A0A077Z1W1_TRITR Loading...

Histone deacetylase clr3

AlphaFold DB , UniProt , Accession A0A077Z1W1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 345 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
1M58.4Low88.9Confident152 Ų15253.5 Ų53.575%0.74927%0.265SS*.  041.20-57.1170.9-146.700115T3 Q6 V343 F345M1-T3 PolarHBondContact O-N 3.36Å; M1-Q6 PolarHBondContact O-OE1 3.35Å; M1-V343 HydrophobicContact CE-CG1 4.01Å; M1-V343 HydrophobicContact CG-CG1 4.37Å; M1-F345 HydrophobicContact CE-CD1 3.32Å; M1-F345 HydrophobicContact CE-CD2 4.06Å; M1-F345 HydrophobicContact CE-CE1 2.93Å; M1-F345 HydrophobicContact CE-CE2 3.71Å; M1-F345 HydrophobicContact CE-CG 3.89Å; M1-F345 HydrophobicContact CE-CZ 3.15Å; M1-F345 HydrophobicContact CG-CZ 4.2Å; M1-F345 HydrophobicContact SD-CD1 4.19Å; M1-F345 HydrophobicContact SD-CE1 3.25Å; M1-F345 WeakPolarHBondContact SD-CE1 3.38Å; M1-F345 HydrophobicContact SD-CE2 4.38Å; M1-F345 HydrophobicContact SD-CZ 3.36Å; M1-F345 WeakPolarHBondContact SD-CZ 3.24Å
2Y76.5Confident89.4Confident126 Ų12652.8 Ų52.849%0.49426%0.262SS..  trans-77.1125.3178-74.4-78.3000109.5Q6Y2-Q6 VanDerWaalsContact CA-OE1 3.31Å; Y2-Q6 HydrophobicContact CD1-CB 3.96Å
3T89.3Confident89.8Confident81 Ų8157.2 Ų57.250%0.49728%0.281SS..  trans-73.1157.2168.369.70000109.7M1 G5 Q6 I7M1-T3 PolarHBondContact O-N 3.36Å; T3-G5 PolarHBondContact O-N 3.19Å; T3-Q6 WeakPolarHBondContact O-CA 3.22Å; T3-Q6 WeakPolarHBondContact O-CB 3.3Å; T3-Q6 PolarHBondContact O-N 3.36Å; T3-Q6 VanDerWaalsContact OG1-CG 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.36Å; T3-Q6 PolarHBondContact OG1-N 3.03Å; T3-I7 PolarHBondContact O-N 3.21Å
4T91.4Very high90.1Very high22 Ų2268.5 Ų68.514%0.13532%0.319CS..Hα-helixtrans-54.9-39.1177-43.50000111.8I7 V8 I21 T33 L37 L177 I179T4-I7 PolarHBondContact O-N 2.92Å; T4-V8 WeakPolarHBondContact O-CG2 3.5Å; T4-V8 PolarHBondContact O-N 3.06Å; T4-I21 HydrophobicContact CG2-CD1 4.08Å; T4-T33 HydrophobicContact CG2-CG2 3.68Å; T4-T33 WeakPolarHBondContact OG1-CG2 3.2Å; T4-L37 HydrophobicContact CG2-CD1 3.85Å; T4-L37 HydrophobicContact CG2-CD2 3.85Å; T4-L37 HydrophobicContact CG2-CG 4.09Å; T4-L177 HydrophobicContact CG2-CD2 3.74Å; T4-I179 HydrophobicContact CG2-CD1 4.08Å
5G91.8Very high90.4Very high14 Ų1472.9 Ų72.914%0.14434%0.34CS..Hα-helixtrans-63.3-39.6174.300000113.5T3 V8 F9 H45T3-G5 PolarHBondContact O-N 3.19Å; G5-V8 PolarHBondContact O-N 3.35Å; G5-F9 WeakPolarHBondContact O-CB 3.37Å; G5-F9 PolarHBondContact O-N 3.28Å; G5-H45 PolarHBondContact O-NE2 3.05Å
6Q93.5Very high90.5Very high89 Ų8969.8 Ų69.842%0.41633%0.326SS..Hα-helixtrans-66-38.2175-71.1169.6-26.800112.3M1 Y2 T3 F9 S10M1-Q6 PolarHBondContact O-OE1 3.35Å; Y2-Q6 VanDerWaalsContact CA-OE1 3.31Å; Y2-Q6 HydrophobicContact CD1-CB 3.96Å; T3-Q6 WeakPolarHBondContact O-CA 3.22Å; T3-Q6 WeakPolarHBondContact O-CB 3.3Å; T3-Q6 PolarHBondContact O-N 3.36Å; T3-Q6 VanDerWaalsContact OG1-CG 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.36Å; T3-Q6 PolarHBondContact OG1-N 3.03Å; Q6-F9 PolarHBondContact O-N 3.26Å; Q6-S10 WeakPolarHBondContact O-CB 3.44Å; Q6-S10 PolarHBondContact O-N 2.79Å; Q6-S10 PolarHBondContact O-OG 2.81Å
7I94.8Very high90.7Very high7 Ų768.8 Ų68.84%0.03632%0.323CS..Hα-helixtrans-63.8-47.8175.3-61.3-178.5000110.2T3 T4 F9 S10 M11 M16 I21 L177T3-I7 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 2.92Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.04Å; I7-S10 PolarHBondContact O-N 3.04Å; I7-M11 HydrophobicContact CG2-CE 3.69Å; I7-M11 HydrophobicContact CG2-CG 4.48Å; I7-M11 HydrophobicContact CG2-SD 4.18Å; I7-M11 WeakPolarHBondContact O-CG 3.41Å; I7-M11 PolarHBondContact O-N 3.24Å; I7-M16 HydrophobicContact CG2-CE 4.11Å; I7-I21 HydrophobicContact CD1-CD1 3.82Å; I7-I21 HydrophobicContact CD1-CG1 3.75Å; I7-L177 HydrophobicContact CG2-CD1 3.91Å
8V95.4Very high91Very high0 Ų065.2 Ų65.20%031%0.306CS..Hα-helixtrans-58.3-45.5175.8170.50000110.7T4 G5 S10 M11 M12 L37 T41 H45 V47 L141 L177T4-V8 WeakPolarHBondContact O-CG2 3.5Å; T4-V8 PolarHBondContact O-N 3.06Å; G5-V8 PolarHBondContact O-N 3.35Å; V8-S10 PolarHBondContact O-N 2.85Å; V8-M11 WeakPolarHBondContact O-CB 3.46Å; V8-M11 PolarHBondContact O-N 3.37Å; V8-M12 HydrophobicContact CG1-CG 4.38Å; V8-M12 WeakPolarHBondContact O-CG 3.4Å; V8-M12 PolarHBondContact O-N 3.26Å; V8-L37 HydrophobicContact CG2-CD2 3.74Å; V8-T41 HydrophobicContact CB-CG2 4.2Å; V8-T41 HydrophobicContact CG1-CG2 4.16Å; V8-H45 HydrophobicContact CG1-CB 4.37Å; V8-V47 HydrophobicContact CG1-CG2 4.12Å; V8-L141 HydrophobicContact CG1-CD2 3.79Å; V8-L141 HydrophobicContact CG2-CD2 4.16Å; V8-L177 HydrophobicContact CG2-CD2 3.97Å
9F94.9Very high91.1Very high88 Ų8861.8 Ų61.839%0.38629%0.291SS..Hα-helixtrans-57.6-49.5175.5179-104.6000112G5 Q6 I7 M11 M12 Q13 H45G5-F9 WeakPolarHBondContact O-CB 3.37Å; G5-F9 PolarHBondContact O-N 3.28Å; Q6-F9 PolarHBondContact O-N 3.26Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.04Å; F9-M11 VanDerWaalsContact C-N 3.29Å; F9-M11 PolarHBondContact O-N 3.05Å; F9-M12 PolarHBondContact O-N 2.88Å; F9-M12 VanDerWaalsContact O-N 3.17Å; F9-Q13 HydrophobicContact CD1-CG 4.26Å; F9-Q13 HydrophobicContact CD2-CG 4.23Å; F9-Q13 HydrophobicContact CE1-CG 3.86Å; F9-Q13 HydrophobicContact CE2-CG 3.85Å; F9-Q13 HydrophobicContact CG-CG 4.44Å; F9-Q13 HydrophobicContact CZ-CG 3.65Å; F9-Q13 WeakPolarHBondContact O-CG 3.03Å; F9-Q13 PolarHBondContact O-N 3.49Å; F9-H45 AromaticContact CD2-CE1 3.76Å; F9-H45 AromaticContact CD2-ND1 3.52Å
10S95.8Very high91.4Very high9 Ų958.9 Ų58.96%0.06328%0.277CS..Hα-helixtrans-61.3-35177.3-72.80000112.9Q6 I7 V8 R14 Q15 M16Q6-S10 WeakPolarHBondContact O-CB 3.44Å; Q6-S10 PolarHBondContact O-N 2.79Å; Q6-S10 PolarHBondContact O-OG 2.81Å; I7-S10 PolarHBondContact O-N 3.04Å; V8-S10 PolarHBondContact O-N 2.85Å; S10-R14 PolarHBondContact O-N 3.37Å; S10-Q15 WeakPolarHBondContact O-CB 3.31Å; S10-Q15 PolarHBondContact O-N 3.35Å; S10-Q15 PolarHBondContact OG-OE1 2.82Å; S10-M16 PolarHBondContact O-N 2.81Å
11M95.8Very high91.5Very high0 Ų056.8 Ų56.80%027%0.268CS..Hα-helixtrans-65-45.4172.8-71.3173.7172.200112.2I7 V8 F9 Q13 R14 M16 L141 L176 L177I7-M11 HydrophobicContact CG2-CE 3.69Å; I7-M11 HydrophobicContact CG2-CG 4.48Å; I7-M11 HydrophobicContact CG2-SD 4.18Å; I7-M11 WeakPolarHBondContact O-CG 3.41Å; I7-M11 PolarHBondContact O-N 3.24Å; V8-M11 WeakPolarHBondContact O-CB 3.46Å; V8-M11 PolarHBondContact O-N 3.37Å; F9-M11 VanDerWaalsContact C-N 3.29Å; F9-M11 PolarHBondContact O-N 3.05Å; M11-Q13 VanDerWaalsContact C-N 3.31Å; M11-Q13 PolarHBondContact O-N 3.23Å; M11-R14 PolarHBondContact O-N 3.18Å; M11-M16 WeakPolarHBondContact CA-O 3.41Å; M11-M16 HydrophobicContact CG-CB 4.34Å; M11-L141 HydrophobicContact SD-CD1 3.92Å; M11-L176 WeakPolarHBondContact CE-O 3.29Å; M11-L177 HydrophobicContact CE-CB 3.94Å; M11-L177 HydrophobicContact CE-CD1 4.28Å; M11-L177 HydrophobicContact SD-CB 4.11Å
12M94.9Very high93.1Very high46 Ų4650.1 Ų50.123%0.22724%0.237CC..Hα-helixtrans-67.7-32.1179-64.7-50.9-68.400112.3V8 F9 R14 V47V8-M12 HydrophobicContact CG1-CG 4.38Å; V8-M12 WeakPolarHBondContact O-CG 3.4Å; V8-M12 PolarHBondContact O-N 3.26Å; F9-M12 PolarHBondContact O-N 2.88Å; F9-M12 VanDerWaalsContact O-N 3.17Å; M12-R14 PolarHBondContact O-N 2.89Å; M12-V47 HydrophobicContact CE-CG2 4.13Å; M12-V47 HydrophobicContact CG-CG2 3.88Å; M12-V47 HydrophobicContact SD-CG2 3.88Å
13Q95.1Very high93.6Very high109 Ų10944.4 Ų44.451%0.50922%0.217SC..THydrogen-bonded Turntrans-79.64172.3-62.8-56.9-35.300113.7F9 M11 Q15F9-Q13 HydrophobicContact CD1-CG 4.26Å; F9-Q13 HydrophobicContact CD2-CG 4.23Å; F9-Q13 HydrophobicContact CE1-CG 3.86Å; F9-Q13 HydrophobicContact CE2-CG 3.85Å; F9-Q13 HydrophobicContact CG-CG 4.44Å; F9-Q13 HydrophobicContact CZ-CG 3.65Å; F9-Q13 WeakPolarHBondContact O-CG 3.03Å; F9-Q13 PolarHBondContact O-N 3.49Å; M11-Q13 VanDerWaalsContact C-N 3.31Å; M11-Q13 PolarHBondContact O-N 3.23Å; Q13-Q15 HydrophobicContact CB-CG 4.04Å; Q13-Q15 PolarHBondContact O-N 2.82Å; Q13-Q15 VanDerWaalsContact O-N 3.12Å
14R93.6Very high93.6Very high216 Ų21645.6 Ų45.682%0.81522%0.22SC*.THydrogen-bonded Turntrans56.723.5-177.2-53.1-178.7178-178.2-1.6114.1S10 M11 M12 M16S10-R14 PolarHBondContact O-N 3.37Å; M11-R14 PolarHBondContact O-N 3.18Å; M12-R14 PolarHBondContact O-N 2.89Å; R14-M16 VanDerWaalsContact C-N 3.32Å
15Q94.6Very high93.4Very high135 Ų13545.3 Ų45.363%0.63122%0.217SC*.SBendtrans-79.5-23.8172.3-63.8177.9-16.500111.4S10 Q13S10-Q15 WeakPolarHBondContact O-CB 3.31Å; S10-Q15 PolarHBondContact O-N 3.35Å; S10-Q15 PolarHBondContact OG-OE1 2.82Å; Q13-Q15 HydrophobicContact CB-CG 4.04Å; Q13-Q15 PolarHBondContact O-N 2.82Å; Q13-Q15 VanDerWaalsContact O-N 3.12Å
16M92.9Very high93.3Very high22 Ų2248 Ų4811%0.10823%0.232CC..  trans-136149.1173.7-69.2176.950.200108.9I7 S10 M11 R14 S18 P341I7-M16 HydrophobicContact CG2-CE 4.11Å; S10-M16 PolarHBondContact O-N 2.81Å; M11-M16 WeakPolarHBondContact CA-O 3.41Å; M11-M16 HydrophobicContact CG-CB 4.34Å; R14-M16 VanDerWaalsContact C-N 3.32Å; M16-S18 WeakPolarHBondContact CE-O 3.04Å; M16-P341 HydrophobicContact CE-CG 3.16Å; M16-P341 HydrophobicContact SD-CG 3.7Å
17L93.3Very high92.9Very high54 Ų5445.5 Ų45.528%0.28322%0.219SC..SBendtrans-92.4-55.8172.8-170.168000109.9M169 S173 R175 M338L17-M169 HydrophobicContact CD2-CE 3.96Å; L17-M169 HydrophobicContact CG-CE 4.41Å; L17-S173 WeakPolarHBondContact CD1-O 3.08Å; L17-R175 VanDerWaalsContact O-CA 3.28Å; L17-R175 WeakPolarHBondContact O-CA 3.11Å; L17-M338 HydrophobicContact CB-CE 3.36Å; L17-M338 HydrophobicContact CB-SD 3.16Å; L17-M338 WeakPolarHBondContact CB-SD 3.23Å; L17-M338 HydrophobicContact CD2-CE 4.13Å; L17-M338 HydrophobicContact CD2-SD 3.47Å; L17-M338 WeakPolarHBondContact CD2-SD 3.34Å; L17-M338 HydrophobicContact CG-CE 4.24Å; L17-M338 HydrophobicContact CG-SD 3.94Å
18S95.6Very high92.6Very high3 Ų347.2 Ų47.22%0.02124%0.239CC..  trans-131.9167.5-176.357.60000110.8M16 L176M16-S18 WeakPolarHBondContact CE-O 3.04Å; S18-L176 CarbonylContact C-O 3.54Å; S18-L176 WeakPolarHBondContact CA-O 3.37Å; S18-L176 VanDerWaalsContact CB-O 3.3Å; S18-L176 WeakPolarHBondContact CB-O 3.46Å
19G94.4Very high92.4Very high1 Ų153 Ų531%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-161.4153.5-178.800000111.9L176 L177 I178G19-L176 PolarHBondContact N-O 3.5Å; G19-L177 WeakPolarHBondContact O-CA 3.4Å; G19-I178 PolarHBondContact O-N 2.62Å
20V95.2Very high92.3Very high3 Ų348.8 Ų48.82%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-128.9129.1177.3-174.20000109A22 I178 L193 V196 L197 L200V20-A22 HydrophobicContact CG1-CB 4.02Å; V20-I178 CarbonylContact C-O 3.58Å; V20-I178 WeakPolarHBondContact CA-O 3.26Å; V20-I178 HydrophobicContact CG1-CB 4.41Å; V20-I178 HydrophobicContact CG1-CG2 4.44Å; V20-I178 HydrophobicContact CG2-CB 4.28Å; V20-L193 HydrophobicContact CG1-CD1 4.39Å; V20-V196 HydrophobicContact CG2-CG1 4Å; V20-L197 HydrophobicContact CB-CD2 4.38Å; V20-L197 HydrophobicContact CG2-CD2 3.82Å; V20-L200 HydrophobicContact CG2-CD1 3.27Å
21I93.9Very high92Very high15 Ų1549 Ų498%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-109.5109.5163.9-60.2167.2000105.9T4 I7 L25 L177 I178 I179 A180 F345T4-I21 HydrophobicContact CG2-CD1 4.08Å; I7-I21 HydrophobicContact CD1-CD1 3.82Å; I7-I21 HydrophobicContact CD1-CG1 3.75Å; I21-L25 HydrophobicContact CG2-CD1 4Å; I21-L177 HydrophobicContact CD1-CD1 4.42Å; I21-I178 PolarHBondContact N-O 3.46Å; I21-I179 HydrophobicContact CD1-CG1 4.5Å; I21-I179 CarbonylContact O-C 3.56Å; I21-I179 WeakPolarHBondContact O-CA 3.31Å; I21-A180 PolarHBondContact O-N 2.8Å; I21-F345 HydrophobicContact CG2-CE2 4.21Å
22A91.5Very high91.9Very high12 Ų1253 Ų5310%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-134141.9177.100000110V20 F148 A180 L193 F345V20-A22 HydrophobicContact CG1-CB 4.02Å; A22-F148 HydrophobicContact CB-CE2 4.45Å; A22-A180 WeakPolarHBondContact CA-O 3.36Å; A22-A180 HydrophobicContact CB-CB 4.1Å; A22-L193 HydrophobicContact CB-CD1 4.15Å; A22-F345 PolarHBondContact O-N 3.32Å
23G88.4Confident91.8Very high7 Ų751.4 Ų51.47%0.07226%0.258CS..EExtended strand (participates in β ladder)trans173.2-172.3177.100000112.3L25 A182G23-L25 PolarHBondContact O-N 3.05Å; G23-A182 PolarHBondContact O-N 3.33Å
24D89Confident91.7Very high106 Ų10646.2 Ų46.257%0.56723%0.233SC*.SBendtrans-73.169.4173.2-171.29.3000110.8K183D24-K183 VanDerWaalsContact OD1-CA 3.24Å; D24-K183 WeakPolarHBondContact OD1-CA 3.47Å; D24-K183 WeakPolarHBondContact OD1-CB 3.32Å; D24-K183 WeakPolarHBondContact OD1-CG 3.4Å
25L87.1Confident91.6Very high15 Ų1540.8 Ų40.88%0.07922%0.215CC..  trans-103.3122.2-177.1-63176.4000109.3I21 G23 Y27 Y29 I30 T181I21-L25 HydrophobicContact CG2-CD1 4Å; G23-L25 PolarHBondContact O-N 3.05Å; L25-Y27 PolarHBondContact O-N 3.45Å; L25-Y29 HydrophobicContact CD1-CD1 4.47Å; L25-Y29 HydrophobicContact CD2-CD1 4.09Å; L25-Y29 HydrophobicContact CD2-CE1 4.23Å; L25-I30 HydrophobicContact CB-CG1 4.36Å; L25-T181 VanDerWaalsContact O-CB 3.27Å; L25-T181 WeakPolarHBondContact O-CB 3.44Å; L25-T181 PolarHBondContact O-OG1 2.63Å
26P88.6Confident91.5Very high70 Ų7037.7 Ų37.746%0.45520%0.203SC..  trans-57.6139170.1-23.333.1000110.6G28 Y29 I30P26-G28 PolarHBondContact O-N 3.39Å; P26-G28 VanDerWaalsContact O-N 3.13Å; P26-Y29 WeakPolarHBondContact O-CA 3.37Å; P26-Y29 VanDerWaalsContact O-CB 3.22Å; P26-Y29 WeakPolarHBondContact O-CB 3.23Å; P26-Y29 PolarHBondContact O-N 3.13Å; P26-I30 PolarHBondContact O-N 3.36Å
27Y86.8Confident91.5Very high37 Ų3736.7 Ų36.715%0.14520%0.199CC..Hα-helixtrans-55.9-35.8-178.4-174.5-101.6000113.1L25 Y29 I30 M31 R56 E145L25-Y27 PolarHBondContact O-N 3.45Å; Y27-Y29 PolarHBondContact O-N 2.81Å; Y27-I30 WeakPolarHBondContact O-CB 3.37Å; Y27-I30 PolarHBondContact O-N 3.22Å; Y27-M31 HydrophobicContact CD1-CG 3.85Å; Y27-M31 HydrophobicContact CE1-CE 4.03Å; Y27-M31 HydrophobicContact CE1-CG 3.33Å; Y27-M31 HydrophobicContact CE1-SD 3.81Å; Y27-M31 HydrophobicContact CE2-CE 3.74Å; Y27-M31 PolarHBondContact O-N 3.34Å; Y27-M31 WeakPolarHBondContact OH-CE 3.42Å; Y27-M31 PolarHBondContact OH-SD 3.3Å; Y27-R56 HydrophobicContact CE2-CB 3.79Å; Y27-R56 HydrophobicContact CE2-CG 4.18Å; Y27-R56 WeakPolarHBondContact OH-CB 3.23Å; Y27-E145 HydrophobicContact CE2-CG 4.42Å; Y27-E145 WeakPolarHBondContact CE2-OE1 3.49Å
28G88.5Confident91.3Very high44 Ų4435.1 Ų35.145%0.45419%0.191SC..Hα-helixtrans-58-32.6173.800000113.9P26 N32P26-G28 PolarHBondContact O-N 3.39Å; P26-G28 VanDerWaalsContact O-N 3.13Å; G28-N32 WeakPolarHBondContact O-CB 3.24Å; G28-N32 PolarHBondContact O-N 3.38Å
29Y90.6Very high90.9Very high120 Ų12038.7 Ų38.747%0.47122%0.216SC..Hα-helixtrans-67.4-43.9173.7-176.5-92.2000111.2L25 P26 Y27 M31 N32 T33L25-Y29 HydrophobicContact CD1-CD1 4.47Å; L25-Y29 HydrophobicContact CD2-CD1 4.09Å; L25-Y29 HydrophobicContact CD2-CE1 4.23Å; P26-Y29 WeakPolarHBondContact O-CA 3.37Å; P26-Y29 VanDerWaalsContact O-CB 3.22Å; P26-Y29 WeakPolarHBondContact O-CB 3.23Å; P26-Y29 PolarHBondContact O-N 3.13Å; Y27-Y29 PolarHBondContact O-N 2.81Å; Y29-M31 PolarHBondContact O-N 3.44Å; Y29-N32 PolarHBondContact O-N 3.45Å; Y29-T33 WeakPolarHBondContact O-CB 3.27Å; Y29-T33 PolarHBondContact O-N 3.09Å; Y29-T33 PolarHBondContact O-OG1 2.95Å; Y29-T33 VanDerWaalsContact O-OG1 3.12Å
30I92Very high90.5Very high0 Ų040.4 Ų40.40%023%0.228CC..Hα-helixtrans-59.9-48.1176.8-60.9-177.7000110.2L25 P26 Y27 N32 T33 L34 E145 I179 T181L25-I30 HydrophobicContact CB-CG1 4.36Å; P26-I30 PolarHBondContact O-N 3.36Å; Y27-I30 WeakPolarHBondContact O-CB 3.37Å; Y27-I30 PolarHBondContact O-N 3.22Å; I30-N32 VanDerWaalsContact C-N 3.32Å; I30-N32 PolarHBondContact O-N 2.89Å; I30-T33 WeakPolarHBondContact O-CB 3.34Å; I30-T33 PolarHBondContact O-N 3.34Å; I30-T33 VanDerWaalsContact O-N 3.12Å; I30-L34 WeakPolarHBondContact O-CG 3.04Å; I30-L34 PolarHBondContact O-N 3.47Å; I30-E145 HydrophobicContact CG2-CB 4.37Å; I30-E145 HydrophobicContact CG2-CG 3.59Å; I30-I179 HydrophobicContact CB-CG2 4.47Å; I30-I179 HydrophobicContact CD1-CG2 4.35Å; I30-I179 HydrophobicContact CG1-CG2 4.05Å; I30-I179 HydrophobicContact CG2-CB 4.48Å; I30-I179 HydrophobicContact CG2-CG2 3.91Å; I30-T181 HydrophobicContact CD1-CG2 4.09Å
31M91.1Very high90.2Very high15 Ų1541.1 Ų41.17%0.07423%0.232CC..Hα-helixtrans-61.6-39.6177.7-68.9-58.8100.300112.8Y27 Y29 T33 L34 K35 W74 M88 E145Y27-M31 HydrophobicContact CD1-CG 3.85Å; Y27-M31 HydrophobicContact CE1-CE 4.03Å; Y27-M31 HydrophobicContact CE1-CG 3.33Å; Y27-M31 HydrophobicContact CE1-SD 3.81Å; Y27-M31 HydrophobicContact CE2-CE 3.74Å; Y27-M31 PolarHBondContact O-N 3.34Å; Y27-M31 WeakPolarHBondContact OH-CE 3.42Å; Y27-M31 PolarHBondContact OH-SD 3.3Å; Y29-M31 PolarHBondContact O-N 3.44Å; M31-T33 VanDerWaalsContact C-N 3.34Å; M31-L34 HydrophobicContact CE-CD1 3.44Å; M31-L34 VanDerWaalsContact CE-CD1 3.44Å; M31-L34 HydrophobicContact CE-CG 4.34Å; M31-L34 PolarHBondContact O-N 2.87Å; M31-L34 HydrophobicContact SD-CD1 4.34Å; M31-K35 WeakPolarHBondContact O-CB 3.38Å; M31-K35 VanDerWaalsContact O-CG 3.32Å; M31-K35 WeakPolarHBondContact O-CG 3.16Å; M31-K35 PolarHBondContact O-N 3.05Å; M31-W74 HydrophobicContact SD-CZ2 4.48Å; M31-M88 HydrophobicContact CB-CE 4.12Å; M31-M88 HydrophobicContact CG-CE 4.1Å; M31-E145 HydrophobicContact CE-CG 3.88Å
32N92.3Very high90Very high84 Ų8440.4 Ų40.445%0.44923%0.229SC..Hα-helixtrans-64.6-40.9174.5-167.650.7000111.5G28 Y29 I30 K35 N36G28-N32 WeakPolarHBondContact O-CB 3.24Å; G28-N32 PolarHBondContact O-N 3.38Å; Y29-N32 PolarHBondContact O-N 3.45Å; I30-N32 VanDerWaalsContact C-N 3.32Å; I30-N32 PolarHBondContact O-N 2.89Å; N32-K35 PolarHBondContact O-N 2.59Å; N32-N36 PolarHBondContact ND2-ND2 2.79Å; N32-N36 WeakPolarHBondContact O-CB 3.49Å; N32-N36 PolarHBondContact O-N 3.27Å; N32-N36 PolarHBondContact O-ND2 3.02Å; N32-N36 VanDerWaalsContact O-ND2 3.16Å
33T93.8Very high89.9Confident12 Ų1240.9 Ų40.97%0.07423%0.234CC..Hα-helixtrans-61.2-45.7174.4-66.10000111.7T4 Y29 I30 M31 K35 N36 L37 I179T4-T33 HydrophobicContact CG2-CG2 3.68Å; T4-T33 WeakPolarHBondContact OG1-CG2 3.2Å; Y29-T33 WeakPolarHBondContact O-CB 3.27Å; Y29-T33 PolarHBondContact O-N 3.09Å; Y29-T33 PolarHBondContact O-OG1 2.95Å; Y29-T33 VanDerWaalsContact O-OG1 3.12Å; I30-T33 WeakPolarHBondContact O-CB 3.34Å; I30-T33 PolarHBondContact O-N 3.34Å; I30-T33 VanDerWaalsContact O-N 3.12Å; M31-T33 VanDerWaalsContact C-N 3.34Å; T33-K35 PolarHBondContact O-N 2.87Å; T33-N36 PolarHBondContact O-N 3.12Å; T33-L37 HydrophobicContact CG2-CD1 4.3Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 3.22Å; T33-I179 HydrophobicContact CG2-CD1 3.8Å
34L93.3Very high90Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-60.9-44.5175-65.9-175.3000111.8I30 M31 N36 L37 V38 I52 W74 V143 E145 I179I30-L34 WeakPolarHBondContact O-CG 3.04Å; I30-L34 PolarHBondContact O-N 3.47Å; M31-L34 HydrophobicContact CE-CD1 3.44Å; M31-L34 VanDerWaalsContact CE-CD1 3.44Å; M31-L34 HydrophobicContact CE-CG 4.34Å; M31-L34 PolarHBondContact O-N 2.87Å; M31-L34 HydrophobicContact SD-CD1 4.34Å; L34-N36 PolarHBondContact O-N 3.23Å; L34-L37 HydrophobicContact CD2-CD1 4.21Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.95Å; L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 2.89Å; L34-V38 VanDerWaalsContact O-N 3.1Å; L34-I52 HydrophobicContact CD1-CG2 4.13Å; L34-I52 HydrophobicContact CD2-CG2 4.26Å; L34-W74 HydrophobicContact CB-CH2 4.16Å; L34-W74 HydrophobicContact CB-CZ2 4.43Å; L34-W74 HydrophobicContact CD1-CH2 4.46Å; L34-W74 HydrophobicContact CD1-CZ2 3.92Å; L34-V143 HydrophobicContact CD2-CG1 3.65Å; L34-E145 HydrophobicContact CD1-CB 4.06Å; L34-E145 HydrophobicContact CD1-CG 4.4Å; L34-I179 HydrophobicContact CD2-CD1 4.21Å
35K91.6Very high90.1Very high101 Ų10145.1 Ų45.144%0.43925%0.246SC..Hα-helixtrans-60.1-44.3175.8-74.1176.1-178.9-177.30111.8M31 N32 T33 L37 V38 S39M31-K35 WeakPolarHBondContact O-CB 3.38Å; M31-K35 VanDerWaalsContact O-CG 3.32Å; M31-K35 WeakPolarHBondContact O-CG 3.16Å; M31-K35 PolarHBondContact O-N 3.05Å; N32-K35 PolarHBondContact O-N 2.59Å; T33-K35 PolarHBondContact O-N 2.87Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.38Å; K35-V38 PolarHBondContact O-N 3.39Å; K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 3.1Å; K35-S39 PolarHBondContact O-OG 3.18Å; K35-S39 VanDerWaalsContact O-OG 3.05Å
36N92.1Very high90.2Very high70 Ų7048.8 Ų48.837%0.37427%0.273SS..Hα-helixtrans-66.5-32.4177.8-71-26.7000112.7N32 T33 L34 S40 T41N32-N36 PolarHBondContact ND2-ND2 2.79Å; N32-N36 WeakPolarHBondContact O-CB 3.49Å; N32-N36 PolarHBondContact O-N 3.27Å; N32-N36 PolarHBondContact O-ND2 3.02Å; N32-N36 VanDerWaalsContact O-ND2 3.16Å; T33-N36 PolarHBondContact O-N 3.12Å; L34-N36 PolarHBondContact O-N 3.23Å; N36-S40 PolarHBondContact O-N 3.04Å; N36-S40 VanDerWaalsContact O-N 3.12Å; N36-S40 PolarHBondContact O-OG 3.09Å; N36-T41 PolarHBondContact O-N 2.86Å; N36-T41 PolarHBondContact O-OG1 3.3Å
37L92.2Very high90.5Very high2 Ų245.4 Ų45.41%0.0125%0.251CS..Iπ-helixtrans-61.3-51.5173.2-78167.8000110.7T4 V8 T33 L34 K35 T41 F42 V143 I179T4-L37 HydrophobicContact CG2-CD1 3.85Å; T4-L37 HydrophobicContact CG2-CD2 3.85Å; T4-L37 HydrophobicContact CG2-CG 4.09Å; V8-L37 HydrophobicContact CG2-CD2 3.74Å; T33-L37 HydrophobicContact CG2-CD1 4.3Å; T33-L37 VanDerWaalsContact O-CG 3.31Å; T33-L37 WeakPolarHBondContact O-CG 3.46Å; T33-L37 PolarHBondContact O-N 3.22Å; L34-L37 HydrophobicContact CD2-CD1 4.21Å; L34-L37 WeakPolarHBondContact O-CB 3.46Å; L34-L37 PolarHBondContact O-N 2.95Å; K35-L37 VanDerWaalsContact C-N 3.3Å; K35-L37 PolarHBondContact O-N 3.38Å; L37-T41 HydrophobicContact CD2-CG2 3.81Å; L37-T41 WeakPolarHBondContact O-CB 3.41Å; L37-T41 PolarHBondContact O-N 3.26Å; L37-T41 VanDerWaalsContact O-N 3.09Å; L37-F42 HydrophobicContact CB-CE1 4.05Å; L37-F42 HydrophobicContact CB-CE2 4.19Å; L37-F42 HydrophobicContact CB-CZ 3.79Å; L37-F42 HydrophobicContact CD2-CE1 4.08Å; L37-F42 WeakPolarHBondContact O-CD2 3.45Å; L37-F42 WeakPolarHBondContact O-CG 3.35Å; L37-F42 PolarHBondContact O-N 2.93Å; L37-V143 HydrophobicContact CD1-CG1 4.09Å; L37-V143 HydrophobicContact CD1-CG2 4.32Å; L37-I179 HydrophobicContact CD1-CD1 4.22Å
38V88.7Confident90.9Very high21 Ų2150.3 Ų50.313%0.12727%0.273CS..Iπ-helixtrans-63.4-48.4179.2178.20000112.2L34 K35 F42 I52L34-V38 WeakPolarHBondContact O-CG2 3.47Å; L34-V38 PolarHBondContact O-N 2.89Å; L34-V38 VanDerWaalsContact O-N 3.1Å; K35-V38 PolarHBondContact O-N 3.39Å; V38-F42 HydrophobicContact CG2-CD2 4.47Å; V38-F42 HydrophobicContact CG2-CE2 4.03Å; V38-I52 HydrophobicContact CG2-CD1 3.32Å
39S87.2Confident91.2Very high78 Ų7853.4 Ų53.455%0.54527%0.271SS..Iπ-helixtrans-77.9-25.6-170.865.80000114.3K35K35-S39 WeakPolarHBondContact O-CB 3.42Å; K35-S39 PolarHBondContact O-N 3.1Å; K35-S39 PolarHBondContact O-OG 3.18Å; K35-S39 VanDerWaalsContact O-OG 3.05Å
40S86.4Confident91.5Very high37 Ų3747.7 Ų47.726%0.25925%0.249SC..Iπ-helixtrans-141.1-27.4-167.975.70000115.4N36 K44N36-S40 PolarHBondContact O-N 3.04Å; N36-S40 VanDerWaalsContact O-N 3.12Å; N36-S40 PolarHBondContact O-OG 3.09Å; S40-K44 WeakPolarHBondContact O-CB 3.36Å; S40-K44 WeakPolarHBondContact O-CD 3.44Å; S40-K44 WeakPolarHBondContact O-CE 3.43Å; S40-K44 WeakPolarHBondContact O-CG 3.33Å
41T88.2Confident91.8Very high17 Ų1747.7 Ų47.710%0.10425%0.249CC..Iπ-helixtrans-90.8-43.1-170.4-54.20000111.6V8 N36 L37 K44 H45V8-T41 HydrophobicContact CB-CG2 4.2Å; V8-T41 HydrophobicContact CG1-CG2 4.16Å; N36-T41 PolarHBondContact O-N 2.86Å; N36-T41 PolarHBondContact O-OG1 3.3Å; L37-T41 HydrophobicContact CD2-CG2 3.81Å; L37-T41 WeakPolarHBondContact O-CB 3.41Å; L37-T41 PolarHBondContact O-N 3.26Å; L37-T41 VanDerWaalsContact O-N 3.09Å; T41-K44 PolarHBondContact O-N 3.23Å; T41-H45 VanDerWaalsContact CG2-CD2 3.46Å; T41-H45 WeakPolarHBondContact CG2-CD2 3.27Å; T41-H45 PolarHBondContact O-CD2 3.26Å; T41-H45 PolarHBondContact O-N 3.31Å
42F91.4Very high92.1Very high1 Ų147 Ų470%0.00425%0.246CC..Hα-helixtrans-63.3-45.5-177.5-64.8-27.3000112.5L37 V38 H45 S46 V47 P50 I52 L141 V143L37-F42 HydrophobicContact CB-CE1 4.05Å; L37-F42 HydrophobicContact CB-CE2 4.19Å; L37-F42 HydrophobicContact CB-CZ 3.79Å; L37-F42 HydrophobicContact CD2-CE1 4.08Å; L37-F42 WeakPolarHBondContact O-CD2 3.45Å; L37-F42 WeakPolarHBondContact O-CG 3.35Å; L37-F42 PolarHBondContact O-N 2.93Å; V38-F42 HydrophobicContact CG2-CD2 4.47Å; V38-F42 HydrophobicContact CG2-CE2 4.03Å; F42-H45 CarbonylContact O-C 3.56Å; F42-H45 PolarHBondContact O-N 2.79Å; F42-S46 PolarHBondContact O-N 3.15Å; F42-S46 VanDerWaalsContact O-N 3.09Å; F42-V47 HydrophobicContact CB-CB 3.99Å; F42-V47 HydrophobicContact CD1-CB 4.07Å; F42-V47 HydrophobicContact CD1-CG1 4.19Å; F42-V47 HydrophobicContact CD1-CG2 4.03Å; F42-V47 HydrophobicContact CG-CB 4.28Å; F42-V47 HydrophobicContact CG-CG1 4.49Å; F42-V47 PolarHBondContact O-N 2.85Å; F42-P50 HydrophobicContact CB-CG 4.29Å; F42-P50 HydrophobicContact CD1-CB 4.26Å; F42-P50 HydrophobicContact CD1-CG 4.46Å; F42-P50 HydrophobicContact CD2-CB 3.66Å; F42-P50 HydrophobicContact CD2-CG 3.33Å; F42-P50 HydrophobicContact CE1-CB 4.09Å; F42-P50 HydrophobicContact CE2-CB 3.44Å; F42-P50 VanDerWaalsContact CE2-CB 3.44Å; F42-P50 HydrophobicContact CE2-CG 3.62Å; F42-P50 HydrophobicContact CG-CB 4.07Å; F42-P50 HydrophobicContact CG-CG 3.8Å; F42-P50 HydrophobicContact CZ-CB 3.67Å; F42-P50 HydrophobicContact CZ-CG 4.31Å; F42-I52 HydrophobicContact CE2-CD1 4.17Å; F42-I52 HydrophobicContact CE2-CG1 4.49Å; F42-L141 HydrophobicContact CD1-CD2 4.17Å; F42-L141 HydrophobicContact CE1-CD2 3.67Å; F42-V143 HydrophobicContact CE1-CG2 4.37Å; F42-V143 HydrophobicContact CZ-CG2 4.06Å
43G88.3Confident92.3Very high21 Ų2143.1 Ų43.122%0.21623%0.225CC..Hα-helixtrans-59.7-48.217400000112.2H45 S46G43-H45 VanDerWaalsContact C-N 3.27Å; G43-H45 PolarHBondContact O-N 3Å; G43-S46 PolarHBondContact O-N 3.37Å
44K90.2Very high92.4Very high157 Ų15742.6 Ų42.668%0.68322%0.222SC*.Hα-helixtrans-61.4-31179.2-74.3177.5-166.2172.60114.1S40 T41S40-K44 WeakPolarHBondContact O-CB 3.36Å; S40-K44 WeakPolarHBondContact O-CD 3.44Å; S40-K44 WeakPolarHBondContact O-CE 3.43Å; S40-K44 WeakPolarHBondContact O-CG 3.33Å; T41-K44 PolarHBondContact O-N 3.23Å
45H91.2Very high92.3Very high46 Ų4642.8 Ų42.821%0.21322%0.223CC..THydrogen-bonded Turntrans-106.216.9-177.7-60.5-37.9000113.4G5 V8 F9 T41 F42 G43 V47G5-H45 PolarHBondContact O-NE2 3.05Å; V8-H45 HydrophobicContact CG1-CB 4.37Å; F9-H45 AromaticContact CD2-CE1 3.76Å; F9-H45 AromaticContact CD2-ND1 3.52Å; T41-H45 VanDerWaalsContact CG2-CD2 3.46Å; T41-H45 WeakPolarHBondContact CG2-CD2 3.27Å; T41-H45 PolarHBondContact O-CD2 3.26Å; T41-H45 PolarHBondContact O-N 3.31Å; F42-H45 CarbonylContact O-C 3.56Å; F42-H45 PolarHBondContact O-N 2.79Å; G43-H45 VanDerWaalsContact C-N 3.27Å; G43-H45 PolarHBondContact O-N 3Å; H45-V47 HydrophobicContact CB-CG2 4.33Å; H45-V47 PolarHBondContact O-N 3.38Å
46S90.8Very high92.2Very high91 Ų9139.1 Ų39.164%0.63621%0.207SC*.THydrogen-bonded Turntrans55.633.4175.5-57.10000114F42 G43 K48F42-S46 PolarHBondContact O-N 3.15Å; F42-S46 VanDerWaalsContact O-N 3.09Å; G43-S46 PolarHBondContact O-N 3.37Å; S46-K48 PolarHBondContact O-N 2.57Å
47V94.7Very high92Very high0 Ų036.3 Ų36.30%019%0.194CC..  trans-79.6109.8175-174.10000107.8V8 M12 F42 H45 P50 S70 D140 L141V8-V47 HydrophobicContact CG1-CG2 4.12Å; M12-V47 HydrophobicContact CE-CG2 4.13Å; M12-V47 HydrophobicContact CG-CG2 3.88Å; M12-V47 HydrophobicContact SD-CG2 3.88Å; F42-V47 HydrophobicContact CB-CB 3.99Å; F42-V47 HydrophobicContact CD1-CB 4.07Å; F42-V47 HydrophobicContact CD1-CG1 4.19Å; F42-V47 HydrophobicContact CD1-CG2 4.03Å; F42-V47 HydrophobicContact CG-CB 4.28Å; F42-V47 HydrophobicContact CG-CG1 4.49Å; F42-V47 PolarHBondContact O-N 2.85Å; H45-V47 HydrophobicContact CB-CG2 4.33Å; H45-V47 PolarHBondContact O-N 3.38Å; V47-P50 HydrophobicContact CG1-CB 3.81Å; V47-P50 HydrophobicContact CG1-CG 4.06Å; V47-S70 VanDerWaalsContact O-CB 3.23Å; V47-S70 WeakPolarHBondContact O-CB 3.39Å; V47-S70 PolarHBondContact O-OG 2.73Å; V47-D140 VanDerWaalsContact CG1-OD1 3.31Å; V47-D140 WeakPolarHBondContact CG1-OD1 3.48Å; V47-L141 HydrophobicContact CG1-CB 3.67Å; V47-L141 HydrophobicContact CG1-CD2 3.99Å; V47-L141 HydrophobicContact CG1-CG 4.5Å; V47-L141 HydrophobicContact CG2-CD2 4.08Å
48K94.6Very high91.8Very high140 Ų14040.6 Ų40.661%0.60922%0.217SC*.SBendtrans-84.8-35.6-170.6-63.5-176.3178.6-177.60113.2S46 S70 T71 D140S46-K48 PolarHBondContact O-N 2.57Å; K48-S70 CarbonylContact O-C 3.57Å; K48-S70 VanDerWaalsContact O-CA 3.3Å; K48-S70 WeakPolarHBondContact O-CA 3.34Å; K48-T71 PolarHBondContact O-N 3.41Å; K48-D140 WeakPolarHBondContact CA-OD2 3.14Å; K48-D140 WeakPolarHBondContact CB-OD2 3.38Å; K48-D140 PolarHBondContact N-OD2 3.34Å
49R95.2Very high91.8Very high108 Ų10842.3 Ų42.341%0.40822%0.224SC..SBendtrans-137.264.3-174.7-61.6-173.6-56.1-125.40.9110.9T71 C138 P139 D140R49-T71 WeakPolarHBondContact CA-O 3.34Å; R49-C138 PolarHBondContact NE-O 3.49Å; R49-C138 PolarHBondContact NH2-O 3.31Å; R49-C138 PolarHBondContact NH2-SG 2.91Å; R49-C138 VanDerWaalsContact NH2-SG 3.35Å; R49-P139 WeakPolarHBondContact O-CA 3.34Å; R49-P139 WeakPolarHBondContact O-CB 3.47Å; R49-D140 WeakPolarHBondContact CA-OD1 3.3Å; R49-D140 PolarHBondContact N-OD1 2.85Å; R49-D140 PolarHBondContact N-OD2 2.93Å; R49-D140 PolarHBondContact O-N 3.31Å; R49-D140 VanDerWaalsContact O-N 3.15Å
50P96.6Very high92Very high0 Ų038.7 Ų38.70%020%0.198CC..EExtended strand (participates in β ladder)trans-66.8139.8176.123.7-25.5000110.5F42 V47 C72 L73 H137 L141F42-P50 HydrophobicContact CB-CG 4.29Å; F42-P50 HydrophobicContact CD1-CB 4.26Å; F42-P50 HydrophobicContact CD1-CG 4.46Å; F42-P50 HydrophobicContact CD2-CB 3.66Å; F42-P50 HydrophobicContact CD2-CG 3.33Å; F42-P50 HydrophobicContact CE1-CB 4.09Å; F42-P50 HydrophobicContact CE2-CB 3.44Å; F42-P50 VanDerWaalsContact CE2-CB 3.44Å; F42-P50 HydrophobicContact CE2-CG 3.62Å; F42-P50 HydrophobicContact CG-CB 4.07Å; F42-P50 HydrophobicContact CG-CG 3.8Å; F42-P50 HydrophobicContact CZ-CB 3.67Å; F42-P50 HydrophobicContact CZ-CG 4.31Å; V47-P50 HydrophobicContact CG1-CB 3.81Å; V47-P50 HydrophobicContact CG1-CG 4.06Å; P50-C72 HydrophobicContact CG-CB 3.73Å; P50-C72 WeakPolarHBondContact O-CA 3.49Å; P50-L73 PolarHBondContact O-N 3.1Å; P50-H137 PolarHBondContact O-NE2 2.94Å; P50-L141 WeakPolarHBondContact CA-O 3.41Å
51L97.6Very high92.4Very high1 Ų137.4 Ų37.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-111.2123.6168173.164.1000109.1V53 L73 A134 P139 L141 I142 V143L51-V53 HydrophobicContact CD1-CG2 4.48Å; L51-V53 HydrophobicContact CD2-CG2 4.2Å; L51-V53 HydrophobicContact CG-CG2 4.07Å; L51-L73 CarbonylContact C-O 3.58Å; L51-L73 WeakPolarHBondContact CA-O 3.36Å; L51-L73 HydrophobicContact CD1-CB 4.15Å; L51-L73 HydrophobicContact CD1-CD2 4.06Å; L51-L73 HydrophobicContact CD1-CG 4Å; L51-A134 HydrophobicContact CD2-CB 3.62Å; L51-P139 HydrophobicContact CB-CB 3.75Å; L51-P139 HydrophobicContact CB-CG 4.21Å; L51-P139 HydrophobicContact CD2-CG 4.21Å; L51-L141 PolarHBondContact N-O 3.3Å; L51-I142 HydrophobicContact CB-CG1 4.33Å; L51-I142 HydrophobicContact CD2-CD1 4.47Å; L51-I142 HydrophobicContact CD2-CG1 4.39Å; L51-I142 HydrophobicContact CD2-CG2 4.45Å; L51-I142 CarbonylContact O-C 3.58Å; L51-I142 WeakPolarHBondContact O-CA 3.46Å; L51-V143 PolarHBondContact O-N 3.32Å
52I97.5Very high92.6Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-104125.5170.8-59.7179000108.3L34 V38 F42 L73 W74 L75 V143L34-I52 HydrophobicContact CD1-CG2 4.13Å; L34-I52 HydrophobicContact CD2-CG2 4.26Å; V38-I52 HydrophobicContact CG2-CD1 3.32Å; F42-I52 HydrophobicContact CE2-CD1 4.17Å; F42-I52 HydrophobicContact CE2-CG1 4.49Å; I52-L73 PolarHBondContact N-O 3.4Å; I52-W74 HydrophobicContact CB-CB 4.27Å; I52-W74 HydrophobicContact CB-CD2 4.42Å; I52-W74 HydrophobicContact CB-CG 3.99Å; I52-W74 HydrophobicContact CD1-CD2 4.44Å; I52-W74 HydrophobicContact CD1-CE3 4.38Å; I52-W74 HydrophobicContact CG2-CD2 4.15Å; I52-W74 HydrophobicContact CG2-CG 4.03Å; I52-W74 WeakPolarHBondContact O-CA 3.42Å; I52-L75 PolarHBondContact O-N 3.36Å; I52-V143 CarbonylContact C-O 3.47Å; I52-V143 VanDerWaalsContact CA-O 3.31Å; I52-V143 WeakPolarHBondContact CA-O 3.43Å; I52-V143 HydrophobicContact CG1-CB 4.4Å
53V97.3Very high92.7Very high2 Ų239 Ų391%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-111.8115.71731790000108.3L51 L75 L130 V143 M144 E145L51-V53 HydrophobicContact CD1-CG2 4.48Å; L51-V53 HydrophobicContact CD2-CG2 4.2Å; L51-V53 HydrophobicContact CG-CG2 4.07Å; V53-L75 CarbonylContact C-O 3.57Å; V53-L75 WeakPolarHBondContact CA-O 3.48Å; V53-L130 HydrophobicContact CG1-CD1 3.72Å; V53-L130 HydrophobicContact CG2-CD1 4.32Å; V53-V143 PolarHBondContact N-O 3.22Å; V53-M144 HydrophobicContact CB-CB 4.49Å; V53-M144 HydrophobicContact CB-CG 4.37Å; V53-M144 HydrophobicContact CG1-CG 4.46Å; V53-M144 CarbonylContact O-C 3.6Å; V53-M144 WeakPolarHBondContact O-CA 3.23Å; V53-E145 PolarHBondContact O-N 3.4Å
54S95.3Very high92.8Very high2 Ų239 Ų391%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-110.6149.4174-61.80000110.8W74 L75 N76 T77 E145S54-W74 PolarHBondContact OG-NE1 3.05Å; S54-L75 PolarHBondContact N-O 3.35Å; S54-N76 PolarHBondContact O-OD1 3.12Å; S54-T77 PolarHBondContact O-N 3.05Å; S54-T77 PolarHBondContact O-OG1 3.44Å; S54-E145 VanDerWaalsContact CA-OE2 3.29Å; S54-E145 WeakPolarHBondContact CA-OE2 3.38Å; S54-E145 WeakPolarHBondContact CB-OE2 3.45Å
55S91.4Very high92.8Very high4 Ų432.5 Ų32.53%0.02816%0.161CC..EExtended strand (participates in β ladder)trans-110.2-23.1-178.664.80000113A78 F79 I80 E145S55-A78 CarbonylContact O-C 3.56Å; S55-A78 VanDerWaalsContact O-C 3.27Å; S55-A78 VanDerWaalsContact O-CA 3.24Å; S55-A78 WeakPolarHBondContact O-CA 3.32Å; S55-F79 PolarHBondContact O-N 3.29Å; S55-I80 PolarHBondContact O-N 3.44Å; S55-E145 PolarHBondContact N-OE2 3.28Å; S55-E145 PolarHBondContact OG-O 2.85Å
56R90.2Very high92.6Very high24 Ų2433.6 Ų33.69%0.09117%0.167CC..EExtended strand (participates in β ladder)trans-98.1130.7-177-171.4-168-165.276.69.3113Y27 N76 I80 D147 D150Y27-R56 HydrophobicContact CE2-CB 3.79Å; Y27-R56 HydrophobicContact CE2-CG 4.18Å; Y27-R56 WeakPolarHBondContact OH-CB 3.23Å; R56-N76 PolarHBondContact O-ND2 2.87Å; R56-N76 PolarHBondContact O-OD1 3.12Å; R56-I80 CarbonylContact C-O 3.56Å; R56-I80 VanDerWaalsContact CA-O 3.25Å; R56-I80 WeakPolarHBondContact CA-O 3.31Å; R56-I80 HydrophobicContact CB-CB 4.3Å; R56-I80 HydrophobicContact CB-CG2 4.44Å; R56-I80 HydrophobicContact CG-CB 4.46Å; R56-I80 HydrophobicContact CG-CG2 4.14Å; R56-D147 IonicContact CZ-OD2 2.61Å; R56-D147 IonicContact NH1-OD2 2.85Å; R56-D147 PolarHBondContact NH1-OD2 3.4Å; R56-D150 IonicContact CZ-OD2 3.32Å; R56-D150 IonicContact NH1-OD2 3.89Å; R56-D150 PolarHBondContact NH1-OD2 2.9Å; R56-D150 IonicContact NH2-OD2 2.63Å; R56-D150 PolarHBondContact NH2-OD2 3.25Å
57G87.7Confident92.1Very high11 Ų1131 Ų3111%0.11315%0.149CC..  trans170.7168.8176.100000113.2A78 I80 P81G57-A78 WeakPolarHBondContact O-CB 3.23Å; G57-I80 PolarHBondContact N-O 3.27Å; G57-P81 WeakPolarHBondContact O-CA 3.32Å
58N86.7Confident91.4Very high92 Ų9237.5 Ų37.549%0.49218%0.183SC..SBendtrans-99.4-4.3175-67.5-21.3000112.9S82 L112N58-S82 PolarHBondContact ND2-O 2.9Å; N58-S82 WeakPolarHBondContact OD1-CA 3.27Å; N58-S82 WeakPolarHBondContact OD1-CB 3.45Å; N58-S82 PolarHBondContact OD1-N 2.91Å; N58-S82 PolarHBondContact OD1-O 2.74Å; N58-L112 WeakPolarHBondContact O-CD1 3.41Å
59E89.1Confident90.8Very high57 Ų5734.4 Ų34.427%0.26619%0.191SC..SBendtrans-144.4144.9178.267.1-169.9157.100108F61 A78 R109E59-F61 HydrophobicContact CG-CD1 4.29Å; E59-A78 WeakPolarHBondContact O-CB 3.47Å; E59-R109 IonicContact OE1-CZ 3.62Å; E59-R109 VanDerWaalsContact OE1-CZ 3.32Å; E59-R109 IonicContact OE1-NH1 3.83Å; E59-R109 PolarHBondContact OE1-NH1 2.73Å; E59-R109 IonicContact OE1-NH2 2.8Å; E59-R109 WeakPolarHBondContact OE2-CD 3.23Å; E59-R109 IonicContact OE2-CZ 2.76Å; E59-R109 IonicContact OE2-NE 3.8Å; E59-R109 IonicContact OE2-NH1 3.78Å; E59-R109 PolarHBondContact OE2-NH1 2.96Å
60M92.5Very high90.4Very high1 Ų129.5 Ų29.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-77.7137.4165.8175.6-176.5-6400107.9F62 N76 R109 V110 L112 V125 L129 M223M60-F62 HydrophobicContact CG-CE2 3.89Å; M60-F62 HydrophobicContact CG-CZ 4.18Å; M60-F62 HydrophobicContact SD-CE2 3.9Å; M60-F62 HydrophobicContact SD-CZ 3.89Å; M60-N76 VanDerWaalsContact CA-O 3.3Å; M60-N76 WeakPolarHBondContact CA-O 3.17Å; M60-N76 VanDerWaalsContact CG-O 3.27Å; M60-N76 WeakPolarHBondContact CG-O 3.44Å; M60-R109 WeakPolarHBondContact O-CA 3.24Å; M60-V110 HydrophobicContact CB-CB 4.16Å; M60-V110 HydrophobicContact CG-CB 4.42Å; M60-V110 PolarHBondContact N-O 3.14Å; M60-V110 VanDerWaalsContact N-O 3.14Å; M60-V110 PolarHBondContact O-N 2.76Å; M60-V110 HydrophobicContact SD-CB 4.44Å; M60-L112 HydrophobicContact CB-CD2 4.05Å; M60-V125 HydrophobicContact CE-CG1 3.58Å; M60-V125 HydrophobicContact CE-CG2 4.43Å; M60-L129 HydrophobicContact CE-CD2 4.31Å; M60-L129 HydrophobicContact SD-CD2 3.58Å; M60-L129 VanDerWaalsContact SD-CD2 3.58Å; M60-M223 HydrophobicContact CE-CE 4.44Å; M60-M223 HydrophobicContact CE-SD 3.48Å; M60-M223 WeakPolarHBondContact CE-SD 3.36Å; M60-M223 HydrophobicContact SD-SD 4.13Å
61F93.8Very high90.2Very high10 Ų1031.1 Ų31.14%0.04418%0.183CC..EExtended strand (participates in β ladder)trans-146.4155.9175.271.9-104.1000113.3E59 K63 W74 L75 N76 L90 V108 R109E59-F61 HydrophobicContact CG-CD1 4.29Å; F61-K63 HydrophobicContact CD2-CB 4.01Å; F61-K63 HydrophobicContact CE2-CB 4.13Å; F61-W74 HydrophobicContact CE2-CB 4.47Å; F61-W74 AromaticContact CE2-CD1 3.9Å; F61-W74 HydrophobicContact CE2-CD2 4.35Å; F61-W74 AromaticContact CE2-CG 3.98Å; F61-W74 HydrophobicContact CE2-CG 3.98Å; F61-W74 HydrophobicContact CZ-CD2 4.48Å; F61-W74 HydrophobicContact CZ-CG 4.45Å; F61-W74 AromaticContact CZ-NE1 3.99Å; F61-L75 WeakPolarHBondContact O-CA 3.31Å; F61-N76 HydrophobicContact CD1-CB 3.53Å; F61-N76 HydrophobicContact CD2-CB 4.24Å; F61-N76 HydrophobicContact CE1-CB 3.29Å; F61-N76 WeakPolarHBondContact CE1-ND2 3.28Å; F61-N76 HydrophobicContact CE2-CB 4.01Å; F61-N76 HydrophobicContact CG-CB 4.01Å; F61-N76 HydrophobicContact CZ-CB 3.53Å; F61-N76 PolarHBondContact N-O 3.25Å; F61-N76 PolarHBondContact O-N 3.21Å; F61-L90 HydrophobicContact CE1-CD1 4.17Å; F61-L90 HydrophobicContact CZ-CD1 4.37Å; F61-V108 CarbonylContact C-O 3.55Å; F61-V108 WeakPolarHBondContact CA-O 3.44Å; F61-V108 WeakPolarHBondContact CB-O 3.26Å; F61-R109 HydrophobicContact CB-CG 4.2Å
62F93.6Very high90Very high1 Ų131.1 Ų31.10%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-126.4110.5174-54-97.3000107.4M60 W74 L75 C107 V108 V110 L129 I133 A227 L231M60-F62 HydrophobicContact CG-CE2 3.89Å; M60-F62 HydrophobicContact CG-CZ 4.18Å; M60-F62 HydrophobicContact SD-CE2 3.9Å; M60-F62 HydrophobicContact SD-CZ 3.89Å; F62-W74 CarbonylContact C-O 3.51Å; F62-W74 WeakPolarHBondContact CA-O 3.33Å; F62-L75 HydrophobicContact CD1-CB 4.35Å; F62-L75 HydrophobicContact CD1-CD1 3.82Å; F62-L75 HydrophobicContact CD1-CG 3.72Å; F62-L75 HydrophobicContact CE1-CD1 3.4Å; F62-L75 VanDerWaalsContact CE1-CD1 3.4Å; F62-L75 HydrophobicContact CE1-CD2 4.39Å; F62-L75 HydrophobicContact CE1-CG 3.48Å; F62-L75 VanDerWaalsContact CE1-CG 3.48Å; F62-L75 HydrophobicContact CZ-CD1 4.45Å; F62-L75 HydrophobicContact CZ-CG 4.32Å; F62-C107 CarbonylContact O-C 3.27Å; F62-C107 VanDerWaalsContact O-CA 3.25Å; F62-C107 WeakPolarHBondContact O-CA 3.44Å; F62-V108 HydrophobicContact CB-CB 4.29Å; F62-V108 HydrophobicContact CD2-CB 4.26Å; F62-V108 HydrophobicContact CD2-CG1 4.34Å; F62-V108 PolarHBondContact N-O 3.1Å; F62-V108 PolarHBondContact O-N 2.92Å; F62-V110 HydrophobicContact CE2-CG2 4.21Å; F62-L129 HydrophobicContact CE1-CG 4.35Å; F62-L129 HydrophobicContact CE2-CD2 4.41Å; F62-L129 HydrophobicContact CZ-CD1 4.3Å; F62-L129 HydrophobicContact CZ-CD2 3.64Å; F62-L129 HydrophobicContact CZ-CG 3.88Å; F62-I133 HydrophobicContact CD1-CD1 3.88Å; F62-I133 HydrophobicContact CE1-CD1 3.33Å; F62-I133 HydrophobicContact CZ-CD1 4.1Å; F62-A227 HydrophobicContact CE2-CB 4.22Å; F62-L231 HydrophobicContact CB-CD2 3.9Å; F62-L231 HydrophobicContact CD1-CD1 3.98Å; F62-L231 HydrophobicContact CD1-CD2 4.31Å; F62-L231 HydrophobicContact CD2-CD1 4.05Å; F62-L231 HydrophobicContact CD2-CD2 4.23Å; F62-L231 HydrophobicContact CD2-CG 4.4Å; F62-L231 HydrophobicContact CE1-CD1 3.94Å; F62-L231 HydrophobicContact CE2-CD1 4.04Å; F62-L231 HydrophobicContact CG-CD1 4.05Å; F62-L231 HydrophobicContact CG-CD2 3.89Å; F62-L231 HydrophobicContact CG-CG 4.44Å; F62-L231 HydrophobicContact CZ-CD1 4Å
63K92.3Very high89.8Confident52 Ų5231.2 Ų31.223%0.22618%0.183CC..EExtended strand (participates in β ladder)trans-118.3120.9-179.2-175.4-179.8-179.8-179.90109.4F61 T65 W74 T105 F106 C107F61-K63 HydrophobicContact CD2-CB 4.01Å; F61-K63 HydrophobicContact CE2-CB 4.13Å; K63-T65 HydrophobicContact CD-CG2 4.23Å; K63-T65 HydrophobicContact CG-CG2 4.16Å; K63-W74 HydrophobicContact CB-CB 4.4Å; K63-W74 PolarHBondContact N-O 3.25Å; K63-W74 PolarHBondContact O-N 3.09Å; K63-T105 HydrophobicContact CG-CG2 4.25Å; K63-F106 CarbonylContact C-O 3.58Å; K63-F106 VanDerWaalsContact CA-O 3.32Å; K63-F106 WeakPolarHBondContact CA-O 3.4Å; K63-C107 HydrophobicContact CB-CB 4.48Å; K63-C107 HydrophobicContact CG-CB 4.36Å
64Q90.7Very high89.7Confident19 Ų1932.3 Ų32.39%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-103.4129170-179.1164.6-3800109.3H66 T71 C72 L73 T105 F106 Y235Q64-H66 PolarHBondContact NE2-CE1 2.84Å; Q64-H66 PolarHBondContact NE2-NE2 2.7Å; Q64-T71 HydrophobicContact CG-CG2 3.84Å; Q64-C72 CarbonylContact C-O 3.57Å; Q64-C72 VanDerWaalsContact CA-O 3.26Å; Q64-C72 WeakPolarHBondContact CA-O 3.45Å; Q64-L73 HydrophobicContact CB-CD1 4.45Å; Q64-T105 VanDerWaalsContact O-CA 3.23Å; Q64-T105 WeakPolarHBondContact O-CA 3.43Å; Q64-T105 WeakPolarHBondContact O-CG2 3.47Å; Q64-F106 HydrophobicContact CB-CD1 3.92Å; Q64-F106 HydrophobicContact CB-CD2 4.18Å; Q64-F106 HydrophobicContact CB-CE1 3.43Å; Q64-F106 VanDerWaalsContact CB-CE1 3.43Å; Q64-F106 HydrophobicContact CB-CE2 3.7Å; Q64-F106 HydrophobicContact CB-CG 4.3Å; Q64-F106 HydrophobicContact CB-CZ 3.33Å; Q64-F106 VanDerWaalsContact CD-CZ 3.43Å; Q64-F106 HydrophobicContact CG-CD1 4.45Å; Q64-F106 HydrophobicContact CG-CE1 3.72Å; Q64-F106 HydrophobicContact CG-CZ 3.9Å; Q64-F106 PolarHBondContact N-O 2.98Å; Q64-F106 PolarHBondContact O-N 3.29Å; Q64-F106 VanDerWaalsContact O-N 3.1Å; Q64-Y235 VanDerWaalsContact OE1-CZ 3.23Å; Q64-Y235 PolarHBondContact OE1-OH 2.94Å
65T89.5Confident89.7Confident22 Ų2232.4 Ų32.414%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-122.5135.7175.457.40000109.4K63 C72 T105K63-T65 HydrophobicContact CD-CG2 4.23Å; K63-T65 HydrophobicContact CG-CG2 4.16Å; T65-C72 PolarHBondContact N-O 3.34Å; T65-C72 PolarHBondContact O-N 3.05Å; T65-C72 WeakPolarHBondContact OG1-CB 3.48Å; T65-T105 HydrophobicContact CG2-CG2 3.84Å
66H86.9Confident89.9Confident69 Ų6932.6 Ų32.632%0.31919%0.189SC..EExtended strand (participates in β ladder)trans-104.6121.2172.4-67.8-96.5000109.8Q64 S70 T71 N104Q64-H66 PolarHBondContact NE2-CE1 2.84Å; Q64-H66 PolarHBondContact NE2-NE2 2.7Å; H66-S70 WeakPolarHBondContact CA-O 3.46Å; H66-T71 WeakPolarHBondContact CE1-CG2 3.16Å; H66-T71 PolarHBondContact CE1-OG1 3.33Å; H66-T71 VanDerWaalsContact CE1-OG1 3.27Å; H66-T71 PolarHBondContact ND1-OG1 2.92Å; H66-T71 VanDerWaalsContact ND1-OG1 3.12Å; H66-N104 HydrophobicContact CB-CB 3.65Å; H66-N104 PolarHBondContact CD2-O 3.09Å; H66-N104 PolarHBondContact N-O 3.44Å; H66-N104 VanDerWaalsContact N-O 3.14Å
67S80.2Confident90Very high37 Ų3731.5 Ų31.526%0.25919%0.185SC..EExtended strand (participates in β ladder)trans-146.2135.5177.155.70000110G69 S70S67-G69 PolarHBondContact O-N 2.94Å; S67-S70 PolarHBondContact N-O 3.37Å; S67-S70 WeakPolarHBondContact O-CA 3.36Å; S67-S70 WeakPolarHBondContact O-CB 3.33Å; S67-S70 PolarHBondContact O-N 3.44Å
68D80.8Confident90.2Very high135 Ų13531.2 Ų31.272%0.72218%0.181SC*.THydrogen-bonded Turntrans49.536.7173.1-60.8-21.4000115.8S70D68-S70 PolarHBondContact O-N 3.17Å
69G81.2Confident90.5Very high75 Ų7527 Ų2777%0.77316%0.158SC*.THydrogen-bonded Turntrans77.41.4-17700000114.7S67S67-G69 PolarHBondContact O-N 2.94Å
70S87.7Confident90.6Very high5 Ų524.3 Ų24.34%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-91.8138.4171.1-54.10000110.6V47 K48 H66 S67 D68V47-S70 VanDerWaalsContact O-CB 3.23Å; V47-S70 WeakPolarHBondContact O-CB 3.39Å; V47-S70 PolarHBondContact O-OG 2.73Å; K48-S70 CarbonylContact O-C 3.57Å; K48-S70 VanDerWaalsContact O-CA 3.3Å; K48-S70 WeakPolarHBondContact O-CA 3.34Å; H66-S70 WeakPolarHBondContact CA-O 3.46Å; S67-S70 PolarHBondContact N-O 3.37Å; S67-S70 WeakPolarHBondContact O-CA 3.36Å; S67-S70 WeakPolarHBondContact O-CB 3.33Å; S67-S70 PolarHBondContact O-N 3.44Å; D68-S70 PolarHBondContact O-N 3.17Å
71T91.4Very high90.3Very high34 Ų3426.4 Ų26.421%0.20916%0.16CC..EExtended strand (participates in β ladder)trans-111.494170.2-57.70000107.9K48 R49 Q64 H66 H137K48-T71 PolarHBondContact O-N 3.41Å; R49-T71 WeakPolarHBondContact CA-O 3.34Å; Q64-T71 HydrophobicContact CG-CG2 3.84Å; H66-T71 WeakPolarHBondContact CE1-CG2 3.16Å; H66-T71 PolarHBondContact CE1-OG1 3.33Å; H66-T71 VanDerWaalsContact CE1-OG1 3.27Å; H66-T71 PolarHBondContact ND1-OG1 2.92Å; H66-T71 VanDerWaalsContact ND1-OG1 3.12Å; T71-H137 PolarHBondContact O-CE1 3.17Å; T71-H137 VanDerWaalsContact O-CE1 3.3Å
72C93.7Very high89.8Confident1 Ų126.9 Ų26.91%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-85.4129.2-179.9-175.40000110P50 Q64 T65P50-C72 HydrophobicContact CG-CB 3.73Å; P50-C72 WeakPolarHBondContact O-CA 3.49Å; Q64-C72 CarbonylContact C-O 3.57Å; Q64-C72 VanDerWaalsContact CA-O 3.26Å; Q64-C72 WeakPolarHBondContact CA-O 3.45Å; T65-C72 PolarHBondContact N-O 3.34Å; T65-C72 PolarHBondContact O-N 3.05Å; T65-C72 WeakPolarHBondContact OG1-CB 3.48Å
73L94.4Very high88.5Confident2 Ų233 Ų331%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-105.1123.6168.1179.759000108.9P50 L51 I52 Q64 I133 H137 Y235P50-L73 PolarHBondContact O-N 3.1Å; L51-L73 CarbonylContact C-O 3.58Å; L51-L73 WeakPolarHBondContact CA-O 3.36Å; L51-L73 HydrophobicContact CD1-CB 4.15Å; L51-L73 HydrophobicContact CD1-CD2 4.06Å; L51-L73 HydrophobicContact CD1-CG 4Å; I52-L73 PolarHBondContact N-O 3.4Å; Q64-L73 HydrophobicContact CB-CD1 4.45Å; L73-I133 HydrophobicContact CD2-CG2 3.62Å; L73-H137 HydrophobicContact CD2-CB 3.9Å; L73-Y235 WeakPolarHBondContact CD1-OH 3.27Å
74W95.3Very high86.9Confident26 Ų2636 Ų3610%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-112.4114.9173.8-169.7-17000109.2M31 L34 I52 S54 F61 F62 K63M31-W74 HydrophobicContact SD-CZ2 4.48Å; L34-W74 HydrophobicContact CB-CH2 4.16Å; L34-W74 HydrophobicContact CB-CZ2 4.43Å; L34-W74 HydrophobicContact CD1-CH2 4.46Å; L34-W74 HydrophobicContact CD1-CZ2 3.92Å; I52-W74 HydrophobicContact CB-CB 4.27Å; I52-W74 HydrophobicContact CB-CD2 4.42Å; I52-W74 HydrophobicContact CB-CG 3.99Å; I52-W74 HydrophobicContact CD1-CD2 4.44Å; I52-W74 HydrophobicContact CD1-CE3 4.38Å; I52-W74 HydrophobicContact CG2-CD2 4.15Å; I52-W74 HydrophobicContact CG2-CG 4.03Å; I52-W74 WeakPolarHBondContact O-CA 3.42Å; S54-W74 PolarHBondContact OG-NE1 3.05Å; F61-W74 HydrophobicContact CE2-CB 4.47Å; F61-W74 AromaticContact CE2-CD1 3.9Å; F61-W74 HydrophobicContact CE2-CD2 4.35Å; F61-W74 AromaticContact CE2-CG 3.98Å; F61-W74 HydrophobicContact CE2-CG 3.98Å; F61-W74 HydrophobicContact CZ-CD2 4.48Å; F61-W74 HydrophobicContact CZ-CG 4.45Å; F61-W74 AromaticContact CZ-NE1 3.99Å; F62-W74 CarbonylContact C-O 3.51Å; F62-W74 WeakPolarHBondContact CA-O 3.33Å; K63-W74 HydrophobicContact CB-CB 4.4Å; K63-W74 PolarHBondContact N-O 3.25Å; K63-W74 PolarHBondContact O-N 3.09Å
75L95.3Very high84.6Confident4 Ų441.9 Ų41.92%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-109.3117175.8-171.6163.9000109.1I52 V53 S54 F61 F62 T77 L130 I133I52-L75 PolarHBondContact O-N 3.36Å; V53-L75 CarbonylContact C-O 3.57Å; V53-L75 WeakPolarHBondContact CA-O 3.48Å; S54-L75 PolarHBondContact N-O 3.35Å; F61-L75 WeakPolarHBondContact O-CA 3.31Å; F62-L75 HydrophobicContact CD1-CB 4.35Å; F62-L75 HydrophobicContact CD1-CD1 3.82Å; F62-L75 HydrophobicContact CD1-CG 3.72Å; F62-L75 HydrophobicContact CE1-CD1 3.4Å; F62-L75 VanDerWaalsContact CE1-CD1 3.4Å; F62-L75 HydrophobicContact CE1-CD2 4.39Å; F62-L75 HydrophobicContact CE1-CG 3.48Å; F62-L75 VanDerWaalsContact CE1-CG 3.48Å; F62-L75 HydrophobicContact CZ-CD1 4.45Å; F62-L75 HydrophobicContact CZ-CG 4.32Å; L75-T77 HydrophobicContact CD2-CG2 3.37Å; L75-L130 HydrophobicContact CD1-CB 4.17Å; L75-L130 HydrophobicContact CD1-CD1 4.23Å; L75-L130 HydrophobicContact CD1-CG 3.77Å; L75-L130 HydrophobicContact CD2-CD1 3.73Å; L75-L130 HydrophobicContact CD2-CG 4.2Å; L75-I133 HydrophobicContact CD1-CG2 4.5Å
76N95Very high82.1Confident8 Ų843.3 Ų43.34%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-102.3118.3167.6-170.62.9000109.5S54 R56 M60 F61 A78S54-N76 PolarHBondContact O-OD1 3.12Å; R56-N76 PolarHBondContact O-ND2 2.87Å; R56-N76 PolarHBondContact O-OD1 3.12Å; M60-N76 VanDerWaalsContact CA-O 3.3Å; M60-N76 WeakPolarHBondContact CA-O 3.17Å; M60-N76 VanDerWaalsContact CG-O 3.27Å; M60-N76 WeakPolarHBondContact CG-O 3.44Å; F61-N76 HydrophobicContact CD1-CB 3.53Å; F61-N76 HydrophobicContact CD2-CB 4.24Å; F61-N76 HydrophobicContact CE1-CB 3.29Å; F61-N76 WeakPolarHBondContact CE1-ND2 3.28Å; F61-N76 HydrophobicContact CE2-CB 4.01Å; F61-N76 HydrophobicContact CG-CB 4.01Å; F61-N76 HydrophobicContact CZ-CB 3.53Å; F61-N76 PolarHBondContact N-O 3.25Å; F61-N76 PolarHBondContact O-N 3.21Å; N76-A78 PolarHBondContact OD1-N 2.9Å
77T92.5Very high79.8Confident1 Ų149.8 Ų49.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-81.1-20.5178.855.40000113.1S54 L75 F79 L130S54-T77 PolarHBondContact O-N 3.05Å; S54-T77 PolarHBondContact O-OG1 3.44Å; L75-T77 HydrophobicContact CD2-CG2 3.37Å; T77-F79 HydrophobicContact CG2-CE1 4.18Å; T77-F79 HydrophobicContact CG2-CE2 4.16Å; T77-F79 HydrophobicContact CG2-CZ 3.95Å; T77-F79 PolarHBondContact O-N 3.26Å; T77-F79 WeakPolarHBondContact OG1-CG 3.37Å; T77-L130 HydrophobicContact CG2-CD1 3.6Å
78A92.1Very high77.8Confident4 Ų452.7 Ų52.73%0.03330%0.301CS..EExtended strand (participates in β ladder)trans48.637.8-174.300000114S55 G57 E59 N76 I80 L112S55-A78 CarbonylContact O-C 3.56Å; S55-A78 VanDerWaalsContact O-C 3.27Å; S55-A78 VanDerWaalsContact O-CA 3.24Å; S55-A78 WeakPolarHBondContact O-CA 3.32Å; G57-A78 WeakPolarHBondContact O-CB 3.23Å; E59-A78 WeakPolarHBondContact O-CB 3.47Å; N76-A78 PolarHBondContact OD1-N 2.9Å; A78-I80 PolarHBondContact O-N 2.83Å; A78-L112 HydrophobicContact CB-CD1 3.61Å; A78-L112 HydrophobicContact CB-CD2 4.08Å; A78-L112 HydrophobicContact CB-CG 4.35Å
79F92.8Very high75.5Confident4 Ų452.4 Ų52.42%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-60.5-22.4170.5-69.9-11.7000113.6S55 T77 L117 R122 V125 M164S55-F79 PolarHBondContact O-N 3.29Å; T77-F79 HydrophobicContact CG2-CE1 4.18Å; T77-F79 HydrophobicContact CG2-CE2 4.16Å; T77-F79 HydrophobicContact CG2-CZ 3.95Å; T77-F79 PolarHBondContact O-N 3.26Å; T77-F79 WeakPolarHBondContact OG1-CG 3.37Å; F79-L117 HydrophobicContact CD1-CD1 4.18Å; F79-R122 HydrophobicContact CB-CG 4.4Å; F79-R122 HydrophobicContact CD1-CB 4.27Å; F79-R122 HydrophobicContact CD1-CG 3.78Å; F79-R122 HydrophobicContact CD2-CB 4.38Å; F79-R122 HydrophobicContact CD2-CG 4.31Å; F79-R122 HydrophobicContact CE1-CB 4.05Å; F79-R122 HydrophobicContact CE1-CG 4.03Å; F79-R122 HydrophobicContact CE2-CB 4.18Å; F79-R122 HydrophobicContact CG-CB 4.43Å; F79-R122 HydrophobicContact CG-CG 3.92Å; F79-R122 HydrophobicContact CZ-CB 4Å; F79-R122 HydrophobicContact CZ-CG 4.41Å; F79-R122 WeakPolarHBondContact CZ-O 3.42Å; F79-R122 PolarHBondContact O-NE 2.87Å; F79-R122 PolarHBondContact O-NH2 3.32Å; F79-V125 HydrophobicContact CE1-CB 3.93Å; F79-V125 HydrophobicContact CE1-CG1 3.79Å; F79-V125 HydrophobicContact CZ-CB 4.18Å; F79-V125 HydrophobicContact CZ-CG1 4.08Å; F79-M164 HydrophobicContact CE2-CE 4Å; F79-M164 HydrophobicContact CE2-SD 4.25Å
80I90.8Very high73.8Confident0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-119.1107.4177.7-60177.6000108.1S55 R56 G57 A78 D147 D150 L154 I156S55-I80 PolarHBondContact O-N 3.44Å; R56-I80 CarbonylContact C-O 3.56Å; R56-I80 VanDerWaalsContact CA-O 3.25Å; R56-I80 WeakPolarHBondContact CA-O 3.31Å; R56-I80 HydrophobicContact CB-CB 4.3Å; R56-I80 HydrophobicContact CB-CG2 4.44Å; R56-I80 HydrophobicContact CG-CB 4.46Å; R56-I80 HydrophobicContact CG-CG2 4.14Å; G57-I80 PolarHBondContact N-O 3.27Å; A78-I80 PolarHBondContact O-N 2.83Å; I80-D147 HydrophobicContact CD1-CB 3.82Å; I80-D150 HydrophobicContact CG2-CB 3.55Å; I80-L154 HydrophobicContact CB-CD1 4.12Å; I80-L154 HydrophobicContact CG1-CD1 4.1Å; I80-L154 HydrophobicContact CG2-CD1 3.78Å; I80-I156 HydrophobicContact CD1-CD1 4.31Å; I80-I156 HydrophobicContact CG1-CD1 3.79Å
81P87.2Confident71Confident46 Ų4656.3 Ų56.330%0.29931%0.306SS..  trans-62.2141175.225.4-34.2000111G57 H83 L154G57-P81 WeakPolarHBondContact O-CA 3.32Å; P81-H83 PolarHBondContact O-N 3.49Å; P81-L154 HydrophobicContact CG-CD1 4.43Å; P81-L154 HydrophobicContact CG-CD2 4.43Å
82S81.7Confident68.1Low19 Ų1957.6 Ų57.613%0.13332%0.316CS..  trans-86113175.2-170.30000110.3N58 E84N58-S82 PolarHBondContact ND2-O 2.9Å; N58-S82 WeakPolarHBondContact OD1-CA 3.27Å; N58-S82 WeakPolarHBondContact OD1-CB 3.45Å; N58-S82 PolarHBondContact OD1-N 2.91Å; N58-S82 PolarHBondContact OD1-O 2.74Å; S82-E84 PolarHBondContact O-N 3.43Å; S82-E84 VanDerWaalsContact O-N 3.14Å
83H68Low65.2Low131 Ų13162.7 Ų62.761%0.60635%0.349SS*.  trans-66-8.5173.6-74.6-72.5000114.1P81 V85P81-H83 PolarHBondContact O-N 3.49Å; H83-V85 PolarHBondContact O-N 3.05Å
84E58.2Low62.2Low114 Ų11466.5 Ų66.553%0.53338%0.376SS..  trans-77.174.2173.1-64.8-172.4176.800110.4S82 G86S82-E84 PolarHBondContact O-N 3.43Å; S82-E84 VanDerWaalsContact O-N 3.14Å; E84-G86 PolarHBondContact O-N 3.35Å
85V41.6Very low59.1Low142 Ų14273.2 Ų73.286%0.86141%0.414SS*.  trans-70.175.3165-176.10000107.5H83H83-V85 PolarHBondContact O-N 3.05Å
86G38.2Very low56.2Low52 Ų5282 Ų8254%0.53646%0.455SS..SBendtrans142.2114.5175.900000113.3E84E84-G86 PolarHBondContact O-N 3.35Å
87K37.3Very low53.1Low205 Ų20590.9 Ų90.989%0.89149%0.493SS*.SBendtrans99.2-7.4161-63.1-179.3172.7177.20120.9I89K87-I89 VanDerWaalsContact C-N 3.29Å; K87-I89 PolarHBondContact O-N 3.13Å; K87-I89 VanDerWaalsContact O-N 3.16Å
88M38.1Very low50.1Low98 Ų98101.1 Ų101.148%0.48354%0.537SS..  trans-88.973161.5-85-165121.100110.9M31 L90M31-M88 HydrophobicContact CB-CE 4.12Å; M31-M88 HydrophobicContact CG-CE 4.1Å; M88-L90 VanDerWaalsContact C-N 3.28Å; M88-L90 PolarHBondContact O-N 2.94Å
89I33.7Very low47.2Very low130 Ų130109.1 Ų109.167%0.66757%0.574SS**  trans-67.792.6161.1-59171.4000106.5K87K87-I89 VanDerWaalsContact C-N 3.29Å; K87-I89 PolarHBondContact O-N 3.13Å; K87-I89 VanDerWaalsContact O-N 3.16Å
90L44.2Very low44.3Very low65 Ų65113.9 Ų113.934%0.3461%0.606SS.*  trans-60.6131.9136.6-93.9151.2000105.1F61 M88 S92F61-L90 HydrophobicContact CE1-CD1 4.17Å; F61-L90 HydrophobicContact CZ-CD1 4.37Å; M88-L90 VanDerWaalsContact C-N 3.28Å; M88-L90 PolarHBondContact O-N 2.94Å; L90-S92 PolarHBondContact O-N 3.32Å
91P30.5Very low41.9Very low97 Ų97118.7 Ų118.763%0.6364%0.639SS**  trans-50.8105.4-169.618.8-30.1000109.6R109P91-R109 PolarHBondContact O-NH2 2.89Å
92S29.8Very low39.7Very low60 Ų60124 Ų12442%0.4267%0.665SS.*  trans-70.6121172.837.70000106L90 S94L90-S92 PolarHBondContact O-N 3.32Å; S92-S94 PolarHBondContact O-N 2.87Å
93P33.2Very low38.5Very low109 Ų109129.7 Ų129.771%0.70869%0.694SS**SBendtrans-79.168.4178.434.1-33.5000108.6
94S30.2Very low38.4Very low82 Ų82129.3 Ų129.357%0.57370%0.696SS**SBendtrans-160107.417057.50000109S92S92-S94 PolarHBondContact O-N 2.87Å
95N31Very low39.4Very low166 Ų166126.5 Ų126.589%0.88869%0.687SS**SBendtrans94.920.9168.9-55.1-25.7000119.5
96E34.9Very low41.5Very low190 Ų190122.3 Ų122.389%0.88866%0.657SS**SBendtrans-107.4140.3156.2-74.8-174.2169.600110.6K98E96-K98 PolarHBondContact O-N 3.36Å
97K30.1Very low43.9Very low194 Ų194122.6 Ų122.684%0.84365%0.651SS**  trans-40.8137.6-175.8-68.2164.8178172.80110.7E99K97-E99 PolarHBondContact O-N 2.9Å
98K29.3Very low46.5Very low215 Ų215113.1 Ų113.194%0.93561%0.61SS**  trans-47.181.5166.6-156.1178.7-169.6-179.20109.8E96E96-K98 PolarHBondContact O-N 3.36Å
99E31.3Very low49Very low172 Ų172111.9 Ų111.980%0.80460%0.6SS**  trans-66.2136.3164.8-75.5-114.9144.200106.9K97 S101K97-E99 PolarHBondContact O-N 2.9Å; E99-S101 PolarHBondContact O-N 2.89Å
100P30.5Very low51.7Low105 Ų105105.9 Ų105.968%0.68257%0.569SS**  trans-70.3129.5179.531.1-30.7000109D102P100-D102 PolarHBondContact O-N 3.43Å
101S40.2Very low53.8Low100 Ų100110.5 Ų110.570%0.69959%0.589SS**SBendtrans18103.2136.862.70000117.2E99E99-S101 PolarHBondContact O-N 2.89Å
102D41.8Very low56.5Low158 Ų158108.1 Ų108.185%0.84557%0.571SS**  trans17879.4137.5-97.4-10.9000107.6P100P100-D102 PolarHBondContact O-N 3.43Å
103D56.5Low59.2Low138 Ų138106.3 Ų106.374%0.73856%0.557SS**  trans-162.8124.5159.5-121-22.4000112.1T105D103-T105 PolarHBondContact O-N 2.87Å
104N65.5Low61.5Low124 Ų124106.1 Ų106.166%0.66357%0.565SS**  trans-69.366.6174.7-81.4-25.5000109.5H66H66-N104 HydrophobicContact CB-CB 3.65Å; H66-N104 PolarHBondContact CD2-O 3.09Å; H66-N104 PolarHBondContact N-O 3.44Å; H66-N104 VanDerWaalsContact N-O 3.14Å
105T79.7Confident64Low55 Ų55104.8 Ų104.834%0.33756%0.556SS.*EExtended strand (participates in β ladder)trans-135130.4178.1-66.20000109.1K63 Q64 T65 D103K63-T105 HydrophobicContact CG-CG2 4.25Å; Q64-T105 VanDerWaalsContact O-CA 3.23Å; Q64-T105 WeakPolarHBondContact O-CA 3.43Å; Q64-T105 WeakPolarHBondContact O-CG2 3.47Å; T65-T105 HydrophobicContact CG2-CG2 3.84Å; D103-T105 PolarHBondContact O-N 2.87Å
106F85.4Confident66.5Low54 Ų54105.4 Ų105.424%0.23755%0.546CS..EExtended strand (participates in β ladder)trans-129.2154.5170.462.2-94.8000110.7K63 Q64 L234 Y235K63-F106 CarbonylContact C-O 3.58Å; K63-F106 VanDerWaalsContact CA-O 3.32Å; K63-F106 WeakPolarHBondContact CA-O 3.4Å; Q64-F106 HydrophobicContact CB-CD1 3.92Å; Q64-F106 HydrophobicContact CB-CD2 4.18Å; Q64-F106 HydrophobicContact CB-CE1 3.43Å; Q64-F106 VanDerWaalsContact CB-CE1 3.43Å; Q64-F106 HydrophobicContact CB-CE2 3.7Å; Q64-F106 HydrophobicContact CB-CG 4.3Å; Q64-F106 HydrophobicContact CB-CZ 3.33Å; Q64-F106 VanDerWaalsContact CD-CZ 3.43Å; Q64-F106 HydrophobicContact CG-CD1 4.45Å; Q64-F106 HydrophobicContact CG-CE1 3.72Å; Q64-F106 HydrophobicContact CG-CZ 3.9Å; Q64-F106 PolarHBondContact N-O 2.98Å; Q64-F106 PolarHBondContact O-N 3.29Å; Q64-F106 VanDerWaalsContact O-N 3.1Å; F106-L234 HydrophobicContact CD2-CD1 3.74Å; F106-L234 HydrophobicContact CE2-CB 4.46Å; F106-L234 HydrophobicContact CE2-CD1 4.16Å; F106-L234 HydrophobicContact CG-CD1 4.47Å; F106-Y235 HydrophobicContact CE2-CD2 4.48Å; F106-Y235 HydrophobicContact CE2-CE1 4.18Å; F106-Y235 AromaticContact CE2-CE2 3.53Å; F106-Y235 HydrophobicContact CE2-CE2 3.53Å; F106-Y235 AromaticContact CE2-CZ 3.39Å; F106-Y235 WeakPolarHBondContact CE2-OH 3.23Å; F106-Y235 HydrophobicContact CZ-CD1 4.39Å; F106-Y235 AromaticContact CZ-CE1 3.54Å; F106-Y235 HydrophobicContact CZ-CE1 3.54Å; F106-Y235 AromaticContact CZ-CE2 3.79Å; F106-Y235 HydrophobicContact CZ-CE2 3.79Å; F106-Y235 AromaticContact CZ-CZ 3.2Å; F106-Y235 WeakPolarHBondContact CZ-OH 3.15Å
107C89.3Confident69.1Low58 Ų5897.1 Ų97.139%0.39251%0.507SS..EExtended strand (participates in β ladder)trans-142.2122.1-176.5-171.20000109.9F62 K63F62-C107 CarbonylContact O-C 3.27Å; F62-C107 VanDerWaalsContact O-CA 3.25Å; F62-C107 WeakPolarHBondContact O-CA 3.44Å; K63-C107 HydrophobicContact CB-CB 4.48Å; K63-C107 HydrophobicContact CG-CB 4.36Å
108V90.4Very high72Confident6 Ų690.1 Ų90.14%0.03648%0.483CS..EExtended strand (participates in β ladder)trans-100.5129.2168.5177.50000107.5F61 F62 V110 Q230 L231 L234F61-V108 CarbonylContact C-O 3.55Å; F61-V108 WeakPolarHBondContact CA-O 3.44Å; F61-V108 WeakPolarHBondContact CB-O 3.26Å; F62-V108 HydrophobicContact CB-CB 4.29Å; F62-V108 HydrophobicContact CD2-CB 4.26Å; F62-V108 HydrophobicContact CD2-CG1 4.34Å; F62-V108 PolarHBondContact N-O 3.1Å; F62-V108 PolarHBondContact O-N 2.92Å; V108-V110 HydrophobicContact CG1-CG2 4.15Å; V108-Q230 HydrophobicContact CG1-CB 3.69Å; V108-Q230 HydrophobicContact CG1-CG 4.48Å; V108-L231 HydrophobicContact CB-CD2 4.33Å; V108-L231 HydrophobicContact CG2-CD2 4Å; V108-L234 HydrophobicContact CG2-CD1 3.24Å; V108-L234 HydrophobicContact CG2-CG 4.47Å
109R91.6Very high74.9Confident72 Ų7281.4 Ų81.427%0.27246%0.455SS..EExtended strand (participates in β ladder)trans-115.4138.1176-67.4169.8177.5-118.5-1.9108.6E59 M60 F61 P91E59-R109 IonicContact OE1-CZ 3.62Å; E59-R109 VanDerWaalsContact OE1-CZ 3.32Å; E59-R109 IonicContact OE1-NH1 3.83Å; E59-R109 PolarHBondContact OE1-NH1 2.73Å; E59-R109 IonicContact OE1-NH2 2.8Å; E59-R109 WeakPolarHBondContact OE2-CD 3.23Å; E59-R109 IonicContact OE2-CZ 2.76Å; E59-R109 IonicContact OE2-NE 3.8Å; E59-R109 IonicContact OE2-NH1 3.78Å; E59-R109 PolarHBondContact OE2-NH1 2.96Å; M60-R109 WeakPolarHBondContact O-CA 3.24Å; F61-R109 HydrophobicContact CB-CG 4.2Å; P91-R109 PolarHBondContact O-NH2 2.89Å
110V90.1Very high77.8Confident3 Ų374.2 Ų74.22%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-128.8123.9-177.5-173.60000107.7M60 F62 V108 M223 A227M60-V110 HydrophobicContact CB-CB 4.16Å; M60-V110 HydrophobicContact CG-CB 4.42Å; M60-V110 PolarHBondContact N-O 3.14Å; M60-V110 VanDerWaalsContact N-O 3.14Å; M60-V110 PolarHBondContact O-N 2.76Å; M60-V110 HydrophobicContact SD-CB 4.44Å; F62-V110 HydrophobicContact CE2-CG2 4.21Å; V108-V110 HydrophobicContact CG1-CG2 4.15Å; V110-M223 HydrophobicContact CG1-CG 3.73Å; V110-A227 HydrophobicContact CB-CB 4.47Å; V110-A227 HydrophobicContact CG1-CB 4.19Å; V110-A227 HydrophobicContact CG2-CB 3.66Å
111E88.2Confident80.8Confident162 Ų16269.5 Ų69.576%0.75739%0.391SS*.PPolyproline II helixtrans-65.8135178-65.3-176.2172.500110M223E111-M223 VanDerWaalsContact O-CG 3.31Å; E111-M223 WeakPolarHBondContact O-CG 3.4Å
112L87.6Confident83.4Confident47 Ų4765.4 Ų65.425%0.24636%0.361CS..PPolyproline II helixtrans-78.6150.9176.8-65173.4000110.5N58 M60 A78 M223N58-L112 WeakPolarHBondContact O-CD1 3.41Å; M60-L112 HydrophobicContact CB-CD2 4.05Å; A78-L112 HydrophobicContact CB-CD1 3.61Å; A78-L112 HydrophobicContact CB-CD2 4.08Å; A78-L112 HydrophobicContact CB-CG 4.35Å; L112-M223 HydrophobicContact CD2-CE 4.3Å
113P86.9Confident85.9Confident22 Ų2259.7 Ų59.714%0.14333%0.33CS..PPolyproline II helixtrans-52.1147.3168.4-30.238.6000111.8S115 L117 E219 M223P113-S115 PolarHBondContact O-N 3.01Å; P113-L117 HydrophobicContact CG-CD2 3.88Å; P113-E219 HydrophobicContact CB-CB 3.8Å; P113-E219 WeakPolarHBondContact CB-OE2 3.42Å; P113-E219 HydrophobicContact CG-CB 4.01Å; P113-M223 HydrophobicContact CG-CB 4.31Å; P113-M223 HydrophobicContact CG-CE 3.53Å
114A80.8Confident87.6Confident106 Ų10655.2 Ų55.288%0.87630%0.304SS*.SBendtrans-64.4-31.2172.900000111
115S82.6Confident89Confident54 Ų5449.4 Ų49.438%0.37827%0.273SS..SBendtrans-80.1151.3173.165.90000112.1P113 L117 E219P113-S115 PolarHBondContact O-N 3.01Å; S115-L117 PolarHBondContact O-N 3.22Å; S115-E219 WeakPolarHBondContact CB-OE2 3.38Å; S115-E219 PolarHBondContact N-OE2 2.92Å; S115-E219 PolarHBondContact OG-OE2 3.18Å
116R83.5Confident89.7Confident178 Ų17846.8 Ų46.867%0.67226%0.257SS*.PPolyproline II helixtrans-69132.4172.9-68.5-177.6177.5-168.5-2.3109.4S118R116-S118 PolarHBondContact O-N 2.85Å
117L89.7Confident90.1Very high16 Ų1646.8 Ų46.88%0.08426%0.259CS..PPolyproline II helixtrans-58.8128.8173.1-60.2177.6000110.4F79 P113 S115 D121 R122 C220 M223F79-L117 HydrophobicContact CD1-CD1 4.18Å; P113-L117 HydrophobicContact CG-CD2 3.88Å; S115-L117 PolarHBondContact O-N 3.22Å; L117-D121 HydrophobicContact CB-CB 4Å; L117-D121 HydrophobicContact CD2-CB 3.95Å; L117-R122 HydrophobicContact CB-CG 4.08Å; L117-R122 PolarHBondContact O-NH1 2.77Å; L117-R122 PolarHBondContact O-NH2 3.35Å; L117-C220 HydrophobicContact CD2-CB 4.29Å; L117-M223 HydrophobicContact CD1-CE 4.1Å; L117-M223 HydrophobicContact CD2-CE 3.65Å; L117-M223 HydrophobicContact CG-CE 4.45Å
118S90.9Very high90.3Very high47 Ų4746.4 Ų46.433%0.32925%0.252SS..  trans-74.2174.5171.870.40000111.6R116 V120 D121 R122R116-S118 PolarHBondContact O-N 2.85Å; S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.39Å; S118-V120 PolarHBondContact OG-N 2.93Å; S118-D121 VanDerWaalsContact CB-OD2 3.29Å; S118-D121 WeakPolarHBondContact CB-OD2 3.5Å; S118-D121 PolarHBondContact N-OD2 3.47Å; S118-D121 PolarHBondContact O-N 2.89Å; S118-D121 PolarHBondContact OG-N 3.24Å; S118-D121 VanDerWaalsContact OG-N 3.12Å; S118-D121 PolarHBondContact OG-OD2 3.04Å; S118-R122 WeakPolarHBondContact O-CG 3.36Å; S118-R122 PolarHBondContact O-N 2.81Å; S118-R122 PolarHBondContact O-NH1 3.34Å
119G90.9Very high90.4Very high33 Ų3346.2 Ų46.234%0.3425%0.25SS..Hα-helixtrans-58.8-40.7172.200000112.2R122 L123G119-R122 PolarHBondContact O-N 2.98Å; G119-L123 WeakPolarHBondContact O-CB 3.35Å; G119-L123 PolarHBondContact O-N 3.33Å
120V92Very high90.5Very high21 Ų2142.9 Ų42.913%0.12724%0.238CC..Hα-helixtrans-67.1-40.5177.6178.90000111.2S118 L123 F124 V211 V216S118-V120 VanDerWaalsContact C-N 3.27Å; S118-V120 PolarHBondContact O-N 3.39Å; S118-V120 PolarHBondContact OG-N 2.93Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-F124 WeakPolarHBondContact O-CB 3.2Å; V120-F124 PolarHBondContact O-N 3.35Å; V120-V211 VanDerWaalsContact CG2-O 3.24Å; V120-V211 WeakPolarHBondContact CG2-O 3.34Å; V120-V216 HydrophobicContact CG1-CG2 3.74Å
121D93.5Very high90.7Very high6 Ų643.4 Ų43.43%0.03224%0.241CC..Hα-helixtrans-63.3-43.7176-64.7-53.8000111.8L117 S118 L123 F124 V125 V216 S217 C220L117-D121 HydrophobicContact CB-CB 4Å; L117-D121 HydrophobicContact CD2-CB 3.95Å; S118-D121 VanDerWaalsContact CB-OD2 3.29Å; S118-D121 WeakPolarHBondContact CB-OD2 3.5Å; S118-D121 PolarHBondContact N-OD2 3.47Å; S118-D121 PolarHBondContact O-N 2.89Å; S118-D121 PolarHBondContact OG-N 3.24Å; S118-D121 VanDerWaalsContact OG-N 3.12Å; S118-D121 PolarHBondContact OG-OD2 3.04Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 2.82Å; D121-F124 WeakPolarHBondContact O-CB 3.35Å; D121-F124 PolarHBondContact O-N 2.76Å; D121-V125 WeakPolarHBondContact O-CG2 3.25Å; D121-V125 PolarHBondContact O-N 3.35Å; D121-V216 WeakPolarHBondContact OD1-CG1 3.42Å; D121-S217 PolarHBondContact OD1-N 2.75Å; D121-S217 PolarHBondContact OD1-OG 2.98Å; D121-C220 HydrophobicContact CB-CB 4.08Å; D121-C220 VanDerWaalsContact OD1-CB 3.23Å; D121-C220 WeakPolarHBondContact OD1-CB 3.42Å
122R94.3Very high90.9Very high14 Ų1436.7 Ų36.75%0.05321%0.211CC..Hα-helixtrans-62.8-41.8176.8-68.2-177-171.286.8-3.4111.5F79 L117 S118 G119 F124 V125 F126 L160F79-R122 HydrophobicContact CB-CG 4.4Å; F79-R122 HydrophobicContact CD1-CB 4.27Å; F79-R122 HydrophobicContact CD1-CG 3.78Å; F79-R122 HydrophobicContact CD2-CB 4.38Å; F79-R122 HydrophobicContact CD2-CG 4.31Å; F79-R122 HydrophobicContact CE1-CB 4.05Å; F79-R122 HydrophobicContact CE1-CG 4.03Å; F79-R122 HydrophobicContact CE2-CB 4.18Å; F79-R122 HydrophobicContact CG-CB 4.43Å; F79-R122 HydrophobicContact CG-CG 3.92Å; F79-R122 HydrophobicContact CZ-CB 4Å; F79-R122 HydrophobicContact CZ-CG 4.41Å; F79-R122 WeakPolarHBondContact CZ-O 3.42Å; F79-R122 PolarHBondContact O-NE 2.87Å; F79-R122 PolarHBondContact O-NH2 3.32Å; L117-R122 HydrophobicContact CB-CG 4.08Å; L117-R122 PolarHBondContact O-NH1 2.77Å; L117-R122 PolarHBondContact O-NH2 3.35Å; S118-R122 WeakPolarHBondContact O-CG 3.36Å; S118-R122 PolarHBondContact O-N 2.81Å; S118-R122 PolarHBondContact O-NH1 3.34Å; G119-R122 PolarHBondContact O-N 2.98Å; R122-F124 VanDerWaalsContact C-N 3.33Å; R122-V125 PolarHBondContact O-N 3.4Å; R122-F126 WeakPolarHBondContact O-CB 3.34Å; R122-F126 PolarHBondContact O-N 2.95Å; R122-L160 HydrophobicContact CB-CD2 3.89Å
123L93.5Very high91.2Very high38 Ų3834.7 Ų34.720%0.19920%0.201CC..Hα-helixtrans-63.7-39.9175.5-175.562.7000111.5G119 V120 D121 F126 N127 L160 F163 V211G119-L123 WeakPolarHBondContact O-CB 3.35Å; G119-L123 PolarHBondContact O-N 3.33Å; V120-L123 PolarHBondContact O-N 3.47Å; D121-L123 VanDerWaalsContact C-N 3.33Å; D121-L123 PolarHBondContact O-N 2.82Å; L123-F126 PolarHBondContact O-N 3.27Å; L123-N127 WeakPolarHBondContact CD1-ND2 3.33Å; L123-N127 WeakPolarHBondContact O-CB 3.41Å; L123-N127 PolarHBondContact O-N 3.45Å; L123-N127 PolarHBondContact O-ND2 2.89Å; L123-L160 HydrophobicContact CB-CD1 4.46Å; L123-L160 HydrophobicContact CD1-CD1 4.36Å; L123-F163 HydrophobicContact CD1-CD1 3.47Å; L123-F163 VanDerWaalsContact CD1-CD1 3.47Å; L123-F163 HydrophobicContact CD1-CE1 3.31Å; L123-F163 HydrophobicContact CD1-CG 4.27Å; L123-F163 HydrophobicContact CD1-CZ 4Å; L123-V211 HydrophobicContact CB-CG1 4.36Å; L123-V211 HydrophobicContact CD2-CG1 4.05Å
124F93.5Very high91.5Very high43 Ų4333.7 Ų33.719%0.18919%0.194CC..Hα-helixtrans-62.1-51.3175.2179.4-93.9000111.5V120 D121 R122 F126 N127 Q128 V216 I221 T224V120-F124 WeakPolarHBondContact O-CB 3.2Å; V120-F124 PolarHBondContact O-N 3.35Å; D121-F124 WeakPolarHBondContact O-CB 3.35Å; D121-F124 PolarHBondContact O-N 2.76Å; R122-F124 VanDerWaalsContact C-N 3.33Å; F124-F126 VanDerWaalsContact C-N 3.27Å; F124-F126 PolarHBondContact O-N 2.86Å; F124-N127 PolarHBondContact O-N 3.39Å; F124-Q128 HydrophobicContact CD2-CG 3.71Å; F124-Q128 HydrophobicContact CE1-CB 4.35Å; F124-Q128 HydrophobicContact CE1-CG 4.4Å; F124-Q128 HydrophobicContact CE2-CB 4.39Å; F124-Q128 HydrophobicContact CE2-CG 3.61Å; F124-Q128 HydrophobicContact CG-CG 4.19Å; F124-Q128 HydrophobicContact CZ-CB 4.26Å; F124-Q128 HydrophobicContact CZ-CG 3.97Å; F124-Q128 VanDerWaalsContact O-CB 3.24Å; F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 WeakPolarHBondContact O-CG 3.48Å; F124-Q128 PolarHBondContact O-N 3.29Å; F124-V216 HydrophobicContact CB-CG1 3.97Å; F124-V216 HydrophobicContact CB-CG2 3.84Å; F124-V216 HydrophobicContact CD1-CG1 3.83Å; F124-V216 HydrophobicContact CD2-CB 4.42Å; F124-V216 HydrophobicContact CD2-CG1 4.01Å; F124-V216 HydrophobicContact CD2-CG2 3.68Å; F124-V216 HydrophobicContact CE1-CG1 4.29Å; F124-V216 HydrophobicContact CE2-CG1 4.44Å; F124-V216 HydrophobicContact CE2-CG2 4.44Å; F124-V216 HydrophobicContact CG-CB 4.45Å; F124-V216 HydrophobicContact CG-CG1 3.67Å; F124-V216 HydrophobicContact CG-CG2 3.89Å; F124-I221 HydrophobicContact CE1-CG1 4.29Å; F124-I221 HydrophobicContact CZ-CG1 4.09Å; F124-T224 HydrophobicContact CE1-CG2 3.9Å
125V94.5Very high92.1Very high2 Ų234.6 Ų34.61%0.01218%0.176CC..Hα-helixtrans-57.4-43175.5171.90000110.9M60 F79 D121 R122 L129 L130 M223M60-V125 HydrophobicContact CE-CG1 3.58Å; M60-V125 HydrophobicContact CE-CG2 4.43Å; F79-V125 HydrophobicContact CE1-CB 3.93Å; F79-V125 HydrophobicContact CE1-CG1 3.79Å; F79-V125 HydrophobicContact CZ-CB 4.18Å; F79-V125 HydrophobicContact CZ-CG1 4.08Å; D121-V125 WeakPolarHBondContact O-CG2 3.25Å; D121-V125 PolarHBondContact O-N 3.35Å; R122-V125 PolarHBondContact O-N 3.4Å; V125-L129 HydrophobicContact CG1-CD2 4.36Å; V125-L129 WeakPolarHBondContact O-CA 3.24Å; V125-L129 VanDerWaalsContact O-CB 3.23Å; V125-L129 WeakPolarHBondContact O-CB 3.35Å; V125-L129 PolarHBondContact O-N 2.86Å; V125-L130 PolarHBondContact O-N 2.85Å; V125-L130 VanDerWaalsContact O-N 3.1Å; V125-M223 HydrophobicContact CG2-CE 4.46Å
126F95.1Very high92.5Very high0 Ų033.4 Ų33.40%017%0.169CC..Iπ-helixtrans-62.3-48.5178.8-177.8-101.4000112.2R122 L123 F124 L130 L131 F163 M164 N167 L168R122-F126 WeakPolarHBondContact O-CB 3.34Å; R122-F126 PolarHBondContact O-N 2.95Å; L123-F126 PolarHBondContact O-N 3.27Å; F124-F126 VanDerWaalsContact C-N 3.27Å; F124-F126 PolarHBondContact O-N 2.86Å; F126-L130 HydrophobicContact CD2-CB 4.19Å; F126-L130 HydrophobicContact CD2-CD1 3.98Å; F126-L130 HydrophobicContact CD2-CD2 3.88Å; F126-L130 HydrophobicContact CD2-CG 4.22Å; F126-L130 HydrophobicContact CE2-CD1 4.3Å; F126-L130 HydrophobicContact CE2-CD2 3.61Å; F126-L130 HydrophobicContact CE2-CG 4.42Å; F126-L130 HydrophobicContact CZ-CD2 4.5Å; F126-L130 PolarHBondContact O-N 3.34Å; F126-L131 HydrophobicContact CD1-CD1 3.99Å; F126-L131 HydrophobicContact CD1-CG 4.03Å; F126-L131 HydrophobicContact CE1-CD1 3.54Å; F126-L131 HydrophobicContact CE1-CD2 3.9Å; F126-L131 HydrophobicContact CE1-CG 3.6Å; F126-L131 HydrophobicContact CE2-CD2 4.3Å; F126-L131 HydrophobicContact CE2-CG 4.36Å; F126-L131 HydrophobicContact CZ-CD1 4.17Å; F126-L131 HydrophobicContact CZ-CD2 3.62Å; F126-L131 HydrophobicContact CZ-CG 3.77Å; F126-L131 PolarHBondContact O-N 3.48Å; F126-F163 AromaticContact CD1-CD1 3.99Å; F126-F163 HydrophobicContact CD1-CD1 3.99Å; F126-F163 AromaticContact CD1-CE1 3.66Å; F126-F163 HydrophobicContact CD1-CE1 3.66Å; F126-F163 AromaticContact CE1-CD1 3.93Å; F126-F163 HydrophobicContact CE1-CD1 3.93Å; F126-F163 AromaticContact CE1-CE1 3.71Å; F126-F163 HydrophobicContact CE1-CE1 3.71Å; F126-M164 HydrophobicContact CD1-CG 4.29Å; F126-M164 HydrophobicContact CD2-CB 4.45Å; F126-M164 HydrophobicContact CD2-CE 3.72Å; F126-M164 HydrophobicContact CD2-CG 3.73Å; F126-M164 HydrophobicContact CD2-SD 4.39Å; F126-M164 HydrophobicContact CE1-CB 4.47Å; F126-M164 HydrophobicContact CE1-CG 4.21Å; F126-M164 HydrophobicContact CE2-CB 3.87Å; F126-M164 HydrophobicContact CE2-CE 3.89Å; F126-M164 HydrophobicContact CE2-CG 3.66Å; F126-M164 HydrophobicContact CG-CG 4.05Å; F126-M164 VanDerWaalsContact CZ-CA 3.5Å; F126-M164 HydrophobicContact CZ-CB 3.89Å; F126-M164 HydrophobicContact CZ-CG 3.91Å; F126-N167 HydrophobicContact CE1-CB 3.96Å; F126-N167 HydrophobicContact CZ-CB 4.05Å; F126-L168 HydrophobicContact CE2-CG 4.37Å; F126-L168 HydrophobicContact CZ-CG 4.28Å
127N93.4Very high92.9Very high54 Ų5425.8 Ų25.829%0.28914%0.141SC..Iπ-helixtrans-75.7-37.9-177-75.2-37.5000113.9L123 F124 P132 F163L123-N127 WeakPolarHBondContact CD1-ND2 3.33Å; L123-N127 WeakPolarHBondContact O-CB 3.41Å; L123-N127 PolarHBondContact O-N 3.45Å; L123-N127 PolarHBondContact O-ND2 2.89Å; F124-N127 PolarHBondContact O-N 3.39Å; N127-P132 WeakPolarHBondContact O-CD 3.42Å; N127-P132 WeakPolarHBondContact O-CG 3.3Å; N127-F163 WeakPolarHBondContact OD1-CE1 3.29Å
128Q92.7Very high93.2Very high50 Ų5028.3 Ų28.323%0.23416%0.159CC..Iπ-helixtrans-96-11.7-171.2-61.3-65.9-2300113.3F124 T224 F242 L322F124-Q128 HydrophobicContact CD2-CG 3.71Å; F124-Q128 HydrophobicContact CE1-CB 4.35Å; F124-Q128 HydrophobicContact CE1-CG 4.4Å; F124-Q128 HydrophobicContact CE2-CB 4.39Å; F124-Q128 HydrophobicContact CE2-CG 3.61Å; F124-Q128 HydrophobicContact CG-CG 4.19Å; F124-Q128 HydrophobicContact CZ-CB 4.26Å; F124-Q128 HydrophobicContact CZ-CG 3.97Å; F124-Q128 VanDerWaalsContact O-CB 3.24Å; F124-Q128 WeakPolarHBondContact O-CB 3.42Å; F124-Q128 WeakPolarHBondContact O-CG 3.48Å; F124-Q128 PolarHBondContact O-N 3.29Å; Q128-T224 HydrophobicContact CB-CG2 4.29Å; Q128-F242 VanDerWaalsContact O-CE1 3.31Å; Q128-F242 WeakPolarHBondContact O-CE1 3.16Å; Q128-L322 PolarHBondContact NE2-O 3.06Å
129L92.8Very high93.5Very high2 Ų226.3 Ų26.31%0.0115%0.145CC..Iπ-helixtrans-129.5-61.6-178.8-170.262.3000111.5M60 F62 V125 P132 I133 T224 A227 V228 L231 F242M60-L129 HydrophobicContact CE-CD2 4.31Å; M60-L129 HydrophobicContact SD-CD2 3.58Å; M60-L129 VanDerWaalsContact SD-CD2 3.58Å; F62-L129 HydrophobicContact CE1-CG 4.35Å; F62-L129 HydrophobicContact CE2-CD2 4.41Å; F62-L129 HydrophobicContact CZ-CD1 4.3Å; F62-L129 HydrophobicContact CZ-CD2 3.64Å; F62-L129 HydrophobicContact CZ-CG 3.88Å; V125-L129 HydrophobicContact CG1-CD2 4.36Å; V125-L129 WeakPolarHBondContact O-CA 3.24Å; V125-L129 VanDerWaalsContact O-CB 3.23Å; V125-L129 WeakPolarHBondContact O-CB 3.35Å; V125-L129 PolarHBondContact O-N 2.86Å; L129-P132 WeakPolarHBondContact O-CD 3.14Å; L129-I133 HydrophobicContact CD1-CD1 3.73Å; L129-I133 HydrophobicContact CG-CD1 3.95Å; L129-I133 WeakPolarHBondContact O-CB 3.28Å; L129-I133 VanDerWaalsContact O-CD1 3.27Å; L129-I133 WeakPolarHBondContact O-CD1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.27Å; L129-I133 PolarHBondContact O-N 3.47Å; L129-T224 HydrophobicContact CB-CG2 4.1Å; L129-T224 HydrophobicContact CD2-CG2 4.45Å; L129-A227 HydrophobicContact CD1-CB 3.93Å; L129-A227 HydrophobicContact CD2-CB 3.7Å; L129-A227 HydrophobicContact CG-CB 4.49Å; L129-V228 HydrophobicContact CD1-CG2 3.65Å; L129-L231 HydrophobicContact CD1-CD1 4.17Å; L129-F242 HydrophobicContact CD1-CZ 4.32Å
130L94.5Very high93.7Very high2 Ų225.9 Ų25.91%0.0114%0.135CC..Iπ-helixtrans-63.9-54-171.9-173.7156.1000112.3V53 L75 T77 V125 F126 I133 A134 L168V53-L130 HydrophobicContact CG1-CD1 3.72Å; V53-L130 HydrophobicContact CG2-CD1 4.32Å; L75-L130 HydrophobicContact CD1-CB 4.17Å; L75-L130 HydrophobicContact CD1-CD1 4.23Å; L75-L130 HydrophobicContact CD1-CG 3.77Å; L75-L130 HydrophobicContact CD2-CD1 3.73Å; L75-L130 HydrophobicContact CD2-CG 4.2Å; T77-L130 HydrophobicContact CG2-CD1 3.6Å; V125-L130 PolarHBondContact O-N 2.85Å; V125-L130 VanDerWaalsContact O-N 3.1Å; F126-L130 HydrophobicContact CD2-CB 4.19Å; F126-L130 HydrophobicContact CD2-CD1 3.98Å; F126-L130 HydrophobicContact CD2-CD2 3.88Å; F126-L130 HydrophobicContact CD2-CG 4.22Å; F126-L130 HydrophobicContact CE2-CD1 4.3Å; F126-L130 HydrophobicContact CE2-CD2 3.61Å; F126-L130 HydrophobicContact CE2-CG 4.42Å; F126-L130 HydrophobicContact CZ-CD2 4.5Å; F126-L130 PolarHBondContact O-N 3.34Å; L130-I133 PolarHBondContact O-N 3Å; L130-A134 HydrophobicContact CD2-CB 4.41Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.25Å; L130-L168 HydrophobicContact CD2-CD2 4.08Å
131L94.4Very high94Very high14 Ų1424.9 Ų24.97%0.07313%0.129CC..Hα-helixtrans-58.6-52.4-179.2-77.6-177.6000111.8F126 I133 A134 Y135 N167 L168F126-L131 HydrophobicContact CD1-CD1 3.99Å; F126-L131 HydrophobicContact CD1-CG 4.03Å; F126-L131 HydrophobicContact CE1-CD1 3.54Å; F126-L131 HydrophobicContact CE1-CD2 3.9Å; F126-L131 HydrophobicContact CE1-CG 3.6Å; F126-L131 HydrophobicContact CE2-CD2 4.3Å; F126-L131 HydrophobicContact CE2-CG 4.36Å; F126-L131 HydrophobicContact CZ-CD1 4.17Å; F126-L131 HydrophobicContact CZ-CD2 3.62Å; F126-L131 HydrophobicContact CZ-CG 3.77Å; F126-L131 PolarHBondContact O-N 3.48Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 PolarHBondContact O-N 3.34Å; L131-A134 PolarHBondContact O-N 2.81Å; L131-Y135 HydrophobicContact CD2-CE2 4.42Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.42Å; L131-Y135 PolarHBondContact O-N 3Å; L131-N167 HydrophobicContact CD1-CB 4.11Å; L131-N167 HydrophobicContact CD2-CB 3.97Å; L131-L168 HydrophobicContact CD2-CD2 4.35Å
132P92.6Very high94.2Very high22 Ų2224.6 Ų24.614%0.14313%0.128CC..Hα-helixtrans-51.1-45176.5-30.235000113.5N127 L129 A136 I241 F242N127-P132 WeakPolarHBondContact O-CD 3.42Å; N127-P132 WeakPolarHBondContact O-CG 3.3Å; L129-P132 WeakPolarHBondContact O-CD 3.14Å; P132-A136 WeakPolarHBondContact O-CB 3.18Å; P132-A136 PolarHBondContact O-N 3.22Å; P132-I241 HydrophobicContact CB-CG2 3.51Å; P132-F242 HydrophobicContact CB-CE1 3.74Å; P132-F242 HydrophobicContact CB-CZ 3.78Å; P132-F242 HydrophobicContact CG-CE1 4.12Å
133I92.5Very high94.4Very high4 Ų424 Ų242%0.02113%0.125CC..Hα-helixtrans-66.3-42.6177.4-67.2164.9000111.4F62 L73 L75 L129 L130 L131 A136 H137 L231 L238 F242F62-I133 HydrophobicContact CD1-CD1 3.88Å; F62-I133 HydrophobicContact CE1-CD1 3.33Å; F62-I133 HydrophobicContact CZ-CD1 4.1Å; L73-I133 HydrophobicContact CD2-CG2 3.62Å; L75-I133 HydrophobicContact CD1-CG2 4.5Å; L129-I133 HydrophobicContact CD1-CD1 3.73Å; L129-I133 HydrophobicContact CG-CD1 3.95Å; L129-I133 WeakPolarHBondContact O-CB 3.28Å; L129-I133 VanDerWaalsContact O-CD1 3.27Å; L129-I133 WeakPolarHBondContact O-CD1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 3.27Å; L129-I133 PolarHBondContact O-N 3.47Å; L130-I133 PolarHBondContact O-N 3Å; L131-I133 VanDerWaalsContact C-N 3.27Å; L131-I133 PolarHBondContact O-N 3.34Å; I133-A136 WeakPolarHBondContact O-CB 3.3Å; I133-A136 PolarHBondContact O-N 3.47Å; I133-H137 WeakPolarHBondContact O-CB 3.29Å; I133-H137 PolarHBondContact O-N 3.38Å; I133-L231 HydrophobicContact CD1-CD1 3.38Å; I133-L231 HydrophobicContact CG1-CD1 4.31Å; I133-L238 HydrophobicContact CG1-CD1 4.43Å; I133-L238 HydrophobicContact CG1-CD2 4.47Å; I133-F242 HydrophobicContact CG1-CE2 4.3Å; I133-F242 HydrophobicContact CG1-CZ 4.14Å
134A94.6Very high94.6Very high1 Ų122.2 Ų22.21%0.00812%0.116CC..Hα-helixtrans-63.6-41.8178.900000111.9L51 L130 L131 A136 H137 C138 P139 L171L51-A134 HydrophobicContact CD2-CB 3.62Å; L130-A134 HydrophobicContact CD2-CB 4.41Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.25Å; L131-A134 PolarHBondContact O-N 2.81Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A134-H137 PolarHBondContact O-N 3.42Å; A134-C138 PolarHBondContact O-N 3.42Å; A134-P139 WeakPolarHBondContact O-CD 3.44Å; A134-L171 HydrophobicContact CB-CD1 3.64Å
135Y93.5Very high94.7Very high126 Ų12620.1 Ų20.149%0.49411%0.107SC..Hα-helixtrans-62-42.5173-85.9-84.3000111.6L131 C138 L171L131-Y135 HydrophobicContact CD2-CE2 4.42Å; L131-Y135 VanDerWaalsContact O-CD2 3.27Å; L131-Y135 WeakPolarHBondContact O-CD2 3.42Å; L131-Y135 PolarHBondContact O-N 3Å; Y135-C138 PolarHBondContact O-N 3.05Å; Y135-L171 HydrophobicContact CD1-CD2 3.61Å; Y135-L171 HydrophobicContact CD2-CD2 4.18Å; Y135-L171 HydrophobicContact CE1-CD2 3.6Å; Y135-L171 HydrophobicContact CE2-CD2 4.17Å; Y135-L171 HydrophobicContact CG-CD2 3.9Å
136A91.4Very high94.7Very high28 Ų2820.1 Ų20.123%0.23111%0.107CC..Hα-helixtrans-63.8-43178.900000113.2P132 I133 A134 C138 F237 L238 I241P132-A136 WeakPolarHBondContact O-CB 3.18Å; P132-A136 PolarHBondContact O-N 3.22Å; I133-A136 WeakPolarHBondContact O-CB 3.3Å; I133-A136 PolarHBondContact O-N 3.47Å; A134-A136 VanDerWaalsContact C-N 3.34Å; A136-C138 PolarHBondContact O-N 2.84Å; A136-F237 HydrophobicContact CB-CD2 3.84Å; A136-F237 HydrophobicContact CB-CE2 3.45Å; A136-F237 VanDerWaalsContact CB-CE2 3.45Å; A136-L238 HydrophobicContact CB-CD2 3.54Å; A136-I241 HydrophobicContact CB-CD1 3.19Å
137H91.8Very high94.6Very high18 Ų1820.5 Ų20.58%0.08311%0.109CC..Hα-helixtrans-67.1-25.2178.2-173.461.3000112.3P50 T71 L73 I133 A134P50-H137 PolarHBondContact O-NE2 2.94Å; T71-H137 PolarHBondContact O-CE1 3.17Å; T71-H137 VanDerWaalsContact O-CE1 3.3Å; L73-H137 HydrophobicContact CD2-CB 3.9Å; I133-H137 WeakPolarHBondContact O-CB 3.29Å; I133-H137 PolarHBondContact O-N 3.38Å; A134-H137 PolarHBondContact O-N 3.42Å
138C94.7Very high94.6Very high69 Ų6918 Ų1847%0.46610%0.095SC..  trans51.260.1-180-169.50000111.8R49 A134 Y135 A136R49-C138 PolarHBondContact NE-O 3.49Å; R49-C138 PolarHBondContact NH2-O 3.31Å; R49-C138 PolarHBondContact NH2-SG 2.91Å; R49-C138 VanDerWaalsContact NH2-SG 3.35Å; A134-C138 PolarHBondContact O-N 3.42Å; Y135-C138 PolarHBondContact O-N 3.05Å; A136-C138 PolarHBondContact O-N 2.84Å
139P96.8Very high94.4Very high6 Ų617.2 Ų17.24%0.0399%0.092CC..  trans-62.8149-171.925.6-34.9000112.1R49 L51 A134 I142 L171 A172R49-P139 WeakPolarHBondContact O-CA 3.34Å; R49-P139 WeakPolarHBondContact O-CB 3.47Å; L51-P139 HydrophobicContact CB-CB 3.75Å; L51-P139 HydrophobicContact CB-CG 4.21Å; L51-P139 HydrophobicContact CD2-CG 4.21Å; A134-P139 WeakPolarHBondContact O-CD 3.44Å; P139-I142 HydrophobicContact CB-CG1 4.04Å; P139-I142 HydrophobicContact CG-CD1 3.92Å; P139-I142 HydrophobicContact CG-CG1 3.83Å; P139-L171 HydrophobicContact CG-CB 4.3Å; P139-A172 VanDerWaalsContact O-CA 3.23Å; P139-A172 WeakPolarHBondContact O-CA 3.1Å; P139-A172 WeakPolarHBondContact O-CB 3.31Å
140D96.6Very high94.3Very high23 Ų2318.2 Ų18.212%0.12310%0.097CC..SBendtrans-101.2-7.6169.363.4-7.4000113.1V47 K48 R49 R175V47-D140 VanDerWaalsContact CG1-OD1 3.31Å; V47-D140 WeakPolarHBondContact CG1-OD1 3.48Å; K48-D140 WeakPolarHBondContact CA-OD2 3.14Å; K48-D140 WeakPolarHBondContact CB-OD2 3.38Å; K48-D140 PolarHBondContact N-OD2 3.34Å; R49-D140 WeakPolarHBondContact CA-OD1 3.3Å; R49-D140 PolarHBondContact N-OD1 2.85Å; R49-D140 PolarHBondContact N-OD2 2.93Å; R49-D140 PolarHBondContact O-N 3.31Å; R49-D140 VanDerWaalsContact O-N 3.15Å; D140-R175 PolarHBondContact O-NE 2.89Å; D140-R175 PolarHBondContact O-NH2 3.01Å
141L97.7Very high94.1Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-153.6140169.2177.365.9000108.7V8 M11 F42 V47 P50 L51 V143 R175V8-L141 HydrophobicContact CG1-CD2 3.79Å; V8-L141 HydrophobicContact CG2-CD2 4.16Å; M11-L141 HydrophobicContact SD-CD1 3.92Å; F42-L141 HydrophobicContact CD1-CD2 4.17Å; F42-L141 HydrophobicContact CE1-CD2 3.67Å; V47-L141 HydrophobicContact CG1-CB 3.67Å; V47-L141 HydrophobicContact CG1-CD2 3.99Å; V47-L141 HydrophobicContact CG1-CG 4.5Å; V47-L141 HydrophobicContact CG2-CD2 4.08Å; P50-L141 WeakPolarHBondContact CA-O 3.41Å; L51-L141 PolarHBondContact N-O 3.3Å; L141-V143 HydrophobicContact CD2-CG2 4.47Å; L141-V143 HydrophobicContact CG-CG2 4.47Å; L141-R175 HydrophobicContact CD1-CB 4.06Å
142I98.2Very high93.9Very high1 Ų120.8 Ų20.81%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-116.6131.9173.6-54.9177.2000109L51 P139 L168 L171 A172 R175 L176 L177L51-I142 HydrophobicContact CB-CG1 4.33Å; L51-I142 HydrophobicContact CD2-CD1 4.47Å; L51-I142 HydrophobicContact CD2-CG1 4.39Å; L51-I142 HydrophobicContact CD2-CG2 4.45Å; L51-I142 CarbonylContact O-C 3.58Å; L51-I142 WeakPolarHBondContact O-CA 3.46Å; P139-I142 HydrophobicContact CB-CG1 4.04Å; P139-I142 HydrophobicContact CG-CD1 3.92Å; P139-I142 HydrophobicContact CG-CG1 3.83Å; I142-L168 HydrophobicContact CD1-CB 4.37Å; I142-L168 HydrophobicContact CD1-CD2 4.31Å; I142-L171 HydrophobicContact CD1-CB 3.64Å; I142-L171 HydrophobicContact CD1-CD1 4.17Å; I142-A172 HydrophobicContact CD1-CB 4.29Å; I142-A172 HydrophobicContact CG1-CB 4.03Å; I142-R175 PolarHBondContact N-O 3.2Å; I142-L176 HydrophobicContact CB-CD1 3.75Å; I142-L176 HydrophobicContact CG2-CD1 3.53Å; I142-L176 WeakPolarHBondContact O-CA 3.42Å; I142-L177 PolarHBondContact O-N 3.35Å
143V98Very high93.6Very high0 Ų026.8 Ų26.80%013%0.129CC..EExtended strand (participates in β ladder)trans-117.3121.1170.4-174.80000108L34 L37 F42 L51 I52 V53 L141 L177 I179L34-V143 HydrophobicContact CD2-CG1 3.65Å; L37-V143 HydrophobicContact CD1-CG1 4.09Å; L37-V143 HydrophobicContact CD1-CG2 4.32Å; F42-V143 HydrophobicContact CE1-CG2 4.37Å; F42-V143 HydrophobicContact CZ-CG2 4.06Å; L51-V143 PolarHBondContact O-N 3.32Å; I52-V143 CarbonylContact C-O 3.47Å; I52-V143 VanDerWaalsContact CA-O 3.31Å; I52-V143 WeakPolarHBondContact CA-O 3.43Å; I52-V143 HydrophobicContact CG1-CB 4.4Å; V53-V143 PolarHBondContact N-O 3.22Å; L141-V143 HydrophobicContact CD2-CG2 4.47Å; L141-V143 HydrophobicContact CG-CG2 4.47Å; V143-L177 CarbonylContact C-O 3.59Å; V143-L177 VanDerWaalsContact CA-O 3.27Å; V143-L177 WeakPolarHBondContact CA-O 3.36Å; V143-L177 HydrophobicContact CG1-CD2 4.48Å; V143-L177 HydrophobicContact CG2-CB 4.39Å; V143-L177 HydrophobicContact CG2-CD2 4.46Å; V143-I179 HydrophobicContact CG1-CD1 4.07Å; V143-I179 HydrophobicContact CG1-CG1 4.46Å
144M97.5Very high93.4Very high1 Ų128 Ų281%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-115.5124.7-179.5-178.8171.3179.300110V53 L146 Y161 M164 V165 L168 L176 L177 I178 I179V53-M144 HydrophobicContact CB-CB 4.49Å; V53-M144 HydrophobicContact CB-CG 4.37Å; V53-M144 HydrophobicContact CG1-CG 4.46Å; V53-M144 CarbonylContact O-C 3.6Å; V53-M144 WeakPolarHBondContact O-CA 3.23Å; M144-L146 HydrophobicContact CE-CD1 4.35Å; M144-L146 HydrophobicContact CE-CD2 3.44Å; M144-L146 VanDerWaalsContact CE-CD2 3.44Å; M144-L146 HydrophobicContact CE-CG 4.25Å; M144-L146 HydrophobicContact CG-CD2 4.16Å; M144-L146 HydrophobicContact CG-CG 4.26Å; M144-Y161 HydrophobicContact CE-CD1 4.34Å; M144-M164 HydrophobicContact CE-CB 3.97Å; M144-M164 HydrophobicContact CE-CE 3.39Å; M144-M164 HydrophobicContact CE-SD 3.88Å; M144-V165 HydrophobicContact SD-CG2 4.4Å; M144-L168 HydrophobicContact SD-CD1 3.61Å; M144-L176 HydrophobicContact CB-CD1 4.13Å; M144-L177 PolarHBondContact N-O 2.68Å; M144-I178 HydrophobicContact CB-CG1 4.26Å; M144-I178 CarbonylContact O-C 3.51Å; M144-I178 VanDerWaalsContact O-CA 3.32Å; M144-I178 WeakPolarHBondContact O-CA 3.43Å; M144-I179 PolarHBondContact O-N 3.32Å
145E96.1Very high93.1Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-97.1134.4175.7170.6-81.3139.200110.4Y27 I30 M31 L34 V53 S54 S55 I179Y27-E145 HydrophobicContact CE2-CG 4.42Å; Y27-E145 WeakPolarHBondContact CE2-OE1 3.49Å; I30-E145 HydrophobicContact CG2-CB 4.37Å; I30-E145 HydrophobicContact CG2-CG 3.59Å; M31-E145 HydrophobicContact CE-CG 3.88Å; L34-E145 HydrophobicContact CD1-CB 4.06Å; L34-E145 HydrophobicContact CD1-CG 4.4Å; V53-E145 PolarHBondContact O-N 3.4Å; S54-E145 VanDerWaalsContact CA-OE2 3.29Å; S54-E145 WeakPolarHBondContact CA-OE2 3.38Å; S54-E145 WeakPolarHBondContact CB-OE2 3.45Å; S55-E145 PolarHBondContact N-OE2 3.28Å; S55-E145 PolarHBondContact OG-O 2.85Å; E145-I179 WeakPolarHBondContact CA-O 3.45Å
146L94.7Very high93Very high1 Ų124.4 Ų24.41%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-135.2153.7-179.6-61.3177.8000112M144 F148 Y161 I178 I179 A180 T181 V196M144-L146 HydrophobicContact CE-CD1 4.35Å; M144-L146 HydrophobicContact CE-CD2 3.44Å; M144-L146 VanDerWaalsContact CE-CD2 3.44Å; M144-L146 HydrophobicContact CE-CG 4.25Å; M144-L146 HydrophobicContact CG-CD2 4.16Å; M144-L146 HydrophobicContact CG-CG 4.26Å; L146-F148 HydrophobicContact CB-CD1 4.34Å; L146-F148 HydrophobicContact CB-CE1 4.01Å; L146-F148 HydrophobicContact CD1-CE1 3.89Å; L146-Y161 HydrophobicContact CD1-CD1 4.28Å; L146-Y161 HydrophobicContact CD1-CG 4.42Å; L146-Y161 HydrophobicContact CD2-CD1 3.75Å; L146-Y161 HydrophobicContact CD2-CE1 3.4Å; L146-I178 HydrophobicContact CD1-CG2 3.77Å; L146-I178 HydrophobicContact CG-CG2 4.28Å; L146-I179 PolarHBondContact N-O 3.38Å; L146-A180 HydrophobicContact CB-CB 4.04Å; L146-A180 CarbonylContact O-C 3.54Å; L146-A180 VanDerWaalsContact O-CA 3.23Å; L146-A180 WeakPolarHBondContact O-CA 3.32Å; L146-T181 PolarHBondContact O-N 2.89Å; L146-V196 HydrophobicContact CD1-CG2 3.86Å
147D92.9Very high93Very high9 Ų927.6 Ų27.65%0.04815%0.145CC..EExtended strand (participates in β ladder)trans-13098.5174.1-174.9-27.6000109.8R56 I80 H149 D150 S151 T181R56-D147 IonicContact CZ-OD2 2.61Å; R56-D147 IonicContact NH1-OD2 2.85Å; R56-D147 PolarHBondContact NH1-OD2 3.4Å; I80-D147 HydrophobicContact CD1-CB 3.82Å; D147-H149 VanDerWaalsContact C-N 3.29Å; D147-H149 PolarHBondContact O-N 3.48Å; D147-H149 WeakPolarHBondContact OD1-CB 3.49Å; D147-H149 PolarHBondContact OD1-N 3.23Å; D147-D150 PolarHBondContact OD1-N 3.43Å; D147-S151 VanDerWaalsContact O-CB 3.22Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 2.89Å; D147-S151 VanDerWaalsContact O-N 3.08Å; D147-S151 PolarHBondContact O-OG 3.17Å; D147-T181 HydrophobicContact CB-CG2 3.66Å; D147-T181 WeakPolarHBondContact OD1-CG2 3.46Å
148F92.4Very high93Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-69.9-27.8-175.6-63-21.9000112.7A22 L146 F152 Y161 A180 T181 A182 Y192 L193 V196A22-F148 HydrophobicContact CB-CE2 4.45Å; L146-F148 HydrophobicContact CB-CD1 4.34Å; L146-F148 HydrophobicContact CB-CE1 4.01Å; L146-F148 HydrophobicContact CD1-CE1 3.89Å; F148-F152 PolarHBondContact O-N 3.06Å; F148-Y161 HydrophobicContact CD1-CE2 4.47Å; F148-A180 HydrophobicContact CD1-CB 4.38Å; F148-A180 HydrophobicContact CD2-CB 4.17Å; F148-A180 HydrophobicContact CE1-CB 3.9Å; F148-A180 HydrophobicContact CE2-CB 3.66Å; F148-A180 HydrophobicContact CZ-CB 3.52Å; F148-T181 WeakPolarHBondContact CB-O 3.5Å; F148-T181 PolarHBondContact N-O 2.99Å; F148-A182 HydrophobicContact CD2-CB 4.26Å; F148-Y192 HydrophobicContact CB-CG 4.2Å; F148-Y192 HydrophobicContact CD1-CD1 4.05Å; F148-Y192 HydrophobicContact CD1-CG 4.11Å; F148-Y192 HydrophobicContact CG-CG 4.19Å; F148-L193 HydrophobicContact CE2-CB 4.4Å; F148-L193 HydrophobicContact CE2-CD1 4.39Å; F148-V196 HydrophobicContact CE1-CG2 4.37Å; F148-V196 HydrophobicContact CZ-CG2 4.26Å
149H89.1Confident92.9Very high35 Ų3524.7 Ų24.716%0.16213%0.127CC..Hα-helixtrans-67.1-60.9178.2-175.380.1000110.5D147 S151 F152 Y153 K183 D184 A185D147-H149 VanDerWaalsContact C-N 3.29Å; D147-H149 PolarHBondContact O-N 3.48Å; D147-H149 WeakPolarHBondContact OD1-CB 3.49Å; D147-H149 PolarHBondContact OD1-N 3.23Å; H149-S151 PolarHBondContact O-N 2.88Å; H149-F152 WeakPolarHBondContact O-CB 3.37Å; H149-F152 PolarHBondContact O-N 2.87Å; H149-Y153 AromaticContact CD2-CD2 3.84Å; H149-Y153 AromaticContact CD2-CE2 3.81Å; H149-Y153 AromaticContact CE1-CD2 3.96Å; H149-Y153 AromaticContact CE1-CE2 3.15Å; H149-Y153 WeakPolarHBondContact CE1-CE2 3.13Å; H149-Y153 AromaticContact CE1-CZ 3.91Å; H149-Y153 AromaticContact CG-CE2 3.98Å; H149-Y153 AromaticContact ND1-CE2 3.56Å; H149-Y153 AromaticContact NE2-CD2 3.7Å; H149-Y153 AromaticContact NE2-CE2 3.27Å; H149-Y153 VanDerWaalsContact NE2-CE2 3.27Å; H149-Y153 WeakPolarHBondContact NE2-CE2 3.25Å; H149-Y153 VanDerWaalsContact O-CD2 3.24Å; H149-Y153 WeakPolarHBondContact O-CD2 3.48Å; H149-Y153 PolarHBondContact O-N 2.79Å; H149-K183 WeakPolarHBondContact CB-O 3.44Å; H149-K183 PolarHBondContact ND1-O 3.14Å; H149-K183 VanDerWaalsContact ND1-O 3.12Å; H149-D184 WeakPolarHBondContact CE1-CB 3.25Å; H149-D184 PolarHBondContact CE1-O 2.83Å; H149-D184 WeakPolarHBondContact ND1-CB 3.31Å; H149-D184 PolarHBondContact ND1-O 2.81Å; H149-A185 HydrophobicContact CB-CB 3.96Å; H149-A185 PolarHBondContact ND1-N 2.83Å
150D89.9Confident92.7Very high22 Ų2224.6 Ų24.612%0.11813%0.127CC..Hα-helixtrans-68.6-27.8-176.3-81-0.7000111.5R56 I80 D147 F152 Y153 L154R56-D150 IonicContact CZ-OD2 3.32Å; R56-D150 IonicContact NH1-OD2 3.89Å; R56-D150 PolarHBondContact NH1-OD2 2.9Å; R56-D150 IonicContact NH2-OD2 2.63Å; R56-D150 PolarHBondContact NH2-OD2 3.25Å; I80-D150 HydrophobicContact CG2-CB 3.55Å; D147-D150 PolarHBondContact OD1-N 3.43Å; D150-F152 VanDerWaalsContact C-N 3.29Å; D150-F152 PolarHBondContact O-N 2.82Å; D150-Y153 PolarHBondContact O-N 3.43Å; D150-L154 HydrophobicContact CB-CD1 4.4Å; D150-L154 WeakPolarHBondContact O-CB 3.08Å; D150-L154 WeakPolarHBondContact O-CD1 3.29Å; D150-L154 WeakPolarHBondContact O-CG 3.23Å; D150-L154 PolarHBondContact O-N 3.06Å
151S90.8Very high92.6Very high0 Ų023.6 Ų23.60%012%0.121CC..Hα-helixtrans-55.4-45.8169.1-63.50000112.4D147 H149 L154 G155 I156 Y161 Y192D147-S151 VanDerWaalsContact O-CB 3.22Å; D147-S151 WeakPolarHBondContact O-CB 3.48Å; D147-S151 PolarHBondContact O-N 2.89Å; D147-S151 VanDerWaalsContact O-N 3.08Å; D147-S151 PolarHBondContact O-OG 3.17Å; H149-S151 PolarHBondContact O-N 2.88Å; S151-L154 PolarHBondContact O-N 3.12Å; S151-G155 PolarHBondContact O-N 3.47Å; S151-G155 VanDerWaalsContact O-N 3.1Å; S151-I156 PolarHBondContact O-N 2.94Å; S151-Y161 PolarHBondContact OG-OH 3Å; S151-Y192 PolarHBondContact O-OH 2.63Å
152F89.1Confident92.4Very high71 Ų7123.9 Ų23.931%0.31112%0.123SC..Hα-helixtrans-63.5-48178.2171.2-105.9000111.5F148 H149 D150 L154 G155 C187 K188 Y192F148-F152 PolarHBondContact O-N 3.06Å; H149-F152 WeakPolarHBondContact O-CB 3.37Å; H149-F152 PolarHBondContact O-N 2.87Å; D150-F152 VanDerWaalsContact C-N 3.29Å; D150-F152 PolarHBondContact O-N 2.82Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 3.36Å; F152-G155 PolarHBondContact O-N 3.45Å; F152-C187 HydrophobicContact CE1-CB 4.32Å; F152-C187 HydrophobicContact CZ-CB 4.19Å; F152-K188 HydrophobicContact CD2-CB 4.48Å; F152-K188 HydrophobicContact CD2-CD 3.9Å; F152-K188 HydrophobicContact CE2-CD 3.74Å; F152-K188 HydrophobicContact CE2-CG 4.4Å; F152-Y192 VanDerWaalsContact CA-OH 3.25Å; F152-Y192 WeakPolarHBondContact CA-OH 3.47Å; F152-Y192 HydrophobicContact CB-CE2 3.94Å; F152-Y192 PolarHBondContact N-OH 3.32Å; F152-Y192 VanDerWaalsContact N-OH 3.16Å
153Y87Confident92.1Very high148 Ų14825.9 Ų25.958%0.5813%0.132SC*.Hα-helixtrans-66.4-29.7179.2-75-80.5000113.6H149 D150 G155H149-Y153 AromaticContact CD2-CD2 3.84Å; H149-Y153 AromaticContact CD2-CE2 3.81Å; H149-Y153 AromaticContact CE1-CD2 3.96Å; H149-Y153 AromaticContact CE1-CE2 3.15Å; H149-Y153 WeakPolarHBondContact CE1-CE2 3.13Å; H149-Y153 AromaticContact CE1-CZ 3.91Å; H149-Y153 AromaticContact CG-CE2 3.98Å; H149-Y153 AromaticContact ND1-CE2 3.56Å; H149-Y153 AromaticContact NE2-CD2 3.7Å; H149-Y153 AromaticContact NE2-CE2 3.27Å; H149-Y153 VanDerWaalsContact NE2-CE2 3.27Å; H149-Y153 WeakPolarHBondContact NE2-CE2 3.25Å; H149-Y153 VanDerWaalsContact O-CD2 3.24Å; H149-Y153 WeakPolarHBondContact O-CD2 3.48Å; H149-Y153 PolarHBondContact O-N 2.79Å; D150-Y153 PolarHBondContact O-N 3.43Å; Y153-G155 VanDerWaalsContact C-N 3.33Å
154L88.3Confident92Very high30 Ų3026 Ų2616%0.15713%0.132CC..THydrogen-bonded Turntrans-87.8-1.2178.1-65.2169.3000113.4I80 P81 D150 S151 F152 I156I80-L154 HydrophobicContact CB-CD1 4.12Å; I80-L154 HydrophobicContact CG1-CD1 4.1Å; I80-L154 HydrophobicContact CG2-CD1 3.78Å; P81-L154 HydrophobicContact CG-CD1 4.43Å; P81-L154 HydrophobicContact CG-CD2 4.43Å; D150-L154 HydrophobicContact CB-CD1 4.4Å; D150-L154 WeakPolarHBondContact O-CB 3.08Å; D150-L154 WeakPolarHBondContact O-CD1 3.29Å; D150-L154 WeakPolarHBondContact O-CG 3.23Å; D150-L154 PolarHBondContact O-N 3.06Å; S151-L154 PolarHBondContact O-N 3.12Å; F152-L154 VanDerWaalsContact C-N 3.29Å; F152-L154 PolarHBondContact O-N 3.36Å; L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 HydrophobicContact CB-CG1 4.23Å; L154-I156 PolarHBondContact O-N 2.9Å
155G88.3Confident92Very high46 Ų4626 Ų2647%0.47413%0.132SC..THydrogen-bonded Turntrans69.226.4179.300000114S151 F152 Y153 Q157S151-G155 PolarHBondContact O-N 3.47Å; S151-G155 VanDerWaalsContact O-N 3.1Å; F152-G155 PolarHBondContact O-N 3.45Å; Y153-G155 VanDerWaalsContact C-N 3.33Å; G155-Q157 PolarHBondContact O-N 3.21Å
156I91.5Very high91.9Very high4 Ų428.2 Ų28.22%0.02115%0.148CC..  trans-69.6118.2174.2-60.1-176.1000108.2I80 S151 L154 L160 Y161 Y192I80-I156 HydrophobicContact CD1-CD1 4.31Å; I80-I156 HydrophobicContact CG1-CD1 3.79Å; S151-I156 PolarHBondContact O-N 2.94Å; L154-I156 VanDerWaalsContact C-N 3.32Å; L154-I156 HydrophobicContact CB-CG1 4.23Å; L154-I156 PolarHBondContact O-N 2.9Å; I156-L160 HydrophobicContact CG2-CB 4.46Å; I156-L160 HydrophobicContact CG2-CD2 3.79Å; I156-Y161 HydrophobicContact CG2-CE2 4.34Å; I156-Y192 PolarHBondContact O-OH 2.86Å
157Q91.3Very high91.9Very high95 Ų9530.2 Ų30.244%0.44416%0.158SC..  trans-69.1135.3-178.5-65.1-62.7-40.900110.9G155 S159 L160G155-Q157 PolarHBondContact O-N 3.21Å; Q157-S159 WeakPolarHBondContact CB-OG 3.44Å; Q157-S159 PolarHBondContact O-N 2.82Å; Q157-S159 VanDerWaalsContact O-N 3.12Å; Q157-L160 VanDerWaalsContact O-CB 3.26Å; Q157-L160 WeakPolarHBondContact O-CB 3.49Å; Q157-L160 PolarHBondContact O-N 2.83Å
158P92.5Very high92.1Very high11 Ų1129.8 Ų29.87%0.07116%0.156CC..Hα-helixtrans-55.8-30175.4-28.537000113.3L160 Y161 S162 E191 Y192 S195P158-L160 PolarHBondContact O-N 2.89Å; P158-Y161 PolarHBondContact O-N 3.32Å; P158-S162 PolarHBondContact O-N 3.09Å; P158-S162 VanDerWaalsContact O-N 3.1Å; P158-E191 HydrophobicContact CB-CG 4.23Å; P158-E191 HydrophobicContact CG-CB 4.42Å; P158-E191 HydrophobicContact CG-CG 3.85Å; P158-Y192 HydrophobicContact CB-CD1 4.35Å; P158-Y192 HydrophobicContact CB-CE1 4.47Å; P158-Y192 HydrophobicContact CG-CD1 4.13Å; P158-Y192 HydrophobicContact CG-CD2 4.33Å; P158-Y192 HydrophobicContact CG-CE1 3.94Å; P158-Y192 HydrophobicContact CG-CE2 4.16Å; P158-Y192 HydrophobicContact CG-CG 4.31Å; P158-S195 WeakPolarHBondContact O-CB 3.27Å; P158-S195 PolarHBondContact O-OG 3.2Å
159S91.7Very high92.3Very high16 Ų1631.3 Ų31.311%0.11216%0.164CC..Hα-helixtrans-57.4-28.7173.752.60000113.6Q157 S162 F163 V211Q157-S159 WeakPolarHBondContact CB-OG 3.44Å; Q157-S159 PolarHBondContact O-N 2.82Å; Q157-S159 VanDerWaalsContact O-N 3.12Å; S159-S162 PolarHBondContact O-N 2.94Å; S159-F163 WeakPolarHBondContact O-CB 3.3Å; S159-F163 PolarHBondContact O-N 2.82Å; S159-V211 WeakPolarHBondContact OG-CG2 3.21Å
160L92.7Very high92.6Very high4 Ų433 Ų332%0.02118%0.183CC..Hα-helixtrans-62.4-44.6172.6-17965.4000110.9R122 L123 I156 Q157 P158 F163 M164R122-L160 HydrophobicContact CB-CD2 3.89Å; L123-L160 HydrophobicContact CB-CD1 4.46Å; L123-L160 HydrophobicContact CD1-CD1 4.36Å; I156-L160 HydrophobicContact CG2-CB 4.46Å; I156-L160 HydrophobicContact CG2-CD2 3.79Å; Q157-L160 VanDerWaalsContact O-CB 3.26Å; Q157-L160 WeakPolarHBondContact O-CB 3.49Å; Q157-L160 PolarHBondContact O-N 2.83Å; P158-L160 PolarHBondContact O-N 2.89Å; L160-F163 WeakPolarHBondContact O-CB 3.26Å; L160-F163 PolarHBondContact O-N 3.19Å; L160-M164 HydrophobicContact CD1-CG 4.42Å; L160-M164 HydrophobicContact CG-CG 4.42Å; L160-M164 HydrophobicContact CG-SD 4.06Å; L160-M164 VanDerWaalsContact O-CG 3.25Å; L160-M164 WeakPolarHBondContact O-CG 3.47Å; L160-M164 PolarHBondContact O-N 2.99Å
161Y94.4Very high92.9Very high1 Ų132.6 Ų32.60%0.00418%0.181CC..Hα-helixtrans-67.6-38.9177.5-65.9-41.7000112.3M144 L146 F148 S151 I156 P158 F163 M164 V165 Y192M144-Y161 HydrophobicContact CE-CD1 4.34Å; L146-Y161 HydrophobicContact CD1-CD1 4.28Å; L146-Y161 HydrophobicContact CD1-CG 4.42Å; L146-Y161 HydrophobicContact CD2-CD1 3.75Å; L146-Y161 HydrophobicContact CD2-CE1 3.4Å; F148-Y161 HydrophobicContact CD1-CE2 4.47Å; S151-Y161 PolarHBondContact OG-OH 3Å; I156-Y161 HydrophobicContact CG2-CE2 4.34Å; P158-Y161 PolarHBondContact O-N 3.32Å; Y161-F163 VanDerWaalsContact C-N 3.28Å; Y161-F163 PolarHBondContact O-N 3.12Å; Y161-M164 HydrophobicContact CD1-SD 4.07Å; Y161-M164 HydrophobicContact CE1-SD 4.41Å; Y161-M164 PolarHBondContact O-N 3.32Å; Y161-V165 WeakPolarHBondContact O-CB 3.41Å; Y161-V165 VanDerWaalsContact O-CG2 3.24Å; Y161-V165 WeakPolarHBondContact O-CG2 3.43Å; Y161-V165 PolarHBondContact O-N 3.1Å; Y161-Y192 AromaticContact CD2-CD1 3.61Å; Y161-Y192 HydrophobicContact CD2-CD1 3.61Å; Y161-Y192 AromaticContact CD2-CE1 3.93Å; Y161-Y192 HydrophobicContact CD2-CE1 3.93Å; Y161-Y192 AromaticContact CE2-CD1 3.55Å; Y161-Y192 HydrophobicContact CE2-CD1 3.55Å; Y161-Y192 AromaticContact CE2-CE1 3.6Å; Y161-Y192 HydrophobicContact CE2-CE1 3.6Å
162S94.2Very high93.2Very high6 Ų633 Ų334%0.04219%0.185CC..Hα-helixtrans-58.4-44.1173.3-164.50000111.9P158 S159 S166 S195P158-S162 PolarHBondContact O-N 3.09Å; P158-S162 VanDerWaalsContact O-N 3.1Å; S159-S162 PolarHBondContact O-N 2.94Å; S162-S166 VanDerWaalsContact O-CB 3.32Å; S162-S166 WeakPolarHBondContact O-CB 3.06Å; S162-S166 PolarHBondContact O-N 3.12Å; S162-S166 PolarHBondContact O-OG 2.83Å; S162-S195 WeakPolarHBondContact CA-O 3.39Å; S162-S195 VanDerWaalsContact CB-O 3.3Å; S162-S195 WeakPolarHBondContact CB-O 3.5Å; S162-S195 PolarHBondContact OG-O 2.92Å
163F93Very high93.5Very high43 Ų4334 Ų3419%0.18920%0.201CC..Hα-helixtrans-63.1-47.9175.5-178.2-97.6000112.3L123 F126 N127 S159 L160 Y161 S166 N167 V207L123-F163 HydrophobicContact CD1-CD1 3.47Å; L123-F163 VanDerWaalsContact CD1-CD1 3.47Å; L123-F163 HydrophobicContact CD1-CE1 3.31Å; L123-F163 HydrophobicContact CD1-CG 4.27Å; L123-F163 HydrophobicContact CD1-CZ 4Å; F126-F163 AromaticContact CD1-CD1 3.99Å; F126-F163 HydrophobicContact CD1-CD1 3.99Å; F126-F163 AromaticContact CD1-CE1 3.66Å; F126-F163 HydrophobicContact CD1-CE1 3.66Å; F126-F163 AromaticContact CE1-CD1 3.93Å; F126-F163 HydrophobicContact CE1-CD1 3.93Å; F126-F163 AromaticContact CE1-CE1 3.71Å; F126-F163 HydrophobicContact CE1-CE1 3.71Å; N127-F163 WeakPolarHBondContact OD1-CE1 3.29Å; S159-F163 WeakPolarHBondContact O-CB 3.3Å; S159-F163 PolarHBondContact O-N 2.82Å; L160-F163 WeakPolarHBondContact O-CB 3.26Å; L160-F163 PolarHBondContact O-N 3.19Å; Y161-F163 VanDerWaalsContact C-N 3.28Å; Y161-F163 PolarHBondContact O-N 3.12Å; F163-S166 PolarHBondContact O-N 3.1Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.18Å; F163-N167 VanDerWaalsContact CZ-ND2 3.33Å; F163-N167 WeakPolarHBondContact CZ-ND2 3.38Å; F163-N167 PolarHBondContact O-N 3.22Å; F163-N167 VanDerWaalsContact O-N 3.12Å; F163-N167 PolarHBondContact O-ND2 2.96Å; F163-V207 HydrophobicContact CD2-CG1 4.42Å; F163-V207 HydrophobicContact CD2-CG2 4.13Å
164M95.3Very high93.9Very high3 Ų327.2 Ų27.22%0.01518%0.175CC..Hα-helixtrans-61-49.8179.9-70174.876.600111.5F79 F126 M144 L160 Y161 S166 N167 L168F79-M164 HydrophobicContact CE2-CE 4Å; F79-M164 HydrophobicContact CE2-SD 4.25Å; F126-M164 HydrophobicContact CD1-CG 4.29Å; F126-M164 HydrophobicContact CD2-CB 4.45Å; F126-M164 HydrophobicContact CD2-CE 3.72Å; F126-M164 HydrophobicContact CD2-CG 3.73Å; F126-M164 HydrophobicContact CD2-SD 4.39Å; F126-M164 HydrophobicContact CE1-CB 4.47Å; F126-M164 HydrophobicContact CE1-CG 4.21Å; F126-M164 HydrophobicContact CE2-CB 3.87Å; F126-M164 HydrophobicContact CE2-CE 3.89Å; F126-M164 HydrophobicContact CE2-CG 3.66Å; F126-M164 HydrophobicContact CG-CG 4.05Å; F126-M164 VanDerWaalsContact CZ-CA 3.5Å; F126-M164 HydrophobicContact CZ-CB 3.89Å; F126-M164 HydrophobicContact CZ-CG 3.91Å; M144-M164 HydrophobicContact CE-CB 3.97Å; M144-M164 HydrophobicContact CE-CE 3.39Å; M144-M164 HydrophobicContact CE-SD 3.88Å; L160-M164 HydrophobicContact CD1-CG 4.42Å; L160-M164 HydrophobicContact CG-CG 4.42Å; L160-M164 HydrophobicContact CG-SD 4.06Å; L160-M164 VanDerWaalsContact O-CG 3.25Å; L160-M164 WeakPolarHBondContact O-CG 3.47Å; L160-M164 PolarHBondContact O-N 2.99Å; Y161-M164 HydrophobicContact CD1-SD 4.07Å; Y161-M164 HydrophobicContact CE1-SD 4.41Å; Y161-M164 PolarHBondContact O-N 3.32Å; M164-S166 PolarHBondContact O-N 2.87Å; M164-N167 PolarHBondContact O-N 3.26Å; M164-L168 WeakPolarHBondContact O-CB 3.31Å; M164-L168 VanDerWaalsContact O-CG 3.28Å; M164-L168 WeakPolarHBondContact O-CG 3.42Å; M164-L168 PolarHBondContact O-N 3.46Å
165V96.1Very high94.3Very high0 Ų027.5 Ų27.50%017%0.174CC..Hα-helixtrans-62.5-43.7-179.4173.60000110.8M144 Y161 N167 L168 M169 L176 I178 V196 P199 L200M144-V165 HydrophobicContact SD-CG2 4.4Å; Y161-V165 WeakPolarHBondContact O-CB 3.41Å; Y161-V165 VanDerWaalsContact O-CG2 3.24Å; Y161-V165 WeakPolarHBondContact O-CG2 3.43Å; Y161-V165 PolarHBondContact O-N 3.1Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 2.62Å; V165-L168 PolarHBondContact O-N 3.38Å; V165-M169 HydrophobicContact CG1-CG 4.24Å; V165-M169 WeakPolarHBondContact O-CB 3.32Å; V165-M169 VanDerWaalsContact O-CG 3.23Å; V165-M169 WeakPolarHBondContact O-CG 3.27Å; V165-M169 PolarHBondContact O-N 3.2Å; V165-L176 HydrophobicContact CG1-CD2 3.89Å; V165-I178 HydrophobicContact CG1-CD1 4.2Å; V165-I178 HydrophobicContact CG2-CD1 3.64Å; V165-V196 HydrophobicContact CG2-CG1 4.36Å; V165-V196 HydrophobicContact CG2-CG2 4.28Å; V165-P199 HydrophobicContact CB-CB 4.42Å; V165-P199 HydrophobicContact CB-CG 3.83Å; V165-P199 HydrophobicContact CG1-CB 4.02Å; V165-P199 HydrophobicContact CG1-CG 3.6Å; V165-L200 HydrophobicContact CG1-CD2 3.68Å; V165-L200 HydrophobicContact CG1-CG 3.94Å
166S94.9Very high94.8Very high47 Ų4725.3 Ų25.333%0.32915%0.152SC..Hα-helixtrans-58.3-45177.6-59.10000112.2S162 F163 M164 P199S162-S166 VanDerWaalsContact O-CB 3.32Å; S162-S166 WeakPolarHBondContact O-CB 3.06Å; S162-S166 PolarHBondContact O-N 3.12Å; S162-S166 PolarHBondContact O-OG 2.83Å; F163-S166 PolarHBondContact O-N 3.1Å; M164-S166 PolarHBondContact O-N 2.87Å; S166-P199 VanDerWaalsContact OG-CB 3.23Å; S166-P199 WeakPolarHBondContact OG-CB 3.43Å
167N95.6Very high95.1Very high43 Ų4325.1 Ų25.123%0.2315%0.151CC..Hα-helixtrans-71.3-38.2179.4-78.1-85.2000112.4F126 L131 F163 M164 V165 M169 A170F126-N167 HydrophobicContact CE1-CB 3.96Å; F126-N167 HydrophobicContact CZ-CB 4.05Å; L131-N167 HydrophobicContact CD1-CB 4.11Å; L131-N167 HydrophobicContact CD2-CB 3.97Å; F163-N167 WeakPolarHBondContact CE2-ND2 3.18Å; F163-N167 VanDerWaalsContact CZ-ND2 3.33Å; F163-N167 WeakPolarHBondContact CZ-ND2 3.38Å; F163-N167 PolarHBondContact O-N 3.22Å; F163-N167 VanDerWaalsContact O-N 3.12Å; F163-N167 PolarHBondContact O-ND2 2.96Å; M164-N167 PolarHBondContact O-N 3.26Å; V165-N167 VanDerWaalsContact C-N 3.34Å; V165-N167 PolarHBondContact O-N 2.62Å; N167-M169 VanDerWaalsContact C-N 3.33Å; N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.25Å
168L96.7Very high95.3Very high0 Ų020.6 Ų20.60%013%0.13CC..Hα-helixtrans-70.3-29.3177.7-68.8175.3000112.6F126 L130 L131 I142 M144 M164 V165 A170 L171 L176F126-L168 HydrophobicContact CE2-CG 4.37Å; F126-L168 HydrophobicContact CZ-CG 4.28Å; L130-L168 HydrophobicContact CD2-CD2 4.08Å; L131-L168 HydrophobicContact CD2-CD2 4.35Å; I142-L168 HydrophobicContact CD1-CB 4.37Å; I142-L168 HydrophobicContact CD1-CD2 4.31Å; M144-L168 HydrophobicContact SD-CD1 3.61Å; M164-L168 WeakPolarHBondContact O-CB 3.31Å; M164-L168 VanDerWaalsContact O-CG 3.28Å; M164-L168 WeakPolarHBondContact O-CG 3.42Å; M164-L168 PolarHBondContact O-N 3.46Å; V165-L168 PolarHBondContact O-N 3.38Å; L168-A170 PolarHBondContact O-N 3.08Å; L168-L171 HydrophobicContact CD2-CD1 4.23Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 2.87Å; L168-L176 HydrophobicContact CB-CD2 4.2Å
169M95.2Very high95.5Very high33 Ų3320.1 Ų20.116%0.16313%0.127CC..THydrogen-bonded Turntrans-63.7-20.4174.1-79-67-69.600113.4L17 V165 N167 L171 G174 L176 L200L17-M169 HydrophobicContact CD2-CE 3.96Å; L17-M169 HydrophobicContact CG-CE 4.41Å; V165-M169 HydrophobicContact CG1-CG 4.24Å; V165-M169 WeakPolarHBondContact O-CB 3.32Å; V165-M169 VanDerWaalsContact O-CG 3.23Å; V165-M169 WeakPolarHBondContact O-CG 3.27Å; V165-M169 PolarHBondContact O-N 3.2Å; N167-M169 VanDerWaalsContact C-N 3.33Å; M169-L171 PolarHBondContact O-N 2.82Å; M169-G174 VanDerWaalsContact O-CA 3.27Å; M169-G174 WeakPolarHBondContact O-CA 3.43Å; M169-G174 PolarHBondContact O-N 3.31Å; M169-G174 VanDerWaalsContact SD-O 3.37Å; M169-L176 HydrophobicContact CG-CD2 4.03Å; M169-L176 HydrophobicContact SD-CB 3.78Å; M169-L176 HydrophobicContact SD-CD2 4.03Å; M169-L200 HydrophobicContact CE-CD2 4.27Å; M169-L200 HydrophobicContact CG-CD2 3.93Å; M169-L200 HydrophobicContact SD-CD2 3.45Å; M169-L200 WeakPolarHBondContact SD-CD2 3.31Å
170A95.1Very high95.6Very high69 Ų6919.4 Ų19.457%0.5712%0.122SC*.THydrogen-bonded Turntrans-72-18.7173.300000113N167 L168N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.25Å; L168-A170 PolarHBondContact O-N 3.08Å
171L96.9Very high95.6Very high14 Ų1419.4 Ų19.47%0.07312%0.122CC..SBendtrans-95.7167.8179-62.4170.7000110.9A134 Y135 P139 I142 L168 M169 S173 G174A134-L171 HydrophobicContact CB-CD1 3.64Å; Y135-L171 HydrophobicContact CD1-CD2 3.61Å; Y135-L171 HydrophobicContact CD2-CD2 4.18Å; Y135-L171 HydrophobicContact CE1-CD2 3.6Å; Y135-L171 HydrophobicContact CE2-CD2 4.17Å; Y135-L171 HydrophobicContact CG-CD2 3.9Å; P139-L171 HydrophobicContact CG-CB 4.3Å; I142-L171 HydrophobicContact CD1-CB 3.64Å; I142-L171 HydrophobicContact CD1-CD1 4.17Å; L168-L171 HydrophobicContact CD2-CD1 4.23Å; L168-L171 WeakPolarHBondContact O-CB 3.4Å; L168-L171 PolarHBondContact O-N 2.87Å; M169-L171 PolarHBondContact O-N 2.82Å; L171-S173 PolarHBondContact O-N 2.99Å; L171-G174 PolarHBondContact O-N 3.4Å
172A96.9Very high95.2Very high10 Ų1020.2 Ų20.28%0.08313%0.129CC..G310 helixtrans50.625.5176.800000115.1P139 I142 G174 R175P139-A172 VanDerWaalsContact O-CA 3.23Å; P139-A172 WeakPolarHBondContact O-CA 3.1Å; P139-A172 WeakPolarHBondContact O-CB 3.31Å; I142-A172 HydrophobicContact CD1-CB 4.29Å; I142-A172 HydrophobicContact CG1-CB 4.03Å; A172-G174 PolarHBondContact O-N 2.96Å; A172-R175 HydrophobicContact CB-CB 4.24Å; A172-R175 VanDerWaalsContact O-CB 3.31Å; A172-R175 WeakPolarHBondContact O-CB 3.49Å; A172-R175 WeakPolarHBondContact O-CG 3.42Å; A172-R175 PolarHBondContact O-N 2.95Å; A172-R175 VanDerWaalsContact O-N 3.09Å; A172-R175 PolarHBondContact O-NE 3.3Å; A172-R175 PolarHBondContact O-NH1 2.86Å; A172-R175 VanDerWaalsContact O-NH1 3.13Å; A172-R175 PolarHBondContact O-NH2 3.29Å
173S95.6Very high94.7Very high91 Ų9124.1 Ų24.164%0.63615%0.145SC*.G310 helixtrans51.939.7-170.4-32.30000112.9L17 L171 R175L17-S173 WeakPolarHBondContact CD1-O 3.08Å; L171-S173 PolarHBondContact O-N 2.99Å; S173-R175 VanDerWaalsContact C-N 3.28Å; S173-R175 VanDerWaalsContact CB-NH1 3.35Å; S173-R175 PolarHBondContact O-N 3.35Å; S173-R175 PolarHBondContact OG-NH1 3.22Å
174G95.6Very high93.9Very high5 Ų527.2 Ų27.25%0.05216%0.163CC..G310 helixtrans77.44.9-178.200000115.2M169 L171 A172 L176M169-G174 VanDerWaalsContact O-CA 3.27Å; M169-G174 WeakPolarHBondContact O-CA 3.43Å; M169-G174 PolarHBondContact O-N 3.31Å; M169-G174 VanDerWaalsContact SD-O 3.37Å; L171-G174 PolarHBondContact O-N 3.4Å; A172-G174 PolarHBondContact O-N 2.96Å; G174-L176 PolarHBondContact O-N 3.2Å
175R97.2Very high92.7Very high36 Ų3627.5 Ų27.514%0.13617%0.166CC..  trans-74.286.6178.5-66.8-174.1-61.2-74.9-5.8111.7L17 D140 L141 I142 A172 S173L17-R175 VanDerWaalsContact O-CA 3.28Å; L17-R175 WeakPolarHBondContact O-CA 3.11Å; D140-R175 PolarHBondContact O-NE 2.89Å; D140-R175 PolarHBondContact O-NH2 3.01Å; L141-R175 HydrophobicContact CD1-CB 4.06Å; I142-R175 PolarHBondContact N-O 3.2Å; A172-R175 HydrophobicContact CB-CB 4.24Å; A172-R175 VanDerWaalsContact O-CB 3.31Å; A172-R175 WeakPolarHBondContact O-CB 3.49Å; A172-R175 WeakPolarHBondContact O-CG 3.42Å; A172-R175 PolarHBondContact O-N 2.95Å; A172-R175 VanDerWaalsContact O-N 3.09Å; A172-R175 PolarHBondContact O-NE 3.3Å; A172-R175 PolarHBondContact O-NH1 2.86Å; A172-R175 VanDerWaalsContact O-NH1 3.13Å; A172-R175 PolarHBondContact O-NH2 3.29Å; S173-R175 VanDerWaalsContact C-N 3.28Å; S173-R175 VanDerWaalsContact CB-NH1 3.35Å; S173-R175 PolarHBondContact O-N 3.35Å; S173-R175 PolarHBondContact OG-NH1 3.22Å
176L97.7Very high91.5Very high0 Ų032.4 Ų32.40%021%0.207CC..EExtended strand (participates in β ladder)trans-125.3119.6-177.917959.3000111.3M11 S18 G19 I142 M144 V165 L168 M169 G174 I178 L200M11-L176 WeakPolarHBondContact CE-O 3.29Å; S18-L176 CarbonylContact C-O 3.54Å; S18-L176 WeakPolarHBondContact CA-O 3.37Å; S18-L176 VanDerWaalsContact CB-O 3.3Å; S18-L176 WeakPolarHBondContact CB-O 3.46Å; G19-L176 PolarHBondContact N-O 3.5Å; I142-L176 HydrophobicContact CB-CD1 3.75Å; I142-L176 HydrophobicContact CG2-CD1 3.53Å; I142-L176 WeakPolarHBondContact O-CA 3.42Å; M144-L176 HydrophobicContact CB-CD1 4.13Å; V165-L176 HydrophobicContact CG1-CD2 3.89Å; L168-L176 HydrophobicContact CB-CD2 4.2Å; M169-L176 HydrophobicContact CG-CD2 4.03Å; M169-L176 HydrophobicContact SD-CB 3.78Å; M169-L176 HydrophobicContact SD-CD2 4.03Å; G174-L176 PolarHBondContact O-N 3.2Å; L176-I178 HydrophobicContact CD1-CG1 4.32Å; L176-I178 HydrophobicContact CD2-CD1 4.13Å; L176-I178 HydrophobicContact CD2-CG1 4.39Å; L176-I178 HydrophobicContact CG-CD1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.05Å; L176-L200 HydrophobicContact CD2-CD2 4.01Å; L176-L200 HydrophobicContact CG-CD2 4.48Å
177L97.6Very high90.4Very high0 Ų033.9 Ų33.90%022%0.217CC..EExtended strand (participates in β ladder)trans-105125.5170.6174.859.6000109.6T4 I7 V8 M11 G19 I21 I142 V143 M144 I179T4-L177 HydrophobicContact CG2-CD2 3.74Å; I7-L177 HydrophobicContact CG2-CD1 3.91Å; V8-L177 HydrophobicContact CG2-CD2 3.97Å; M11-L177 HydrophobicContact CE-CB 3.94Å; M11-L177 HydrophobicContact CE-CD1 4.28Å; M11-L177 HydrophobicContact SD-CB 4.11Å; G19-L177 WeakPolarHBondContact O-CA 3.4Å; I21-L177 HydrophobicContact CD1-CD1 4.42Å; I142-L177 PolarHBondContact O-N 3.35Å; V143-L177 CarbonylContact C-O 3.59Å; V143-L177 VanDerWaalsContact CA-O 3.27Å; V143-L177 WeakPolarHBondContact CA-O 3.36Å; V143-L177 HydrophobicContact CG1-CD2 4.48Å; V143-L177 HydrophobicContact CG2-CB 4.39Å; V143-L177 HydrophobicContact CG2-CD2 4.46Å; M144-L177 PolarHBondContact N-O 2.68Å; L177-I179 HydrophobicContact CD2-CD1 4.43Å; L177-I179 HydrophobicContact CG-CG1 4.24Å
178I97.1Very high89.7Confident0 Ų036.9 Ų36.90%023%0.228CC..EExtended strand (participates in β ladder)trans-109131.9176.1-61172.5000109G19 V20 I21 M144 L146 V165 L176 V196 L200G19-I178 PolarHBondContact O-N 2.62Å; V20-I178 CarbonylContact C-O 3.58Å; V20-I178 WeakPolarHBondContact CA-O 3.26Å; V20-I178 HydrophobicContact CG1-CB 4.41Å; V20-I178 HydrophobicContact CG1-CG2 4.44Å; V20-I178 HydrophobicContact CG2-CB 4.28Å; I21-I178 PolarHBondContact N-O 3.46Å; M144-I178 HydrophobicContact CB-CG1 4.26Å; M144-I178 CarbonylContact O-C 3.51Å; M144-I178 VanDerWaalsContact O-CA 3.32Å; M144-I178 WeakPolarHBondContact O-CA 3.43Å; L146-I178 HydrophobicContact CD1-CG2 3.77Å; L146-I178 HydrophobicContact CG-CG2 4.28Å; V165-I178 HydrophobicContact CG1-CD1 4.2Å; V165-I178 HydrophobicContact CG2-CD1 3.64Å; L176-I178 HydrophobicContact CD1-CG1 4.32Å; L176-I178 HydrophobicContact CD2-CD1 4.13Å; L176-I178 HydrophobicContact CD2-CG1 4.39Å; L176-I178 HydrophobicContact CG-CD1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.05Å; I178-V196 HydrophobicContact CB-CG1 4.43Å; I178-V196 HydrophobicContact CD1-CB 4.45Å; I178-V196 HydrophobicContact CD1-CG1 3.18Å; I178-V196 HydrophobicContact CG1-CG1 4.35Å; I178-V196 HydrophobicContact CG2-CG1 4.25Å; I178-L200 HydrophobicContact CD1-CD1 4.11Å; I178-L200 HydrophobicContact CD1-CD2 4.48Å; I178-L200 HydrophobicContact CD1-CG 4.5Å
179I96Very high89.3Confident2 Ų238.8 Ų38.81%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-121.6111.4174.9-52177.2000107T4 I21 I30 T33 L34 L37 V143 M144 E145 L146 L177T4-I179 HydrophobicContact CG2-CD1 4.08Å; I21-I179 HydrophobicContact CD1-CG1 4.5Å; I21-I179 CarbonylContact O-C 3.56Å; I21-I179 WeakPolarHBondContact O-CA 3.31Å; I30-I179 HydrophobicContact CB-CG2 4.47Å; I30-I179 HydrophobicContact CD1-CG2 4.35Å; I30-I179 HydrophobicContact CG1-CG2 4.05Å; I30-I179 HydrophobicContact CG2-CB 4.48Å; I30-I179 HydrophobicContact CG2-CG2 3.91Å; T33-I179 HydrophobicContact CG2-CD1 3.8Å; L34-I179 HydrophobicContact CD2-CD1 4.21Å; L37-I179 HydrophobicContact CD1-CD1 4.22Å; V143-I179 HydrophobicContact CG1-CD1 4.07Å; V143-I179 HydrophobicContact CG1-CG1 4.46Å; M144-I179 PolarHBondContact O-N 3.32Å; E145-I179 WeakPolarHBondContact CA-O 3.45Å; L146-I179 PolarHBondContact N-O 3.38Å; L177-I179 HydrophobicContact CD2-CD1 4.43Å; L177-I179 HydrophobicContact CG-CG1 4.24Å
180A94.2Very high89.1Confident0 Ų044.2 Ų44.20%026%0.264CS..EExtended strand (participates in β ladder)trans-118.9136.2-175.500000111.6I21 A22 L146 F148I21-A180 PolarHBondContact O-N 2.8Å; A22-A180 WeakPolarHBondContact CA-O 3.36Å; A22-A180 HydrophobicContact CB-CB 4.1Å; L146-A180 HydrophobicContact CB-CB 4.04Å; L146-A180 CarbonylContact O-C 3.54Å; L146-A180 VanDerWaalsContact O-CA 3.23Å; L146-A180 WeakPolarHBondContact O-CA 3.32Å; F148-A180 HydrophobicContact CD1-CB 4.38Å; F148-A180 HydrophobicContact CD2-CB 4.17Å; F148-A180 HydrophobicContact CE1-CB 3.9Å; F148-A180 HydrophobicContact CE2-CB 3.66Å; F148-A180 HydrophobicContact CZ-CB 3.52Å
181T92Very high88.9Confident4 Ų444.5 Ų44.53%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-86.9134.2160.7-177.60000109.7L25 I30 L146 D147 F148 K183L25-T181 VanDerWaalsContact O-CB 3.27Å; L25-T181 WeakPolarHBondContact O-CB 3.44Å; L25-T181 PolarHBondContact O-OG1 2.63Å; I30-T181 HydrophobicContact CD1-CG2 4.09Å; L146-T181 PolarHBondContact O-N 2.89Å; D147-T181 HydrophobicContact CB-CG2 3.66Å; D147-T181 WeakPolarHBondContact OD1-CG2 3.46Å; F148-T181 WeakPolarHBondContact CB-O 3.5Å; F148-T181 PolarHBondContact N-O 2.99Å; T181-K183 WeakPolarHBondContact OG1-CB 3.41Å; T181-K183 PolarHBondContact OG1-N 3.48Å
182A86.8Confident88.7Confident18 Ų1844.2 Ų44.215%0.14925%0.251CS..  trans-116.817.6169.900000110.8G23 F148 D184 A185 V189G23-A182 PolarHBondContact O-N 3.33Å; F148-A182 HydrophobicContact CD2-CB 4.26Å; A182-D184 PolarHBondContact O-N 3.18Å; A182-A185 WeakPolarHBondContact O-CB 3.37Å; A182-A185 PolarHBondContact O-N 3.45Å; A182-A185 VanDerWaalsContact O-N 3.08Å; A182-V189 HydrophobicContact CB-CG1 4.14Å; A182-V189 HydrophobicContact CB-CG2 3.85Å
183K82.3Confident88.6Confident88 Ų8845.7 Ų45.738%0.38326%0.258SS..THydrogen-bonded Turntrans-55.6129.1-178.7174.4166.4-177.2-1680110.3D24 H149 T181 A185D24-K183 VanDerWaalsContact OD1-CA 3.24Å; D24-K183 WeakPolarHBondContact OD1-CA 3.47Å; D24-K183 WeakPolarHBondContact OD1-CB 3.32Å; D24-K183 WeakPolarHBondContact OD1-CG 3.4Å; H149-K183 WeakPolarHBondContact CB-O 3.44Å; H149-K183 PolarHBondContact ND1-O 3.14Å; H149-K183 VanDerWaalsContact ND1-O 3.12Å; T181-K183 WeakPolarHBondContact OG1-CB 3.41Å; T181-K183 PolarHBondContact OG1-N 3.48Å; K183-A185 PolarHBondContact O-N 2.76Å
184D76.7Confident88.5Confident108 Ų10845.5 Ų45.558%0.57825%0.249SC*.THydrogen-bonded Turntrans59.98.4-179.8-58.8-46.8000115.2H149 A182 A186H149-D184 WeakPolarHBondContact CE1-CB 3.25Å; H149-D184 PolarHBondContact CE1-O 2.83Å; H149-D184 WeakPolarHBondContact ND1-CB 3.31Å; H149-D184 PolarHBondContact ND1-O 2.81Å; A182-D184 PolarHBondContact O-N 3.18Å; D184-A186 PolarHBondContact O-N 3.39Å
185A71.2Confident88.4Confident9 Ų945.8 Ų45.87%0.07425%0.251CS..  trans-85.552.8-178.800000111.3H149 A182 K183 C187 V189H149-A185 HydrophobicContact CB-CB 3.96Å; H149-A185 PolarHBondContact ND1-N 2.83Å; A182-A185 WeakPolarHBondContact O-CB 3.37Å; A182-A185 PolarHBondContact O-N 3.45Å; A182-A185 VanDerWaalsContact O-N 3.08Å; K183-A185 PolarHBondContact O-N 2.76Å; A185-C187 PolarHBondContact O-N 3.24Å; A185-V189 HydrophobicContact CB-CG2 3.17Å; A185-V189 WeakPolarHBondContact O-CG2 3.24Å
186A70.2Confident88.3Confident104 Ų10444.1 Ų44.186%0.8624%0.244SC*.THydrogen-bonded Turntrans-59.1-24.9-177.500000113.1D184D184-A186 PolarHBondContact O-N 3.39Å
187C71.5Confident88.2Confident78 Ų7845.6 Ų45.653%0.52725%0.252SS..THydrogen-bonded Turntrans-104.9126.3178.1-61.30000110F152 A185 V189F152-C187 HydrophobicContact CE1-CB 4.32Å; F152-C187 HydrophobicContact CZ-CB 4.19Å; A185-C187 PolarHBondContact O-N 3.24Å; C187-V189 PolarHBondContact O-N 3.04Å
188K81.7Confident88Confident106 Ų10647.7 Ų47.746%0.46127%0.265SS..THydrogen-bonded Turntrans6910.4171.5-60.3-177.5162.5-124.20118.5F152 E190 E191 Y192F152-K188 HydrophobicContact CD2-CB 4.48Å; F152-K188 HydrophobicContact CD2-CD 3.9Å; F152-K188 HydrophobicContact CE2-CD 3.74Å; F152-K188 HydrophobicContact CE2-CG 4.4Å; K188-E190 PolarHBondContact O-N 2.87Å; K188-E190 VanDerWaalsContact O-N 3.16Å; K188-E191 HydrophobicContact CB-CB 4.23Å; K188-E191 VanDerWaalsContact CD-OE2 3.28Å; K188-E191 WeakPolarHBondContact CD-OE2 3.38Å; K188-E191 WeakPolarHBondContact CE-OE2 3.32Å; K188-E191 IonicContact NZ-OE1 3.18Å; K188-E191 IonicContact NZ-OE2 2.78Å; K188-E191 PolarHBondContact NZ-OE2 2.87Å; K188-E191 WeakPolarHBondContact O-CB 3.25Å; K188-E191 PolarHBondContact O-N 2.86Å; K188-Y192 HydrophobicContact CB-CD2 4.45Å; K188-Y192 HydrophobicContact CB-CE2 4.48Å; K188-Y192 WeakPolarHBondContact O-CD2 3.39Å; K188-Y192 PolarHBondContact O-N 3.47Å
189V88.1Confident87.8Confident39 Ų3948.1 Ų48.124%0.23627%0.268CS..Hα-helixtrans-52.9-37.7171.5161.10000112.6A182 A185 C187 E191 Y192 L193A182-V189 HydrophobicContact CB-CG1 4.14Å; A182-V189 HydrophobicContact CB-CG2 3.85Å; A185-V189 HydrophobicContact CB-CG2 3.17Å; A185-V189 WeakPolarHBondContact O-CG2 3.24Å; C187-V189 PolarHBondContact O-N 3.04Å; V189-E191 VanDerWaalsContact C-N 3.3Å; V189-E191 PolarHBondContact O-N 3.34Å; V189-Y192 PolarHBondContact O-N 2.89Å; V189-L193 WeakPolarHBondContact O-CB 3.14Å; V189-L193 PolarHBondContact O-N 2.56Å
190E90Very high87.8Confident148 Ų14848.4 Ų48.469%0.69227%0.269SS*.Hα-helixtrans-57.2-43.8175.3-174.1178.9-178.300111.8K188 L193 L194K188-E190 PolarHBondContact O-N 2.87Å; K188-E190 VanDerWaalsContact O-N 3.16Å; E190-L193 PolarHBondContact O-N 3.37Å; E190-L194 HydrophobicContact CG-CD1 3.94Å; E190-L194 HydrophobicContact CG-CG 4.33Å; E190-L194 VanDerWaalsContact O-CB 3.26Å; E190-L194 WeakPolarHBondContact O-CB 3.4Å; E190-L194 WeakPolarHBondContact O-CG 3.49Å; E190-L194 PolarHBondContact O-N 2.85Å
191E92.1Very high87.7Confident75 Ų7551.6 Ų51.635%0.3530%0.296SS..Hα-helixtrans-63.6-44.4179.5-160.9-177.4159.800111.3P158 K188 V189 S195P158-E191 HydrophobicContact CB-CG 4.23Å; P158-E191 HydrophobicContact CG-CB 4.42Å; P158-E191 HydrophobicContact CG-CG 3.85Å; K188-E191 HydrophobicContact CB-CB 4.23Å; K188-E191 VanDerWaalsContact CD-OE2 3.28Å; K188-E191 WeakPolarHBondContact CD-OE2 3.38Å; K188-E191 WeakPolarHBondContact CE-OE2 3.32Å; K188-E191 IonicContact NZ-OE1 3.18Å; K188-E191 IonicContact NZ-OE2 2.78Å; K188-E191 PolarHBondContact NZ-OE2 2.87Å; K188-E191 WeakPolarHBondContact O-CB 3.25Å; K188-E191 PolarHBondContact O-N 2.86Å; V189-E191 VanDerWaalsContact C-N 3.3Å; V189-E191 PolarHBondContact O-N 3.34Å; E191-S195 WeakPolarHBondContact O-CB 3.39Å; E191-S195 PolarHBondContact O-N 3.12Å
192Y93.2Very high87.6Confident7 Ų754.5 Ų54.53%0.02733%0.326CS..Hα-helixtrans-66.7-44.1175.9-78.5-81.8000112.6F148 S151 F152 I156 P158 Y161 K188 V189 S195 V196F148-Y192 HydrophobicContact CB-CG 4.2Å; F148-Y192 HydrophobicContact CD1-CD1 4.05Å; F148-Y192 HydrophobicContact CD1-CG 4.11Å; F148-Y192 HydrophobicContact CG-CG 4.19Å; S151-Y192 PolarHBondContact O-OH 2.63Å; F152-Y192 VanDerWaalsContact CA-OH 3.25Å; F152-Y192 WeakPolarHBondContact CA-OH 3.47Å; F152-Y192 HydrophobicContact CB-CE2 3.94Å; F152-Y192 PolarHBondContact N-OH 3.32Å; F152-Y192 VanDerWaalsContact N-OH 3.16Å; I156-Y192 PolarHBondContact O-OH 2.86Å; P158-Y192 HydrophobicContact CB-CD1 4.35Å; P158-Y192 HydrophobicContact CB-CE1 4.47Å; P158-Y192 HydrophobicContact CG-CD1 4.13Å; P158-Y192 HydrophobicContact CG-CD2 4.33Å; P158-Y192 HydrophobicContact CG-CE1 3.94Å; P158-Y192 HydrophobicContact CG-CE2 4.16Å; P158-Y192 HydrophobicContact CG-CG 4.31Å; Y161-Y192 AromaticContact CD2-CD1 3.61Å; Y161-Y192 HydrophobicContact CD2-CD1 3.61Å; Y161-Y192 AromaticContact CD2-CE1 3.93Å; Y161-Y192 HydrophobicContact CD2-CE1 3.93Å; Y161-Y192 AromaticContact CE2-CD1 3.55Å; Y161-Y192 HydrophobicContact CE2-CD1 3.55Å; Y161-Y192 AromaticContact CE2-CE1 3.6Å; Y161-Y192 HydrophobicContact CE2-CE1 3.6Å; K188-Y192 HydrophobicContact CB-CD2 4.45Å; K188-Y192 HydrophobicContact CB-CE2 4.48Å; K188-Y192 WeakPolarHBondContact O-CD2 3.39Å; K188-Y192 PolarHBondContact O-N 3.47Å; V189-Y192 PolarHBondContact O-N 2.89Å; Y192-S195 WeakPolarHBondContact O-CB 3.39Å; Y192-S195 PolarHBondContact O-N 2.87Å; Y192-S195 PolarHBondContact O-OG 2.95Å; Y192-V196 PolarHBondContact O-N 3.49Å
193L93.6Very high87.5Confident42 Ų4256.7 Ų56.722%0.2234%0.34CS..Hα-helixtrans-64-44.4178.8-175.762.9000110.6V20 A22 F148 V189 E190 S195 V196 L197V20-L193 HydrophobicContact CG1-CD1 4.39Å; A22-L193 HydrophobicContact CB-CD1 4.15Å; F148-L193 HydrophobicContact CE2-CB 4.4Å; F148-L193 HydrophobicContact CE2-CD1 4.39Å; V189-L193 WeakPolarHBondContact O-CB 3.14Å; V189-L193 PolarHBondContact O-N 2.56Å; E190-L193 PolarHBondContact O-N 3.37Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 3.33Å; L193-V196 PolarHBondContact O-N 3.23Å; L193-L197 HydrophobicContact CD1-CD1 4.03Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.68Å; L193-L197 HydrophobicContact CG-CG 4.16Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.34Å; L193-L197 PolarHBondContact O-N 3.05Å
194L93.5Very high86.8Confident86 Ų8659.7 Ų59.745%0.4536%0.361SS..Hα-helixtrans-61.1-41.4174.3-74.3174.3000111.6E190 V196 L197 T198E190-L194 HydrophobicContact CG-CD1 3.94Å; E190-L194 HydrophobicContact CG-CG 4.33Å; E190-L194 VanDerWaalsContact O-CB 3.26Å; E190-L194 WeakPolarHBondContact O-CB 3.4Å; E190-L194 WeakPolarHBondContact O-CG 3.49Å; E190-L194 PolarHBondContact O-N 2.85Å; L194-V196 PolarHBondContact O-N 3.45Å; L194-V196 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.39Å; L194-T198 VanDerWaalsContact O-CB 3.31Å; L194-T198 WeakPolarHBondContact O-CB 3.37Å; L194-T198 PolarHBondContact O-N 2.88Å; L194-T198 PolarHBondContact O-OG1 3.3Å
195S93.5Very high85.9Confident12 Ų1255.4 Ų55.48%0.08434%0.342CS..Hα-helixtrans-57.8-28178.579.50000113.4P158 S162 E191 Y192 L193 P199P158-S195 WeakPolarHBondContact O-CB 3.27Å; P158-S195 PolarHBondContact O-OG 3.2Å; S162-S195 WeakPolarHBondContact CA-O 3.39Å; S162-S195 VanDerWaalsContact CB-O 3.3Å; S162-S195 WeakPolarHBondContact CB-O 3.5Å; S162-S195 PolarHBondContact OG-O 2.92Å; E191-S195 WeakPolarHBondContact O-CB 3.39Å; E191-S195 PolarHBondContact O-N 3.12Å; Y192-S195 WeakPolarHBondContact O-CB 3.39Å; Y192-S195 PolarHBondContact O-N 2.87Å; Y192-S195 PolarHBondContact O-OG 2.95Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-S195 PolarHBondContact O-N 3.33Å; S195-P199 WeakPolarHBondContact O-CD 3.25Å; S195-P199 VanDerWaalsContact O-CG 3.27Å; S195-P199 WeakPolarHBondContact O-CG 3.28Å
196V95.2Very high85.2Confident0 Ų063.6 Ų63.60%038%0.378CS..Hα-helixtrans-89.9-44.8175.6170.30000111.9V20 L146 F148 V165 I178 Y192 L193 L194 P199 L200V20-V196 HydrophobicContact CG2-CG1 4Å; L146-V196 HydrophobicContact CD1-CG2 3.86Å; F148-V196 HydrophobicContact CE1-CG2 4.37Å; F148-V196 HydrophobicContact CZ-CG2 4.26Å; V165-V196 HydrophobicContact CG2-CG1 4.36Å; V165-V196 HydrophobicContact CG2-CG2 4.28Å; I178-V196 HydrophobicContact CB-CG1 4.43Å; I178-V196 HydrophobicContact CD1-CB 4.45Å; I178-V196 HydrophobicContact CD1-CG1 3.18Å; I178-V196 HydrophobicContact CG1-CG1 4.35Å; I178-V196 HydrophobicContact CG2-CG1 4.25Å; Y192-V196 PolarHBondContact O-N 3.49Å; L193-V196 PolarHBondContact O-N 3.23Å; L194-V196 PolarHBondContact O-N 3.45Å; L194-V196 VanDerWaalsContact O-N 3.08Å; V196-P199 VanDerWaalsContact O-CD 3.29Å; V196-P199 WeakPolarHBondContact O-CD 3.22Å; V196-P199 VanDerWaalsContact O-CG 3.29Å; V196-P199 WeakPolarHBondContact O-CG 3.34Å; V196-L200 HydrophobicContact CG1-CD1 4.11Å; V196-L200 VanDerWaalsContact O-CG 3.3Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 3.42Å
197L95.4Very high84.5Confident32 Ų3262.1 Ų62.117%0.16836%0.358CS..Hα-helixtrans-68.9-37.8-175.6-70.6178.5000113V20 L193 L194 L200 A201 I340 V342V20-L197 HydrophobicContact CB-CD2 4.38Å; V20-L197 HydrophobicContact CG2-CD2 3.82Å; L193-L197 HydrophobicContact CD1-CD1 4.03Å; L193-L197 HydrophobicContact CD1-CG 4.12Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.68Å; L193-L197 HydrophobicContact CG-CG 4.16Å; L193-L197 WeakPolarHBondContact O-CB 3.23Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.34Å; L193-L197 PolarHBondContact O-N 3.05Å; L194-L197 PolarHBondContact O-N 3.39Å; L197-L200 PolarHBondContact O-N 2.71Å; L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 2.54Å; L197-I340 HydrophobicContact CD2-CG2 4.45Å; L197-V342 HydrophobicContact CD1-CG2 4.03Å; L197-V342 HydrophobicContact CD2-CG2 3.7Å
198T93.6Very high83.6Confident43 Ų4364.7 Ų64.726%0.26436%0.362SS..Hα-helixtrans-56.6-54179.7-61.10000112.7L194 L200 A201 S203L194-T198 VanDerWaalsContact O-CB 3.31Å; L194-T198 WeakPolarHBondContact O-CB 3.37Å; L194-T198 PolarHBondContact O-N 2.88Å; L194-T198 PolarHBondContact O-OG1 3.3Å; T198-L200 PolarHBondContact O-N 3.16Å; T198-A201 WeakPolarHBondContact O-CB 3.49Å; T198-A201 PolarHBondContact O-N 2.97Å; T198-S203 CarbonylContact C-O 3.52Å; T198-S203 WeakPolarHBondContact O-CB 3.41Å; T198-S203 PolarHBondContact O-N 2.76Å; T198-S203 VanDerWaalsContact O-N 3.1Å
199P93.8Very high82.3Confident10 Ų1066.6 Ų66.67%0.06538%0.378CS..Hα-helixtrans-68.2-32.1177.227.2-36.2000113.3V165 S166 S195 V196 A201 G202 S203V165-P199 HydrophobicContact CB-CB 4.42Å; V165-P199 HydrophobicContact CB-CG 3.83Å; V165-P199 HydrophobicContact CG1-CB 4.02Å; V165-P199 HydrophobicContact CG1-CG 3.6Å; S166-P199 VanDerWaalsContact OG-CB 3.23Å; S166-P199 WeakPolarHBondContact OG-CB 3.43Å; S195-P199 WeakPolarHBondContact O-CD 3.25Å; S195-P199 VanDerWaalsContact O-CG 3.27Å; S195-P199 WeakPolarHBondContact O-CG 3.28Å; V196-P199 VanDerWaalsContact O-CD 3.29Å; V196-P199 WeakPolarHBondContact O-CD 3.22Å; V196-P199 VanDerWaalsContact O-CG 3.29Å; V196-P199 WeakPolarHBondContact O-CG 3.34Å; P199-A201 PolarHBondContact O-N 3.46Å; P199-G202 PolarHBondContact O-N 2.95Å; P199-S203 WeakPolarHBondContact CA-O 3.2Å
200L94.5Very high80.7Confident7 Ų767.4 Ų67.44%0.03739%0.385CS..Hα-helixtrans-63.1-31.2172.5-70.7-174.2000112.5V20 V165 M169 L176 I178 V196 L197 T198 G202 I340V20-L200 HydrophobicContact CG2-CD1 3.27Å; V165-L200 HydrophobicContact CG1-CD2 3.68Å; V165-L200 HydrophobicContact CG1-CG 3.94Å; M169-L200 HydrophobicContact CE-CD2 4.27Å; M169-L200 HydrophobicContact CG-CD2 3.93Å; M169-L200 HydrophobicContact SD-CD2 3.45Å; M169-L200 WeakPolarHBondContact SD-CD2 3.31Å; L176-L200 HydrophobicContact CD2-CD2 4.01Å; L176-L200 HydrophobicContact CG-CD2 4.48Å; I178-L200 HydrophobicContact CD1-CD1 4.11Å; I178-L200 HydrophobicContact CD1-CD2 4.48Å; I178-L200 HydrophobicContact CD1-CG 4.5Å; V196-L200 HydrophobicContact CG1-CD1 4.11Å; V196-L200 VanDerWaalsContact O-CG 3.3Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 3.42Å; L197-L200 PolarHBondContact O-N 2.71Å; T198-L200 PolarHBondContact O-N 3.16Å; L200-G202 PolarHBondContact O-N 2.89Å; L200-I340 HydrophobicContact CB-CD1 4.05Å
201A92.5Very high79.2Confident68 Ų6861.2 Ų61.256%0.56236%0.357SS*.THydrogen-bonded Turntrans-77.71.1175.500000113.5L197 T198 P199 S203 I340L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 2.54Å; T198-A201 WeakPolarHBondContact O-CB 3.49Å; T198-A201 PolarHBondContact O-N 2.97Å; P199-A201 PolarHBondContact O-N 3.46Å; A201-S203 PolarHBondContact O-N 2.76Å; A201-I340 VanDerWaalsContact CA-CD1 3.46Å; A201-I340 HydrophobicContact CB-CD1 3.66Å
202G89.2Confident77.6Confident64 Ų6459.8 Ų59.866%0.6636%0.363SS*.THydrogen-bonded Turntrans74.110.7-175.500000113.4P199 L200P199-G202 PolarHBondContact O-N 2.95Å; L200-G202 PolarHBondContact O-N 2.89Å
203S86.3Confident76.1Confident64 Ų6466.6 Ų66.645%0.44840%0.4SS..  trans-81.8132.4171-177.30000108.8T198 P199 A201 G205T198-S203 CarbonylContact C-O 3.52Å; T198-S203 WeakPolarHBondContact O-CB 3.41Å; T198-S203 PolarHBondContact O-N 2.76Å; T198-S203 VanDerWaalsContact O-N 3.1Å; P199-S203 WeakPolarHBondContact CA-O 3.2Å; A201-S203 PolarHBondContact O-N 2.76Å; S203-G205 PolarHBondContact O-N 2.79Å
204N66.1Low75.5Confident152 Ų15267 Ų6781%0.81341%0.414SS*.  trans-67.6109.7173.9-67.1-28.6000107.9H206N204-H206 PolarHBondContact O-N 3.39Å
205G59.7Low75.3Confident17 Ų1768 Ų6818%0.17543%0.428CS..  trans-57.4135.6167.700000108.9S203 V207S203-G205 PolarHBondContact O-N 2.79Å; G205-V207 VanDerWaalsContact C-N 3.28Å; G205-V207 PolarHBondContact O-N 3.18Å
206H55.3Low75.2Confident181 Ų18169.3 Ų69.384%0.83844%0.436SS*.  trans-61.998.9163.8-94.5-81.7000106.8N204 Q208N204-H206 PolarHBondContact O-N 3.39Å; H206-Q208 PolarHBondContact O-N 3.3Å
207V56.2Low75.2Confident74 Ų7470.7 Ų70.745%0.44845%0.445SS..  trans-66.987.8160.8-177.90000104.4F163 G205 D209F163-V207 HydrophobicContact CD2-CG1 4.42Å; F163-V207 HydrophobicContact CD2-CG2 4.13Å; G205-V207 VanDerWaalsContact C-N 3.28Å; G205-V207 PolarHBondContact O-N 3.18Å; V207-D209 PolarHBondContact O-N 2.84Å
208Q53.1Low75.1Confident131 Ų13173 Ų7361%0.61247%0.468SS*.  trans-62.6129.7175.2-147.3177.126.400106.3H206 S210H206-Q208 PolarHBondContact O-N 3.3Å; Q208-S210 PolarHBondContact O-N 2.82Å
209D52.4Low75Confident146 Ų14675.1 Ų75.178%0.78148%0.476SS*.G310 helixtrans-56.2-3-178.6-62.4-47000114V207 V211 G212V207-D209 PolarHBondContact O-N 2.84Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 3.39Å; D209-G212 PolarHBondContact O-N 3.4Å
210S55.2Low75Confident57 Ų5774.7 Ų74.740%0.39947%0.473SS..G310 helixtrans-68.7-19-178.557.40000114.8Q208 G212Q208-S210 PolarHBondContact O-N 2.82Å; S210-G212 PolarHBondContact O-N 3.45Å
211V59.5Low75Confident17 Ų1776.6 Ų76.610%0.10348%0.482CS..G310 helixtrans-69.8-20.5177.2-170.90000111.4V120 L123 S159 D209V120-V211 VanDerWaalsContact CG2-O 3.24Å; V120-V211 WeakPolarHBondContact CG2-O 3.34Å; L123-V211 HydrophobicContact CB-CG1 4.36Å; L123-V211 HydrophobicContact CD2-CG1 4.05Å; S159-V211 WeakPolarHBondContact OG-CG2 3.21Å; D209-V211 VanDerWaalsContact C-N 3.3Å; D209-V211 PolarHBondContact O-N 3.39Å
212G57.6Low75Confident45 Ų4581.4 Ų81.446%0.46449%0.486SS..G310 helixtrans-99.81.4-168.100000117.4D209 S210 G214D209-G212 PolarHBondContact O-N 3.4Å; S210-G212 PolarHBondContact O-N 3.45Å; G212-G214 PolarHBondContact O-N 2.86Å
213N62.8Low75.2Confident151 Ų15178.4 Ų78.481%0.80746%0.455SS*.SBendtrans-83.881.8-177.7-75.3-7.5000111.3
214G79.7Confident75.4Confident50 Ų5075.7 Ų75.752%0.51544%0.436SS..SBendtrans170.6164.7174.100000112.3G212G212-G214 PolarHBondContact O-N 2.86Å
215S89.9Confident76.6Confident107 Ų10771 Ų7175%0.74842%0.418SS*.PPolyproline II helixtrans-90.9141.6168.8570000110S217S215-S217 PolarHBondContact O-N 3.01Å
216V91.9Very high78.1Confident40 Ų4071.7 Ų71.724%0.24242%0.42CS..PPolyproline II helixtrans-60133.5168.1-172.90000108.5V120 D121 F124 C220 I221V120-V216 HydrophobicContact CG1-CG2 3.74Å; D121-V216 WeakPolarHBondContact OD1-CG1 3.42Å; F124-V216 HydrophobicContact CB-CG1 3.97Å; F124-V216 HydrophobicContact CB-CG2 3.84Å; F124-V216 HydrophobicContact CD1-CG1 3.83Å; F124-V216 HydrophobicContact CD2-CB 4.42Å; F124-V216 HydrophobicContact CD2-CG1 4.01Å; F124-V216 HydrophobicContact CD2-CG2 3.68Å; F124-V216 HydrophobicContact CE1-CG1 4.29Å; F124-V216 HydrophobicContact CE2-CG1 4.44Å; F124-V216 HydrophobicContact CE2-CG2 4.44Å; F124-V216 HydrophobicContact CG-CB 4.45Å; F124-V216 HydrophobicContact CG-CG1 3.67Å; F124-V216 HydrophobicContact CG-CG2 3.89Å; V216-C220 HydrophobicContact CG1-CB 4.06Å; V216-I221 HydrophobicContact CB-CD1 4.4Å; V216-I221 HydrophobicContact CB-CG1 4.36Å; V216-I221 HydrophobicContact CG1-CD1 4.3Å; V216-I221 HydrophobicContact CG1-CG1 3.75Å
217S93.4Very high79.8Confident29 Ų2963.1 Ų63.120%0.20338%0.38CS..PPolyproline II helixtrans-68.5145.4177.861.90000111.5D121 S215 E219 C220 I221D121-S217 PolarHBondContact OD1-N 2.75Å; D121-S217 PolarHBondContact OD1-OG 2.98Å; S215-S217 PolarHBondContact O-N 3.01Å; S217-E219 PolarHBondContact O-N 2.86Å; S217-C220 WeakPolarHBondContact O-CB 3.41Å; S217-C220 PolarHBondContact O-N 3.35Å; S217-C220 VanDerWaalsContact O-N 3.13Å; S217-C220 WeakPolarHBondContact OG-CB 3.15Å; S217-C220 PolarHBondContact OG-N 3.1Å; S217-I221 WeakPolarHBondContact O-CG1 3.47Å; S217-I221 PolarHBondContact O-N 3.43Å
218A93.3Very high81.4Confident79 Ų7960.6 Ų60.665%0.65337%0.365SS*.Hα-helixtrans-59.6-35.8175.400000112I221 W222A218-I221 PolarHBondContact O-N 2.87Å; A218-W222 WeakPolarHBondContact O-CB 3.21Å; A218-W222 PolarHBondContact O-N 3.48Å
219E93.4Very high83.1Confident89 Ų8958.4 Ų58.442%0.41636%0.363SS..Hα-helixtrans-61.7-42175.1-58.7-177.2160.800111.6P113 S115 S217 W222 M223P113-E219 HydrophobicContact CB-CB 3.8Å; P113-E219 WeakPolarHBondContact CB-OE2 3.42Å; P113-E219 HydrophobicContact CG-CB 4.01Å; S115-E219 WeakPolarHBondContact CB-OE2 3.38Å; S115-E219 PolarHBondContact N-OE2 2.92Å; S115-E219 PolarHBondContact OG-OE2 3.18Å; S217-E219 PolarHBondContact O-N 2.86Å; E219-W222 PolarHBondContact O-N 3.32Å; E219-M223 VanDerWaalsContact O-CB 3.25Å; E219-M223 WeakPolarHBondContact O-CB 3.38Å; E219-M223 PolarHBondContact O-N 3.08Å
220C93.2Very high84.8Confident0 Ų055.1 Ų55.10%034%0.343CS..Hα-helixtrans-66.8-41176.4179.60000112.5L117 D121 V216 S217 M223 T224L117-C220 HydrophobicContact CD2-CB 4.29Å; D121-C220 HydrophobicContact CB-CB 4.08Å; D121-C220 VanDerWaalsContact OD1-CB 3.23Å; D121-C220 WeakPolarHBondContact OD1-CB 3.42Å; V216-C220 HydrophobicContact CG1-CB 4.06Å; S217-C220 WeakPolarHBondContact O-CB 3.41Å; S217-C220 PolarHBondContact O-N 3.35Å; S217-C220 VanDerWaalsContact O-N 3.13Å; S217-C220 WeakPolarHBondContact OG-CB 3.15Å; S217-C220 PolarHBondContact OG-N 3.1Å; C220-M223 PolarHBondContact O-N 3.39Å; C220-T224 WeakPolarHBondContact O-CB 3.24Å; C220-T224 PolarHBondContact O-N 2.78Å; C220-T224 PolarHBondContact O-OG1 3.37Å
221I93.6Very high86.3Confident47 Ų4752.4 Ų52.424%0.24132%0.324CS..Hα-helixtrans-60-48.4174.9-66.3163.9000109.9F124 V216 S217 A218 T224 A225 L319F124-I221 HydrophobicContact CE1-CG1 4.29Å; F124-I221 HydrophobicContact CZ-CG1 4.09Å; V216-I221 HydrophobicContact CB-CD1 4.4Å; V216-I221 HydrophobicContact CB-CG1 4.36Å; V216-I221 HydrophobicContact CG1-CD1 4.3Å; V216-I221 HydrophobicContact CG1-CG1 3.75Å; S217-I221 WeakPolarHBondContact O-CG1 3.47Å; S217-I221 PolarHBondContact O-N 3.43Å; A218-I221 PolarHBondContact O-N 2.87Å; I221-T224 PolarHBondContact O-N 2.61Å; I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.3Å; I221-L319 HydrophobicContact CD1-CD2 4Å
222W92.1Very high87.5Confident169 Ų16953.3 Ų53.364%0.6433%0.328SS*.Hα-helixtrans-63.2-44.8179.1-174.988.9000112.1A218 E219 T224 A225 S226A218-W222 WeakPolarHBondContact O-CB 3.21Å; A218-W222 PolarHBondContact O-N 3.48Å; E219-W222 PolarHBondContact O-N 3.32Å; W222-T224 VanDerWaalsContact C-N 3.34Å; W222-T224 PolarHBondContact O-N 3.19Å; W222-A225 PolarHBondContact O-N 3.27Å; W222-S226 WeakPolarHBondContact O-CB 3.44Å; W222-S226 PolarHBondContact O-N 3.27Å
223M93.6Very high88.5Confident1 Ų158.9 Ų58.91%0.00534%0.341CS..Hα-helixtrans-58.3-46176-179.9-114.4-66.900111.5M60 V110 E111 L112 P113 L117 V125 E219 C220 S226 A227M60-M223 HydrophobicContact CE-CE 4.44Å; M60-M223 HydrophobicContact CE-SD 3.48Å; M60-M223 WeakPolarHBondContact CE-SD 3.36Å; M60-M223 HydrophobicContact SD-SD 4.13Å; V110-M223 HydrophobicContact CG1-CG 3.73Å; E111-M223 VanDerWaalsContact O-CG 3.31Å; E111-M223 WeakPolarHBondContact O-CG 3.4Å; L112-M223 HydrophobicContact CD2-CE 4.3Å; P113-M223 HydrophobicContact CG-CB 4.31Å; P113-M223 HydrophobicContact CG-CE 3.53Å; L117-M223 HydrophobicContact CD1-CE 4.1Å; L117-M223 HydrophobicContact CD2-CE 3.65Å; L117-M223 HydrophobicContact CG-CE 4.45Å; V125-M223 HydrophobicContact CG2-CE 4.46Å; E219-M223 VanDerWaalsContact O-CB 3.25Å; E219-M223 WeakPolarHBondContact O-CB 3.38Å; E219-M223 PolarHBondContact O-N 3.08Å; C220-M223 PolarHBondContact O-N 3.39Å; M223-S226 PolarHBondContact O-N 3.48Å; M223-A227 PolarHBondContact O-N 3.16Å
224T92.2Very high89Confident8 Ų855.3 Ų55.35%0.04932%0.322CS..Hα-helixtrans-64.9-44.2177.2-58.70000111.7F124 Q128 L129 C220 I221 W222 A227 V228F124-T224 HydrophobicContact CE1-CG2 3.9Å; Q128-T224 HydrophobicContact CB-CG2 4.29Å; L129-T224 HydrophobicContact CB-CG2 4.1Å; L129-T224 HydrophobicContact CD2-CG2 4.45Å; C220-T224 WeakPolarHBondContact O-CB 3.24Å; C220-T224 PolarHBondContact O-N 2.78Å; C220-T224 PolarHBondContact O-OG1 3.37Å; I221-T224 PolarHBondContact O-N 2.61Å; W222-T224 VanDerWaalsContact C-N 3.34Å; W222-T224 PolarHBondContact O-N 3.19Å; T224-A227 WeakPolarHBondContact O-CB 3.5Å; T224-A227 PolarHBondContact O-N 3Å; T224-V228 WeakPolarHBondContact O-CG2 3.27Å; T224-V228 PolarHBondContact O-N 3.26Å
225A91.1Very high88.8Confident54 Ų5453.5 Ų53.545%0.44630%0.299SS..Hα-helixtrans-63.5-41.5177.500000112.1I221 W222 V228 C229I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.3Å; W222-A225 PolarHBondContact O-N 3.27Å; A225-V228 PolarHBondContact O-N 2.98Å; A225-C229 WeakPolarHBondContact O-CB 3.46Å; A225-C229 PolarHBondContact O-N 3Å
226S90.8Very high87.8Confident31 Ų3152.5 Ų52.522%0.21729%0.29CS..Hα-helixtrans-60-45.8174-179.90000111.2W222 M223 V228 C229 Q230W222-S226 WeakPolarHBondContact O-CB 3.44Å; W222-S226 PolarHBondContact O-N 3.27Å; M223-S226 PolarHBondContact O-N 3.48Å; S226-V228 PolarHBondContact O-N 3.24Å; S226-C229 PolarHBondContact O-N 3.23Å; S226-Q230 WeakPolarHBondContact O-CG 3.48Å; S226-Q230 PolarHBondContact O-N 3Å; S226-Q230 PolarHBondContact OG-NE2 3.06Å
227A91.7Very high86.9Confident0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-58-49.4175.200000112F62 V110 L129 M223 T224 C229 Q230 L231F62-A227 HydrophobicContact CE2-CB 4.22Å; V110-A227 HydrophobicContact CB-CB 4.47Å; V110-A227 HydrophobicContact CG1-CB 4.19Å; V110-A227 HydrophobicContact CG2-CB 3.66Å; L129-A227 HydrophobicContact CD1-CB 3.93Å; L129-A227 HydrophobicContact CD2-CB 3.7Å; L129-A227 HydrophobicContact CG-CB 4.49Å; M223-A227 PolarHBondContact O-N 3.16Å; T224-A227 WeakPolarHBondContact O-CB 3.5Å; T224-A227 PolarHBondContact O-N 3Å; A227-C229 PolarHBondContact O-N 2.88Å; A227-Q230 PolarHBondContact O-N 3.17Å; A227-L231 WeakPolarHBondContact O-CB 3.36Å; A227-L231 WeakPolarHBondContact O-CD1 3.35Å; A227-L231 VanDerWaalsContact O-CG 3.23Å; A227-L231 WeakPolarHBondContact O-CG 2.88Å; A227-L231 PolarHBondContact O-N 3.17Å
228V89.7Confident85.8Confident21 Ų2154 Ų5413%0.12729%0.29CS..Hα-helixtrans-58.6-47.5177.9167.30000111.3L129 T224 A225 S226 Q230 L231 Q232 F242L129-V228 HydrophobicContact CD1-CG2 3.65Å; T224-V228 WeakPolarHBondContact O-CG2 3.27Å; T224-V228 PolarHBondContact O-N 3.26Å; A225-V228 PolarHBondContact O-N 2.98Å; S226-V228 PolarHBondContact O-N 3.24Å; V228-Q230 PolarHBondContact O-N 3.44Å; V228-L231 PolarHBondContact O-N 3.44Å; V228-Q232 HydrophobicContact CG1-CG 4.21Å; V228-Q232 WeakPolarHBondContact O-CB 3.36Å; V228-Q232 WeakPolarHBondContact O-CG 3.25Å; V228-Q232 PolarHBondContact O-N 3.12Å; V228-F242 HydrophobicContact CB-CD2 4.39Å; V228-F242 HydrophobicContact CB-CG 4.39Å; V228-F242 HydrophobicContact CG1-CB 3.59Å; V228-F242 HydrophobicContact CG1-CD1 3.9Å; V228-F242 HydrophobicContact CG1-CD2 3.59Å; V228-F242 HydrophobicContact CG1-CE2 4.23Å; V228-F242 HydrophobicContact CG1-CG 3.41Å; V228-F242 VanDerWaalsContact CG1-CG 3.41Å; V228-F242 HydrophobicContact CG2-CD1 3.83Å; V228-F242 HydrophobicContact CG2-CD2 4.2Å; V228-F242 HydrophobicContact CG2-CE1 3.69Å; V228-F242 HydrophobicContact CG2-CE2 4.06Å; V228-F242 HydrophobicContact CG2-CG 4.1Å; V228-F242 HydrophobicContact CG2-CZ 3.8Å
229C86.9Confident84.7Confident85 Ų8556.5 Ų56.557%0.57429%0.286SS*.Hα-helixtrans-60.2-45.5-179.2-174.50000111.6A225 S226 A227A225-C229 WeakPolarHBondContact O-CB 3.46Å; A225-C229 PolarHBondContact O-N 3Å; S226-C229 PolarHBondContact O-N 3.23Å; A227-C229 PolarHBondContact O-N 2.88Å
230Q88.5Confident83.5Confident77 Ų7757.3 Ų57.336%0.3630%0.302SS..Hα-helixtrans-64.5-40.9177.1-69-177.458.700111.7V108 S226 A227 V228 H233V108-Q230 HydrophobicContact CG1-CB 3.69Å; V108-Q230 HydrophobicContact CG1-CG 4.48Å; S226-Q230 WeakPolarHBondContact O-CG 3.48Å; S226-Q230 PolarHBondContact O-N 3Å; S226-Q230 PolarHBondContact OG-NE2 3.06Å; A227-Q230 PolarHBondContact O-N 3.17Å; V228-Q230 PolarHBondContact O-N 3.44Å; Q230-H233 PolarHBondContact O-N 2.67Å
231L87.7Confident82.5Confident0 Ų060.4 Ų60.40%032%0.317CS..Hα-helixtrans-71.3-36.7-179.2-74.4169000113.4F62 V108 L129 I133 A227 V228 H233 L234 Y235 L238F62-L231 HydrophobicContact CB-CD2 3.9Å; F62-L231 HydrophobicContact CD1-CD1 3.98Å; F62-L231 HydrophobicContact CD1-CD2 4.31Å; F62-L231 HydrophobicContact CD2-CD1 4.05Å; F62-L231 HydrophobicContact CD2-CD2 4.23Å; F62-L231 HydrophobicContact CD2-CG 4.4Å; F62-L231 HydrophobicContact CE1-CD1 3.94Å; F62-L231 HydrophobicContact CE2-CD1 4.04Å; F62-L231 HydrophobicContact CG-CD1 4.05Å; F62-L231 HydrophobicContact CG-CD2 3.89Å; F62-L231 HydrophobicContact CG-CG 4.44Å; F62-L231 HydrophobicContact CZ-CD1 4Å; V108-L231 HydrophobicContact CB-CD2 4.33Å; V108-L231 HydrophobicContact CG2-CD2 4Å; L129-L231 HydrophobicContact CD1-CD1 4.17Å; I133-L231 HydrophobicContact CD1-CD1 3.38Å; I133-L231 HydrophobicContact CG1-CD1 4.31Å; A227-L231 WeakPolarHBondContact O-CB 3.36Å; A227-L231 WeakPolarHBondContact O-CD1 3.35Å; A227-L231 VanDerWaalsContact O-CG 3.23Å; A227-L231 WeakPolarHBondContact O-CG 2.88Å; A227-L231 PolarHBondContact O-N 3.17Å; V228-L231 PolarHBondContact O-N 3.44Å; L231-H233 PolarHBondContact O-N 2.88Å; L231-L234 PolarHBondContact O-N 3.43Å; L231-L234 VanDerWaalsContact O-N 3.09Å; L231-Y235 HydrophobicContact CB-CD2 4.48Å; L231-Y235 HydrophobicContact CD2-CD2 3.92Å; L231-Y235 HydrophobicContact CD2-CE2 3.74Å; L231-Y235 PolarHBondContact O-N 3.36Å; L231-L238 HydrophobicContact CB-CD1 3.79Å
232Q85Confident81.5Confident37 Ų3759.1 Ų59.117%0.17331%0.31CS..Hα-helixtrans-60.9-26.3176.6-79.4178.4-29.400112.9V228 L238 K239 F242V228-Q232 HydrophobicContact CG1-CG 4.21Å; V228-Q232 WeakPolarHBondContact O-CB 3.36Å; V228-Q232 WeakPolarHBondContact O-CG 3.25Å; V228-Q232 PolarHBondContact O-N 3.12Å; Q232-L238 HydrophobicContact CG-CB 4.46Å; Q232-K239 HydrophobicContact CB-CG 4.46Å; Q232-K239 HydrophobicContact CG-CG 4.48Å; Q232-F242 HydrophobicContact CG-CB 4.36Å; Q232-F242 HydrophobicContact CG-CD2 4.25Å; Q232-F242 PolarHBondContact NE2-O 3.21Å
233H77.1Confident80Confident162 Ų16258.1 Ų58.175%0.7532%0.317SS*.Hα-helixtrans-71-38.8175-168.373.3000111.9Q230 L231Q230-H233 PolarHBondContact O-N 2.67Å; L231-H233 PolarHBondContact O-N 2.88Å
234L73.7Confident78Confident75 Ų7562.5 Ų62.539%0.39335%0.345SS..Hα-helixtrans-86.7-28.8-177.9-62.7-180000113.3F106 V108 L231 P236F106-L234 HydrophobicContact CD2-CD1 3.74Å; F106-L234 HydrophobicContact CE2-CB 4.46Å; F106-L234 HydrophobicContact CE2-CD1 4.16Å; F106-L234 HydrophobicContact CG-CD1 4.47Å; V108-L234 HydrophobicContact CG2-CD1 3.24Å; V108-L234 HydrophobicContact CG2-CG 4.47Å; L231-L234 PolarHBondContact O-N 3.43Å; L231-L234 VanDerWaalsContact O-N 3.09Å; L234-P236 WeakPolarHBondContact O-CD 3.19Å
235Y75.5Confident76Confident13 Ų1365.8 Ų65.85%0.05137%0.368CS..  trans-123.386.5-179.9-61.3-77.4000109.8Q64 L73 F106 L231 F237 L238Q64-Y235 VanDerWaalsContact OE1-CZ 3.23Å; Q64-Y235 PolarHBondContact OE1-OH 2.94Å; L73-Y235 WeakPolarHBondContact CD1-OH 3.27Å; F106-Y235 HydrophobicContact CE2-CD2 4.48Å; F106-Y235 HydrophobicContact CE2-CE1 4.18Å; F106-Y235 AromaticContact CE2-CE2 3.53Å; F106-Y235 HydrophobicContact CE2-CE2 3.53Å; F106-Y235 AromaticContact CE2-CZ 3.39Å; F106-Y235 WeakPolarHBondContact CE2-OH 3.23Å; F106-Y235 HydrophobicContact CZ-CD1 4.39Å; F106-Y235 AromaticContact CZ-CE1 3.54Å; F106-Y235 HydrophobicContact CZ-CE1 3.54Å; F106-Y235 AromaticContact CZ-CE2 3.79Å; F106-Y235 HydrophobicContact CZ-CE2 3.79Å; F106-Y235 AromaticContact CZ-CZ 3.2Å; F106-Y235 WeakPolarHBondContact CZ-OH 3.15Å; L231-Y235 HydrophobicContact CB-CD2 4.48Å; L231-Y235 HydrophobicContact CD2-CD2 3.92Å; L231-Y235 HydrophobicContact CD2-CE2 3.74Å; L231-Y235 PolarHBondContact O-N 3.36Å; Y235-F237 HydrophobicContact CD1-CD1 4.37Å; Y235-F237 AromaticContact CD1-CE1 3.31Å; Y235-F237 HydrophobicContact CD1-CE1 3.31Å; Y235-F237 HydrophobicContact CD1-CE2 4.17Å; Y235-F237 AromaticContact CD1-CZ 3.18Å; Y235-F237 HydrophobicContact CD1-CZ 3.18Å; Y235-F237 HydrophobicContact CE1-CE1 4.13Å; Y235-F237 AromaticContact CE1-CZ 3.79Å; Y235-F237 HydrophobicContact CE1-CZ 3.79Å; Y235-F237 HydrophobicContact CG-CE1 4.05Å; Y235-F237 HydrophobicContact CG-CE2 4.37Å; Y235-F237 AromaticContact CG-CZ 3.76Å; Y235-F237 HydrophobicContact CG-CZ 3.76Å; Y235-F237 PolarHBondContact O-N 3.42Å; Y235-L238 HydrophobicContact CD2-CD1 3.68Å; Y235-L238 HydrophobicContact CG-CD1 3.9Å; Y235-L238 HydrophobicContact CG-CG 4.27Å; Y235-L238 VanDerWaalsContact O-CB 3.3Å; Y235-L238 WeakPolarHBondContact O-CB 3.47Å; Y235-L238 PolarHBondContact O-N 3.16Å
236P70Confident73.8Confident86 Ų8674.1 Ų74.156%0.55839%0.388SS*.G310 helixtrans-56.3-27178.5-27.235.1000113.4L234 L238 K239L234-P236 WeakPolarHBondContact O-CD 3.19Å; P236-L238 PolarHBondContact O-N 2.84Å; P236-K239 WeakPolarHBondContact O-CB 3.12Å; P236-K239 WeakPolarHBondContact O-CG 3.16Å; P236-K239 PolarHBondContact O-N 2.81Å
237F71.4Confident71.5Confident99 Ų9979.6 Ų79.643%0.43441%0.411SS..G310 helixtrans-66.1-23.6173.963.9-105.6000113A136 Y235 K239 S240A136-F237 HydrophobicContact CB-CD2 3.84Å; A136-F237 HydrophobicContact CB-CE2 3.45Å; A136-F237 VanDerWaalsContact CB-CE2 3.45Å; Y235-F237 HydrophobicContact CD1-CD1 4.37Å; Y235-F237 AromaticContact CD1-CE1 3.31Å; Y235-F237 HydrophobicContact CD1-CE1 3.31Å; Y235-F237 HydrophobicContact CD1-CE2 4.17Å; Y235-F237 AromaticContact CD1-CZ 3.18Å; Y235-F237 HydrophobicContact CD1-CZ 3.18Å; Y235-F237 HydrophobicContact CE1-CE1 4.13Å; Y235-F237 AromaticContact CE1-CZ 3.79Å; Y235-F237 HydrophobicContact CE1-CZ 3.79Å; Y235-F237 HydrophobicContact CG-CE1 4.05Å; Y235-F237 HydrophobicContact CG-CE2 4.37Å; Y235-F237 AromaticContact CG-CZ 3.76Å; Y235-F237 HydrophobicContact CG-CZ 3.76Å; Y235-F237 PolarHBondContact O-N 3.42Å; F237-K239 PolarHBondContact O-N 2.86Å; F237-S240 PolarHBondContact O-N 3.16Å; F237-S240 PolarHBondContact O-OG 3.13Å
238L70.9Confident68.7Low1 Ų186.8 Ų86.81%0.00545%0.449CS..G310 helixtrans-68.9-14.6173.1-65.5179.9000111.8I133 A136 L231 Q232 Y235 P236 S240 I241 F242I133-L238 HydrophobicContact CG1-CD1 4.43Å; I133-L238 HydrophobicContact CG1-CD2 4.47Å; A136-L238 HydrophobicContact CB-CD2 3.54Å; L231-L238 HydrophobicContact CB-CD1 3.79Å; Q232-L238 HydrophobicContact CG-CB 4.46Å; Y235-L238 HydrophobicContact CD2-CD1 3.68Å; Y235-L238 HydrophobicContact CG-CD1 3.9Å; Y235-L238 HydrophobicContact CG-CG 4.27Å; Y235-L238 VanDerWaalsContact O-CB 3.3Å; Y235-L238 WeakPolarHBondContact O-CB 3.47Å; Y235-L238 PolarHBondContact O-N 3.16Å; P236-L238 PolarHBondContact O-N 2.84Å; L238-S240 PolarHBondContact O-N 2.85Å; L238-I241 HydrophobicContact CD2-CD1 3.96Å; L238-I241 PolarHBondContact O-N 3.14Å; L238-F242 HydrophobicContact CB-CD2 3.86Å; L238-F242 HydrophobicContact CB-CE2 4.11Å; L238-F242 HydrophobicContact CD1-CE2 4.09Å; L238-F242 HydrophobicContact CD2-CE2 4.16Å; L238-F242 HydrophobicContact CG-CE2 4.34Å; L238-F242 PolarHBondContact O-N 2.88Å
239K69.8Low66.3Low132 Ų13292.2 Ų92.257%0.57448%0.482SS*.G310 helixtrans-64.9-25.8171.8-64.1-177176.9-175.40113Q232 P236 F237 I241Q232-K239 HydrophobicContact CB-CG 4.46Å; Q232-K239 HydrophobicContact CG-CG 4.48Å; P236-K239 WeakPolarHBondContact O-CB 3.12Å; P236-K239 WeakPolarHBondContact O-CG 3.16Å; P236-K239 PolarHBondContact O-N 2.81Å; F237-K239 PolarHBondContact O-N 2.86Å; K239-I241 VanDerWaalsContact C-N 3.27Å
240S69.2Low63.9Low106 Ų10695.4 Ų95.474%0.74149%0.493SS*.G310 helixtrans-80.6-13.4173.465.40000112.8F237 L238F237-S240 PolarHBondContact O-N 3.16Å; F237-S240 PolarHBondContact O-OG 3.13Å; L238-S240 PolarHBondContact O-N 2.85Å
241I71.3Confident61.4Low64 Ų6496.9 Ų96.933%0.32851%0.507SS..THydrogen-bonded Turntrans-101.4-46.4-175.4-62.7-177.2000110P132 A136 L238 K239P132-I241 HydrophobicContact CB-CG2 3.51Å; A136-I241 HydrophobicContact CB-CD1 3.19Å; L238-I241 HydrophobicContact CD2-CD1 3.96Å; L238-I241 PolarHBondContact O-N 3.14Å; K239-I241 VanDerWaalsContact C-N 3.27Å
242F74.3Confident59Low20 Ų20105.9 Ų105.99%0.08855%0.549CS..SBendtrans-95.7111.3172.6-59.8-56.7000108.4Q128 L129 P132 I133 V228 Q232 L238Q128-F242 VanDerWaalsContact O-CE1 3.31Å; Q128-F242 WeakPolarHBondContact O-CE1 3.16Å; L129-F242 HydrophobicContact CD1-CZ 4.32Å; P132-F242 HydrophobicContact CB-CE1 3.74Å; P132-F242 HydrophobicContact CB-CZ 3.78Å; P132-F242 HydrophobicContact CG-CE1 4.12Å; I133-F242 HydrophobicContact CG1-CE2 4.3Å; I133-F242 HydrophobicContact CG1-CZ 4.14Å; V228-F242 HydrophobicContact CB-CD2 4.39Å; V228-F242 HydrophobicContact CB-CG 4.39Å; V228-F242 HydrophobicContact CG1-CB 3.59Å; V228-F242 HydrophobicContact CG1-CD1 3.9Å; V228-F242 HydrophobicContact CG1-CD2 3.59Å; V228-F242 HydrophobicContact CG1-CE2 4.23Å; V228-F242 HydrophobicContact CG1-CG 3.41Å; V228-F242 VanDerWaalsContact CG1-CG 3.41Å; V228-F242 HydrophobicContact CG2-CD1 3.83Å; V228-F242 HydrophobicContact CG2-CD2 4.2Å; V228-F242 HydrophobicContact CG2-CE1 3.69Å; V228-F242 HydrophobicContact CG2-CE2 4.06Å; V228-F242 HydrophobicContact CG2-CG 4.1Å; V228-F242 HydrophobicContact CG2-CZ 3.8Å; Q232-F242 HydrophobicContact CG-CB 4.36Å; Q232-F242 HydrophobicContact CG-CD2 4.25Å; Q232-F242 PolarHBondContact NE2-O 3.21Å; L238-F242 HydrophobicContact CB-CD2 3.86Å; L238-F242 HydrophobicContact CB-CE2 4.11Å; L238-F242 HydrophobicContact CD1-CE2 4.09Å; L238-F242 HydrophobicContact CD2-CE2 4.16Å; L238-F242 HydrophobicContact CG-CE2 4.34Å; L238-F242 PolarHBondContact O-N 2.88Å
243L59.7Low56.7Low148 Ų148110.6 Ų110.678%0.77558%0.576SS**PPolyproline II helixtrans-58.5131.7173.4-69.3171.2000109S245L243-S245 PolarHBondContact O-N 2.99Å
244P52.4Low55Low94 Ų94109.6 Ų109.661%0.6158%0.581SS**PPolyproline II helixtrans-59.9129.5173.822-29.4000109.5R246P244-R246 PolarHBondContact O-N 3.4Å
245S50Low53.4Low76 Ų76111.5 Ų111.553%0.53160%0.598SS.*PPolyproline II helixtrans-52.7119.3163171.80000107.7L243 E247L243-S245 PolarHBondContact O-N 2.99Å; S245-E247 VanDerWaalsContact C-N 3.26Å; S245-E247 PolarHBondContact O-N 3.12Å
246R44.6Very low51.6Low229 Ų229116.3 Ų116.386%0.86463%0.634SS**  trans-71.786.3172.2-90.7-173.3166.6178.3-4.7108.7P244 D248P244-R246 PolarHBondContact O-N 3.4Å; R246-D248 VanDerWaalsContact C-N 3.31Å; R246-D248 PolarHBondContact O-N 2.98Å
247E42Very low50.3Low147 Ų147117.8 Ų117.869%0.68765%0.646SS**  trans-83.781.6153-70.4178.7176.500106.6S245S245-E247 VanDerWaalsContact C-N 3.26Å; S245-E247 PolarHBondContact O-N 3.12Å
248D33.3Very low49.1Very low150 Ų150118.3 Ų118.380%0.80266%0.662SS**  trans17883.5163.7-87-29.9000109.7R246R246-D248 VanDerWaalsContact C-N 3.31Å; R246-D248 PolarHBondContact O-N 2.98Å
249V38.2Very low47.5Very low136 Ų136128 Ų12882%0.82470%0.704SS**  trans-131.683.5153.1-175.40000107.3
250N37Very low46.4Very low151 Ų151128 Ų12881%0.80772%0.717SS**  trans-90.2113.2164.3-123.4-16.6000108.1
251V35.6Very low45.2Very low108 Ų108128.9 Ų128.966%0.65572%0.724SS**  trans26.5112.2148.9-170.90000117.5
252E38.4Very low44Very low189 Ų189129.7 Ų129.788%0.88375%0.748SS**  trans-147.5128.9136.6-136.2171.5-171.200112.8
253N37.3Very low42.7Very low136 Ų136138.7 Ų138.773%0.72779%0.787SS**  trans-64.4152.3180-59.1-61.3000112.1
254T39.8Very low42.1Very low142 Ų142137 Ų13787%0.87179%0.785SS**  trans-166.7154.9149.716.90000110
255P41Very low41.6Very low115 Ų115137.1 Ų137.175%0.74779%0.794SS**  -120.5175.5-123.936.5-20000115.6
256S37.7Very low41.4Very low113 Ų113137.6 Ų137.679%0.7980%0.802SS**  trans-50.7139.3173.954.70000117.7
257S43.2Very low41.3Very low117 Ų117132.8 Ų132.882%0.81879%0.794SS**  trans166.4151.8133.1790000107
258S45.4Very low41.7Very low111 Ų111133.9 Ų133.978%0.77680%0.798SS**  cis-166.5156.412.238.80000107.8
259K37.8Very low42.1Very low204 Ų204131.2 Ų131.289%0.88779%0.791SS**  trans-76.8163.8178.8-75.9173.1172.2172.90113.1
260P46.8Very low42.5Very low131 Ų131130 Ų13085%0.85179%0.789SS**  trans-124144141.234.2-21.5000113.5
261S43.2Very low42.9Very low125 Ų125128.1 Ų128.187%0.87479%0.788SS**  trans-100.3140.8179.851.80000112.4
262G45.4Very low43.3Very low81 Ų81127.8 Ų127.884%0.83579%0.79SS**  trans-175.9103.4165.600000113.7
263K47.2Very low43.4Very low209 Ų209123.6 Ų123.691%0.90979%0.788SS**  trans-92.8176.8163.6-84.8-177.3174.2179.70108.6
264P47.3Very low43.5Very low114 Ų114122.8 Ų122.874%0.7479%0.79SS**  cis-148.9168.119.538.1-15000119.7
265A43.2Very low43.9Very low95 Ų95125 Ų12579%0.78579%0.791SS**  trans62.2137.3134.400000126.2
266A45.3Very low44Very low86 Ų86125.8 Ų125.871%0.71179%0.793SS**  trans71.8142.9148.600000118
267D42.4Very low44.2Very low129 Ų129127.1 Ų127.169%0.6979%0.791SS**  cis-169.7165.30.7-102.2-28.4000107.8
268H50.3Low44.4Very low169 Ų169127.5 Ų127.578%0.78279%0.793SS**  trans67.2153159.5-54.1-49.4000119.1
269S42.4Very low44.2Very low94 Ų94131 Ų13166%0.65779%0.794SS**  cis-177.4141.1-29.953.40000106.7
270S45Very low44.6Very low112 Ų112133.7 Ų133.778%0.78380%0.799SS**  trans76.6144.9147.375.80000123.1
271S46.2Very low44.3Very low111 Ų111136.8 Ų136.878%0.77680%0.799SS**  trans84.4134.4154.5-143.50000115.9
272S44.3Very low44.5Very low101 Ų101136.4 Ų136.471%0.70680%0.796SS**  cis171.5145.8-5.543.10000105.8
273A40.9Very low44.4Very low100 Ų100138.1 Ų138.183%0.82679%0.79SS**  trans131.3119.914800000115.6
274P39.6Very low44.2Very low119 Ų119136 Ų13677%0.77379%0.788SS**  trans-124.5138.8162.636.6-22.7000112.6
275Q46.7Very low44.1Very low189 Ų189135.4 Ų135.488%0.88379%0.787SS**  trans-160.6144.7155-62.8-164-10.900105.9
276V44.5Very low44.1Very low131 Ų131140.3 Ų140.379%0.79479%0.79SS**  -165.614153.2167.30000109.7
277L41.3Very low44.3Very low142 Ų142143 Ų14374%0.74379%0.792SS**  trans-60.7145.1167.2-109.575000113.8
278S46.9Very low44.4Very low125 Ų125145.6 Ų145.687%0.87480%0.798SS**  -152.6130.2128.173.60000112.5
279K42Very low44.1Very low183 Ų183143.1 Ų143.180%0.79680%0.799SS**  trans-89.4143.3179.1-72.61681731690109.6
280R45.1Very low44.2Very low261 Ų261143.8 Ų143.899%0.98580%0.802SS**  trans-140128.9144-115.9179.8179.8-176-0.1110.1
281K40.6Very low43.9Very low197 Ų197146.6 Ų146.686%0.85780%0.802SS**  trans-129.1126.5-174-134.3-174.1-173.5-174.70106.2
282S47.7Very low43.7Very low116 Ų116149.4 Ų149.481%0.81181%0.807SS**  trans-163.3101.8159.7540000106.3
283V42.6Very low43.2Very low118 Ų118150.1 Ų150.172%0.71581%0.807SS**  81.6111.166175.10000113
284L44Very low43.3Very low164 Ų164150.4 Ų150.486%0.85980%0.803SS**  trans59.3143.5149.2-97.753.1000118.7
285S44.1Very low43.2Very low102 Ų102149.5 Ų149.571%0.71380%0.8SS**  cis-164.5129.624.641.90000109.1
286K44.1Very low43.1Very low198 Ų198147.1 Ų147.186%0.86179%0.792SS**  49.5112.6101.6-86.2-173.8177177.70118
287D49.2Very low43Very low141 Ų141147.3 Ų147.375%0.75479%0.788SS**  -176.8115.5121.9-94.4-27.2000110.8
288K44.4Very low42.9Very low185 Ų185148 Ų14880%0.80479%0.792SS**  59.6101.2103.4-74.9-179.3175178.60114.9
289S44.5Very low42.6Very low116 Ų116145.4 Ų145.481%0.81179%0.786SS**  70.1156.979-68.10000116
290P44.2Very low42.4Very low109 Ų109143.9 Ų143.971%0.70879%0.786SS**  -144-178.5-58.241.5-22.2000114.9
291Q38Very low42.1Very low170 Ų170135.7 Ų135.779%0.79477%0.769SS**  trans56.8125.9148.8-76.1-174.75.100123.3
292I42.6Very low42Very low171 Ų171134 Ų13488%0.87777%0.769SS**  trans-140.1133.3140.2-63-175.6000109.7
293T35Very low41.2Very low115 Ų115139.8 Ų139.871%0.70677%0.773SS**  trans-110.9146.5176.844.90000111.5
294S41.2Very low40.9Very low107 Ų107140.6 Ų140.675%0.74878%0.778SS**  trans169.2115.6144.9390000107.7
295S39.2Very low40.5Very low100 Ų100139 Ų13970%0.69978%0.775SS**  76.712459.176.30000114
296I44.2Very low39.7Very low139 Ų139141.2 Ų141.271%0.71378%0.779SS**  trans139.2122.5130.8-73.5166.4000115.1
297N41.1Very low39.2Very low135 Ų135140.6 Ų140.672%0.72278%0.776SS**  trans73150.6150.6-66.71.6000120.6
298D39.3Very low38.4Very low155 Ų155140 Ų14083%0.82978%0.778SS**  cis167.9139.9-25.2-110-23.3000102.5
299G41.3Very low37.9Very low72 Ų72135.4 Ų135.474%0.74277%0.774SS**  trans153.887.6167.900000118.4
300D37.8Very low37.1Very low151 Ų151136.8 Ų136.881%0.80777%0.773SS**  trans64.1107.8137.2-88.4-36.1000124.2
301S38.9Very low36.7Very low89 Ų89140.7 Ų140.762%0.62278%0.781SS**  54108.8110.9-54.50000120.4
302N38.1Very low36.5Very low160 Ų160138.2 Ų138.286%0.85678%0.778SS**  -177.8101.2110.9-90.5-31.9000114.4
303R31.1Very low36Very low238 Ų238137.9 Ų137.990%0.89878%0.778SS**  trans2124.4133-142.7178.3-168.9172.52117.4
304V36.1Very low35.7Very low136 Ų136138.2 Ų138.282%0.82478%0.784SS**  trans-163.9108.8134.6167.90000110.6
305V36.3Very low35.4Very low130 Ų130139.7 Ų139.779%0.78878%0.777SS**  trans65.6111.6135.4-173.70000122
306D28.3Very low35.2Very low149 Ų149142.8 Ų142.880%0.79779%0.786SS**  trans-42.4146.3155.9-91.2-46.5000116.4
307K33.7Very low34.8Very low185 Ų185144.5 Ų144.580%0.80480%0.795SS**  -172.2117.9124-104.6170.6-172.7-176.60111.7
308T30.8Very low34.4Very low128 Ų128140.3 Ų140.379%0.78578%0.784SS**  trans52.2133.813160.40000118.1
309A33.6Very low34.4Very low88 Ų88137.7 Ų137.773%0.72777%0.769SS**  cis-167.3162.822.300000109.8
310D29.7Very low34Very low146 Ų146142.8 Ų142.878%0.78177%0.774SS**  trans-49.5123.8172.1-67.1-54000114.7
311H35.5Very low33.7Very low190 Ų190145.4 Ų145.488%0.8877%0.772SS**  trans-149.171.3153.6-79.7-66.6000109.7
312T33.2Very low33.5Very low118 Ų118146.3 Ų146.372%0.72477%0.77SS**  trans-121.590.5166.140.20000107.7
313N31.2Very low33.3Very low164 Ų164142.8 Ų142.888%0.87776%0.763SS**SBendtrans167.381.5160-86.1-21.1000109.4
314C29.8Very low33.4Very low123 Ų123136.3 Ų136.383%0.83175%0.75SS**  trans-163.49.9166.2-111.30000118
315F33.9Very low33.2Very low137 Ų137136.1 Ų136.160%0.60174%0.744SS**  trans-115.811.6-170.5-84.5-78000117.3L317F315-L317 PolarHBondContact O-N 3.45Å
316D35.9Very low33.1Very low166 Ų166139.5 Ų139.589%0.88875%0.749SS**THydrogen-bonded Turntrans-83.92.3-173.6-104.5-20.6000116.3
317L35.2Very low33Very low174 Ų174136.3 Ų136.391%0.91175%0.751SS**THydrogen-bonded Turntrans-126.44.6-175.4-76.9163.4000115.7F315F315-L317 PolarHBondContact O-N 3.45Å
318G33.3Very low32.9Very low47 Ų47133.5 Ų133.549%0.48575%0.749SS.*SBendtrans-96.5-20.3176.700000115.1
319L38Very low32.7Very low100 Ų100135.5 Ų135.552%0.52475%0.749SS.*THydrogen-bonded Turntrans-82.5-26.6-166.1-106.1134.1000114.8I221 R321I221-L319 HydrophobicContact CD1-CD2 4Å; L319-R321 VanDerWaalsContact C-N 3.29Å; L319-R321 PolarHBondContact O-N 2.86Å
320E33.7Very low32.3Very low179 Ų179141.7 Ų141.784%0.83675%0.754SS**THydrogen-bonded Turntrans-73.3-15.9178-85.4-160.7147.600114.1
321R32.3Very low32.2Very low207 Ų207142.9 Ų142.978%0.78176%0.759SS**SBendtrans-98.7-15-175.2-78.9-175.5170.7-173.5-1.9115.4L319 A323L319-R321 VanDerWaalsContact C-N 3.29Å; L319-R321 PolarHBondContact O-N 2.86Å; R321-A323 VanDerWaalsContact C-N 3.3Å
322L33.9Very low31.8Very low108 Ų108141.8 Ų141.857%0.56576%0.758SS**THydrogen-bonded Turntrans-80-10.2176-85.4158000113.3Q128Q128-L322 PolarHBondContact NE2-O 3.06Å
323A33.6Very low31.5Very low86 Ų86140.2 Ų140.271%0.71176%0.757SS**THydrogen-bonded Turntrans-92.7-10.3-179.400000114.8R321R321-A323 VanDerWaalsContact C-N 3.3Å
324T34.1Very low31.2Very low102 Ų102139.8 Ų139.863%0.62676%0.755SS**SBendtrans-114.316.8-16536.30000116.9
325N31.8Very low31.3Very low132 Ų132141.8 Ų141.871%0.70676%0.756SS**  trans-134.591.2-179.8-77.5-37.9000112.5
326F33.5Very low31Very low201 Ų201140.6 Ų140.688%0.88276%0.762SS**  trans-16582.3138.5-98.8-70.6000108.3V328F326-V328 HydrophobicContact CD1-CG2 4.31Å
327G27Very low30.7Very low82 Ų82141.6 Ų141.685%0.84577%0.767SS**  trans-81.1118.5161.400000108.7
328V30.8Very low30.5Very low125 Ų125138.3 Ų138.376%0.75875%0.748SS**  trans-126.188.4169.4-1700000107.7F326F326-V328 HydrophobicContact CD1-CG2 4.31Å
329E26.6Very low30.6Very low170 Ų170147.3 Ų147.379%0.79477%0.767SS**  trans-80138.9160-83.4-153158.600109.9
330R25.3Very low30.6Very low218 Ų218144.6 Ų144.682%0.82375%0.753SS**  trans64.6101157.4-69.2176.2171.4-169.4-2.3117.9
331L26.7Very low30.9Very low171 Ų171138.2 Ų138.290%0.89573%0.727SS**  trans-179.690.9131.3-114.6138.7000111.7
332I28.5Very low31.3Very low168 Ų168131.8 Ų131.886%0.86271%0.711SS**  trans-151.2104.3144.8-54.4-174.6000108.5
333A25.5Very low31.6Very low84 Ų84128.1 Ų128.169%0.69469%0.692SS**  trans-117.8132.715800000107.6
334N26.1Very low31.8Very low155 Ų155128.6 Ų128.683%0.82969%0.69SS**  trans71.692.1167.2-58.6-35.4000118.3
335L30.6Very low31.7Very low165 Ų165130.6 Ų130.686%0.86469%0.691SS**  trans-140.4141.2146.3-87.1170.6000111
336P29.2Very low31.7Very low113 Ų113130.6 Ų130.673%0.73469%0.69SS**  trans-84154.6-172.834.6-33.3000112.8M338P336-M338 PolarHBondContact O-N 2.99Å
337L30Very low31.6Very low186 Ų186126.8 Ų126.897%0.97468%0.68SS**  trans-33117.9177.5-74.7156.1000114.5
338M30.5Very low31.9Very low105 Ų105129.3 Ų129.352%0.51767%0.671SS.*  trans-104.2133.5-179.5-170.3160.9-11000111.6L17 P336L17-M338 HydrophobicContact CB-CE 3.36Å; L17-M338 HydrophobicContact CB-SD 3.16Å; L17-M338 WeakPolarHBondContact CB-SD 3.23Å; L17-M338 HydrophobicContact CD2-CE 4.13Å; L17-M338 HydrophobicContact CD2-SD 3.47Å; L17-M338 WeakPolarHBondContact CD2-SD 3.34Å; L17-M338 HydrophobicContact CG-CE 4.24Å; L17-M338 HydrophobicContact CG-SD 3.94Å; P336-M338 PolarHBondContact O-N 2.99Å
339R34.2Very low32Very low237 Ų237129.6 Ų129.689%0.89467%0.666SS**  trans-83.6116.9172.5-70.1-179.7175.3173.5-1.8109.2P341R339-P341 WeakPolarHBondContact O-CD 3.22Å
340I38.4Very low32.3Very low42 Ų42127.1 Ų127.122%0.21566%0.658CS.*  trans-92.9115.2170.6-62.1163.1000108L197 L200 A201 V342L197-I340 HydrophobicContact CD2-CG2 4.45Å; L200-I340 HydrophobicContact CB-CD1 4.05Å; A201-I340 VanDerWaalsContact CA-CD1 3.46Å; A201-I340 HydrophobicContact CB-CD1 3.66Å; I340-V342 HydrophobicContact CG2-CG2 4.15Å; I340-V342 PolarHBondContact O-N 3.08Å
341P40Very low32.8Very low46 Ų46121 Ų12130%0.29965%0.647SS.*  trans-73.3114.6165.629.3-29.6000108.6M16 R339M16-P341 HydrophobicContact CE-CG 3.16Å; M16-P341 HydrophobicContact SD-CG 3.7Å; R339-P341 WeakPolarHBondContact O-CD 3.22Å
342V41.7Very low33.2Very low72 Ų72117.4 Ų117.444%0.43663%0.629SS.*EExtended strand (participates in β ladder)trans-93119.1165.4-177.70000106.7L197 I340L197-V342 HydrophobicContact CD1-CG2 4.03Å; L197-V342 HydrophobicContact CD2-CG2 3.7Å; I340-V342 HydrophobicContact CG2-CG2 4.15Å; I340-V342 PolarHBondContact O-N 3.08Å
343V40.2Very low33.6Very low30 Ų30113.5 Ų113.518%0.18261%0.611CS.*EExtended strand (participates in β ladder)trans-106.4101.2169.7-176.10000106.6M1 F345M1-V343 HydrophobicContact CE-CG1 4.01Å; M1-V343 HydrophobicContact CG-CG1 4.37Å; V343-F345 HydrophobicContact CG1-CD2 4.41Å; V343-F345 HydrophobicContact CG1-CE2 4.09Å
344S36.6Very low34.2Very low96 Ų96116 Ų11667%0.67160%0.604SS**EExtended strand (participates in β ladder)trans-82.4136.9165.565.40000109
345F33.4Very low35Very low145 Ų145112.5 Ų112.564%0.63658%0.584SS**  trans-95.60163.5-76.4-100.7000110.3M1 I21 A22 V343M1-F345 HydrophobicContact CE-CD1 3.32Å; M1-F345 HydrophobicContact CE-CD2 4.06Å; M1-F345 HydrophobicContact CE-CE1 2.93Å; M1-F345 HydrophobicContact CE-CE2 3.71Å; M1-F345 HydrophobicContact CE-CG 3.89Å; M1-F345 HydrophobicContact CE-CZ 3.15Å; M1-F345 HydrophobicContact CG-CZ 4.2Å; M1-F345 HydrophobicContact SD-CD1 4.19Å; M1-F345 HydrophobicContact SD-CE1 3.25Å; M1-F345 WeakPolarHBondContact SD-CE1 3.38Å; M1-F345 HydrophobicContact SD-CE2 4.38Å; M1-F345 HydrophobicContact SD-CZ 3.36Å; M1-F345 WeakPolarHBondContact SD-CZ 3.24Å; I21-F345 HydrophobicContact CG2-CE2 4.21Å; A22-F345 PolarHBondContact O-N 3.32Å; V343-F345 HydrophobicContact CG1-CD2 4.41Å; V343-F345 HydrophobicContact CG1-CE2 4.09Å

Retrieved 345 of 345 residues in 723 ms (Link to these results)

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