A0A087XV10_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087XV10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M40.8Very low66.3Low236 Ų236109.4 Ų109.4100%1.16360%0.596SS**  0116.30-76.4179.7-107.500108.6L3M1-L3 PolarHBondContact O-N 3.49Å
2A49.8Very low67.4Low90 Ų90115.9 Ų115.974%0.74461%0.605SS**PPolyproline II helixtrans-70.7117.5175.400000108.6
3L58.5Low68.6Low73 Ų73114.3 Ų114.338%0.38260%0.603SS.*PPolyproline II helixtrans-55.7141.8175.5-9280.9000110M1 L7 R8M1-L3 PolarHBondContact O-N 3.49Å; L3-L7 HydrophobicContact CB-CB 4.4Å; L3-L7 HydrophobicContact CD2-CB 4.03Å; L3-L7 HydrophobicContact CD2-CD2 3.62Å; L3-L7 HydrophobicContact CD2-CG 3.98Å; L3-L7 HydrophobicContact CG-CB 4.49Å; L3-L7 HydrophobicContact CG-CD2 3.95Å; L3-R8 HydrophobicContact CB-CG 3.84Å; L3-R8 VanDerWaalsContact O-CZ 3.29Å; L3-R8 PolarHBondContact O-NE 3.42Å; L3-R8 PolarHBondContact O-NH2 2.98Å
4S72.2Confident70Confident78 Ų78115.6 Ų115.655%0.54560%0.601SS.*PPolyproline II helixtrans-56148.1174.375.10000110.1G6 L7 R8S4-G6 PolarHBondContact O-N 2.83Å; S4-G6 VanDerWaalsContact O-N 3.16Å; S4-L7 PolarHBondContact O-N 3.04Å; S4-L7 PolarHBondContact OG-N 2.63Å; S4-R8 PolarHBondContact O-N 3.09Å; S4-R8 VanDerWaalsContact O-N 3.09Å
5R66.3Low71.2Confident225 Ų225110.1 Ų110.185%0.84958%0.577SS**Hα-helixtrans-53.9-36.2-179.1-83.3-178.9166.5-176.5-3.4112.3R8 C9R5-R8 PolarHBondContact O-N 3.19Å; R5-C9 PolarHBondContact O-N 3.44Å; R5-C9 VanDerWaalsContact O-N 3.09Å
6G68.3Low72.4Confident47 Ų47109.1 Ų109.149%0.48556%0.563SS.*Hα-helixtrans-63.6-44.317500000113S4 R8 C9 C10S4-G6 PolarHBondContact O-N 2.83Å; S4-G6 VanDerWaalsContact O-N 3.16Å; G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 2.98Å; G6-C9 WeakPolarHBondContact O-CB 3.27Å; G6-C9 PolarHBondContact O-N 3.45Å; G6-C10 PolarHBondContact O-N 2.88Å; G6-C10 PolarHBondContact O-SG 3.21Å
7L71.4Confident73.7Confident102 Ų102107.1 Ų107.153%0.53455%0.553SS.*Hα-helixtrans-67.7-34.1-179.9-143.272.8000112.1L3 S4 Q11L3-L7 HydrophobicContact CB-CB 4.4Å; L3-L7 HydrophobicContact CD2-CB 4.03Å; L3-L7 HydrophobicContact CD2-CD2 3.62Å; L3-L7 HydrophobicContact CD2-CG 3.98Å; L3-L7 HydrophobicContact CG-CB 4.49Å; L3-L7 HydrophobicContact CG-CD2 3.95Å; S4-L7 PolarHBondContact O-N 3.04Å; S4-L7 PolarHBondContact OG-N 2.63Å; L7-Q11 VanDerWaalsContact O-CB 3.32Å; L7-Q11 WeakPolarHBondContact O-CB 3.23Å; L7-Q11 PolarHBondContact O-N 3.33Å
8R71.2Confident74.8Confident105 Ų105102.7 Ų102.740%0.39653%0.532SS..Hα-helixtrans-67.4-36.5171.8-75.4-172.9-107.4-171-3.5112.9L3 S4 R5 G6 R12L3-R8 HydrophobicContact CB-CG 3.84Å; L3-R8 VanDerWaalsContact O-CZ 3.29Å; L3-R8 PolarHBondContact O-NE 3.42Å; L3-R8 PolarHBondContact O-NH2 2.98Å; S4-R8 PolarHBondContact O-N 3.09Å; S4-R8 VanDerWaalsContact O-N 3.09Å; R5-R8 PolarHBondContact O-N 3.19Å; G6-R8 VanDerWaalsContact C-N 3.34Å; G6-R8 PolarHBondContact O-N 2.98Å; R8-R12 WeakPolarHBondContact O-CB 3.29Å; R8-R12 PolarHBondContact O-N 2.9Å
9C73.1Confident75.8Confident81 Ų8197.7 Ų97.755%0.54751%0.507SS..Hα-helixtrans-64.3-49.3174.2-167.60000110.8R5 G6 Q11 R12 V13R5-C9 PolarHBondContact O-N 3.44Å; R5-C9 VanDerWaalsContact O-N 3.09Å; G6-C9 WeakPolarHBondContact O-CB 3.27Å; G6-C9 PolarHBondContact O-N 3.45Å; C9-Q11 PolarHBondContact O-N 3.49Å; C9-R12 PolarHBondContact O-N 3.36Å; C9-V13 WeakPolarHBondContact O-CG2 3.45Å; C9-V13 PolarHBondContact O-N 2.77Å
10C78.8Confident76.7Confident64 Ų6498.4 Ų98.443%0.43251%0.51SS..Hα-helixtrans-58.5-47.3175.6-67.10000111.7G6 R12 V13 F14G6-C10 PolarHBondContact O-N 2.88Å; G6-C10 PolarHBondContact O-SG 3.21Å; C10-R12 VanDerWaalsContact C-N 3.27Å; C10-R12 PolarHBondContact O-N 2.96Å; C10-V13 PolarHBondContact O-N 3.42Å; C10-V13 VanDerWaalsContact O-N 3.08Å; C10-F14 HydrophobicContact CB-CD2 4.18Å; C10-F14 HydrophobicContact CB-CE2 4.06Å; C10-F14 WeakPolarHBondContact O-CD2 3.35Å; C10-F14 PolarHBondContact O-N 3.22Å
11Q79.3Confident77.6Confident102 Ų10298 Ų9848%0.47751%0.508SS..Hα-helixtrans-59.6-38.5178.4-172.2176.3-4.200112.3L7 C9 V13 F14 S15L7-Q11 VanDerWaalsContact O-CB 3.32Å; L7-Q11 WeakPolarHBondContact O-CB 3.23Å; L7-Q11 PolarHBondContact O-N 3.33Å; C9-Q11 PolarHBondContact O-N 3.49Å; Q11-V13 VanDerWaalsContact C-N 3.35Å; Q11-F14 PolarHBondContact O-N 3.41Å; Q11-S15 WeakPolarHBondContact O-CB 3.3Å; Q11-S15 PolarHBondContact O-N 3.4Å
12R79.1Confident80.1Confident188 Ų18887.6 Ų87.671%0.70946%0.457SS*.Hα-helixtrans-67.3-33.8175.8-169.7175.5-175173.91.2112.6R8 C9 C10 S15R8-R12 WeakPolarHBondContact O-CB 3.29Å; R8-R12 PolarHBondContact O-N 2.9Å; C9-R12 PolarHBondContact O-N 3.36Å; C10-R12 VanDerWaalsContact C-N 3.27Å; C10-R12 PolarHBondContact O-N 2.96Å; R12-S15 PolarHBondContact O-OG 3.2Å; R12-S15 VanDerWaalsContact O-OG 3.1Å
13V83.4Confident82.2Confident95 Ų9585.9 Ų85.958%0.57644%0.438SS*.Hα-helixtrans-72.1-47.3174.4174.30000110.4C9 C10 Q11 S15 W16C9-V13 WeakPolarHBondContact O-CG2 3.45Å; C9-V13 PolarHBondContact O-N 2.77Å; C10-V13 PolarHBondContact O-N 3.42Å; C10-V13 VanDerWaalsContact O-N 3.08Å; Q11-V13 VanDerWaalsContact C-N 3.35Å; V13-S15 PolarHBondContact O-N 3.28Å; V13-W16 PolarHBondContact O-N 3.44Å; V13-W16 VanDerWaalsContact O-N 3.13Å
14F87.9Confident84Confident132 Ų13285.2 Ų85.258%0.57944%0.442SS*.Hα-helixtrans-62.6-29.3179.1-73.5-61.7000112.9C10 Q11 W16 I17C10-F14 HydrophobicContact CB-CD2 4.18Å; C10-F14 HydrophobicContact CB-CE2 4.06Å; C10-F14 WeakPolarHBondContact O-CD2 3.35Å; C10-F14 PolarHBondContact O-N 3.22Å; Q11-F14 PolarHBondContact O-N 3.41Å; F14-W16 PolarHBondContact O-N 2.88Å; F14-I17 HydrophobicContact CD1-CD1 3.57Å; F14-I17 HydrophobicContact CE1-CD1 4.23Å; F14-I17 WeakPolarHBondContact O-CB 3.27Å; F14-I17 PolarHBondContact O-N 3.3Å; F14-I17 VanDerWaalsContact O-N 3.13Å
15S87.4Confident85Confident34 Ų3483.5 Ų83.524%0.23843%0.428CS..THydrogen-bonded Turntrans-67.7-16.5177.883.10000113.8Q11 R12 V13 P18 N157Q11-S15 WeakPolarHBondContact O-CB 3.3Å; Q11-S15 PolarHBondContact O-N 3.4Å; R12-S15 PolarHBondContact O-OG 3.2Å; R12-S15 VanDerWaalsContact O-OG 3.1Å; V13-S15 PolarHBondContact O-N 3.28Å; S15-P18 WeakPolarHBondContact O-CD 2.8Å; S15-N157 WeakPolarHBondContact CB-OD1 3.36Å; S15-N157 VanDerWaalsContact O-CG 3.31Å; S15-N157 PolarHBondContact O-OD1 3.02Å; S15-N157 PolarHBondContact OG-ND2 2.89Å; S15-N157 PolarHBondContact OG-OD1 3.22Å
16W91.8Very high86.4Confident93 Ų9373.6 Ų73.635%0.35239%0.393SS..THydrogen-bonded Turntrans-84-14.1173.6-75.299.9000114V13 F14 V19 L20 I70 F71 N157V13-W16 PolarHBondContact O-N 3.44Å; V13-W16 VanDerWaalsContact O-N 3.13Å; F14-W16 PolarHBondContact O-N 2.88Å; W16-V19 HydrophobicContact CE3-CB 4.03Å; W16-V19 HydrophobicContact CE3-CG1 4.03Å; W16-V19 HydrophobicContact CE3-CG2 4.22Å; W16-V19 HydrophobicContact CZ3-CG1 4.12Å; W16-V19 HydrophobicContact CZ3-CG2 4.49Å; W16-V19 WeakPolarHBondContact O-CB 3.47Å; W16-V19 PolarHBondContact O-N 3.08Å; W16-V19 VanDerWaalsContact O-N 3.09Å; W16-L20 WeakPolarHBondContact O-CG 3.35Å; W16-L20 PolarHBondContact O-N 3.29Å; W16-I70 HydrophobicContact CH2-CG2 4.02Å; W16-I70 HydrophobicContact CZ3-CG2 4Å; W16-F71 HydrophobicContact CH2-CE1 4.12Å; W16-F71 HydrophobicContact CH2-CZ 4.28Å; W16-N157 PolarHBondContact NE1-ND2 3.13Å
17I93.3Very high87.6Confident76 Ų7676.2 Ų76.239%0.3940%0.395SS..Hα-helixtrans-54.2-47.5-178.1-69.5-176.4000112.6F14 V19 L20 I21F14-I17 HydrophobicContact CD1-CD1 3.57Å; F14-I17 HydrophobicContact CE1-CD1 4.23Å; F14-I17 WeakPolarHBondContact O-CB 3.27Å; F14-I17 PolarHBondContact O-N 3.3Å; F14-I17 VanDerWaalsContact O-N 3.13Å; I17-V19 VanDerWaalsContact C-N 3.28Å; I17-V19 PolarHBondContact O-N 3.26Å; I17-L20 PolarHBondContact O-N 3.4Å; I17-L20 VanDerWaalsContact O-N 3.17Å; I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.26Å; I17-I21 WeakPolarHBondContact O-CG1 3.41Å; I17-I21 PolarHBondContact O-N 3.35Å
18P93.9Very high88.7Confident28 Ų2874.1 Ų74.118%0.18238%0.38CS..Hα-helixtrans-60.3-38.6179-23.434.5000112.8S15 I21 I22 P154 W155S15-P18 WeakPolarHBondContact O-CD 2.8Å; P18-I21 PolarHBondContact O-N 3.42Å; P18-I22 WeakPolarHBondContact O-CG1 3.45Å; P18-I22 PolarHBondContact O-N 3.01Å; P18-I22 VanDerWaalsContact O-N 3.08Å; P18-P154 WeakPolarHBondContact CB-O 3.31Å; P18-P154 HydrophobicContact CG-CB 4.23Å; P18-W155 HydrophobicContact CB-CE3 3.98Å; P18-W155 HydrophobicContact CB-CZ3 4.43Å
19V93.9Very high89.8Confident8 Ų869.5 Ų69.55%0.04836%0.364CS..Hα-helixtrans-65.8-41.8177.3176.90000110.9W16 I17 I22 T23 Y66 I70 N157W16-V19 HydrophobicContact CE3-CB 4.03Å; W16-V19 HydrophobicContact CE3-CG1 4.03Å; W16-V19 HydrophobicContact CE3-CG2 4.22Å; W16-V19 HydrophobicContact CZ3-CG1 4.12Å; W16-V19 HydrophobicContact CZ3-CG2 4.49Å; W16-V19 WeakPolarHBondContact O-CB 3.47Å; W16-V19 PolarHBondContact O-N 3.08Å; W16-V19 VanDerWaalsContact O-N 3.09Å; I17-V19 VanDerWaalsContact C-N 3.28Å; I17-V19 PolarHBondContact O-N 3.26Å; V19-I22 PolarHBondContact O-N 3.23Å; V19-T23 WeakPolarHBondContact O-CB 3.48Å; V19-T23 PolarHBondContact O-N 3.42Å; V19-T23 PolarHBondContact O-OG1 3.43Å; V19-Y66 WeakPolarHBondContact CA-OH 3.46Å; V19-I70 HydrophobicContact CG1-CD1 3.87Å; V19-N157 HydrophobicContact CG2-CB 3.69Å
20L94.3Very high90.8Very high111 Ų11168.7 Ų68.758%0.58135%0.35SS*.Hα-helixtrans-65-39.6176.7-67175.4000112W16 I17 T23 A24W16-L20 WeakPolarHBondContact O-CG 3.35Å; W16-L20 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 3.4Å; I17-L20 VanDerWaalsContact O-N 3.17Å; L20-T23 PolarHBondContact O-N 2.76Å; L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.04Å
21I94.6Very high91.5Very high89 Ų8970.4 Ų70.446%0.45635%0.348SS..Hα-helixtrans-60.9-50.7175.6-69.6167.8000110.5I17 P18 T23 A24 V25I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.26Å; I17-I21 WeakPolarHBondContact O-CG1 3.41Å; I17-I21 PolarHBondContact O-N 3.35Å; P18-I21 PolarHBondContact O-N 3.42Å; I21-T23 VanDerWaalsContact C-N 3.32Å; I21-T23 PolarHBondContact O-N 3.42Å; I21-A24 PolarHBondContact O-N 3.31Å; I21-V25 WeakPolarHBondContact O-CG2 3.36Å; I21-V25 PolarHBondContact O-N 3.2Å
22I94Very high92Very high19 Ų1965.6 Ų65.610%0.09733%0.326CS..Hα-helixtrans-61.7-43.5179-64.6-61.4000110.6P18 V19 A24 V25 V26 Y66 W155 F217P18-I22 WeakPolarHBondContact O-CG1 3.45Å; P18-I22 PolarHBondContact O-N 3.01Å; P18-I22 VanDerWaalsContact O-N 3.08Å; V19-I22 PolarHBondContact O-N 3.23Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 3.17Å; I22-V25 PolarHBondContact O-N 2.92Å; I22-V26 HydrophobicContact CG2-CG2 4.22Å; I22-V26 WeakPolarHBondContact O-CB 3.45Å; I22-V26 WeakPolarHBondContact O-CG2 3.33Å; I22-V26 PolarHBondContact O-N 3.15Å; I22-Y66 HydrophobicContact CG2-CE1 4Å; I22-Y66 HydrophobicContact CG2-CE2 4.36Å; I22-W155 HydrophobicContact CD1-CE3 3.81Å; I22-W155 HydrophobicContact CD1-CZ3 3.91Å; I22-W155 HydrophobicContact CG1-CE3 3.68Å; I22-W155 HydrophobicContact CG1-CZ3 4.12Å; I22-F217 HydrophobicContact CD1-CE1 4.14Å; I22-F217 HydrophobicContact CD1-CZ 4.17Å
23T94.2Very high92.6Very high54 Ų5456.6 Ų56.633%0.33129%0.292SS..Hα-helixtrans-60.9-43.8177.8-550000111.4V19 L20 I21 V26 L27V19-T23 WeakPolarHBondContact O-CB 3.48Å; V19-T23 PolarHBondContact O-N 3.42Å; V19-T23 PolarHBondContact O-OG1 3.43Å; L20-T23 PolarHBondContact O-N 2.76Å; I21-T23 VanDerWaalsContact C-N 3.32Å; I21-T23 PolarHBondContact O-N 3.42Å; T23-V26 PolarHBondContact O-N 3.09Å; T23-L27 HydrophobicContact CG2-CD1 4.02Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.47Å; T23-L27 PolarHBondContact O-N 3.13Å
24A95.3Very high93Very high58 Ų5852.7 Ų52.748%0.47927%0.268SS..Hα-helixtrans-63.6-45177.500000112.2L20 I21 I22 V26 L27 W28L20-A24 VanDerWaalsContact O-CB 3.32Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.04Å; I21-A24 PolarHBondContact O-N 3.31Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 3.17Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.16Å; A24-L27 PolarHBondContact O-N 3.09Å; A24-W28 VanDerWaalsContact O-CB 3.31Å; A24-W28 WeakPolarHBondContact O-CB 3.3Å; A24-W28 PolarHBondContact O-N 3.5Å
25V94.4Very high93.1Very high42 Ų4250.4 Ų50.426%0.25526%0.258SS..Hα-helixtrans-62.2-42.4177.1171.60000111I21 I22 W28 S29 V213 F217I21-V25 WeakPolarHBondContact O-CG2 3.36Å; I21-V25 PolarHBondContact O-N 3.2Å; I22-V25 PolarHBondContact O-N 2.92Å; V25-W28 PolarHBondContact O-N 2.86Å; V25-S29 WeakPolarHBondContact O-CB 3.4Å; V25-S29 PolarHBondContact O-N 3Å; V25-S29 PolarHBondContact O-OG 3Å; V25-V213 HydrophobicContact CG1-CG1 4.04Å; V25-F217 HydrophobicContact CG1-CE2 4.18Å
26V94.2Very high93.1Very high17 Ų1749.5 Ų49.510%0.10325%0.25CS..Hα-helixtrans-66-45.8179.4168.60000111.1I22 T23 A24 W28 S29 Y30 F59 F62I22-V26 HydrophobicContact CG2-CG2 4.22Å; I22-V26 WeakPolarHBondContact O-CB 3.45Å; I22-V26 WeakPolarHBondContact O-CG2 3.33Å; I22-V26 PolarHBondContact O-N 3.15Å; T23-V26 PolarHBondContact O-N 3.09Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-V26 PolarHBondContact O-N 3.16Å; V26-W28 PolarHBondContact O-N 2.89Å; V26-S29 WeakPolarHBondContact CA-OG 3.42Å; V26-S29 PolarHBondContact O-N 3.37Å; V26-S29 PolarHBondContact O-OG 3.03Å; V26-Y30 PolarHBondContact O-N 3.2Å; V26-F59 HydrophobicContact CG1-CD2 4.25Å; V26-F59 HydrophobicContact CG1-CE2 3.55Å; V26-F59 HydrophobicContact CG1-CZ 4.39Å; V26-F62 HydrophobicContact CB-CE1 4.25Å; V26-F62 HydrophobicContact CG1-CD1 4.24Å; V26-F62 HydrophobicContact CG1-CE1 3.79Å; V26-F62 HydrophobicContact CG2-CE1 3.47Å; V26-F62 VanDerWaalsContact CG2-CE1 3.47Å; V26-F62 HydrophobicContact CG2-CZ 3.58Å
27L94.6Very high92.7Very high103 Ų10345.1 Ų45.154%0.53923%0.233SC..Hα-helixtrans-64.2-41176.9-70.4174.6000112.2T23 A24 Y30 Y31T23-L27 HydrophobicContact CG2-CD1 4.02Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.27Å; T23-L27 WeakPolarHBondContact O-CG 3.47Å; T23-L27 PolarHBondContact O-N 3.13Å; A24-L27 PolarHBondContact O-N 3.09Å; L27-Y30 WeakPolarHBondContact O-CB 3.41Å; L27-Y30 PolarHBondContact O-N 3.11Å; L27-Y31 PolarHBondContact O-N 2.96Å
28W94.5Very high92.4Very high58 Ų5841.5 Ų41.522%0.2222%0.215CC..Hα-helixtrans-63.5-42173.6166.767.3000111.8A24 V25 V26 Y30 Y31 A32 H206 F209 L210 V213A24-W28 VanDerWaalsContact O-CB 3.31Å; A24-W28 WeakPolarHBondContact O-CB 3.3Å; A24-W28 PolarHBondContact O-N 3.5Å; V25-W28 PolarHBondContact O-N 2.86Å; V26-W28 PolarHBondContact O-N 2.89Å; W28-Y30 VanDerWaalsContact C-N 3.28Å; W28-Y30 PolarHBondContact O-N 3.49Å; W28-Y31 WeakPolarHBondContact O-CB 3.3Å; W28-Y31 PolarHBondContact O-N 2.92Å; W28-A32 HydrophobicContact CZ2-CB 4.33Å; W28-A32 WeakPolarHBondContact O-CB 3.4Å; W28-A32 PolarHBondContact O-N 3.09Å; W28-H206 AromaticContact NE1-ND1 3.59Å; W28-F209 HydrophobicContact CE3-CD1 4.49Å; W28-F209 HydrophobicContact CE3-CE1 4.29Å; W28-F209 HydrophobicContact CH2-CB 4.08Å; W28-F209 AromaticContact CH2-CD1 3Å; W28-F209 HydrophobicContact CH2-CD1 3Å; W28-F209 AromaticContact CH2-CE1 3.53Å; W28-F209 HydrophobicContact CH2-CE1 3.53Å; W28-F209 AromaticContact CH2-CG 3.8Å; W28-F209 HydrophobicContact CH2-CG 3.8Å; W28-F209 HydrophobicContact CZ2-CB 4.25Å; W28-F209 AromaticContact CZ2-CD1 3.28Å; W28-F209 HydrophobicContact CZ2-CD1 3.28Å; W28-F209 AromaticContact CZ2-CE1 3.98Å; W28-F209 HydrophobicContact CZ2-CE1 3.98Å; W28-F209 HydrophobicContact CZ2-CG 4.18Å; W28-F209 AromaticContact CZ3-CD1 3.69Å; W28-F209 HydrophobicContact CZ3-CD1 3.69Å; W28-F209 AromaticContact CZ3-CE1 3.68Å; W28-F209 HydrophobicContact CZ3-CE1 3.68Å; W28-L210 HydrophobicContact CH2-CB 4.3Å; W28-L210 HydrophobicContact CH2-CD1 4.18Å; W28-L210 HydrophobicContact CZ3-CD1 4.36Å; W28-V213 HydrophobicContact CZ3-CB 4.41Å; W28-V213 HydrophobicContact CZ3-CG1 4.42Å; W28-V213 HydrophobicContact CZ3-CG2 4.23Å
29S93.6Very high91.9Very high7 Ų743.6 Ų43.65%0.04922%0.224CC..Hα-helixtrans-62.7-36.3176.774.50000112.2V25 V26 Y33 Y178V25-S29 WeakPolarHBondContact O-CB 3.4Å; V25-S29 PolarHBondContact O-N 3Å; V25-S29 PolarHBondContact O-OG 3Å; V26-S29 WeakPolarHBondContact CA-OG 3.42Å; V26-S29 PolarHBondContact O-N 3.37Å; V26-S29 PolarHBondContact O-OG 3.03Å; S29-Y33 VanDerWaalsContact O-CB 3.24Å; S29-Y33 WeakPolarHBondContact O-CB 3.31Å; S29-Y33 PolarHBondContact O-N 3.45Å; S29-Y178 PolarHBondContact OG-OH 3.46Å
30Y94.1Very high91.4Very high65 Ų6550.4 Ų50.426%0.25525%0.253SS..Hα-helixtrans-63.1-47.6172.7-179.6-81.5000111.2V26 L27 W28 Y33 V34 F35 F55 H56 F59V26-Y30 PolarHBondContact O-N 3.2Å; L27-Y30 WeakPolarHBondContact O-CB 3.41Å; L27-Y30 PolarHBondContact O-N 3.11Å; W28-Y30 VanDerWaalsContact C-N 3.28Å; W28-Y30 PolarHBondContact O-N 3.49Å; Y30-Y33 PolarHBondContact O-N 3.16Å; Y30-V34 HydrophobicContact CD1-CG2 4.24Å; Y30-V34 HydrophobicContact CD2-CG2 4.24Å; Y30-V34 HydrophobicContact CE1-CB 4.35Å; Y30-V34 HydrophobicContact CE1-CG2 4Å; Y30-V34 HydrophobicContact CE2-CG2 3.99Å; Y30-V34 HydrophobicContact CG-CG2 4.35Å; Y30-V34 VanDerWaalsContact O-CB 3.31Å; Y30-V34 WeakPolarHBondContact O-CB 3.12Å; Y30-V34 WeakPolarHBondContact O-CG2 3.48Å; Y30-V34 PolarHBondContact O-N 3.43Å; Y30-F35 HydrophobicContact CE1-CE2 4.44Å; Y30-F55 HydrophobicContact CD2-CD1 4.46Å; Y30-F55 AromaticContact CD2-CE1 3.57Å; Y30-F55 HydrophobicContact CD2-CE1 3.57Å; Y30-F55 HydrophobicContact CD2-CZ 4.36Å; Y30-F55 HydrophobicContact CE2-CE1 4.09Å; Y30-F55 HydrophobicContact CG-CE1 4.23Å; Y30-H56 AromaticContact CE2-NE2 3.84Å; Y30-H56 AromaticContact CZ-NE2 3.82Å; Y30-H56 PolarHBondContact OH-NE2 3.1Å; Y30-F59 HydrophobicContact CD2-CD1 4.12Å; Y30-F59 AromaticContact CD2-CD2 3.9Å; Y30-F59 HydrophobicContact CD2-CD2 3.9Å; Y30-F59 HydrophobicContact CD2-CE1 4.1Å; Y30-F59 AromaticContact CD2-CE2 3.85Å; Y30-F59 HydrophobicContact CD2-CE2 3.85Å; Y30-F59 HydrophobicContact CD2-CG 4.03Å; Y30-F59 AromaticContact CD2-CZ 3.97Å; Y30-F59 HydrophobicContact CD2-CZ 3.97Å; Y30-F59 HydrophobicContact CE2-CD1 4.3Å; Y30-F59 HydrophobicContact CE2-CE1 4.37Å; Y30-F59 HydrophobicContact CG-CE2 4.31Å; Y30-F59 HydrophobicContact CG-CZ 4.47Å
31Y93.1Very high90.7Very high99 Ų9946.1 Ų46.139%0.38823%0.232SC..Hα-helixtrans-57.4-51.9175.8168.2-93.4000111.6L27 W28 Y33 F35 E36L27-Y31 PolarHBondContact O-N 2.96Å; W28-Y31 WeakPolarHBondContact O-CB 3.3Å; W28-Y31 PolarHBondContact O-N 2.92Å; Y31-Y33 PolarHBondContact O-N 3.29Å; Y31-F35 HydrophobicContact CD2-CB 4.33Å; Y31-F35 AromaticContact CD2-CD2 3.83Å; Y31-F35 HydrophobicContact CD2-CD2 3.83Å; Y31-F35 HydrophobicContact CD2-CE2 4.46Å; Y31-F35 HydrophobicContact CD2-CG 4.21Å; Y31-F35 HydrophobicContact CE2-CB 4.17Å; Y31-F35 HydrophobicContact CE2-CD2 4.37Å; Y31-F35 HydrophobicContact CE2-CG 4.29Å; Y31-F35 WeakPolarHBondContact O-CB 3.46Å; Y31-F35 PolarHBondContact O-N 3.35Å; Y31-E36 HydrophobicContact CE1-CG 3.98Å; Y31-E36 PolarHBondContact OH-OE1 3.28Å
32A91.2Very high90.2Very high1 Ų142.3 Ų42.31%0.00821%0.212CC..Iπ-helixtrans-62.8-40.4-178.200000112.1W28 E36 L37 H206 L210W28-A32 HydrophobicContact CZ2-CB 4.33Å; W28-A32 WeakPolarHBondContact O-CB 3.4Å; W28-A32 PolarHBondContact O-N 3.09Å; A32-E36 VanDerWaalsContact O-CB 3.28Å; A32-E36 WeakPolarHBondContact O-CB 3.22Å; A32-E36 PolarHBondContact O-N 2.92Å; A32-L37 PolarHBondContact O-N 3.13Å; A32-L37 VanDerWaalsContact O-N 3.08Å; A32-H206 HydrophobicContact CB-CB 4.26Å; A32-L210 HydrophobicContact CB-CD1 4.19Å; A32-L210 HydrophobicContact CB-CD2 4.42Å
33Y90.9Very high89.6Confident0 Ų047.1 Ų47.10%025%0.248CC..Iπ-helixtrans-74.1-45-179.4-166.6-91000112.8S29 Y30 Y31 L37 C38 F55 F181 I182 T185 L210S29-Y33 VanDerWaalsContact O-CB 3.24Å; S29-Y33 WeakPolarHBondContact O-CB 3.31Å; S29-Y33 PolarHBondContact O-N 3.45Å; Y30-Y33 PolarHBondContact O-N 3.16Å; Y31-Y33 PolarHBondContact O-N 3.29Å; Y33-L37 HydrophobicContact CD2-CD2 3.83Å; Y33-L37 HydrophobicContact CE2-CD2 3.56Å; Y33-L37 WeakPolarHBondContact O-CB 3.41Å; Y33-C38 VanDerWaalsContact CE1-SG 3.59Å; Y33-C38 PolarHBondContact O-N 3.41Å; Y33-C38 PolarHBondContact O-SG 3.47Å; Y33-F55 HydrophobicContact CD1-CB 3.99Å; Y33-F55 AromaticContact CD1-CD1 3.72Å; Y33-F55 HydrophobicContact CD1-CD1 3.72Å; Y33-F55 AromaticContact CD1-CD2 3.26Å; Y33-F55 HydrophobicContact CD1-CD2 3.26Å; Y33-F55 AromaticContact CD1-CE1 3.94Å; Y33-F55 HydrophobicContact CD1-CE1 3.94Å; Y33-F55 AromaticContact CD1-CE2 3.52Å; Y33-F55 HydrophobicContact CD1-CE2 3.52Å; Y33-F55 AromaticContact CD1-CG 3.37Å; Y33-F55 HydrophobicContact CD1-CG 3.37Å; Y33-F55 AromaticContact CD1-CZ 3.85Å; Y33-F55 HydrophobicContact CD1-CZ 3.85Å; Y33-F55 HydrophobicContact CD2-CD2 4.27Å; Y33-F55 HydrophobicContact CD2-CE2 4.12Å; Y33-F55 HydrophobicContact CE1-CB 3.63Å; Y33-F55 HydrophobicContact CE1-CD1 4.26Å; Y33-F55 AromaticContact CE1-CD2 3.46Å; Y33-F55 HydrophobicContact CE1-CD2 3.46Å; Y33-F55 VanDerWaalsContact CE1-CD2 3.46Å; Y33-F55 HydrophobicContact CE1-CE2 4.15Å; Y33-F55 AromaticContact CE1-CG 3.52Å; Y33-F55 HydrophobicContact CE1-CG 3.52Å; Y33-F55 HydrophobicContact CE2-CD2 4.42Å; Y33-F55 AromaticContact CG-CD2 3.71Å; Y33-F55 HydrophobicContact CG-CD2 3.71Å; Y33-F55 HydrophobicContact CG-CE1 4.36Å; Y33-F55 AromaticContact CG-CE2 3.5Å; Y33-F55 HydrophobicContact CG-CE2 3.5Å; Y33-F55 VanDerWaalsContact CG-CE2 3.5Å; Y33-F55 HydrophobicContact CG-CG 4.23Å; Y33-F55 AromaticContact CG-CZ 3.86Å; Y33-F55 HydrophobicContact CG-CZ 3.86Å; Y33-F181 HydrophobicContact CE1-CE1 4.1Å; Y33-F181 HydrophobicContact CE2-CE1 4.48Å; Y33-F181 AromaticContact CZ-CE1 3.68Å; Y33-F181 WeakPolarHBondContact OH-CE1 3.48Å; Y33-I182 HydrophobicContact CD2-CG1 4.27Å; Y33-T185 VanDerWaalsContact CE2-OG1 3.27Å; Y33-T185 WeakPolarHBondContact CE2-OG1 3.13Å; Y33-T185 PolarHBondContact OH-OG1 3.05Å; Y33-T185 VanDerWaalsContact OH-OG1 3.11Å; Y33-L210 HydrophobicContact CD2-CD2 4.11Å
34V92Very high89.4Confident12 Ų1248.5 Ų48.57%0.07325%0.253CS..Iπ-helixtrans-76.6-50.2-174.8174.30000110.9Y30 C38 L39 L52 F55Y30-V34 HydrophobicContact CD1-CG2 4.24Å; Y30-V34 HydrophobicContact CD2-CG2 4.24Å; Y30-V34 HydrophobicContact CE1-CB 4.35Å; Y30-V34 HydrophobicContact CE1-CG2 4Å; Y30-V34 HydrophobicContact CE2-CG2 3.99Å; Y30-V34 HydrophobicContact CG-CG2 4.35Å; Y30-V34 VanDerWaalsContact O-CB 3.31Å; Y30-V34 WeakPolarHBondContact O-CB 3.12Å; Y30-V34 WeakPolarHBondContact O-CG2 3.48Å; Y30-V34 PolarHBondContact O-N 3.43Å; V34-C38 WeakPolarHBondContact O-CB 3.44Å; V34-C38 PolarHBondContact O-N 3.34Å; V34-L39 WeakPolarHBondContact O-CG 3.2Å; V34-L39 PolarHBondContact O-N 2.89Å; V34-L52 HydrophobicContact CB-CD2 4.34Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG2-CD2 4.09Å; V34-F55 HydrophobicContact CG2-CD1 3.91Å; V34-F55 HydrophobicContact CG2-CE1 3.73Å
35F89.2Confident89.1Confident85 Ų8551 Ų5137%0.37326%0.262SS..Iπ-helixtrans-85.9-55.5-173.1-63.9-94.4000111.6Y30 Y31 L39 F40Y30-F35 HydrophobicContact CE1-CE2 4.44Å; Y31-F35 HydrophobicContact CD2-CB 4.33Å; Y31-F35 AromaticContact CD2-CD2 3.83Å; Y31-F35 HydrophobicContact CD2-CD2 3.83Å; Y31-F35 HydrophobicContact CD2-CE2 4.46Å; Y31-F35 HydrophobicContact CD2-CG 4.21Å; Y31-F35 HydrophobicContact CE2-CB 4.17Å; Y31-F35 HydrophobicContact CE2-CD2 4.37Å; Y31-F35 HydrophobicContact CE2-CG 4.29Å; Y31-F35 WeakPolarHBondContact O-CB 3.46Å; Y31-F35 PolarHBondContact O-N 3.35Å; F35-L39 HydrophobicContact CD1-CD1 3.6Å; F35-L39 HydrophobicContact CE1-CD1 4.08Å; F35-L39 HydrophobicContact CG-CD1 4.27Å; F35-L39 WeakPolarHBondContact O-CB 3.49Å; F35-L39 PolarHBondContact O-N 3.36Å; F35-F40 WeakPolarHBondContact O-CD2 3.36Å; F35-F40 PolarHBondContact O-N 2.86Å; F35-F40 VanDerWaalsContact O-N 3.12Å
36E87Confident88.9Confident15 Ų1555.2 Ų55.27%0.0728%0.283CS..Iπ-helixtrans-69.6-47.9-175.1-54.9-69.116200112Y31 A32 T41 A203 H206Y31-E36 HydrophobicContact CE1-CG 3.98Å; Y31-E36 PolarHBondContact OH-OE1 3.28Å; A32-E36 VanDerWaalsContact O-CB 3.28Å; A32-E36 WeakPolarHBondContact O-CB 3.22Å; A32-E36 PolarHBondContact O-N 2.92Å; E36-T41 PolarHBondContact O-N 3Å; E36-T41 PolarHBondContact O-OG1 2.94Å; E36-A203 HydrophobicContact CB-CB 4.37Å; E36-H206 HydrophobicContact CB-CB 4.41Å; E36-H206 HydrophobicContact CG-CB 4.07Å; E36-H206 IonicContact OE1-CD2 3.88Å
37L84.9Confident88.6Confident0 Ų056.7 Ų56.70%029%0.289CS..Iπ-helixtrans-79.5-67.1179.8-171.171.8000111.2A32 Y33 L39 T41 I42 V186 Y189 I207A32-L37 PolarHBondContact O-N 3.13Å; A32-L37 VanDerWaalsContact O-N 3.08Å; Y33-L37 HydrophobicContact CD2-CD2 3.83Å; Y33-L37 HydrophobicContact CE2-CD2 3.56Å; Y33-L37 WeakPolarHBondContact O-CB 3.41Å; L37-L39 PolarHBondContact O-N 3.14Å; L37-T41 HydrophobicContact CD1-CG2 4.45Å; L37-T41 WeakPolarHBondContact O-CA 3.32Å; L37-T41 VanDerWaalsContact O-CB 3.25Å; L37-T41 WeakPolarHBondContact O-CB 3.46Å; L37-T41 PolarHBondContact O-N 3.23Å; L37-I42 HydrophobicContact CG-CD1 4.45Å; L37-I42 WeakPolarHBondContact O-CG1 3.48Å; L37-I42 PolarHBondContact O-N 2.8Å; L37-I42 VanDerWaalsContact O-N 3.1Å; L37-V186 HydrophobicContact CD2-CG2 4.11Å; L37-Y189 HydrophobicContact CD1-CD1 4.06Å; L37-Y189 HydrophobicContact CD1-CD2 3.76Å; L37-Y189 HydrophobicContact CD1-CE2 4.39Å; L37-Y189 HydrophobicContact CD1-CG 3.6Å; L37-I207 HydrophobicContact CD1-CD1 3.84Å; L37-I207 HydrophobicContact CD1-CG1 4.27Å
38C85.9Confident88.4Confident0 Ų054.4 Ų54.40%027%0.274CS..Iπ-helixtrans-71.3-33.7-168.8-61.60000114.8Y33 V34 K48 L52Y33-C38 VanDerWaalsContact CE1-SG 3.59Å; Y33-C38 PolarHBondContact O-N 3.41Å; Y33-C38 PolarHBondContact O-SG 3.47Å; V34-C38 WeakPolarHBondContact O-CB 3.44Å; V34-C38 PolarHBondContact O-N 3.34Å; C38-K48 VanDerWaalsContact O-CD 3.26Å; C38-K48 WeakPolarHBondContact O-CD 3.19Å; C38-K48 WeakPolarHBondContact O-CE 3.15Å; C38-K48 WeakPolarHBondContact O-CG 3.37Å; C38-L52 HydrophobicContact CB-CD1 4.41Å; C38-L52 HydrophobicContact CB-CD2 3.75Å; C38-L52 HydrophobicContact CB-CG 3.97Å
39L83.9Confident88.2Confident73 Ų7354.3 Ų54.338%0.38229%0.286SS..Iπ-helixtrans-86.8-46.3179.1-64-178.7000112.8V34 F35 L37 K48V34-L39 WeakPolarHBondContact O-CG 3.2Å; V34-L39 PolarHBondContact O-N 2.89Å; F35-L39 HydrophobicContact CD1-CD1 3.6Å; F35-L39 HydrophobicContact CE1-CD1 4.08Å; F35-L39 HydrophobicContact CG-CD1 4.27Å; F35-L39 WeakPolarHBondContact O-CB 3.49Å; F35-L39 PolarHBondContact O-N 3.36Å; L37-L39 PolarHBondContact O-N 3.14Å; L39-K48 VanDerWaalsContact CD2-CE 3.46Å; L39-K48 VanDerWaalsContact CD2-NZ 3.26Å
40F82.8Confident88.2Confident150 Ų15057.5 Ų57.566%0.65831%0.305SS*.Iπ-helixtrans-93.8-28.4-172.5-63.4-49.5000114.9F35F35-F40 WeakPolarHBondContact O-CD2 3.36Å; F35-F40 PolarHBondContact O-N 2.86Å; F35-F40 VanDerWaalsContact O-N 3.12Å
41T80Confident88.1Confident21 Ų2156.2 Ų56.213%0.12930%0.3CS..Iπ-helixtrans-99.4-38.6-174.2-51.10000112.7E36 L37 S43 Y189 F193 L198E36-T41 PolarHBondContact O-N 3Å; E36-T41 PolarHBondContact O-OG1 2.94Å; L37-T41 HydrophobicContact CD1-CG2 4.45Å; L37-T41 WeakPolarHBondContact O-CA 3.32Å; L37-T41 VanDerWaalsContact O-CB 3.25Å; L37-T41 WeakPolarHBondContact O-CB 3.46Å; L37-T41 PolarHBondContact O-N 3.23Å; T41-S43 PolarHBondContact O-N 3.18Å; T41-Y189 HydrophobicContact CG2-CD1 3.7Å; T41-Y189 HydrophobicContact CG2-CE1 4.19Å; T41-F193 HydrophobicContact CG2-CE2 4.32Å; T41-F193 HydrophobicContact CG2-CZ 4.33Å; T41-L198 HydrophobicContact CG2-CD1 3.74Å; T41-L198 HydrophobicContact CG2-CD2 4.41Å
42I84Confident88Confident9 Ų953.2 Ų53.25%0.04629%0.291CS..  trans-84.6114.3-177.6-51.7-173000110.5L37 E47 K48 Y51 Y189L37-I42 HydrophobicContact CG-CD1 4.45Å; L37-I42 WeakPolarHBondContact O-CG1 3.48Å; L37-I42 PolarHBondContact O-N 2.8Å; L37-I42 VanDerWaalsContact O-N 3.1Å; I42-E47 HydrophobicContact CG2-CB 4.38Å; I42-E47 HydrophobicContact CG2-CG 4.45Å; I42-K48 HydrophobicContact CG2-CB 4.04Å; I42-Y51 HydrophobicContact CD1-CD2 3.67Å; I42-Y51 HydrophobicContact CD1-CE2 4.2Å; I42-Y189 HydrophobicContact CD1-CE1 4.47Å; I42-Y189 HydrophobicContact CD1-CE2 4.21Å; I42-Y189 WeakPolarHBondContact CD1-OH 3.33Å; I42-Y189 HydrophobicContact CG1-CE1 3.81Å; I42-Y189 HydrophobicContact CG1-CE2 4.42Å; I42-Y189 VanDerWaalsContact CG1-OH 3.3Å; I42-Y189 WeakPolarHBondContact CG1-OH 3.06Å
43S81.4Confident88.2Confident121 Ų12159 Ų5985%0.84632%0.321SS*.  trans-83.8-31.8175.754.80000113.3T41 T45T41-S43 PolarHBondContact O-N 3.18Å; S43-T45 PolarHBondContact O-N 3.01Å
44N89.6Confident88.4Confident83 Ų8361.7 Ų61.744%0.44434%0.337SS..  trans-74.5118.4-178-172.7-10.3000111.7L46 E47 K48N44-L46 PolarHBondContact O-N 3.44Å; N44-L46 PolarHBondContact OD1-N 2.91Å; N44-L46 VanDerWaalsContact OD1-N 3.16Å; N44-E47 HydrophobicContact CB-CB 4.1Å; N44-K48 VanDerWaalsContact O-CB 3.23Å; N44-K48 WeakPolarHBondContact O-CB 3.29Å; N44-K48 PolarHBondContact O-N 3.43Å
45T89.5Confident88.5Confident110 Ų11061.1 Ų61.168%0.67533%0.333SS*.Hα-helixtrans-65-36.7-176.7-44.20000113.2S43 A49S43-T45 PolarHBondContact O-N 3.01Å; T45-A49 WeakPolarHBondContact O-CB 3.41Å; T45-A49 PolarHBondContact O-N 2.81Å
46L90.8Very high88.7Confident130 Ų13060.8 Ų60.868%0.68133%0.333SS*.Hα-helixtrans-69.7-48.4-178.7-178.566.5000111N44 K48 A49 V50N44-L46 PolarHBondContact O-N 3.44Å; N44-L46 PolarHBondContact OD1-N 2.91Å; N44-L46 VanDerWaalsContact OD1-N 3.16Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-A49 PolarHBondContact O-N 2.9Å; L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.35Å
47E87.6Confident89.1Confident49 Ų4964.3 Ų64.323%0.22936%0.355CS..Hα-helixtrans-59.5-45.2177.5-174.3-179.6169.100111I42 N44 A49 V50 Y51 Y189I42-E47 HydrophobicContact CG2-CB 4.38Å; I42-E47 HydrophobicContact CG2-CG 4.45Å; N44-E47 HydrophobicContact CB-CB 4.1Å; E47-A49 PolarHBondContact O-N 2.84Å; E47-V50 PolarHBondContact O-N 2.8Å; E47-Y51 HydrophobicContact CG-CD2 4.16Å; E47-Y51 HydrophobicContact CG-CE1 4.4Å; E47-Y51 HydrophobicContact CG-CE2 3.84Å; E47-Y51 WeakPolarHBondContact O-CB 3.22Å; E47-Y51 PolarHBondContact O-N 3.03Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.37Å; E47-Y189 VanDerWaalsContact CD-OH 3.29Å; E47-Y189 PolarHBondContact OE1-OH 3.33Å
48K89.6Confident89.6Confident54 Ų5464.9 Ų64.924%0.23536%0.359CS..Hα-helixtrans-56.5-47.3174.6176.4177.9-179.6168.30112.5C38 L39 I42 N44 L46 L52C38-K48 VanDerWaalsContact O-CD 3.26Å; C38-K48 WeakPolarHBondContact O-CD 3.19Å; C38-K48 WeakPolarHBondContact O-CE 3.15Å; C38-K48 WeakPolarHBondContact O-CG 3.37Å; L39-K48 VanDerWaalsContact CD2-CE 3.46Å; L39-K48 VanDerWaalsContact CD2-NZ 3.26Å; I42-K48 HydrophobicContact CG2-CB 4.04Å; N44-K48 VanDerWaalsContact O-CB 3.23Å; N44-K48 WeakPolarHBondContact O-CB 3.29Å; N44-K48 PolarHBondContact O-N 3.43Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-L52 HydrophobicContact CG-CD1 3.94Å; K48-L52 WeakPolarHBondContact O-CB 3.47Å; K48-L52 VanDerWaalsContact O-CG 3.27Å; K48-L52 WeakPolarHBondContact O-CG 3.02Å; K48-L52 PolarHBondContact O-N 3.15Å
49A91.5Very high90.1Very high56 Ų5666.8 Ų66.846%0.46337%0.367SS..Hα-helixtrans-63.8-42.6179.600000111.7T45 L46 E47 L53T45-A49 WeakPolarHBondContact O-CB 3.41Å; T45-A49 PolarHBondContact O-N 2.81Å; L46-A49 PolarHBondContact O-N 2.9Å; E47-A49 PolarHBondContact O-N 2.84Å; A49-L53 WeakPolarHBondContact O-CB 3.34Å; A49-L53 PolarHBondContact O-N 2.96Å
50V92.4Very high90.6Very high74 Ų7465 Ų6545%0.44837%0.366SS..Hα-helixtrans-64.7-48.2178.1173.10000111.1L46 E47 L53 V54L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.35Å; E47-V50 PolarHBondContact O-N 2.8Å; V50-L53 PolarHBondContact O-N 2.85Å; V50-V54 HydrophobicContact CG1-CG2 4.47Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.31Å
51Y92.3Very high91.2Very high39 Ų3959.5 Ų59.515%0.15334%0.343CS..Hα-helixtrans-64.2-42.5179.7-75.3-0.6000112.3I42 E47 F55 F181 T185 Y189I42-Y51 HydrophobicContact CD1-CD2 3.67Å; I42-Y51 HydrophobicContact CD1-CE2 4.2Å; E47-Y51 HydrophobicContact CG-CD2 4.16Å; E47-Y51 HydrophobicContact CG-CE1 4.4Å; E47-Y51 HydrophobicContact CG-CE2 3.84Å; E47-Y51 WeakPolarHBondContact O-CB 3.22Å; E47-Y51 PolarHBondContact O-N 3.03Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.37Å; Y51-F55 WeakPolarHBondContact O-CB 3.42Å; Y51-F55 PolarHBondContact O-N 3.08Å; Y51-F181 HydrophobicContact CD1-CZ 4.49Å; Y51-T185 HydrophobicContact CD1-CG2 4.27Å; Y51-T185 HydrophobicContact CD2-CG2 4.28Å; Y51-T185 HydrophobicContact CE1-CG2 3.95Å; Y51-T185 HydrophobicContact CE2-CG2 3.97Å; Y51-T185 HydrophobicContact CG-CG2 4.43Å; Y51-Y189 HydrophobicContact CE2-CE2 4.13Å
52L92.7Very high91.9Very high36 Ų3659 Ų5919%0.18834%0.339CS..Hα-helixtrans-61.7-46.3174.8-74.3172.4000111.3V34 C38 K48 F55 H56V34-L52 HydrophobicContact CB-CD2 4.34Å; V34-L52 HydrophobicContact CG1-CD2 3.94Å; V34-L52 HydrophobicContact CG2-CD2 4.09Å; C38-L52 HydrophobicContact CB-CD1 4.41Å; C38-L52 HydrophobicContact CB-CD2 3.75Å; C38-L52 HydrophobicContact CB-CG 3.97Å; K48-L52 HydrophobicContact CG-CD1 3.94Å; K48-L52 WeakPolarHBondContact O-CB 3.47Å; K48-L52 VanDerWaalsContact O-CG 3.27Å; K48-L52 WeakPolarHBondContact O-CG 3.02Å; K48-L52 PolarHBondContact O-N 3.15Å; L52-F55 PolarHBondContact O-N 3.36Å; L52-H56 WeakPolarHBondContact O-CB 3.23Å; L52-H56 PolarHBondContact O-N 3.41Å; L52-H56 PolarHBondContact O-ND1 2.92Å
53L94.4Very high92.5Very high122 Ų12260.5 Ų60.564%0.63935%0.351SS*.Hα-helixtrans-59.7-51.9-179.8-178.267.3000111.5A49 V50 F55 H56 V57A49-L53 WeakPolarHBondContact O-CB 3.34Å; A49-L53 PolarHBondContact O-N 2.96Å; V50-L53 PolarHBondContact O-N 2.85Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 3.03Å; L53-H56 PolarHBondContact O-N 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.09Å; L53-V57 PolarHBondContact O-N 3.4Å; L53-V57 VanDerWaalsContact O-N 3.11Å
54V94.3Very high93.2Very high56 Ų5660.5 Ų60.534%0.33933%0.332SS..Hα-helixtrans-64.5-42-178.9178.60000110.8V50 H56 V57 C58 F181V50-V54 HydrophobicContact CG1-CG2 4.47Å; V50-V54 WeakPolarHBondContact O-CG2 3.46Å; V50-V54 PolarHBondContact O-N 3.31Å; V54-H56 PolarHBondContact O-N 2.88Å; V54-V57 PolarHBondContact O-N 3.44Å; V54-C58 PolarHBondContact O-N 3.38Å; V54-C58 PolarHBondContact O-SG 2.95Å; V54-F181 HydrophobicContact CB-CE2 3.83Å; V54-F181 HydrophobicContact CB-CZ 3.82Å; V54-F181 HydrophobicContact CG1-CD2 3.79Å; V54-F181 HydrophobicContact CG1-CE2 3.31Å; V54-F181 HydrophobicContact CG1-CZ 3.73Å
55F94.4Very high93.5Very high0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-59-45.1177.1-176.1-103.1000112.3Y30 Y33 V34 Y51 L52 L53 V57 C58 F59 Y178 F181 I182Y30-F55 HydrophobicContact CD2-CD1 4.46Å; Y30-F55 AromaticContact CD2-CE1 3.57Å; Y30-F55 HydrophobicContact CD2-CE1 3.57Å; Y30-F55 HydrophobicContact CD2-CZ 4.36Å; Y30-F55 HydrophobicContact CE2-CE1 4.09Å; Y30-F55 HydrophobicContact CG-CE1 4.23Å; Y33-F55 HydrophobicContact CD1-CB 3.99Å; Y33-F55 AromaticContact CD1-CD1 3.72Å; Y33-F55 HydrophobicContact CD1-CD1 3.72Å; Y33-F55 AromaticContact CD1-CD2 3.26Å; Y33-F55 HydrophobicContact CD1-CD2 3.26Å; Y33-F55 AromaticContact CD1-CE1 3.94Å; Y33-F55 HydrophobicContact CD1-CE1 3.94Å; Y33-F55 AromaticContact CD1-CE2 3.52Å; Y33-F55 HydrophobicContact CD1-CE2 3.52Å; Y33-F55 AromaticContact CD1-CG 3.37Å; Y33-F55 HydrophobicContact CD1-CG 3.37Å; Y33-F55 AromaticContact CD1-CZ 3.85Å; Y33-F55 HydrophobicContact CD1-CZ 3.85Å; Y33-F55 HydrophobicContact CD2-CD2 4.27Å; Y33-F55 HydrophobicContact CD2-CE2 4.12Å; Y33-F55 HydrophobicContact CE1-CB 3.63Å; Y33-F55 HydrophobicContact CE1-CD1 4.26Å; Y33-F55 AromaticContact CE1-CD2 3.46Å; Y33-F55 HydrophobicContact CE1-CD2 3.46Å; Y33-F55 VanDerWaalsContact CE1-CD2 3.46Å; Y33-F55 HydrophobicContact CE1-CE2 4.15Å; Y33-F55 AromaticContact CE1-CG 3.52Å; Y33-F55 HydrophobicContact CE1-CG 3.52Å; Y33-F55 HydrophobicContact CE2-CD2 4.42Å; Y33-F55 AromaticContact CG-CD2 3.71Å; Y33-F55 HydrophobicContact CG-CD2 3.71Å; Y33-F55 HydrophobicContact CG-CE1 4.36Å; Y33-F55 AromaticContact CG-CE2 3.5Å; Y33-F55 HydrophobicContact CG-CE2 3.5Å; Y33-F55 VanDerWaalsContact CG-CE2 3.5Å; Y33-F55 HydrophobicContact CG-CG 4.23Å; Y33-F55 AromaticContact CG-CZ 3.86Å; Y33-F55 HydrophobicContact CG-CZ 3.86Å; V34-F55 HydrophobicContact CG2-CD1 3.91Å; V34-F55 HydrophobicContact CG2-CE1 3.73Å; Y51-F55 WeakPolarHBondContact O-CB 3.42Å; Y51-F55 PolarHBondContact O-N 3.08Å; L52-F55 PolarHBondContact O-N 3.36Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 3.03Å; F55-V57 VanDerWaalsContact C-N 3.35Å; F55-V57 PolarHBondContact O-N 3.44Å; F55-C58 PolarHBondContact O-N 2.96Å; F55-F59 VanDerWaalsContact O-CB 3.22Å; F55-F59 WeakPolarHBondContact O-CB 3.41Å; F55-F59 PolarHBondContact O-N 3.47Å; F55-Y178 HydrophobicContact CD2-CE2 4.1Å; F55-Y178 HydrophobicContact CE2-CD2 4.38Å; F55-Y178 AromaticContact CE2-CE2 3.41Å; F55-Y178 HydrophobicContact CE2-CE2 3.41Å; F55-Y178 VanDerWaalsContact CE2-CE2 3.41Å; F55-Y178 AromaticContact CE2-CZ 3.8Å; F55-Y178 AromaticContact CZ-CE2 3.78Å; F55-Y178 HydrophobicContact CZ-CE2 3.78Å; F55-Y178 AromaticContact CZ-CZ 3.95Å; F55-Y178 VanDerWaalsContact CZ-OH 3.27Å; F55-Y178 WeakPolarHBondContact CZ-OH 3.14Å; F55-F181 HydrophobicContact CB-CE1 3.82Å; F55-F181 HydrophobicContact CD2-CD1 4.14Å; F55-F181 HydrophobicContact CD2-CE1 4.03Å; F55-F181 HydrophobicContact CG-CE1 4.45Å; F55-I182 HydrophobicContact CE2-CD1 4.19Å; F55-I182 HydrophobicContact CE2-CG1 4.1Å
56H94.8Very high93.9Very high78 Ų7852 Ų5236%0.36128%0.282SS..Hα-helixtrans-66.5-36.3179-7776.1000112.3Y30 L52 L53 V54 G60Y30-H56 AromaticContact CE2-NE2 3.84Å; Y30-H56 AromaticContact CZ-NE2 3.82Å; Y30-H56 PolarHBondContact OH-NE2 3.1Å; L52-H56 WeakPolarHBondContact O-CB 3.23Å; L52-H56 PolarHBondContact O-N 3.41Å; L52-H56 PolarHBondContact O-ND1 2.92Å; L53-H56 PolarHBondContact O-N 3.27Å; V54-H56 PolarHBondContact O-N 2.88Å; H56-G60 PolarHBondContact O-N 3.04Å
57V95.3Very high94.1Very high89 Ų8953.2 Ų53.254%0.53928%0.277SS..Hα-helixtrans-63.4-48.4173.5172.60000110.4L53 V54 F55 G60 M61L53-V57 WeakPolarHBondContact O-CG2 3.09Å; L53-V57 PolarHBondContact O-N 3.4Å; L53-V57 VanDerWaalsContact O-N 3.11Å; V54-V57 PolarHBondContact O-N 3.44Å; F55-V57 VanDerWaalsContact C-N 3.35Å; F55-V57 PolarHBondContact O-N 3.44Å; V57-G60 PolarHBondContact O-N 3.32Å; V57-M61 WeakPolarHBondContact O-CG 3.29Å; V57-M61 PolarHBondContact O-N 3.2Å
58C94.8Very high94.5Very high12 Ų1254 Ų548%0.08128%0.28CS..Hα-helixtrans-61.7-45.5177-69.60000112V54 F55 M61 F62 Y178V54-C58 PolarHBondContact O-N 3.38Å; V54-C58 PolarHBondContact O-SG 2.95Å; F55-C58 PolarHBondContact O-N 2.96Å; C58-M61 PolarHBondContact O-N 3.44Å; C58-F62 VanDerWaalsContact O-CB 3.27Å; C58-F62 WeakPolarHBondContact O-CB 3.32Å; C58-F62 PolarHBondContact O-N 2.87Å; C58-Y178 HydrophobicContact CB-CD2 4.21Å
59F95.2Very high94.8Very high40 Ų4051.4 Ų51.418%0.17527%0.269CS..Hα-helixtrans-63.5-42.6178.4179.2-94.9000112.2V26 Y30 F55 S63 Y178V26-F59 HydrophobicContact CG1-CD2 4.25Å; V26-F59 HydrophobicContact CG1-CE2 3.55Å; V26-F59 HydrophobicContact CG1-CZ 4.39Å; Y30-F59 HydrophobicContact CD2-CD1 4.12Å; Y30-F59 AromaticContact CD2-CD2 3.9Å; Y30-F59 HydrophobicContact CD2-CD2 3.9Å; Y30-F59 HydrophobicContact CD2-CE1 4.1Å; Y30-F59 AromaticContact CD2-CE2 3.85Å; Y30-F59 HydrophobicContact CD2-CE2 3.85Å; Y30-F59 HydrophobicContact CD2-CG 4.03Å; Y30-F59 AromaticContact CD2-CZ 3.97Å; Y30-F59 HydrophobicContact CD2-CZ 3.97Å; Y30-F59 HydrophobicContact CE2-CD1 4.3Å; Y30-F59 HydrophobicContact CE2-CE1 4.37Å; Y30-F59 HydrophobicContact CG-CE2 4.31Å; Y30-F59 HydrophobicContact CG-CZ 4.47Å; F55-F59 VanDerWaalsContact O-CB 3.22Å; F55-F59 WeakPolarHBondContact O-CB 3.41Å; F55-F59 PolarHBondContact O-N 3.47Å; F59-S63 VanDerWaalsContact O-CB 3.27Å; F59-S63 WeakPolarHBondContact O-CB 3.5Å; F59-S63 PolarHBondContact O-N 3.15Å; F59-S63 PolarHBondContact O-OG 2.61Å; F59-Y178 HydrophobicContact CB-CE2 4.28Å; F59-Y178 HydrophobicContact CD2-CE2 4.29Å
60G95.5Very high94.9Very high35 Ų3549.5 Ų49.536%0.36125%0.25SS..Hα-helixtrans-62.7-46.5176.500000111.9H56 V57 S63 W64H56-G60 PolarHBondContact O-N 3.04Å; V57-G60 PolarHBondContact O-N 3.32Å; G60-S63 PolarHBondContact O-N 2.76Å; G60-W64 VanDerWaalsContact O-CB 3.27Å; G60-W64 WeakPolarHBondContact O-CB 3.36Å; G60-W64 PolarHBondContact O-N 3.17Å
61M95.1Very high95.1Very high35 Ų3550.8 Ų50.817%0.17225%0.25CS..Hα-helixtrans-67.1-41.6177.5-69.9-56.6-67.900112.7V57 C58 W64 T65 Y174 F277V57-M61 WeakPolarHBondContact O-CG 3.29Å; V57-M61 PolarHBondContact O-N 3.2Å; C58-M61 PolarHBondContact O-N 3.44Å; M61-W64 PolarHBondContact O-N 2.98Å; M61-W64 HydrophobicContact SD-CE3 4.01Å; M61-W64 HydrophobicContact SD-CZ3 4.41Å; M61-T65 WeakPolarHBondContact O-CB 3.2Å; M61-T65 WeakPolarHBondContact O-CG2 3.31Å; M61-T65 PolarHBondContact O-N 2.9Å; M61-T65 PolarHBondContact O-OG1 2.91Å; M61-Y174 HydrophobicContact CB-CD1 3.75Å; M61-Y174 HydrophobicContact CB-CD2 4.39Å; M61-Y174 HydrophobicContact CB-CE1 3.8Å; M61-Y174 HydrophobicContact CB-CE2 4.43Å; M61-Y174 HydrophobicContact CB-CG 4.07Å; M61-Y174 HydrophobicContact CE-CE1 4.24Å; M61-Y174 HydrophobicContact CE-CE2 3.75Å; M61-Y174 WeakPolarHBondContact CE-OH 3.44Å; M61-Y174 HydrophobicContact CG-CE1 4.15Å; M61-F277 WeakPolarHBondContact CE-O 3.37Å
62F95.8Very high95.3Very high11 Ų1149.8 Ų49.85%0.04825%0.248CC..Hα-helixtrans-57.7-51.4172.5170.4-88.2000110.9V26 C58 W64 T65 Y66 F171 S175V26-F62 HydrophobicContact CB-CE1 4.25Å; V26-F62 HydrophobicContact CG1-CD1 4.24Å; V26-F62 HydrophobicContact CG1-CE1 3.79Å; V26-F62 HydrophobicContact CG2-CE1 3.47Å; V26-F62 VanDerWaalsContact CG2-CE1 3.47Å; V26-F62 HydrophobicContact CG2-CZ 3.58Å; C58-F62 VanDerWaalsContact O-CB 3.27Å; C58-F62 WeakPolarHBondContact O-CB 3.32Å; C58-F62 PolarHBondContact O-N 2.87Å; F62-W64 VanDerWaalsContact C-N 3.34Å; F62-W64 PolarHBondContact O-N 2.87Å; F62-T65 PolarHBondContact O-N 3.41Å; F62-T65 PolarHBondContact O-OG1 2.9Å; F62-Y66 VanDerWaalsContact O-CB 3.27Å; F62-Y66 WeakPolarHBondContact O-CB 3.31Å; F62-Y66 PolarHBondContact O-N 2.92Å; F62-F171 HydrophobicContact CD2-CE2 4.43Å; F62-F171 HydrophobicContact CE2-CD2 4.21Å; F62-F171 AromaticContact CE2-CE2 3.68Å; F62-F171 HydrophobicContact CE2-CE2 3.68Å; F62-F171 HydrophobicContact CZ-CE2 4.02Å; F62-S175 WeakPolarHBondContact CD2-OG 3.4Å; F62-S175 WeakPolarHBondContact CE2-OG 3.27Å
63S95.9Very high95.3Very high41 Ų4152.6 Ų52.629%0.28727%0.269SS..Hα-helixtrans-64.2-40.7-177.4-60.20000111.6F59 G60 W67F59-S63 VanDerWaalsContact O-CB 3.27Å; F59-S63 WeakPolarHBondContact O-CB 3.5Å; F59-S63 PolarHBondContact O-N 3.15Å; F59-S63 PolarHBondContact O-OG 2.61Å; G60-S63 PolarHBondContact O-N 2.76Å; S63-W67 VanDerWaalsContact O-CB 3.24Å; S63-W67 WeakPolarHBondContact O-CB 3.47Å; S63-W67 PolarHBondContact O-N 3.49Å
64W96.2Very high95.3Very high120 Ų12048 Ų4846%0.45525%0.246SC..Hα-helixtrans-65.6-45.9178.5-171.58.7000111.9G60 M61 F62 W67 K68 I278 P279G60-W64 VanDerWaalsContact O-CB 3.27Å; G60-W64 WeakPolarHBondContact O-CB 3.36Å; G60-W64 PolarHBondContact O-N 3.17Å; M61-W64 PolarHBondContact O-N 2.98Å; M61-W64 HydrophobicContact SD-CE3 4.01Å; M61-W64 HydrophobicContact SD-CZ3 4.41Å; F62-W64 VanDerWaalsContact C-N 3.34Å; F62-W64 PolarHBondContact O-N 2.87Å; W64-W67 PolarHBondContact O-N 2.57Å; W64-K68 WeakPolarHBondContact O-CB 3.45Å; W64-K68 VanDerWaalsContact O-CG 3.31Å; W64-K68 WeakPolarHBondContact O-CG 3.18Å; W64-K68 PolarHBondContact O-N 3.33Å; W64-I278 HydrophobicContact CH2-CG2 3.96Å; W64-I278 HydrophobicContact CZ3-CG2 4.35Å; W64-P279 HydrophobicContact CB-CG 4.35Å; W64-P279 HydrophobicContact CD2-CG 3.35Å; W64-P279 VanDerWaalsContact CE2-CG 3.48Å; W64-P279 HydrophobicContact CE3-CG 3.83Å; W64-P279 HydrophobicContact CG-CG 3.58Å; W64-P279 HydrophobicContact CH2-CG 4.46Å; W64-P279 HydrophobicContact CZ2-CG 4.05Å; W64-P279 HydrophobicContact CZ3-CG 4.36Å
65T96.5Very high95.3Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-69.1-36.7179.456.30000112.2M61 F62 S69 L170 Y174 P279M61-T65 WeakPolarHBondContact O-CB 3.2Å; M61-T65 WeakPolarHBondContact O-CG2 3.31Å; M61-T65 PolarHBondContact O-N 2.9Å; M61-T65 PolarHBondContact O-OG1 2.91Å; F62-T65 PolarHBondContact O-N 3.41Å; F62-T65 PolarHBondContact O-OG1 2.9Å; T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 3.17Å; T65-S69 PolarHBondContact O-OG 3.27Å; T65-L170 HydrophobicContact CG2-CB 3.87Å; T65-Y174 HydrophobicContact CG2-CD2 3.64Å; T65-Y174 HydrophobicContact CG2-CE2 4Å; T65-P279 HydrophobicContact CG2-CB 3.75Å; T65-P279 HydrophobicContact CG2-CG 3.95Å
66Y96.3Very high95.3Very high16 Ų1650.1 Ų50.16%0.06326%0.262CS..Hα-helixtrans-64.7-48.2173.4-171.8-129.4000111.7V19 I22 F62 K68 S69 I70 W155 V156 F171V19-Y66 WeakPolarHBondContact CA-OH 3.46Å; I22-Y66 HydrophobicContact CG2-CE1 4Å; I22-Y66 HydrophobicContact CG2-CE2 4.36Å; F62-Y66 VanDerWaalsContact O-CB 3.27Å; F62-Y66 WeakPolarHBondContact O-CB 3.31Å; F62-Y66 PolarHBondContact O-N 2.92Å; Y66-K68 VanDerWaalsContact C-N 3.35Å; Y66-K68 PolarHBondContact O-N 3.14Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.77Å; Y66-S69 VanDerWaalsContact O-N 3.1Å; Y66-I70 HydrophobicContact CD1-CD1 3.8Å; Y66-I70 HydrophobicContact CD2-CD1 4.15Å; Y66-I70 HydrophobicContact CD2-CG1 4.49Å; Y66-I70 HydrophobicContact CE1-CD1 3.53Å; Y66-I70 HydrophobicContact CE2-CD1 3.91Å; Y66-I70 HydrophobicContact CE2-CG1 4.27Å; Y66-I70 HydrophobicContact CG-CD1 4.1Å; Y66-I70 WeakPolarHBondContact O-CG1 3.49Å; Y66-I70 PolarHBondContact O-N 3.37Å; Y66-W155 PolarHBondContact OH-O 2.96Å; Y66-V156 HydrophobicContact CD2-CG1 4.15Å; Y66-V156 HydrophobicContact CE2-CG1 3.81Å; Y66-F171 AromaticContact CD2-CD2 3.73Å; Y66-F171 HydrophobicContact CD2-CD2 3.73Å; Y66-F171 HydrophobicContact CD2-CE1 4.47Å; Y66-F171 AromaticContact CD2-CE2 3.35Å; Y66-F171 HydrophobicContact CD2-CE2 3.35Å; Y66-F171 HydrophobicContact CD2-CG 4.43Å; Y66-F171 AromaticContact CD2-CZ 3.77Å; Y66-F171 HydrophobicContact CD2-CZ 3.77Å; Y66-F171 HydrophobicContact CE2-CE2 4.04Å; Y66-F171 HydrophobicContact CE2-CZ 4.04Å; Y66-F171 HydrophobicContact CG-CD2 4.21Å; Y66-F171 AromaticContact CG-CE2 3.98Å; Y66-F171 HydrophobicContact CG-CE2 3.98Å
67W96.1Very high95.2Very high155 Ų15546.9 Ų46.959%0.58725%0.248SC*.Hα-helixtrans-55.8-48.3175-179.5-87000111.8S63 W64 S69 I70 F71S63-W67 VanDerWaalsContact O-CB 3.24Å; S63-W67 WeakPolarHBondContact O-CB 3.47Å; S63-W67 PolarHBondContact O-N 3.49Å; W64-W67 PolarHBondContact O-N 2.57Å; W67-S69 VanDerWaalsContact C-N 3.28Å; W67-S69 PolarHBondContact O-N 3.03Å; W67-I70 PolarHBondContact O-N 2.81Å; W67-F71 AromaticContact CD2-CD2 3.35Å; W67-F71 HydrophobicContact CD2-CD2 3.35Å; W67-F71 AromaticContact CD2-CE2 3.55Å; W67-F71 HydrophobicContact CD2-CE2 3.55Å; W67-F71 HydrophobicContact CD2-CG 4.45Å; W67-F71 AromaticContact CE2-CD2 3.33Å; W67-F71 AromaticContact CE2-CE2 3.73Å; W67-F71 AromaticContact CE3-CD2 3.68Å; W67-F71 HydrophobicContact CE3-CD2 3.68Å; W67-F71 AromaticContact CE3-CE2 3.31Å; W67-F71 HydrophobicContact CE3-CE2 3.31Å; W67-F71 HydrophobicContact CE3-CZ 4.35Å; W67-F71 AromaticContact CG-CD2 3.84Å; W67-F71 HydrophobicContact CG-CD2 3.84Å; W67-F71 HydrophobicContact CG-CE2 4.39Å; W67-F71 AromaticContact CH2-CD2 3.92Å; W67-F71 HydrophobicContact CH2-CD2 3.92Å; W67-F71 AromaticContact CH2-CE2 3.46Å; W67-F71 HydrophobicContact CH2-CE2 3.46Å; W67-F71 VanDerWaalsContact CH2-CE2 3.46Å; W67-F71 AromaticContact CH2-CZ 3.82Å; W67-F71 HydrophobicContact CH2-CZ 3.82Å; W67-F71 AromaticContact CZ2-CD2 3.63Å; W67-F71 HydrophobicContact CZ2-CD2 3.63Å; W67-F71 AromaticContact CZ2-CE2 3.7Å; W67-F71 HydrophobicContact CZ2-CE2 3.7Å; W67-F71 HydrophobicContact CZ2-CG 4.16Å; W67-F71 HydrophobicContact CZ2-CZ 4.25Å; W67-F71 AromaticContact CZ3-CD2 3.95Å; W67-F71 HydrophobicContact CZ3-CD2 3.95Å; W67-F71 AromaticContact CZ3-CE2 3.27Å; W67-F71 HydrophobicContact CZ3-CE2 3.27Å; W67-F71 AromaticContact CZ3-CZ 3.89Å; W67-F71 HydrophobicContact CZ3-CZ 3.89Å; W67-F71 AromaticContact NE1-CD2 3.79Å; W67-F71 WeakPolarHBondContact O-CD2 3.42Å; W67-F71 PolarHBondContact O-N 3.24Å
68K95.9Very high94.9Very high64 Ų6445 Ų4528%0.27824%0.238SC..Hα-helixtrans-63.6-33.8178.2-72.8-68.1-64.9172.20112.3W64 Y66 T72 F167 P279W64-K68 WeakPolarHBondContact O-CB 3.45Å; W64-K68 VanDerWaalsContact O-CG 3.31Å; W64-K68 WeakPolarHBondContact O-CG 3.18Å; W64-K68 PolarHBondContact O-N 3.33Å; Y66-K68 VanDerWaalsContact C-N 3.35Å; Y66-K68 PolarHBondContact O-N 3.14Å; K68-T72 WeakPolarHBondContact O-CB 3.44Å; K68-T72 PolarHBondContact O-N 3.35Å; K68-T72 VanDerWaalsContact O-N 3.15Å; K68-T72 PolarHBondContact O-OG1 2.86Å; K68-F167 HydrophobicContact CB-CB 4.17Å; K68-F167 HydrophobicContact CB-CD1 4.33Å; K68-F167 HydrophobicContact CB-CD2 4Å; K68-F167 HydrophobicContact CB-CG 3.91Å; K68-P279 HydrophobicContact CB-CB 4.46Å; K68-P279 HydrophobicContact CG-CB 4.22Å
69S94.9Very high94.7Very high1 Ų152.9 Ų52.91%0.00727%0.271CS..Hα-helixtrans-69.4-37.3176.9-60.30000112.3T65 Y66 W67 N158 F167 F168T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 3.17Å; T65-S69 PolarHBondContact O-OG 3.27Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.77Å; Y66-S69 VanDerWaalsContact O-N 3.1Å; W67-S69 VanDerWaalsContact C-N 3.28Å; W67-S69 PolarHBondContact O-N 3.03Å; S69-N158 PolarHBondContact O-ND2 3.07Å; S69-F167 VanDerWaalsContact OG-C 3.23Å; S69-F167 PolarHBondContact OG-O 3.09Å; S69-F168 PolarHBondContact OG-N 3.32Å
70I95.1Very high94.4Very high15 Ų1559 Ų598%0.07730%0.298CS..Hα-helixtrans-73-53.7177.5-64.4162.6000111.2W16 V19 Y66 W67 V156 N158W16-I70 HydrophobicContact CH2-CG2 4.02Å; W16-I70 HydrophobicContact CZ3-CG2 4Å; V19-I70 HydrophobicContact CG1-CD1 3.87Å; Y66-I70 HydrophobicContact CD1-CD1 3.8Å; Y66-I70 HydrophobicContact CD2-CD1 4.15Å; Y66-I70 HydrophobicContact CD2-CG1 4.49Å; Y66-I70 HydrophobicContact CE1-CD1 3.53Å; Y66-I70 HydrophobicContact CE2-CD1 3.91Å; Y66-I70 HydrophobicContact CE2-CG1 4.27Å; Y66-I70 HydrophobicContact CG-CD1 4.1Å; Y66-I70 WeakPolarHBondContact O-CG1 3.49Å; Y66-I70 PolarHBondContact O-N 3.37Å; W67-I70 PolarHBondContact O-N 2.81Å; I70-V156 HydrophobicContact CG1-CB 3.9Å; I70-V156 HydrophobicContact CG1-CG1 4.28Å; I70-N158 PolarHBondContact O-ND2 3.07Å
71F95.7Very high94.1Very high101 Ų10157.7 Ų57.744%0.44328%0.282SS..Hα-helixtrans-93.8-4.2-165.9-67-74.1000114.8W16 W67 P73W16-F71 HydrophobicContact CH2-CE1 4.12Å; W16-F71 HydrophobicContact CH2-CZ 4.28Å; W67-F71 AromaticContact CD2-CD2 3.35Å; W67-F71 HydrophobicContact CD2-CD2 3.35Å; W67-F71 AromaticContact CD2-CE2 3.55Å; W67-F71 HydrophobicContact CD2-CE2 3.55Å; W67-F71 HydrophobicContact CD2-CG 4.45Å; W67-F71 AromaticContact CE2-CD2 3.33Å; W67-F71 AromaticContact CE2-CE2 3.73Å; W67-F71 AromaticContact CE3-CD2 3.68Å; W67-F71 HydrophobicContact CE3-CD2 3.68Å; W67-F71 AromaticContact CE3-CE2 3.31Å; W67-F71 HydrophobicContact CE3-CE2 3.31Å; W67-F71 HydrophobicContact CE3-CZ 4.35Å; W67-F71 AromaticContact CG-CD2 3.84Å; W67-F71 HydrophobicContact CG-CD2 3.84Å; W67-F71 HydrophobicContact CG-CE2 4.39Å; W67-F71 AromaticContact CH2-CD2 3.92Å; W67-F71 HydrophobicContact CH2-CD2 3.92Å; W67-F71 AromaticContact CH2-CE2 3.46Å; W67-F71 HydrophobicContact CH2-CE2 3.46Å; W67-F71 VanDerWaalsContact CH2-CE2 3.46Å; W67-F71 AromaticContact CH2-CZ 3.82Å; W67-F71 HydrophobicContact CH2-CZ 3.82Å; W67-F71 AromaticContact CZ2-CD2 3.63Å; W67-F71 HydrophobicContact CZ2-CD2 3.63Å; W67-F71 AromaticContact CZ2-CE2 3.7Å; W67-F71 HydrophobicContact CZ2-CE2 3.7Å; W67-F71 HydrophobicContact CZ2-CG 4.16Å; W67-F71 HydrophobicContact CZ2-CZ 4.25Å; W67-F71 AromaticContact CZ3-CD2 3.95Å; W67-F71 HydrophobicContact CZ3-CD2 3.95Å; W67-F71 AromaticContact CZ3-CE2 3.27Å; W67-F71 HydrophobicContact CZ3-CE2 3.27Å; W67-F71 AromaticContact CZ3-CZ 3.89Å; W67-F71 HydrophobicContact CZ3-CZ 3.89Å; W67-F71 AromaticContact NE1-CD2 3.79Å; W67-F71 WeakPolarHBondContact O-CD2 3.42Å; W67-F71 PolarHBondContact O-N 3.24Å; F71-P73 VanDerWaalsContact O-CD 3.23Å; F71-P73 WeakPolarHBondContact O-CD 3.42Å
72T95.4Very high93.9Very high19 Ų1960.5 Ų60.512%0.11730%0.295CS..SBendtrans-80.3112170.7-57.30000108.7K68 N158 N164 F167K68-T72 WeakPolarHBondContact O-CB 3.44Å; K68-T72 PolarHBondContact O-N 3.35Å; K68-T72 VanDerWaalsContact O-N 3.15Å; K68-T72 PolarHBondContact O-OG1 2.86Å; T72-N158 PolarHBondContact O-ND2 3.37Å; T72-N164 HydrophobicContact CG2-CB 4.21Å; T72-F167 HydrophobicContact CG2-CD2 4.26Å; T72-F167 HydrophobicContact CG2-CE2 3.86Å; T72-F167 WeakPolarHBondContact OG1-CE2 3.42Å
73P94Very high93.6Very high95 Ų9560.9 Ų60.962%0.61730%0.297SS*.PPolyproline II helixtrans-65.2148.9-179.227.4-34.3000111.1F71 A75 S163F71-P73 VanDerWaalsContact O-CD 3.23Å; F71-P73 WeakPolarHBondContact O-CD 3.42Å; P73-A75 PolarHBondContact O-N 3.34Å; P73-S163 PolarHBondContact O-OG 3.39Å
74P93.9Very high93.3Very high24 Ų2461.1 Ų61.116%0.15630%0.299CS..PPolyproline II helixtrans-65.5135.4175.427-32.5000110.1V146 N158 C159 S163P74-V146 HydrophobicContact CB-CB 4.34Å; P74-V146 HydrophobicContact CB-CG1 3.73Å; P74-V146 HydrophobicContact CB-CG2 3.8Å; P74-V146 HydrophobicContact CG-CG2 4.22Å; P74-N158 WeakPolarHBondContact CD-OD1 3.14Å; P74-C159 HydrophobicContact CB-CB 4.11Å; P74-C159 HydrophobicContact CG-CB 4.25Å; P74-S163 WeakPolarHBondContact CA-OG 3.38Å
75A94Very high92.9Very high27 Ų2764.8 Ų64.822%0.22331%0.314CS..PPolyproline II helixtrans-67.2136.2174.700000110.8P73 L147 F162 S163P73-A75 PolarHBondContact O-N 3.34Å; A75-L147 HydrophobicContact CB-CB 4.25Å; A75-L147 HydrophobicContact CB-CD1 3.9Å; A75-L147 HydrophobicContact CB-CG 4.3Å; A75-L147 WeakPolarHBondContact O-CG 3.41Å; A75-L147 PolarHBondContact O-N 3.05Å; A75-F162 HydrophobicContact CB-CD1 4.48Å; A75-S163 PolarHBondContact N-OG 3.33Å; A75-S163 VanDerWaalsContact N-OG 3.17Å
76T94.3Very high92.5Very high74 Ų7468 Ų6845%0.45434%0.336SS..  trans-110.5155.5-178.255.60000111.6C78 T144T76-C78 PolarHBondContact O-N 3.43Å; T76-T144 HydrophobicContact CG2-CG2 4.27Å; T76-T144 WeakPolarHBondContact CG2-OG1 3.48Å
77P93.2Very high92.2Very high10 Ų1068.8 Ų68.87%0.06534%0.341CS..  trans-54.7138.4173.8-27.736.2000112.2F81 V130 P133 C145 L147P77-F81 HydrophobicContact CB-CB 4.09Å; P77-V130 HydrophobicContact CB-CG1 3.81Å; P77-V130 HydrophobicContact CG-CG1 3.93Å; P77-P133 HydrophobicContact CB-CG 4.06Å; P77-P133 HydrophobicContact CG-CG 4.13Å; P77-C145 WeakPolarHBondContact CD-O 3.44Å; P77-C145 HydrophobicContact CG-CB 3.8Å; P77-L147 HydrophobicContact CB-CD2 4.43Å; P77-L147 HydrophobicContact CG-CD2 3.92Å
78C90.1Very high91.9Very high49 Ų4965 Ų6533%0.33133%0.329SS..  trans-73.4165.2178.671.30000110.7T76 K80 F81 H288T76-C78 PolarHBondContact O-N 3.43Å; C78-K80 PolarHBondContact O-N 3.39Å; C78-F81 PolarHBondContact O-N 3.32Å; C78-F81 VanDerWaalsContact SG-CD2 3.54Å; C78-H288 PolarHBondContact N-NE2 2.07Å; C78-H288 VanDerWaalsContact N-NE2 3.16Å
79K88.6Confident91.6Very high178 Ų17865.7 Ų65.777%0.77433%0.334SS*.G310 helixtrans-54.8-25.5-177.1-67.4-175.9175.9-178.50114F81 Q82K79-F81 PolarHBondContact O-N 3.32Å; K79-Q82 WeakPolarHBondContact O-CB 3.23Å; K79-Q82 PolarHBondContact O-N 3.31Å; K79-Q82 VanDerWaalsContact O-N 3.13Å
80K89.4Confident91.4Very high170 Ų17071.2 Ų71.274%0.73935%0.354SS*.G310 helixtrans-63.3-26.8176.7-62-174.1178.2-175.40113.5C78 L111C78-K80 PolarHBondContact O-N 3.39Å; K80-L111 HydrophobicContact CB-CD2 4.3Å
81F89.6Confident91.1Very high6 Ų672 Ų723%0.02636%0.357CS..G310 helixtrans-91.5-9.8177.6-69.4-92.1000112.8P77 C78 K79 L111 P112 I113 V130 L131 P133 H288P77-F81 HydrophobicContact CB-CB 4.09Å; C78-F81 PolarHBondContact O-N 3.32Å; C78-F81 VanDerWaalsContact SG-CD2 3.54Å; K79-F81 PolarHBondContact O-N 3.32Å; F81-L111 HydrophobicContact CD1-CD1 3.85Å; F81-L111 HydrophobicContact CE1-CB 4.14Å; F81-L111 HydrophobicContact CE1-CD1 4.22Å; F81-L111 HydrophobicContact CE1-CD2 4.44Å; F81-L111 HydrophobicContact CG-CD1 4.45Å; F81-P112 HydrophobicContact CZ-CG 4.13Å; F81-I113 HydrophobicContact CD1-CD1 4.08Å; F81-I113 HydrophobicContact CD1-CG1 4.46Å; F81-I113 HydrophobicContact CE1-CD1 3.93Å; F81-I113 HydrophobicContact CE1-CG1 3.81Å; F81-V130 HydrophobicContact CB-CG1 4.17Å; F81-V130 WeakPolarHBondContact O-CA 3.27Å; F81-L131 WeakPolarHBondContact CD1-O 3.41Å; F81-L131 PolarHBondContact O-N 2.88Å; F81-P133 HydrophobicContact CD1-CB 4.3Å; F81-P133 HydrophobicContact CD1-CG 3.65Å; F81-P133 HydrophobicContact CD2-CG 4.18Å; F81-P133 HydrophobicContact CE1-CB 3.96Å; F81-P133 HydrophobicContact CE1-CG 3.78Å; F81-P133 HydrophobicContact CE2-CG 4.3Å; F81-P133 HydrophobicContact CG-CG 3.87Å; F81-P133 HydrophobicContact CZ-CB 4.26Å; F81-P133 HydrophobicContact CZ-CG 4.11Å; F81-H288 AromaticContact CD2-CD2 3.79Å; F81-H288 HydrophobicContact CE2-CB 3.77Å; F81-H288 AromaticContact CE2-CD2 3.48Å; F81-H288 VanDerWaalsContact CE2-CD2 3.48Å; F81-H288 WeakPolarHBondContact CE2-CD2 3.49Å; F81-H288 AromaticContact CE2-CG 3.74Å; F81-H288 HydrophobicContact CZ-CB 3.84Å
82Q91.1Very high90.9Very high95 Ų9572.7 Ų72.744%0.44436%0.361SS..BIsolated β-bridgetrans-78.5141.1171.8-72.3173.4-12.200109K79 S84 V130K79-Q82 WeakPolarHBondContact O-CB 3.23Å; K79-Q82 PolarHBondContact O-N 3.31Å; K79-Q82 VanDerWaalsContact O-N 3.13Å; Q82-S84 PolarHBondContact O-N 2.83Å; Q82-V130 HydrophobicContact CB-CG2 4.36Å; Q82-V130 HydrophobicContact CG-CG2 3.49Å; Q82-V130 VanDerWaalsContact CG-CG2 3.49Å
83L88.6Confident90.6Very high19 Ų1978.2 Ų78.210%0.09939%0.387CS..PPolyproline II helixtrans-61.3131171.6-70.8175.8000109.4D87 K88 L104 I107 F124 Q129 L131L83-D87 HydrophobicContact CD2-CB 4.15Å; L83-K88 HydrophobicContact CB-CB 4.14Å; L83-L104 HydrophobicContact CD2-CD2 4.32Å; L83-I107 HydrophobicContact CD2-CD1 3.49Å; L83-I107 VanDerWaalsContact CD2-CD1 3.49Å; L83-F124 HydrophobicContact CD1-CE2 3.56Å; L83-F124 HydrophobicContact CD1-CZ 3.61Å; L83-F124 HydrophobicContact CG-CE2 4.05Å; L83-Q129 PolarHBondContact N-O 3.24Å; L83-Q129 VanDerWaalsContact N-O 3.08Å; L83-L131 HydrophobicContact CD2-CD1 3.5Å; L83-L131 HydrophobicContact CG-CD1 4.05Å
84S89.6Confident90.5Very high46 Ų4676 Ų7632%0.32237%0.369SS..PPolyproline II helixtrans-62160.9169.6750000109.7Q82 S86 D87 K88Q82-S84 PolarHBondContact O-N 2.83Å; S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.22Å; S84-S86 PolarHBondContact OG-OG 2.75Å; S84-D87 PolarHBondContact O-N 3.31Å; S84-D87 WeakPolarHBondContact OG-CB 3.42Å; S84-D87 PolarHBondContact OG-N 3.49Å; S84-D87 VanDerWaalsContact OG-N 3.09Å; S84-D87 PolarHBondContact OG-OD2 2.93Å; S84-K88 VanDerWaalsContact O-CB 3.29Å; S84-K88 WeakPolarHBondContact O-CB 3.46Å; S84-K88 PolarHBondContact O-N 2.99Å
85Y88.1Confident90.4Very high197 Ų19783.6 Ų83.677%0.77340%0.402SS*.Hα-helixtrans-56.6-44178.3-179.8-95.2000111.9K88 Q89Y85-K88 PolarHBondContact O-N 2.84Å; Y85-Q89 WeakPolarHBondContact O-CB 3.5Å; Y85-Q89 PolarHBondContact O-N 3.42Å
86S88.7Confident90.3Very high67 Ų6790 Ų9047%0.46942%0.42SS..Hα-helixtrans-65-41.8177.2490000112.7S84 Q89 R90S84-S86 VanDerWaalsContact C-N 3.28Å; S84-S86 PolarHBondContact O-N 3.22Å; S84-S86 PolarHBondContact OG-OG 2.75Å; S86-Q89 PolarHBondContact O-N 3.27Å; S86-R90 VanDerWaalsContact O-CG 3.27Å; S86-R90 WeakPolarHBondContact O-CG 3.36Å; S86-R90 PolarHBondContact O-N 3.13Å
87D89.2Confident90Very high32 Ų3290.3 Ų90.317%0.17142%0.424CS..Hα-helixtrans-70.6-36.1179.1-66.2-40.8000111.9L83 S84 R90 Y91 I107L83-D87 HydrophobicContact CD2-CB 4.15Å; S84-D87 PolarHBondContact O-N 3.31Å; S84-D87 WeakPolarHBondContact OG-CB 3.42Å; S84-D87 PolarHBondContact OG-N 3.49Å; S84-D87 VanDerWaalsContact OG-N 3.09Å; S84-D87 PolarHBondContact OG-OD2 2.93Å; D87-R90 PolarHBondContact O-N 3.23Å; D87-R90 IonicContact OD1-NH1 3.96Å; D87-R90 PolarHBondContact OD1-NH1 3.28Å; D87-Y91 VanDerWaalsContact O-CB 3.3Å; D87-Y91 WeakPolarHBondContact O-CB 3.5Å; D87-Y91 PolarHBondContact O-N 3.17Å; D87-I107 HydrophobicContact CB-CD1 3.72Å
88K89.4Confident89.8Confident76 Ų7695.2 Ų95.233%0.3345%0.449SS..Hα-helixtrans-62.8-46.7174.2-176.3-180173.3-173.70110.8L83 S84 Y85 R90 Y91 E92L83-K88 HydrophobicContact CB-CB 4.14Å; S84-K88 VanDerWaalsContact O-CB 3.29Å; S84-K88 WeakPolarHBondContact O-CB 3.46Å; S84-K88 PolarHBondContact O-N 2.99Å; Y85-K88 PolarHBondContact O-N 2.84Å; K88-R90 PolarHBondContact O-N 3.34Å; K88-Y91 PolarHBondContact O-N 3.43Å; K88-E92 VanDerWaalsContact CE-CD 3.41Å; K88-E92 WeakPolarHBondContact CE-OE1 3.31Å; K88-E92 HydrophobicContact CG-CG 4.36Å; K88-E92 IonicContact NZ-OE1 3.6Å; K88-E92 WeakPolarHBondContact O-CB 3.45Å; K88-E92 WeakPolarHBondContact O-CG 3.24Å; K88-E92 PolarHBondContact O-N 3.36Å
89Q90.8Very high89.8Confident79 Ų7993.6 Ų93.637%0.36944%0.439SS..Hα-helixtrans-61.2-44.9176.7-173.9177.8-4.400111.5Y85 S86 Y91 E92 M93Y85-Q89 WeakPolarHBondContact O-CB 3.5Å; Y85-Q89 PolarHBondContact O-N 3.42Å; S86-Q89 PolarHBondContact O-N 3.27Å; Q89-Y91 VanDerWaalsContact C-N 3.3Å; Q89-Y91 PolarHBondContact O-N 2.96Å; Q89-E92 PolarHBondContact O-N 3.25Å; Q89-M93 HydrophobicContact CG-CE 3.66Å; Q89-M93 HydrophobicContact CG-CG 4.26Å; Q89-M93 HydrophobicContact CG-SD 3.64Å; Q89-M93 VanDerWaalsContact O-CB 3.27Å; Q89-M93 WeakPolarHBondContact O-CB 3.22Å; Q89-M93 VanDerWaalsContact O-CG 3.23Å; Q89-M93 WeakPolarHBondContact O-CG 3.42Å; Q89-M93 PolarHBondContact O-N 2.99Å
90R90.5Very high89.9Confident117 Ų11787.4 Ų87.444%0.44241%0.413SS..Hα-helixtrans-58.3-41.8174.5-73.9170.165.8-156.43.2112.3S86 D87 K88 E94 I103 E106S86-R90 VanDerWaalsContact O-CG 3.27Å; S86-R90 WeakPolarHBondContact O-CG 3.36Å; S86-R90 PolarHBondContact O-N 3.13Å; D87-R90 PolarHBondContact O-N 3.23Å; D87-R90 IonicContact OD1-NH1 3.96Å; D87-R90 PolarHBondContact OD1-NH1 3.28Å; K88-R90 PolarHBondContact O-N 3.34Å; R90-E94 WeakPolarHBondContact O-CB 3.44Å; R90-E94 PolarHBondContact O-N 3.1Å; R90-I103 HydrophobicContact CB-CD1 4.39Å; R90-E106 IonicContact NH2-OE2 3.19Å
91Y89.8Confident89.9Confident32 Ų3284.4 Ų84.413%0.12540%0.4CS..Hα-helixtrans-69.5-44.1179.8178.9-99.1000112.5D87 K88 Q89 Q100 L104 F124D87-Y91 VanDerWaalsContact O-CB 3.3Å; D87-Y91 WeakPolarHBondContact O-CB 3.5Å; D87-Y91 PolarHBondContact O-N 3.17Å; K88-Y91 PolarHBondContact O-N 3.43Å; Q89-Y91 VanDerWaalsContact C-N 3.3Å; Q89-Y91 PolarHBondContact O-N 2.96Å; Y91-Q100 HydrophobicContact CD2-CB 4.1Å; Y91-Q100 HydrophobicContact CD2-CG 4.23Å; Y91-Q100 HydrophobicContact CE2-CB 3.76Å; Y91-Q100 HydrophobicContact CE2-CG 4.1Å; Y91-Q100 PolarHBondContact O-NE2 3.39Å; Y91-L104 HydrophobicContact CD2-CD1 4.5Å; Y91-L104 HydrophobicContact CD2-CD2 4.21Å; Y91-L104 HydrophobicContact CD2-CG 4.17Å; Y91-L104 HydrophobicContact CE2-CD1 3.8Å; Y91-L104 HydrophobicContact CE2-CD2 4.23Å; Y91-L104 HydrophobicContact CE2-CG 3.97Å; Y91-F124 AromaticContact CE1-CE1 3.83Å; Y91-F124 HydrophobicContact CE1-CE1 3.83Å; Y91-F124 HydrophobicContact CE1-CZ 4.28Å; Y91-F124 AromaticContact CZ-CE1 3.87Å
92E90Very high90Very high115 Ų11589.9 Ų89.954%0.53743%0.426SS..Hα-helixtrans-73.8-29-178.7-71178.616300113.1K88 Q89K88-E92 VanDerWaalsContact CE-CD 3.41Å; K88-E92 WeakPolarHBondContact CE-OE1 3.31Å; K88-E92 HydrophobicContact CG-CG 4.36Å; K88-E92 IonicContact NZ-OE1 3.6Å; K88-E92 WeakPolarHBondContact O-CB 3.45Å; K88-E92 WeakPolarHBondContact O-CG 3.24Å; K88-E92 PolarHBondContact O-N 3.36Å; Q89-E92 PolarHBondContact O-N 3.25Å
93M90.6Very high90Very high135 Ų13586 Ų8667%0.66541%0.408SS*.Hα-helixtrans-82.2-19.3178.2-71.7-176.9168.400113.9Q89 E95Q89-M93 HydrophobicContact CG-CE 3.66Å; Q89-M93 HydrophobicContact CG-CG 4.26Å; Q89-M93 HydrophobicContact CG-SD 3.64Å; Q89-M93 VanDerWaalsContact O-CB 3.27Å; Q89-M93 WeakPolarHBondContact O-CB 3.22Å; Q89-M93 VanDerWaalsContact O-CG 3.23Å; Q89-M93 WeakPolarHBondContact O-CG 3.42Å; Q89-M93 PolarHBondContact O-N 2.99Å; M93-E95 PolarHBondContact O-N 2.9Å
94E91.6Very high90.1Very high49 Ų4985.7 Ų85.723%0.22941%0.407CS..  trans-82118.8179.4179.666.1-112.500110.3R90 R96 A99 Q100 I103R90-E94 WeakPolarHBondContact O-CB 3.44Å; R90-E94 PolarHBondContact O-N 3.1Å; E94-R96 WeakPolarHBondContact OE1-CB 3.41Å; E94-R96 IonicContact OE1-CZ 3.5Å; E94-R96 PolarHBondContact OE1-N 3.31Å; E94-R96 IonicContact OE1-NE 3.95Å; E94-R96 PolarHBondContact OE1-NE 3.08Å; E94-R96 IonicContact OE1-NH2 2.99Å; E94-R96 PolarHBondContact OE1-NH2 3.34Å; E94-R96 IonicContact OE2-NH2 2.66Å; E94-R96 PolarHBondContact OE2-NH2 2.9Å; E94-A99 VanDerWaalsContact CD-CB 3.4Å; E94-A99 HydrophobicContact CG-CB 3.52Å; E94-A99 WeakPolarHBondContact OE2-CB 3.48Å; E94-Q100 HydrophobicContact CB-CG 4.11Å; E94-Q100 HydrophobicContact CG-CG 4.06Å; E94-Q100 PolarHBondContact O-NE2 2.92Å; E94-I103 HydrophobicContact CB-CD1 4.38Å
95E90.4Very high90.2Very high183 Ų18386.2 Ų86.286%0.85541%0.407SS*.  trans-82.3-24179.9-64-175.8169.600112.6M93 P97M93-E95 PolarHBondContact O-N 2.9Å; E95-P97 WeakPolarHBondContact O-CD 3.37Å
96R92.4Very high90.4Very high161 Ų16181 Ų8161%0.60839%0.39SS*.  trans-81.5120.1-176.2-61.8175.4-62.9161.73.7110.8E94 D98 A99 Q100E94-R96 WeakPolarHBondContact OE1-CB 3.41Å; E94-R96 IonicContact OE1-CZ 3.5Å; E94-R96 PolarHBondContact OE1-N 3.31Å; E94-R96 IonicContact OE1-NE 3.95Å; E94-R96 PolarHBondContact OE1-NE 3.08Å; E94-R96 IonicContact OE1-NH2 2.99Å; E94-R96 PolarHBondContact OE1-NH2 3.34Å; E94-R96 IonicContact OE2-NH2 2.66Å; E94-R96 PolarHBondContact OE2-NH2 2.9Å; R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.21Å; R96-A99 HydrophobicContact CB-CB 4.12Å; R96-A99 PolarHBondContact O-N 3.18Å; R96-Q100 PolarHBondContact O-N 3.36Å; R96-Q100 VanDerWaalsContact O-N 3.09Å
97P88.3Confident90.5Very high81 Ų8179 Ų7953%0.52637%0.374SS..Hα-helixtrans-60.7-31.1-177.1-25.835000114.4E95 K101E95-P97 WeakPolarHBondContact O-CD 3.37Å; P97-K101 WeakPolarHBondContact O-CG 3.24Å; P97-K101 PolarHBondContact O-N 2.86Å; P97-K101 VanDerWaalsContact O-N 3.14Å
98D89.4Confident90.5Very high112 Ų11277.5 Ų77.560%0.59937%0.366SS*.Hα-helixtrans-76.2-36-179.2-63.4-37.4000112.4R96 K101 Q102R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.21Å; D98-K101 PolarHBondContact O-N 2.87Å; D98-K101 IonicContact OD1-NZ 3.62Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; D98-Q102 PolarHBondContact O-N 3.02Å
99A90.3Very high90.5Very high15 Ų1581.8 Ų81.812%0.12439%0.385CS..Hα-helixtrans-67.2-38.9172.700000111.3E94 R96 K101 Q102 I103E94-A99 VanDerWaalsContact CD-CB 3.4Å; E94-A99 HydrophobicContact CG-CB 3.52Å; E94-A99 WeakPolarHBondContact OE2-CB 3.48Å; R96-A99 HydrophobicContact CB-CB 4.12Å; R96-A99 PolarHBondContact O-N 3.18Å; A99-K101 PolarHBondContact O-N 2.82Å; A99-Q102 WeakPolarHBondContact O-CB 3.33Å; A99-Q102 PolarHBondContact O-N 2.8Å; A99-Q102 VanDerWaalsContact O-N 3.13Å; A99-I103 WeakPolarHBondContact O-CG1 3.49Å; A99-I103 PolarHBondContact O-N 3.39Å
100Q89.8Confident90.5Very high48 Ų4886.9 Ų86.922%0.22441%0.406CS..Hα-helixtrans-57.1-45.6171.1-74.8-176.3-13.400112.5Y91 E94 R96 Q102 I103 L104Y91-Q100 HydrophobicContact CD2-CB 4.1Å; Y91-Q100 HydrophobicContact CD2-CG 4.23Å; Y91-Q100 HydrophobicContact CE2-CB 3.76Å; Y91-Q100 HydrophobicContact CE2-CG 4.1Å; Y91-Q100 PolarHBondContact O-NE2 3.39Å; E94-Q100 HydrophobicContact CB-CG 4.11Å; E94-Q100 HydrophobicContact CG-CG 4.06Å; E94-Q100 PolarHBondContact O-NE2 2.92Å; R96-Q100 PolarHBondContact O-N 3.36Å; R96-Q100 VanDerWaalsContact O-N 3.09Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 3.39Å; Q100-I103 PolarHBondContact O-N 3.46Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 3.27Å
101K89.7Confident90.5Very high107 Ų10782.6 Ų82.647%0.46539%0.391SS..Hα-helixtrans-61-40.3175.5-69.9168.9-163.1156.70111.3P97 D98 A99 L104 V105P97-K101 WeakPolarHBondContact O-CG 3.24Å; P97-K101 PolarHBondContact O-N 2.86Å; P97-K101 VanDerWaalsContact O-N 3.14Å; D98-K101 PolarHBondContact O-N 2.87Å; D98-K101 IonicContact OD1-NZ 3.62Å; D98-K101 PolarHBondContact OD1-NZ 2.83Å; A99-K101 PolarHBondContact O-N 2.82Å; K101-L104 PolarHBondContact O-N 2.92Å; K101-V105 VanDerWaalsContact O-CG2 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.49Å; K101-V105 PolarHBondContact O-N 2.92Å
102Q90.9Very high90.5Very high121 Ų12183.5 Ų83.557%0.56540%0.402SS*.Hα-helixtrans-65.5-40.9-178.7-164.4163.12.600112.1D98 A99 Q100 L104 V105 E106D98-Q102 PolarHBondContact O-N 3.02Å; A99-Q102 WeakPolarHBondContact O-CB 3.33Å; A99-Q102 PolarHBondContact O-N 2.8Å; A99-Q102 VanDerWaalsContact O-N 3.13Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 3.39Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.71Å; Q102-V105 WeakPolarHBondContact O-CB 3.34Å; Q102-V105 PolarHBondContact O-N 3.29Å; Q102-V105 VanDerWaalsContact O-N 3.15Å; Q102-E106 WeakPolarHBondContact O-CG 3.32Å; Q102-E106 PolarHBondContact O-N 3.23Å
103I91.3Very high90.4Very high15 Ų1578.5 Ų78.58%0.07738%0.378CS..Hα-helixtrans-56.5-47.9172-65.6165000110.5R90 E94 A99 Q100 V105 E106 I107R90-I103 HydrophobicContact CB-CD1 4.39Å; E94-I103 HydrophobicContact CB-CD1 4.38Å; A99-I103 WeakPolarHBondContact O-CG1 3.49Å; A99-I103 PolarHBondContact O-N 3.39Å; Q100-I103 PolarHBondContact O-N 3.46Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 2.97Å; I103-E106 PolarHBondContact O-N 3.39Å; I103-I107 HydrophobicContact CG2-CD1 3.96Å; I103-I107 WeakPolarHBondContact O-CG1 3.43Å; I103-I107 PolarHBondContact O-N 3.45Å; I103-I107 VanDerWaalsContact O-N 3.13Å
104L91.9Very high90.3Very high12 Ų1275.6 Ų75.66%0.06336%0.362CS..Hα-helixtrans-63.6-37178.5-65176.2000112.3L83 Y91 Q100 K101 Q102 A108 I122 F124 L131L83-L104 HydrophobicContact CD2-CD2 4.32Å; Y91-L104 HydrophobicContact CD2-CD1 4.5Å; Y91-L104 HydrophobicContact CD2-CD2 4.21Å; Y91-L104 HydrophobicContact CD2-CG 4.17Å; Y91-L104 HydrophobicContact CE2-CD1 3.8Å; Y91-L104 HydrophobicContact CE2-CD2 4.23Å; Y91-L104 HydrophobicContact CE2-CG 3.97Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 3.27Å; K101-L104 PolarHBondContact O-N 2.92Å; Q102-L104 VanDerWaalsContact C-N 3.33Å; Q102-L104 PolarHBondContact O-N 2.71Å; L104-A108 VanDerWaalsContact O-CB 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.26Å; L104-I122 HydrophobicContact CB-CB 4.17Å; L104-I122 HydrophobicContact CB-CG1 4.29Å; L104-I122 HydrophobicContact CB-CG2 4.38Å; L104-F124 HydrophobicContact CD1-CB 3.93Å; L104-F124 HydrophobicContact CD1-CD1 4.26Å; L104-F124 HydrophobicContact CD1-CG 4Å; L104-F124 HydrophobicContact CD2-CD2 3.9Å; L104-F124 HydrophobicContact CD2-CE2 4.17Å; L104-F124 HydrophobicContact CD2-CG 4.2Å; L104-L131 HydrophobicContact CD2-CD1 4.22Å
105V91.6Very high90.2Very high56 Ų5673.4 Ų73.434%0.33935%0.352SS..Hα-helixtrans-64.7-44.2175.8169.10000111.2K101 Q102 I103 I107 A108 K109 I122K101-V105 VanDerWaalsContact O-CG2 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.49Å; K101-V105 PolarHBondContact O-N 2.92Å; Q102-V105 WeakPolarHBondContact O-CB 3.34Å; Q102-V105 PolarHBondContact O-N 3.29Å; Q102-V105 VanDerWaalsContact O-N 3.15Å; I103-V105 VanDerWaalsContact C-N 3.31Å; I103-V105 PolarHBondContact O-N 2.97Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.04Å; V105-A108 PolarHBondContact O-N 3.29Å; V105-K109 WeakPolarHBondContact O-CG 3.43Å; V105-K109 PolarHBondContact O-N 3.05Å; V105-I122 HydrophobicContact CB-CG1 4.39Å; V105-I122 HydrophobicContact CG2-CD1 4.13Å; V105-I122 HydrophobicContact CG2-CG1 3.68Å
106E91.3Very high90.2Very high88 Ų8868.2 Ų68.241%0.41133%0.325SS..Hα-helixtrans-59.7-42.8177.4-74.2174.9-173.200112.4R90 Q102 I103R90-E106 IonicContact NH2-OE2 3.19Å; Q102-E106 WeakPolarHBondContact O-CG 3.32Å; Q102-E106 PolarHBondContact O-N 3.23Å; I103-E106 PolarHBondContact O-N 3.39Å
107I90.4Very high90Very high24 Ų2462.6 Ų62.612%0.12331%0.308CS..Hα-helixtrans-68.8-43.8177.5-61166.9000110L83 D87 I103 V105 K109 K110 L111 L131L83-I107 HydrophobicContact CD2-CD1 3.49Å; L83-I107 VanDerWaalsContact CD2-CD1 3.49Å; D87-I107 HydrophobicContact CB-CD1 3.72Å; I103-I107 HydrophobicContact CG2-CD1 3.96Å; I103-I107 WeakPolarHBondContact O-CG1 3.43Å; I103-I107 PolarHBondContact O-N 3.45Å; I103-I107 VanDerWaalsContact O-N 3.13Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.04Å; I107-K109 VanDerWaalsContact C-N 3.26Å; I107-K109 PolarHBondContact O-N 3.16Å; I107-K110 PolarHBondContact O-N 3.27Å; I107-K110 VanDerWaalsContact O-N 3.11Å; I107-L111 HydrophobicContact CG2-CD1 4.44Å; I107-L131 HydrophobicContact CB-CD2 4.1Å; I107-L131 HydrophobicContact CG2-CD1 4.08Å; I107-L131 HydrophobicContact CG2-CD2 3.86Å
108A90.4Very high89.8Confident2 Ų265.9 Ų65.92%0.01732%0.317CS..Hα-helixtrans-61.7-31-179.600000113.2L104 V105 K110 L111 I122 L131L104-A108 VanDerWaalsContact O-CB 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.26Å; V105-A108 PolarHBondContact O-N 3.29Å; A108-K110 PolarHBondContact O-N 3.17Å; A108-L111 PolarHBondContact O-N 2.96Å; A108-L111 VanDerWaalsContact O-O 3.1Å; A108-I122 HydrophobicContact CB-CD1 3.53Å; A108-I122 HydrophobicContact CB-CG1 4.01Å; A108-I122 HydrophobicContact CB-CG2 4.18Å; A108-L131 HydrophobicContact CB-CD2 3.89Å
109K89.3Confident89.7Confident166 Ų16665.6 Ų65.672%0.72232%0.324SS*.THydrogen-bonded Turntrans-59.4-25.4175.9-76.8175.5-179.9-177.80113.4V105 I107 L111V105-K109 WeakPolarHBondContact O-CG 3.43Å; V105-K109 PolarHBondContact O-N 3.05Å; I107-K109 VanDerWaalsContact C-N 3.26Å; I107-K109 PolarHBondContact O-N 3.16Å; K109-L111 VanDerWaalsContact C-N 3.32Å
110K90Very high89.4Confident185 Ų18567.2 Ų67.280%0.80434%0.342SS*.THydrogen-bonded Turntrans-88.4-0.4178.9-58.1177-176.4176.20113I107 A108I107-K110 PolarHBondContact O-N 3.27Å; I107-K110 VanDerWaalsContact O-N 3.11Å; A108-K110 PolarHBondContact O-N 3.17Å
111L90.5Very high89.4Confident27 Ų2766.4 Ų66.414%0.14134%0.343CS..SBendtrans-120.6150.8-173.6-62.6174000110.6K80 F81 I107 A108 K109 I113 L131K80-L111 HydrophobicContact CB-CD2 4.3Å; F81-L111 HydrophobicContact CD1-CD1 3.85Å; F81-L111 HydrophobicContact CE1-CB 4.14Å; F81-L111 HydrophobicContact CE1-CD1 4.22Å; F81-L111 HydrophobicContact CE1-CD2 4.44Å; F81-L111 HydrophobicContact CG-CD1 4.45Å; I107-L111 HydrophobicContact CG2-CD1 4.44Å; A108-L111 PolarHBondContact O-N 2.96Å; A108-L111 VanDerWaalsContact O-O 3.1Å; K109-L111 VanDerWaalsContact C-N 3.32Å; L111-I113 HydrophobicContact CB-CD1 3.89Å; L111-I113 HydrophobicContact CB-CG1 3.9Å; L111-I113 HydrophobicContact CD1-CD1 3.99Å; L111-I113 PolarHBondContact O-N 3.32Å; L111-L131 HydrophobicContact CD1-CB 4.39Å; L111-L131 HydrophobicContact CD1-CD2 4.19Å
112P89.6Confident89.5Confident52 Ų5261.9 Ų61.934%0.33832%0.324SS..  trans-77.366.5177.833.6-36.2000110.8F81 F114 Y289F81-P112 HydrophobicContact CZ-CG 4.13Å; P112-F114 HydrophobicContact CB-CE2 4.15Å; P112-Y289 HydrophobicContact CB-CD2 4.25Å
113I89.3Confident89.5Confident9 Ų957.6 Ų57.65%0.04630%0.302CS..  trans-117108.4-178.9-55.1175000109.6F81 L111 R116 L131F81-I113 HydrophobicContact CD1-CD1 4.08Å; F81-I113 HydrophobicContact CD1-CG1 4.46Å; F81-I113 HydrophobicContact CE1-CD1 3.93Å; F81-I113 HydrophobicContact CE1-CG1 3.81Å; L111-I113 HydrophobicContact CB-CD1 3.89Å; L111-I113 HydrophobicContact CB-CG1 3.9Å; L111-I113 HydrophobicContact CD1-CD1 3.99Å; L111-I113 PolarHBondContact O-N 3.32Å; I113-R116 PolarHBondContact O-NH1 3.09Å; I113-L131 HydrophobicContact CD1-CB 4.19Å
114F88.8Confident89.6Confident75 Ų7557.8 Ų57.833%0.32930%0.303SS..  trans-102.9-12.5-176.7-57.9-83.6000112.8P112 D134 Y289 L292P112-F114 HydrophobicContact CB-CE2 4.15Å; F114-D134 WeakPolarHBondContact CD2-OD2 3.35Å; F114-D134 PolarHBondContact N-OD1 2.75Å; F114-D134 PolarHBondContact N-OD2 3.48Å; F114-Y289 HydrophobicContact CD2-CD2 4.4Å; F114-Y289 HydrophobicContact CD2-CE2 4.35Å; F114-Y289 AromaticContact CE2-CD2 3.7Å; F114-Y289 HydrophobicContact CE2-CD2 3.7Å; F114-Y289 AromaticContact CE2-CE2 3.58Å; F114-Y289 HydrophobicContact CE2-CE2 3.58Å; F114-Y289 HydrophobicContact CZ-CE2 4.2Å; F114-L292 HydrophobicContact CB-CD1 4.05Å; F114-L292 HydrophobicContact CB-CD2 4.28Å; F114-L292 HydrophobicContact CD1-CD1 3.79Å; F114-L292 HydrophobicContact CD2-CD1 3.78Å; F114-L292 HydrophobicContact CE1-CD1 4.16Å; F114-L292 HydrophobicContact CE2-CD1 4.17Å; F114-L292 HydrophobicContact CG-CD1 3.58Å; F114-L292 HydrophobicContact CZ-CD1 4.33Å
115T89.2Confident89.6Confident3 Ų357.5 Ų57.52%0.01830%0.302CS..  trans-99.1151.517967.10000113.2R123 D134 P246 V247 F248 F257T115-R123 PolarHBondContact OG1-NH1 3.35Å; T115-D134 VanDerWaalsContact CB-OD1 3.27Å; T115-D134 WeakPolarHBondContact CB-OD1 3.39Å; T115-D134 HydrophobicContact CG2-CB 4.3Å; T115-D134 WeakPolarHBondContact CG2-OD1 3.25Å; T115-D134 PolarHBondContact N-OD1 2.89Å; T115-D134 PolarHBondContact OG1-OD1 3.46Å; T115-P246 HydrophobicContact CG2-CB 3.91Å; T115-V247 CarbonylContact C-O 3.54Å; T115-V247 VanDerWaalsContact CA-O 3.31Å; T115-V247 WeakPolarHBondContact CA-O 3.45Å; T115-F248 HydrophobicContact CG2-CD1 4.2Å; T115-F248 HydrophobicContact CG2-CE1 3.81Å; T115-F248 HydrophobicContact CG2-CZ 4.25Å; T115-F257 HydrophobicContact CG2-CE2 4.24Å; T115-F257 HydrophobicContact CG2-CZ 3.77Å
116R89.9Confident89.5Confident73 Ų7359.8 Ų59.828%0.27531%0.312SS..BIsolated β-bridgetrans-127.9171.7176.2-60.5-63.3179.8-95.62.8111.2I113 A121 I122 V247I113-R116 PolarHBondContact O-NH1 3.09Å; R116-A121 WeakPolarHBondContact CA-O 3.47Å; R116-A121 WeakPolarHBondContact CB-O 3.42Å; R116-I122 VanDerWaalsContact NE-CD1 3.32Å; R116-V247 PolarHBondContact N-O 2.92Å
117T87.8Confident89.4Confident43 Ų4364.6 Ų64.626%0.26433%0.326SS..  trans-68.7168.4167.4630000110.2S119 G120 A121 R123T117-S119 PolarHBondContact O-N 3.13Å; T117-S119 PolarHBondContact OG1-N 2.72Å; T117-S119 PolarHBondContact OG1-OG 3.27Å; T117-G120 PolarHBondContact O-N 3.3Å; T117-A121 HydrophobicContact CG2-CB 4.49Å; T117-A121 PolarHBondContact N-O 3.09Å; T117-A121 WeakPolarHBondContact OG1-CA 3.15Å; T117-A121 WeakPolarHBondContact OG1-CB 3.47Å; T117-A121 PolarHBondContact OG1-N 3.33Å; T117-A121 PolarHBondContact OG1-O 2.76Å; T117-R123 HydrophobicContact CG2-CG 3.91Å
118Q85.4Confident89.4Confident151 Ų15165.2 Ų65.271%0.70633%0.332SS*.THydrogen-bonded Turntrans-58.5-29.7173.2-67.5-176.90.600113.1G120 S244Q118-G120 PolarHBondContact O-N 3.06Å; Q118-S244 PolarHBondContact NE2-OG 3.48Å
119S86.3Confident89.5Confident106 Ų10666.9 Ų66.974%0.74134%0.34SS*.THydrogen-bonded Turntrans-80.43.3174.655.80000114.3T117 A121T117-S119 PolarHBondContact O-N 3.13Å; T117-S119 PolarHBondContact OG1-N 2.72Å; T117-S119 PolarHBondContact OG1-OG 3.27Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.03Å
120G84.8Confident89.7Confident49 Ų4959.1 Ų59.151%0.50531%0.306SS..SBendtrans79.5-0.5-177.200000115.2T117 Q118T117-G120 PolarHBondContact O-N 3.3Å; Q118-G120 PolarHBondContact O-N 3.06Å
121A89.1Confident89.8Confident30 Ų3050.4 Ų50.425%0.24827%0.268CS..  trans-76.3162.6179.300000113R116 T117 S119R116-A121 WeakPolarHBondContact CA-O 3.47Å; R116-A121 WeakPolarHBondContact CB-O 3.42Å; T117-A121 HydrophobicContact CG2-CB 4.49Å; T117-A121 PolarHBondContact N-O 3.09Å; T117-A121 WeakPolarHBondContact OG1-CA 3.15Å; T117-A121 WeakPolarHBondContact OG1-CB 3.47Å; T117-A121 PolarHBondContact OG1-N 3.33Å; T117-A121 PolarHBondContact OG1-O 2.76Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.03Å
122I91.5Very high90Very high13 Ų1351.2 Ų51.27%0.06727%0.271CS..  trans-65.5135.7172.6-59.9-55.9000110L104 V105 A108 R116 F124 L131L104-I122 HydrophobicContact CB-CB 4.17Å; L104-I122 HydrophobicContact CB-CG1 4.29Å; L104-I122 HydrophobicContact CB-CG2 4.38Å; V105-I122 HydrophobicContact CB-CG1 4.39Å; V105-I122 HydrophobicContact CG2-CD1 4.13Å; V105-I122 HydrophobicContact CG2-CG1 3.68Å; A108-I122 HydrophobicContact CB-CD1 3.53Å; A108-I122 HydrophobicContact CB-CG1 4.01Å; A108-I122 HydrophobicContact CB-CG2 4.18Å; R116-I122 VanDerWaalsContact NE-CD1 3.32Å; I122-F124 PolarHBondContact O-N 3.15Å; I122-L131 HydrophobicContact CG2-CD2 4.05Å; I122-L131 HydrophobicContact CG2-CG 4.33Å
123R91.4Very high90.1Very high30 Ų3048.8 Ų48.811%0.11326%0.255CS..  trans-74.595.9177.2-63.7173.469.3-126.4-5.9109.1T115 T117 K132 P133 C136 H137T115-R123 PolarHBondContact OG1-NH1 3.35Å; T117-R123 HydrophobicContact CG2-CG 3.91Å; R123-K132 HydrophobicContact CB-CB 4.08Å; R123-K132 HydrophobicContact CB-CD 4.31Å; R123-K132 VanDerWaalsContact O-CB 3.29Å; R123-K132 WeakPolarHBondContact O-CB 3.44Å; R123-K132 PolarHBondContact O-N 3Å; R123-P133 PolarHBondContact NH1-O 3.48Å; R123-P133 VanDerWaalsContact NH1-O 3.07Å; R123-C136 PolarHBondContact NH2-O 2.9Å; R123-H137 PolarHBondContact NH2-CE1 3.22Å; R123-H137 VanDerWaalsContact NH2-CE1 3.32Å; R123-H137 PolarHBondContact NH2-NE2 2.8Å
124F92.6Very high90.2Very high20 Ų2048.3 Ų48.39%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-106.4156179.6-177.6-116.1000112.5L83 Y91 L104 I122 D126 V130 L131 K132L83-F124 HydrophobicContact CD1-CE2 3.56Å; L83-F124 HydrophobicContact CD1-CZ 3.61Å; L83-F124 HydrophobicContact CG-CE2 4.05Å; Y91-F124 AromaticContact CE1-CE1 3.83Å; Y91-F124 HydrophobicContact CE1-CE1 3.83Å; Y91-F124 HydrophobicContact CE1-CZ 4.28Å; Y91-F124 AromaticContact CZ-CE1 3.87Å; L104-F124 HydrophobicContact CD1-CB 3.93Å; L104-F124 HydrophobicContact CD1-CD1 4.26Å; L104-F124 HydrophobicContact CD1-CG 4Å; L104-F124 HydrophobicContact CD2-CD2 3.9Å; L104-F124 HydrophobicContact CD2-CE2 4.17Å; L104-F124 HydrophobicContact CD2-CG 4.2Å; I122-F124 PolarHBondContact O-N 3.15Å; F124-D126 WeakPolarHBondContact CD1-OD1 3.24Å; F124-D126 HydrophobicContact CE1-CB 4.41Å; F124-D126 WeakPolarHBondContact CE1-OD1 3.27Å; F124-V130 VanDerWaalsContact CD2-O 3.3Å; F124-V130 WeakPolarHBondContact CD2-O 3.27Å; F124-L131 HydrophobicContact CD2-CD1 4.31Å; F124-L131 HydrophobicContact CD2-CG 4.42Å; F124-L131 HydrophobicContact CE2-CD1 4.48Å; F124-K132 WeakPolarHBondContact O-CE 3.41Å; F124-K132 PolarHBondContact O-NZ 3.3Å
125C93.2Very high90.3Very high6 Ų645.1 Ų45.14%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-120.9107.7172.2-1710000110.5R127 C128 Q129 V130 K132 H138C125-R127 VanDerWaalsContact C-N 3.3Å; C125-R127 PolarHBondContact O-N 2.77Å; C125-C128 HydrophobicContact CB-CB 4.22Å; C125-C128 PolarHBondContact O-N 3.35Å; C125-Q129 VanDerWaalsContact O-CA 3.3Å; C125-Q129 WeakPolarHBondContact O-CA 3.49Å; C125-Q129 PolarHBondContact O-N 3.18Å; C125-V130 PolarHBondContact N-O 3.2Å; C125-V130 PolarHBondContact O-N 3.4Å; C125-K132 HydrophobicContact CB-CG 4.26Å; C125-H138 PolarHBondContact SG-ND1 2.65Å
126D89.3Confident90.4Very high104 Ų10445 Ų4556%0.55624%0.238SC*.THydrogen-bonded Turntrans-66.8-32.4-179.4-44.3-59.2000112.5F124 Q129F124-D126 WeakPolarHBondContact CD1-OD1 3.24Å; F124-D126 HydrophobicContact CE1-CB 4.41Å; F124-D126 WeakPolarHBondContact CE1-OD1 3.27Å; D126-Q129 PolarHBondContact O-NE2 3.21Å
127R89.5Confident90.6Very high189 Ų18944.2 Ų44.271%0.71324%0.237SC*.THydrogen-bonded Turntrans-69.7-40.4179.9-63.3-178-174.7-1760.6112.7C125 H138C125-R127 VanDerWaalsContact C-N 3.3Å; C125-R127 PolarHBondContact O-N 2.77Å; R127-H138 WeakPolarHBondContact CD-NE2 3.41Å
128C90.8Very high90.8Very high37 Ų3744.2 Ų44.225%0.2523%0.234CC..THydrogen-bonded Turntrans-95.2-11.1-178.8-62.30000112.8C125 V130 H138C125-C128 HydrophobicContact CB-CB 4.22Å; C125-C128 PolarHBondContact O-N 3.35Å; C128-V130 VanDerWaalsContact C-N 3.28Å; C128-V130 HydrophobicContact CB-CB 4.17Å; C128-V130 HydrophobicContact CB-CG2 4.01Å; C128-V130 WeakPolarHBondContact O-CG2 3.21Å; C128-V130 PolarHBondContact O-N 3.45Å; C128-H138 VanDerWaalsContact SG-CE1 3.54Å; C128-H138 PolarHBondContact SG-ND1 2.85Å
129Q91.5Very high91.1Very high36 Ų3637.2 Ų37.217%0.16820%0.202CC..THydrogen-bonded Turntrans53.245.9-172.2-63.9-69.8-49.200111.9L83 C125 D126L83-Q129 PolarHBondContact N-O 3.24Å; L83-Q129 VanDerWaalsContact N-O 3.08Å; C125-Q129 VanDerWaalsContact O-CA 3.3Å; C125-Q129 WeakPolarHBondContact O-CA 3.49Å; C125-Q129 PolarHBondContact O-N 3.18Å; D126-Q129 PolarHBondContact O-NE2 3.21Å
130V92.8Very high91.3Very high4 Ų435.9 Ų35.92%0.02419%0.192CC..EExtended strand (participates in β ladder)trans-127.4133-173.3167.30000110.4P77 F81 Q82 F124 C125 C128 K132P77-V130 HydrophobicContact CB-CG1 3.81Å; P77-V130 HydrophobicContact CG-CG1 3.93Å; F81-V130 HydrophobicContact CB-CG1 4.17Å; F81-V130 WeakPolarHBondContact O-CA 3.27Å; Q82-V130 HydrophobicContact CB-CG2 4.36Å; Q82-V130 HydrophobicContact CG-CG2 3.49Å; Q82-V130 VanDerWaalsContact CG-CG2 3.49Å; F124-V130 VanDerWaalsContact CD2-O 3.3Å; F124-V130 WeakPolarHBondContact CD2-O 3.27Å; C125-V130 PolarHBondContact N-O 3.2Å; C125-V130 PolarHBondContact O-N 3.4Å; C128-V130 VanDerWaalsContact C-N 3.28Å; C128-V130 HydrophobicContact CB-CB 4.17Å; C128-V130 HydrophobicContact CB-CG2 4.01Å; C128-V130 WeakPolarHBondContact O-CG2 3.21Å; C128-V130 PolarHBondContact O-N 3.45Å; V130-K132 PolarHBondContact O-N 2.77Å
131L93.7Very high91.4Very high1 Ų137 Ų371%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-71.9114.4162.6-75.680.4000107.8F81 L83 L104 I107 A108 L111 I113 I122 F124 P133F81-L131 WeakPolarHBondContact CD1-O 3.41Å; F81-L131 PolarHBondContact O-N 2.88Å; L83-L131 HydrophobicContact CD2-CD1 3.5Å; L83-L131 HydrophobicContact CG-CD1 4.05Å; L104-L131 HydrophobicContact CD2-CD1 4.22Å; I107-L131 HydrophobicContact CB-CD2 4.1Å; I107-L131 HydrophobicContact CG2-CD1 4.08Å; I107-L131 HydrophobicContact CG2-CD2 3.86Å; A108-L131 HydrophobicContact CB-CD2 3.89Å; L111-L131 HydrophobicContact CD1-CB 4.39Å; L111-L131 HydrophobicContact CD1-CD2 4.19Å; I113-L131 HydrophobicContact CD1-CB 4.19Å; I122-L131 HydrophobicContact CG2-CD2 4.05Å; I122-L131 HydrophobicContact CG2-CG 4.33Å; F124-L131 HydrophobicContact CD2-CD1 4.31Å; F124-L131 HydrophobicContact CD2-CG 4.42Å; F124-L131 HydrophobicContact CE2-CD1 4.48Å; L131-P133 WeakPolarHBondContact O-CD 3.29Å
132K92.9Very high91.4Very high45 Ų4537.4 Ų37.420%0.19619%0.19CC..PPolyproline II helixtrans-67.1121-173.8-64.1170.7-179.5155.60109R123 F124 C125 V130 C136R123-K132 HydrophobicContact CB-CB 4.08Å; R123-K132 HydrophobicContact CB-CD 4.31Å; R123-K132 VanDerWaalsContact O-CB 3.29Å; R123-K132 WeakPolarHBondContact O-CB 3.44Å; R123-K132 PolarHBondContact O-N 3Å; F124-K132 WeakPolarHBondContact O-CE 3.41Å; F124-K132 PolarHBondContact O-NZ 3.3Å; C125-K132 HydrophobicContact CB-CG 4.26Å; V130-K132 PolarHBondContact O-N 2.77Å; K132-C136 HydrophobicContact CB-CB 4.41Å
133P93.1Very high91.4Very high0 Ų043.1 Ų43.10%022%0.216CC..PPolyproline II helixtrans-55.2164.6166.4-21.129.9000111.7P77 F81 R123 L131 R135 C136 L147 H288P77-P133 HydrophobicContact CB-CG 4.06Å; P77-P133 HydrophobicContact CG-CG 4.13Å; F81-P133 HydrophobicContact CD1-CB 4.3Å; F81-P133 HydrophobicContact CD1-CG 3.65Å; F81-P133 HydrophobicContact CD2-CG 4.18Å; F81-P133 HydrophobicContact CE1-CB 3.96Å; F81-P133 HydrophobicContact CE1-CG 3.78Å; F81-P133 HydrophobicContact CE2-CG 4.3Å; F81-P133 HydrophobicContact CG-CG 3.87Å; F81-P133 HydrophobicContact CZ-CB 4.26Å; F81-P133 HydrophobicContact CZ-CG 4.11Å; R123-P133 PolarHBondContact NH1-O 3.48Å; R123-P133 VanDerWaalsContact NH1-O 3.07Å; L131-P133 WeakPolarHBondContact O-CD 3.29Å; P133-R135 PolarHBondContact O-N 2.85Å; P133-C136 HydrophobicContact CB-CB 4.07Å; P133-C136 HydrophobicContact CG-CB 4.17Å; P133-C136 WeakPolarHBondContact O-CB 3.45Å; P133-C136 PolarHBondContact O-N 3.41Å; P133-L147 HydrophobicContact CB-CD2 4.28Å; P133-L147 HydrophobicContact CG-CD2 3.84Å; P133-H288 HydrophobicContact CB-CB 4.44Å
134D90.8Very high91.5Very high0 Ų043.5 Ų43.50%022%0.222CC..THydrogen-bonded Turntrans-56.9137.5174.5-68.6-27.5000110.2F114 T115 C136 F257 F290F114-D134 WeakPolarHBondContact CD2-OD2 3.35Å; F114-D134 PolarHBondContact N-OD1 2.75Å; F114-D134 PolarHBondContact N-OD2 3.48Å; T115-D134 VanDerWaalsContact CB-OD1 3.27Å; T115-D134 WeakPolarHBondContact CB-OD1 3.39Å; T115-D134 HydrophobicContact CG2-CB 4.3Å; T115-D134 WeakPolarHBondContact CG2-OD1 3.25Å; T115-D134 PolarHBondContact N-OD1 2.89Å; T115-D134 PolarHBondContact OG1-OD1 3.46Å; D134-C136 PolarHBondContact O-N 3.05Å; D134-F257 HydrophobicContact CB-CE1 4.49Å; D134-F257 HydrophobicContact CB-CZ 4.14Å; D134-F290 HydrophobicContact CB-CD2 4.41Å; D134-F290 VanDerWaalsContact O-CE2 3.31Å; D134-F290 WeakPolarHBondContact O-CE2 3.42Å
135R90.3Very high91.6Very high8 Ų842.6 Ų42.63%0.0322%0.218CC..THydrogen-bonded Turntrans60.46.6-176.2-44.6-177.767.8164.34.1115.9P133 H137 K148 M149 N235 R236 F257 F290P133-R135 PolarHBondContact O-N 2.85Å; R135-H137 PolarHBondContact O-CD2 2.8Å; R135-K148 HydrophobicContact CB-CG 4.47Å; R135-K148 VanDerWaalsContact O-CA 3.24Å; R135-K148 WeakPolarHBondContact O-CA 3.45Å; R135-K148 PolarHBondContact O-N 3Å; R135-M149 PolarHBondContact O-N 3.4Å; R135-N235 VanDerWaalsContact CZ-O 3.28Å; R135-N235 PolarHBondContact NH1-O 3.39Å; R135-N235 PolarHBondContact NH1-OD1 3.2Å; R135-N235 PolarHBondContact NH2-O 3.03Å; R135-R236 VanDerWaalsContact NH2-C 3.35Å; R135-F257 HydrophobicContact CG-CD2 4.19Å; R135-F257 HydrophobicContact CG-CE2 3.71Å; R135-F257 HydrophobicContact CG-CZ 3.9Å; R135-F290 HydrophobicContact CB-CD2 4.49Å; R135-F290 HydrophobicContact CB-CE2 4.17Å; R135-F290 HydrophobicContact CG-CD2 4.14Å; R135-F290 HydrophobicContact CG-CE2 4.31Å
136C92.7Very high91.7Very high0 Ų042.3 Ų42.30%022%0.216CC..  trans-82.6137.5172.2179.90000111R123 K132 P133 D134 V146 L147R123-C136 PolarHBondContact NH2-O 2.9Å; K132-C136 HydrophobicContact CB-CB 4.41Å; P133-C136 HydrophobicContact CB-CB 4.07Å; P133-C136 HydrophobicContact CG-CB 4.17Å; P133-C136 WeakPolarHBondContact O-CB 3.45Å; P133-C136 PolarHBondContact O-N 3.41Å; D134-C136 PolarHBondContact O-N 3.05Å; C136-V146 WeakPolarHBondContact CA-O 3.27Å; C136-V146 PolarHBondContact SG-O 3.49Å; C136-V146 VanDerWaalsContact SG-O 3.35Å; C136-L147 HydrophobicContact CB-CD2 4.23Å
137H92.4Very high92Very high57 Ų5737.5 Ų37.526%0.26419%0.19SC..EExtended strand (participates in β ladder)trans-136152.7175.6-63.4-103000111R123 R135 C145 V146 M149 L239R123-H137 PolarHBondContact NH2-CE1 3.22Å; R123-H137 VanDerWaalsContact NH2-CE1 3.32Å; R123-H137 PolarHBondContact NH2-NE2 2.8Å; R135-H137 PolarHBondContact O-CD2 2.8Å; H137-C145 WeakPolarHBondContact O-CA 3.45Å; H137-V146 PolarHBondContact N-O 3.47Å; H137-V146 VanDerWaalsContact N-O 3.17Å; H137-V146 PolarHBondContact O-N 2.98Å; H137-M149 HydrophobicContact CB-CB 3.98Å; H137-M149 HydrophobicContact CB-CG 4.39Å; H137-M149 HydrophobicContact CB-SD 3.7Å; H137-L239 HydrophobicContact CB-CD1 3.73Å; H137-L239 VanDerWaalsContact CD2-CD1 3.43Å; H137-L239 WeakPolarHBondContact CD2-CD1 3.32Å; H137-L239 VanDerWaalsContact CG-CD1 3.41Å
138H92.8Very high92.1Very high42 Ų4229.4 Ų29.419%0.19416%0.16CC..EExtended strand (participates in β ladder)trans-85.8123.4175.9-178.591.5000109.3C125 R127 C128C125-H138 PolarHBondContact SG-ND1 2.65Å; R127-H138 WeakPolarHBondContact CD-NE2 3.41Å; C128-H138 VanDerWaalsContact SG-CE1 3.54Å; C128-H138 PolarHBondContact SG-ND1 2.85Å
139C92.3Very high92.3Very high5 Ų528.3 Ų28.33%0.03415%0.152CC..EExtended strand (participates in β ladder)trans-93.7122.8170.5-1790000109.2V141 C142 E143 T144 V146 M149 C159C139-V141 VanDerWaalsContact C-N 3.29Å; C139-V141 PolarHBondContact O-N 2.89Å; C139-V141 PolarHBondContact SG-N 3.41Å; C139-V141 VanDerWaalsContact SG-N 3.44Å; C139-C142 HydrophobicContact CB-CB 3.93Å; C139-C142 PolarHBondContact SG-N 2.87Å; C139-C142 VanDerWaalsContact SG-N 3.4Å; C139-E143 WeakPolarHBondContact O-CA 3.41Å; C139-E143 PolarHBondContact O-N 2.89Å; C139-T144 PolarHBondContact N-O 2.81Å; C139-T144 PolarHBondContact O-N 3.37Å; C139-V146 HydrophobicContact CB-CG2 4.47Å; C139-M149 HydrophobicContact CB-CE 3.75Å; C139-M149 HydrophobicContact CB-SD 4.03Å; C139-C159 WeakPolarHBondContact CB-SG 3.22Å; C139-C159 PolarHBondContact SG-SG 3.27Å
140S89.2Confident92.3Very high77 Ų7726.7 Ų26.754%0.53814%0.144SC..THydrogen-bonded Turntrans-67.3-28.1176.649.80000113.3E143S140-E143 WeakPolarHBondContact O-CG 3.28Å
141V88Confident92.3Very high74 Ų7428.5 Ų28.545%0.44815%0.152SC..THydrogen-bonded Turntrans-78.6-44.5178.7-173.20000111.1C139 E143 H152C139-V141 VanDerWaalsContact C-N 3.29Å; C139-V141 PolarHBondContact O-N 2.89Å; C139-V141 PolarHBondContact SG-N 3.41Å; C139-V141 VanDerWaalsContact SG-N 3.44Å; V141-E143 PolarHBondContact O-N 3Å; V141-H152 VanDerWaalsContact CG1-CE1 3.41Å; V141-H152 WeakPolarHBondContact CG1-CE1 3.17Å; V141-H152 WeakPolarHBondContact CG1-NE2 3.42Å
142C89.2Confident92.3Very high37 Ų3730.6 Ų30.625%0.2516%0.162CC..THydrogen-bonded Turntrans-78.2-5.7175.4-57.20000112.4C139 T144 H152 C159C139-C142 HydrophobicContact CB-CB 3.93Å; C139-C142 PolarHBondContact SG-N 2.87Å; C139-C142 VanDerWaalsContact SG-N 3.4Å; C142-T144 HydrophobicContact CB-CG2 4.07Å; C142-T144 PolarHBondContact O-N 2.83Å; C142-H152 PolarHBondContact SG-ND1 3.24Å; C142-C159 HydrophobicContact CB-CB 4.41Å; C142-C159 WeakPolarHBondContact CB-SG 3.42Å; C142-C159 WeakPolarHBondContact SG-CB 3.4Å; C142-C159 CovalentContact SG-SG 2.07Å; C142-C159 PolarHBondContact SG-SG 2.86Å
143E91.2Very high92.3Very high133 Ų13328.9 Ų28.962%0.62116%0.156SC*.THydrogen-bonded Turntrans49.327.6-177-62-174.5162.300114.6C139 S140 V141C139-E143 WeakPolarHBondContact O-CA 3.41Å; C139-E143 PolarHBondContact O-N 2.89Å; S140-E143 WeakPolarHBondContact O-CG 3.28Å; V141-E143 PolarHBondContact O-N 3Å
144T93.5Very high92.3Very high38 Ų3832.1 Ų32.123%0.23318%0.176CC..EExtended strand (participates in β ladder)trans-146.5158.5-174-165.10000112.4T76 C139 C142 V146T76-T144 HydrophobicContact CG2-CG2 4.27Å; T76-T144 WeakPolarHBondContact CG2-OG1 3.48Å; C139-T144 PolarHBondContact N-O 2.81Å; C139-T144 PolarHBondContact O-N 3.37Å; C142-T144 HydrophobicContact CB-CG2 4.07Å; C142-T144 PolarHBondContact O-N 2.83Å; T144-V146 HydrophobicContact CG2-CG2 4.06Å
145C94.9Very high92.4Very high2 Ų238.5 Ų38.51%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-77.9123.8169.5-80.30000110.1P77 H137P77-C145 WeakPolarHBondContact CD-O 3.44Å; P77-C145 HydrophobicContact CG-CB 3.8Å; H137-C145 WeakPolarHBondContact O-CA 3.45Å
146V95.5Very high92.6Very high0 Ų038.1 Ų38.10%020%0.199CC..EExtended strand (participates in β ladder)trans-107.8125.4-178.4178.40000109.5P74 C136 H137 C139 T144 M149 C159P74-V146 HydrophobicContact CB-CB 4.34Å; P74-V146 HydrophobicContact CB-CG1 3.73Å; P74-V146 HydrophobicContact CB-CG2 3.8Å; P74-V146 HydrophobicContact CG-CG2 4.22Å; C136-V146 WeakPolarHBondContact CA-O 3.27Å; C136-V146 PolarHBondContact SG-O 3.49Å; C136-V146 VanDerWaalsContact SG-O 3.35Å; H137-V146 PolarHBondContact N-O 3.47Å; H137-V146 VanDerWaalsContact N-O 3.17Å; H137-V146 PolarHBondContact O-N 2.98Å; C139-V146 HydrophobicContact CB-CG2 4.47Å; T144-V146 HydrophobicContact CG2-CG2 4.06Å; V146-M149 HydrophobicContact CB-CB 4Å; V146-M149 HydrophobicContact CB-CG 4.2Å; V146-M149 HydrophobicContact CB-SD 4.46Å; V146-M149 HydrophobicContact CG1-CB 4.09Å; V146-M149 HydrophobicContact CG1-CG 4.34Å; V146-C159 HydrophobicContact CG1-CB 4.45Å; V146-C159 HydrophobicContact CG2-CB 3.98Å
147L94.3Very high92.7Very high3 Ų339.6 Ų39.62%0.01621%0.207CC..THydrogen-bonded Turntrans-67138175.4-61.8-177.7000110.7A75 P77 P133 C136 M149 F162A75-L147 HydrophobicContact CB-CB 4.25Å; A75-L147 HydrophobicContact CB-CD1 3.9Å; A75-L147 HydrophobicContact CB-CG 4.3Å; A75-L147 WeakPolarHBondContact O-CG 3.41Å; A75-L147 PolarHBondContact O-N 3.05Å; P77-L147 HydrophobicContact CB-CD2 4.43Å; P77-L147 HydrophobicContact CG-CD2 3.92Å; P133-L147 HydrophobicContact CB-CD2 4.28Å; P133-L147 HydrophobicContact CG-CD2 3.84Å; C136-L147 HydrophobicContact CB-CD2 4.23Å; L147-M149 PolarHBondContact O-N 3.29Å; L147-M149 VanDerWaalsContact O-N 3.14Å; L147-F162 HydrophobicContact CB-CB 4Å; L147-F162 WeakPolarHBondContact O-CB 3.49Å; L147-F162 PolarHBondContact O-N 3.4Å
148K93.1Very high92.8Very high18 Ų1837.6 Ų37.68%0.07820%0.198CC..THydrogen-bonded Turntrans42.745.9-175-158-176.7-179.5171.90112.2R135 D150 G161 F162 N235 F290R135-K148 HydrophobicContact CB-CG 4.47Å; R135-K148 VanDerWaalsContact O-CA 3.24Å; R135-K148 WeakPolarHBondContact O-CA 3.45Å; R135-K148 PolarHBondContact O-N 3Å; K148-D150 PolarHBondContact O-N 3.27Å; K148-G161 WeakPolarHBondContact O-CA 3.39Å; K148-F162 HydrophobicContact CB-CB 3.83Å; K148-F162 HydrophobicContact CB-CD2 4.34Å; K148-F162 HydrophobicContact CD-CD2 4.19Å; K148-N235 PolarHBondContact NZ-OD1 3.42Å; K148-F290 HydrophobicContact CB-CE1 4.3Å; K148-F290 HydrophobicContact CB-CZ 3.83Å; K148-F290 HydrophobicContact CD-CE1 3.8Å; K148-F290 HydrophobicContact CD-CZ 4.21Å; K148-F290 HydrophobicContact CG-CE1 4.23Å; K148-F290 HydrophobicContact CG-CZ 4.15Å
149M93.5Very high92.9Very high15 Ų1535.6 Ų35.67%0.07419%0.189CC..  trans-59128.6-176.6-175.3178.9167.900109.9R135 H137 C139 V146 L147 L239R135-M149 PolarHBondContact O-N 3.4Å; H137-M149 HydrophobicContact CB-CB 3.98Å; H137-M149 HydrophobicContact CB-CG 4.39Å; H137-M149 HydrophobicContact CB-SD 3.7Å; C139-M149 HydrophobicContact CB-CE 3.75Å; C139-M149 HydrophobicContact CB-SD 4.03Å; V146-M149 HydrophobicContact CB-CB 4Å; V146-M149 HydrophobicContact CB-CG 4.2Å; V146-M149 HydrophobicContact CB-SD 4.46Å; V146-M149 HydrophobicContact CG1-CB 4.09Å; V146-M149 HydrophobicContact CG1-CG 4.34Å; L147-M149 PolarHBondContact O-N 3.29Å; L147-M149 VanDerWaalsContact O-N 3.14Å; M149-L239 HydrophobicContact CB-CD1 4.01Å; M149-L239 HydrophobicContact CG-CD1 3.93Å; M149-L239 WeakPolarHBondContact O-CD1 3.18Å; M149-L239 HydrophobicContact SD-CD1 4.14Å
150D92.8Very high93.1Very high2 Ų235.4 Ų35.41%0.01119%0.188CC..  trans-100.4-58.9175.2-165.978.4000110.9K148 V160 Y165 H228 S237 T238 L239K148-D150 PolarHBondContact O-N 3.27Å; D150-V160 HydrophobicContact CB-CG1 4.27Å; D150-V160 PolarHBondContact N-O 3.39Å; D150-Y165 HydrophobicContact CB-CD2 4.38Å; D150-Y165 HydrophobicContact CB-CE2 4.31Å; D150-H228 IonicContact OD2-CE1 3.2Å; D150-H228 PolarHBondContact OD2-CE1 2.92Å; D150-S237 VanDerWaalsContact OD1-CA 3.28Å; D150-S237 WeakPolarHBondContact OD1-CA 3.38Å; D150-S237 WeakPolarHBondContact OD1-CB 3.46Å; D150-T238 VanDerWaalsContact CG-OG1 3.26Å; D150-T238 PolarHBondContact OD1-N 2.81Å; D150-T238 PolarHBondContact OD1-OG1 3.41Å; D150-T238 WeakPolarHBondContact OD2-CB 3.12Å; D150-T238 PolarHBondContact OD2-OG1 2.89Å; D150-L239 WeakPolarHBondContact O-CG 3.38Å
151H92.9Very high93.3Very high41 Ų4131.8 Ų31.819%0.1916%0.162CC..EExtended strand (participates in β ladder)trans-163.7165173.361.8-79.9000110.8V160 F168H151-V160 PolarHBondContact N-O 2.76Å; H151-V160 PolarHBondContact O-N 2.94Å; H151-F168 AromaticContact CE1-CE1 3.83Å; H151-F168 AromaticContact CE1-CZ 3.75Å; H151-F168 AromaticContact NE2-CZ 3.87Å
152H92.7Very high93.6Very high46 Ų4628.9 Ų28.921%0.21314%0.144CC..EExtended strand (participates in β ladder)trans-89.1124.3164.4-177.384.8000108.4V141 C142 C159V141-H152 VanDerWaalsContact CG1-CE1 3.41Å; V141-H152 WeakPolarHBondContact CG1-CE1 3.17Å; V141-H152 WeakPolarHBondContact CG1-NE2 3.42Å; C142-H152 PolarHBondContact SG-ND1 3.24Å; H152-C159 PolarHBondContact ND1-SG 3.44Å; H152-C159 VanDerWaalsContact ND1-SG 3.43Å
153C93.9Very high93.9Very high9 Ų927.9 Ų27.96%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-110.1110.2-176-176.60000110.1W155 V156 N157 N158 V160C153-W155 PolarHBondContact O-N 3.45Å; C153-V156 HydrophobicContact CB-CG2 3.64Å; C153-V156 WeakPolarHBondContact O-CG2 3.32Å; C153-V156 PolarHBondContact O-N 3Å; C153-N157 PolarHBondContact O-N 2.85Å; C153-N157 VanDerWaalsContact O-N 3.16Å; C153-N158 PolarHBondContact N-O 3.36Å; C153-N158 PolarHBondContact O-N 3.2Å; C153-V160 HydrophobicContact CB-CG2 3.98Å
154P92.8Very high94.1Very high67 Ų6721.5 Ų21.544%0.43511%0.107SC..G310 helixtrans-60-32.4178.6-24.434.6000112.9P18 V156 N157P18-P154 WeakPolarHBondContact CB-O 3.31Å; P18-P154 HydrophobicContact CG-CB 4.23Å; P154-V156 PolarHBondContact O-N 3.44Å; P154-N157 PolarHBondContact O-N 3.02Å
155W93.3Very high94.1Very high135 Ų13520.3 Ų20.351%0.51110%0.099SC..G310 helixtrans-67-20.3-177.6-57.6106.6000114.7P18 I22 Y66 C153P18-W155 HydrophobicContact CB-CE3 3.98Å; P18-W155 HydrophobicContact CB-CZ3 4.43Å; I22-W155 HydrophobicContact CD1-CE3 3.81Å; I22-W155 HydrophobicContact CD1-CZ3 3.91Å; I22-W155 HydrophobicContact CG1-CE3 3.68Å; I22-W155 HydrophobicContact CG1-CZ3 4.12Å; Y66-W155 PolarHBondContact OH-O 2.96Å; C153-W155 PolarHBondContact O-N 3.45Å
156V94.1Very high94.1Very high0 Ų020.3 Ų20.30%010%0.098CC..G310 helixtrans-113.34.1172-63.10000111.9Y66 I70 C153 P154 N158Y66-V156 HydrophobicContact CD2-CG1 4.15Å; Y66-V156 HydrophobicContact CE2-CG1 3.81Å; I70-V156 HydrophobicContact CG1-CB 3.9Å; I70-V156 HydrophobicContact CG1-CG1 4.28Å; C153-V156 HydrophobicContact CB-CG2 3.64Å; C153-V156 WeakPolarHBondContact O-CG2 3.32Å; C153-V156 PolarHBondContact O-N 3Å; P154-V156 PolarHBondContact O-N 3.44Å; V156-N158 HydrophobicContact CG2-CB 4.15Å; V156-N158 WeakPolarHBondContact O-CB 3.39Å; V156-N158 PolarHBondContact O-N 2.78Å
157N94Very high94.2Very high31 Ų3120.4 Ų20.417%0.16610%0.099CC..THydrogen-bonded Turntrans45.836.5-174.8-170.228.3000113S15 W16 V19 C153 P154S15-N157 WeakPolarHBondContact CB-OD1 3.36Å; S15-N157 VanDerWaalsContact O-CG 3.31Å; S15-N157 PolarHBondContact O-OD1 3.02Å; S15-N157 PolarHBondContact OG-ND2 2.89Å; S15-N157 PolarHBondContact OG-OD1 3.22Å; W16-N157 PolarHBondContact NE1-ND2 3.13Å; V19-N157 HydrophobicContact CG2-CB 3.69Å; C153-N157 PolarHBondContact O-N 2.85Å; C153-N157 VanDerWaalsContact O-N 3.16Å; P154-N157 PolarHBondContact O-N 3.02Å
158N94.8Very high94.2Very high15 Ų1520.4 Ų20.48%0.0810%0.099CC..EExtended strand (participates in β ladder)trans-151.8156.7-172.4-163.78.8000111.5S69 I70 T72 P74 C153 V156S69-N158 PolarHBondContact O-ND2 3.07Å; I70-N158 PolarHBondContact O-ND2 3.07Å; T72-N158 PolarHBondContact O-ND2 3.37Å; P74-N158 WeakPolarHBondContact CD-OD1 3.14Å; C153-N158 PolarHBondContact N-O 3.36Å; C153-N158 PolarHBondContact O-N 3.2Å; V156-N158 HydrophobicContact CG2-CB 4.15Å; V156-N158 WeakPolarHBondContact O-CB 3.39Å; V156-N158 PolarHBondContact O-N 2.78Å
159C94.9Very high94.3Very high0 Ų019.9 Ų19.90%010%0.096CC..EExtended strand (participates in β ladder)trans-78.1126173.2-78.70000110.2P74 C139 C142 V146 H152 N164P74-C159 HydrophobicContact CB-CB 4.11Å; P74-C159 HydrophobicContact CG-CB 4.25Å; C139-C159 WeakPolarHBondContact CB-SG 3.22Å; C139-C159 PolarHBondContact SG-SG 3.27Å; C142-C159 HydrophobicContact CB-CB 4.41Å; C142-C159 WeakPolarHBondContact CB-SG 3.42Å; C142-C159 WeakPolarHBondContact SG-CB 3.4Å; C142-C159 CovalentContact SG-SG 2.07Å; C142-C159 PolarHBondContact SG-SG 2.86Å; V146-C159 HydrophobicContact CG1-CB 4.45Å; V146-C159 HydrophobicContact CG2-CB 3.98Å; H152-C159 PolarHBondContact ND1-SG 3.44Å; H152-C159 VanDerWaalsContact ND1-SG 3.43Å; C159-N164 PolarHBondContact O-ND2 2.92Å; C159-N164 PolarHBondContact O-OD1 3.01Å
160V96.3Very high94.5Very high1 Ų119.4 Ų19.41%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-85.7119.7170.9-176.90000108.4D150 H151 C153 N164 Y165 F168D150-V160 HydrophobicContact CB-CG1 4.27Å; D150-V160 PolarHBondContact N-O 3.39Å; H151-V160 PolarHBondContact N-O 2.76Å; H151-V160 PolarHBondContact O-N 2.94Å; C153-V160 HydrophobicContact CB-CG2 3.98Å; V160-N164 WeakPolarHBondContact CA-OD1 3.46Å; V160-Y165 HydrophobicContact CG1-CD2 3.79Å; V160-F168 HydrophobicContact CG1-CB 3.96Å; V160-F168 HydrophobicContact CG1-CD1 4.08Å; V160-F168 HydrophobicContact CG1-CG 3.98Å; V160-F168 HydrophobicContact CG2-CB 4.42Å; V160-F168 HydrophobicContact CG2-CD2 3.91Å; V160-F168 HydrophobicContact CG2-CE2 4.33Å; V160-F168 HydrophobicContact CG2-CG 4.06Å
161G94.4Very high94.6Very high0 Ų020.2 Ų20.20%010%0.098CC..SBendtrans-158-155.9-178.200000111.9K148 S163 N164 Y165K148-G161 WeakPolarHBondContact O-CA 3.39Å; G161-S163 VanDerWaalsContact C-N 3.32Å; G161-S163 PolarHBondContact O-N 2.91Å; G161-N164 PolarHBondContact N-OD1 3.16Å; G161-N164 PolarHBondContact O-N 2.67Å; G161-N164 PolarHBondContact O-OD1 3.43Å; G161-Y165 VanDerWaalsContact O-CB 3.22Å; G161-Y165 WeakPolarHBondContact O-CB 3.48Å; G161-Y165 PolarHBondContact O-N 2.8Å
162F94.2Very high94.8Very high14 Ų1418.4 Ų18.46%0.0619%0.089CC..THydrogen-bonded Turntrans-53.1-43.1-171.2-177.4-107.1000114.6A75 L147 K148 F281 Q284 G285 F290A75-F162 HydrophobicContact CB-CD1 4.48Å; L147-F162 HydrophobicContact CB-CB 4Å; L147-F162 WeakPolarHBondContact O-CB 3.49Å; L147-F162 PolarHBondContact O-N 3.4Å; K148-F162 HydrophobicContact CB-CB 3.83Å; K148-F162 HydrophobicContact CB-CD2 4.34Å; K148-F162 HydrophobicContact CD-CD2 4.19Å; F162-F281 HydrophobicContact CD1-CZ 4.46Å; F162-F281 HydrophobicContact CE1-CE2 4.4Å; F162-F281 AromaticContact CE1-CZ 3.78Å; F162-F281 HydrophobicContact CE1-CZ 3.78Å; F162-F281 HydrophobicContact CZ-CZ 4.15Å; F162-Q284 WeakPolarHBondContact CE2-O 3.42Å; F162-G285 WeakPolarHBondContact CZ-O 3.17Å; F162-F290 HydrophobicContact CD2-CE1 4.18Å; F162-F290 HydrophobicContact CD2-CZ 4.42Å; F162-F290 HydrophobicContact CE2-CE1 4.31Å
163S94.3Very high94.9Very high15 Ų1517.6 Ų17.611%0.1059%0.091CC..THydrogen-bonded Turntrans-74.8-30.2-173.750.40000114.5P73 P74 A75 G161 F167 F281P73-S163 PolarHBondContact O-OG 3.39Å; P74-S163 WeakPolarHBondContact CA-OG 3.38Å; A75-S163 PolarHBondContact N-OG 3.33Å; A75-S163 VanDerWaalsContact N-OG 3.17Å; G161-S163 VanDerWaalsContact C-N 3.32Å; G161-S163 PolarHBondContact O-N 2.91Å; S163-F167 WeakPolarHBondContact O-CE2 3.4Å; S163-F281 WeakPolarHBondContact O-CD2 3.3Å
164N95.4Very high95Very high0 Ų018.9 Ų18.90%09%0.094CC..THydrogen-bonded Turntrans-123.12.1-171.765.1-12.4000114.3T72 C159 V160 G161 K166 F167 F168T72-N164 HydrophobicContact CG2-CB 4.21Å; C159-N164 PolarHBondContact O-ND2 2.92Å; C159-N164 PolarHBondContact O-OD1 3.01Å; V160-N164 WeakPolarHBondContact CA-OD1 3.46Å; G161-N164 PolarHBondContact N-OD1 3.16Å; G161-N164 PolarHBondContact O-N 2.67Å; G161-N164 PolarHBondContact O-OD1 3.43Å; N164-K166 VanDerWaalsContact C-N 3.33Å; N164-K166 PolarHBondContact O-N 3.26Å; N164-F167 HydrophobicContact CB-CD2 4.02Å; N164-F167 PolarHBondContact O-N 3.36Å; N164-F167 VanDerWaalsContact O-N 3.08Å; N164-F168 PolarHBondContact O-N 3.38Å
165Y95.1Very high95.1Very high13 Ų1315.9 Ų15.95%0.0518%0.075CC..Hα-helixtrans-57.1-44179.6-169.1-121.7000112.6D150 V160 G161 F167 F168 L169 H228 V232 V268D150-Y165 HydrophobicContact CB-CD2 4.38Å; D150-Y165 HydrophobicContact CB-CE2 4.31Å; V160-Y165 HydrophobicContact CG1-CD2 3.79Å; G161-Y165 VanDerWaalsContact O-CB 3.22Å; G161-Y165 WeakPolarHBondContact O-CB 3.48Å; G161-Y165 PolarHBondContact O-N 2.8Å; Y165-F167 VanDerWaalsContact C-N 3.35Å; Y165-F167 PolarHBondContact O-N 2.97Å; Y165-F168 PolarHBondContact O-N 3.06Å; Y165-L169 HydrophobicContact CD1-CD1 4.13Å; Y165-L169 HydrophobicContact CE1-CD1 3.89Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.41Å; Y165-L169 PolarHBondContact O-N 3.29Å; Y165-H228 AromaticContact CE2-ND1 3.9Å; Y165-H228 PolarHBondContact OH-ND1 3.42Å; Y165-V232 HydrophobicContact CE1-CG2 3.7Å; Y165-V268 HydrophobicContact CD1-CG1 3.87Å; Y165-V268 HydrophobicContact CD1-CG2 4.15Å; Y165-V268 HydrophobicContact CE1-CG1 4.38Å; Y165-V268 HydrophobicContact CE1-CG2 4.26Å
166K95Very high95.2Very high2 Ų211.6 Ų11.61%0.0096%0.061CC..Hα-helixtrans-59.1-45.4174.6-178.1-172.9171.2-168.40111.6N164 F168 L169 L170 V268 F269 L275 W276 I278 V280 T282N164-K166 VanDerWaalsContact C-N 3.33Å; N164-K166 PolarHBondContact O-N 3.26Å; K166-F168 VanDerWaalsContact C-N 3.29Å; K166-F168 PolarHBondContact O-N 2.96Å; K166-L169 PolarHBondContact O-N 2.85Å; K166-L170 HydrophobicContact CG-CD1 4.28Å; K166-L170 WeakPolarHBondContact O-CG 3.32Å; K166-L170 PolarHBondContact O-N 2.96Å; K166-V268 HydrophobicContact CB-CG1 4.3Å; K166-F269 HydrophobicContact CG-CD1 4.3Å; K166-F269 HydrophobicContact CG-CE1 4.45Å; K166-L275 PolarHBondContact NZ-O 3.45Å; K166-W276 WeakPolarHBondContact CE-O 3.33Å; K166-I278 PolarHBondContact NZ-O 3.08Å; K166-I278 VanDerWaalsContact NZ-O 3.15Å; K166-V280 PolarHBondContact NZ-O 3.38Å; K166-T282 PolarHBondContact NZ-OG1 3.36Å
167F96Very high95.3Very high2 Ų215.7 Ų15.71%0.0098%0.083CC..Hα-helixtrans-62.8-39.2179.5-53-35.5000111.6K68 S69 T72 S163 N164 Y165 L170 F171 P279 F281K68-F167 HydrophobicContact CB-CB 4.17Å; K68-F167 HydrophobicContact CB-CD1 4.33Å; K68-F167 HydrophobicContact CB-CD2 4Å; K68-F167 HydrophobicContact CB-CG 3.91Å; S69-F167 VanDerWaalsContact OG-C 3.23Å; S69-F167 PolarHBondContact OG-O 3.09Å; T72-F167 HydrophobicContact CG2-CD2 4.26Å; T72-F167 HydrophobicContact CG2-CE2 3.86Å; T72-F167 WeakPolarHBondContact OG1-CE2 3.42Å; S163-F167 WeakPolarHBondContact O-CE2 3.4Å; N164-F167 HydrophobicContact CB-CD2 4.02Å; N164-F167 PolarHBondContact O-N 3.36Å; N164-F167 VanDerWaalsContact O-N 3.08Å; Y165-F167 VanDerWaalsContact C-N 3.35Å; Y165-F167 PolarHBondContact O-N 2.97Å; F167-L170 PolarHBondContact O-N 3Å; F167-F171 VanDerWaalsContact O-CB 3.29Å; F167-F171 WeakPolarHBondContact O-CB 3.46Å; F167-F171 PolarHBondContact O-N 3.38Å; F167-P279 HydrophobicContact CD1-CB 4Å; F167-P279 HydrophobicContact CE1-CB 4.4Å; F167-P279 VanDerWaalsContact CE1-O 3.23Å; F167-P279 WeakPolarHBondContact CE1-O 3.36Å; F167-F281 HydrophobicContact CZ-CB 4.04Å
168F95.8Very high95.3Very high3 Ų314.8 Ų14.81%0.0138%0.077CC..Hα-helixtrans-64.2-44.3175.9179-102.7000112.2S69 H151 V160 N164 Y165 K166 L170 F171 L172 L224 H228S69-F168 PolarHBondContact OG-N 3.32Å; H151-F168 AromaticContact CE1-CE1 3.83Å; H151-F168 AromaticContact CE1-CZ 3.75Å; H151-F168 AromaticContact NE2-CZ 3.87Å; V160-F168 HydrophobicContact CG1-CB 3.96Å; V160-F168 HydrophobicContact CG1-CD1 4.08Å; V160-F168 HydrophobicContact CG1-CG 3.98Å; V160-F168 HydrophobicContact CG2-CB 4.42Å; V160-F168 HydrophobicContact CG2-CD2 3.91Å; V160-F168 HydrophobicContact CG2-CE2 4.33Å; V160-F168 HydrophobicContact CG2-CG 4.06Å; N164-F168 PolarHBondContact O-N 3.38Å; Y165-F168 PolarHBondContact O-N 3.06Å; K166-F168 VanDerWaalsContact C-N 3.29Å; K166-F168 PolarHBondContact O-N 2.96Å; F168-L170 PolarHBondContact O-N 3.29Å; F168-F171 HydrophobicContact CD2-CD1 4.21Å; F168-F171 HydrophobicContact CE2-CD1 4.39Å; F168-F171 WeakPolarHBondContact O-CB 3.46Å; F168-F171 PolarHBondContact O-N 3.49Å; F168-L172 HydrophobicContact CD1-CD1 4.18Å; F168-L172 HydrophobicContact CE1-CD1 3.57Å; F168-L172 HydrophobicContact CE1-CG 4.17Å; F168-L172 HydrophobicContact CE2-CD2 4.44Å; F168-L172 HydrophobicContact CE2-CG 4.5Å; F168-L172 HydrophobicContact CZ-CD1 3.86Å; F168-L172 HydrophobicContact CZ-CD2 4.19Å; F168-L172 HydrophobicContact CZ-CG 4.14Å; F168-L172 WeakPolarHBondContact O-CG 3.13Å; F168-L172 PolarHBondContact O-N 2.82Å; F168-L224 HydrophobicContact CZ-CD2 4.4Å; F168-H228 AromaticContact CE1-CD2 3.85Å; F168-H228 AromaticContact CE1-CE1 3.9Å; F168-H228 AromaticContact CE1-NE2 3.56Å
169L95.3Very high95.3Very high6 Ų614.6 Ų14.63%0.0318%0.077CC..Hα-helixtrans-62-43.2175.7-66.9176.9000112.2Y165 K166 L172 A173 H228 V232 V268 F269Y165-L169 HydrophobicContact CD1-CD1 4.13Å; Y165-L169 HydrophobicContact CE1-CD1 3.89Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 WeakPolarHBondContact O-CG 3.41Å; Y165-L169 PolarHBondContact O-N 3.29Å; K166-L169 PolarHBondContact O-N 2.85Å; L169-L172 PolarHBondContact O-N 3.37Å; L169-A173 PolarHBondContact O-N 2.97Å; L169-H228 HydrophobicContact CD2-CB 3.61Å; L169-V232 HydrophobicContact CD1-CG2 3.59Å; L169-V232 HydrophobicContact CD2-CG2 4.33Å; L169-V268 HydrophobicContact CD1-CG1 3.86Å; L169-F269 HydrophobicContact CD1-CE2 4.34Å; L169-F269 HydrophobicContact CD1-CZ 4.01Å
170L95.9Very high95.3Very high6 Ų617.6 Ų17.63%0.03110%0.095CC..Hα-helixtrans-65.5-41.1175.9-68.4178.5000111.3T65 K166 F167 F168 L172 A173 Y174 F269 W276 P279T65-L170 HydrophobicContact CG2-CB 3.87Å; K166-L170 HydrophobicContact CG-CD1 4.28Å; K166-L170 WeakPolarHBondContact O-CG 3.32Å; K166-L170 PolarHBondContact O-N 2.96Å; F167-L170 PolarHBondContact O-N 3Å; F168-L170 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 3.36Å; L170-A173 PolarHBondContact O-N 3.19Å; L170-Y174 HydrophobicContact CB-CD2 4.16Å; L170-Y174 HydrophobicContact CB-CE2 4.21Å; L170-Y174 HydrophobicContact CD2-CE2 4.24Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 WeakPolarHBondContact O-CD2 3.23Å; L170-Y174 PolarHBondContact O-N 2.76Å; L170-F269 HydrophobicContact CD2-CE1 4.39Å; L170-W276 WeakPolarHBondContact CD2-O 3.47Å; L170-P279 HydrophobicContact CD1-CB 4.45Å
171F96.3Very high95.2Very high19 Ų1919.1 Ų19.18%0.08310%0.102CC..Hα-helixtrans-55.8-47.9173.4160.3-109.9000111.1F62 Y66 F167 F168 A173 S175F62-F171 HydrophobicContact CD2-CE2 4.43Å; F62-F171 HydrophobicContact CE2-CD2 4.21Å; F62-F171 AromaticContact CE2-CE2 3.68Å; F62-F171 HydrophobicContact CE2-CE2 3.68Å; F62-F171 HydrophobicContact CZ-CE2 4.02Å; Y66-F171 AromaticContact CD2-CD2 3.73Å; Y66-F171 HydrophobicContact CD2-CD2 3.73Å; Y66-F171 HydrophobicContact CD2-CE1 4.47Å; Y66-F171 AromaticContact CD2-CE2 3.35Å; Y66-F171 HydrophobicContact CD2-CE2 3.35Å; Y66-F171 HydrophobicContact CD2-CG 4.43Å; Y66-F171 AromaticContact CD2-CZ 3.77Å; Y66-F171 HydrophobicContact CD2-CZ 3.77Å; Y66-F171 HydrophobicContact CE2-CE2 4.04Å; Y66-F171 HydrophobicContact CE2-CZ 4.04Å; Y66-F171 HydrophobicContact CG-CD2 4.21Å; Y66-F171 AromaticContact CG-CE2 3.98Å; Y66-F171 HydrophobicContact CG-CE2 3.98Å; F167-F171 VanDerWaalsContact O-CB 3.29Å; F167-F171 WeakPolarHBondContact O-CB 3.46Å; F167-F171 PolarHBondContact O-N 3.38Å; F168-F171 HydrophobicContact CD2-CD1 4.21Å; F168-F171 HydrophobicContact CE2-CD1 4.39Å; F168-F171 WeakPolarHBondContact O-CB 3.46Å; F168-F171 PolarHBondContact O-N 3.49Å; F171-A173 PolarHBondContact O-N 3.15Å; F171-S175 WeakPolarHBondContact CD2-OG 3.22Å; F171-S175 VanDerWaalsContact CE2-OG 3.25Å; F171-S175 WeakPolarHBondContact CE2-OG 3.27Å; F171-S175 WeakPolarHBondContact O-CB 3.46Å; F171-S175 PolarHBondContact O-N 3.04Å; F171-S175 PolarHBondContact O-OG 3.35Å
172L95.8Very high95.1Very high2 Ų219.3 Ų19.31%0.0110%0.103CC..Hα-helixtrans-60.6-45.5176.2-66.5-179.8000112.2F168 L169 L170 S175 M176 L221 L224 F225F168-L172 HydrophobicContact CD1-CD1 4.18Å; F168-L172 HydrophobicContact CE1-CD1 3.57Å; F168-L172 HydrophobicContact CE1-CG 4.17Å; F168-L172 HydrophobicContact CE2-CD2 4.44Å; F168-L172 HydrophobicContact CE2-CG 4.5Å; F168-L172 HydrophobicContact CZ-CD1 3.86Å; F168-L172 HydrophobicContact CZ-CD2 4.19Å; F168-L172 HydrophobicContact CZ-CG 4.14Å; F168-L172 WeakPolarHBondContact O-CG 3.13Å; F168-L172 PolarHBondContact O-N 2.82Å; L169-L172 PolarHBondContact O-N 3.37Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-N 2.9Å; L172-M176 WeakPolarHBondContact O-CB 3.46Å; L172-M176 PolarHBondContact O-N 2.9Å; L172-L221 HydrophobicContact CD2-CD2 3.68Å; L172-L224 HydrophobicContact CD1-CD2 4.29Å; L172-L224 HydrophobicContact CD1-CG 4.05Å; L172-L224 HydrophobicContact CD2-CD2 3.77Å; L172-L224 HydrophobicContact CD2-CG 4.33Å; L172-F225 HydrophobicContact CB-CB 4.42Å; L172-F225 HydrophobicContact CB-CD2 3.81Å
173A95.4Very high95Very high29 Ų2920.1 Ų20.124%0.2411%0.109CC..Hα-helixtrans-63.4-47.5-18000000112.5L169 L170 F171 M176 L177 F225L169-A173 PolarHBondContact O-N 2.97Å; L170-A173 PolarHBondContact O-N 3.19Å; F171-A173 PolarHBondContact O-N 3.15Å; A173-M176 PolarHBondContact O-N 3.01Å; A173-L177 PolarHBondContact O-N 3.44Å; A173-F225 HydrophobicContact CB-CE2 3.84Å; A173-F225 HydrophobicContact CB-CZ 4.11Å
174Y96.1Very high94.9Very high36 Ų3622 Ų2214%0.14113%0.125CC..Hα-helixtrans-70.2-32.3178.3-75.3-64000112.6M61 T65 L170 M176 L177 Y178 F277M61-Y174 HydrophobicContact CB-CD1 3.75Å; M61-Y174 HydrophobicContact CB-CD2 4.39Å; M61-Y174 HydrophobicContact CB-CE1 3.8Å; M61-Y174 HydrophobicContact CB-CE2 4.43Å; M61-Y174 HydrophobicContact CB-CG 4.07Å; M61-Y174 HydrophobicContact CE-CE1 4.24Å; M61-Y174 HydrophobicContact CE-CE2 3.75Å; M61-Y174 WeakPolarHBondContact CE-OH 3.44Å; M61-Y174 HydrophobicContact CG-CE1 4.15Å; T65-Y174 HydrophobicContact CG2-CD2 3.64Å; T65-Y174 HydrophobicContact CG2-CE2 4Å; L170-Y174 HydrophobicContact CB-CD2 4.16Å; L170-Y174 HydrophobicContact CB-CE2 4.21Å; L170-Y174 HydrophobicContact CD2-CE2 4.24Å; L170-Y174 WeakPolarHBondContact O-CB 3.45Å; L170-Y174 WeakPolarHBondContact O-CD2 3.23Å; L170-Y174 PolarHBondContact O-N 2.76Å; Y174-M176 VanDerWaalsContact C-N 3.35Å; Y174-L177 HydrophobicContact CD1-CD2 4.37Å; Y174-L177 PolarHBondContact O-N 3.3Å; Y174-Y178 VanDerWaalsContact O-CB 3.23Å; Y174-Y178 WeakPolarHBondContact O-CB 3.45Å; Y174-Y178 PolarHBondContact O-N 2.85Å; Y174-F277 WeakPolarHBondContact CE2-O 3.41Å; Y174-F277 WeakPolarHBondContact OH-CB 3.41Å; Y174-F277 PolarHBondContact OH-O 2.93Å
175S95.2Very high94.7Very high4 Ų422.3 Ų22.33%0.02813%0.127CC..Hα-helixtrans-62.8-43.7171.5-57.50000111.3F62 F171 L172 Y178 C179F62-S175 WeakPolarHBondContact CD2-OG 3.4Å; F62-S175 WeakPolarHBondContact CE2-OG 3.27Å; F171-S175 WeakPolarHBondContact CD2-OG 3.22Å; F171-S175 VanDerWaalsContact CE2-OG 3.25Å; F171-S175 WeakPolarHBondContact CE2-OG 3.27Å; F171-S175 WeakPolarHBondContact O-CB 3.46Å; F171-S175 PolarHBondContact O-N 3.04Å; F171-S175 PolarHBondContact O-OG 3.35Å; L172-S175 PolarHBondContact O-N 2.9Å; S175-Y178 PolarHBondContact O-N 3.38Å; S175-C179 PolarHBondContact O-N 3.25Å; S175-C179 PolarHBondContact O-SG 3.07Å
176M95.4Very high94.4Very high45 Ų4521.7 Ų21.722%0.22213%0.125CC..Hα-helixtrans-65.1-45.7177.2-16717566.400110.9L172 A173 Y174 Y178 C179 V180 F218 M222 F225L172-M176 WeakPolarHBondContact O-CB 3.46Å; L172-M176 PolarHBondContact O-N 2.9Å; A173-M176 PolarHBondContact O-N 3.01Å; Y174-M176 VanDerWaalsContact C-N 3.35Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 2.9Å; M176-C179 PolarHBondContact O-N 3.02Å; M176-V180 WeakPolarHBondContact O-CG2 3.21Å; M176-V180 PolarHBondContact O-N 2.87Å; M176-F218 HydrophobicContact CG-CD2 3.56Å; M176-F218 HydrophobicContact CG-CE2 3.43Å; M176-F218 VanDerWaalsContact CG-CE2 3.43Å; M176-F218 HydrophobicContact SD-CE2 4.04Å; M176-M222 HydrophobicContact SD-CB 4.43Å; M176-F225 HydrophobicContact CE-CD1 3.99Å; M176-F225 HydrophobicContact CE-CE1 4.19Å; M176-F225 HydrophobicContact SD-CD1 4.45Å
177L94.9Very high94.1Very high87 Ų8725.5 Ų25.546%0.45515%0.145SC..Hα-helixtrans-60.5-42175.9-177.361.7000112A173 Y174 V180 F181A173-L177 PolarHBondContact O-N 3.44Å; Y174-L177 HydrophobicContact CD1-CD2 4.37Å; Y174-L177 PolarHBondContact O-N 3.3Å; L177-V180 PolarHBondContact O-N 3.44Å; L177-F181 VanDerWaalsContact O-CB 3.32Å; L177-F181 WeakPolarHBondContact O-CB 3.43Å; L177-F181 PolarHBondContact O-N 2.83Å
178Y94.8Very high93.7Very high12 Ų1230.1 Ų30.15%0.04717%0.166CC..Hα-helixtrans-60-46.8175.4-176.9-107.1000111.6S29 F55 C58 F59 Y174 S175 M176 F181 I182S29-Y178 PolarHBondContact OG-OH 3.46Å; F55-Y178 HydrophobicContact CD2-CE2 4.1Å; F55-Y178 HydrophobicContact CE2-CD2 4.38Å; F55-Y178 AromaticContact CE2-CE2 3.41Å; F55-Y178 HydrophobicContact CE2-CE2 3.41Å; F55-Y178 VanDerWaalsContact CE2-CE2 3.41Å; F55-Y178 AromaticContact CE2-CZ 3.8Å; F55-Y178 AromaticContact CZ-CE2 3.78Å; F55-Y178 HydrophobicContact CZ-CE2 3.78Å; F55-Y178 AromaticContact CZ-CZ 3.95Å; F55-Y178 VanDerWaalsContact CZ-OH 3.27Å; F55-Y178 WeakPolarHBondContact CZ-OH 3.14Å; C58-Y178 HydrophobicContact CB-CD2 4.21Å; F59-Y178 HydrophobicContact CB-CE2 4.28Å; F59-Y178 HydrophobicContact CD2-CE2 4.29Å; Y174-Y178 VanDerWaalsContact O-CB 3.23Å; Y174-Y178 WeakPolarHBondContact O-CB 3.45Å; Y174-Y178 PolarHBondContact O-N 2.85Å; S175-Y178 PolarHBondContact O-N 3.38Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 2.9Å; Y178-F181 PolarHBondContact O-N 3.22Å; Y178-I182 HydrophobicContact CD1-CD1 3.77Å; Y178-I182 HydrophobicContact CD2-CD1 4.39Å; Y178-I182 HydrophobicContact CE1-CD1 3.32Å; Y178-I182 HydrophobicContact CE2-CD1 4.01Å; Y178-I182 HydrophobicContact CG-CD1 4.29Å; Y178-I182 VanDerWaalsContact CZ-CD1 3.47Å; Y178-I182 WeakPolarHBondContact O-CG1 3.49Å; Y178-I182 PolarHBondContact O-N 3.27Å
179C94.9Very high93.1Very high11 Ų1130.3 Ų30.37%0.07417%0.167CC..Hα-helixtrans-65.7-40.5178-63.60000112.5S175 M176 T183 A214 F218S175-C179 PolarHBondContact O-N 3.25Å; S175-C179 PolarHBondContact O-SG 3.07Å; M176-C179 PolarHBondContact O-N 3.02Å; C179-T183 VanDerWaalsContact O-CB 3.31Å; C179-T183 WeakPolarHBondContact O-CB 3.41Å; C179-T183 PolarHBondContact O-N 3.46Å; C179-T183 PolarHBondContact O-OG1 2.8Å; C179-A214 HydrophobicContact CB-CB 4.49Å; C179-F218 HydrophobicContact CB-CB 3.87Å
180V94.7Very high92.6Very high62 Ų6232.1 Ų32.138%0.37618%0.175SC..Hα-helixtrans-63.5-46.1176.2170.90000110.6M176 L177 T183 A184 F218M176-V180 WeakPolarHBondContact O-CG2 3.21Å; M176-V180 PolarHBondContact O-N 2.87Å; L177-V180 PolarHBondContact O-N 3.44Å; V180-T183 PolarHBondContact O-N 2.86Å; V180-A184 VanDerWaalsContact O-CB 3.25Å; V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 3Å; V180-F218 HydrophobicContact CG2-CD2 3.49Å; V180-F218 VanDerWaalsContact CG2-CD2 3.49Å; V180-F218 HydrophobicContact CG2-CE2 3.18Å; V180-F218 HydrophobicContact CG2-CG 4.5Å; V180-F218 HydrophobicContact CG2-CZ 4Å
181F94.1Very high92.2Very high34 Ų3436.3 Ų36.315%0.14920%0.197CC..Hα-helixtrans-61.2-46.8179.8-178.8-97.1000111.6Y33 Y51 V54 F55 L177 Y178 T185Y33-F181 HydrophobicContact CE1-CE1 4.1Å; Y33-F181 HydrophobicContact CE2-CE1 4.48Å; Y33-F181 AromaticContact CZ-CE1 3.68Å; Y33-F181 WeakPolarHBondContact OH-CE1 3.48Å; Y51-F181 HydrophobicContact CD1-CZ 4.49Å; V54-F181 HydrophobicContact CB-CE2 3.83Å; V54-F181 HydrophobicContact CB-CZ 3.82Å; V54-F181 HydrophobicContact CG1-CD2 3.79Å; V54-F181 HydrophobicContact CG1-CE2 3.31Å; V54-F181 HydrophobicContact CG1-CZ 3.73Å; F55-F181 HydrophobicContact CB-CE1 3.82Å; F55-F181 HydrophobicContact CD2-CD1 4.14Å; F55-F181 HydrophobicContact CD2-CE1 4.03Å; F55-F181 HydrophobicContact CG-CE1 4.45Å; L177-F181 VanDerWaalsContact O-CB 3.32Å; L177-F181 WeakPolarHBondContact O-CB 3.43Å; L177-F181 PolarHBondContact O-N 2.83Å; Y178-F181 PolarHBondContact O-N 3.22Å; F181-T185 HydrophobicContact CE1-CG2 4.35Å; F181-T185 HydrophobicContact CE2-CG2 4.11Å; F181-T185 HydrophobicContact CZ-CG2 4.03Å; F181-T185 WeakPolarHBondContact O-CB 3.32Å; F181-T185 WeakPolarHBondContact O-CG2 3.46Å; F181-T185 PolarHBondContact O-N 3.43Å; F181-T185 VanDerWaalsContact O-N 3.1Å; F181-T185 PolarHBondContact O-OG1 3.28Å
182I92.9Very high91.6Very high4 Ų439.6 Ų39.62%0.02121%0.211CC..Hα-helixtrans-58.8-51.3173.9-72172.7000110.4Y33 F55 Y178 A184 T185 V186 L210 A214Y33-I182 HydrophobicContact CD2-CG1 4.27Å; F55-I182 HydrophobicContact CE2-CD1 4.19Å; F55-I182 HydrophobicContact CE2-CG1 4.1Å; Y178-I182 HydrophobicContact CD1-CD1 3.77Å; Y178-I182 HydrophobicContact CD2-CD1 4.39Å; Y178-I182 HydrophobicContact CE1-CD1 3.32Å; Y178-I182 HydrophobicContact CE2-CD1 4.01Å; Y178-I182 HydrophobicContact CG-CD1 4.29Å; Y178-I182 VanDerWaalsContact CZ-CD1 3.47Å; Y178-I182 WeakPolarHBondContact O-CG1 3.49Å; Y178-I182 PolarHBondContact O-N 3.27Å; I182-A184 PolarHBondContact O-N 3.48Å; I182-T185 PolarHBondContact O-N 3.01Å; I182-T185 PolarHBondContact O-OG1 3.09Å; I182-T185 VanDerWaalsContact O-OG1 3.13Å; I182-V186 HydrophobicContact CG2-CG2 4Å; I182-V186 WeakPolarHBondContact O-CB 2.84Å; I182-V186 WeakPolarHBondContact O-CG2 3.47Å; I182-V186 PolarHBondContact O-N 3.35Å; I182-L210 HydrophobicContact CG2-CD1 4.42Å; I182-L210 HydrophobicContact CG2-CD2 3.8Å; I182-L210 HydrophobicContact CG2-CG 3.68Å; I182-A214 HydrophobicContact CB-CB 4.27Å; I182-A214 HydrophobicContact CG2-CB 3.79Å
183T92.6Very high91Very high30 Ų3040.3 Ų40.318%0.18421%0.214CC..Hα-helixtrans-62.5-45.6-175.8-55.60000111.6C179 V180 L187C179-T183 VanDerWaalsContact O-CB 3.31Å; C179-T183 WeakPolarHBondContact O-CB 3.41Å; C179-T183 PolarHBondContact O-N 3.46Å; C179-T183 PolarHBondContact O-OG1 2.8Å; V180-T183 PolarHBondContact O-N 2.86Å; T183-L187 WeakPolarHBondContact O-CB 3.44Å; T183-L187 PolarHBondContact O-N 2.59Å
184A92.1Very high90.4Very high55 Ų5548.8 Ų48.846%0.45524%0.24SC..Hα-helixtrans-64.6-42.2-178.200000112.3V180 I182V180-A184 VanDerWaalsContact O-CB 3.25Å; V180-A184 WeakPolarHBondContact O-CB 3.33Å; V180-A184 PolarHBondContact O-N 3Å; I182-A184 PolarHBondContact O-N 3.48Å
185T90.3Very high89.9Confident7 Ų752.2 Ų52.24%0.04326%0.264CS..Hα-helixtrans-72.2-4817851.80000110.9Y33 Y51 F181 I182 L187 Q188 Y189Y33-T185 VanDerWaalsContact CE2-OG1 3.27Å; Y33-T185 WeakPolarHBondContact CE2-OG1 3.13Å; Y33-T185 PolarHBondContact OH-OG1 3.05Å; Y33-T185 VanDerWaalsContact OH-OG1 3.11Å; Y51-T185 HydrophobicContact CD1-CG2 4.27Å; Y51-T185 HydrophobicContact CD2-CG2 4.28Å; Y51-T185 HydrophobicContact CE1-CG2 3.95Å; Y51-T185 HydrophobicContact CE2-CG2 3.97Å; Y51-T185 HydrophobicContact CG-CG2 4.43Å; F181-T185 HydrophobicContact CE1-CG2 4.35Å; F181-T185 HydrophobicContact CE2-CG2 4.11Å; F181-T185 HydrophobicContact CZ-CG2 4.03Å; F181-T185 WeakPolarHBondContact O-CB 3.32Å; F181-T185 WeakPolarHBondContact O-CG2 3.46Å; F181-T185 PolarHBondContact O-N 3.43Å; F181-T185 VanDerWaalsContact O-N 3.1Å; F181-T185 PolarHBondContact O-OG1 3.28Å; I182-T185 PolarHBondContact O-N 3.01Å; I182-T185 PolarHBondContact O-OG1 3.09Å; I182-T185 VanDerWaalsContact O-OG1 3.13Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 2.91Å; T185-Q188 PolarHBondContact O-N 3.21Å; T185-Y189 VanDerWaalsContact O-CD2 3.25Å; T185-Y189 WeakPolarHBondContact O-CD2 3.27Å
186V88.8Confident89.2Confident0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-62.7-35.7180169.50000112.7L37 I182 Q188 Y189 F190 I207 L210 M211L37-V186 HydrophobicContact CD2-CG2 4.11Å; I182-V186 HydrophobicContact CG2-CG2 4Å; I182-V186 WeakPolarHBondContact O-CB 2.84Å; I182-V186 WeakPolarHBondContact O-CG2 3.47Å; I182-V186 PolarHBondContact O-N 3.35Å; V186-Q188 PolarHBondContact O-N 2.91Å; V186-Y189 PolarHBondContact O-N 2.89Å; V186-F190 WeakPolarHBondContact O-CB 3.34Å; V186-F190 PolarHBondContact O-N 3.34Å; V186-I207 HydrophobicContact CG1-CG2 3.6Å; V186-L210 HydrophobicContact CG2-CD2 3.84Å; V186-M211 HydrophobicContact CG1-CB 3.81Å; V186-M211 HydrophobicContact CG1-CG 4.34Å
187L89.4Confident88.4Confident82 Ų8258.2 Ų58.243%0.42931%0.31SS..Hα-helixtrans-55-40.5-179.4178.662.9000112.1T183 T185 Y189 F190 L191T183-L187 WeakPolarHBondContact O-CB 3.44Å; T183-L187 PolarHBondContact O-N 2.59Å; T185-L187 VanDerWaalsContact C-N 3.33Å; T185-L187 PolarHBondContact O-N 2.91Å; L187-Y189 VanDerWaalsContact C-N 3.35Å; L187-Y189 PolarHBondContact O-N 2.86Å; L187-F190 PolarHBondContact O-N 2.96Å; L187-L191 WeakPolarHBondContact O-CG 3.4Å; L187-L191 PolarHBondContact O-N 3.37Å
188Q86.8Confident87.5Confident99 Ų9956 Ų5646%0.46330%0.299SS..Hα-helixtrans-63.7-41.6178.7-61.7-170.9-11.900111.9T185 V186 K192T185-Q188 PolarHBondContact O-N 3.21Å; V186-Q188 PolarHBondContact O-N 2.91Å; Q188-K192 WeakPolarHBondContact O-CG 3.34Å; Q188-K192 PolarHBondContact O-N 3.24Å
189Y84.1Confident86.5Confident6 Ų660.8 Ų60.82%0.02433%0.331CS..Hα-helixtrans-75.5-34.9178.9-67.3-86.5000112.1L37 T41 I42 E47 Y51 T185 V186 L187 L191 K192 F193L37-Y189 HydrophobicContact CD1-CD1 4.06Å; L37-Y189 HydrophobicContact CD1-CD2 3.76Å; L37-Y189 HydrophobicContact CD1-CE2 4.39Å; L37-Y189 HydrophobicContact CD1-CG 3.6Å; T41-Y189 HydrophobicContact CG2-CD1 3.7Å; T41-Y189 HydrophobicContact CG2-CE1 4.19Å; I42-Y189 HydrophobicContact CD1-CE1 4.47Å; I42-Y189 HydrophobicContact CD1-CE2 4.21Å; I42-Y189 WeakPolarHBondContact CD1-OH 3.33Å; I42-Y189 HydrophobicContact CG1-CE1 3.81Å; I42-Y189 HydrophobicContact CG1-CE2 4.42Å; I42-Y189 VanDerWaalsContact CG1-OH 3.3Å; I42-Y189 WeakPolarHBondContact CG1-OH 3.06Å; E47-Y189 VanDerWaalsContact CD-OH 3.29Å; E47-Y189 PolarHBondContact OE1-OH 3.33Å; Y51-Y189 HydrophobicContact CE2-CE2 4.13Å; T185-Y189 VanDerWaalsContact O-CD2 3.25Å; T185-Y189 WeakPolarHBondContact O-CD2 3.27Å; V186-Y189 PolarHBondContact O-N 2.89Å; L187-Y189 VanDerWaalsContact C-N 3.35Å; L187-Y189 PolarHBondContact O-N 2.86Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 3.45Å; Y189-K192 PolarHBondContact O-N 2.96Å; Y189-F193 WeakPolarHBondContact O-CD2 3.4Å; Y189-F193 PolarHBondContact O-N 3.47Å
190F84.8Confident85.2Confident44 Ų4466.2 Ų66.219%0.19336%0.36CS..Hα-helixtrans-57.4-45.1172.1174.9-96.6000111.3V186 L187 K192 F193 W194 L208 M211V186-F190 WeakPolarHBondContact O-CB 3.34Å; V186-F190 PolarHBondContact O-N 3.34Å; L187-F190 PolarHBondContact O-N 2.96Å; F190-K192 PolarHBondContact O-N 3.46Å; F190-F193 PolarHBondContact O-N 3.5Å; F190-W194 HydrophobicContact CZ-CE3 4.14Å; F190-W194 PolarHBondContact O-N 3.18Å; F190-L208 HydrophobicContact CE2-CD1 4.18Å; F190-M211 HydrophobicContact CB-SD 4.23Å; F190-M211 HydrophobicContact CD1-CE 4.3Å; F190-M211 HydrophobicContact CD1-SD 4.24Å; F190-M211 HydrophobicContact CD2-CE 3.76Å; F190-M211 HydrophobicContact CD2-SD 4.21Å; F190-M211 HydrophobicContact CE1-CE 4.3Å; F190-M211 HydrophobicContact CE2-CE 3.76Å; F190-M211 HydrophobicContact CG-CE 4.04Å; F190-M211 HydrophobicContact CG-SD 3.95Å; F190-M211 HydrophobicContact CZ-CE 4.04Å
191L86.2Confident84.3Confident94 Ų9464.5 Ų64.549%0.49235%0.354SS..Hα-helixtrans-63.1-41.3175.6-68.1173.8000111.9L187 Y189 F193 W194 V195L187-L191 WeakPolarHBondContact O-CG 3.4Å; L187-L191 PolarHBondContact O-N 3.37Å; Y189-L191 VanDerWaalsContact C-N 3.31Å; Y189-L191 PolarHBondContact O-N 3.45Å; L191-F193 VanDerWaalsContact C-N 3.35Å; L191-F193 PolarHBondContact O-N 2.78Å; L191-W194 WeakPolarHBondContact O-CB 3.48Å; L191-W194 PolarHBondContact O-N 3.02Å; L191-W194 VanDerWaalsContact O-N 3.09Å; L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 3.38Å
192K84.6Confident83.4Confident88 Ų8867.3 Ų67.338%0.38338%0.376SS..Hα-helixtrans-61.1-39.7174.8-71.4177.9179.8176.70112.7Q188 Y189 F190 W194 G196 D197 L198Q188-K192 WeakPolarHBondContact O-CG 3.34Å; Q188-K192 PolarHBondContact O-N 3.24Å; Y189-K192 PolarHBondContact O-N 2.96Å; F190-K192 PolarHBondContact O-N 3.46Å; K192-W194 VanDerWaalsContact C-N 3.31Å; K192-W194 PolarHBondContact O-N 2.69Å; K192-G196 PolarHBondContact O-N 3.13Å; K192-D197 HydrophobicContact CB-CB 4.5Å; K192-D197 PolarHBondContact O-N 2.66Å; K192-D197 VanDerWaalsContact O-N 3.08Å; K192-L198 HydrophobicContact CB-CD1 3.88Å; K192-L198 HydrophobicContact CB-CG 4.33Å
193F82.8Confident82.5Confident18 Ų1867.9 Ų67.98%0.07938%0.381CS..Hα-helixtrans-66.2-32.3172.8-81.1-68.1000113.1T41 Y189 F190 L191 L198 K204 I207T41-F193 HydrophobicContact CG2-CE2 4.32Å; T41-F193 HydrophobicContact CG2-CZ 4.33Å; Y189-F193 WeakPolarHBondContact O-CD2 3.4Å; Y189-F193 PolarHBondContact O-N 3.47Å; F190-F193 PolarHBondContact O-N 3.5Å; L191-F193 VanDerWaalsContact C-N 3.35Å; L191-F193 PolarHBondContact O-N 2.78Å; F193-L198 HydrophobicContact CD1-CB 3.61Å; F193-L198 HydrophobicContact CD1-CD1 4.31Å; F193-L198 HydrophobicContact CD2-CD1 3.99Å; F193-L198 HydrophobicContact CE1-CB 3.47Å; F193-L198 VanDerWaalsContact CE1-CB 3.47Å; F193-L198 HydrophobicContact CE1-CD1 4.08Å; F193-L198 HydrophobicContact CE1-CG 4.42Å; F193-L198 HydrophobicContact CE2-CD1 3.7Å; F193-L198 HydrophobicContact CG-CB 4.27Å; F193-L198 HydrophobicContact CG-CD1 4.26Å; F193-L198 HydrophobicContact CZ-CB 4Å; F193-L198 HydrophobicContact CZ-CD1 3.77Å; F193-K204 HydrophobicContact CD1-CB 4.35Å; F193-K204 HydrophobicContact CD1-CG 4.31Å; F193-K204 HydrophobicContact CE1-CB 4.28Å; F193-K204 HydrophobicContact CG-CG 4.48Å; F193-I207 HydrophobicContact CD2-CD1 4.49Å; F193-I207 HydrophobicContact CE2-CD1 3.5Å; F193-I207 VanDerWaalsContact CE2-CD1 3.5Å; F193-I207 HydrophobicContact CZ-CD1 4.04Å
194W82.6Confident81.9Confident207 Ų20769.9 Ų69.978%0.78439%0.388SS*.Hα-helixtrans-75.1-37.9179.4-165.1-88.1000112.5F190 L191 K192 G196F190-W194 HydrophobicContact CZ-CE3 4.14Å; F190-W194 PolarHBondContact O-N 3.18Å; L191-W194 WeakPolarHBondContact O-CB 3.48Å; L191-W194 PolarHBondContact O-N 3.02Å; L191-W194 VanDerWaalsContact O-N 3.09Å; K192-W194 VanDerWaalsContact C-N 3.31Å; K192-W194 PolarHBondContact O-N 2.69Å; W194-G196 VanDerWaalsContact C-N 3.26Å; W194-G196 PolarHBondContact O-N 3.33Å
195V86.3Confident81.6Confident107 Ų10774.7 Ų74.765%0.64840%0.399SS*.Hα-helixtrans-73.3-20.3176.7175.50000112.1L191L191-V195 WeakPolarHBondContact O-CG2 3.41Å; L191-V195 PolarHBondContact O-N 3.38Å
196G80.6Confident81.3Confident57 Ų5777 Ų7759%0.58841%0.409SS*.THydrogen-bonded Turntrans96.213.5176.300000114.5K192 W194 L198K192-G196 PolarHBondContact O-N 3.13Å; W194-G196 VanDerWaalsContact C-N 3.26Å; W194-G196 PolarHBondContact O-N 3.33Å; G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 2.95Å
197D78Confident81.1Confident118 Ų11877.1 Ų77.163%0.63141%0.409SS*.  trans-75.8-12-178.9-67.8-23.8000113.4K192K192-D197 HydrophobicContact CB-CB 4.5Å; K192-D197 PolarHBondContact O-N 2.66Å; K192-D197 VanDerWaalsContact O-N 3.08Å
198L76.8Confident80.9Confident40 Ų4076.2 Ų76.221%0.20941%0.405CS..SBendtrans-124.6141.4-178.2-69.7171.3000111.4T41 K192 F193 G196T41-L198 HydrophobicContact CG2-CD1 3.74Å; T41-L198 HydrophobicContact CG2-CD2 4.41Å; K192-L198 HydrophobicContact CB-CD1 3.88Å; K192-L198 HydrophobicContact CB-CG 4.33Å; F193-L198 HydrophobicContact CD1-CB 3.61Å; F193-L198 HydrophobicContact CD1-CD1 4.31Å; F193-L198 HydrophobicContact CD2-CD1 3.99Å; F193-L198 HydrophobicContact CE1-CB 3.47Å; F193-L198 VanDerWaalsContact CE1-CB 3.47Å; F193-L198 HydrophobicContact CE1-CD1 4.08Å; F193-L198 HydrophobicContact CE1-CG 4.42Å; F193-L198 HydrophobicContact CE2-CD1 3.7Å; F193-L198 HydrophobicContact CG-CB 4.27Å; F193-L198 HydrophobicContact CG-CD1 4.26Å; F193-L198 HydrophobicContact CZ-CB 4Å; F193-L198 HydrophobicContact CZ-CD1 3.77Å; G196-L198 VanDerWaalsContact C-N 3.25Å; G196-L198 PolarHBondContact O-N 2.95Å
199P73.6Confident81Confident113 Ų11376.9 Ų76.973%0.73441%0.406SS*.  trans-65.8138.2-178.926.4-33.2000111.6G201P199-G201 PolarHBondContact O-N 3.24Å; P199-G201 VanDerWaalsContact O-N 3.12Å
200N68.1Low81.3Confident125 Ų12576.8 Ų76.867%0.66841%0.406SS*.  trans-70.4106.7176.9-72-51.1000110.2K204N200-K204 WeakPolarHBondContact OD1-CD 3.36Å; N200-K204 PolarHBondContact OD1-NZ 3.47Å
201G74.7Confident81.6Confident26 Ų2675.7 Ų75.727%0.26840%0.402SS..SBendtrans-137.8-177.2177.400000113.3P199 A203 K204P199-G201 PolarHBondContact O-N 3.24Å; P199-G201 VanDerWaalsContact O-N 3.12Å; G201-A203 PolarHBondContact O-N 2.83Å; G201-K204 VanDerWaalsContact O-CB 3.27Å; G201-K204 WeakPolarHBondContact O-CB 3.41Å; G201-K204 PolarHBondContact O-N 2.89Å
202P75.7Confident81.8Confident94 Ų9476.6 Ų76.661%0.6140%0.402SS*.Hα-helixtrans-56.8-30.617821.9-32.1000113.2K204 F205 H206P202-K204 PolarHBondContact O-N 3.5Å; P202-F205 PolarHBondContact O-N 2.67Å; P202-F205 VanDerWaalsContact O-N 3.12Å; P202-H206 PolarHBondContact O-CD2 2.99Å; P202-H206 PolarHBondContact O-N 3.43Å
203A74.9Confident82.2Confident15 Ų1573.5 Ų73.512%0.12439%0.39CS..Hα-helixtrans-54-35.4173.200000113E36 G201 F205 H206 I207E36-A203 HydrophobicContact CB-CB 4.37Å; G201-A203 PolarHBondContact O-N 2.83Å; A203-F205 VanDerWaalsContact C-N 3.35Å; A203-F205 PolarHBondContact O-N 3.42Å; A203-H206 PolarHBondContact O-N 3.47Å; A203-I207 HydrophobicContact CB-CD1 4.42Å; A203-I207 WeakPolarHBondContact O-CB 3.31Å; A203-I207 WeakPolarHBondContact O-CD1 3.23Å; A203-I207 WeakPolarHBondContact O-CG1 3.27Å; A203-I207 PolarHBondContact O-N 2.9Å
204K79.6Confident82.7Confident73 Ų7373 Ų7332%0.31739%0.389SS..Hα-helixtrans-60.7-42.9178.3-177.1-179.7-177.4173.40112F193 N200 G201 P202 L208F193-K204 HydrophobicContact CD1-CB 4.35Å; F193-K204 HydrophobicContact CD1-CG 4.31Å; F193-K204 HydrophobicContact CE1-CB 4.28Å; F193-K204 HydrophobicContact CG-CG 4.48Å; N200-K204 WeakPolarHBondContact OD1-CD 3.36Å; N200-K204 PolarHBondContact OD1-NZ 3.47Å; G201-K204 VanDerWaalsContact O-CB 3.27Å; G201-K204 WeakPolarHBondContact O-CB 3.41Å; G201-K204 PolarHBondContact O-N 2.89Å; P202-K204 PolarHBondContact O-N 3.5Å; K204-L208 VanDerWaalsContact O-CB 3.24Å; K204-L208 WeakPolarHBondContact O-CB 3.43Å; K204-L208 PolarHBondContact O-N 2.72Å
205F84.6Confident83.3Confident156 Ų15666.9 Ų66.968%0.68437%0.372SS*.Hα-helixtrans-68.2-42179.7-68.3-76000111.4P202 A203 F209P202-F205 PolarHBondContact O-N 2.67Å; P202-F205 VanDerWaalsContact O-N 3.12Å; A203-F205 VanDerWaalsContact C-N 3.35Å; A203-F205 PolarHBondContact O-N 3.42Å; F205-F209 VanDerWaalsContact O-CB 3.31Å; F205-F209 WeakPolarHBondContact O-CB 3.24Å; F205-F209 PolarHBondContact O-N 2.95Å
206H85.2Confident83.7Confident55 Ų5566.8 Ų66.826%0.25537%0.366SS..Hα-helixtrans-62-46.1175.9-73-58.4000112W28 A32 E36 P202 A203 F209 L210W28-H206 AromaticContact NE1-ND1 3.59Å; A32-H206 HydrophobicContact CB-CB 4.26Å; E36-H206 HydrophobicContact CB-CB 4.41Å; E36-H206 HydrophobicContact CG-CB 4.07Å; E36-H206 IonicContact OE1-CD2 3.88Å; P202-H206 PolarHBondContact O-CD2 2.99Å; P202-H206 PolarHBondContact O-N 3.43Å; A203-H206 PolarHBondContact O-N 3.47Å; H206-F209 PolarHBondContact O-N 3.41Å; H206-L210 WeakPolarHBondContact O-CB 3.45Å; H206-L210 PolarHBondContact O-N 3.21Å
207I83.8Confident84.3Confident2 Ų266.8 Ų66.81%0.0135%0.349CS..Hα-helixtrans-66.3-42.7-179.1-67.7168.5000111.2L37 V186 F193 A203 L210 M211L37-I207 HydrophobicContact CD1-CD1 3.84Å; L37-I207 HydrophobicContact CD1-CG1 4.27Å; V186-I207 HydrophobicContact CG1-CG2 3.6Å; F193-I207 HydrophobicContact CD2-CD1 4.49Å; F193-I207 HydrophobicContact CE2-CD1 3.5Å; F193-I207 VanDerWaalsContact CE2-CD1 3.5Å; F193-I207 HydrophobicContact CZ-CD1 4.04Å; A203-I207 HydrophobicContact CB-CD1 4.42Å; A203-I207 WeakPolarHBondContact O-CB 3.31Å; A203-I207 WeakPolarHBondContact O-CD1 3.23Å; A203-I207 WeakPolarHBondContact O-CG1 3.27Å; A203-I207 PolarHBondContact O-N 2.9Å; I207-L210 PolarHBondContact O-N 3.31Å; I207-M211 PolarHBondContact O-N 2.97Å
208L85.8Confident85.1Confident64 Ų6463.6 Ų63.634%0.33533%0.33SS..Hα-helixtrans-63.6-48.1176.7-177.2144.2000111.5F190 K204 L210 M211 F212F190-L208 HydrophobicContact CE2-CD1 4.18Å; K204-L208 VanDerWaalsContact O-CB 3.24Å; K204-L208 WeakPolarHBondContact O-CB 3.43Å; K204-L208 PolarHBondContact O-N 2.72Å; L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 PolarHBondContact O-N 3.11Å; L208-M211 PolarHBondContact O-N 2.96Å; L208-F212 HydrophobicContact CD1-CE2 4.32Å; L208-F212 HydrophobicContact CD2-CD2 3.64Å; L208-F212 HydrophobicContact CD2-CE2 3.56Å; L208-F212 HydrophobicContact CG-CD2 3.98Å; L208-F212 HydrophobicContact CG-CE2 3.67Å; L208-F212 WeakPolarHBondContact O-CD2 3.2Å; L208-F212 PolarHBondContact O-N 3.44Å
209F89.4Confident86Confident113 Ų11364.7 Ų64.750%0.49634%0.338SS..Hα-helixtrans-64.9-38.4178.8-170.8-127.6000111.3W28 F205 H206 M211 F212 V213W28-F209 HydrophobicContact CE3-CD1 4.49Å; W28-F209 HydrophobicContact CE3-CE1 4.29Å; W28-F209 HydrophobicContact CH2-CB 4.08Å; W28-F209 AromaticContact CH2-CD1 3Å; W28-F209 HydrophobicContact CH2-CD1 3Å; W28-F209 AromaticContact CH2-CE1 3.53Å; W28-F209 HydrophobicContact CH2-CE1 3.53Å; W28-F209 AromaticContact CH2-CG 3.8Å; W28-F209 HydrophobicContact CH2-CG 3.8Å; W28-F209 HydrophobicContact CZ2-CB 4.25Å; W28-F209 AromaticContact CZ2-CD1 3.28Å; W28-F209 HydrophobicContact CZ2-CD1 3.28Å; W28-F209 AromaticContact CZ2-CE1 3.98Å; W28-F209 HydrophobicContact CZ2-CE1 3.98Å; W28-F209 HydrophobicContact CZ2-CG 4.18Å; W28-F209 AromaticContact CZ3-CD1 3.69Å; W28-F209 HydrophobicContact CZ3-CD1 3.69Å; W28-F209 AromaticContact CZ3-CE1 3.68Å; W28-F209 HydrophobicContact CZ3-CE1 3.68Å; F205-F209 VanDerWaalsContact O-CB 3.31Å; F205-F209 WeakPolarHBondContact O-CB 3.24Å; F205-F209 PolarHBondContact O-N 2.95Å; H206-F209 PolarHBondContact O-N 3.41Å; F209-M211 VanDerWaalsContact C-N 3.34Å; F209-M211 PolarHBondContact O-N 3.43Å; F209-F212 PolarHBondContact O-N 3.35Å; F209-V213 HydrophobicContact CD1-CG2 4.26Å; F209-V213 HydrophobicContact CD2-CG2 3.92Å; F209-V213 HydrophobicContact CE1-CG2 3.89Å; F209-V213 HydrophobicContact CE2-CG2 3.57Å; F209-V213 HydrophobicContact CG-CG2 4.22Å; F209-V213 HydrophobicContact CZ-CG2 3.53Å; F209-V213 WeakPolarHBondContact O-CB 3.46Å; F209-V213 VanDerWaalsContact O-CG2 3.24Å; F209-V213 WeakPolarHBondContact O-CG2 3.28Å; F209-V213 PolarHBondContact O-N 3.25Å
210L89.9Confident87Confident3 Ų362.8 Ų62.82%0.01633%0.327CS..Hα-helixtrans-59.4-43.1176.2-16873.9000111.7W28 A32 Y33 I182 V186 H206 I207 L208 A214W28-L210 HydrophobicContact CH2-CB 4.3Å; W28-L210 HydrophobicContact CH2-CD1 4.18Å; W28-L210 HydrophobicContact CZ3-CD1 4.36Å; A32-L210 HydrophobicContact CB-CD1 4.19Å; A32-L210 HydrophobicContact CB-CD2 4.42Å; Y33-L210 HydrophobicContact CD2-CD2 4.11Å; I182-L210 HydrophobicContact CG2-CD1 4.42Å; I182-L210 HydrophobicContact CG2-CD2 3.8Å; I182-L210 HydrophobicContact CG2-CG 3.68Å; V186-L210 HydrophobicContact CG2-CD2 3.84Å; H206-L210 WeakPolarHBondContact O-CB 3.45Å; H206-L210 PolarHBondContact O-N 3.21Å; I207-L210 PolarHBondContact O-N 3.31Å; L208-L210 VanDerWaalsContact C-N 3.32Å; L208-L210 PolarHBondContact O-N 3.11Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.48Å
211M89.8Confident88.2Confident21 Ų2157.9 Ų57.910%0.10330%0.301CS..Hα-helixtrans-61.9-50.2176.6-171.8-178.362.900112V186 F190 I207 L208 F209 A214 L215V186-M211 HydrophobicContact CG1-CB 3.81Å; V186-M211 HydrophobicContact CG1-CG 4.34Å; F190-M211 HydrophobicContact CB-SD 4.23Å; F190-M211 HydrophobicContact CD1-CE 4.3Å; F190-M211 HydrophobicContact CD1-SD 4.24Å; F190-M211 HydrophobicContact CD2-CE 3.76Å; F190-M211 HydrophobicContact CD2-SD 4.21Å; F190-M211 HydrophobicContact CE1-CE 4.3Å; F190-M211 HydrophobicContact CE2-CE 3.76Å; F190-M211 HydrophobicContact CG-CE 4.04Å; F190-M211 HydrophobicContact CG-SD 3.95Å; F190-M211 HydrophobicContact CZ-CE 4.04Å; I207-M211 PolarHBondContact O-N 2.97Å; L208-M211 PolarHBondContact O-N 2.96Å; F209-M211 VanDerWaalsContact C-N 3.34Å; F209-M211 PolarHBondContact O-N 3.43Å; M211-A214 PolarHBondContact O-N 3.32Å; M211-L215 WeakPolarHBondContact O-CB 3.23Å; M211-L215 PolarHBondContact O-N 3.3Å
212F91.6Very high89.2Confident114 Ų11459.8 Ų59.850%0.530%0.304SS..Hα-helixtrans-65.3-42.7-178.2-76.6-65000112.4L208 F209 L215 M216L208-F212 HydrophobicContact CD1-CE2 4.32Å; L208-F212 HydrophobicContact CD2-CD2 3.64Å; L208-F212 HydrophobicContact CD2-CE2 3.56Å; L208-F212 HydrophobicContact CG-CD2 3.98Å; L208-F212 HydrophobicContact CG-CE2 3.67Å; L208-F212 WeakPolarHBondContact O-CD2 3.2Å; L208-F212 PolarHBondContact O-N 3.44Å; F209-F212 PolarHBondContact O-N 3.35Å; F212-L215 PolarHBondContact O-N 2.94Å; F212-M216 WeakPolarHBondContact O-CB 3.4Å; F212-M216 PolarHBondContact O-N 3.48Å
213V93.2Very high90.1Very high22 Ų2262 Ų6213%0.13330%0.304CS..Hα-helixtrans-63.6-46.2176.8172.70000110.4V25 W28 F209 L215 M216 F217V25-V213 HydrophobicContact CG1-CG1 4.04Å; W28-V213 HydrophobicContact CZ3-CB 4.41Å; W28-V213 HydrophobicContact CZ3-CG1 4.42Å; W28-V213 HydrophobicContact CZ3-CG2 4.23Å; F209-V213 HydrophobicContact CD1-CG2 4.26Å; F209-V213 HydrophobicContact CD2-CG2 3.92Å; F209-V213 HydrophobicContact CE1-CG2 3.89Å; F209-V213 HydrophobicContact CE2-CG2 3.57Å; F209-V213 HydrophobicContact CG-CG2 4.22Å; F209-V213 HydrophobicContact CZ-CG2 3.53Å; F209-V213 WeakPolarHBondContact O-CB 3.46Å; F209-V213 VanDerWaalsContact O-CG2 3.24Å; F209-V213 WeakPolarHBondContact O-CG2 3.28Å; F209-V213 PolarHBondContact O-N 3.25Å; V213-L215 PolarHBondContact O-N 3.31Å; V213-M216 PolarHBondContact O-N 2.88Å; V213-F217 HydrophobicContact CG1-CD2 3.7Å; V213-F217 HydrophobicContact CG1-CE2 3.75Å; V213-F217 VanDerWaalsContact O-CD2 3.29Å; V213-F217 WeakPolarHBondContact O-CD2 3.38Å; V213-F217 PolarHBondContact O-N 2.94Å
214A93.8Very high91Very high7 Ų764.5 Ų64.56%0.05832%0.315CS..Hα-helixtrans-61.5-43.2178.100000112.1C179 I182 L210 M211 F218C179-A214 HydrophobicContact CB-CB 4.49Å; I182-A214 HydrophobicContact CB-CB 4.27Å; I182-A214 HydrophobicContact CG2-CB 3.79Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.48Å; M211-A214 PolarHBondContact O-N 3.32Å; A214-F218 VanDerWaalsContact O-CB 3.24Å; A214-F218 WeakPolarHBondContact O-CB 3.14Å; A214-F218 PolarHBondContact O-N 3.43Å
215L93.8Very high91.7Very high80 Ų8063.3 Ų63.342%0.41931%0.31SS..Hα-helixtrans-66.4-43.1178.4-175.264.4000112.1M211 F212 V213 F218 V219M211-L215 WeakPolarHBondContact O-CB 3.23Å; M211-L215 PolarHBondContact O-N 3.3Å; F212-L215 PolarHBondContact O-N 2.94Å; V213-L215 PolarHBondContact O-N 3.31Å; L215-F218 PolarHBondContact O-N 2.73Å; L215-V219 HydrophobicContact CD1-CG2 4.41Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å
216M94.5Very high92.1Very high105 Ų10560 Ų6052%0.51730%0.303SS..Hα-helixtrans-57.6-51.3176.4-178.5-165.777.900110.7F212 V213 S220F212-M216 WeakPolarHBondContact O-CB 3.4Å; F212-M216 PolarHBondContact O-N 3.48Å; V213-M216 PolarHBondContact O-N 2.88Å; M216-S220 PolarHBondContact O-N 3.28Å; M216-S220 PolarHBondContact O-OG 2.93Å
217F94.2Very high92.5Very high57 Ų5761.2 Ų61.225%0.2531%0.306CS..Hα-helixtrans-64.7-40.7177.7-83.1-68.4000112.1I22 V25 V213 V219 S220 L221I22-F217 HydrophobicContact CD1-CE1 4.14Å; I22-F217 HydrophobicContact CD1-CZ 4.17Å; V25-F217 HydrophobicContact CG1-CE2 4.18Å; V213-F217 HydrophobicContact CG1-CD2 3.7Å; V213-F217 HydrophobicContact CG1-CE2 3.75Å; V213-F217 VanDerWaalsContact O-CD2 3.29Å; V213-F217 WeakPolarHBondContact O-CD2 3.38Å; V213-F217 PolarHBondContact O-N 2.94Å; F217-V219 PolarHBondContact O-N 3.06Å; F217-S220 PolarHBondContact O-N 3.48Å; F217-L221 HydrophobicContact CB-CD1 4.32Å; F217-L221 VanDerWaalsContact O-CB 3.23Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 WeakPolarHBondContact O-CD1 3.37Å; F217-L221 WeakPolarHBondContact O-CG 3.42Å; F217-L221 PolarHBondContact O-N 2.91Å
218F95.1Very high92.9Very high51 Ų5161.2 Ų61.222%0.22431%0.306CS..Hα-helixtrans-56.6-50.5178173.9-103.4000111.9M176 C179 V180 A214 L215 S220 L221 M222M176-F218 HydrophobicContact CG-CD2 3.56Å; M176-F218 HydrophobicContact CG-CE2 3.43Å; M176-F218 VanDerWaalsContact CG-CE2 3.43Å; M176-F218 HydrophobicContact SD-CE2 4.04Å; C179-F218 HydrophobicContact CB-CB 3.87Å; V180-F218 HydrophobicContact CG2-CD2 3.49Å; V180-F218 VanDerWaalsContact CG2-CD2 3.49Å; V180-F218 HydrophobicContact CG2-CE2 3.18Å; V180-F218 HydrophobicContact CG2-CG 4.5Å; V180-F218 HydrophobicContact CG2-CZ 4Å; A214-F218 VanDerWaalsContact O-CB 3.24Å; A214-F218 WeakPolarHBondContact O-CB 3.14Å; A214-F218 PolarHBondContact O-N 3.43Å; L215-F218 PolarHBondContact O-N 2.73Å; F218-S220 PolarHBondContact O-N 3.25Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-M222 VanDerWaalsContact O-CB 3.31Å; F218-M222 WeakPolarHBondContact O-CB 3.22Å; F218-M222 PolarHBondContact O-N 3.43Å
219V94.9Very high93.2Very high62 Ų6260.8 Ų60.838%0.37631%0.307SS..Hα-helixtrans-62.3-46.4-179.3174.20000110.7L215 F217 L221 M222 F223L215-V219 HydrophobicContact CD1-CG2 4.41Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 2.99Å; F217-V219 PolarHBondContact O-N 3.06Å; V219-L221 PolarHBondContact O-N 2.86Å; V219-M222 PolarHBondContact O-N 3.47Å; V219-F223 HydrophobicContact CG1-CD2 4.27Å; V219-F223 HydrophobicContact CG1-CE2 3.79Å; V219-F223 WeakPolarHBondContact O-CD2 3.29Å; V219-F223 PolarHBondContact O-N 2.97Å
220S94Very high93.3Very high73 Ų7360.6 Ų60.651%0.5130%0.303SS..Hα-helixtrans-62.3-43.1177.7-60.70000112.7M216 F217 F218 L224M216-S220 PolarHBondContact O-N 3.28Å; M216-S220 PolarHBondContact O-OG 2.93Å; F217-S220 PolarHBondContact O-N 3.48Å; F218-S220 PolarHBondContact O-N 3.25Å; S220-L224 PolarHBondContact O-N 3.44Å
221L94.6Very high93.4Very high22 Ų2260.5 Ų60.512%0.11530%0.303CS..Hα-helixtrans-69.3-34.2179.7-71.1168.1000112.2L172 F217 F218 V219 F223 L224 F225L172-L221 HydrophobicContact CD2-CD2 3.68Å; F217-L221 HydrophobicContact CB-CD1 4.32Å; F217-L221 VanDerWaalsContact O-CB 3.23Å; F217-L221 WeakPolarHBondContact O-CB 3.24Å; F217-L221 WeakPolarHBondContact O-CD1 3.37Å; F217-L221 WeakPolarHBondContact O-CG 3.42Å; F217-L221 PolarHBondContact O-N 2.91Å; F218-L221 PolarHBondContact O-N 3.42Å; V219-L221 PolarHBondContact O-N 2.86Å; L221-F223 PolarHBondContact O-N 3.46Å; L221-L224 PolarHBondContact O-N 2.98Å; L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 3.15Å
222M95.1Very high93.4Very high67 Ų6759.8 Ų59.833%0.3330%0.3SS..Hα-helixtrans-59.4-46.1177.7-178.2-165.871.100111.4M176 F218 V219 T226M176-M222 HydrophobicContact SD-CB 4.43Å; F218-M222 VanDerWaalsContact O-CB 3.31Å; F218-M222 WeakPolarHBondContact O-CB 3.22Å; F218-M222 PolarHBondContact O-N 3.43Å; V219-M222 PolarHBondContact O-N 3.47Å; M222-T226 VanDerWaalsContact O-CB 3.3Å; M222-T226 WeakPolarHBondContact O-CB 3.34Å; M222-T226 PolarHBondContact O-N 3.48Å; M222-T226 PolarHBondContact O-OG1 2.99Å
223F94.5Very high93.3Very high140 Ų14055.6 Ų55.661%0.61429%0.286SS*.Hα-helixtrans-63.4-46.8177-73.2-68000111.7V219 L221 T226 Y227V219-F223 HydrophobicContact CG1-CD2 4.27Å; V219-F223 HydrophobicContact CG1-CE2 3.79Å; V219-F223 WeakPolarHBondContact O-CD2 3.29Å; V219-F223 PolarHBondContact O-N 2.97Å; L221-F223 PolarHBondContact O-N 3.46Å; F223-T226 PolarHBondContact O-N 3.36Å; F223-Y227 WeakPolarHBondContact O-CB 3.26Å; F223-Y227 PolarHBondContact O-N 3.4Å
224L93.6Very high93Very high68 Ų6858.8 Ų58.836%0.35630%0.298SS..Hα-helixtrans-64.3-45-179.5-175.360.3000111.7F168 L172 S220 L221 Y227 H228F168-L224 HydrophobicContact CZ-CD2 4.4Å; L172-L224 HydrophobicContact CD1-CD2 4.29Å; L172-L224 HydrophobicContact CD1-CG 4.05Å; L172-L224 HydrophobicContact CD2-CD2 3.77Å; L172-L224 HydrophobicContact CD2-CG 4.33Å; S220-L224 PolarHBondContact O-N 3.44Å; L221-L224 PolarHBondContact O-N 2.98Å; L224-Y227 PolarHBondContact O-N 2.83Å; L224-H228 PolarHBondContact O-CD2 3.08Å; L224-H228 PolarHBondContact O-N 2.68Å
225F94Very high92.7Very high48 Ų4858.8 Ų58.821%0.21130%0.297CS..Hα-helixtrans-64-45.1178.5-177.4-109.7000111.6L172 A173 M176 L221 Y227 H228 C229L172-F225 HydrophobicContact CB-CB 4.42Å; L172-F225 HydrophobicContact CB-CD2 3.81Å; A173-F225 HydrophobicContact CB-CE2 3.84Å; A173-F225 HydrophobicContact CB-CZ 4.11Å; M176-F225 HydrophobicContact CE-CD1 3.99Å; M176-F225 HydrophobicContact CE-CE1 4.19Å; M176-F225 HydrophobicContact SD-CD1 4.45Å; L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 3.15Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.21Å; F225-H228 PolarHBondContact O-N 3.22Å; F225-C229 VanDerWaalsContact CE1-SG 3.54Å; F225-C229 VanDerWaalsContact CZ-SG 3.5Å; F225-C229 WeakPolarHBondContact O-CB 3.23Å; F225-C229 PolarHBondContact O-N 3.05Å; F225-C229 PolarHBondContact O-SG 3.36Å
226T93.8Very high92.3Very high87 Ų8756.3 Ų56.353%0.53428%0.282SS..Hα-helixtrans-60.8-42.1177.4-56.80000111.3M222 F223 C229 W230M222-T226 VanDerWaalsContact O-CB 3.3Å; M222-T226 WeakPolarHBondContact O-CB 3.34Å; M222-T226 PolarHBondContact O-N 3.48Å; M222-T226 PolarHBondContact O-OG1 2.99Å; F223-T226 PolarHBondContact O-N 3.36Å; T226-C229 PolarHBondContact O-N 3.3Å; T226-W230 PolarHBondContact O-N 2.84Å
227Y92.4Very high91.7Very high80 Ų8051.5 Ų51.531%0.31426%0.259SS..Hα-helixtrans-60.1-47.6174.9177.1-110.5000112F223 L224 F225 C229 W230 L231 T238F223-Y227 WeakPolarHBondContact O-CB 3.26Å; F223-Y227 PolarHBondContact O-N 3.4Å; L224-Y227 PolarHBondContact O-N 2.83Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.21Å; Y227-C229 PolarHBondContact O-N 2.86Å; Y227-W230 HydrophobicContact CD2-CE3 4.29Å; Y227-W230 HydrophobicContact CE2-CE3 4.13Å; Y227-W230 HydrophobicContact CE2-CZ3 4.05Å; Y227-W230 WeakPolarHBondContact O-CB 3.32Å; Y227-W230 PolarHBondContact O-N 2.85Å; Y227-L231 HydrophobicContact CD1-CD1 3.91Å; Y227-L231 HydrophobicContact CD1-CG 4.46Å; Y227-L231 HydrophobicContact CE1-CD1 3.38Å; Y227-L231 HydrophobicContact CE1-CG 4.08Å; Y227-L231 HydrophobicContact CE2-CD2 4.49Å; Y227-L231 HydrophobicContact CE2-CG 4.38Å; Y227-L231 WeakPolarHBondContact O-CG 3.34Å; Y227-L231 PolarHBondContact O-N 3.39Å; Y227-T238 HydrophobicContact CE1-CG2 4.09Å
228H92.9Very high90.9Very high2 Ų250 Ų501%0.00926%0.255CS..Hα-helixtrans-67.4-34.8177.8-82.2-72000113.4D150 Y165 F168 L169 L224 F225 W230 L231 V232D150-H228 IonicContact OD2-CE1 3.2Å; D150-H228 PolarHBondContact OD2-CE1 2.92Å; Y165-H228 AromaticContact CE2-ND1 3.9Å; Y165-H228 PolarHBondContact OH-ND1 3.42Å; F168-H228 AromaticContact CE1-CD2 3.85Å; F168-H228 AromaticContact CE1-CE1 3.9Å; F168-H228 AromaticContact CE1-NE2 3.56Å; L169-H228 HydrophobicContact CD2-CB 3.61Å; L224-H228 PolarHBondContact O-CD2 3.08Å; L224-H228 PolarHBondContact O-N 2.68Å; F225-H228 PolarHBondContact O-N 3.22Å; H228-W230 VanDerWaalsContact C-N 3.3Å; H228-W230 PolarHBondContact O-N 3.36Å; H228-L231 PolarHBondContact O-N 2.78Å; H228-V232 VanDerWaalsContact O-CG2 3.23Å; H228-V232 WeakPolarHBondContact O-CG2 3.25Å; H228-V232 PolarHBondContact O-N 3.47Å
229C92.5Very high89.9Confident55 Ų5548.7 Ų48.737%0.37225%0.25SC..Hα-helixtrans-59.6-42.8171.9-75.70000111.4F225 T226 Y227 V232 A233F225-C229 VanDerWaalsContact CE1-SG 3.54Å; F225-C229 VanDerWaalsContact CZ-SG 3.5Å; F225-C229 WeakPolarHBondContact O-CB 3.23Å; F225-C229 PolarHBondContact O-N 3.05Å; F225-C229 PolarHBondContact O-SG 3.36Å; T226-C229 PolarHBondContact O-N 3.3Å; Y227-C229 PolarHBondContact O-N 2.86Å; C229-V232 PolarHBondContact O-N 3.34Å; C229-A233 WeakPolarHBondContact O-CB 3.14Å; C229-A233 PolarHBondContact O-N 3.45Å
230W91.9Very high88.6Confident109 Ų10946.4 Ų46.441%0.41324%0.236SC..Hα-helixtrans-64.6-41.9174.2175.180.7000112.5T226 Y227 H228 A233 K234 E241T226-W230 PolarHBondContact O-N 2.84Å; Y227-W230 HydrophobicContact CD2-CE3 4.29Å; Y227-W230 HydrophobicContact CE2-CE3 4.13Å; Y227-W230 HydrophobicContact CE2-CZ3 4.05Å; Y227-W230 WeakPolarHBondContact O-CB 3.32Å; Y227-W230 PolarHBondContact O-N 2.85Å; H228-W230 VanDerWaalsContact C-N 3.3Å; H228-W230 PolarHBondContact O-N 3.36Å; W230-A233 WeakPolarHBondContact O-CB 3.44Å; W230-A233 PolarHBondContact O-N 3.48Å; W230-K234 PolarHBondContact O-N 3.36Å; W230-K234 VanDerWaalsContact O-N 3.09Å; W230-E241 HydrophobicContact CH2-CG 4.03Å; W230-E241 HydrophobicContact CZ3-CG 3.85Å
231L90.6Very high87Confident0 Ų044.8 Ų44.80%022%0.22CC..Hα-helixtrans-60.7-45.6175.2-73.4179000112.3Y227 H228 A233 K234 N235 R236 T238 E241Y227-L231 HydrophobicContact CD1-CD1 3.91Å; Y227-L231 HydrophobicContact CD1-CG 4.46Å; Y227-L231 HydrophobicContact CE1-CD1 3.38Å; Y227-L231 HydrophobicContact CE1-CG 4.08Å; Y227-L231 HydrophobicContact CE2-CD2 4.49Å; Y227-L231 HydrophobicContact CE2-CG 4.38Å; Y227-L231 WeakPolarHBondContact O-CG 3.34Å; Y227-L231 PolarHBondContact O-N 3.39Å; H228-L231 PolarHBondContact O-N 2.78Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-K234 CarbonylContact O-C 3.52Å; L231-K234 PolarHBondContact O-N 3.37Å; L231-N235 WeakPolarHBondContact O-CA 3.22Å; L231-N235 PolarHBondContact O-N 3.38Å; L231-R236 HydrophobicContact CD2-CB 3.97Å; L231-R236 PolarHBondContact O-N 3.32Å; L231-T238 WeakPolarHBondContact CD1-OG1 3.45Å; L231-E241 HydrophobicContact CD2-CB 4.48Å; L231-E241 HydrophobicContact CD2-CG 3.71Å
232V90.7Very high85.4Confident7 Ų746.8 Ų46.84%0.04224%0.24CC..Hα-helixtrans-61.2-45.4175.8175.80000110.2Y165 L169 H228 C229 K234 N235 N264 L265 V268Y165-V232 HydrophobicContact CE1-CG2 3.7Å; L169-V232 HydrophobicContact CD1-CG2 3.59Å; L169-V232 HydrophobicContact CD2-CG2 4.33Å; H228-V232 VanDerWaalsContact O-CG2 3.23Å; H228-V232 WeakPolarHBondContact O-CG2 3.25Å; H228-V232 PolarHBondContact O-N 3.47Å; C229-V232 PolarHBondContact O-N 3.34Å; V232-K234 PolarHBondContact O-N 3.01Å; V232-N235 PolarHBondContact O-N 3.46Å; V232-N264 WeakPolarHBondContact O-CB 3.27Å; V232-L265 HydrophobicContact CG1-CD2 3.56Å; V232-L265 HydrophobicContact CG1-CG 4.39Å; V232-V268 HydrophobicContact CG1-CG2 4.32Å
233A89Confident84.1Confident26 Ų2651.1 Ų51.122%0.21526%0.257CS..Hα-helixtrans-58.1-34.6179.600000112.8C229 W230 L231 L261 N264C229-A233 WeakPolarHBondContact O-CB 3.14Å; C229-A233 PolarHBondContact O-N 3.45Å; W230-A233 WeakPolarHBondContact O-CB 3.44Å; W230-A233 PolarHBondContact O-N 3.48Å; L231-A233 VanDerWaalsContact C-N 3.34Å; A233-L261 HydrophobicContact CB-CD1 3.44Å; A233-L261 VanDerWaalsContact CB-CD1 3.44Å; A233-N264 PolarHBondContact O-ND2 3.02Å
234K86.4Confident83Confident89 Ų8946.9 Ų46.939%0.38724%0.244SC..Hα-helixtrans-95-0.6177.2-62-65.5-175.8-179.50114.1W230 L231 V232 R236W230-K234 PolarHBondContact O-N 3.36Å; W230-K234 VanDerWaalsContact O-N 3.09Å; L231-K234 CarbonylContact O-C 3.52Å; L231-K234 PolarHBondContact O-N 3.37Å; V232-K234 PolarHBondContact O-N 3.01Å; K234-R236 HydrophobicContact CB-CG 3.8Å; K234-R236 WeakPolarHBondContact O-CG 3.36Å; K234-R236 PolarHBondContact O-N 3.44Å
235N87.4Confident82.3Confident6 Ų644.6 Ų44.63%0.03224%0.236CC..THydrogen-bonded Turntrans51.338.8-171.1-159.2-5.4000114.2R135 K148 L231 V232 F257 N264 Q267R135-N235 VanDerWaalsContact CZ-O 3.28Å; R135-N235 PolarHBondContact NH1-O 3.39Å; R135-N235 PolarHBondContact NH1-OD1 3.2Å; R135-N235 PolarHBondContact NH2-O 3.03Å; K148-N235 PolarHBondContact NZ-OD1 3.42Å; L231-N235 WeakPolarHBondContact O-CA 3.22Å; L231-N235 PolarHBondContact O-N 3.38Å; V232-N235 PolarHBondContact O-N 3.46Å; N235-F257 PolarHBondContact ND2-O 3.24Å; N235-N264 HydrophobicContact CB-CB 4.08Å; N235-Q267 PolarHBondContact ND2-OE1 2.97Å
236R86.3Confident81.7Confident29 Ų2943.3 Ų43.311%0.10923%0.232CC..  trans-102.3153.8177.9-56.7-172.5-169.2161.91.3109.8R135 L231 K234 E241 R254 N255R135-R236 VanDerWaalsContact NH2-C 3.35Å; L231-R236 HydrophobicContact CD2-CB 3.97Å; L231-R236 PolarHBondContact O-N 3.32Å; K234-R236 HydrophobicContact CB-CG 3.8Å; K234-R236 WeakPolarHBondContact O-CG 3.36Å; K234-R236 PolarHBondContact O-N 3.44Å; R236-E241 HydrophobicContact CB-CG 4.49Å; R236-E241 WeakPolarHBondContact CD-OE1 3.27Å; R236-E241 IonicContact CZ-OE1 3.61Å; R236-E241 IonicContact NE-OE1 2.86Å; R236-E241 PolarHBondContact NE-OE1 3.23Å; R236-E241 IonicContact NH1-OE1 2.88Å; R236-E241 PolarHBondContact NH1-OE1 3.01Å; R236-E241 IonicContact NH1-OE2 3.44Å; R236-R254 PolarHBondContact NE-O 3.44Å; R236-R254 VanDerWaalsContact NE-O 3.13Å; R236-N255 PolarHBondContact NH2-OD1 3.1Å
237S81.3Confident81.4Confident3 Ų340.3 Ų40.32%0.02121%0.213CC..  trans-101.4157167.252.30000109.3D150 L239 V240 E241D150-S237 VanDerWaalsContact OD1-CA 3.28Å; D150-S237 WeakPolarHBondContact OD1-CA 3.38Å; D150-S237 WeakPolarHBondContact OD1-CB 3.46Å; S237-L239 PolarHBondContact O-N 3Å; S237-L239 VanDerWaalsContact O-N 3.16Å; S237-V240 WeakPolarHBondContact O-CB 3.38Å; S237-V240 PolarHBondContact O-N 3.02Å; S237-V240 WeakPolarHBondContact OG-CG2 3.14Å; S237-E241 PolarHBondContact O-N 3.24Å
238T78.6Confident81.1Confident27 Ų2737.5 Ų37.517%0.16620%0.203CC..Hα-helixtrans-52.9-37.6177.2-550000111.1D150 Y227 L231 V240 E241 A242D150-T238 VanDerWaalsContact CG-OG1 3.26Å; D150-T238 PolarHBondContact OD1-N 2.81Å; D150-T238 PolarHBondContact OD1-OG1 3.41Å; D150-T238 WeakPolarHBondContact OD2-CB 3.12Å; D150-T238 PolarHBondContact OD2-OG1 2.89Å; Y227-T238 HydrophobicContact CE1-CG2 4.09Å; L231-T238 WeakPolarHBondContact CD1-OG1 3.45Å; T238-V240 VanDerWaalsContact C-N 3.34Å; T238-V240 PolarHBondContact O-N 2.96Å; T238-E241 PolarHBondContact O-N 3.12Å; T238-A242 WeakPolarHBondContact O-CB 3.49Å; T238-A242 PolarHBondContact O-N 3.44Å
239L73.2Confident80.6Confident23 Ų2342.7 Ų42.712%0.1225%0.247CC..Hα-helixtrans-61.2-37175.4-63.6-177.7000114.2H137 M149 D150 S237 E241 F243H137-L239 HydrophobicContact CB-CD1 3.73Å; H137-L239 VanDerWaalsContact CD2-CD1 3.43Å; H137-L239 WeakPolarHBondContact CD2-CD1 3.32Å; H137-L239 VanDerWaalsContact CG-CD1 3.41Å; M149-L239 HydrophobicContact CB-CD1 4.01Å; M149-L239 HydrophobicContact CG-CD1 3.93Å; M149-L239 WeakPolarHBondContact O-CD1 3.18Å; M149-L239 HydrophobicContact SD-CD1 4.14Å; D150-L239 WeakPolarHBondContact O-CG 3.38Å; S237-L239 PolarHBondContact O-N 3Å; S237-L239 VanDerWaalsContact O-N 3.16Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-F243 HydrophobicContact CB-CD2 4.37Å; L239-F243 HydrophobicContact CD2-CD2 3.76Å; L239-F243 HydrophobicContact CD2-CE2 3.55Å; L239-F243 WeakPolarHBondContact O-CB 3.31Å; L239-F243 PolarHBondContact O-N 3.29Å
240V67.3Low80.2Confident13 Ų1345.6 Ų45.68%0.07927%0.267CS..Hα-helixtrans-67.7-35.5179.8168.60000110.8S237 T238 S244S237-V240 WeakPolarHBondContact O-CB 3.38Å; S237-V240 PolarHBondContact O-N 3.02Å; S237-V240 WeakPolarHBondContact OG-CG2 3.14Å; T238-V240 VanDerWaalsContact C-N 3.34Å; T238-V240 PolarHBondContact O-N 2.96Å; V240-S244 CarbonylContact O-C 3.28Å; V240-S244 VanDerWaalsContact O-C 3.28Å
241E60.8Low79.9Confident40 Ų4041.3 Ų41.319%0.18726%0.257CS..Hα-helixtrans-82.3-38.8177.1-71.6-6014300113.2W230 L231 R236 S237 T238 L239 R254W230-E241 HydrophobicContact CH2-CG 4.03Å; W230-E241 HydrophobicContact CZ3-CG 3.85Å; L231-E241 HydrophobicContact CD2-CB 4.48Å; L231-E241 HydrophobicContact CD2-CG 3.71Å; R236-E241 HydrophobicContact CB-CG 4.49Å; R236-E241 WeakPolarHBondContact CD-OE1 3.27Å; R236-E241 IonicContact CZ-OE1 3.61Å; R236-E241 IonicContact NE-OE1 2.86Å; R236-E241 PolarHBondContact NE-OE1 3.23Å; R236-E241 IonicContact NH1-OE1 2.88Å; R236-E241 PolarHBondContact NH1-OE1 3.01Å; R236-E241 IonicContact NH1-OE2 3.44Å; S237-E241 PolarHBondContact O-N 3.24Å; T238-E241 PolarHBondContact O-N 3.12Å; L239-E241 VanDerWaalsContact C-N 3.3Å; E241-R254 IonicContact OE1-NH1 3.42Å; E241-R254 IonicContact OE2-NH1 3.37Å; E241-R254 PolarHBondContact OE2-NH1 3.45Å
242A60.6Low79.7Confident63 Ų6346.1 Ų46.152%0.52129%0.289SS..Hα-helixtrans-76.4-31.4-176.300000113.2T238T238-A242 WeakPolarHBondContact O-CB 3.49Å; T238-A242 PolarHBondContact O-N 3.44Å
243F67.4Low79.4Confident159 Ų15948.1 Ų48.170%0.69730%0.299SS*.THydrogen-bonded Turntrans-116.4-62.3-173.7-62.2-75.7000113L239L239-F243 HydrophobicContact CB-CD2 4.37Å; L239-F243 HydrophobicContact CD2-CD2 3.76Å; L239-F243 HydrophobicContact CD2-CE2 3.55Å; L239-F243 WeakPolarHBondContact O-CB 3.31Å; L239-F243 PolarHBondContact O-N 3.29Å
244S71.5Confident79.2Confident50 Ų5053 Ų5335%0.3531%0.312SS..  trans-166.5147.5-175.4-690000113.5Q118 V240Q118-S244 PolarHBondContact NE2-OG 3.48Å; V240-S244 CarbonylContact O-C 3.28Å; V240-S244 VanDerWaalsContact O-C 3.28Å
245A79.4Confident79.1Confident21 Ų2151 Ų5117%0.17431%0.306CS..  trans-59.6139.6167.700000110.7V247 P252 R254A245-V247 PolarHBondContact O-N 3.34Å; A245-P252 HydrophobicContact CB-CB 4.28Å; A245-R254 HydrophobicContact CB-CG 3.58Å
246P81.4Confident79Confident21 Ų2151 Ų5114%0.13631%0.307CS..  trans-62136170.725.5-31.2000109.8T115 F248 D253 F257T115-P246 HydrophobicContact CG2-CB 3.91Å; P246-F248 HydrophobicContact CB-CE2 4.04Å; P246-F248 HydrophobicContact CB-CZ 4.19Å; P246-F248 HydrophobicContact CG-CE2 3.72Å; P246-F248 HydrophobicContact CG-CZ 3.99Å; P246-D253 WeakPolarHBondContact CG-O 3.3Å; P246-D253 PolarHBondContact O-N 3.13Å; P246-D253 VanDerWaalsContact O-N 3.07Å; P246-F257 HydrophobicContact CB-CE2 4.14Å; P246-F257 HydrophobicContact CG-CD2 4.29Å; P246-F257 HydrophobicContact CG-CE2 3.9Å
247V86.8Confident79Confident23 Ų2350.1 Ų50.114%0.13930%0.304CS..EExtended strand (participates in β ladder)trans-93.8115.1177.6-175.50000108.3T115 R116 A245 P252T115-V247 CarbonylContact C-O 3.54Å; T115-V247 VanDerWaalsContact CA-O 3.31Å; T115-V247 WeakPolarHBondContact CA-O 3.45Å; R116-V247 PolarHBondContact N-O 2.92Å; A245-V247 PolarHBondContact O-N 3.34Å; V247-P252 HydrophobicContact CG2-CB 4.31Å; V247-P252 HydrophobicContact CG2-CG 4.14Å
248F87.3Confident79.4Confident21 Ų2151.1 Ų51.19%0.09231%0.311CS..EExtended strand (participates in β ladder)trans-94.3178.1172.9-60.9-85.5000110T115 P246 S250 G251 D253 F257 L292T115-F248 HydrophobicContact CG2-CD1 4.2Å; T115-F248 HydrophobicContact CG2-CE1 3.81Å; T115-F248 HydrophobicContact CG2-CZ 4.25Å; P246-F248 HydrophobicContact CB-CE2 4.04Å; P246-F248 HydrophobicContact CB-CZ 4.19Å; P246-F248 HydrophobicContact CG-CE2 3.72Å; P246-F248 HydrophobicContact CG-CZ 3.99Å; F248-S250 PolarHBondContact O-N 3.1Å; F248-G251 PolarHBondContact N-O 3.01Å; F248-G251 PolarHBondContact O-N 3.02Å; F248-D253 HydrophobicContact CD2-CB 3.84Å; F248-D253 HydrophobicContact CE2-CB 4.01Å; F248-D253 WeakPolarHBondContact CE2-O 3.14Å; F248-F257 HydrophobicContact CE1-CE1 4.13Å; F248-F257 HydrophobicContact CE1-CE2 4.15Å; F248-F257 AromaticContact CE1-CZ 3.77Å; F248-F257 HydrophobicContact CE1-CZ 3.77Å; F248-F257 HydrophobicContact CZ-CD2 4.02Å; F248-F257 HydrophobicContact CZ-CE1 4.23Å; F248-F257 AromaticContact CZ-CE2 3.59Å; F248-F257 HydrophobicContact CZ-CE2 3.59Å; F248-F257 AromaticContact CZ-CZ 3.71Å; F248-F257 HydrophobicContact CZ-CZ 3.71Å; F248-L292 HydrophobicContact CD1-CD2 4.05Å; F248-L292 HydrophobicContact CE1-CD2 3.43Å; F248-L292 VanDerWaalsContact CE1-CD2 3.43Å; F248-L292 HydrophobicContact CZ-CD2 4.31Å
249A82.8Confident79.8Confident112 Ų11251.4 Ų51.493%0.92631%0.311SS*.THydrogen-bonded Turntrans-57.3-34.4174.500000112.8G251A249-G251 PolarHBondContact O-N 3.11Å
250S82.4Confident80.5Confident115 Ų11552 Ų5280%0.80432%0.323SS*.THydrogen-bonded Turntrans-80.9317660.20000114.2F248F248-S250 PolarHBondContact O-N 3.1Å
251G85.9Confident81.5Confident20 Ų2056.6 Ų56.621%0.20635%0.347CS..EExtended strand (participates in β ladder)trans104.7-171.4-176.300000114.4F248 A249 D253F248-G251 PolarHBondContact N-O 3.01Å; F248-G251 PolarHBondContact O-N 3.02Å; A249-G251 PolarHBondContact O-N 3.11Å; G251-D253 PolarHBondContact O-N 2.74Å
252P86.6Confident82.8Confident101 Ų10159.8 Ų59.866%0.65636%0.361SS*.EExtended strand (participates in β ladder)trans-68.4120.4-178.8-16.430.2000112.2A245 V247A245-P252 HydrophobicContact CB-CB 4.28Å; V247-P252 HydrophobicContact CG2-CB 4.31Å; V247-P252 HydrophobicContact CG2-CG 4.14Å
253D85.2Confident84.2Confident48 Ų4861.4 Ų61.426%0.25736%0.356SS..  trans-131.8116.7175.6-175.46.2000111.5P246 F248 G251 N255 G256P246-D253 WeakPolarHBondContact CG-O 3.3Å; P246-D253 PolarHBondContact O-N 3.13Å; P246-D253 VanDerWaalsContact O-N 3.07Å; F248-D253 HydrophobicContact CD2-CB 3.84Å; F248-D253 HydrophobicContact CE2-CB 4.01Å; F248-D253 WeakPolarHBondContact CE2-O 3.14Å; G251-D253 PolarHBondContact O-N 2.74Å; D253-N255 PolarHBondContact O-N 2.85Å; D253-N255 WeakPolarHBondContact OD1-CA 3.17Å; D253-N255 PolarHBondContact OD1-N 3.01Å; D253-G256 WeakPolarHBondContact OD2-CA 3.24Å; D253-G256 PolarHBondContact OD2-N 2.89Å
254R83.9Confident85.3Confident128 Ų12853.9 Ų53.948%0.48332%0.323SS..THydrogen-bonded Turntrans-69.5-20.6175.4-67.9-171.9-177.1-145.65.4113.1R236 E241 A245R236-R254 PolarHBondContact NE-O 3.44Å; R236-R254 VanDerWaalsContact NE-O 3.13Å; E241-R254 IonicContact OE1-NH1 3.42Å; E241-R254 IonicContact OE2-NH1 3.37Å; E241-R254 PolarHBondContact OE2-NH1 3.45Å; A245-R254 HydrophobicContact CB-CG 3.58Å
255N85.1Confident86.2Confident49 Ų4953.9 Ų53.926%0.26232%0.319SS..THydrogen-bonded Turntrans-106.58.3-176.2-65.9-43.9000113.3R236 D253 F257 S258R236-N255 PolarHBondContact NH2-OD1 3.1Å; D253-N255 PolarHBondContact O-N 2.85Å; D253-N255 WeakPolarHBondContact OD1-CA 3.17Å; D253-N255 PolarHBondContact OD1-N 3.01Å; N255-F257 PolarHBondContact O-N 3.28Å; N255-S258 WeakPolarHBondContact O-CB 3.17Å; N255-S258 PolarHBondContact O-N 3.41Å
256G85.1Confident86.8Confident6 Ų654.1 Ų54.16%0.06232%0.318CS..THydrogen-bonded Turntrans-62-18.7-173.900000114.7D253 R293D253-G256 WeakPolarHBondContact OD2-CA 3.24Å; D253-G256 PolarHBondContact OD2-N 2.89Å; G256-R293 PolarHBondContact O-N 3.23Å
257F87.4Confident87.3Confident10 Ų1053.8 Ų53.84%0.04431%0.314CS..THydrogen-bonded Turntrans-1064.3174-60-68000114.2T115 D134 R135 N235 P246 F248 N255 F290 L292T115-F257 HydrophobicContact CG2-CE2 4.24Å; T115-F257 HydrophobicContact CG2-CZ 3.77Å; D134-F257 HydrophobicContact CB-CE1 4.49Å; D134-F257 HydrophobicContact CB-CZ 4.14Å; R135-F257 HydrophobicContact CG-CD2 4.19Å; R135-F257 HydrophobicContact CG-CE2 3.71Å; R135-F257 HydrophobicContact CG-CZ 3.9Å; N235-F257 PolarHBondContact ND2-O 3.24Å; P246-F257 HydrophobicContact CB-CE2 4.14Å; P246-F257 HydrophobicContact CG-CD2 4.29Å; P246-F257 HydrophobicContact CG-CE2 3.9Å; F248-F257 HydrophobicContact CE1-CE1 4.13Å; F248-F257 HydrophobicContact CE1-CE2 4.15Å; F248-F257 AromaticContact CE1-CZ 3.77Å; F248-F257 HydrophobicContact CE1-CZ 3.77Å; F248-F257 HydrophobicContact CZ-CD2 4.02Å; F248-F257 HydrophobicContact CZ-CE1 4.23Å; F248-F257 AromaticContact CZ-CE2 3.59Å; F248-F257 HydrophobicContact CZ-CE2 3.59Å; F248-F257 AromaticContact CZ-CZ 3.71Å; F248-F257 HydrophobicContact CZ-CZ 3.71Å; N255-F257 PolarHBondContact O-N 3.28Å; F257-F290 HydrophobicContact CD1-CB 3.82Å; F257-F290 HydrophobicContact CE1-CB 4Å; F257-L292 HydrophobicContact CD1-CD2 4.13Å; F257-L292 HydrophobicContact CE1-CD2 3.77Å
258S88.4Confident87.5Confident24 Ų2452.9 Ų52.917%0.16831%0.309CS..  trans-84.6121-179.5176.80000110.6N255 N264N255-S258 WeakPolarHBondContact O-CB 3.17Å; N255-S258 PolarHBondContact O-N 3.41Å; S258-N264 PolarHBondContact OG-ND2 3.48Å
259L86.9Confident87.7Confident33 Ų3353.4 Ų53.417%0.17331%0.311CS..  trans-108.58.8-179.2-54.6179.6000113.2K263 N264 P291L259-K263 HydrophobicContact CB-CB 3.78Å; L259-K263 HydrophobicContact CB-CD 4.15Å; L259-N264 PolarHBondContact N-OD1 3.19Å; L259-P291 HydrophobicContact CD1-CB 3.77Å; L259-P291 HydrophobicContact CD1-CG 4.06Å; L259-P291 HydrophobicContact CD2-CB 4.37Å
260G87.3Confident88.1Confident36 Ų3648.2 Ų48.237%0.37127%0.268SS..  trans99154.1-170.800000112.6H262 K263 N264G260-H262 PolarHBondContact O-N 2.9Å; G260-K263 PolarHBondContact O-N 2.73Å; G260-N264 VanDerWaalsContact O-CB 3.32Å; G260-N264 WeakPolarHBondContact O-CB 3.36Å; G260-N264 PolarHBondContact O-N 2.73Å; G260-N264 PolarHBondContact O-ND2 2.99Å; G260-N264 PolarHBondContact O-OD1 3.32Å
261L88.4Confident88.5Confident109 Ų10949.8 Ų49.857%0.57126%0.263SS*.Hα-helixtrans-53.2-48.3-168.7-178.966.9000113.1A233 N264 L265A233-L261 HydrophobicContact CB-CD1 3.44Å; A233-L261 VanDerWaalsContact CB-CD1 3.44Å; L261-N264 PolarHBondContact O-N 2.78Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.3Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.32Å
262H88.5Confident88.8Confident106 Ų10654 Ų5449%0.49128%0.281SS..Hα-helixtrans-65.3-50.5-177.9-176.7-104.8000112.1G260 N264 L265 L266G260-H262 PolarHBondContact O-N 2.9Å; H262-N264 VanDerWaalsContact C-N 3.28Å; H262-N264 PolarHBondContact O-N 3.4Å; H262-L265 PolarHBondContact O-N 2.91Å; H262-L266 VanDerWaalsContact CE1-CD1 3.46Å; H262-L266 WeakPolarHBondContact CE1-CD1 3.31Å; H262-L266 WeakPolarHBondContact O-CG 3.18Å; H262-L266 PolarHBondContact O-N 3.41Å
263K89.9Confident88.8Confident97 Ų9757.7 Ų57.742%0.42228%0.282SS..Hα-helixtrans-63-36178.5-68.2-175.8-179.41760111.6L259 G260 L266 Q267L259-K263 HydrophobicContact CB-CB 3.78Å; L259-K263 HydrophobicContact CB-CD 4.15Å; G260-K263 PolarHBondContact O-N 2.73Å; K263-L266 PolarHBondContact O-N 3.12Å; K263-Q267 WeakPolarHBondContact O-CG 3.37Å; K263-Q267 PolarHBondContact O-N 2.92Å
264N91.3Very high89.1Confident1 Ų164.5 Ų64.51%0.00531%0.309CS..Hα-helixtrans-64.1-41175.9-67.6-14.1000112.1V232 A233 N235 S258 L259 G260 L261 H262 Q267V232-N264 WeakPolarHBondContact O-CB 3.27Å; A233-N264 PolarHBondContact O-ND2 3.02Å; N235-N264 HydrophobicContact CB-CB 4.08Å; S258-N264 PolarHBondContact OG-ND2 3.48Å; L259-N264 PolarHBondContact N-OD1 3.19Å; G260-N264 VanDerWaalsContact O-CB 3.32Å; G260-N264 WeakPolarHBondContact O-CB 3.36Å; G260-N264 PolarHBondContact O-N 2.73Å; G260-N264 PolarHBondContact O-ND2 2.99Å; G260-N264 PolarHBondContact O-OD1 3.32Å; L261-N264 PolarHBondContact O-N 2.78Å; H262-N264 VanDerWaalsContact C-N 3.28Å; H262-N264 PolarHBondContact O-N 3.4Å; N264-Q267 PolarHBondContact O-N 3.47Å
265L90.4Very high89.5Confident50 Ų5061.1 Ų61.126%0.26230%0.3SS..Hα-helixtrans-66.2-44.3174.4-73.8166000111.5V232 L261 H262 Q267 V268 F269V232-L265 HydrophobicContact CG1-CD2 3.56Å; V232-L265 HydrophobicContact CG1-CG 4.39Å; L261-L265 HydrophobicContact CD1-CD1 4.44Å; L261-L265 HydrophobicContact CG-CD1 4.3Å; L261-L265 WeakPolarHBondContact O-CG 3.31Å; L261-L265 PolarHBondContact O-N 3.32Å; H262-L265 PolarHBondContact O-N 2.91Å; L265-Q267 VanDerWaalsContact C-N 3.25Å; L265-Q267 PolarHBondContact O-N 2.95Å; L265-V268 PolarHBondContact O-N 3.06Å; L265-F269 HydrophobicContact CD2-CD2 4.17Å; L265-F269 HydrophobicContact CD2-CE2 4.02Å; L265-F269 PolarHBondContact O-N 3.42Å
266L92.3Very high89.8Confident27 Ų2761 Ų6114%0.14130%0.296CS..Hα-helixtrans-58.8-35.4177.1-70.5178.5000112.6H262 K263 V268 G270 W276H262-L266 VanDerWaalsContact CE1-CD1 3.46Å; H262-L266 WeakPolarHBondContact CE1-CD1 3.31Å; H262-L266 WeakPolarHBondContact O-CG 3.18Å; H262-L266 PolarHBondContact O-N 3.41Å; K263-L266 PolarHBondContact O-N 3.12Å; L266-V268 PolarHBondContact O-N 3.2Å; L266-G270 WeakPolarHBondContact CD2-O 3.16Å; L266-G270 VanDerWaalsContact O-CA 3.24Å; L266-G270 WeakPolarHBondContact O-CA 3.41Å; L266-G270 PolarHBondContact O-N 2.87Å; L266-W276 HydrophobicContact CD2-CZ2 4.07Å
267Q91.1Very high90.1Very high14 Ų1467.1 Ų67.17%0.06532%0.321CS..Hα-helixtrans-60.2-27.5175.4-76.2-167.96.500113.7N235 K263 N264 L265 S283 Q284N235-Q267 PolarHBondContact ND2-OE1 2.97Å; K263-Q267 WeakPolarHBondContact O-CG 3.37Å; K263-Q267 PolarHBondContact O-N 2.92Å; N264-Q267 PolarHBondContact O-N 3.47Å; L265-Q267 VanDerWaalsContact C-N 3.25Å; L265-Q267 PolarHBondContact O-N 2.95Å; Q267-S283 WeakPolarHBondContact O-CA 3.41Å; Q267-Q284 PolarHBondContact O-N 3.06Å
268V91.4Very high90.4Very high4 Ų469.4 Ų69.42%0.02433%0.333CS..Hα-helixtrans-99.2-43.8-178.1-1790000111.8Y165 K166 L169 V232 L265 L266 S283Y165-V268 HydrophobicContact CD1-CG1 3.87Å; Y165-V268 HydrophobicContact CD1-CG2 4.15Å; Y165-V268 HydrophobicContact CE1-CG1 4.38Å; Y165-V268 HydrophobicContact CE1-CG2 4.26Å; K166-V268 HydrophobicContact CB-CG1 4.3Å; L169-V268 HydrophobicContact CD1-CG1 3.86Å; V232-V268 HydrophobicContact CG1-CG2 4.32Å; L265-V268 PolarHBondContact O-N 3.06Å; L266-V268 PolarHBondContact O-N 3.2Å; V268-S283 PolarHBondContact O-OG 3.46Å
269F91.6Very high90.6Very high32 Ų3268.4 Ų68.414%0.1433%0.326CS..Hα-helixtrans-96.5-15.9-173.5-68.2-80.8000114K166 L169 L170 L265 W276 T282K166-F269 HydrophobicContact CG-CD1 4.3Å; K166-F269 HydrophobicContact CG-CE1 4.45Å; L169-F269 HydrophobicContact CD1-CE2 4.34Å; L169-F269 HydrophobicContact CD1-CZ 4.01Å; L170-F269 HydrophobicContact CD2-CE1 4.39Å; L265-F269 HydrophobicContact CD2-CD2 4.17Å; L265-F269 HydrophobicContact CD2-CE2 4.02Å; L265-F269 PolarHBondContact O-N 3.42Å; F269-W276 HydrophobicContact CB-CD2 3.85Å; F269-W276 HydrophobicContact CB-CG 3.82Å; F269-W276 HydrophobicContact CB-CZ2 4.42Å; F269-W276 HydrophobicContact CD1-CB 4.28Å; F269-W276 HydrophobicContact CD1-CG 4.41Å; F269-W276 HydrophobicContact CG-CD2 4.38Å; F269-W276 HydrophobicContact CG-CG 4.4Å; F269-T282 WeakPolarHBondContact O-CB 3.25Å; F269-T282 PolarHBondContact O-OG1 3.44Å
270G91.3Very high90.9Very high3 Ų369.3 Ų69.33%0.03133%0.333CS..  trans80.1177.8-17600000113.3L266 W276 T282L266-G270 WeakPolarHBondContact CD2-O 3.16Å; L266-G270 VanDerWaalsContact O-CA 3.24Å; L266-G270 WeakPolarHBondContact O-CA 3.41Å; L266-G270 PolarHBondContact O-N 2.87Å; G270-W276 PolarHBondContact O-NE1 3.41Å; G270-T282 WeakPolarHBondContact CA-O 3.25Å; G270-T282 PolarHBondContact N-O 3.16Å
271E90.6Very high91.2Very high147 Ų14772.6 Ų72.669%0.68734%0.337SS*.SBendtrans-78.3-33.9-177.4-53.4-168.616500112.3R273 Q284E271-R273 PolarHBondContact O-N 3.19Å; E271-Q284 PolarHBondContact OE1-NE2 3.34Å
272D91.3Very high91.4Very high108 Ų10868.7 Ų68.758%0.57832%0.318SS*.  trans-73.594.7-179-71.4-37.8000112.4K274 L275D272-K274 PolarHBondContact O-N 3.42Å; D272-K274 VanDerWaalsContact O-N 3.09Å; D272-L275 HydrophobicContact CB-CB 4.37Å; D272-L275 HydrophobicContact CB-CD1 4.1Å; D272-L275 HydrophobicContact CB-CG 4.15Å; D272-L275 PolarHBondContact O-N 3.31Å
273R88.1Confident91.6Very high180 Ų18064.2 Ų64.268%0.67930%0.299SS*.G310 helixtrans-54.2-30.6178.3-64.2-176.9-177.8-177.60.5114E271 L275 W276E271-R273 PolarHBondContact O-N 3.19Å; R273-L275 PolarHBondContact O-N 2.94Å; R273-W276 HydrophobicContact CG-CZ2 4.21Å; R273-W276 WeakPolarHBondContact O-CB 3.38Å; R273-W276 PolarHBondContact O-N 2.92Å
274K90.4Very high91.7Very high190 Ų19062.9 Ų62.983%0.82629%0.294SS*.G310 helixtrans-63.7-31.6178.2-64.4-178.6-177.6176.80112.4D272D272-K274 PolarHBondContact O-N 3.42Å; D272-K274 VanDerWaalsContact O-N 3.09Å
275L91.9Very high91.5Very high57 Ų5765.7 Ų65.730%0.29832%0.323SS..G310 helixtrans-92.1-1.9-177.2-59.1-178.2000112.6K166 D272 R273 F277 I278 V280 T282K166-L275 PolarHBondContact NZ-O 3.45Å; D272-L275 HydrophobicContact CB-CB 4.37Å; D272-L275 HydrophobicContact CB-CD1 4.1Å; D272-L275 HydrophobicContact CB-CG 4.15Å; D272-L275 PolarHBondContact O-N 3.31Å; R273-L275 PolarHBondContact O-N 2.94Å; L275-F277 VanDerWaalsContact C-N 3.29Å; L275-F277 PolarHBondContact O-N 2.93Å; L275-I278 HydrophobicContact CD2-CD1 4.09Å; L275-I278 PolarHBondContact O-N 3.45Å; L275-I278 VanDerWaalsContact O-O 3.11Å; L275-V280 HydrophobicContact CB-CG2 3.96Å; L275-V280 HydrophobicContact CD1-CG2 4.29Å; L275-V280 HydrophobicContact CD2-CG2 4.09Å; L275-V280 HydrophobicContact CG-CG2 4.34Å; L275-T282 HydrophobicContact CB-CG2 3.92Å; L275-T282 HydrophobicContact CD1-CG2 3.87Å
276W91.2Very high91.4Very high48 Ų4867.5 Ų67.518%0.18233%0.333CS..THydrogen-bonded Turntrans-59.6-42.4-177-77.917.7000112.1K166 L170 L266 F269 G270 R273K166-W276 WeakPolarHBondContact CE-O 3.33Å; L170-W276 WeakPolarHBondContact CD2-O 3.47Å; L266-W276 HydrophobicContact CD2-CZ2 4.07Å; F269-W276 HydrophobicContact CB-CD2 3.85Å; F269-W276 HydrophobicContact CB-CG 3.82Å; F269-W276 HydrophobicContact CB-CZ2 4.42Å; F269-W276 HydrophobicContact CD1-CB 4.28Å; F269-W276 HydrophobicContact CD1-CG 4.41Å; F269-W276 HydrophobicContact CG-CD2 4.38Å; F269-W276 HydrophobicContact CG-CG 4.4Å; G270-W276 PolarHBondContact O-NE1 3.41Å; R273-W276 HydrophobicContact CG-CZ2 4.21Å; R273-W276 WeakPolarHBondContact O-CB 3.38Å; R273-W276 PolarHBondContact O-N 2.92Å
277F92.5Very high91.2Very high133 Ų13366.2 Ų66.258%0.58333%0.326SS*.THydrogen-bonded Turntrans-88.9-6.7-177.9-58.9-68.5000113.5M61 Y174 L275M61-F277 WeakPolarHBondContact CE-O 3.37Å; Y174-F277 WeakPolarHBondContact CE2-O 3.41Å; Y174-F277 WeakPolarHBondContact OH-CB 3.41Å; Y174-F277 PolarHBondContact OH-O 2.93Å; L275-F277 VanDerWaalsContact C-N 3.29Å; L275-F277 PolarHBondContact O-N 2.93Å
278I93.5Very high91Very high59 Ų5966.7 Ų66.730%0.30333%0.328SS..SBendtrans-95.6135-179.6-56.5178.8000108.5W64 K166 L275 V280W64-I278 HydrophobicContact CH2-CG2 3.96Å; W64-I278 HydrophobicContact CZ3-CG2 4.35Å; K166-I278 PolarHBondContact NZ-O 3.08Å; K166-I278 VanDerWaalsContact NZ-O 3.15Å; L275-I278 HydrophobicContact CD2-CD1 4.09Å; L275-I278 PolarHBondContact O-N 3.45Å; L275-I278 VanDerWaalsContact O-O 3.11Å; I278-V280 HydrophobicContact CB-CG2 4.15Å; I278-V280 HydrophobicContact CG2-CG1 3.93Å; I278-V280 HydrophobicContact CG2-CG2 4.04Å; I278-V280 PolarHBondContact O-N 3.37Å
279P93Very high90.9Very high2 Ų270 Ų701%0.01334%0.341CS..SBendtrans-76.454.1179.635-39.3000112.6W64 T65 K68 F167 L170W64-P279 HydrophobicContact CB-CG 4.35Å; W64-P279 HydrophobicContact CD2-CG 3.35Å; W64-P279 VanDerWaalsContact CE2-CG 3.48Å; W64-P279 HydrophobicContact CE3-CG 3.83Å; W64-P279 HydrophobicContact CG-CG 3.58Å; W64-P279 HydrophobicContact CH2-CG 4.46Å; W64-P279 HydrophobicContact CZ2-CG 4.05Å; W64-P279 HydrophobicContact CZ3-CG 4.36Å; T65-P279 HydrophobicContact CG2-CB 3.75Å; T65-P279 HydrophobicContact CG2-CG 3.95Å; K68-P279 HydrophobicContact CB-CB 4.46Å; K68-P279 HydrophobicContact CG-CB 4.22Å; F167-P279 HydrophobicContact CD1-CB 4Å; F167-P279 HydrophobicContact CE1-CB 4.4Å; F167-P279 VanDerWaalsContact CE1-O 3.23Å; F167-P279 WeakPolarHBondContact CE1-O 3.36Å; L170-P279 HydrophobicContact CD1-CB 4.45Å
280V93.1Very high90.8Very high52 Ų5268.8 Ų68.832%0.31534%0.335SS..SBendtrans-105.3145.9168.2-70.10000110.1K166 L275 I278 T282K166-V280 PolarHBondContact NZ-O 3.38Å; L275-V280 HydrophobicContact CB-CG2 3.96Å; L275-V280 HydrophobicContact CD1-CG2 4.29Å; L275-V280 HydrophobicContact CD2-CG2 4.09Å; L275-V280 HydrophobicContact CG-CG2 4.34Å; I278-V280 HydrophobicContact CB-CG2 4.15Å; I278-V280 HydrophobicContact CG2-CG1 3.93Å; I278-V280 HydrophobicContact CG2-CG2 4.04Å; I278-V280 PolarHBondContact O-N 3.37Å; V280-T282 HydrophobicContact CG2-CG2 4.04Å; V280-T282 PolarHBondContact O-N 3.44Å
281F92.9Very high90.7Very high105 Ų10571.1 Ų71.146%0.46135%0.35SS..  trans-72.5117-179.5-177.9-95000109.6F162 S163 F167F162-F281 HydrophobicContact CD1-CZ 4.46Å; F162-F281 HydrophobicContact CE1-CE2 4.4Å; F162-F281 AromaticContact CE1-CZ 3.78Å; F162-F281 HydrophobicContact CE1-CZ 3.78Å; F162-F281 HydrophobicContact CZ-CZ 4.15Å; S163-F281 WeakPolarHBondContact O-CD2 3.3Å; F167-F281 HydrophobicContact CZ-CB 4.04Å
282T93.4Very high90.5Very high27 Ų2764.5 Ų64.517%0.16632%0.32CS..  trans-136.911.2178.858.10000112.1K166 F269 G270 L275 V280K166-T282 PolarHBondContact NZ-OG1 3.36Å; F269-T282 WeakPolarHBondContact O-CB 3.25Å; F269-T282 PolarHBondContact O-OG1 3.44Å; G270-T282 WeakPolarHBondContact CA-O 3.25Å; G270-T282 PolarHBondContact N-O 3.16Å; L275-T282 HydrophobicContact CB-CG2 3.92Å; L275-T282 HydrophobicContact CD1-CG2 3.87Å; V280-T282 HydrophobicContact CG2-CG2 4.04Å; V280-T282 PolarHBondContact O-N 3.44Å
283S92.3Very high90.1Very high13 Ų1365.4 Ų65.49%0.09132%0.315CS..  trans-62.8138.8177-52.20000109.9Q267 V268Q267-S283 WeakPolarHBondContact O-CA 3.41Å; V268-S283 PolarHBondContact O-OG 3.46Å
284Q91.3Very high89.3Confident69 Ų6960.3 Ų60.332%0.32231%0.307SS..  trans-84.7152.6179.2-61.4-177-12.900111.8F162 Q267 E271F162-Q284 WeakPolarHBondContact CE2-O 3.42Å; Q267-Q284 PolarHBondContact O-N 3.06Å; E271-Q284 PolarHBondContact OE1-NE2 3.34Å
285G88.4Confident88.2Confident59 Ų5955.1 Ų55.161%0.60829%0.285SS*.SBendtrans92.7177.7176.800000113.8F162F162-G285 WeakPolarHBondContact CZ-O 3.17Å
286N88Confident86.5Confident89 Ų8953.9 Ų53.948%0.47628%0.281SS..  trans-98.1-6.6-179.859.49.6000113.1H288 Y289N286-H288 PolarHBondContact O-CE1 2.83Å; N286-H288 PolarHBondContact O-N 3.33Å; N286-H288 PolarHBondContact O-ND1 3.35Å; N286-H288 VanDerWaalsContact O-ND1 3.15Å; N286-H288 PolarHBondContact OD1-N 3.37Å; N286-Y289 PolarHBondContact OD1-N 2.8Å
287G87.1Confident84.7Confident0 Ų055.3 Ų55.30%030%0.299CS..SBendtrans80.5-4.7-175.500000114.6F290G287-F290 WeakPolarHBondContact O-CE2 3.24Å; G287-F290 VanDerWaalsContact O-CZ 3.29Å; G287-F290 WeakPolarHBondContact O-CZ 3.38Å
288H88.3Confident82.5Confident24 Ų2454.8 Ų54.811%0.11130%0.298CS..SBendtrans-100.7-43.4177.2-53.791.7000112C78 F81 P133 N286C78-H288 PolarHBondContact N-NE2 2.07Å; C78-H288 VanDerWaalsContact N-NE2 3.16Å; F81-H288 AromaticContact CD2-CD2 3.79Å; F81-H288 HydrophobicContact CE2-CB 3.77Å; F81-H288 AromaticContact CE2-CD2 3.48Å; F81-H288 VanDerWaalsContact CE2-CD2 3.48Å; F81-H288 WeakPolarHBondContact CE2-CD2 3.49Å; F81-H288 AromaticContact CE2-CG 3.74Å; F81-H288 HydrophobicContact CZ-CB 3.84Å; P133-H288 HydrophobicContact CB-CB 4.44Å; N286-H288 PolarHBondContact O-CE1 2.83Å; N286-H288 PolarHBondContact O-N 3.33Å; N286-H288 PolarHBondContact O-ND1 3.35Å; N286-H288 VanDerWaalsContact O-ND1 3.15Å; N286-H288 PolarHBondContact OD1-N 3.37Å
289Y89.8Confident80.2Confident74 Ų7456.6 Ų56.629%0.2932%0.316SS..  trans-108.1137.1174.5172.5-104.5000109.8P112 F114 N286 Q295P112-Y289 HydrophobicContact CB-CD2 4.25Å; F114-Y289 HydrophobicContact CD2-CD2 4.4Å; F114-Y289 HydrophobicContact CD2-CE2 4.35Å; F114-Y289 AromaticContact CE2-CD2 3.7Å; F114-Y289 HydrophobicContact CE2-CD2 3.7Å; F114-Y289 AromaticContact CE2-CE2 3.58Å; F114-Y289 HydrophobicContact CE2-CE2 3.58Å; F114-Y289 HydrophobicContact CZ-CE2 4.2Å; N286-Y289 PolarHBondContact OD1-N 2.8Å; Y289-Q295 PolarHBondContact OH-OE1 3.38Å
290F89.3Confident77.8Confident5 Ų562.8 Ų62.82%0.02235%0.345CS..  trans-126.3133174.5-60.7-82.8000108D134 R135 K148 F162 F257 G287 L292D134-F290 HydrophobicContact CB-CD2 4.41Å; D134-F290 VanDerWaalsContact O-CE2 3.31Å; D134-F290 WeakPolarHBondContact O-CE2 3.42Å; R135-F290 HydrophobicContact CB-CD2 4.49Å; R135-F290 HydrophobicContact CB-CE2 4.17Å; R135-F290 HydrophobicContact CG-CD2 4.14Å; R135-F290 HydrophobicContact CG-CE2 4.31Å; K148-F290 HydrophobicContact CB-CE1 4.3Å; K148-F290 HydrophobicContact CB-CZ 3.83Å; K148-F290 HydrophobicContact CD-CE1 3.8Å; K148-F290 HydrophobicContact CD-CZ 4.21Å; K148-F290 HydrophobicContact CG-CE1 4.23Å; K148-F290 HydrophobicContact CG-CZ 4.15Å; F162-F290 HydrophobicContact CD2-CE1 4.18Å; F162-F290 HydrophobicContact CD2-CZ 4.42Å; F162-F290 HydrophobicContact CE2-CE1 4.31Å; F257-F290 HydrophobicContact CD1-CB 3.82Å; F257-F290 HydrophobicContact CE1-CB 4Å; G287-F290 WeakPolarHBondContact O-CE2 3.24Å; G287-F290 VanDerWaalsContact O-CZ 3.29Å; G287-F290 WeakPolarHBondContact O-CZ 3.38Å; F290-L292 PolarHBondContact O-N 3.06Å
291P88.1Confident75.4Confident53 Ų5364.1 Ų64.134%0.34435%0.35SS..  trans-61.8138.3179.7-11.220.1000111L259L259-P291 HydrophobicContact CD1-CB 3.77Å; L259-P291 HydrophobicContact CD1-CG 4.06Å; L259-P291 HydrophobicContact CD2-CB 4.37Å
292L86.8Confident73.1Confident8 Ų864 Ų644%0.04236%0.359CS..  trans-97.3147.9-174-64.8156.4000110.6F114 F248 F257 F290 S294 S296F114-L292 HydrophobicContact CB-CD1 4.05Å; F114-L292 HydrophobicContact CB-CD2 4.28Å; F114-L292 HydrophobicContact CD1-CD1 3.79Å; F114-L292 HydrophobicContact CD2-CD1 3.78Å; F114-L292 HydrophobicContact CE1-CD1 4.16Å; F114-L292 HydrophobicContact CE2-CD1 4.17Å; F114-L292 HydrophobicContact CG-CD1 3.58Å; F114-L292 HydrophobicContact CZ-CD1 4.33Å; F248-L292 HydrophobicContact CD1-CD2 4.05Å; F248-L292 HydrophobicContact CE1-CD2 3.43Å; F248-L292 VanDerWaalsContact CE1-CD2 3.43Å; F248-L292 HydrophobicContact CZ-CD2 4.31Å; F257-L292 HydrophobicContact CD1-CD2 4.13Å; F257-L292 HydrophobicContact CE1-CD2 3.77Å; F290-L292 PolarHBondContact O-N 3.06Å; L292-S294 PolarHBondContact O-N 3.12Å; L292-S296 PolarHBondContact O-N 3.19Å; L292-S296 PolarHBondContact O-OG 3.44Å
293R82.5Confident70.9Confident126 Ų12669.6 Ų69.648%0.47539%0.388SS..Hα-helixtrans-60.8-43.1176.8-177.3-178.8173.9-164.4-1.9112.1G256 Q295 S296 S297G256-R293 PolarHBondContact O-N 3.23Å; R293-Q295 PolarHBondContact O-N 2.89Å; R293-S296 WeakPolarHBondContact CA-OG 3.15Å; R293-S296 PolarHBondContact O-N 3.24Å; R293-S296 PolarHBondContact O-OG 3.05Å; R293-S297 PolarHBondContact O-N 3.41Å
294S71.9Confident68.6Low73 Ų7372.7 Ų72.751%0.5140%0.403SS..Hα-helixtrans-57.1-49.9-178.9490000112L292 S296 S297 E298L292-S294 PolarHBondContact O-N 3.12Å; S294-S296 VanDerWaalsContact C-N 3.34Å; S294-S296 PolarHBondContact O-N 3.5Å; S294-S297 PolarHBondContact O-N 2.94Å; S294-S297 VanDerWaalsContact O-N 3.15Å; S294-E298 PolarHBondContact O-N 3.47Å
295Q66.4Low66.1Low81 Ų8173 Ų7338%0.37942%0.418SS..Hα-helixtrans-64.2-36.5178.4-69177.6-4.600112.6Y289 R293 S297 S299Y289-Q295 PolarHBondContact OH-OE1 3.38Å; R293-Q295 PolarHBondContact O-N 2.89Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 2.59Å; Q295-S299 PolarHBondContact O-N 3.08Å
296S57.4Low63.7Low31 Ų3176.7 Ų76.722%0.21742%0.423CS..Hα-helixtrans-72-22.5176.870.60000114.1L292 R293 S294 S299 H300L292-S296 PolarHBondContact O-N 3.19Å; L292-S296 PolarHBondContact O-OG 3.44Å; R293-S296 WeakPolarHBondContact CA-OG 3.15Å; R293-S296 PolarHBondContact O-N 3.24Å; R293-S296 PolarHBondContact O-OG 3.05Å; S294-S296 VanDerWaalsContact C-N 3.34Å; S294-S296 PolarHBondContact O-N 3.5Å; S296-S299 PolarHBondContact O-OG 3.19Å; S296-S299 VanDerWaalsContact O-OG 3.06Å; S296-H300 PolarHBondContact O-CD2 3.01Å
297S52.8Low61.5Low78 Ų7879 Ų7955%0.54543%0.431SS..Hα-helixtrans-82.1-35.4178.1-164.80000111.5R293 S294 Q295 H300R293-S297 PolarHBondContact O-N 3.41Å; S294-S297 PolarHBondContact O-N 2.94Å; S294-S297 VanDerWaalsContact O-N 3.15Å; Q295-S297 VanDerWaalsContact C-N 3.3Å; Q295-S297 PolarHBondContact O-N 2.59Å; S297-H300 PolarHBondContact O-N 3.49Å
298E47.1Very low59Low122 Ų12286.8 Ų86.857%0.5747%0.473SS*.Hα-helixtrans-67.6-40.9175.8-75.9170.1171.200111.7S294 H300 N301S294-E298 PolarHBondContact O-N 3.47Å; E298-H300 PolarHBondContact O-N 3.44Å; E298-H300 VanDerWaalsContact O-N 3.09Å; E298-N301 WeakPolarHBondContact O-CB 3.35Å; E298-N301 PolarHBondContact O-N 3.28Å
299S45.3Very low56.3Low97 Ų9792.7 Ų92.768%0.67850%0.502SS*.THydrogen-bonded Turntrans-64.7-13.8174.963.80000114.6Q295 S296Q295-S299 PolarHBondContact O-N 3.08Å; S296-S299 PolarHBondContact O-OG 3.19Å; S296-S299 VanDerWaalsContact O-OG 3.06Å
300H42.3Very low53.8Low133 Ų13399.9 Ų99.962%0.61653%0.529SS*.THydrogen-bonded Turntrans-98.72.9176.8-93.5-67.6000112.9S296 S297 E298 P302S296-H300 PolarHBondContact O-CD2 3.01Å; S297-H300 PolarHBondContact O-N 3.49Å; E298-H300 PolarHBondContact O-N 3.44Å; E298-H300 VanDerWaalsContact O-N 3.09Å; H300-P302 WeakPolarHBondContact O-CD 3.38Å
301N41.5Very low51.2Low79 Ų79107.4 Ų107.442%0.42257%0.57SS.*  trans-93.3100.1176-132.4-1.6000108.7E298 L303 L304E298-N301 WeakPolarHBondContact O-CB 3.35Å; E298-N301 PolarHBondContact O-N 3.28Å; N301-L303 PolarHBondContact O-N 3.09Å; N301-L304 HydrophobicContact CB-CD1 4.3Å; N301-L304 PolarHBondContact O-N 2.85Å
302P45.8Very low48.6Very low102 Ų102114.2 Ų114.266%0.66260%0.597SS**THydrogen-bonded Turntrans-62.7-10-176.624.2-33.3000113.8H300H300-P302 WeakPolarHBondContact O-CD 3.38Å
303L46Very low45.8Very low146 Ų146119.6 Ų119.676%0.76464%0.635SS**THydrogen-bonded Turntrans-81.3-21.3175.9-67.4172000114N301N301-L303 PolarHBondContact O-N 3.09Å
304L44.1Very low43.4Very low78 Ų78121.3 Ų121.341%0.40865%0.654SS.*THydrogen-bonded Turntrans-100.2-11.7-179.3-68171.5000113.2N301 N306 E307N301-L304 HydrophobicContact CB-CD1 4.3Å; N301-L304 PolarHBondContact O-N 2.85Å; L304-N306 PolarHBondContact O-N 3.49Å; L304-E307 WeakPolarHBondContact CD2-OE2 3.49Å
305A39.7Very low41.5Very low76 Ų76125.8 Ų125.863%0.62867%0.672SS**THydrogen-bonded Turntrans-73.4-7.1178.500000113.8
306N38.3Very low39.8Very low135 Ų135124.9 Ų124.972%0.72269%0.685SS**THydrogen-bonded Turntrans-107.3-0.4-177.3-84.90.6000114L304L304-N306 PolarHBondContact O-N 3.49Å
307E40.8Very low38.5Very low139 Ų139128.8 Ų128.865%0.6571%0.712SS**SBendtrans-84.8-12-178.7-78.8-176.314900113.8L304 M309L304-E307 WeakPolarHBondContact CD2-OE2 3.49Å; E307-M309 PolarHBondContact O-N 2.94Å
308D35.8Very low37.5Very low162 Ų162134.7 Ų134.787%0.86673%0.731SS**SBendtrans-84.322-179.2-68.4-30000114.2
309M30.3Very low36.6Very low149 Ų149132.6 Ų132.673%0.73474%0.742SS**SBendtrans-126.537.9-176.5-148.8-173.764.700113.5E307E307-M309 PolarHBondContact O-N 2.94Å
310W36.5Very low35.7Very low224 Ų224134.2 Ų134.285%0.84875%0.753SS**  trans-148.885.5167.3-66.494000110.6
311D35.1Very low35.1Very low164 Ų164135.8 Ų135.888%0.87777%0.765SS**  trans-174.691143.8-109.5-12.9000109.4
312E33.4Very low34.5Very low195 Ų195137.6 Ų137.691%0.91178%0.779SS**  trans-162.983154.3-110.8-175.3167.600108.7
313S28.9Very low33.7Very low121 Ų121140.6 Ų140.685%0.84678%0.784SS**  trans176.588.1141.4530000110.1
314D32Very low32.9Very low163 Ų163140.5 Ų140.587%0.87278%0.784SS**  trans-132.6105.7150.7-161.430.6000106.5
315D32.8Very low32.2Very low166 Ų166141.1 Ų141.189%0.88880%0.801SS**  trans-127.4109.5164.2-148.510000106.2
316G30.8Very low31.8Very low63 Ų63145 Ų14565%0.64981%0.811SS**  trans-89.4145.9-175.200000112.1
317S28.8Very low32.7Very low113 Ų113143.6 Ų143.679%0.7981%0.809SS**  trans-154.7112.3152.558.90000111.1
318E31.9Very low32.1Very low201 Ų201142.4 Ų142.494%0.93982%0.816SS**  trans30.9131143.5-64.1-177.5146.600121.2
319G28.3Very low32Very low78 Ų78140.9 Ų140.980%0.80481%0.812SS**  trans-90.8172.6-178.900000116.4
320S26.7Very low32.1Very low131 Ų131139.5 Ų139.592%0.91681%0.813SS**  trans-173.3158.3143.449.30000110.1
321L29.2Very low31.9Very low166 Ų166136.1 Ų136.187%0.86981%0.81SS**  trans-79167.7-164.6-67143.5000114.6
322V29.1Very low31.8Very low118 Ų118137.9 Ų137.972%0.71581%0.812SS**  trans119112140-173.80000117.1
323E29.6Very low32Very low164 Ų164136.8 Ų136.877%0.76681%0.81SS**  trans39.2141.4136.3-62.5173.9144.100125
324D28.6Very low32.5Very low144 Ų144138.4 Ų138.477%0.7781%0.809SS**  trans93.8113139.3-71.2-17.8000123.4
325A29.4Very low32.8Very low92 Ų92142 Ų14276%0.7683%0.828SS**  61104.5126.300000122.3
326D31.4Very low32.8Very low158 Ų158140.9 Ų140.985%0.84583%0.825SS**  50.3172.8123.8-128.815.8000121.2
327P56.4Low32.9Very low105 Ų105144.9 Ų144.968%0.68283%0.834SS**  -120.7161.1-111.137.4-18.6000114.9
328S29.6Very low33.2Very low113 Ų113146.7 Ų146.779%0.7984%0.837SS**  trans-161.3114161.151.30000109.9
329V32.1Very low33.2Very low130 Ų130143.5 Ų143.579%0.78883%0.831SS**  739977.7178.30000113.5
330T34.2Very low33.6Very low120 Ų120147.6 Ų147.674%0.73683%0.833SS**  trans35.4142.114160.90000121.9
331I32.3Very low34Very low154 Ų154148.7 Ų148.779%0.7983%0.827SS**  -157.5115.1118.2-83.2135.6000107.9M333I331-M333 HydrophobicContact CG2-CG 4.03Å
332E31.9Very low34.3Very low200 Ų200147.5 Ų147.594%0.93582%0.824SS**  trans-92.3138.9152-78-174.1154.500107.1
333M37.2Very low34.8Very low173 Ų173149.8 Ų149.885%0.85283%0.832SS**  trans-105.2124.5172-81.6175.452.500108.6I331I331-M333 HydrophobicContact CG2-CG 4.03Å
334D40.2Very low35.2Very low154 Ų154148.6 Ų148.682%0.82484%0.838SS**  trans-66.7142.4167.7-73.7-40.9000111.5
335D38.9Very low35.8Very low240 Ų240149 Ų149100%1.28384%0.844SS**  -153.90121-94.5-23.5000110.2

Retrieved 335 of 335 residues in 256.1 ms (Link to these results)

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