47Å; E255-C258 PolarHBondContact O-N 3.34Å; C258-H260 VanDerWaalsContact C-N 3.26Å; C258-H260 PolarHBondContact O-N 2.83Å; C258-L261 PolarHBondContact O-N 3.42Å; C258-D262 PolarHBondContact O-N 2.98Å
259Q98.4Very high97.3Very high110 Ų11047.6 Ų47.651%0.51424%0.238SC..Hα-helixtrans-58.6-39.9176.4-70.6177.12.400111.5E255 D262 M263E255-Q259 HydrophobicContact CG-CG 4.33Å; E255-Q259 WeakPolarHBondContact O-CG 3.32Å; E255-Q259 PolarHBondContact O-N 2.95Å; E255-Q259 PolarHBondContact OE1-NE2 3.5Å; Q259-D262 PolarHBondContact O-N 3.27Å; Q259-M263 WeakPolarHBondContact O-CB 3.46Å; Q259-M263 PolarHBondContact O-N 2.91Å
260H98.6Very high97.5Very high8 Ų850.4 Ų50.44%0.03726%0.263CS..Hα-helixtrans-65.1-43.3177-176.4-130.9000112.5R94 L95 L99 Y186 L190 A256 Y257 C258 M263 L264R94-H260 PolarHBondContact O-NE2 3.12Å; R94-H260 VanDerWaalsContact O-NE2 3.09Å; L95-H260 WeakPolarHBondContact CD2-NE2 3.48Å; L99-H260 HydrophobicContact CD1-CB 3.65Å; Y186-H260 AromaticContact CE1-ND1 3.31Å; Y186-H260 VanDerWaalsContact CE1-ND1 3.31Å; Y186-H260 WeakPolarHBondContact CE1-ND1 3.47Å; Y186-H260 AromaticContact CZ-ND1 3.47Å; Y186-H260 PolarHBondContact OH-ND1 3.02Å; L190-H260 VanDerWaalsContact CD2-CE1 3.41Å; L190-H260 WeakPolarHBondContact CD2-CE1 3.31Å; A256-H260 WeakPolarHBondContact O-CB 3.46Å; A256-H260 PolarHBondContact O-N 3.47Å; A256-H260 VanDerWaalsContact O-N 3.09Å; Y257-H260 PolarHBondContact O-N 2.88Å; C258-H260 VanDerWaalsContact C-N 3.26Å; C258-H260 PolarHBondContact O-N 2.83Å; H260-M263 WeakPolarHBondContact CD2-CE 3.5Å; H260-M263 PolarHBondContact O-N 2.87Å; H260-L264 WeakPolarHBondContact O-CB 3.3Å; H260-L264 WeakPolarHBondContact O-CG 3.31Å; H260-L264 PolarHBondContact O-N 3.4Å
261L98.6Very high97.5Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-64.9-39.8176.6-70168.4000112.2L190 L222 F225 R226 L229 F237 Y257 C258 L264 H265L190-L261 HydrophobicContact CD1-CD2 4.23Å; L222-L261 HydrophobicContact CD2-CD2 4Å; F225-L261 HydrophobicContact CB-CD1 4.03Å; F225-L261 HydrophobicContact CB-CD2 4.4Å; R226-L261 HydrophobicContact CB-CB 3.92Å; R226-L261 HydrophobicContact CB-CD1 4.09Å; R226-L261 HydrophobicContact CG-CB 4.46Å; L229-L261 HydrophobicContact CD1-CD1 4.35Å; F237-L261 HydrophobicContact CZ-CD1 4.12Å; F237-L261 HydrophobicContact CZ-CD2 4.47Å; Y257-L261 VanDerWaalsContact O-CG 3.3Å; Y257-L261 WeakPolarHBondContact O-CG 3.45Å; Y257-L261 PolarHBondContact O-N 3.13Å; C258-L261 PolarHBondContact O-N 3.42Å; L261-L264 PolarHBondContact O-N 3.37Å; L261-H265 WeakPolarHBondContact O-CB 3.39Å; L261-H265 PolarHBondContact O-N 3.45Å
262D98.3Very high97.5Very high52 Ų5241 Ų4128%0.27822%0.215SC..Hα-helixtrans-65-40.5176.6-75.8-29.9000111.7R226 C258 Q259 H265 H266R226-D262 WeakPolarHBondContact CD-OD1 3.42Å; R226-D262 WeakPolarHBondContact CG-OD1 3.42Å; R226-D262 IonicContact CZ-OD2 3.88Å; R226-D262 IonicContact NE-OD1 3.5Å; R226-D262 PolarHBondContact NE-OD1 3.07Å; R226-D262 IonicContact NE-OD2 3.57Å; R226-D262 PolarHBondContact NE-OD2 2.91Å; R226-D262 IonicContact NH2-OD2 3.35Å; C258-D262 PolarHBondContact O-N 2.98Å; Q259-D262 PolarHBondContact O-N 3.27Å; D262-H265 PolarHBondContact O-N 2.78Å; D262-H266 PolarHBondContact O-N 3.22Å; D262-H266 VanDerWaalsContact O-N 3.12Å; D262-H266 PolarHBondContact O-ND1 3.4Å
263M97.8Very high97.4Very high53 Ų5342.7 Ų42.726%0.26122%0.219SC..Hα-helixtrans-65.6-44.7175.1179.2-74.9-5800111.5R94 Q259 H260 H265 H266 D267R94-M263 HydrophobicContact CB-CE 3.46Å; R94-M263 VanDerWaalsContact CB-CE 3.46Å; R94-M263 HydrophobicContact CB-SD 3.4Å; R94-M263 WeakPolarHBondContact CB-SD 3.42Å; R94-M263 VanDerWaalsContact CD-SD 3.5Å; R94-M263 HydrophobicContact CG-SD 4.11Å; R94-M263 WeakPolarHBondContact O-CE 3.5Å; Q259-M263 WeakPolarHBondContact O-CB 3.46Å; Q259-M263 PolarHBondContact O-N 2.91Å; H260-M263 WeakPolarHBondContact CD2-CE 3.5Å; H260-M263 PolarHBondContact O-N 2.87Å; M263-H265 VanDerWaalsContact C-N 3.33Å; M263-H265 PolarHBondContact O-N 2.94Å; M263-H266 PolarHBondContact O-N 2.91Å; M263-D267 WeakPolarHBondContact O-CB 3.42Å; M263-D267 PolarHBondContact O-N 3.47Å; M263-D267 HydrophobicContact SD-CB 4.43Å
264L98Very high97.2Very high0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-61.4-42.1175.9-77.8175.5000111.7A91 L190 F194 L222 H260 L261 D267 L268A91-L264 HydrophobicContact CB-CD2 4.49Å; A91-L264 WeakPolarHBondContact O-CD2 3.16Å; L190-L264 HydrophobicContact CD1-CD1 4.34Å; L190-L264 HydrophobicContact CD2-CD1 3.81Å; F194-L264 HydrophobicContact CE2-CD1 4.37Å; F194-L264 HydrophobicContact CZ-CD1 4.08Å; F194-L264 HydrophobicContact CZ-CD2 4.13Å; L222-L264 HydrophobicContact CD1-CB 4.23Å; H260-L264 WeakPolarHBondContact O-CB 3.3Å; H260-L264 WeakPolarHBondContact O-CG 3.31Å; H260-L264 PolarHBondContact O-N 3.4Å; L261-L264 PolarHBondContact O-N 3.37Å; L264-D267 PolarHBondContact O-N 3.4Å; L264-L268 HydrophobicContact CB-CD1 4.46Å; L264-L268 VanDerWaalsContact O-CB 3.27Å; L264-L268 WeakPolarHBondContact O-CB 3.42Å; L264-L268 WeakPolarHBondContact O-CD1 3.47Å; L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å
265H98.2Very high97Very high54 Ų5445.3 Ų45.325%0.2523%0.233CC..Hα-helixtrans-59.6-48.2177.5176.5-107.8000111.5V219 L222 L261 D262 M263 S269V219-H265 PolarHBondContact O-CD2 2.84Å; L222-H265 HydrophobicContact CB-CB 3.99Å; L222-H265 HydrophobicContact CD1-CB 4.2Å; L261-H265 WeakPolarHBondContact O-CB 3.39Å; L261-H265 PolarHBondContact O-N 3.45Å; D262-H265 PolarHBondContact O-N 2.78Å; M263-H265 VanDerWaalsContact C-N 3.33Å; M263-H265 PolarHBondContact O-N 2.94Å; H265-S269 WeakPolarHBondContact O-CB 3.3Å; H265-S269 PolarHBondContact O-N 3.1Å; H265-S269 PolarHBondContact O-OG 3.39Å
266H97.6Very high96.8Very high136 Ų13642.6 Ų42.663%0.6322%0.219SC*.Hα-helixtrans-62.9-47177.2-8283.6000112.2D262 M263 S269 A270D262-H266 PolarHBondContact O-N 3.22Å; D262-H266 VanDerWaalsContact O-N 3.12Å; D262-H266 PolarHBondContact O-ND1 3.4Å; M263-H266 PolarHBondContact O-N 2.91Å; H266-S269 PolarHBondContact O-N 2.95Å; H266-A270 WeakPolarHBondContact O-CB 3.43Å; H266-A270 PolarHBondContact O-N 3.48Å
267D96.9Very high96.6Very high11 Ų1145.1 Ų45.16%0.05925%0.246CC..Hα-helixtrans-66.4-43.9-176.7-165.949.6000111.6A91 R94 M263 L264 A270 R271A91-D267 WeakPolarHBondContact CA-OD2 3.36Å; R94-D267 VanDerWaalsContact CD-OD2 3.3Å; R94-D267 WeakPolarHBondContact CD-OD2 3.47Å; R94-D267 VanDerWaalsContact CZ-CG 3.5Å; R94-D267 IonicContact CZ-OD1 3.92Å; R94-D267 IonicContact CZ-OD2 3.77Å; R94-D267 IonicContact NE-OD1 2.88Å; R94-D267 PolarHBondContact NE-OD1 3.25Å; R94-D267 IonicContact NE-OD2 3.76Å; R94-D267 PolarHBondContact NE-OD2 2.97Å; R94-D267 IonicContact NH1-OD1 2.63Å; R94-D267 PolarHBondContact NH1-OD1 2.97Å; R94-D267 VanDerWaalsContact NH1-OD1 3.11Å; R94-D267 IonicContact NH2-OD1 3.19Å; R94-D267 PolarHBondContact NH2-OD1 3.41Å; M263-D267 WeakPolarHBondContact O-CB 3.42Å; M263-D267 PolarHBondContact O-N 3.47Å; M263-D267 HydrophobicContact SD-CB 4.43Å; L264-D267 PolarHBondContact O-N 3.4Å; D267-A270 PolarHBondContact O-N 3.13Å; D267-R271 VanDerWaalsContact O-CB 3.3Å; D267-R271 WeakPolarHBondContact O-CB 3.36Å; D267-R271 WeakPolarHBondContact O-CG 3.31Å; D267-R271 PolarHBondContact O-N 3.07Å; D267-R271 IonicContact OD1-CZ 3.07Å; D267-R271 IonicContact OD1-NE 2.73Å; D267-R271 PolarHBondContact OD1-NE 3.3Å; D267-R271 IonicContact OD1-NH2 3.39Å; D267-R271 PolarHBondContact OD1-NH2 3.11Å; D267-R271 VanDerWaalsContact OD1-NH2 3.07Å; D267-R271 IonicContact OD2-CZ 2.94Å; D267-R271 VanDerWaalsContact OD2-CZ 3.3Å; D267-R271 IonicContact OD2-NE 2.67Å; D267-R271 PolarHBondContact OD2-NE 2.74Å; D267-R271 IonicContact OD2-NH2 3.45Å; D267-R271 PolarHBondContact OD2-NH2 3.38Å
268L97Very high96.3Very high0 Ų046.7 Ų46.70%025%0.254CS..Hα-helixtrans-67.5-38.5176.6-71.4162.2000111.7A91 F194 F218 V219 L222 L264 A270 R271 Y272A91-L268 HydrophobicContact CB-CD2 3.43Å; A91-L268 VanDerWaalsContact CB-CD2 3.43Å; A91-L268 HydrophobicContact CB-CG 3.73Å; F194-L268 HydrophobicContact CE1-CD1 4.36Å; F218-L268 HydrophobicContact CD1-CD1 4.32Å; F218-L268 HydrophobicContact CE1-CD1 3.9Å; V219-L268 HydrophobicContact CG2-CB 3.74Å; V219-L268 HydrophobicContact CG2-CD1 4.43Å; L222-L268 HydrophobicContact CD1-CD1 3.59Å; L264-L268 HydrophobicContact CB-CD1 4.46Å; L264-L268 VanDerWaalsContact O-CB 3.27Å; L264-L268 WeakPolarHBondContact O-CB 3.42Å; L264-L268 WeakPolarHBondContact O-CD1 3.47Å; L264-L268 WeakPolarHBondContact O-CG 3.3Å; L264-L268 PolarHBondContact O-N 2.86Å; L268-A270 PolarHBondContact O-N 3Å; L268-R271 PolarHBondContact O-N 3.3Å; L268-Y272 HydrophobicContact CB-CD2 4.34Å; L268-Y272 HydrophobicContact CD2-CD2 4.13Å; L268-Y272 HydrophobicContact CD2-CE2 3.58Å; L268-Y272 WeakPolarHBondContact O-CB 3.46Å; L268-Y272 VanDerWaalsContact O-CD2 3.23Å; L268-Y272 WeakPolarHBondContact O-CD2 3.18Å; L268-Y272 PolarHBondContact O-N 3.35Å
269S97.2Very high95.9Very high38 Ų3853.4 Ų53.427%0.26628%0.284SS..Hα-helixtrans-60.2-46.8176.1-620000111.6H265 H266 Y272 E273H265-S269 WeakPolarHBondContact O-CB 3.3Å; H265-S269 PolarHBondContact O-N 3.1Å; H265-S269 PolarHBondContact O-OG 3.39Å; H266-S269 PolarHBondContact O-N 2.95Å; S269-Y272 PolarHBondContact O-N 3.32Å; S269-E273 PolarHBondContact O-N 3.15Å
270A96.3Very high95.6Very high67 Ų6749.5 Ų49.555%0.55427%0.268SS*.Hα-helixtrans-66.9-41.3176.800000112.1H266 D267 L268 Y272H266-A270 WeakPolarHBondContact O-CB 3.43Å; H266-A270 PolarHBondContact O-N 3.48Å; D267-A270 PolarHBondContact O-N 3.13Å; L268-A270 PolarHBondContact O-N 3Å; A270-Y272 VanDerWaalsContact C-N 3.27Å; A270-Y272 PolarHBondContact O-N 3Å
271R94.4Very high95.4Very high60 Ų6049.7 Ų49.723%0.22627%0.27CS..Hα-helixtrans-66.7-26.8-179.7-77.2177.3-166-64.1-12.2113.6R87 D267 L268R87-R271 HydrophobicContact CB-CB 4.43Å; R87-R271 WeakPolarHBondContact CD-O 3.49Å; R87-R271 PolarHBondContact NH1-O 3.42Å; D267-R271 VanDerWaalsContact O-CB 3.3Å; D267-R271 WeakPolarHBondContact O-CB 3.36Å; D267-R271 WeakPolarHBondContact O-CG 3.31Å; D267-R271 PolarHBondContact O-N 3.07Å; D267-R271 IonicContact OD1-CZ 3.07Å; D267-R271 IonicContact OD1-NE 2.73Å; D267-R271 PolarHBondContact OD1-NE 3.3Å; D267-R271 IonicContact OD1-NH2 3.39Å; D267-R271 PolarHBondContact OD1-NH2 3.11Å; D267-R271 VanDerWaalsContact OD1-NH2 3.07Å; D267-R271 IonicContact OD2-CZ 2.94Å; D267-R271 VanDerWaalsContact OD2-CZ 3.3Å; D267-R271 IonicContact OD2-NE 2.67Å; D267-R271 PolarHBondContact OD2-NE 2.74Å; D267-R271 IonicContact OD2-NH2 3.45Å; D267-R271 PolarHBondContact OD2-NH2 3.38Å; L268-R271 PolarHBondContact O-N 3.3Å
272Y95.5Very high95.1Very high0 Ų052.9 Ų52.90%029%0.292CS..THydrogen-bonded Turntrans-110.715.2-176.7-68.9-61.1000113.5V84 R87 E88 V215 V219 L268 S269 A270 D274 I275 F276V84-Y272 HydrophobicContact CB-CE1 3.8Å; V84-Y272 HydrophobicContact CG1-CD1 4.49Å; V84-Y272 HydrophobicContact CG1-CE1 3.88Å; V84-Y272 PolarHBondContact O-OH 3.07Å; R87-Y272 HydrophobicContact CB-CE1 4.01Å; E88-Y272 PolarHBondContact N-OH 2.87Å; V215-Y272 HydrophobicContact CG1-CD1 3.94Å; V215-Y272 HydrophobicContact CG1-CD2 3.29Å; V215-Y272 HydrophobicContact CG1-CE1 4.05Å; V215-Y272 HydrophobicContact CG1-CE2 3.39Å; V215-Y272 HydrophobicContact CG1-CG 3.56Å; V215-Y272 HydrophobicContact CG2-CE1 4.35Å; V219-Y272 HydrophobicContact CG2-CD2 4.49Å; L268-Y272 HydrophobicContact CB-CD2 4.34Å; L268-Y272 HydrophobicContact CD2-CD2 4.13Å; L268-Y272 HydrophobicContact CD2-CE2 3.58Å; L268-Y272 WeakPolarHBondContact O-CB 3.46Å; L268-Y272 VanDerWaalsContact O-CD2 3.23Å; L268-Y272 WeakPolarHBondContact O-CD2 3.18Å; L268-Y272 PolarHBondContact O-N 3.35Å; S269-Y272 PolarHBondContact O-N 3.32Å; A270-Y272 VanDerWaalsContact C-N 3.27Å; A270-Y272 PolarHBondContact O-N 3Å; Y272-D274 VanDerWaalsContact C-N 3.26Å; Y272-D274 PolarHBondContact O-N 2.86Å; Y272-I275 HydrophobicContact CD1-CB 4.44Å; Y272-I275 HydrophobicContact CD1-CG1 4.04Å; Y272-I275 PolarHBondContact O-N 3.18Å; Y272-F276 HydrophobicContact CG-CZ 4.4Å; Y272-F276 VanDerWaalsContact O-CD2 3.3Å; Y272-F276 WeakPolarHBondContact O-CD2 3.29Å; Y272-F276 VanDerWaalsContact O-CG 3.3Å; Y272-F276 WeakPolarHBondContact O-CG 3.31Å; Y272-F276 PolarHBondContact O-N 2.86Å
273E95Very high94.9Very high146 Ų14650.4 Ų50.468%0.68228%0.279SS*.Hα-helixtrans-53.2-42.9179.7-176.6178.7-162.400112.4S269 F276 G277S269-E273 PolarHBondContact O-N 3.15Å; E273-F276 PolarHBondContact O-N 3.42Å; E273-G277 WeakPolarHBondContact O-CA 3.41Å; E273-G277 PolarHBondContact O-N 3.38Å
274D92.3Very high94.7Very high77 Ų7747.9 Ų47.941%0.41227%0.267SS..Hα-helixtrans-63.8-39174.962.1-33.9000113.1R87 Y272 M278R87-D274 IonicContact CZ-OD1 3.51Å; R87-D274 IonicContact CZ-OD2 3.3Å; R87-D274 VanDerWaalsContact NH1-CG 3.26Å; R87-D274 IonicContact NH1-OD1 3.3Å; R87-D274 PolarHBondContact NH1-OD1 3.39Å; R87-D274 IonicContact NH1-OD2 2.74Å; R87-D274 PolarHBondContact NH1-OD2 3.1Å; R87-D274 VanDerWaalsContact NH1-OD2 3.1Å; R87-D274 IonicContact NH2-OD1 3.07Å; R87-D274 IonicContact NH2-OD2 2.97Å; R87-D274 PolarHBondContact NH2-OD2 2.78Å; Y272-D274 VanDerWaalsContact C-N 3.26Å; Y272-D274 PolarHBondContact O-N 2.86Å; D274-M278 WeakPolarHBondContact O-CB 3.49Å; D274-M278 PolarHBondContact O-N 3.37Å
275I94.2Very high94.3Very high7 Ų751.3 Ų51.34%0.03628%0.284CS..Hα-helixtrans-70.1-37.9176.7-61.3-60.6000110.6V84 R212 Y272V84-I275 HydrophobicContact CG1-CD1 4.28Å; V84-I275 HydrophobicContact CG1-CG1 4.28Å; R212-I275 HydrophobicContact CB-CG2 3.89Å; R212-I275 VanDerWaalsContact CD-O 3.26Å; R212-I275 WeakPolarHBondContact CD-O 3.33Å; R212-I275 HydrophobicContact CG-CG2 4.14Å; R212-I275 WeakPolarHBondContact CG-O 3.46Å; R212-I275 PolarHBondContact NE-O 3.28Å; Y272-I275 HydrophobicContact CD1-CB 4.44Å; Y272-I275 HydrophobicContact CD1-CG1 4.04Å; Y272-I275 PolarHBondContact O-N 3.18Å
276F94.1Very high94Very high54 Ų5451.9 Ų51.924%0.23729%0.289CS..Hα-helixtrans-74.9-39.5178.8-60.2-30.8000112.4R212 V215 V219 Y272 E273 M278R212-F276 PolarHBondContact NE-O 3.24Å; R212-F276 PolarHBondContact NH2-O 2.99Å; V215-F276 HydrophobicContact CB-CE1 4.45Å; V215-F276 HydrophobicContact CG1-CE1 3.95Å; V215-F276 HydrophobicContact CG1-CZ 3.9Å; V219-F276 HydrophobicContact CB-CZ 4.15Å; V219-F276 HydrophobicContact CG1-CE2 4.44Å; V219-F276 HydrophobicContact CG1-CZ 4.41Å; V219-F276 HydrophobicContact CG2-CZ 3.97Å; Y272-F276 HydrophobicContact CG-CZ 4.4Å; Y272-F276 VanDerWaalsContact O-CD2 3.3Å; Y272-F276 WeakPolarHBondContact O-CD2 3.29Å; Y272-F276 VanDerWaalsContact O-CG 3.3Å; Y272-F276 WeakPolarHBondContact O-CG 3.31Å; Y272-F276 PolarHBondContact O-N 2.86Å; E273-F276 PolarHBondContact O-N 3.42Å; F276-M278 VanDerWaalsContact C-N 3.28Å
277G92.8Very high93.5Very high64 Ų6446 Ų4666%0.6626%0.263SS*.Hα-helixtrans-76.6-10.6176.300000114.1E273 E279E273-G277 WeakPolarHBondContact O-CA 3.41Å; E273-G277 PolarHBondContact O-N 3.38Å; G277-E279 PolarHBondContact O-N 2.84Å; G277-E279 VanDerWaalsContact O-N 3.16Å
278M91.8Very high92.9Very high32 Ų3249.7 Ų49.716%0.15829%0.289CS..  trans-59.2119.3171.7-175.8-176.866.600110.2L208 R212 D274 F276 V280 L340L208-M278 HydrophobicContact CB-CE 3.7Å; L208-M278 HydrophobicContact CB-SD 3.71Å; L208-M278 HydrophobicContact CD1-SD 3.72Å; L208-M278 HydrophobicContact CG-SD 4.31Å; R212-M278 HydrophobicContact CB-CE 4.32Å; R212-M278 VanDerWaalsContact CZ-O 3.32Å; D274-M278 WeakPolarHBondContact O-CB 3.49Å; D274-M278 PolarHBondContact O-N 3.37Å; F276-M278 VanDerWaalsContact C-N 3.28Å; M278-V280 HydrophobicContact CE-CG2 3.77Å; M278-L340 HydrophobicContact CE-CD2 4.09Å; M278-L340 HydrophobicContact CG-CD2 4.17Å; M278-L340 HydrophobicContact SD-CD2 3.53Å; M278-L340 VanDerWaalsContact SD-CD2 3.53Å
279E89.9Confident92.5Very high152 Ų15251.1 Ų51.171%0.7130%0.299SS*.  trans-72.3129.2173.7-165.6161.7-153.100109.7G277G277-E279 PolarHBondContact O-N 2.84Å; G277-E279 VanDerWaalsContact O-N 3.16Å
280V92.9Very high92Very high29 Ų2953.2 Ų53.218%0.17632%0.319CS..  trans-120.998.5172.1-179.30000104.6I209 M278 S282 V284 I285 L340I209-V280 HydrophobicContact CD1-CG1 4.05Å; I209-V280 HydrophobicContact CG1-CG1 4.04Å; I209-V280 HydrophobicContact CG1-CG2 4.24Å; M278-V280 HydrophobicContact CE-CG2 3.77Å; V280-S282 PolarHBondContact O-N 2.9Å; V280-V284 HydrophobicContact CG1-CB 4.49Å; V280-I285 HydrophobicContact CG1-CG1 4.4Å; V280-L340 HydrophobicContact CG1-CD1 4.42Å
281P93.9Very high91.4Very high12 Ų1250.7 Ų50.78%0.07830%0.298CS..  trans-54.8136.6179.4-23.631.9000109.7W283 V284 I336P281-W283 HydrophobicContact CB-CD2 4.09Å; P281-W283 VanDerWaalsContact CB-CE2 3.49Å; P281-W283 HydrophobicContact CB-CG 4.15Å; P281-W283 HydrophobicContact CB-CZ2 3.97Å; P281-W283 HydrophobicContact CG-CZ2 4.08Å; P281-W283 PolarHBondContact O-N 3.46Å; P281-V284 HydrophobicContact CB-CG2 4.12Å; P281-V284 HydrophobicContact CG-CG2 4.28Å; P281-V284 VanDerWaalsContact O-CB 3.32Å; P281-V284 WeakPolarHBondContact O-CB 3.34Å; P281-V284 WeakPolarHBondContact O-CG2 3.41Å; P281-V284 PolarHBondContact O-N 3.27Å; P281-I336 HydrophobicContact CG-CG2 4.32Å
282S92.8Very high91Very high66 Ų6651.1 Ų51.146%0.46230%0.303SS..Hα-helixtrans-57.1-35.9-175.345.70000111.6V280 V284 I285 D286 S289V280-S282 PolarHBondContact O-N 2.9Å; S282-V284 PolarHBondContact O-N 2.85Å; S282-V284 VanDerWaalsContact O-N 3.14Å; S282-I285 PolarHBondContact O-N 3.44Å; S282-D286 PolarHBondContact O-N 3.3Å; S282-S289 VanDerWaalsContact OG-CB 3.28Å; S282-S289 WeakPolarHBondContact OG-CB 3.33Å
283W93.2Very high90.6Very high1 Ų157.4 Ų57.40%0.00434%0.336CS..Hα-helixtrans-61.2-20.2177.561.4-103.8000114.3P281 I285 D286 P287 A291 E292 L295 L299 W321 L333 I336 V337P281-W283 HydrophobicContact CB-CD2 4.09Å; P281-W283 VanDerWaalsContact CB-CE2 3.49Å; P281-W283 HydrophobicContact CB-CG 4.15Å; P281-W283 HydrophobicContact CB-CZ2 3.97Å; P281-W283 HydrophobicContact CG-CZ2 4.08Å; P281-W283 PolarHBondContact O-N 3.46Å; W283-I285 VanDerWaalsContact C-N 3.35Å; W283-D286 VanDerWaalsContact CA-O 3.26Å; W283-D286 WeakPolarHBondContact CA-O 3.3Å; W283-D286 CarbonylContact O-C 3.39Å; W283-P287 VanDerWaalsContact O-CA 3.31Å; W283-P287 WeakPolarHBondContact O-CA 3.42Å; W283-A291 HydrophobicContact CG-CB 4.35Å; W283-E292 PolarHBondContact NE1-OE2 3.41Å; W283-L295 HydrophobicContact CZ2-CD1 3.83Å; W283-L299 HydrophobicContact CB-CD1 4.31Å; W283-L299 HydrophobicContact CB-CD2 3.84Å; W283-L299 HydrophobicContact CG-CD2 4.09Å; W283-W321 AromaticContact CE3-CH2 3.74Å; W283-W321 HydrophobicContact CE3-CH2 3.74Å; W283-W321 AromaticContact CE3-CZ2 3.76Å; W283-W321 HydrophobicContact CE3-CZ2 3.76Å; W283-W321 AromaticContact CZ3-CH2 3.66Å; W283-W321 HydrophobicContact CZ3-CH2 3.66Å; W283-W321 AromaticContact CZ3-CZ2 3.89Å; W283-W321 HydrophobicContact CZ3-CZ2 3.89Å; W283-W321 HydrophobicContact CZ3-CZ3 4.32Å; W283-W321 WeakPolarHBondContact O-CZ2 3.33Å; W283-L333 HydrophobicContact CD2-CD2 4.21Å; W283-L333 HydrophobicContact CE3-CD2 4.02Å; W283-L333 HydrophobicContact CH2-CB 4.08Å; W283-L333 HydrophobicContact CH2-CD2 3.66Å; W283-L333 HydrophobicContact CH2-CG 4.49Å; W283-L333 HydrophobicContact CZ2-CD2 3.85Å; W283-L333 HydrophobicContact CZ3-CB 3.98Å; W283-L333 HydrophobicContact CZ3-CD2 3.74Å; W283-L333 HydrophobicContact CZ3-CG 4.39Å; W283-I336 HydrophobicContact CH2-CB 4.11Å; W283-I336 HydrophobicContact CH2-CD1 4.5Å; W283-I336 HydrophobicContact CH2-CG2 4.24Å; W283-I336 HydrophobicContact CZ2-CB 4.43Å; W283-I336 HydrophobicContact CZ2-CD1 4.09Å; W283-I336 HydrophobicContact CZ2-CG2 4.32Å; W283-V337 HydrophobicContact CH2-CG2 3.88Å; W283-V337 HydrophobicContact CZ3-CG2 3.49Å; W283-V337 VanDerWaalsContact CZ3-CG2 3.49Å
284V93.6Very high90.4Very high0 Ų058.2 Ų58.20%034%0.34CS..Hα-helixtrans-68-36.6173.8179.90000111.5I209 V280 P281 S282 W321 V337 L340I209-V284 HydrophobicContact CD1-CG1 3.82Å; V280-V284 HydrophobicContact CG1-CB 4.49Å; P281-V284 HydrophobicContact CB-CG2 4.12Å; P281-V284 HydrophobicContact CG-CG2 4.28Å; P281-V284 VanDerWaalsContact O-CB 3.32Å; P281-V284 WeakPolarHBondContact O-CB 3.34Å; P281-V284 WeakPolarHBondContact O-CG2 3.41Å; P281-V284 PolarHBondContact O-N 3.27Å; S282-V284 PolarHBondContact O-N 2.85Å; S282-V284 VanDerWaalsContact O-N 3.14Å; V284-W321 PolarHBondContact O-NE1 3.26Å; V284-V337 HydrophobicContact CG1-CG2 4.25Å; V284-V337 HydrophobicContact CG2-CG2 3.97Å; V284-L340 HydrophobicContact CG1-CD1 4.34Å; V284-L340 HydrophobicContact CG2-CD1 4.24Å
285I91.3Very high90.4Very high72 Ų7255.4 Ų55.437%0.36933%0.325SS..Hα-helixtrans-91.4-35.9179.4-60.9-59000111.1I209 V280 S282 W283 F312 Y317I209-I285 HydrophobicContact CD1-CD1 4.23Å; I209-I285 HydrophobicContact CG2-CD1 3.84Å; V280-I285 HydrophobicContact CG1-CG1 4.4Å; S282-I285 PolarHBondContact O-N 3.44Å; W283-I285 VanDerWaalsContact C-N 3.35Å; I285-F312 WeakPolarHBondContact O-CE2 3.43Å; I285-F312 WeakPolarHBondContact O-CZ 3.44Å; I285-Y317 HydrophobicContact CD1-CD1 4.16Å; I285-Y317 HydrophobicContact CD1-CD2 3.95Å; I285-Y317 HydrophobicContact CD1-CE1 4.12Å; I285-Y317 HydrophobicContact CD1-CE2 3.88Å; I285-Y317 HydrophobicContact CD1-CG 4.09Å
286D90.5Very high90.3Very high65 Ų6558.8 Ų58.835%0.34834%0.34SS..  trans-13693.1180174.910.9000109.7S282 W283 S288 S289S282-D286 PolarHBondContact O-N 3.3Å; W283-D286 VanDerWaalsContact CA-O 3.26Å; W283-D286 WeakPolarHBondContact CA-O 3.3Å; W283-D286 CarbonylContact O-C 3.39Å; D286-S288 PolarHBondContact O-N 3.07Å; D286-S288 WeakPolarHBondContact OD1-CB 3.2Å; D286-S288 PolarHBondContact OD1-N 2.83Å; D286-S288 VanDerWaalsContact OD1-N 3.1Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; D286-S288 PolarHBondContact OD2-OG 3.38Å; D286-S288 VanDerWaalsContact OD2-OG 3.09Å; D286-S289 VanDerWaalsContact O-CB 3.3Å; D286-S289 WeakPolarHBondContact O-CB 3.35Å; D286-S289 PolarHBondContact O-N 3.26Å; D286-S289 PolarHBondContact O-OG 3.09Å
287P86.6Confident90.3Very high14 Ų1464 Ų649%0.09137%0.365CS..THydrogen-bonded Turntrans-57-8.9-178.6-26.234.7000115.3W283 S289 L302 Q303 F312 F320 W321W283-P287 VanDerWaalsContact O-CA 3.31Å; W283-P287 WeakPolarHBondContact O-CA 3.42Å; P287-S289 VanDerWaalsContact C-N 3.3Å; P287-L302 HydrophobicContact CB-CD2 4.12Å; P287-Q303 VanDerWaalsContact O-CG 3.24Å; P287-Q303 WeakPolarHBondContact O-CG 3.47Å; P287-Q303 PolarHBondContact O-NE2 3.19Å; P287-F312 VanDerWaalsContact CD-CZ 3.44Å; P287-F312 HydrophobicContact CG-CD2 3.91Å; P287-F312 HydrophobicContact CG-CE2 3.97Å; P287-F312 HydrophobicContact CG-CG 4.29Å; P287-F312 HydrophobicContact CG-CZ 4.43Å; P287-F320 HydrophobicContact CG-CD1 4.31Å; P287-F320 HydrophobicContact CG-CE1 3.77Å; P287-F320 HydrophobicContact CG-CZ 4.23Å; P287-W321 HydrophobicContact CG-CZ2 4.16Å
288S85.6Confident90.3Very high87 Ų8763.2 Ų63.261%0.60835%0.345SS*.THydrogen-bonded Turntrans-79.5-10.7172.4750000114.2D286 Q303D286-S288 PolarHBondContact O-N 3.07Å; D286-S288 WeakPolarHBondContact OD1-CB 3.2Å; D286-S288 PolarHBondContact OD1-N 2.83Å; D286-S288 VanDerWaalsContact OD1-N 3.1Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; D286-S288 PolarHBondContact OD2-OG 3.38Å; D286-S288 VanDerWaalsContact OD2-OG 3.09Å; S288-Q303 PolarHBondContact O-NE2 2.86Å
289S89.3Confident90.4Very high30 Ų3061.9 Ų61.921%0.2134%0.338CS..SBendtrans-71.1165176.6-67.90000112.7S282 D286 P287 L299 Q303S282-S289 VanDerWaalsContact OG-CB 3.28Å; S282-S289 WeakPolarHBondContact OG-CB 3.33Å; D286-S289 VanDerWaalsContact O-CB 3.3Å; D286-S289 WeakPolarHBondContact O-CB 3.35Å; D286-S289 PolarHBondContact O-N 3.26Å; D286-S289 PolarHBondContact O-OG 3.09Å; P287-S289 VanDerWaalsContact C-N 3.3Å; S289-L299 VanDerWaalsContact O-CD2 3.29Å; S289-L299 WeakPolarHBondContact O-CD2 3.4Å; S289-Q303 PolarHBondContact O-NE2 3.36Å; S289-Q303 VanDerWaalsContact O-NE2 3.1Å
290A85.8Confident90.5Very high83 Ų8360.4 Ų60.469%0.68633%0.333SS*.  trans-75.8151175.400000112.6
291A84Confident90.5Very high14 Ų1464.8 Ų64.812%0.11635%0.351CS..  trans-112.4166172.700000113.2W283 L295 Q296 L299W283-A291 HydrophobicContact CG-CB 4.35Å; A291-L295 HydrophobicContact CB-CB 4.09Å; A291-Q296 PolarHBondContact O-NE2 3.33Å; A291-L299 HydrophobicContact CB-CB 4.27Å; A291-L299 HydrophobicContact CB-CD2 3.39Å; A291-L299 HydrophobicContact CB-CG 4.45Å
292E86.3Confident90.5Very high68 Ų6864.4 Ų64.432%0.31835%0.348SS..  trans-56149.5166.3-56.780.5-177.500110.9W283 E294 L295 Q296W283-E292 PolarHBondContact NE1-OE2 3.41Å; E292-E294 PolarHBondContact O-N 2.96Å; E292-E294 VanDerWaalsContact O-N 3.1Å; E292-L295 PolarHBondContact O-N 3.38Å; E292-Q296 WeakPolarHBondContact O-CG 3.46Å; E292-Q296 PolarHBondContact O-N 3.22Å
293L86.7Confident90.4Very high133 Ų13364.1 Ų64.170%0.69634%0.34SS*.G310 helixtrans-51.1-41.5-169.9-168.679000112.6L295 Q296L293-L295 PolarHBondContact O-N 2.83Å; L293-Q296 PolarHBondContact O-N 3.32Å
294E90Very high90.3Very high163 Ų16367.5 Ų67.576%0.76237%0.368SS*.G310 helixtrans-70-15.3-176.1-57.982.8-179.500113.9E292E292-E294 PolarHBondContact O-N 2.96Å; E292-E294 VanDerWaalsContact O-N 3.1Å
295L92.7Very high90.2Very high18 Ų1870.1 Ų70.19%0.09438%0.382CS..G310 helixtrans-114.2-0-175.8-60.2173.9000112.8W283 A291 E292 L293 E297 E298 L299 L333 I336W283-L295 HydrophobicContact CZ2-CD1 3.83Å; A291-L295 HydrophobicContact CB-CB 4.09Å; E292-L295 PolarHBondContact O-N 3.38Å; L293-L295 PolarHBondContact O-N 2.83Å; L295-E297 PolarHBondContact O-N 2.73Å; L295-E298 PolarHBondContact O-N 3.15Å; L295-L299 WeakPolarHBondContact O-CB 3.22Å; L295-L299 PolarHBondContact O-N 2.94Å; L295-L333 HydrophobicContact CB-CD2 3.83Å; L295-L333 HydrophobicContact CD1-CD2 4.11Å; L295-L333 HydrophobicContact CD2-CD2 4.35Å; L295-L333 HydrophobicContact CG-CD2 4.32Å; L295-I336 HydrophobicContact CD1-CD1 3.43Å; L295-I336 VanDerWaalsContact CD1-CD1 3.43Å
296Q91.6Very high90.1Very high78 Ų7872.4 Ų72.436%0.36439%0.391SS..Hα-helixtrans-62.8-40.5-174.1-71.2-173.9-16.400112.5A291 E292 L293 L299 M300A291-Q296 PolarHBondContact O-NE2 3.33Å; E292-Q296 WeakPolarHBondContact O-CG 3.46Å; E292-Q296 PolarHBondContact O-N 3.22Å; L293-Q296 PolarHBondContact O-N 3.32Å; Q296-L299 PolarHBondContact O-N 3.45Å; Q296-M300 WeakPolarHBondContact O-CB 3.21Å; Q296-M300 WeakPolarHBondContact O-CG 3.25Å; Q296-M300 PolarHBondContact O-N 3.3Å
297E93.9Very high90.1Very high162 Ų16275.3 Ų75.376%0.75740%0.403SS*.Hα-helixtrans-64-52.9179.4-65.4-175.5173.800111.3L295 L299 M300 E301L295-E297 PolarHBondContact O-N 2.73Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.85Å; E297-M300 PolarHBondContact O-N 3.15Å; E297-E301 PolarHBondContact O-N 3.22Å
298E94.4Very high90.2Very high49 Ų4975.4 Ų75.423%0.22940%0.402CS..Hα-helixtrans-57.2-41.1176.1-74.8-168.8-174.500111.4L295 E301 L302 Y330 L331 G332 L333L295-E298 PolarHBondContact O-N 3.15Å; E298-E301 PolarHBondContact O-N 3.43Å; E298-L302 WeakPolarHBondContact O-CB 3.25Å; E298-L302 PolarHBondContact O-N 3.27Å; E298-Y330 HydrophobicContact CB-CD1 4.3Å; E298-Y330 WeakPolarHBondContact O-CD1 3.32Å; E298-Y330 WeakPolarHBondContact OE2-CA 3.49Å; E298-L331 PolarHBondContact OE1-N 3.22Å; E298-L331 PolarHBondContact OE2-N 3.1Å; E298-G332 VanDerWaalsContact CD-N 3.31Å; E298-G332 PolarHBondContact OE1-N 2.84Å; E298-G332 VanDerWaalsContact OE2-CA 3.27Å; E298-G332 WeakPolarHBondContact OE2-CA 3.24Å; E298-G332 PolarHBondContact OE2-N 2.74Å; E298-L333 HydrophobicContact CB-CD1 4.11Å; E298-L333 HydrophobicContact CB-CG 4.04Å; E298-L333 PolarHBondContact OE2-N 2.81Å
299L92.6Very high90.2Very high4 Ų475 Ų752%0.02139%0.39CS..Hα-helixtrans-70.1-37.7179.8-171.761.6000112.3W283 S289 A291 L295 Q296 E297 E301 L302 Q303 L333W283-L299 HydrophobicContact CB-CD1 4.31Å; W283-L299 HydrophobicContact CB-CD2 3.84Å; W283-L299 HydrophobicContact CG-CD2 4.09Å; S289-L299 VanDerWaalsContact O-CD2 3.29Å; S289-L299 WeakPolarHBondContact O-CD2 3.4Å; A291-L299 HydrophobicContact CB-CB 4.27Å; A291-L299 HydrophobicContact CB-CD2 3.39Å; A291-L299 HydrophobicContact CB-CG 4.45Å; L295-L299 WeakPolarHBondContact O-CB 3.22Å; L295-L299 PolarHBondContact O-N 2.94Å; Q296-L299 PolarHBondContact O-N 3.45Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.85Å; L299-E301 VanDerWaalsContact C-N 3.34Å; L299-L302 HydrophobicContact CD1-CB 4.46Å; L299-L302 HydrophobicContact CD1-CD2 3.8Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; L299-L302 PolarHBondContact O-N 3.03Å; L299-Q303 HydrophobicContact CD1-CG 4.32Å; L299-Q303 HydrophobicContact CG-CG 4.24Å; L299-Q303 VanDerWaalsContact O-CB 3.26Å; L299-Q303 WeakPolarHBondContact O-CB 3.17Å; L299-Q303 WeakPolarHBondContact O-CG 3.23Å; L299-Q303 PolarHBondContact O-N 3.22Å; L299-L333 HydrophobicContact CB-CD1 4.22Å; L299-L333 HydrophobicContact CB-CD2 4.37Å; L299-L333 HydrophobicContact CD1-CD1 4.01Å
300M92.2Very high90.2Very high121 Ų12178.1 Ų78.160%0.59641%0.407SS*.Hα-helixtrans-62.9-41.8175.3-78-178.1-178.500111.4Q296 E297 Q303 A304Q296-M300 WeakPolarHBondContact O-CB 3.21Å; Q296-M300 WeakPolarHBondContact O-CG 3.25Å; Q296-M300 PolarHBondContact O-N 3.3Å; E297-M300 PolarHBondContact O-N 3.15Å; M300-Q303 CarbonylContact O-C 3.28Å; M300-Q303 PolarHBondContact O-N 2.96Å; M300-A304 WeakPolarHBondContact O-CB 3.45Å; M300-A304 PolarHBondContact O-N 2.97Å
301E93.9Very high90.3Very high121 Ų12177.3 Ų77.357%0.56539%0.388SS*.Hα-helixtrans-65.3-41.4175.1-70-178.4176.900112E297 E298 L299 Q303 A304 N305 Y330E297-E301 PolarHBondContact O-N 3.22Å; E298-E301 PolarHBondContact O-N 3.43Å; L299-E301 VanDerWaalsContact C-N 3.34Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; E301-A304 PolarHBondContact O-N 3.38Å; E301-N305 PolarHBondContact O-N 2.91Å; E301-Y330 HydrophobicContact CB-CE1 3.86Å
302L93Very high90.5Very high4 Ų478.5 Ų78.52%0.02139%0.391CS..Hα-helixtrans-60.1-45.2173.2-172.981.1000111.1P287 E298 L299 A304 N305 L308 F320 W321 I326 Y330 L333P287-L302 HydrophobicContact CB-CD2 4.12Å; E298-L302 WeakPolarHBondContact O-CB 3.25Å; E298-L302 PolarHBondContact O-N 3.27Å; L299-L302 HydrophobicContact CD1-CB 4.46Å; L299-L302 HydrophobicContact CD1-CD2 3.8Å; L299-L302 WeakPolarHBondContact O-CB 3.44Å; L299-L302 PolarHBondContact O-N 3.03Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.99Å; L302-N305 WeakPolarHBondContact O-CB 3.31Å; L302-N305 PolarHBondContact O-N 3.34Å; L302-N305 VanDerWaalsContact O-N 3.16Å; L302-L308 HydrophobicContact CD1-CD1 3.74Å; L302-F320 HydrophobicContact CD1-CZ 3.96Å; L302-F320 HydrophobicContact CD2-CE1 4.3Å; L302-F320 HydrophobicContact CD2-CZ 4.04Å; L302-F320 HydrophobicContact CG-CZ 4.25Å; L302-W321 HydrophobicContact CD2-CH2 3.75Å; L302-W321 HydrophobicContact CD2-CZ3 4.25Å; L302-I326 HydrophobicContact CD1-CD1 3.48Å; L302-I326 VanDerWaalsContact CD1-CD1 3.48Å; L302-Y330 HydrophobicContact CB-CD1 4.13Å; L302-Y330 HydrophobicContact CB-CE1 3.86Å; L302-Y330 HydrophobicContact CD1-CD1 4.34Å; L302-Y330 HydrophobicContact CD1-CD2 3.52Å; L302-Y330 HydrophobicContact CD1-CE1 4.2Å; L302-Y330 HydrophobicContact CD1-CE2 3.37Å; L302-Y330 HydrophobicContact CD1-CG 4.01Å; L302-L333 HydrophobicContact CB-CD1 4.46Å; L302-L333 HydrophobicContact CD2-CD1 4.05Å
303Q91.1Very high90.6Very high59 Ų5981.9 Ų81.928%0.27641%0.41SS..Hα-helixtrans-70.1-21.5178.8-74.2173.7-8.400113.1P287 S288 S289 L299 M300 E301 N305 K309P287-Q303 VanDerWaalsContact O-CG 3.24Å; P287-Q303 WeakPolarHBondContact O-CG 3.47Å; P287-Q303 PolarHBondContact O-NE2 3.19Å; S288-Q303 PolarHBondContact O-NE2 2.86Å; S289-Q303 PolarHBondContact O-NE2 3.36Å; S289-Q303 VanDerWaalsContact O-NE2 3.1Å; L299-Q303 HydrophobicContact CD1-CG 4.32Å; L299-Q303 HydrophobicContact CG-CG 4.24Å; L299-Q303 VanDerWaalsContact O-CB 3.26Å; L299-Q303 WeakPolarHBondContact O-CB 3.17Å; L299-Q303 WeakPolarHBondContact O-CG 3.23Å; L299-Q303 PolarHBondContact O-N 3.22Å; M300-Q303 CarbonylContact O-C 3.28Å; M300-Q303 PolarHBondContact O-N 2.96Å; E301-Q303 VanDerWaalsContact C-N 3.34Å; Q303-N305 VanDerWaalsContact C-N 3.32Å; Q303-K309 WeakPolarHBondContact O-CE 3.34Å; Q303-K309 PolarHBondContact O-NZ 3.23Å
304A92.2Very high90.8Very high73 Ų7383.9 Ų83.960%0.60341%0.413SS*.Hα-helixtrans-81-14.6172.700000112.5M300 E301 L302 E306M300-A304 WeakPolarHBondContact O-CB 3.45Å; M300-A304 PolarHBondContact O-N 2.97Å; E301-A304 PolarHBondContact O-N 3.38Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.99Å; A304-E306 PolarHBondContact O-N 3.15Å
305N91.4Very high90.8Very high55 Ų5580.4 Ų80.429%0.29440%0.4SS..  trans-84.897-177.5-168.9-37.6000112E301 L302 Q303 E307 L308 K309E301-N305 PolarHBondContact O-N 2.91Å; L302-N305 WeakPolarHBondContact O-CB 3.31Å; L302-N305 PolarHBondContact O-N 3.34Å; L302-N305 VanDerWaalsContact O-N 3.16Å; Q303-N305 VanDerWaalsContact C-N 3.32Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 PolarHBondContact O-N 3.18Å; N305-E307 PolarHBondContact OD1-N 3.26Å; N305-L308 HydrophobicContact CB-CB 4.03Å; N305-L308 HydrophobicContact CB-CD1 3.94Å; N305-L308 HydrophobicContact CB-CG 4.17Å; N305-L308 WeakPolarHBondContact ND2-CD1 3.43Å; N305-L308 PolarHBondContact O-N 3.39Å; N305-L308 PolarHBondContact OD1-N 2.99Å; N305-L308 VanDerWaalsContact OD1-N 3.1Å; N305-K309 PolarHBondContact O-N 2.75Å
306E88.8Confident90.7Very high120 Ų12081.1 Ų81.156%0.56141%0.412SS*.Hα-helixtrans-62.6-32.2-179-65.4-57.2140.900113.8A304 K309 V310A304-E306 PolarHBondContact O-N 3.15Å; E306-K309 PolarHBondContact O-N 3.41Å; E306-K309 IonicContact OE1-NZ 2.71Å; E306-K309 PolarHBondContact OE1-NZ 2.94Å; E306-K309 IonicContact OE2-NZ 3.61Å; E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.36Å
307E90.1Very high90.7Very high126 Ų12679.6 Ų79.659%0.58940%0.403SS*.Hα-helixtrans-67-41.7177.7-166.6-167.8146.600111.1N305 V310 K311N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 PolarHBondContact O-N 3.18Å; N305-E307 PolarHBondContact OD1-N 3.26Å; E307-V310 PolarHBondContact O-N 3.12Å; E307-K311 PolarHBondContact O-N 2.67Å; E307-K311 WeakPolarHBondContact OE1-CE 3.46Å; E307-K311 IonicContact OE1-NZ 3.79Å; E307-K311 PolarHBondContact OE1-NZ 3.11Å
308L89.3Confident90.5Very high15 Ų1573.9 Ų73.98%0.07938%0.376CS..Hα-helixtrans-65.6-37.8177.9-77.5-177000112.2L302 N305 V310 K311 F312 F320 I326 Y330L302-L308 HydrophobicContact CD1-CD1 3.74Å; N305-L308 HydrophobicContact CB-CB 4.03Å; N305-L308 HydrophobicContact CB-CD1 3.94Å; N305-L308 HydrophobicContact CB-CG 4.17Å; N305-L308 WeakPolarHBondContact ND2-CD1 3.43Å; N305-L308 PolarHBondContact O-N 3.39Å; N305-L308 PolarHBondContact OD1-N 2.99Å; N305-L308 VanDerWaalsContact OD1-N 3.1Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 3.06Å; L308-K311 PolarHBondContact O-N 3.22Å; L308-F312 PolarHBondContact O-N 3.09Å; L308-F320 HydrophobicContact CB-CE2 3.99Å; L308-F320 HydrophobicContact CD2-CE2 4.28Å; L308-F320 WeakPolarHBondContact O-CE2 3.42Å; L308-I326 HydrophobicContact CD1-CD1 3.7Å; L308-I326 HydrophobicContact CD2-CD1 3.96Å; L308-I326 HydrophobicContact CG-CD1 4.46Å; L308-Y330 HydrophobicContact CD1-CE2 3.79Å
309K85.7Confident90.3Very high80 Ų8073.4 Ų73.435%0.34838%0.381SS..Hα-helixtrans-57.6-45.4172.9-71.8179.6-174.51620112.3Q303 N305 E306 K311 F312 L313Q303-K309 WeakPolarHBondContact O-CE 3.34Å; Q303-K309 PolarHBondContact O-NZ 3.23Å; N305-K309 PolarHBondContact O-N 2.75Å; E306-K309 PolarHBondContact O-N 3.41Å; E306-K309 IonicContact OE1-NZ 2.71Å; E306-K309 PolarHBondContact OE1-NZ 2.94Å; E306-K309 IonicContact OE2-NZ 3.61Å; K309-K311 VanDerWaalsContact C-N 3.32Å; K309-K311 PolarHBondContact O-N 3.09Å; K309-F312 WeakPolarHBondContact O-CB 3.48Å; K309-F312 PolarHBondContact O-N 3.43Å; K309-L313 WeakPolarHBondContact O-CG 3.23Å; K309-L313 PolarHBondContact O-N 3.03Å
310V87.7Confident90.4Very high94 Ų9473.4 Ų73.457%0.5738%0.381SS*.Hα-helixtrans-62.3-42178.9175.40000110.9E306 E307 L308 L313 K314E306-V310 WeakPolarHBondContact O-CG2 3.49Å; E306-V310 PolarHBondContact O-N 3.36Å; E307-V310 PolarHBondContact O-N 3.12Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 3.06Å; V310-L313 PolarHBondContact O-N 3.28Å; V310-K314 WeakPolarHBondContact O-CB 3.34Å; V310-K314 PolarHBondContact O-N 2.88Å
311K88.3Confident90.5Very high67 Ų6767.6 Ų67.629%0.29135%0.352SS..Hα-helixtrans-65.5-39.9177.9-68.4-179.3-170.3165.90112.3E307 L308 K309 K314 N315E307-K311 PolarHBondContact O-N 2.67Å; E307-K311 WeakPolarHBondContact OE1-CE 3.46Å; E307-K311 IonicContact OE1-NZ 3.79Å; E307-K311 PolarHBondContact OE1-NZ 3.11Å; L308-K311 PolarHBondContact O-N 3.22Å; K309-K311 VanDerWaalsContact C-N 3.32Å; K309-K311 PolarHBondContact O-N 3.09Å; K311-K314 PolarHBondContact O-N 3.17Å; K311-N315 WeakPolarHBondContact O-CB 3.47Å; K311-N315 PolarHBondContact O-N 3.44Å
312F89.7Confident90.4Very high38 Ų3862.6 Ų62.617%0.16733%0.329CS..Hα-helixtrans-57.9-51.7173.1171-102.2000111.8I285 P287 L308 K309 K314 G316 F320I285-F312 WeakPolarHBondContact O-CE2 3.43Å; I285-F312 WeakPolarHBondContact O-CZ 3.44Å; P287-F312 VanDerWaalsContact CD-CZ 3.44Å; P287-F312 HydrophobicContact CG-CD2 3.91Å; P287-F312 HydrophobicContact CG-CE2 3.97Å; P287-F312 HydrophobicContact CG-CG 4.29Å; P287-F312 HydrophobicContact CG-CZ 4.43Å; L308-F312 PolarHBondContact O-N 3.09Å; K309-F312 WeakPolarHBondContact O-CB 3.48Å; K309-F312 PolarHBondContact O-N 3.43Å; F312-K314 VanDerWaalsContact C-N 3.27Å; F312-K314 PolarHBondContact O-N 3.47Å; F312-G316 WeakPolarHBondContact O-CA 3.29Å; F312-G316 PolarHBondContact O-N 3.41Å; F312-F320 HydrophobicContact CB-CB 4.25Å; F312-F320 HydrophobicContact CB-CD2 3.57Å; F312-F320 HydrophobicContact CB-CE2 3.98Å; F312-F320 HydrophobicContact CB-CG 3.89Å; F312-F320 HydrophobicContact CD2-CB 4.04Å; F312-F320 HydrophobicContact CD2-CD1 4.06Å; F312-F320 HydrophobicContact CD2-CD2 4.47Å; F312-F320 AromaticContact CD2-CG 3.93Å; F312-F320 HydrophobicContact CD2-CG 3.93Å; F312-F320 HydrophobicContact CG-CG 4.4Å
313L88.2Confident90.3Very high140 Ų14063.2 Ų63.273%0.73333%0.332SS*.Hα-helixtrans-62.1-35-179.9-69.7172.3000112.6K309 V310K309-L313 WeakPolarHBondContact O-CG 3.23Å; K309-L313 PolarHBondContact O-N 3.03Å; V310-L313 PolarHBondContact O-N 3.28Å
314K91Very high90.2Very high175 Ų17568.9 Ų68.976%0.76135%0.351SS*.Hα-helixtrans-79-41.5-176.8-169.4-179.1177.9-179.80113.4V310 K311 F312V310-K314 WeakPolarHBondContact O-CB 3.34Å; V310-K314 PolarHBondContact O-N 2.88Å; K311-K314 PolarHBondContact O-N 3.17Å; F312-K314 VanDerWaalsContact C-N 3.27Å; F312-K314 PolarHBondContact O-N 3.47Å
315N89Confident90.1Very high90 Ų9067.2 Ų67.248%0.48134%0.341SS..Hα-helixtrans-111.1-6.8-167.6-56.8-21.8000113.4K311 A319K311-N315 WeakPolarHBondContact O-CB 3.47Å; K311-N315 PolarHBondContact O-N 3.44Å; N315-A319 HydrophobicContact CB-CB 3.66Å
316G90.5Very high90.2Very high33 Ų3364.6 Ų64.634%0.3433%0.327SS..Hα-helixtrans76.3172-174.700000113.4F312 Q318 F320F312-G316 WeakPolarHBondContact O-CA 3.29Å; F312-G316 PolarHBondContact O-N 3.41Å; G316-Q318 PolarHBondContact O-N 2.9Å; G316-F320 VanDerWaalsContact O-CB 3.25Å; G316-F320 WeakPolarHBondContact O-CB 3.33Å; G316-F320 PolarHBondContact O-N 3.33Å
317Y91.3Very high90.2Very high45 Ų4560.4 Ų60.418%0.17631%0.312CS..Hα-helixtrans-62.3-39-169.779.4-83.1000113.8I209 I285 F320 W321 L341I209-Y317 HydrophobicContact CD1-CE2 3.86Å; I285-Y317 HydrophobicContact CD1-CD1 4.16Å; I285-Y317 HydrophobicContact CD1-CD2 3.95Å; I285-Y317 HydrophobicContact CD1-CE1 4.12Å; I285-Y317 HydrophobicContact CD1-CE2 3.88Å; I285-Y317 HydrophobicContact CD1-CG 4.09Å; Y317-F320 WeakPolarHBondContact O-CB 3.13Å; Y317-F320 PolarHBondContact O-N 3.29Å; Y317-W321 PolarHBondContact O-N 3.24Å; Y317-L341 HydrophobicContact CD2-CD2 4.46Å; Y317-L341 HydrophobicContact CE2-CD2 3.82Å
318Q91Very high90.2Very high42 Ų4260.5 Ų60.520%0.19631%0.313CS..Hα-helixtrans-65-56-176.5-64.2-171.28.800111.7N207 G316 F320 W321 L322 L341N207-Q318 VanDerWaalsContact ND2-CD 3.34Å; N207-Q318 PolarHBondContact ND2-NE2 3.23Å; G316-Q318 PolarHBondContact O-N 2.9Å; Q318-F320 PolarHBondContact O-N 2.9Å; Q318-W321 PolarHBondContact O-N 3.39Å; Q318-L322 WeakPolarHBondContact O-CG 3.38Å; Q318-L322 PolarHBondContact O-N 3.04Å; Q318-L322 VanDerWaalsContact O-N 3.13Å; Q318-L341 HydrophobicContact CG-CD2 4.22Å
319A90.6Very high90.5Very high40 Ų4063.3 Ų63.333%0.33133%0.334SS..Hα-helixtrans-61.2-34.3178.200000111.6N315 L322N315-A319 HydrophobicContact CB-CB 3.66Å; A319-L322 PolarHBondContact O-N 3.45Å
320F93.2Very high90.9Very high3 Ų360.3 Ų60.31%0.01332%0.32CS..Hα-helixtrans-56.8-54.6173.8168.5-103.6000112.4P287 L302 L308 F312 G316 Y317 Q318 L322 Q323 I326P287-F320 HydrophobicContact CG-CD1 4.31Å; P287-F320 HydrophobicContact CG-CE1 3.77Å; P287-F320 HydrophobicContact CG-CZ 4.23Å; L302-F320 HydrophobicContact CD1-CZ 3.96Å; L302-F320 HydrophobicContact CD2-CE1 4.3Å; L302-F320 HydrophobicContact CD2-CZ 4.04Å; L302-F320 HydrophobicContact CG-CZ 4.25Å; L308-F320 HydrophobicContact CB-CE2 3.99Å; L308-F320 HydrophobicContact CD2-CE2 4.28Å; L308-F320 WeakPolarHBondContact O-CE2 3.42Å; F312-F320 HydrophobicContact CB-CB 4.25Å; F312-F320 HydrophobicContact CB-CD2 3.57Å; F312-F320 HydrophobicContact CB-CE2 3.98Å; F312-F320 HydrophobicContact CB-CG 3.89Å; F312-F320 HydrophobicContact CD2-CB 4.04Å; F312-F320 HydrophobicContact CD2-CD1 4.06Å; F312-F320 HydrophobicContact CD2-CD2 4.47Å; F312-F320 AromaticContact CD2-CG 3.93Å; F312-F320 HydrophobicContact CD2-CG 3.93Å; F312-F320 HydrophobicContact CG-CG 4.4Å; G316-F320 VanDerWaalsContact O-CB 3.25Å; G316-F320 WeakPolarHBondContact O-CB 3.33Å; G316-F320 PolarHBondContact O-N 3.33Å; Y317-F320 WeakPolarHBondContact O-CB 3.13Å; Y317-F320 PolarHBondContact O-N 3.29Å; Q318-F320 PolarHBondContact O-N 2.9Å; F320-L322 VanDerWaalsContact C-N 3.28Å; F320-L322 PolarHBondContact O-N 3.49Å; F320-Q323 WeakPolarHBondContact O-CB 3.3Å; F320-Q323 WeakPolarHBondContact O-CG 3.48Å; F320-Q323 PolarHBondContact O-N 3.42Å; F320-Q323 PolarHBondContact O-NE2 3.03Å; F320-I326 HydrophobicContact CE1-CD1 4.45Å; F320-I326 HydrophobicContact CE2-CD1 4.17Å; F320-I326 HydrophobicContact CZ-CD1 3.94Å
321W94Very high91.2Very high0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-69.9-23.6-176.7-71.8119.4000113.7W283 V284 P287 L302 Y317 Q318 Q323 I326 L333 W334 V337 L341W283-W321 AromaticContact CE3-CH2 3.74Å; W283-W321 HydrophobicContact CE3-CH2 3.74Å; W283-W321 AromaticContact CE3-CZ2 3.76Å; W283-W321 HydrophobicContact CE3-CZ2 3.76Å; W283-W321 AromaticContact CZ3-CH2 3.66Å; W283-W321 HydrophobicContact CZ3-CH2 3.66Å; W283-W321 AromaticContact CZ3-CZ2 3.89Å; W283-W321 HydrophobicContact CZ3-CZ2 3.89Å; W283-W321 HydrophobicContact CZ3-CZ3 4.32Å; W283-W321 WeakPolarHBondContact O-CZ2 3.33Å; V284-W321 PolarHBondContact O-NE1 3.26Å; P287-W321 HydrophobicContact CG-CZ2 4.16Å; L302-W321 HydrophobicContact CD2-CH2 3.75Å; L302-W321 HydrophobicContact CD2-CZ3 4.25Å; Y317-W321 PolarHBondContact O-N 3.24Å; Q318-W321 PolarHBondContact O-N 3.39Å; W321-Q323 PolarHBondContact O-N 2.89Å; W321-I326 HydrophobicContact CE3-CG2 3.62Å; W321-I326 HydrophobicContact CZ3-CG2 3.93Å; W321-L333 HydrophobicContact CH2-CB 4.45Å; W321-L333 HydrophobicContact CH2-CD1 4.38Å; W321-L333 HydrophobicContact CZ3-CB 4.16Å; W321-W334 HydrophobicContact CB-CZ3 4.26Å; W321-W334 WeakPolarHBondContact O-CZ3 3.4Å; W321-V337 HydrophobicContact CB-CG1 3.67Å; W321-V337 HydrophobicContact CD2-CB 4.36Å; W321-V337 HydrophobicContact CD2-CG1 3.88Å; W321-V337 HydrophobicContact CD2-CG2 3.84Å; W321-V337 HydrophobicContact CE3-CB 4.39Å; W321-V337 HydrophobicContact CE3-CG1 4.29Å; W321-V337 HydrophobicContact CE3-CG2 3.88Å; W321-V337 HydrophobicContact CG-CG1 3.55Å; W321-V337 HydrophobicContact CG-CG2 4.37Å; W321-V337 HydrophobicContact CH2-CG2 4.35Å; W321-V337 HydrophobicContact CZ2-CG2 4.26Å; W321-V337 HydrophobicContact CZ3-CG2 4.16Å; W321-L341 HydrophobicContact CB-CD1 3.79Å; W321-L341 HydrophobicContact CG-CD1 4.44Å
322L92.7Very high91.5Very high16 Ų1658 Ų588%0.08431%0.312CS..THydrogen-bonded Turntrans-78.9-6.6179.1-66.4168.6000113.7I7 E10 V12 Q318 A319 F320 R324 W334I7-L322 HydrophobicContact CD1-CD2 3.58Å; I7-L322 HydrophobicContact CG1-CD2 3.82Å; E10-L322 WeakPolarHBondContact CA-O 3.45Å; E10-L322 WeakPolarHBondContact CB-O 3.44Å; E10-L322 VanDerWaalsContact O-CB 3.31Å; E10-L322 WeakPolarHBondContact O-CB 3.47Å; V12-L322 HydrophobicContact CG2-CD1 3.72Å; V12-L322 HydrophobicContact CG2-CD2 3.73Å; V12-L322 HydrophobicContact CG2-CG 4.38Å; Q318-L322 WeakPolarHBondContact O-CG 3.38Å; Q318-L322 PolarHBondContact O-N 3.04Å; Q318-L322 VanDerWaalsContact O-N 3.13Å; A319-L322 PolarHBondContact O-N 3.45Å; F320-L322 VanDerWaalsContact C-N 3.28Å; F320-L322 PolarHBondContact O-N 3.49Å; L322-R324 PolarHBondContact O-N 3.43Å; L322-W334 HydrophobicContact CD2-CH2 4.34Å
323Q91.5Very high91.7Very high16 Ų1656.2 Ų56.28%0.07531%0.305CS..  trans-60.5137.3176-73.5177.375.700111.2E10 F320 W321 G325 I326E10-Q323 WeakPolarHBondContact OE1-CA 3.15Å; F320-Q323 WeakPolarHBondContact O-CB 3.3Å; F320-Q323 WeakPolarHBondContact O-CG 3.48Å; F320-Q323 PolarHBondContact O-N 3.42Å; F320-Q323 PolarHBondContact O-NE2 3.03Å; W321-Q323 PolarHBondContact O-N 2.89Å; Q323-G325 VanDerWaalsContact C-N 3.29Å; Q323-G325 PolarHBondContact O-N 3.25Å; Q323-I326 HydrophobicContact CB-CG1 3.96Å; Q323-I326 WeakPolarHBondContact O-CB 3.2Å; Q323-I326 PolarHBondContact O-N 3.42Å
324R88.7Confident92Very high178 Ų17850.5 Ų50.567%0.67227%0.273SS*.Hα-helixtrans-59.7-41.3-176.1-176.3176.6176.6174.91.9112.1E10 L322 I326 A327 E328E10-R324 HydrophobicContact CG-CB 4.31Å; E10-R324 WeakPolarHBondContact OE1-CB 2.78Å; E10-R324 PolarHBondContact OE1-N 3.37Å; L322-R324 PolarHBondContact O-N 3.43Å; R324-I326 PolarHBondContact O-N 3.39Å; R324-A327 PolarHBondContact O-N 3.47Å; R324-E328 WeakPolarHBondContact CG-OE1 3.41Å; R324-E328 IonicContact CZ-OE1 3.1Å; R324-E328 IonicContact NE-OE1 3.84Å; R324-E328 PolarHBondContact NE-OE1 3.48Å; R324-E328 IonicContact NH2-OE1 3.85Å; R324-E328 PolarHBondContact O-N 2.96Å
325G90.3Very high92.1Very high38 Ų3844.6 Ų44.639%0.39225%0.25SC..Hα-helixtrans-61.3-28.2178.500000113.4Q323 E328 S329Q323-G325 VanDerWaalsContact C-N 3.29Å; Q323-G325 PolarHBondContact O-N 3.25Å; G325-E328 PolarHBondContact O-N 3.23Å; G325-S329 WeakPolarHBondContact O-CB 3.07Å; G325-S329 PolarHBondContact O-N 3.32Å; G325-S329 PolarHBondContact O-OG 2.94Å
326I92.1Very high92.3Very high0 Ų043 Ų430%024%0.241CC..Hα-helixtrans-68.5-46.6179.5-63.4-69.7000111.2L302 L308 F320 W321 Q323 R324 E328 S329 Y330L302-I326 HydrophobicContact CD1-CD1 3.48Å; L302-I326 VanDerWaalsContact CD1-CD1 3.48Å; L308-I326 HydrophobicContact CD1-CD1 3.7Å; L308-I326 HydrophobicContact CD2-CD1 3.96Å; L308-I326 HydrophobicContact CG-CD1 4.46Å; F320-I326 HydrophobicContact CE1-CD1 4.45Å; F320-I326 HydrophobicContact CE2-CD1 4.17Å; F320-I326 HydrophobicContact CZ-CD1 3.94Å; W321-I326 HydrophobicContact CE3-CG2 3.62Å; W321-I326 HydrophobicContact CZ3-CG2 3.93Å; Q323-I326 HydrophobicContact CB-CG1 3.96Å; Q323-I326 WeakPolarHBondContact O-CB 3.2Å; Q323-I326 PolarHBondContact O-N 3.42Å; R324-I326 PolarHBondContact O-N 3.39Å; I326-E328 PolarHBondContact O-N 2.87Å; I326-S329 PolarHBondContact O-N 3.19Å; I326-Y330 HydrophobicContact CD1-CD2 3.94Å; I326-Y330 HydrophobicContact CD1-CE2 4.05Å; I326-Y330 HydrophobicContact CG2-CD2 4.45Å; I326-Y330 PolarHBondContact O-N 3.48Å
327A89.9Confident92.5Very high32 Ų3241.4 Ų41.426%0.26423%0.225SC..Hα-helixtrans-67.3-25.5-179.500000113.1R324 W334R324-A327 PolarHBondContact O-N 3.47Å; A327-W334 HydrophobicContact CB-CD2 4.04Å; A327-W334 HydrophobicContact CB-CG 3.89Å
328E90.9Very high92.6Very high129 Ų12943 Ų4360%0.60323%0.23SC*.Hα-helixtrans-85.9-37.2179.4-68.6174.6-176.800112.2R324 G325 I326R324-E328 WeakPolarHBondContact CG-OE1 3.41Å; R324-E328 IonicContact CZ-OE1 3.1Å; R324-E328 IonicContact NE-OE1 3.84Å; R324-E328 PolarHBondContact NE-OE1 3.48Å; R324-E328 IonicContact NH2-OE1 3.85Å; R324-E328 PolarHBondContact O-N 2.96Å; G325-E328 PolarHBondContact O-N 3.23Å; I326-E328 PolarHBondContact O-N 2.87Å
329S93.8Very high92.7Very high74 Ų7444.4 Ų44.452%0.51724%0.236SC..Hα-helixtrans-96.9-27-174.6-59.80000115G325 I326G325-S329 WeakPolarHBondContact O-CB 3.07Å; G325-S329 PolarHBondContact O-N 3.32Å; G325-S329 PolarHBondContact O-OG 2.94Å; I326-S329 PolarHBondContact O-N 3.19Å
330Y94.6Very high92.9Very high16 Ų1643.1 Ų43.16%0.06322%0.223CC..  trans-128.965.4-172.9-47.7-77.2000110.6E298 E301 L302 L308 I326 L333 W334E298-Y330 HydrophobicContact CB-CD1 4.3Å; E298-Y330 WeakPolarHBondContact O-CD1 3.32Å; E298-Y330 WeakPolarHBondContact OE2-CA 3.49Å; E301-Y330 HydrophobicContact CB-CE1 3.86Å; L302-Y330 HydrophobicContact CB-CD1 4.13Å; L302-Y330 HydrophobicContact CB-CE1 3.86Å; L302-Y330 HydrophobicContact CD1-CD1 4.34Å; L302-Y330 HydrophobicContact CD1-CD2 3.52Å; L302-Y330 HydrophobicContact CD1-CE1 4.2Å; L302-Y330 HydrophobicContact CD1-CE2 3.37Å; L302-Y330 HydrophobicContact CD1-CG 4.01Å; L308-Y330 HydrophobicContact CD1-CE2 3.79Å; I326-Y330 HydrophobicContact CD1-CD2 3.94Å; I326-Y330 HydrophobicContact CD1-CE2 4.05Å; I326-Y330 HydrophobicContact CG2-CD2 4.45Å; I326-Y330 PolarHBondContact O-N 3.48Å; Y330-L333 PolarHBondContact O-N 2.62Å; Y330-W334 WeakPolarHBondContact O-CB 3.43Å; Y330-W334 PolarHBondContact O-N 3.26Å
331L93.9Very high92.9Very high95 Ų9543.1 Ų43.150%0.49722%0.223SC..Hα-helixtrans-67.7-38.8-167.5-173.964.7000112.5E298 W334 N335E298-L331 PolarHBondContact OE1-N 3.22Å; E298-L331 PolarHBondContact OE2-N 3.1Å; L331-W334 PolarHBondContact O-N 2.93Å; L331-N335 VanDerWaalsContact O-CB 3.32Å; L331-N335 WeakPolarHBondContact O-CB 3.5Å; L331-N335 PolarHBondContact O-N 2.85Å; L331-N335 PolarHBondContact O-ND2 3.3Å
332G94.2Very high92.9Very high19 Ų1944.1 Ų44.120%0.19623%0.229CC..Hα-helixtrans-59.8-52.5175.600000111.7E298 W334 N335E298-G332 VanDerWaalsContact CD-N 3.31Å; E298-G332 PolarHBondContact OE1-N 2.84Å; E298-G332 VanDerWaalsContact OE2-CA 3.27Å; E298-G332 WeakPolarHBondContact OE2-CA 3.24Å; E298-G332 PolarHBondContact OE2-N 2.74Å; G332-W334 PolarHBondContact O-N 2.92Å; G332-N335 PolarHBondContact O-N 3.06Å
333L95Very high93Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-58.8-48.2175.4-62.9-179.2000111W283 L295 E298 L299 L302 W321 Y330 N335 I336 V337W283-L333 HydrophobicContact CD2-CD2 4.21Å; W283-L333 HydrophobicContact CE3-CD2 4.02Å; W283-L333 HydrophobicContact CH2-CB 4.08Å; W283-L333 HydrophobicContact CH2-CD2 3.66Å; W283-L333 HydrophobicContact CH2-CG 4.49Å; W283-L333 HydrophobicContact CZ2-CD2 3.85Å; W283-L333 HydrophobicContact CZ3-CB 3.98Å; W283-L333 HydrophobicContact CZ3-CD2 3.74Å; W283-L333 HydrophobicContact CZ3-CG 4.39Å; L295-L333 HydrophobicContact CB-CD2 3.83Å; L295-L333 HydrophobicContact CD1-CD2 4.11Å; L295-L333 HydrophobicContact CD2-CD2 4.35Å; L295-L333 HydrophobicContact CG-CD2 4.32Å; E298-L333 HydrophobicContact CB-CD1 4.11Å; E298-L333 HydrophobicContact CB-CG 4.04Å; E298-L333 PolarHBondContact OE2-N 2.81Å; L299-L333 HydrophobicContact CB-CD1 4.22Å; L299-L333 HydrophobicContact CB-CD2 4.37Å; L299-L333 HydrophobicContact CD1-CD1 4.01Å; L302-L333 HydrophobicContact CB-CD1 4.46Å; L302-L333 HydrophobicContact CD2-CD1 4.05Å; W321-L333 HydrophobicContact CH2-CB 4.45Å; W321-L333 HydrophobicContact CH2-CD1 4.38Å; W321-L333 HydrophobicContact CZ3-CB 4.16Å; Y330-L333 PolarHBondContact O-N 2.62Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 3.38Å; L333-I336 PolarHBondContact O-N 3.35Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 2.67Å; L333-V337 VanDerWaalsContact O-N 3.08Å
334W94.8Very high93.1Very high19 Ų1944.2 Ų44.27%0.07223%0.228CC..Hα-helixtrans-60.4-38-178.9176.6-122.5000112.9I7 W321 L322 A327 Y330 L331 G332 I336 V337 R338I7-W334 HydrophobicContact CD1-CH2 3.31Å; I7-W334 HydrophobicContact CD1-CZ2 3.27Å; W321-W334 HydrophobicContact CB-CZ3 4.26Å; W321-W334 WeakPolarHBondContact O-CZ3 3.4Å; L322-W334 HydrophobicContact CD2-CH2 4.34Å; A327-W334 HydrophobicContact CB-CD2 4.04Å; A327-W334 HydrophobicContact CB-CG 3.89Å; Y330-W334 WeakPolarHBondContact O-CB 3.43Å; Y330-W334 PolarHBondContact O-N 3.26Å; L331-W334 PolarHBondContact O-N 2.93Å; G332-W334 PolarHBondContact O-N 2.92Å; W334-I336 PolarHBondContact O-N 3.05Å; W334-V337 HydrophobicContact CE3-CB 4.26Å; W334-V337 HydrophobicContact CE3-CG1 4.28Å; W334-V337 HydrophobicContact CZ3-CB 4.49Å; W334-V337 HydrophobicContact CZ3-CG1 4.07Å; W334-V337 PolarHBondContact O-N 2.98Å; W334-R338 HydrophobicContact CD2-CB 4.12Å; W334-R338 HydrophobicContact CE3-CB 4.39Å; W334-R338 HydrophobicContact CH2-CB 3.84Å; W334-R338 HydrophobicContact CZ2-CB 3.55Å; W334-R338 HydrophobicContact CZ3-CB 4.26Å; W334-R338 WeakPolarHBondContact O-CB 3.34Å; W334-R338 VanDerWaalsContact O-CG 3.32Å; W334-R338 WeakPolarHBondContact O-CG 3.44Å; W334-R338 PolarHBondContact O-N 3.33Å
335N92.8Very high93.3Very high51 Ų5135.8 Ų35.827%0.27320%0.196SC..Hα-helixtrans-61.8-29.8179.9-83.2-34.8000113.5L331 G332 L333 R338L331-N335 VanDerWaalsContact O-CB 3.32Å; L331-N335 WeakPolarHBondContact O-CB 3.5Å; L331-N335 PolarHBondContact O-N 2.85Å; L331-N335 PolarHBondContact O-ND2 3.3Å; G332-N335 PolarHBondContact O-N 3.06Å; L333-N335 VanDerWaalsContact C-N 3.3Å; L333-N335 PolarHBondContact O-N 3.38Å; N335-R338 PolarHBondContact OD1-NE 3.19Å; N335-R338 PolarHBondContact OD1-NH2 3.22Å
336I93.3Very high93.3Very high57 Ų5734.5 Ų34.529%0.29218%0.181SC..Hα-helixtrans-80.7-51174-63-179.9000109.9P281 W283 L295 L333 W334 R338 K339P281-I336 HydrophobicContact CG-CG2 4.32Å; W283-I336 HydrophobicContact CH2-CB 4.11Å; W283-I336 HydrophobicContact CH2-CD1 4.5Å; W283-I336 HydrophobicContact CH2-CG2 4.24Å; W283-I336 HydrophobicContact CZ2-CB 4.43Å; W283-I336 HydrophobicContact CZ2-CD1 4.09Å; W283-I336 HydrophobicContact CZ2-CG2 4.32Å; L295-I336 HydrophobicContact CD1-CD1 3.43Å; L295-I336 VanDerWaalsContact CD1-CD1 3.43Å; L333-I336 PolarHBondContact O-N 3.35Å; W334-I336 PolarHBondContact O-N 3.05Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.12Å; I336-K339 WeakPolarHBondContact O-CB 3.45Å; I336-K339 PolarHBondContact O-N 3.28Å
337V94.5Very high93.1Very high0 Ų035.6 Ų35.60%019%0.189CC..Hα-helixtrans-60.2-43.5-175.4173.80000112.1W283 V284 W321 L333 W334 K339 L340 L341W283-V337 HydrophobicContact CH2-CG2 3.88Å; W283-V337 HydrophobicContact CZ3-CG2 3.49Å; W283-V337 VanDerWaalsContact CZ3-CG2 3.49Å; V284-V337 HydrophobicContact CG1-CG2 4.25Å; V284-V337 HydrophobicContact CG2-CG2 3.97Å; W321-V337 HydrophobicContact CB-CG1 3.67Å; W321-V337 HydrophobicContact CD2-CB 4.36Å; W321-V337 HydrophobicContact CD2-CG1 3.88Å; W321-V337 HydrophobicContact CD2-CG2 3.84Å; W321-V337 HydrophobicContact CE3-CB 4.39Å; W321-V337 HydrophobicContact CE3-CG1 4.29Å; W321-V337 HydrophobicContact CE3-CG2 3.88Å; W321-V337 HydrophobicContact CG-CG1 3.55Å; W321-V337 HydrophobicContact CG-CG2 4.37Å; W321-V337 HydrophobicContact CH2-CG2 4.35Å; W321-V337 HydrophobicContact CZ2-CG2 4.26Å; W321-V337 HydrophobicContact CZ3-CG2 4.16Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 2.67Å; L333-V337 VanDerWaalsContact O-N 3.08Å; W334-V337 HydrophobicContact CE3-CB 4.26Å; W334-V337 HydrophobicContact CE3-CG1 4.28Å; W334-V337 HydrophobicContact CZ3-CB 4.49Å; W334-V337 HydrophobicContact CZ3-CG1 4.07Å; W334-V337 PolarHBondContact O-N 2.98Å; V337-K339 PolarHBondContact O-N 2.63Å; V337-L340 WeakPolarHBondContact O-CB 3.26Å; V337-L340 PolarHBondContact O-N 2.88Å; V337-L341 HydrophobicContact CG1-CD1 3.46Å; V337-L341 VanDerWaalsContact CG1-CD1 3.46Å; V337-L341 HydrophobicContact CG1-CG 3.76Å; V337-L341 PolarHBondContact O-N 2.73Å
338R93.5Very high92.8Very high77 Ų7736.1 Ų36.129%0.29118%0.184SC..Hα-helixtrans-59.5-32.8-178.375.4-174.8-178.9166.5-2.9112.5W334 N335 I336 L340 L342W334-R338 HydrophobicContact CD2-CB 4.12Å; W334-R338 HydrophobicContact CE3-CB 4.39Å; W334-R338 HydrophobicContact CH2-CB 3.84Å; W334-R338 HydrophobicContact CZ2-CB 3.55Å; W334-R338 HydrophobicContact CZ3-CB 4.26Å; W334-R338 WeakPolarHBondContact O-CB 3.34Å; W334-R338 VanDerWaalsContact O-CG 3.32Å; W334-R338 WeakPolarHBondContact O-CG 3.44Å; W334-R338 PolarHBondContact O-N 3.33Å; N335-R338 PolarHBondContact OD1-NE 3.19Å; N335-R338 PolarHBondContact OD1-NH2 3.22Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.12Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L342 HydrophobicContact CB-CD1 4.13Å; R338-L342 WeakPolarHBondContact O-CB 3.29Å; R338-L342 WeakPolarHBondContact O-CG 3.48Å; R338-L342 PolarHBondContact O-N 3.24Å
339K93.3Very high92.6Very high73 Ų7331.3 Ų31.332%0.31716%0.162SC..Hα-helixtrans-67.5-34.7176.7-69.3176.2-178.5-175.60111.5V79 I336 V337 A343V79-K339 HydrophobicContact CG2-CB 4.02Å; V79-K339 HydrophobicContact CG2-CD 3.81Å; V79-K339 HydrophobicContact CG2-CG 3.96Å; I336-K339 WeakPolarHBondContact O-CB 3.45Å; I336-K339 PolarHBondContact O-N 3.28Å; V337-K339 PolarHBondContact O-N 2.63Å; K339-A343 WeakPolarHBondContact O-CB 3.44Å
340L94.2Very high92.3Very high12 Ų1228.7 Ų28.76%0.06315%0.145CC..Hα-helixtrans-77.4-41177.9-63.4174000112.1N207 L208 I209 M278 V280 V284 V337 R338N207-L340 WeakPolarHBondContact CB-O 3.45Å; L208-L340 PolarHBondContact N-O 3.45Å; L208-L340 VanDerWaalsContact N-O 3.16Å; I209-L340 HydrophobicContact CD1-CB 4.12Å; I209-L340 HydrophobicContact CD1-CD1 4.27Å; I209-L340 HydrophobicContact CG1-CB 4.29Å; M278-L340 HydrophobicContact CE-CD2 4.09Å; M278-L340 HydrophobicContact CG-CD2 4.17Å; M278-L340 HydrophobicContact SD-CD2 3.53Å; M278-L340 VanDerWaalsContact SD-CD2 3.53Å; V280-L340 HydrophobicContact CG1-CD1 4.42Å; V284-L340 HydrophobicContact CG1-CD1 4.34Å; V284-L340 HydrophobicContact CG2-CD1 4.24Å; V337-L340 WeakPolarHBondContact O-CB 3.26Å; V337-L340 PolarHBondContact O-N 2.88Å; R338-L340 VanDerWaalsContact C-N 3.32Å
341L93.4Very high91.5Very high4 Ų430 Ų302%0.02115%0.152CC..Hα-helixtrans-83.5-39.3-174.7-61.3-171.8000113.8R5 N207 I209 Y317 Q318 W321 V337R5-L341 PolarHBondContact NH1-O 3.18Å; N207-L341 WeakPolarHBondContact CB-O 3.39Å; N207-L341 WeakPolarHBondContact ND2-CD2 3.44Å; I209-L341 HydrophobicContact CD1-CD2 4.3Å; Y317-L341 HydrophobicContact CD2-CD2 4.46Å; Y317-L341 HydrophobicContact CE2-CD2 3.82Å; Q318-L341 HydrophobicContact CG-CD2 4.22Å; W321-L341 HydrophobicContact CB-CD1 3.79Å; W321-L341 HydrophobicContact CG-CD1 4.44Å; V337-L341 HydrophobicContact CG1-CD1 3.46Å; V337-L341 VanDerWaalsContact CG1-CD1 3.46Å; V337-L341 HydrophobicContact CG1-CG 3.76Å; V337-L341 PolarHBondContact O-N 2.73Å
342L93.3Very high90.8Very high21 Ų2131.4 Ų31.411%0.1115%0.15CC..Hα-helixtrans-91-15.4-174.8-56.5-179.4000113.5R5 I7 V12 R338 F344R5-L342 WeakPolarHBondContact CD-O 3.3Å; I7-L342 HydrophobicContact CD1-CD1 4.12Å; I7-L342 HydrophobicContact CD1-CD2 4.12Å; I7-L342 HydrophobicContact CG1-CD1 4.2Å; I7-L342 HydrophobicContact CG1-CD2 3.73Å; V12-L342 HydrophobicContact CG2-CD2 4.05Å; R338-L342 HydrophobicContact CB-CD1 4.13Å; R338-L342 WeakPolarHBondContact O-CB 3.29Å; R338-L342 WeakPolarHBondContact O-CG 3.48Å; R338-L342 PolarHBondContact O-N 3.24Å; L342-F344 PolarHBondContact O-N 2.97Å
343A94.3Very high90.1Very high1 Ų136 Ų361%0.00816%0.162CC..SBendtrans-66.6128.9174.800000110.8R5 A51 V81 L208 K339R5-A343 PolarHBondContact NH1-O 2.72Å; A51-A343 HydrophobicContact CB-CB 3.59Å; V81-A343 HydrophobicContact CG2-CB 4.26Å; L208-A343 HydrophobicContact CD1-CB 3.61Å; L208-A343 HydrophobicContact CD2-CB 4.37Å; L208-A343 HydrophobicContact CG-CB 3.83Å; K339-A343 WeakPolarHBondContact O-CB 3.44Å
344F93.7Very high89.2Confident32 Ų3242 Ų4214%0.1419%0.188CC..  trans-67.8131.2166-75.2-76.2000109.3R5 Q14 A53 L342 L349R5-F344 HydrophobicContact CB-CD2 4.14Å; R5-F344 HydrophobicContact CB-CE1 4.19Å; R5-F344 HydrophobicContact CB-CE2 3.45Å; R5-F344 VanDerWaalsContact CB-CE2 3.45Å; R5-F344 HydrophobicContact CB-CZ 3.49Å; R5-F344 VanDerWaalsContact CB-CZ 3.49Å; R5-F344 HydrophobicContact CG-CZ 4.49Å; Q14-F344 HydrophobicContact CG-CE1 4.13Å; Q14-F344 HydrophobicContact CG-CZ 4.25Å; A53-F344 HydrophobicContact CB-CB 3.57Å; A53-F344 WeakPolarHBondContact CB-O 3.46Å; L342-F344 PolarHBondContact O-N 2.97Å; F344-L349 HydrophobicContact CE1-CD1 3.73Å; F344-L349 HydrophobicContact CZ-CD1 4.04Å
345P93Very high88.1Confident1 Ų142.3 Ų42.31%0.00619%0.193CC..SBendtrans-79.3-22.6171.929.6-33000112.5V84 L206 L208 T211V84-P345 HydrophobicContact CG2-CB 4.28Å; V84-P345 WeakPolarHBondContact CG2-O 3.36Å; V84-P345 PolarHBondContact N-O 3.35Å; V84-P345 VanDerWaalsContact N-O 3.1Å; L206-P345 HydrophobicContact CB-CG 4.4Å; L206-P345 HydrophobicContact CD2-CB 4.44Å; L206-P345 HydrophobicContact CD2-CG 3.48Å; L206-P345 VanDerWaalsContact CD2-CG 3.48Å; L206-P345 HydrophobicContact CG-CG 3.79Å; L206-P345 WeakPolarHBondContact O-CD 3.43Å; L208-P345 HydrophobicContact CD2-CB 4.19Å; T211-P345 HydrophobicContact CG2-CB 3.75Å; T211-P345 WeakPolarHBondContact OG1-CB 3.16Å; T211-P345 WeakPolarHBondContact OG1-CG 3.36Å
346S90.5Very high87.2Confident11 Ų1144 Ų448%0.07720%0.201CC..  trans-144.8165.1-171.574.70000112.7Y348S346-Y348 VanDerWaalsContact OG-CB 3.31Å; S346-Y348 WeakPolarHBondContact OG-CB 3.45Å; S346-Y348 PolarHBondContact OG-N 3.22Å
347T87.9Confident86.3Confident24 Ų2445 Ų4515%0.14721%0.209CC..  trans-89.318.5171.742.10000112.7C83 L349 A350 E351C83-T347 HydrophobicContact CB-CG2 4.2Å; C83-T347 PolarHBondContact SG-N 3.17Å; C83-T347 PolarHBondContact SG-OG1 3.02Å; T347-L349 VanDerWaalsContact C-N 3.31Å; T347-L349 PolarHBondContact O-N 3.26Å; T347-A350 WeakPolarHBondContact O-CB 3.28Å; T347-A350 PolarHBondContact O-N 3.2Å; T347-E351 PolarHBondContact O-N 3.42Å; T347-E351 PolarHBondContact OG1-OE1 2.96Å
348Y85.1Confident85Confident42 Ų4246.9 Ų46.917%0.16523%0.225CC..Hα-helixtrans-50.5-44.9-173.2169.7-106.7000113.7I85 H202 S346 A350 E351 R352I85-Y348 HydrophobicContact CD1-CD2 4.39Å; H202-Y348 HydrophobicContact CB-CE1 4.47Å; H202-Y348 HydrophobicContact CB-CE2 4.25Å; H202-Y348 AromaticContact CD2-CD2 3.19Å; H202-Y348 WeakPolarHBondContact CD2-CD2 3.48Å; H202-Y348 AromaticContact CD2-CE2 3.43Å; H202-Y348 VanDerWaalsContact CD2-CE2 3.43Å; H202-Y348 WeakPolarHBondContact CD2-CE2 3.34Å; H202-Y348 AromaticContact CD2-CG 3.78Å; H202-Y348 AromaticContact CE1-CD2 3.85Å; H202-Y348 AromaticContact CE1-CE2 3.53Å; H202-Y348 AromaticContact CG-CD2 3.77Å; H202-Y348 AromaticContact CG-CE2 3.5Å; H202-Y348 AromaticContact CG-CZ 3.91Å; H202-Y348 AromaticContact ND1-CE2 3.56Å; H202-Y348 AromaticContact NE2-CD2 3.24Å; H202-Y348 WeakPolarHBondContact NE2-CD2 3.36Å; H202-Y348 AromaticContact NE2-CE2 3.43Å; H202-Y348 WeakPolarHBondContact NE2-CE2 3.4Å; S346-Y348 VanDerWaalsContact OG-CB 3.31Å; S346-Y348 WeakPolarHBondContact OG-CB 3.45Å; S346-Y348 PolarHBondContact OG-N 3.22Å; Y348-A350 VanDerWaalsContact C-N 3.33Å; Y348-A350 PolarHBondContact O-N 2.63Å; Y348-E351 PolarHBondContact O-N 2.98Å; Y348-R352 HydrophobicContact CE2-CB 4.34Å; Y348-R352 WeakPolarHBondContact O-CB 3.36Å; Y348-R352 PolarHBondContact O-N 3.43Å; Y348-R352 WeakPolarHBondContact OH-CD 3.16Å
349L86.7Confident83.7Confident28 Ų2845.6 Ų45.615%0.14722%0.224CC..Hα-helixtrans-62.2-40.3-179.6-69.4179.5000112.8Y3 Q14 F344 T347 R353Y3-L349 HydrophobicContact CD1-CB 3.93Å; Y3-L349 HydrophobicContact CD1-CD1 3.59Å; Y3-L349 HydrophobicContact CD1-CG 4.38Å; Y3-L349 HydrophobicContact CD2-CB 3.84Å; Y3-L349 HydrophobicContact CE1-CB 3.97Å; Y3-L349 HydrophobicContact CE1-CD1 4.17Å; Y3-L349 HydrophobicContact CE2-CB 3.88Å; Y3-L349 HydrophobicContact CG-CB 3.85Å; Y3-L349 HydrophobicContact CG-CD1 3.85Å; Y3-L349 PolarHBondContact OH-O 3.35Å; Q14-L349 HydrophobicContact CB-CD1 4.21Å; F344-L349 HydrophobicContact CE1-CD1 3.73Å; F344-L349 HydrophobicContact CZ-CD1 4.04Å; T347-L349 VanDerWaalsContact C-N 3.31Å; T347-L349 PolarHBondContact O-N 3.26Å; L349-R353 PolarHBondContact O-N 3.2Å
350A85.5Confident82.6Confident19 Ų1947.7 Ų47.716%0.15724%0.238CC..Hα-helixtrans-67.1-48.5176.100000110.4M1 Y3 T347 Y348 R352 R353 F354M1-A350 HydrophobicContact CE-CB 4.38Å; M1-A350 VanDerWaalsContact CE-O 3.29Å; M1-A350 WeakPolarHBondContact CE-O 3.33Å; Y3-A350 HydrophobicContact CD2-CB 4.37Å; Y3-A350 HydrophobicContact CE2-CB 4.32Å; T347-A350 WeakPolarHBondContact O-CB 3.28Å; T347-A350 PolarHBondContact O-N 3.2Å; Y348-A350 VanDerWaalsContact C-N 3.33Å; Y348-A350 PolarHBondContact O-N 2.63Å; A350-R352 PolarHBondContact O-N 2.83Å; A350-R353 PolarHBondContact O-N 3.05Å; A350-F354 WeakPolarHBondContact O-CD2 3.25Å; A350-F354 PolarHBondContact O-N 2.97Å
351E77.7Confident81.3Confident45 Ų4552.3 Ų52.321%0.2126%0.262CS..Hα-helixtrans-63-41.5-179.8-70.7174.7-152.800112.8T347 Y348 F354 S355T347-E351 PolarHBondContact O-N 3.42Å; T347-E351 PolarHBondContact OG1-OE1 2.96Å; Y348-E351 PolarHBondContact O-N 2.98Å; E351-F354 PolarHBondContact O-N 3.27Å; E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.1Å; E351-S355 PolarHBondContact O-OG 3.44Å
352R79.3Confident79.6Confident124 Ų12455.3 Ų55.347%0.46828%0.281SS..Hα-helixtrans-60.6-46.9176-175.9-174.6178.2178.7-3.6110.6Y348 A350 S355 M356Y348-R352 HydrophobicContact CE2-CB 4.34Å; Y348-R352 WeakPolarHBondContact O-CB 3.36Å; Y348-R352 PolarHBondContact O-N 3.43Å; Y348-R352 WeakPolarHBondContact OH-CD 3.16Å; A350-R352 PolarHBondContact O-N 2.83Å; R352-S355 PolarHBondContact O-N 2.8Å; R352-M356 HydrophobicContact CG-CE 4.35Å; R352-M356 WeakPolarHBondContact O-CG 3.32Å; R352-M356 PolarHBondContact O-N 3.35Å
353R80.8Confident77.9Confident116 Ų11661.8 Ų61.844%0.43831%0.308SS..Hα-helixtrans-67.2-41.9177.1-96.1-148.7-164.5-165.83.9112.9M1 Y3 M16 L349 A350 S355 M356 V357M1-R353 HydrophobicContact CE-CB 3.88Å; M1-R353 HydrophobicContact SD-CB 3.82Å; Y3-R353 WeakPolarHBondContact OH-CD 3.47Å; Y3-R353 WeakPolarHBondContact OH-CG 3.49Å; Y3-R353 PolarHBondContact OH-NE 2.92Å; Y3-R353 VanDerWaalsContact OH-NE 3.17Å; M16-R353 VanDerWaalsContact CE-CD 3.42Å; M16-R353 VanDerWaalsContact CE-CZ 3.46Å; L349-R353 PolarHBondContact O-N 3.2Å; A350-R353 PolarHBondContact O-N 3.05Å; R353-S355 VanDerWaalsContact C-N 3.26Å; R353-S355 PolarHBondContact O-N 3.4Å; R353-M356 HydrophobicContact CB-CE 4.39Å; R353-M356 HydrophobicContact CG-CE 3.65Å; R353-M356 PolarHBondContact O-N 2.92Å; R353-V357 WeakPolarHBondContact O-CG2 3.43Å; R353-V357 PolarHBondContact O-N 3.18Å
354F75.7Confident75.6Confident125 Ų12570.4 Ų70.455%0.54835%0.345SS..Hα-helixtrans-57.2-43.1173.7-86.5-65.2000111.6M1 A350 E351 V357 A358M1-F354 HydrophobicContact CB-CE2 4.28Å; M1-F354 HydrophobicContact CB-CZ 4.43Å; M1-F354 HydrophobicContact CE-CD1 4.24Å; M1-F354 HydrophobicContact CE-CD2 3.27Å; M1-F354 HydrophobicContact CE-CE1 4.25Å; M1-F354 HydrophobicContact CE-CE2 3.28Å; M1-F354 HydrophobicContact CE-CG 3.77Å; M1-F354 HydrophobicContact CE-CZ 3.8Å; A350-F354 WeakPolarHBondContact O-CD2 3.25Å; A350-F354 PolarHBondContact O-N 2.97Å; E351-F354 PolarHBondContact O-N 3.27Å; F354-V357 PolarHBondContact O-N 3.21Å; F354-A358 WeakPolarHBondContact O-CB 3.33Å; F354-A358 PolarHBondContact O-N 2.99Å
355S70.6Confident73Confident26 Ų2679.6 Ų79.618%0.18238%0.379CS..Hα-helixtrans-62.3-44.7177-62.80000112.3E351 R352 R353 A358 D359E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.1Å; E351-S355 PolarHBondContact O-OG 3.44Å; R352-S355 PolarHBondContact O-N 2.8Å; R353-S355 VanDerWaalsContact C-N 3.26Å; R353-S355 PolarHBondContact O-N 3.4Å; S355-A358 PolarHBondContact O-N 3.17Å; S355-D359 PolarHBondContact O-N 3Å
356M74.4Confident70.1Confident86 Ų8688.9 Ų88.942%0.42443%0.428SS..Hα-helixtrans-63.9-41.1176.9-70.9-172.2-5900112.4R352 R353 D359 L360R352-M356 HydrophobicContact CG-CE 4.35Å; R352-M356 WeakPolarHBondContact O-CG 3.32Å; R352-M356 PolarHBondContact O-N 3.35Å; R353-M356 HydrophobicContact CB-CE 4.39Å; R353-M356 HydrophobicContact CG-CE 3.65Å; R353-M356 PolarHBondContact O-N 2.92Å; M356-D359 WeakPolarHBondContact O-CB 3.39Å; M356-D359 PolarHBondContact O-N 3.28Å; M356-L360 WeakPolarHBondContact O-CG 3.48Å; M356-L360 PolarHBondContact O-N 3.18Å
357V75.4Confident69.1Low77 Ų7792.8 Ų92.847%0.46745%0.446SS..Hα-helixtrans-64.5-44.1176.2173.70000110.4R353 F354 D359 L360 L361R353-V357 WeakPolarHBondContact O-CG2 3.43Å; R353-V357 PolarHBondContact O-N 3.18Å; F354-V357 PolarHBondContact O-N 3.21Å; V357-D359 VanDerWaalsContact C-N 3.32Å; V357-D359 PolarHBondContact O-N 3.41Å; V357-L360 PolarHBondContact O-N 2.96Å; V357-L361 HydrophobicContact CG1-CD1 4.1Å; V357-L361 HydrophobicContact CG1-CG 4.5Å; V357-L361 WeakPolarHBondContact O-CG 3.46Å; V357-L361 PolarHBondContact O-N 3.3Å
358A66.7Low68.1Low40 Ų4096.4 Ų96.433%0.33146%0.462SS..Hα-helixtrans-62-38.4175.800000112.4F354 S355 L361 T362F354-A358 WeakPolarHBondContact O-CB 3.33Å; F354-A358 PolarHBondContact O-N 2.99Å; S355-A358 PolarHBondContact O-N 3.17Å; A358-L361 PolarHBondContact O-N 2.89Å; A358-T362 WeakPolarHBondContact O-CB 3.36Å; A358-T362 WeakPolarHBondContact O-CG2 3.33Å; A358-T362 PolarHBondContact O-N 2.74Å; A358-T362 PolarHBondContact O-OG1 3.23Å
359D65.3Low67.2Low51 Ų5199.4 Ų99.427%0.27348%0.478SS..Hα-helixtrans-61.1-44.3172.9-90.9-39.4000112.3R144 S355 M356 V357 L361 T362 K363R144-D359 IonicContact CZ-OD1 2.99Å; R144-D359 IonicContact CZ-OD2 3.3Å; R144-D359 VanDerWaalsContact NH1-CG 3.28Å; R144-D359 IonicContact NH1-OD1 3.33Å; R144-D359 PolarHBondContact NH1-OD1 2.57Å; R144-D359 IonicContact NH1-OD2 3.35Å; R144-D359 PolarHBondContact NH1-OD2 3.28Å; R144-D359 IonicContact NH2-OD1 3.16Å; R144-D359 PolarHBondContact NH2-OD1 3.1Å; R144-D359 IonicContact NH2-OD2 3.11Å; S355-D359 PolarHBondContact O-N 3Å; M356-D359 WeakPolarHBondContact O-CB 3.39Å; M356-D359 PolarHBondContact O-N 3.28Å; V357-D359 VanDerWaalsContact C-N 3.32Å; V357-D359 PolarHBondContact O-N 3.41Å; D359-L361 VanDerWaalsContact C-N 3.33Å; D359-L361 PolarHBondContact O-N 3.15Å; D359-T362 WeakPolarHBondContact CA-OG1 3.39Å; D359-T362 PolarHBondContact O-N 3.47Å; D359-T362 PolarHBondContact O-OG1 2.88Å; D359-K363 WeakPolarHBondContact O-CB 3.34Å; D359-K363 WeakPolarHBondContact O-CG 3.28Å; D359-K363 PolarHBondContact O-N 3.5Å
360L71.2Confident66Low116 Ų116103.6 Ų103.661%0.60750%0.498SS*.Hα-helixtrans-64.3-38.8177.7-71.9167.6000111.9M356 V357 K364M356-L360 WeakPolarHBondContact O-CG 3.48Å; M356-L360 PolarHBondContact O-N 3.18Å; V357-L360 PolarHBondContact O-N 2.96Å; L360-K364 WeakPolarHBondContact O-CG 3.39Å; L360-K364 PolarHBondContact O-N 2.67Å
361L66.6Low64.8Low109 Ų109108.9 Ų108.957%0.57152%0.519SS*.Hα-helixtrans-72-37.2178.7-67.8173.8000112.6V357 A358 D359 K364V357-L361 HydrophobicContact CG1-CD1 4.1Å; V357-L361 HydrophobicContact CG1-CG 4.5Å; V357-L361 WeakPolarHBondContact O-CG 3.46Å; V357-L361 PolarHBondContact O-N 3.3Å; A358-L361 PolarHBondContact O-N 2.89Å; D359-L361 VanDerWaalsContact C-N 3.33Å; D359-L361 PolarHBondContact O-N 3.15Å; L361-K364 PolarHBondContact O-N 3.48Å
362T58.1Low64Low68 Ų68113.1 Ų113.142%0.41754%0.539SS..Hα-helixtrans-75.1-37.5178.743.70000112.6A358 D359 K364 R365 N366A358-T362 WeakPolarHBondContact O-CB 3.36Å; A358-T362 WeakPolarHBondContact O-CG2 3.33Å; A358-T362 PolarHBondContact O-N 2.74Å; A358-T362 PolarHBondContact O-OG1 3.23Å; D359-T362 WeakPolarHBondContact CA-OG1 3.39Å; D359-T362 PolarHBondContact O-N 3.47Å; D359-T362 PolarHBondContact O-OG1 2.88Å; T362-K364 PolarHBondContact O-N 2.99Å; T362-R365 PolarHBondContact O-N 2.76Å; T362-N366 PolarHBondContact O-N 3.34Å
363K56.9Low62.9Low156 Ų156112.4 Ų112.468%0.67854%0.544SS*.Hα-helixtrans-65.2-19.9172.4-76.4-177.6-179.7179.80114.2D359 N366D359-K363 WeakPolarHBondContact O-CB 3.34Å; D359-K363 WeakPolarHBondContact O-CG 3.28Å; D359-K363 PolarHBondContact O-N 3.5Å; K363-N366 VanDerWaalsContact O-OXT 3.11Å
364K45.6Very low61.5Low183 Ų183112.1 Ų112.180%0.79655%0.553SS**THydrogen-bonded Turntrans-84-12.8171.4-75.9-175176.7-172.90113.2L360 L361 T362L360-K364 WeakPolarHBondContact O-CG 3.39Å; L360-K364 PolarHBondContact O-N 2.67Å; L361-K364 PolarHBondContact O-N 3.48Å; T362-K364 PolarHBondContact O-N 2.99Å
365R40.3Very low60.3Low225 Ų225111 Ų11185%0.84955%0.553SS**THydrogen-bonded Turntrans-99.8-16.8-178.8-82.8-177.8163.9178.1-3.8113.8T362T362-R365 PolarHBondContact O-N 2.76Å
366N32.5Very low59.4Low195 Ų195118.7 Ų118.7100%1.04359%0.587SS**  trans-104.70168.2-62.9-18.1000109.1T362 K363T362-N366 PolarHBondContact O-N 3.34Å; K363-N366 VanDerWaalsContact O-OXT 3.11Å

Retrieved 366 of 366 residues in 276.3 ms (Link to these results)

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