A0A096NAU2_PAPAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB (A0A2K5PHU2), UniProt , Accession A0A096NAU2, Species PAPAN (Papio anubis, Olive baboon), Gene RNF152, Length 203 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
1M41.3Very low62.9Low238 Ų238101.8 Ų101.8100%1.17254%0.543SS*.  044.5055-176.3174.800110.8
2E44.5Very low65.3Low165 Ų16593.3 Ų93.377%0.77150%0.498SS*.  trans-124.813.3-166.9-62.7-179.3125.400113.4S5E2-S5 PolarHBondContact O-OG 3.24Å
3T51.2Low67.2Low106 Ų10693.6 Ų93.665%0.6549%0.494SS*.  trans-81.9-21.9-173.248.70000114.1S5T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å
4L50.9Low69Low152 Ų15291.5 Ų91.580%0.79648%0.482SS*.Hα-helixtrans-71.9-22.5-175.1-70.1175.1000114.4
5S57.6Low70.6Confident82 Ų8288 Ų8857%0.57347%0.468SS*.Hα-helixtrans-79.7-30.5-177.844.10000113.2E2 T3 S8E2-S5 PolarHBondContact O-OG 3.24Å; T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å; S5-S8 PolarHBondContact O-OG 3.19Å
6Q59.8Low71.8Confident109 Ų10990.9 Ų90.951%0.50948%0.476SS..Hα-helixtrans-73.7-36.9-176.9-89.8176-25.100112.8S8 L9 L10Q6-S8 VanDerWaalsContact C-N 3.29Å; Q6-S8 PolarHBondContact O-N 3.34Å; Q6-L9 WeakPolarHBondContact O-CB 3.38Å; Q6-L9 PolarHBondContact O-N 2.85Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; Q6-L10 PolarHBondContact O-N 3.06Å
7D63.6Low72.8Confident71 Ų7189.9 Ų89.938%0.3847%0.471SS..Hα-helixtrans-62.8-37.5-178.9-64.9-30000112L9 L10 E11D7-L9 PolarHBondContact O-N 3.08Å; D7-L10 PolarHBondContact O-N 3.29Å; D7-L10 VanDerWaalsContact O-N 3.09Å; D7-E11 PolarHBondContact O-N 3.22Å
8S69.1Low73.6Confident63 Ų6392.2 Ų92.244%0.44147%0.473SS..Hα-helixtrans-63.8-27.3178.172.80000113.7S5 Q6 Q13S5-S8 PolarHBondContact O-OG 3.19Å; Q6-S8 VanDerWaalsContact C-N 3.29Å; Q6-S8 PolarHBondContact O-N 3.34Å; S8-Q13 PolarHBondContact O-NE2 3.06Å
9L79.6Confident74.4Confident79 Ų7988.5 Ų88.541%0.41445%0.453SS..Hα-helixtrans-79.1-24.7178-171.6144.9000111.8Q6 D7 Y19 V75 V78Q6-L9 WeakPolarHBondContact O-CB 3.38Å; Q6-L9 PolarHBondContact O-N 2.85Å; Q6-L9 VanDerWaalsContact O-N 3.12Å; D7-L9 PolarHBondContact O-N 3.08Å; L9-Y19 WeakPolarHBondContact O-CE2 3.38Å; L9-V75 HydrophobicContact CD2-CG1 4.44Å; L9-V75 HydrophobicContact CD2-CG2 4.36Å; L9-V78 HydrophobicContact CD2-CB 3.97Å; L9-V78 HydrophobicContact CD2-CG1 4.23Å; L9-V78 HydrophobicContact CD2-CG2 3.76Å
10L84.7Confident74.9Confident18 Ų1886.3 Ų86.39%0.09445%0.446CS..Hα-helixtrans-89.8-6.7-178.7-63.7175.7000113.6Q6 D7 Y18 Y19 V78 I79 H83Q6-L10 PolarHBondContact O-N 3.06Å; D7-L10 PolarHBondContact O-N 3.29Å; D7-L10 VanDerWaalsContact O-N 3.09Å; L10-Y18 HydrophobicContact CB-CD1 4.16Å; L10-Y18 HydrophobicContact CB-CE1 4.48Å; L10-Y18 WeakPolarHBondContact O-CA 3.41Å; L10-Y19 WeakPolarHBondContact O-CD2 3.34Å; L10-Y19 PolarHBondContact O-N 2.94Å; L10-V78 HydrophobicContact CD2-CB 4.03Å; L10-V78 HydrophobicContact CD2-CG1 3.62Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; L10-I79 HydrophobicContact CD2-CG1 3.81Å; L10-H83 WeakPolarHBondContact CD1-NE2 3.23Å
11E89.9Confident75.3Confident37 Ų3787.3 Ų87.317%0.17346%0.458CS..BIsolated β-bridgetrans-115.7147.5-178.1-68177.4-175.700112.3D7 Q13 Y18D7-E11 PolarHBondContact O-N 3.22Å; E11-Q13 PolarHBondContact O-N 3.45Å; E11-Q13 PolarHBondContact O-NE2 2.99Å; E11-Y18 HydrophobicContact CG-CD1 3.56Å; E11-Y18 HydrophobicContact CG-CE1 3.57Å; E11-Y18 HydrophobicContact CG-CG 4.05Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.44Å; E11-Y18 PolarHBondContact OE1-OH 3.46Å
12C90.9Very high77.4Confident0 Ų086.8 Ų86.80%044%0.443CS..  trans-72.2124172.5-179.40000111.6I14 C15 F16 N17 Y19 C35 C38C12-I14 PolarHBondContact O-N 3.42Å; C12-C15 VanDerWaalsContact CB-SG 3.59Å; C12-C15 PolarHBondContact O-N 3.41Å; C12-F16 WeakPolarHBondContact O-CA 3.24Å; C12-F16 PolarHBondContact O-N 2.79Å; C12-N17 PolarHBondContact N-O 2.96Å; C12-Y19 HydrophobicContact CB-CE1 4.12Å; C12-C35 HydrophobicContact CB-CB 3.74Å; C12-C35 VanDerWaalsContact SG-CB 3.59Å; C12-C38 PolarHBondContact SG-SG 2.7Å
13Q90.9Very high79.6Confident97 Ų9781.5 Ų81.545%0.45342%0.416SS..THydrogen-bonded Turntrans-67.91.4179.3-59.9-56.6-50.400115.7S8 E11 W53S8-Q13 PolarHBondContact O-NE2 3.06Å; E11-Q13 PolarHBondContact O-N 3.45Å; E11-Q13 PolarHBondContact O-NE2 2.99Å; Q13-W53 HydrophobicContact CB-CZ2 4.45Å
14I92.1Very high81.5Confident64 Ų6480.9 Ų80.933%0.32840%0.402SS..THydrogen-bonded Turntrans-106.6-43.7177.1-56.5-177.6000111.2C12 C34 M42 P52 W53C12-I14 PolarHBondContact O-N 3.42Å; I14-C34 WeakPolarHBondContact CD1-SG 3.31Å; I14-M42 HydrophobicContact CD1-CE 3.61Å; I14-M42 HydrophobicContact CD1-SD 4.24Å; I14-P52 HydrophobicContact CD1-CB 3.89Å; I14-P52 HydrophobicContact CD1-CG 3.42Å; I14-P52 VanDerWaalsContact CD1-CG 3.42Å; I14-W53 HydrophobicContact CD1-CH2 4.05Å; I14-W53 HydrophobicContact CD1-CZ2 3.96Å; I14-W53 HydrophobicContact CG1-CH2 4.39Å; I14-W53 HydrophobicContact CG1-CZ2 3.89Å
15C92.6Very high83.6Confident39 Ų3973.7 Ų73.726%0.26436%0.364SS..THydrogen-bonded Turntrans-113.9-1-175.469.40000113.7C12 N17 C38C12-C15 VanDerWaalsContact CB-SG 3.59Å; C12-C15 PolarHBondContact O-N 3.41Å; C15-N17 PolarHBondContact O-N 3.39Å; C15-N17 PolarHBondContact O-ND2 3.27Å; C15-C38 PolarHBondContact SG-SG 2.78Å
16F90.4Very high85.3Confident135 Ų13570.2 Ų70.259%0.59234%0.338SS*.  trans5132.3179.1-51.7-76.4000113.5C12C12-F16 WeakPolarHBondContact O-CA 3.24Å; C12-F16 PolarHBondContact O-N 2.79Å
17N88.3Confident87Confident73 Ų7366.6 Ų66.639%0.3932%0.322SS..  trans-104.7140.2175.1-77.7-100.1000109.4C12 C15C12-N17 PolarHBondContact N-O 2.96Å; C15-N17 PolarHBondContact O-N 3.39Å; C15-N17 PolarHBondContact O-ND2 3.27Å
18Y88.1Confident88.4Confident131 Ų13163.4 Ų63.451%0.51431%0.305SS..BIsolated β-bridgetrans-56.2140.1172.1-67.7-76.2000112.5L10 E11 R23L10-Y18 HydrophobicContact CB-CD1 4.16Å; L10-Y18 HydrophobicContact CB-CE1 4.48Å; L10-Y18 WeakPolarHBondContact O-CA 3.41Å; E11-Y18 HydrophobicContact CG-CD1 3.56Å; E11-Y18 HydrophobicContact CG-CE1 3.57Å; E11-Y18 HydrophobicContact CG-CG 4.05Å; E11-Y18 WeakPolarHBondContact OE1-CE1 3.44Å; E11-Y18 PolarHBondContact OE1-OH 3.46Å; Y18-R23 WeakPolarHBondContact O-CD 3.41Å
19Y87.8Confident89.6Confident22 Ų2265.3 Ų65.39%0.08631%0.31CS..  trans-65.6144.7169.7-64.3-60.2000110.9L9 L10 C12 R23 P25 C35 V75 I79L9-Y19 WeakPolarHBondContact O-CE2 3.38Å; L10-Y19 WeakPolarHBondContact O-CD2 3.34Å; L10-Y19 PolarHBondContact O-N 2.94Å; C12-Y19 HydrophobicContact CB-CE1 4.12Å; Y19-R23 WeakPolarHBondContact CA-O 3.2Å; Y19-R23 WeakPolarHBondContact CD1-O 3.36Å; Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.32Å; Y19-P25 HydrophobicContact CD2-CB 4.26Å; Y19-P25 HydrophobicContact CE1-CB 3.65Å; Y19-P25 HydrophobicContact CE2-CB 4.16Å; Y19-P25 HydrophobicContact CG-CB 4.1Å; Y19-P25 HydrophobicContact CG-CG 4.32Å; Y19-C35 HydrophobicContact CE1-CB 4.05Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.6Å; Y19-V75 HydrophobicContact CG-CG1 4.43Å; Y19-I79 HydrophobicContact CD2-CD1 3.99Å; Y19-I79 HydrophobicContact CG-CD1 3.92Å
20S85Confident90.2Very high45 Ų4563.4 Ų63.432%0.31530%0.304SS..BIsolated β-bridgetrans-152.9171-179.764.70000109.4R22 R23 R24S20-R22 PolarHBondContact O-N 2.95Å; S20-R23 PolarHBondContact N-O 2.83Å; S20-R23 CarbonylContact O-C 3.46Å; S20-R23 PolarHBondContact O-N 2.87Å; S20-R23 VanDerWaalsContact O-O 3.06Å; S20-R23 WeakPolarHBondContact OG-CB 3.38Å; S20-R23 PolarHBondContact OG-N 2.92Å; S20-R24 PolarHBondContact O-N 2.85Å
21P83.7Confident90.6Very high107 Ų10770.1 Ų70.170%0.69533%0.332SS*.THydrogen-bonded Turntrans-54.5-27.7175-28.636.6000114.1R24P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.27Å
22R84.8Confident90.7Very high228 Ų22871.7 Ų71.786%0.8634%0.339SS*.THydrogen-bonded Turntrans-87.5-23.2175.3-62.5-176.5-177.1-951113.2S20 S36S20-R22 PolarHBondContact O-N 2.95Å; R22-S36 PolarHBondContact O-OG 2.57Å
23R90.6Very high90.8Very high53 Ų5372.9 Ų72.920%0.235%0.347CS..BIsolated β-bridgetrans-121.872.9-179.2-171.4-175-55.8-83.44.7108.8Y18 Y19 S20 C35 V37Y18-R23 WeakPolarHBondContact O-CD 3.41Å; Y19-R23 WeakPolarHBondContact CA-O 3.2Å; Y19-R23 WeakPolarHBondContact CD1-O 3.36Å; S20-R23 PolarHBondContact N-O 2.83Å; S20-R23 CarbonylContact O-C 3.46Å; S20-R23 PolarHBondContact O-N 2.87Å; S20-R23 VanDerWaalsContact O-O 3.06Å; S20-R23 WeakPolarHBondContact OG-CB 3.38Å; S20-R23 PolarHBondContact OG-N 2.92Å; R23-C35 HydrophobicContact CG-CB 3.71Å; R23-V37 HydrophobicContact CB-CG2 4.49Å; R23-V37 HydrophobicContact CG-CG2 4.28Å
24R91.6Very high91Very high94 Ų9468.3 Ų68.336%0.35533%0.325SS..  trans-80.4144.4-173.3-51.3-142.190.4164.511.8111.6S20 P21 K26 S36 D71S20-R24 PolarHBondContact O-N 2.85Å; P21-R24 VanDerWaalsContact O-CG 3.3Å; P21-R24 WeakPolarHBondContact O-CG 3.27Å; R24-K26 HydrophobicContact CB-CD 4.48Å; R24-K26 PolarHBondContact O-N 3.14Å; R24-S36 PolarHBondContact N-OG 3.24Å; R24-S36 PolarHBondContact O-N 2.79Å; R24-D71 VanDerWaalsContact CB-OD1 3.26Å; R24-D71 WeakPolarHBondContact CB-OD1 3.18Å; R24-D71 VanDerWaalsContact CD-OD2 3.31Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.7Å; R24-D71 IonicContact NE-OD2 3.51Å; R24-D71 IonicContact NH1-OD2 3.48Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å
25P93.6Very high91.1Very high1 Ų165.2 Ų65.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-73.9102.317430.1-32.9000109.2Y19 T33 D71 D72 V75 L76 I79Y19-P25 HydrophobicContact CD1-CB 3.79Å; Y19-P25 HydrophobicContact CD1-CG 4.32Å; Y19-P25 HydrophobicContact CD2-CB 4.26Å; Y19-P25 HydrophobicContact CE1-CB 3.65Å; Y19-P25 HydrophobicContact CE2-CB 4.16Å; Y19-P25 HydrophobicContact CG-CB 4.1Å; Y19-P25 HydrophobicContact CG-CG 4.32Å; P25-T33 HydrophobicContact CB-CG2 3.55Å; P25-D71 CarbonylContact O-C 3.35Å; P25-D71 WeakPolarHBondContact O-CA 3.26Å; P25-D72 HydrophobicContact CB-CB 4.34Å; P25-D72 PolarHBondContact O-N 2.8Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.8Å; P25-V75 HydrophobicContact CG-CB 4.05Å; P25-V75 HydrophobicContact CG-CG1 3.79Å; P25-L76 HydrophobicContact CG-CD2 4.25Å; P25-L76 HydrophobicContact CG-CG 4.2Å; P25-I79 HydrophobicContact CG-CD1 4.05Å
26K94.4Very high91.1Very high9 Ų963.9 Ų63.94%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-89.2129.2-178.9-62.6-51.1-166.3177.10111.3R24 T33 C34 L39 V66 S67 L69 D71R24-K26 HydrophobicContact CB-CD 4.48Å; R24-K26 PolarHBondContact O-N 3.14Å; K26-T33 WeakPolarHBondContact O-CA 3.45Å; K26-C34 WeakPolarHBondContact CB-O 3.36Å; K26-C34 PolarHBondContact N-O 2.99Å; K26-C34 PolarHBondContact O-N 2.93Å; K26-L39 HydrophobicContact CB-CD1 3.55Å; K26-L39 HydrophobicContact CG-CD1 4.18Å; K26-V66 WeakPolarHBondContact CE-O 3.42Å; K26-S67 VanDerWaalsContact CE-O 3.3Å; K26-S67 WeakPolarHBondContact CE-O 3.42Å; K26-S67 PolarHBondContact NZ-O 3Å; K26-L69 HydrophobicContact CB-CB 4.27Å; K26-L69 HydrophobicContact CD-CB 4.11Å; K26-L69 WeakPolarHBondContact CD-O 3.32Å; K26-L69 HydrophobicContact CG-CB 4.38Å; K26-L69 PolarHBondContact NZ-O 3.32Å; K26-D71 VanDerWaalsContact CD-OD1 3.24Å; K26-D71 WeakPolarHBondContact CD-OD1 3.42Å; K26-D71 WeakPolarHBondContact CE-OD1 3.46Å; K26-D71 IonicContact NZ-OD1 2.66Å; K26-D71 PolarHBondContact NZ-OD1 2.82Å
27L94.6Very high91.3Very high33 Ų3360.3 Ų60.317%0.17329%0.29CS..EExtended strand (participates in β ladder)trans-87.5125.8176.3-170.667.3000110.3T33 P70 D72L27-T33 WeakPolarHBondContact CD1-OG1 3.39Å; L27-P70 PolarHBondContact N-O 3.27Å; L27-D72 HydrophobicContact CB-CB 4.46Å
28L94Very high91.6Very high3 Ų357.3 Ų57.32%0.01627%0.274CS..PPolyproline II helixtrans-88.9164.4174.7-61.6177000111.3C30 K31 H32 L39 V49 C51 T58 L69L28-C30 PolarHBondContact O-N 2.87Å; L28-C30 VanDerWaalsContact O-N 3.14Å; L28-K31 WeakPolarHBondContact O-CA 3.47Å; L28-K31 PolarHBondContact O-N 2.96Å; L28-H32 WeakPolarHBondContact CB-O 3.37Å; L28-H32 PolarHBondContact N-O 3.36Å; L28-L39 HydrophobicContact CD1-CD2 4.2Å; L28-L39 HydrophobicContact CD2-CD1 3.97Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; L28-V49 HydrophobicContact CD2-CG1 3.77Å; L28-C51 HydrophobicContact CD1-CB 3.65Å; L28-T58 HydrophobicContact CD2-CG2 4.45Å; L28-L69 HydrophobicContact CD2-CD1 4.25Å
29D93.3Very high91.9Very high103 Ų10351.1 Ų51.155%0.55125%0.25SC*.THydrogen-bonded Turntrans-57.8-32.6178.3-67.3-20.2000112.5K31 T58D29-K31 PolarHBondContact O-N 3.29Å; D29-T58 PolarHBondContact N-OG1 3.41Å; D29-T58 VanDerWaalsContact OD2-CA 3.24Å; D29-T58 WeakPolarHBondContact OD2-CA 3.41Å; D29-T58 PolarHBondContact OD2-OG1 3.36Å
30C93.6Very high92.2Very high40 Ų4054.5 Ų54.527%0.2727%0.266SS..THydrogen-bonded Turntrans-77.110.2174.868.30000114.6L28 H32 C51 C54L28-C30 PolarHBondContact O-N 2.87Å; L28-C30 VanDerWaalsContact O-N 3.14Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.31Å; C30-H32 PolarHBondContact SG-ND1 3.09Å; C30-H32 VanDerWaalsContact SG-ND1 3.36Å; C30-C51 VanDerWaalsContact SG-CB 3.54Å; C30-C51 PolarHBondContact SG-SG 3.2Å; C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 2.85Å
31K91.8Very high92.5Very high159 Ų15960.2 Ų60.269%0.69129%0.288SS*.SBendtrans63.514.6179.6-50.2-59-177.81790116.1L28 D29L28-K31 WeakPolarHBondContact O-CA 3.47Å; L28-K31 PolarHBondContact O-N 2.96Å; D29-K31 PolarHBondContact O-N 3.29Å
32H93.1Very high92.8Very high69 Ų6958.6 Ų58.632%0.31927%0.272SS..  trans-89.7148.2169.6-67.391.6000111.2L28 C30 W53L28-H32 WeakPolarHBondContact CB-O 3.37Å; L28-H32 PolarHBondContact N-O 3.36Å; C30-H32 PolarHBondContact O-N 3.49Å; C30-H32 PolarHBondContact O-ND1 3.31Å; C30-H32 PolarHBondContact SG-ND1 3.09Å; C30-H32 VanDerWaalsContact SG-ND1 3.36Å; H32-W53 HydrophobicContact CB-CD2 4.45Å; H32-W53 HydrophobicContact CB-CE3 3.49Å; H32-W53 VanDerWaalsContact CB-CE3 3.49Å; H32-W53 HydrophobicContact CB-CZ3 3.78Å; H32-W53 AromaticContact CG-CE3 3.89Å
33T93.3Very high93Very high26 Ų2650.1 Ų50.116%0.1624%0.24CC..EExtended strand (participates in β ladder)trans-112.5129.4-175.3-63.10000111.4P25 K26 L27 W53 D72 V75P25-T33 HydrophobicContact CB-CG2 3.55Å; K26-T33 WeakPolarHBondContact O-CA 3.45Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.39Å; T33-W53 WeakPolarHBondContact O-CH2 3.44Å; T33-W53 WeakPolarHBondContact O-CZ3 3.19Å; T33-D72 WeakPolarHBondContact CB-OD2 3.49Å; T33-D72 HydrophobicContact CG2-CB 3.64Å; T33-D72 PolarHBondContact OG1-OD2 3.5Å; T33-V75 HydrophobicContact CG2-CG2 4.46Å
34C94Very high92.7Very high0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-140.4151-178.1-1700000111.6I14 K26 L39 W53I14-C34 WeakPolarHBondContact CD1-SG 3.31Å; K26-C34 WeakPolarHBondContact CB-O 3.36Å; K26-C34 PolarHBondContact N-O 2.99Å; K26-C34 PolarHBondContact O-N 2.93Å; C34-L39 HydrophobicContact CB-CD1 4.03Å; C34-L39 HydrophobicContact CB-CD2 3.7Å; C34-L39 HydrophobicContact CB-CG 3.68Å; C34-W53 HydrophobicContact CB-CH2 3.52Å; C34-W53 HydrophobicContact CB-CZ3 3.76Å
35C94.1Very high92.5Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-64139.3178.8101.20000112.3C12 Y19 R23 V37 C38 L39C12-C35 HydrophobicContact CB-CB 3.74Å; C12-C35 VanDerWaalsContact SG-CB 3.59Å; Y19-C35 HydrophobicContact CE1-CB 4.05Å; R23-C35 HydrophobicContact CG-CB 3.71Å; C35-V37 PolarHBondContact O-N 3.5Å; C35-C38 HydrophobicContact CB-CB 4.21Å; C35-C38 WeakPolarHBondContact CB-SG 3.4Å; C35-C38 WeakPolarHBondContact O-CB 3.1Å; C35-C38 PolarHBondContact O-N 3.15Å; C35-C38 WeakPolarHBondContact SG-CB 3.29Å; C35-C38 PolarHBondContact SG-N 3.35Å; C35-C38 CovalentContact SG-SG 2.08Å; C35-C38 PolarHBondContact SG-SG 3.5Å; C35-L39 PolarHBondContact O-N 3.14Å
36S94.1Very high92.1Very high10 Ų1058 Ų587%0.0730%0.295CS..Hα-helixtrans-52.2-41.7178.457.40000113.1R22 R24 Q40 V66R22-S36 PolarHBondContact O-OG 2.57Å; R24-S36 PolarHBondContact N-OG 3.24Å; R24-S36 PolarHBondContact O-N 2.79Å; S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.14Å; S36-Q40 PolarHBondContact O-N 3.39Å; S36-V66 WeakPolarHBondContact O-CG1 3.3Å
37V94.3Very high91.7Very high61 Ų6165.1 Ų65.137%0.3733%0.326SS..Hα-helixtrans-63.1-44.1178.4-178.80000111.3R23 C35 Q40 Q41R23-V37 HydrophobicContact CB-CG2 4.49Å; R23-V37 HydrophobicContact CG-CG2 4.28Å; C35-V37 PolarHBondContact O-N 3.5Å; V37-Q40 PolarHBondContact O-N 3.29Å; V37-Q41 PolarHBondContact O-N 3.24Å
38C95.1Very high91.6Very high10 Ų1064.6 Ų64.67%0.06832%0.323CS..Hα-helixtrans-65.2-48.6-178-51.20000110.1C12 C15 C35 Q40 Q41 M42C12-C38 PolarHBondContact SG-SG 2.7Å; C15-C38 PolarHBondContact SG-SG 2.78Å; C35-C38 HydrophobicContact CB-CB 4.21Å; C35-C38 WeakPolarHBondContact CB-SG 3.4Å; C35-C38 WeakPolarHBondContact O-CB 3.1Å; C35-C38 PolarHBondContact O-N 3.15Å; C35-C38 WeakPolarHBondContact SG-CB 3.29Å; C35-C38 PolarHBondContact SG-N 3.35Å; C35-C38 CovalentContact SG-SG 2.08Å; C35-C38 PolarHBondContact SG-SG 3.5Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.78Å; C38-Q41 PolarHBondContact O-N 3.46Å; C38-M42 HydrophobicContact CB-CE 3.99Å; C38-M42 VanDerWaalsContact O-CE 3.28Å; C38-M42 WeakPolarHBondContact O-CE 3.15Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.89Å
39L94.2Very high91.5Very high0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-62.1-38.9176.4-72.4-179.9000112.2K26 L28 C34 C35 Q41 M42 R43 V49 V66 L69K26-L39 HydrophobicContact CB-CD1 3.55Å; K26-L39 HydrophobicContact CG-CD1 4.18Å; L28-L39 HydrophobicContact CD1-CD2 4.2Å; L28-L39 HydrophobicContact CD2-CD1 3.97Å; L28-L39 HydrophobicContact CD2-CD2 4.14Å; C34-L39 HydrophobicContact CB-CD1 4.03Å; C34-L39 HydrophobicContact CB-CD2 3.7Å; C34-L39 HydrophobicContact CB-CG 3.68Å; C35-L39 PolarHBondContact O-N 3.14Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.46Å; L39-M42 HydrophobicContact CD2-CE 4.31Å; L39-M42 PolarHBondContact O-N 2.76Å; L39-R43 WeakPolarHBondContact O-CB 3.25Å; L39-R43 PolarHBondContact O-N 2.78Å; L39-R43 VanDerWaalsContact O-N 3.1Å; L39-V49 HydrophobicContact CB-CG2 4.39Å; L39-V49 HydrophobicContact CD2-CG2 3.94Å; L39-V66 HydrophobicContact CB-CG1 3.38Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 3.99Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; L39-L69 HydrophobicContact CD1-CD1 4.29Å
40Q92.6Very high91.6Very high93 Ų9366.6 Ų66.644%0.43532%0.323SS..Hα-helixtrans-64.1-37.6176.2-175.461.543.200111.7S36 V37 C38 V66S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.14Å; S36-Q40 PolarHBondContact O-N 3.39Å; V37-Q40 PolarHBondContact O-N 3.29Å; C38-Q40 VanDerWaalsContact C-N 3.31Å; C38-Q40 PolarHBondContact O-N 2.78Å; Q40-V66 HydrophobicContact CB-CB 4.49Å
41Q91.9Very high91.6Very high166 Ų16664.8 Ų64.878%0.77631%0.311SS*.Hα-helixtrans-76-33.7179.4-170.1165.73.900113.2V37 C38 L39 R43V37-Q41 PolarHBondContact O-N 3.24Å; C38-Q41 PolarHBondContact O-N 3.46Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 PolarHBondContact O-N 3.46Å; Q41-R43 VanDerWaalsContact C-N 3.32Å
42M89.7Confident91.6Very high72 Ų7259.9 Ų59.936%0.35530%0.295SS..Hα-helixtrans-83.8-5.9177.5-66.7-178.2-70.600113.7I14 C38 L39 T44 P52I14-M42 HydrophobicContact CD1-CE 3.61Å; I14-M42 HydrophobicContact CD1-SD 4.24Å; C38-M42 HydrophobicContact CB-CE 3.99Å; C38-M42 VanDerWaalsContact O-CE 3.28Å; C38-M42 WeakPolarHBondContact O-CE 3.15Å; C38-M42 WeakPolarHBondContact O-CG 3.22Å; C38-M42 PolarHBondContact O-N 2.89Å; L39-M42 HydrophobicContact CD2-CE 4.31Å; L39-M42 PolarHBondContact O-N 2.76Å; M42-T44 PolarHBondContact O-N 3.48Å; M42-P52 HydrophobicContact CE-CB 4.36Å; M42-P52 HydrophobicContact CE-CG 4.1Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.5Å
43R88.7Confident91.6Very high50 Ų5061.5 Ų61.519%0.18930%0.298CS..  trans-65.6117.9-178.5-176.2-179.9-172.6172.84.9110L39 Q41 S45 Q46 F64L39-R43 WeakPolarHBondContact O-CB 3.25Å; L39-R43 PolarHBondContact O-N 2.78Å; L39-R43 VanDerWaalsContact O-N 3.1Å; Q41-R43 VanDerWaalsContact C-N 3.32Å; R43-S45 WeakPolarHBondContact CD-O 3.36Å; R43-S45 WeakPolarHBondContact CG-O 3.48Å; R43-S45 PolarHBondContact NE-O 3.43Å; R43-Q46 PolarHBondContact NH2-O 2.66Å; R43-F64 PolarHBondContact NH2-O 2.66Å; R43-F64 VanDerWaalsContact NH2-O 3.08Å
44T85.4Confident91.6Very high106 Ų10661.1 Ų61.165%0.6530%0.296SS*.  trans-91.7-22.5177.552.70000113.5M42M42-T44 PolarHBondContact O-N 3.48Å
45S86Confident91.6Very high39 Ų3970.4 Ų70.427%0.27333%0.331SS..  trans-136.5154.5-176.9960000111.6R43 K47 D48R43-S45 WeakPolarHBondContact CD-O 3.36Å; R43-S45 WeakPolarHBondContact CG-O 3.48Å; R43-S45 PolarHBondContact NE-O 3.43Å; S45-K47 PolarHBondContact O-N 2.82Å; S45-K47 PolarHBondContact OG-N 3.43Å; S45-D48 WeakPolarHBondContact CB-OD1 3.11Å; S45-D48 VanDerWaalsContact O-O 3.13Å; S45-D48 PolarHBondContact OG-N 2.75Å; S45-D48 PolarHBondContact OG-OD1 3.13Å
46Q85.2Confident91.5Very high168 Ų16871.6 Ų71.679%0.78534%0.344SS*.SBendtrans-72.7-6.6172.3-67.6-163.7-1.700113.6R43R43-Q46 PolarHBondContact NH2-O 2.66Å
47K87.6Confident91.5Very high160 Ų16074 Ų7470%0.69636%0.358SS*.SBendtrans-107.7-15.9-173.8-59.5-176-178.4-175.80113.2S45 L60S45-K47 PolarHBondContact O-N 2.82Å; S45-K47 PolarHBondContact OG-N 3.43Å; K47-L60 PolarHBondContact O-N 3.22Å
48D91.1Very high91.4Very high22 Ų2271.1 Ų71.112%0.11834%0.34CS..EExtended strand (participates in β ladder)trans-155.3162.4-178.856.824.9000114S45 V57 T58 K59S45-D48 WeakPolarHBondContact CB-OD1 3.11Å; S45-D48 VanDerWaalsContact O-O 3.13Å; S45-D48 PolarHBondContact OG-N 2.75Å; S45-D48 PolarHBondContact OG-OD1 3.13Å; D48-V57 HydrophobicContact CB-CG1 3.63Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.32Å; D48-T58 WeakPolarHBondContact CB-O 3.24Å; D48-K59 HydrophobicContact CB-CD 4.01Å; D48-K59 IonicContact OD2-NZ 2.96Å; D48-K59 PolarHBondContact OD2-NZ 2.83Å
49V93.3Very high91.3Very high0 Ų077.1 Ų77.10%037%0.365CS..EExtended strand (participates in β ladder)trans-127142.8168.867.10000108.7L28 L39 T58 L69L28-V49 HydrophobicContact CD2-CG1 3.77Å; L39-V49 HydrophobicContact CB-CG2 4.39Å; L39-V49 HydrophobicContact CD2-CG2 3.94Å; V49-T58 HydrophobicContact CG1-CG2 4.28Å; V49-T58 PolarHBondContact N-O 3.09Å; V49-T58 PolarHBondContact O-N 2.89Å; V49-L69 HydrophobicContact CG1-CD1 4.35Å
50R93.7Very high91Very high148 Ų14877.6 Ų77.656%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-102136177.4-69.4-174.4179.9147.7-0.6110.2V57R50-V57 HydrophobicContact CG-CG2 4.34Å
51C94.3Very high90.7Very high2 Ų276.3 Ų76.31%0.01437%0.367CS..  trans-64.2128.2173.6176.50000110.7L28 C30 W53 C54 R55 G56L28-C51 HydrophobicContact CD1-CB 3.65Å; C30-C51 VanDerWaalsContact SG-CB 3.54Å; C30-C51 PolarHBondContact SG-SG 3.2Å; C51-W53 VanDerWaalsContact C-N 3.28Å; C51-W53 PolarHBondContact O-N 3.32Å; C51-W53 VanDerWaalsContact SG-CE3 3.54Å; C51-W53 PolarHBondContact SG-N 3.04Å; C51-C54 WeakPolarHBondContact CB-SG 3.37Å; C51-C54 PolarHBondContact SG-N 3.15Å; C51-C54 VanDerWaalsContact SG-N 3.38Å; C51-C54 PolarHBondContact SG-SG 3.2Å; C51-R55 WeakPolarHBondContact O-CA 3.31Å; C51-R55 PolarHBondContact O-N 3.29Å; C51-G56 WeakPolarHBondContact CB-O 3.26Å; C51-G56 PolarHBondContact N-O 3.36Å
52P92.7Very high90.3Very high55 Ų5574.7 Ų74.736%0.35737%0.371SS..THydrogen-bonded Turntrans-69.8-24-179.224-28.6000113I14 M42I14-P52 HydrophobicContact CD1-CB 3.89Å; I14-P52 HydrophobicContact CD1-CG 3.42Å; I14-P52 VanDerWaalsContact CD1-CG 3.42Å; M42-P52 HydrophobicContact CE-CB 4.36Å; M42-P52 HydrophobicContact CE-CG 4.1Å; M42-P52 HydrophobicContact SD-CB 4.11Å; M42-P52 HydrophobicContact SD-CG 4.5Å
53W93.3Very high89.8Confident103 Ų10375.1 Ų75.139%0.3939%0.394SS..THydrogen-bonded Turntrans-89.3-45.4179.7-55.6-83.4000113Q13 I14 H32 T33 C34 C51Q13-W53 HydrophobicContact CB-CZ2 4.45Å; I14-W53 HydrophobicContact CD1-CH2 4.05Å; I14-W53 HydrophobicContact CD1-CZ2 3.96Å; I14-W53 HydrophobicContact CG1-CH2 4.39Å; I14-W53 HydrophobicContact CG1-CZ2 3.89Å; H32-W53 HydrophobicContact CB-CD2 4.45Å; H32-W53 HydrophobicContact CB-CE3 3.49Å; H32-W53 VanDerWaalsContact CB-CE3 3.49Å; H32-W53 HydrophobicContact CB-CZ3 3.78Å; H32-W53 AromaticContact CG-CE3 3.89Å; T33-W53 WeakPolarHBondContact O-CH2 3.44Å; T33-W53 WeakPolarHBondContact O-CZ3 3.19Å; C34-W53 HydrophobicContact CB-CH2 3.52Å; C34-W53 HydrophobicContact CB-CZ3 3.76Å; C51-W53 VanDerWaalsContact C-N 3.28Å; C51-W53 PolarHBondContact O-N 3.32Å; C51-W53 VanDerWaalsContact SG-CE3 3.54Å; C51-W53 PolarHBondContact SG-N 3.04Å
54C93.3Very high89.6Confident18 Ų1876.7 Ų76.712%0.12240%0.403CS..THydrogen-bonded Turntrans-114.8-6.1-169.277.90000114.8C30 C51 G56 R196C30-C54 WeakPolarHBondContact CB-SG 3.24Å; C30-C54 PolarHBondContact SG-SG 2.85Å; C51-C54 WeakPolarHBondContact CB-SG 3.37Å; C51-C54 PolarHBondContact SG-N 3.15Å; C51-C54 VanDerWaalsContact SG-N 3.38Å; C51-C54 PolarHBondContact SG-SG 3.2Å; C54-G56 PolarHBondContact O-N 3.38Å; C54-G56 VanDerWaalsContact O-N 3.09Å; C54-G56 PolarHBondContact SG-N 3.44Å; C54-R196 PolarHBondContact O-NH1 3.08Å; C54-R196 VanDerWaalsContact O-NH1 3.15Å
55R92.7Very high89.6Confident195 Ų19573.5 Ų73.574%0.73639%0.385SS*.  trans59.97.8-173.8-55-178.5-179.9-135.9-0.4115.3C51C51-R55 WeakPolarHBondContact O-CA 3.31Å; C51-R55 PolarHBondContact O-N 3.29Å
56G92.9Very high89.7Confident25 Ų2571.7 Ų71.726%0.25837%0.372SS..PPolyproline II helixtrans-55.2138.6170.700000110.8C51 C54C51-G56 WeakPolarHBondContact CB-O 3.26Å; C51-G56 PolarHBondContact N-O 3.36Å; C54-G56 PolarHBondContact O-N 3.38Å; C54-G56 VanDerWaalsContact O-N 3.09Å; C54-G56 PolarHBondContact SG-N 3.44Å
57V93.2Very high89.6Confident60 Ų6067.3 Ų67.336%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-96125.4-175.5-178.40000108.7D48 R50 K59D48-V57 HydrophobicContact CB-CG1 3.63Å; R50-V57 HydrophobicContact CG-CG2 4.34Å; V57-K59 HydrophobicContact CG1-CD 3.95Å
58T93Very high89.5Confident1 Ų164.5 Ų64.51%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-102.8118.1169.8-66.20000109.4L28 D29 D48 V49 L69L28-T58 HydrophobicContact CD2-CG2 4.45Å; D29-T58 PolarHBondContact N-OG1 3.41Å; D29-T58 VanDerWaalsContact OD2-CA 3.24Å; D29-T58 WeakPolarHBondContact OD2-CA 3.41Å; D29-T58 PolarHBondContact OD2-OG1 3.36Å; D48-T58 VanDerWaalsContact CA-O 3.24Å; D48-T58 WeakPolarHBondContact CA-O 3.32Å; D48-T58 WeakPolarHBondContact CB-O 3.24Å; V49-T58 HydrophobicContact CG1-CG2 4.28Å; V49-T58 PolarHBondContact N-O 3.09Å; V49-T58 PolarHBondContact O-N 2.89Å; T58-L69 HydrophobicContact CG2-CD2 3.76Å
59K91.8Very high89.3Confident136 Ų13664.1 Ų64.159%0.59135%0.347SS*.EExtended strand (participates in β ladder)trans-82130-177.6-64.4-59.6-177.11800109.7D48 V57D48-K59 HydrophobicContact CB-CD 4.01Å; D48-K59 IonicContact OD2-NZ 2.96Å; D48-K59 PolarHBondContact OD2-NZ 2.83Å; V57-K59 HydrophobicContact CG1-CD 3.95Å
60L88.6Confident89.1Confident11 Ų1168 Ų686%0.05837%0.373CS..PPolyproline II helixtrans-103.2127.9175.9-64.9173.4000108.5K47 F64 V66 L69K47-L60 PolarHBondContact O-N 3.22Å; L60-F64 HydrophobicContact CB-CB 4.26Å; L60-V66 HydrophobicContact CD1-CG2 4.45Å; L60-L69 HydrophobicContact CD2-CD1 4.27Å; L60-L69 HydrophobicContact CD2-CD2 3.72Å; L60-L69 HydrophobicContact CD2-CG 3.91Å
61P86.3Confident89Confident65 Ų6562.7 Ų62.742%0.42236%0.355SS..PPolyproline II helixtrans-55.1158170.7-24.732.9000112.2G63 F64P61-G63 PolarHBondContact O-N 2.78Å; P61-F64 HydrophobicContact CB-CB 4.33Å; P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.44Å; P61-F64 HydrophobicContact CB-CG 4.2Å; P61-F64 HydrophobicContact CG-CB 4.46Å; P61-F64 HydrophobicContact CG-CD2 4.05Å; P61-F64 HydrophobicContact CG-CE2 4.45Å; P61-F64 HydrophobicContact CG-CG 4.13Å; P61-F64 WeakPolarHBondContact O-CB 3.49Å; P61-F64 PolarHBondContact O-N 3.06Å
62P82.6Confident88.5Confident132 Ų13263.4 Ų63.486%0.85736%0.359SS*.THydrogen-bonded Turntrans-55.1129.4174.6-2232.4000111.1F64P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.28Å
63G80.5Confident87.9Confident81 Ų8165 Ų6584%0.83537%0.37SS*.THydrogen-bonded Turntrans79.9-3.1-177.200000115.3P61P61-G63 PolarHBondContact O-N 2.78Å
64F83.8Confident87.1Confident83 Ų8367.5 Ų67.536%0.36439%0.385SS..  trans-78.1132.5174.8-99.9-115.8000112.5R43 L60 P61 P62 Q68R43-F64 PolarHBondContact NH2-O 2.66Å; R43-F64 VanDerWaalsContact NH2-O 3.08Å; L60-F64 HydrophobicContact CB-CB 4.26Å; P61-F64 HydrophobicContact CB-CB 4.33Å; P61-F64 HydrophobicContact CB-CD2 3.83Å; P61-F64 HydrophobicContact CB-CE2 4.44Å; P61-F64 HydrophobicContact CB-CG 4.2Å; P61-F64 HydrophobicContact CG-CB 4.46Å; P61-F64 HydrophobicContact CG-CD2 4.05Å; P61-F64 HydrophobicContact CG-CE2 4.45Å; P61-F64 HydrophobicContact CG-CG 4.13Å; P61-F64 WeakPolarHBondContact O-CB 3.49Å; P61-F64 PolarHBondContact O-N 3.06Å; P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.28Å; F64-Q68 VanDerWaalsContact CA-OE1 3.25Å; F64-Q68 HydrophobicContact CD1-CB 3.46Å; F64-Q68 VanDerWaalsContact CD1-CB 3.46Å; F64-Q68 HydrophobicContact CD1-CG 4.38Å; F64-Q68 HydrophobicContact CE1-CB 3.52Å; F64-Q68 HydrophobicContact CE1-CG 4.41Å; F64-Q68 HydrophobicContact CG-CB 4.38Å; F64-Q68 HydrophobicContact CZ-CB 4.49Å
65S86.3Confident86.3Confident40 Ų4067.3 Ų67.328%0.2838%0.383SS..  trans-95.5160.4170.668.60000111S67 Q68S65-S67 PolarHBondContact O-N 2.95Å; S65-Q68 PolarHBondContact O-N 2.57Å; S65-Q68 PolarHBondContact OG-OE1 3.38Å
66V86.6Confident85.6Confident0 Ų059.8 Ų59.80%036%0.358CS..G310 helixtrans-57.6-32.1174.7171.20000111.6K26 S36 L39 Q40 L60 Q68 L69K26-V66 WeakPolarHBondContact CE-O 3.42Å; S36-V66 WeakPolarHBondContact O-CG1 3.3Å; L39-V66 HydrophobicContact CB-CG1 3.38Å; L39-V66 HydrophobicContact CB-CG2 4.43Å; L39-V66 HydrophobicContact CD1-CG1 3.99Å; L39-V66 HydrophobicContact CG-CG1 4.37Å; Q40-V66 HydrophobicContact CB-CB 4.49Å; L60-V66 HydrophobicContact CD1-CG2 4.45Å; V66-Q68 PolarHBondContact O-N 3Å; V66-Q68 VanDerWaalsContact O-N 3.15Å; V66-L69 HydrophobicContact CG1-CD1 4.31Å; V66-L69 WeakPolarHBondContact O-CB 3.24Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-L69 VanDerWaalsContact O-N 3.13Å
67S84.1Confident84.4Confident77 Ų7761.3 Ų61.354%0.53837%0.368SS..G310 helixtrans-61.8-20.4177.9-54.80000113.7K26 S65K26-S67 VanDerWaalsContact CE-O 3.3Å; K26-S67 WeakPolarHBondContact CE-O 3.42Å; K26-S67 PolarHBondContact NZ-O 3Å; S65-S67 PolarHBondContact O-N 2.95Å
68Q84.9Confident83Confident100 Ų10060.3 Ų60.347%0.46736%0.362SS..G310 helixtrans-94.3-1.8180-66.5165.8-5400113.4F64 S65 V66F64-Q68 VanDerWaalsContact CA-OE1 3.25Å; F64-Q68 HydrophobicContact CD1-CB 3.46Å; F64-Q68 VanDerWaalsContact CD1-CB 3.46Å; F64-Q68 HydrophobicContact CD1-CG 4.38Å; F64-Q68 HydrophobicContact CE1-CB 3.52Å; F64-Q68 HydrophobicContact CE1-CG 4.41Å; F64-Q68 HydrophobicContact CG-CB 4.38Å; F64-Q68 HydrophobicContact CZ-CB 4.49Å; S65-Q68 PolarHBondContact O-N 2.57Å; S65-Q68 PolarHBondContact OG-OE1 3.38Å; V66-Q68 PolarHBondContact O-N 3Å; V66-Q68 VanDerWaalsContact O-N 3.15Å
69L87.9Confident81.8Confident15 Ų1562.5 Ų62.58%0.07937%0.373CS..SBendtrans-62.3149.5168.9-75.5168.5000110.5K26 L28 L39 V49 T58 L60 V66 D71K26-L69 HydrophobicContact CB-CB 4.27Å; K26-L69 HydrophobicContact CD-CB 4.11Å; K26-L69 WeakPolarHBondContact CD-O 3.32Å; K26-L69 HydrophobicContact CG-CB 4.38Å; K26-L69 PolarHBondContact NZ-O 3.32Å; L28-L69 HydrophobicContact CD2-CD1 4.25Å; L39-L69 HydrophobicContact CD1-CD1 4.29Å; V49-L69 HydrophobicContact CG1-CD1 4.35Å; T58-L69 HydrophobicContact CG2-CD2 3.76Å; L60-L69 HydrophobicContact CD2-CD1 4.27Å; L60-L69 HydrophobicContact CD2-CD2 3.72Å; L60-L69 HydrophobicContact CD2-CG 3.91Å; V66-L69 HydrophobicContact CG1-CD1 4.31Å; V66-L69 WeakPolarHBondContact O-CB 3.24Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-L69 VanDerWaalsContact O-N 3.13Å; L69-D71 PolarHBondContact O-N 3.38Å
70P89.5Confident80.3Confident82 Ų8259.8 Ų59.853%0.53238%0.376SS..PPolyproline II helixtrans-57.4138.1174.925.4-33.4000109.7L27L27-P70 PolarHBondContact N-O 3.27Å
71D90.5Very high78.5Confident35 Ų3564.6 Ų64.619%0.18740%0.4CS..BIsolated β-bridgetrans-77.4149.9169.7-65.4-31.4000109R24 P25 K26 L69 P73 L76R24-D71 VanDerWaalsContact CB-OD1 3.26Å; R24-D71 WeakPolarHBondContact CB-OD1 3.18Å; R24-D71 VanDerWaalsContact CD-OD2 3.31Å; R24-D71 WeakPolarHBondContact CD-OD2 3.39Å; R24-D71 IonicContact CZ-OD2 3.7Å; R24-D71 IonicContact NE-OD2 3.51Å; R24-D71 IonicContact NH1-OD2 3.48Å; R24-D71 PolarHBondContact NH1-OD2 3.44Å; P25-D71 CarbonylContact O-C 3.35Å; P25-D71 WeakPolarHBondContact O-CA 3.26Å; K26-D71 VanDerWaalsContact CD-OD1 3.24Å; K26-D71 WeakPolarHBondContact CD-OD1 3.42Å; K26-D71 WeakPolarHBondContact CE-OD1 3.46Å; K26-D71 IonicContact NZ-OD1 2.66Å; K26-D71 PolarHBondContact NZ-OD1 2.82Å; L69-D71 PolarHBondContact O-N 3.38Å; D71-P73 WeakPolarHBondContact O-CD 3.34Å; D71-L76 HydrophobicContact CB-CD1 3.17Å; D71-L76 HydrophobicContact CB-CD2 4.4Å; D71-L76 HydrophobicContact CB-CG 3.76Å
72D85Confident76.9Confident18 Ų1866.3 Ų66.310%0.09641%0.412CS..  trans-68.9115.8172.3-174.6-28.2000109.4P25 L27 T33 E74 V75 L76P25-D72 HydrophobicContact CB-CB 4.34Å; P25-D72 PolarHBondContact O-N 2.8Å; L27-D72 HydrophobicContact CB-CB 4.46Å; T33-D72 WeakPolarHBondContact CB-OD2 3.49Å; T33-D72 HydrophobicContact CG2-CB 3.64Å; T33-D72 PolarHBondContact OG1-OD2 3.5Å; D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.79Å; D72-E74 PolarHBondContact OD1-N 3.27Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.18Å; D72-V75 PolarHBondContact OD1-N 2.91Å; D72-L76 VanDerWaalsContact O-CB 3.24Å; D72-L76 WeakPolarHBondContact O-CB 3.49Å; D72-L76 WeakPolarHBondContact O-CG 3.02Å; D72-L76 PolarHBondContact O-N 2.74Å
73P79.6Confident75.3Confident89 Ų8964.2 Ų64.258%0.57839%0.39SS*.Hα-helixtrans-68.7-29.9-17629.2-35.1000112.7D71 A77D71-P73 WeakPolarHBondContact O-CD 3.34Å; P73-A77 VanDerWaalsContact O-CB 3.27Å; P73-A77 WeakPolarHBondContact O-CB 3.45Å; P73-A77 PolarHBondContact O-N 3.49Å
74E76.1Confident73.6Confident154 Ų15466.5 Ų66.572%0.7239%0.388SS*.Hα-helixtrans-69.6-48.5179.8-62.3-169.6153.200109.4D72 A77 V78D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.79Å; D72-E74 PolarHBondContact OD1-N 3.27Å; E74-A77 PolarHBondContact O-N 3.37Å; E74-V78 WeakPolarHBondContact O-CG2 3.12Å; E74-V78 PolarHBondContact O-N 3.01Å
75V76.9Confident72Confident14 Ų1466 Ų669%0.08540%0.395CS..Hα-helixtrans-68.2-40.5178.1-1770000111.2L9 Y19 P25 T33 D72 A77 V78 I79L9-V75 HydrophobicContact CD2-CG1 4.44Å; L9-V75 HydrophobicContact CD2-CG2 4.36Å; Y19-V75 HydrophobicContact CD2-CG1 3.54Å; Y19-V75 HydrophobicContact CE2-CG1 3.6Å; Y19-V75 HydrophobicContact CG-CG1 4.43Å; P25-V75 HydrophobicContact CB-CB 4.1Å; P25-V75 HydrophobicContact CB-CG1 3.8Å; P25-V75 HydrophobicContact CG-CB 4.05Å; P25-V75 HydrophobicContact CG-CG1 3.79Å; T33-V75 HydrophobicContact CG2-CG2 4.46Å; D72-V75 HydrophobicContact CB-CB 4.16Å; D72-V75 HydrophobicContact CB-CG2 4.18Å; D72-V75 PolarHBondContact OD1-N 2.91Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.49Å; V75-V78 PolarHBondContact O-N 3.26Å; V75-I79 HydrophobicContact CG1-CD1 3.79Å; V75-I79 HydrophobicContact CG1-CG1 4.5Å; V75-I79 WeakPolarHBondContact O-CD1 3.06Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 2.76Å; V75-I79 VanDerWaalsContact O-N 3.09Å
76L76.8Confident70.2Confident37 Ų3772 Ų7219%0.19442%0.418CS..Hα-helixtrans-61.8-38.9175.3-87-175.6000112.9P25 D71 D72 V78 I79 A80P25-L76 HydrophobicContact CG-CD2 4.25Å; P25-L76 HydrophobicContact CG-CG 4.2Å; D71-L76 HydrophobicContact CB-CD1 3.17Å; D71-L76 HydrophobicContact CB-CD2 4.4Å; D71-L76 HydrophobicContact CB-CG 3.76Å; D72-L76 VanDerWaalsContact O-CB 3.24Å; D72-L76 WeakPolarHBondContact O-CB 3.49Å; D72-L76 WeakPolarHBondContact O-CG 3.02Å; D72-L76 PolarHBondContact O-N 2.74Å; L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 PolarHBondContact O-N 3.48Å; L76-I79 PolarHBondContact O-N 3.05Å; L76-A80 WeakPolarHBondContact O-CB 3.23Å; L76-A80 PolarHBondContact O-N 2.9Å
77A69.1Low68.5Low57 Ų5776.5 Ų76.547%0.47144%0.439SS..Hα-helixtrans-62.1-38.5178.900000111.2P73 E74 V75 A80 I81P73-A77 VanDerWaalsContact O-CB 3.27Å; P73-A77 WeakPolarHBondContact O-CB 3.45Å; P73-A77 PolarHBondContact O-N 3.49Å; E74-A77 PolarHBondContact O-N 3.37Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 3.49Å; A77-A80 PolarHBondContact O-N 2.9Å; A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 2.96Å
78V63.5Low66.9Low39 Ų3978.5 Ų78.524%0.23645%0.449CS..Hα-helixtrans-69.7-37.2176.4-168.60000111.4L9 L10 E74 V75 L76 H83L9-V78 HydrophobicContact CD2-CB 3.97Å; L9-V78 HydrophobicContact CD2-CG1 4.23Å; L9-V78 HydrophobicContact CD2-CG2 3.76Å; L10-V78 HydrophobicContact CD2-CB 4.03Å; L10-V78 HydrophobicContact CD2-CG1 3.62Å; L10-V78 HydrophobicContact CG-CG1 4.39Å; E74-V78 WeakPolarHBondContact O-CG2 3.12Å; E74-V78 PolarHBondContact O-N 3.01Å; V75-V78 PolarHBondContact O-N 3.26Å; L76-V78 VanDerWaalsContact C-N 3.27Å; L76-V78 PolarHBondContact O-N 3.48Å; V78-H83 PolarHBondContact O-NE2 3.43Å
79I66.9Low65.3Low47 Ų4776.8 Ų76.824%0.24145%0.446CS..Hα-helixtrans-74.7-30.7176.3-56.3153.9000112.5L10 Y19 P25 V75 L76 I81L10-I79 HydrophobicContact CD2-CG1 3.81Å; Y19-I79 HydrophobicContact CD2-CD1 3.99Å; Y19-I79 HydrophobicContact CG-CD1 3.92Å; P25-I79 HydrophobicContact CG-CD1 4.05Å; V75-I79 HydrophobicContact CG1-CD1 3.79Å; V75-I79 HydrophobicContact CG1-CG1 4.5Å; V75-I79 WeakPolarHBondContact O-CD1 3.06Å; V75-I79 VanDerWaalsContact O-CG1 3.26Å; V75-I79 WeakPolarHBondContact O-CG1 3.46Å; V75-I79 PolarHBondContact O-N 2.76Å; V75-I79 VanDerWaalsContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.05Å; I79-I81 VanDerWaalsContact C-N 3.35Å
80A60.1Low63.8Low79 Ų7979.7 Ų79.765%0.65346%0.464SS*.Hα-helixtrans-78-21.8-175.500000112.8L76 A77 P82L76-A80 WeakPolarHBondContact O-CB 3.23Å; L76-A80 PolarHBondContact O-N 2.9Å; A77-A80 PolarHBondContact O-N 2.9Å; A80-P82 WeakPolarHBondContact O-CD 3.29Å
81I52.3Low62.1Low112 Ų11282.3 Ų82.357%0.57447%0.467SS*.SBendtrans-75110.7158.2-58.3167.3000103.8A77 I79 H83A77-I81 WeakPolarHBondContact O-CG1 3.48Å; A77-I81 PolarHBondContact O-N 2.96Å; I79-I81 VanDerWaalsContact C-N 3.35Å; I81-H83 PolarHBondContact O-N 3.33Å
82P51.7Low60.6Low101 Ų10184 Ų8466%0.65648%0.476SS*.  trans-56.1109161.324.4-27.2000103.2A80 T84A80-P82 WeakPolarHBondContact O-CD 3.29Å; P82-T84 PolarHBondContact O-N 2.75Å
83H49Very low58.8Low89 Ų8991.5 Ų91.541%0.41251%0.507SS..  trans-47.9110.5159.4-71.4-83.4000102.3L10 V78 I81 S85L10-H83 WeakPolarHBondContact CD1-NE2 3.23Å; V78-H83 PolarHBondContact O-NE2 3.43Å; I81-H83 PolarHBondContact O-N 3.33Å; H83-S85 PolarHBondContact O-N 3.12Å
84T45.6Very low57.3Low129 Ų12990.1 Ų90.179%0.79150%0.495SS*.  trans-63.781.3162.551.80000101.9P82 E86P82-T84 PolarHBondContact O-N 2.75Å; T84-E86 PolarHBondContact O-N 3.09Å; T84-E86 VanDerWaalsContact O-N 3.09Å
85S49.3Very low56.2Low71 Ų7189.5 Ų89.550%0.49750%0.504SS..  trans-46.9124.1154.551.50000102.5H83 H87H83-S85 PolarHBondContact O-N 3.12Å; S85-H87 CarbonylContact O-C 3.02Å; S85-H87 PolarHBondContact O-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.04Å
86E49.3Very low54.8Low166 Ų16693.3 Ų93.378%0.77653%0.532SS*.SBendtrans-52.8-12.2176.6-60.3-172.5156.100111.4T84 I106T84-E86 PolarHBondContact O-N 3.09Å; T84-E86 VanDerWaalsContact O-N 3.09Å; E86-I106 WeakPolarHBondContact O-CD1 3.34Å
87H51.4Low53.5Low95 Ų9599.5 Ų99.544%0.4457%0.565SS.*  trans-87101.9168.9-49.9-67.6000112.2S85 P89S85-H87 CarbonylContact O-C 3.02Å; S85-H87 PolarHBondContact O-N 3.32Å; S85-H87 PolarHBondContact OG-O 3.04Å; H87-P89 WeakPolarHBondContact O-CD 3.19Å
88T50Low52.8Low120 Ų12098.2 Ų98.274%0.73656%0.558SS**PPolyproline II helixtrans-68.3118.2159.845.90000109.3V90T88-V90 PolarHBondContact O-N 3Å
89P51.7Low52.2Low63 Ų63100.4 Ų100.441%0.40957%0.574SS.*PPolyproline II helixtrans-70.8123.6179.229.3-34.5000110.4H87 F91 M101H87-P89 WeakPolarHBondContact O-CD 3.19Å; P89-F91 HydrophobicContact CG-CE2 4.24Å; P89-M101 HydrophobicContact CB-CE 3.43Å; P89-M101 VanDerWaalsContact CB-CE 3.43Å; P89-M101 HydrophobicContact CG-CE 4.16Å
90V56.2Low51.3Low76 Ų76102.6 Ų102.646%0.46158%0.579SS.*EExtended strand (participates in β ladder)trans-85123.5171.6-178.10000108.4T88 I92T88-V90 PolarHBondContact O-N 3Å; V90-I92 HydrophobicContact CG1-CG1 4.3Å
91F52.3Low50.7Low137 Ų137104.8 Ų104.860%0.60158%0.578SS**EExtended strand (participates in β ladder)trans-88.9107.7174.5-68.5-89000109.4P89 M101P89-F91 HydrophobicContact CG-CE2 4.24Å; F91-M101 HydrophobicContact CE1-CG 4.35Å
92I60.5Low50.4Low71 Ų71104 Ų10436%0.36457%0.574SS.*EExtended strand (participates in β ladder)trans-91.3118.8171-56.9176000107.5V90 L94 Y100V90-I92 HydrophobicContact CG1-CG1 4.3Å; I92-L94 HydrophobicContact CG2-CD1 4.4Å; I92-L94 WeakPolarHBondContact O-CD1 3.3Å; I92-Y100 HydrophobicContact CB-CE2 4.14Å; I92-Y100 HydrophobicContact CD1-CE2 3.92Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.43Å; I92-Y100 HydrophobicContact CG1-CE2 4.38Å
93K46.4Very low49.9Very low175 Ų175104.7 Ų104.776%0.76158%0.578SS**EExtended strand (participates in β ladder)trans-84.9117.3176.5-161.7-179.9-175.490.80108.5
94L48.8Very low49.6Very low61 Ų61105.8 Ų105.832%0.31959%0.587SS.*PPolyproline II helixtrans-90154.7177.9-77.787.9000111.1I92 S96 N97 G98 Y100I92-L94 HydrophobicContact CG2-CD1 4.4Å; I92-L94 WeakPolarHBondContact O-CD1 3.3Å; L94-S96 PolarHBondContact O-N 3.34Å; L94-N97 PolarHBondContact O-N 3.47Å; L94-G98 PolarHBondContact N-O 3.44Å; L94-G98 VanDerWaalsContact N-O 3.09Å; L94-Y100 HydrophobicContact CD1-CD1 3.23Å; L94-Y100 HydrophobicContact CD1-CE1 3.16Å; L94-Y100 HydrophobicContact CD1-CG 4.28Å; L94-Y100 HydrophobicContact CD2-CD1 4.29Å; L94-Y100 HydrophobicContact CD2-CE1 3.92Å; L94-Y100 HydrophobicContact CG-CD1 4.36Å; L94-Y100 HydrophobicContact CG-CE1 4.03Å
95P52.8Low49.3Very low140 Ų140105 Ų10591%0.90958%0.584SS**SBendtrans-55.4-21.6179.7-25.133.7000114.4
96S46.6Very low48.8Very low95 Ų95107 Ų10766%0.66459%0.588SS**SBendtrans-106.256.8-179.364.30000112.5L94 G98L94-S96 PolarHBondContact O-N 3.34Å; S96-G98 PolarHBondContact O-N 3.48Å
97N49.9Very low48.3Very low166 Ų166104.3 Ų104.389%0.88859%0.588SS**SBendtrans48.515.9170.2-66-51.8000117.6L94L94-N97 PolarHBondContact O-N 3.47Å
98G54.7Low48Very low31 Ų31108.7 Ų108.732%0.3261%0.605SS.*  trans-104.6141.2-179.700000110.8L94 S96L94-G98 PolarHBondContact N-O 3.44Å; L94-G98 VanDerWaalsContact N-O 3.09Å; S96-G98 PolarHBondContact O-N 3.48Å
99C49.7Very low47.3Very low85 Ų85111.2 Ų111.257%0.57461%0.609SS**EExtended strand (participates in β ladder)trans-115.7123165.9-590000106.9
100Y49.1Very low47Very low93 Ų93119.4 Ų119.437%0.36563%0.632SS.*EExtended strand (participates in β ladder)trans-104.3147.8167.965.4-114.1000109.7I92 L94 L102I92-Y100 HydrophobicContact CB-CE2 4.14Å; I92-Y100 HydrophobicContact CD1-CE2 3.92Å; I92-Y100 WeakPolarHBondContact CD1-OH 3.43Å; I92-Y100 HydrophobicContact CG1-CE2 4.38Å; L94-Y100 HydrophobicContact CD1-CD1 3.23Å; L94-Y100 HydrophobicContact CD1-CE1 3.16Å; L94-Y100 HydrophobicContact CD1-CG 4.28Å; L94-Y100 HydrophobicContact CD2-CD1 4.29Å; L94-Y100 HydrophobicContact CD2-CE1 3.92Å; L94-Y100 HydrophobicContact CG-CD1 4.36Å; L94-Y100 HydrophobicContact CG-CE1 4.03Å; Y100-L102 HydrophobicContact CD2-CB 4.08Å; Y100-L102 HydrophobicContact CD2-CD1 3.35Å; Y100-L102 HydrophobicContact CD2-CG 4.27Å; Y100-L102 HydrophobicContact CE2-CB 3.91Å; Y100-L102 HydrophobicContact CE2-CD1 3.39Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 4.05Å; Y100-L102 HydrophobicContact CG-CD1 4.29Å
101M46.6Very low45.9Very low125 Ų125120.2 Ų120.262%0.61665%0.646SS**EExtended strand (participates in β ladder)trans-94118.6167.9-74.5-170.452.100108.4P89 F91P89-M101 HydrophobicContact CB-CE 3.43Å; P89-M101 VanDerWaalsContact CB-CE 3.43Å; P89-M101 HydrophobicContact CG-CE 4.16Å; F91-M101 HydrophobicContact CE1-CG 4.35Å
102L46.7Very low45.1Very low95 Ų95121.1 Ų121.150%0.49766%0.656SS.*EExtended strand (participates in β ladder)trans-108125.7170.3-122.777.6000109.3Y100 L104Y100-L102 HydrophobicContact CD2-CB 4.08Å; Y100-L102 HydrophobicContact CD2-CD1 3.35Å; Y100-L102 HydrophobicContact CD2-CG 4.27Å; Y100-L102 HydrophobicContact CE2-CB 3.91Å; Y100-L102 HydrophobicContact CE2-CD1 3.39Å; Y100-L102 HydrophobicContact CE2-CD2 4.32Å; Y100-L102 HydrophobicContact CE2-CG 4.05Å; Y100-L102 HydrophobicContact CG-CD1 4.29Å; L102-L104 PolarHBondContact O-N 3.1Å
103P41.6Very low43.8Very low115 Ų115125 Ų12575%0.74768%0.677SS**  trans-72.2110.1167.4-7.122.8000108.6
104L41.4Very low43.6Very low113 Ų113122.3 Ų122.359%0.59268%0.677SS**  trans-87.5126.2167-89152.1000108.7L102L102-L104 PolarHBondContact O-N 3.1Å
105P39.8Very low42.7Very low112 Ų112122.9 Ų122.973%0.72770%0.698SS**  trans-68.4133.1168.527.6-30.2000109.2S107P105-S107 PolarHBondContact O-N 3.2Å
106I38.9Very low41.7Very low112 Ų112122.9 Ų122.957%0.57469%0.69SS**  trans-66.6101.6178.6-70160.5000108.3E86E86-I106 WeakPolarHBondContact O-CD1 3.34Å
107S38.2Very low41.1Very low111 Ų111126.8 Ų126.878%0.77670%0.7SS**  trans-79115.4153.6176.20000107.2P105 E109P105-S107 PolarHBondContact O-N 3.2Å; S107-E109 PolarHBondContact O-N 2.95Å
108K45.8Very low40Very low187 Ų187122.4 Ų122.481%0.81369%0.694SS**  trans-73.9104.9174.5-176.6-179-175173.10108.1
109E36.5Very low39.3Very low172 Ų172127 Ų12780%0.80472%0.72SS**  trans-161.4136.9149.5-15482.2131.100111.1S107S107-E109 PolarHBondContact O-N 2.95Å
110R44.5Very low38.4Very low236 Ų236135 Ų13589%0.89174%0.738SS**  trans-70.6142.4-175.9-64.3166168.7132.8-7.1112.3
111A32.1Very low37.6Very low92 Ų92138.4 Ų138.476%0.7676%0.761SS**  trans-177.8111133.900000113
112L35.6Very low36.8Very low157 Ų157140.3 Ų140.382%0.82277%0.773SS**  trans18.5120.8136.4-77.6119.4000120.7
113L34.1Very low36.7Very low152 Ų152141.5 Ų141.580%0.79679%0.786SS**  153.1159.8109.4-84.6-135.7000116.3
114P42.6Very low35.9Very low119 Ų119139.6 Ų139.677%0.77379%0.788SS**  trans-110.4161.5-144.840.6-31000114.7
115G29Very low35.5Very low72 Ų72139.6 Ų139.674%0.74280%0.797SS**  trans161.9128.1161.100000116.5
116D32.3Very low35.3Very low141 Ų141142.8 Ų142.875%0.75480%0.803SS**  trans81.592.9147.4-97.7-85.1000122.9
117M33.6Very low35.1Very low177 Ų177146 Ų14687%0.87282%0.815SS**  60.8121.7107.8-142.8148.37600120.4
118G28.2Very low34.6Very low73 Ų73150.5 Ų150.575%0.75382%0.821SS**  trans115.698.213300000117.6
119C39.2Very low33.7Very low128 Ų128146.5 Ų146.587%0.86582%0.816SS**  trans-64.4148.2159.5-45.40000111.1
120R30.5Very low33.7Very low254 Ų254144.4 Ų144.496%0.95882%0.815SS**  trans-163.5144131.7-75.6-138.6-175-84.6-3.7111.9
121L33Very low33Very low164 Ų164139.2 Ų139.286%0.85981%0.809SS**  trans-82.4161.4-179.6-70.9143.8000112.9
122L29.7Very low33.1Very low164 Ų164140.4 Ų140.486%0.85981%0.807SS**  trans123.5152.7140.7-67.7-166.9000119.4
123P43.8Very low32.8Very low120 Ų120139.4 Ų139.478%0.77981%0.807SS**  trans-108.4165.1-144.741.6-32.5000114
124G25.1Very low32.5Very low76 Ų76138 Ų13878%0.78481%0.805SS**  trans-172.8114.8174.400000115.3
125S33.7Very low32.1Very low112 Ų112139.2 Ų139.278%0.78380%0.804SS**  trans-40.7147.3159.8160.60000114.9
126Q34Very low32.5Very low180 Ų180141.9 Ų141.984%0.84181%0.808SS**  179.8137.3126.8-93-8930.500112.3
127Q35.9Very low32.5Very low178 Ų178139.3 Ų139.383%0.83281%0.806SS**  trans-81.4-178.8176.5-80.9172.8-52.900112.7
128K28.3Very low32.1Very low207 Ų207138.8 Ų138.890%0.980%0.802SS**  trans88.8140.7171.6-94.2177166.8174.80115
129S26.8Very low32Very low102 Ų102143.4 Ų143.471%0.71380%0.804SS**  cis-163.1151.611.141.90000110.3
130V35.5Very low31.6Very low128 Ų128146 Ų14678%0.77680%0.803SS**  trans-61139.8167.5172.40000110.9
131T29.3Very low31.8Very low127 Ų127139.1 Ų139.178%0.77979%0.791SS**  trans-151.5120.9146.9-49.80000110.4
132V34.8Very low31.4Very low118 Ų118137.6 Ų137.672%0.71578%0.783SS**  trans-85.9135.5167.1163.70000108.1
133V28.6Very low31.3Very low136 Ų136138.3 Ų138.382%0.82478%0.782SS**  trans-149.9139.6146.6-1780000111.2
134T29.2Very low30.3Very low121 Ų121136.5 Ų136.574%0.74279%0.786SS**  trans-64157.9-175.4-42.10000116.5
135I34.5Very low30.2Very low145 Ų145137.1 Ų137.174%0.74479%0.791SS**  trans-64.3163.5165.2-38-179.9000111
136P37Very low29.9Very low128 Ų128136.5 Ų136.583%0.83179%0.793SS**  -146.2165.999.733.2-14000115.9
137A31.8Very low29.9Very low87 Ų87133.4 Ų133.472%0.71979%0.789SS**  trans-78.4161.2178.100000113.6
138E24.6Very low29.5Very low167 Ų167133.4 Ų133.478%0.7879%0.789SS**  165.7154.4121-89.4-128.886.400114.5
139Q27.4Very low29.4Very low170 Ų170132.6 Ų132.679%0.79479%0.788SS**  trans104.8102150.2-74.7153.625.500122.8
140Q29.7Very low29.4Very low182 Ų182132.4 Ų132.485%0.8579%0.793SS**  trans-53173.1152.1-111171.7-64.900114
141P34.2Very low29.1Very low110 Ų110131.2 Ų131.271%0.71480%0.796SS**  -156.4169.358.738.5-15000118.8
142L25.8Very low29Very low132 Ų132133.8 Ų133.869%0.69180%0.8SS**  161.5125109.2-144.974.2000115.4
143Q27.8Very low28.8Very low179 Ų179136.7 Ų136.784%0.83681%0.806SS**  trans53.6141.3148.1-73.9169.945.700122.3
144G22.2Very low28.9Very low82 Ų82138.9 Ų138.985%0.84581%0.807SS**  cis169.7159.32.800000111
145G23.9Very low29.4Very low88 Ų88141.3 Ų141.391%0.90781%0.81SS**  trans123.8114.2162.100000117.6
146A26.3Very low29.2Very low100 Ų100140.9 Ų140.983%0.82681%0.809SS**  trans-126.2171.1164.700000107.4
147P34.7Very low29.7Very low115 Ų115144.9 Ų144.975%0.74781%0.807SS**  cis-147.6154.639.836.6-13.1000119.3
148Q27.8Very low30.2Very low177 Ų177151.3 Ų151.383%0.82781%0.813SS**  47.9124.2129.2-147.5154.8-28.100122
149E26Very low30.9Very low190 Ų190147.2 Ų147.289%0.88882%0.816SS**  173.9161.5113.3-87.8-169.7159.300113.5
150A27.1Very low32.2Very low99 Ų99144.2 Ų144.282%0.81881%0.809SS**  trans-83.7159.7-157.300000117.1
151A28.9Very low33.2Very low102 Ų102142.2 Ų142.284%0.84381%0.809SS**  trans-179.5155.4138.800000112.2
152E27.2Very low34.1Very low181 Ų181145.9 Ų145.985%0.84681%0.813SS**  trans-92.1168.7-157.5-60.4159.4133.300115.2
153E31.1Very low35.4Very low180 Ų180143.5 Ų143.584%0.84181%0.808SS**  trans48.9129.8155-70.3-162.4119.300121.9
154E30.6Very low36.9Very low182 Ų182140.2 Ų140.285%0.8581%0.805SS**  -163.3112.6113.9-163.9149.9100.100111.6
155Q39Very low38.7Very low172 Ų172141.7 Ų141.780%0.80480%0.797SS**  trans-95.397.3166.4179.1179.917.200107.6
156D31.2Very low40.4Very low136 Ų136147.2 Ų147.273%0.72779%0.791SS**  trans-106.4103.4169.5-169.934.5000112.3
157R46.6Very low42.5Very low211 Ų211146.1 Ų146.180%0.79678%0.777SS**  trans-82.5116.2157.5-85.5172.273.4157.92.3107.6
158R41.1Very low44.7Very low222 Ų222142.3 Ų142.384%0.83876%0.759SS**  -178.4109123.1-106.4160.8-175.1-103.32.2114.2
159G39.9Very low47.5Very low82 Ų82138 Ų13885%0.84574%0.744SS**  trans-13884.2150.300000108.6V161G159-V161 PolarHBondContact O-N 3.21Å
160V56.2Low50.3Low107 Ų107131.7 Ų131.765%0.64872%0.72SS**  trans-77.1114.8175.1169.30000108.9
161V50.4Low53.3Low140 Ų140130.4 Ų130.485%0.84870%0.703SS**  trans-129.9119.2146179.90000107.8G159 S163G159-V161 PolarHBondContact O-N 3.21Å; V161-S163 PolarHBondContact O-N 3.34Å
162K51.4Low56.4Low186 Ų186130.3 Ų130.381%0.80969%0.691SS**  trans-60.6118.3-174.2-72.9160.9171.1170.10111.8
163S54.9Low59.6Low83 Ų83126.2 Ų126.258%0.5867%0.674SS**  trans-110.16.8171.661.40000114.3V161 T165 W166 S167V161-S163 PolarHBondContact O-N 3.34Å; S163-T165 PolarHBondContact O-N 3.36Å; S163-T165 VanDerWaalsContact O-N 3.15Å; S163-W166 VanDerWaalsContact O-CB 3.29Å; S163-W166 WeakPolarHBondContact O-CB 3.33Å; S163-W166 PolarHBondContact O-N 2.87Å; S163-S167 PolarHBondContact O-N 3.25Å
164S58.7Low62.6Low109 Ų109122.6 Ų122.676%0.76266%0.66SS**Hα-helixtrans-61.1-28-175.4-57.60000114.3
165T60.5Low65.7Low113 Ų113118.1 Ų118.169%0.69365%0.645SS**Hα-helixtrans-80-23.9173.642.80000113.3S163 G168 V169S163-T165 PolarHBondContact O-N 3.36Å; S163-T165 VanDerWaalsContact O-N 3.15Å; T165-G168 PolarHBondContact O-N 3.42Å; T165-V169 VanDerWaalsContact O-CG2 3.27Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å; T165-V169 PolarHBondContact O-N 3.39Å
166W58.8Low68.5Low205 Ų205112.1 Ų112.178%0.77763%0.625SS**Hα-helixtrans-68.6-38.7178.4-173.4-90.1000112S163 C170S163-W166 VanDerWaalsContact O-CB 3.29Å; S163-W166 WeakPolarHBondContact O-CB 3.33Å; S163-W166 PolarHBondContact O-N 2.87Å; W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.4Å; W166-C170 PolarHBondContact O-N 2.89Å
167S70.6Confident71.6Confident77 Ų77109.2 Ų109.254%0.53862%0.615SS.*Hα-helixtrans-65.3-43.8176.6-174.80000111.7S163 C170 T171S163-S167 PolarHBondContact O-N 3.25Å; S167-C170 WeakPolarHBondContact O-CB 3.05Å; S167-C170 PolarHBondContact O-N 3.24Å; S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.18Å; S167-T171 PolarHBondContact O-OG1 3.46Å
168G80.3Confident74Confident34 Ų34103.2 Ų103.235%0.35160%0.601SS.*Hα-helixtrans-66.5-40.5177.900000113.4T165 C170 T171 V172T165-G168 PolarHBondContact O-N 3.42Å; G168-C170 VanDerWaalsContact C-N 3.34Å; G168-T171 WeakPolarHBondContact CA-OG1 3.38Å; G168-T171 PolarHBondContact O-N 2.82Å; G168-T171 PolarHBondContact O-OG1 2.83Å; G168-V172 VanDerWaalsContact O-CG2 3.24Å; G168-V172 WeakPolarHBondContact O-CG2 3.48Å; G168-V172 PolarHBondContact O-N 2.91Å
169V86.6Confident76.7Confident86 Ų8697.4 Ų97.452%0.52159%0.586SS.*Hα-helixtrans-65.7-40.6175.5173.30000110.6T165 V172 I173T165-V169 VanDerWaalsContact O-CG2 3.27Å; T165-V169 WeakPolarHBondContact O-CG2 3.3Å; T165-V169 PolarHBondContact O-N 3.39Å; V169-V172 PolarHBondContact O-N 3.37Å; V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.35Å; V169-I173 WeakPolarHBondContact O-CB 3.48Å; V169-I173 WeakPolarHBondContact O-CD1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.35Å; V169-I173 PolarHBondContact O-N 3.41Å
170C85.9Confident79.5Confident58 Ų5898.3 Ų98.339%0.39258%0.575SS.*Hα-helixtrans-60.5-46.5175.2-172.60000111.8W166 S167 G168 V172 I173 L174W166-C170 VanDerWaalsContact O-CB 3.29Å; W166-C170 WeakPolarHBondContact O-CB 3.4Å; W166-C170 PolarHBondContact O-N 2.89Å; S167-C170 WeakPolarHBondContact O-CB 3.05Å; S167-C170 PolarHBondContact O-N 3.24Å; G168-C170 VanDerWaalsContact C-N 3.34Å; C170-V172 PolarHBondContact O-N 2.88Å; C170-I173 PolarHBondContact O-N 3.47Å; C170-L174 WeakPolarHBondContact O-CB 3.46Å; C170-L174 VanDerWaalsContact O-CG 3.23Å; C170-L174 WeakPolarHBondContact O-CG 3.28Å; C170-L174 PolarHBondContact O-N 2.65Å
171T89.4Confident81.4Confident73 Ų73100 Ų10045%0.44857%0.574SS.*Hα-helixtrans-66-39.817955.70000112.3S167 G168 L174 V175S167-T171 WeakPolarHBondContact O-CG2 3.45Å; S167-T171 PolarHBondContact O-N 3.18Å; S167-T171 PolarHBondContact O-OG1 3.46Å; G168-T171 WeakPolarHBondContact CA-OG1 3.38Å; G168-T171 PolarHBondContact O-N 2.82Å; G168-T171 PolarHBondContact O-OG1 2.83Å; T171-L174 PolarHBondContact O-N 3.44Å; T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 VanDerWaalsContact O-CG2 3.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.09Å
172V94.8Very high83.7Confident99 Ų9997.7 Ų97.760%0.656%0.557SS**Hα-helixtrans-62.9-43.8175.7172.40000111.1G168 V169 C170 V175 A176G168-V172 VanDerWaalsContact O-CG2 3.24Å; G168-V172 WeakPolarHBondContact O-CG2 3.48Å; G168-V172 PolarHBondContact O-N 2.91Å; V169-V172 PolarHBondContact O-N 3.37Å; C170-V172 PolarHBondContact O-N 2.88Å; V172-V175 PolarHBondContact O-N 2.87Å; V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.21Å
173I94.3Very high85.8Confident95 Ų9594 Ų9449%0.48755%0.545SS..Hα-helixtrans-63.4-45.6176.6-68.3167.3000110.5V169 C170 V175 A176 C177V169-I173 HydrophobicContact CG1-CD1 3.65Å; V169-I173 HydrophobicContact CG1-CG1 4.35Å; V169-I173 WeakPolarHBondContact O-CB 3.48Å; V169-I173 WeakPolarHBondContact O-CD1 3.31Å; V169-I173 WeakPolarHBondContact O-CG1 3.35Å; V169-I173 PolarHBondContact O-N 3.41Å; C170-I173 PolarHBondContact O-N 3.47Å; I173-V175 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 2.77Å; I173-C177 WeakPolarHBondContact O-CB 3.49Å; I173-C177 PolarHBondContact O-N 2.08Å; I173-C177 PolarHBondContact O-SG 3.08Å
174L93.9Very high87.8Confident104 Ų10491.8 Ų91.855%0.54554%0.535SS..Hα-helixtrans-61.8-45.1178.7-71.4174.6000111.8C170 T171 C177 V178C170-L174 WeakPolarHBondContact O-CB 3.46Å; C170-L174 VanDerWaalsContact O-CG 3.23Å; C170-L174 WeakPolarHBondContact O-CG 3.28Å; C170-L174 PolarHBondContact O-N 2.65Å; T171-L174 PolarHBondContact O-N 3.44Å; L174-C177 PolarHBondContact O-N 3.36Å; L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.02Å
175V96.4Very high89.6Confident88 Ų8890.5 Ų90.553%0.53352%0.519SS..Hα-helixtrans-62.4-44.8176.5171.80000110.5T171 V172 I173 C177 V178 L179T171-V175 WeakPolarHBondContact O-CB 3.39Å; T171-V175 VanDerWaalsContact O-CG2 3.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 3.09Å; V172-V175 PolarHBondContact O-N 2.87Å; I173-V175 PolarHBondContact O-N 3.21Å; V175-C177 PolarHBondContact O-N 3.4Å; V175-V178 PolarHBondContact O-N 2.72Å; V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.39Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 3.34Å
176A96.8Very high91.3Very high47 Ų4789.1 Ų89.139%0.38851%0.51SS..Hα-helixtrans-59.6-44.917600000111.9V172 I173 V178 L179 V180V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 2.77Å; A176-V178 PolarHBondContact O-N 3Å; A176-L179 PolarHBondContact O-N 3.05Å; A176-V180 WeakPolarHBondContact O-CG2 3.21Å; A176-V180 PolarHBondContact O-N 2.93Å
177C96.8Very high92.9Very high75 Ų7584.6 Ų84.651%0.50750%0.501SS..Hα-helixtrans-60.6-44.1176.1-72.50000112.3I173 L174 V175 V180 F181I173-C177 WeakPolarHBondContact O-CB 3.49Å; I173-C177 PolarHBondContact O-N 2.08Å; I173-C177 PolarHBondContact O-SG 3.08Å; L174-C177 PolarHBondContact O-N 3.36Å; V175-C177 PolarHBondContact O-N 3.4Å; C177-V180 PolarHBondContact O-N 3.43Å; C177-F181 WeakPolarHBondContact O-CB 3.17Å; C177-F181 PolarHBondContact O-N 2.95Å
178V97.3Very high93.8Very high85 Ų8587.1 Ų87.152%0.51550%0.504SS..Hα-helixtrans-62.6-44.9177.1171.10000110.7L174 V175 A176 F181 L182L174-V178 VanDerWaalsContact O-CG2 3.32Å; L174-V178 WeakPolarHBondContact O-CG2 3.48Å; L174-V178 PolarHBondContact O-N 3.02Å; V175-V178 PolarHBondContact O-N 2.72Å; A176-V178 PolarHBondContact O-N 3Å; V178-F181 PolarHBondContact O-N 2.94Å; V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.27Å; V178-L182 PolarHBondContact O-N 3.48Å
179L97.6Very high94.2Very high99 Ų9988.9 Ų88.952%0.51851%0.505SS..Hα-helixtrans-62.6-44.6178.2-69.1175.2000111.9V175 A176 F181 L182 L183V175-L179 HydrophobicContact CG1-CD1 4.06Å; V175-L179 HydrophobicContact CG1-CG 4.39Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 3.34Å; A176-L179 PolarHBondContact O-N 3.05Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.29Å; L179-L182 PolarHBondContact O-N 3.32Å; L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.94Å
180V97.3Very high94.3Very high102 Ų10289.1 Ų89.162%0.61850%0.502SS*.Hα-helixtrans-62.3-41.4176.2171.60000111.1A176 C177 L183 G184A176-V180 WeakPolarHBondContact O-CG2 3.21Å; A176-V180 PolarHBondContact O-N 2.93Å; C177-V180 PolarHBondContact O-N 3.43Å; V180-L183 PolarHBondContact O-N 2.93Å; V180-G184 PolarHBondContact O-N 2.94Å
181F97.8Very high94.4Very high143 Ų14389 Ų8963%0.62750%0.502SS*.Hα-helixtrans-64.5-44.6177.3-175.2-105.7000112.2C177 V178 L179 G184 I185C177-F181 WeakPolarHBondContact O-CB 3.17Å; C177-F181 PolarHBondContact O-N 2.95Å; V178-F181 PolarHBondContact O-N 2.94Å; L179-F181 VanDerWaalsContact C-N 3.33Å; L179-F181 PolarHBondContact O-N 3.29Å; F181-G184 WeakPolarHBondContact O-CA 3.49Å; F181-G184 PolarHBondContact O-N 3.28Å; F181-I185 HydrophobicContact CD1-CD1 3.68Å; F181-I185 HydrophobicContact CD1-CG1 4.48Å; F181-I185 HydrophobicContact CE1-CD1 3.31Å; F181-I185 HydrophobicContact CE1-CG1 4.23Å; F181-I185 HydrophobicContact CZ-CD1 3.87Å; F181-I185 HydrophobicContact CZ-CG1 4.41Å; F181-I185 WeakPolarHBondContact O-CG1 3.33Å; F181-I185 PolarHBondContact O-N 3.45Å
182L97.2Very high93.9Very high91 Ų9187.9 Ų87.948%0.47650%0.496SS..Hα-helixtrans-63-43.1175.6-69.6177.5000111.7V178 L179 G184 I185 V186V178-L182 HydrophobicContact CG1-CD1 4.02Å; V178-L182 HydrophobicContact CG1-CG 4.34Å; V178-L182 WeakPolarHBondContact O-CB 3.4Å; V178-L182 VanDerWaalsContact O-CG 3.29Å; V178-L182 WeakPolarHBondContact O-CG 3.27Å; V178-L182 PolarHBondContact O-N 3.48Å; L179-L182 PolarHBondContact O-N 3.32Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.32Å; L182-I185 PolarHBondContact O-N 3.48Å; L182-V186 WeakPolarHBondContact O-CG2 3.3Å; L182-V186 PolarHBondContact O-N 3.46Å
183L97.1Very high92.8Very high107 Ų10786 Ų8656%0.5648%0.482SS*.Hα-helixtrans-60.3-41.7172.6-73.5171.5000111.1L179 V180 I185 V186 L187L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 2.94Å; V180-L183 PolarHBondContact O-N 2.93Å; L183-I185 PolarHBondContact O-N 2.93Å; L183-V186 PolarHBondContact O-N 2.77Å; L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.37Å; L183-L187 PolarHBondContact O-N 3.25Å
184G96.4Very high91.6Very high37 Ų3784.7 Ų84.738%0.38148%0.481SS..Hα-helixtrans-58.8-45.117400000112.5V180 F181 L182 L187 H188V180-G184 PolarHBondContact O-N 2.94Å; F181-G184 WeakPolarHBondContact O-CA 3.49Å; F181-G184 PolarHBondContact O-N 3.28Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.32Å; G184-L187 PolarHBondContact O-N 2.86Å; G184-H188 WeakPolarHBondContact O-CB 3.42Å; G184-H188 PolarHBondContact O-N 3.35Å
185I96.2Very high90.2Very high83 Ų8386.7 Ų86.743%0.42649%0.486SS..Hα-helixtrans-62.3-45.8175.3-68.9167.1000111F181 L182 L183 H188 N189F181-I185 HydrophobicContact CD1-CD1 3.68Å; F181-I185 HydrophobicContact CD1-CG1 4.48Å; F181-I185 HydrophobicContact CE1-CD1 3.31Å; F181-I185 HydrophobicContact CE1-CG1 4.23Å; F181-I185 HydrophobicContact CZ-CD1 3.87Å; F181-I185 HydrophobicContact CZ-CG1 4.41Å; F181-I185 WeakPolarHBondContact O-CG1 3.33Å; F181-I185 PolarHBondContact O-N 3.45Å; L182-I185 PolarHBondContact O-N 3.48Å; L183-I185 PolarHBondContact O-N 2.93Å; I185-H188 PolarHBondContact O-N 2.89Å; I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.32Å; I185-N189 PolarHBondContact O-N 2.9Å
186V95.8Very high88.7Confident84 Ų8488.7 Ų88.751%0.50948%0.483SS..Hα-helixtrans-65.4-45.1-179.9172.50000110.7L182 L183 N189 M190L182-V186 WeakPolarHBondContact O-CG2 3.3Å; L182-V186 PolarHBondContact O-N 3.46Å; L183-V186 PolarHBondContact O-N 2.77Å; V186-N189 WeakPolarHBondContact O-CB 3.44Å; V186-N189 PolarHBondContact O-N 3.34Å; V186-M190 HydrophobicContact CG1-CG 4.32Å; V186-M190 WeakPolarHBondContact O-CB 3.23Å; V186-M190 VanDerWaalsContact O-CG 3.25Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.32Å
187L91.8Very high86.8Confident110 Ų11093.2 Ų93.258%0.57649%0.494SS*.Hα-helixtrans-66.9-37.7177.3-71.2175000112.1L183 G184 M190 S191L183-L187 VanDerWaalsContact O-CB 3.29Å; L183-L187 WeakPolarHBondContact O-CB 3.45Å; L183-L187 VanDerWaalsContact O-CG 3.23Å; L183-L187 WeakPolarHBondContact O-CG 3.37Å; L183-L187 PolarHBondContact O-N 3.25Å; G184-L187 PolarHBondContact O-N 2.86Å; L187-M190 PolarHBondContact O-N 3.28Å; L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.41Å
188H90.6Very high85Confident130 Ų13094.5 Ų94.560%0.60250%0.5SS*.Hα-helixtrans-63.2-46.3172.1-179.5-94.7000110.2G184 I185 M190 S191 C192G184-H188 WeakPolarHBondContact O-CB 3.42Å; G184-H188 PolarHBondContact O-N 3.35Å; I185-H188 PolarHBondContact O-N 2.89Å; H188-M190 PolarHBondContact O-N 2.89Å; H188-S191 PolarHBondContact O-N 3.29Å; H188-C192 PolarHBondContact CE1-SG 3.35Å; H188-C192 VanDerWaalsContact O-CB 3.31Å; H188-C192 WeakPolarHBondContact O-CB 3.43Å; H188-C192 PolarHBondContact O-N 3Å; H188-C192 PolarHBondContact O-SG 2.96Å
189N89.1Confident83Confident70 Ų7096 Ų9637%0.37451%0.51SS..Hα-helixtrans-60.7-47.3176.4-171.3-98.4000111.8I185 V186 S191 C192 I193I185-N189 VanDerWaalsContact O-CB 3.23Å; I185-N189 WeakPolarHBondContact O-CB 3.32Å; I185-N189 PolarHBondContact O-N 2.9Å; V186-N189 WeakPolarHBondContact O-CB 3.44Å; V186-N189 PolarHBondContact O-N 3.34Å; N189-S191 VanDerWaalsContact C-N 3.34Å; N189-S191 PolarHBondContact O-N 2.95Å; N189-C192 PolarHBondContact O-N 3.4Å; N189-I193 VanDerWaalsContact O-CB 3.29Å; N189-I193 WeakPolarHBondContact O-CB 3.23Å; N189-I193 WeakPolarHBondContact O-CD1 3.49Å; N189-I193 WeakPolarHBondContact O-CG1 3.44Å; N189-I193 PolarHBondContact O-N 2.99Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.24Å
190M89Confident81.1Confident92 Ų9297.5 Ų97.545%0.45352%0.517SS..Hα-helixtrans-62.6-38.7175.1-72.7-65.7103.600112.1V186 L187 H188 I193 S194V186-M190 HydrophobicContact CG1-CG 4.32Å; V186-M190 WeakPolarHBondContact O-CB 3.23Å; V186-M190 VanDerWaalsContact O-CG 3.25Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.32Å; L187-M190 PolarHBondContact O-N 3.28Å; H188-M190 PolarHBondContact O-N 2.89Å; M190-I193 HydrophobicContact CE-CD1 3.95Å; M190-I193 PolarHBondContact O-N 2.93Å; M190-S194 VanDerWaalsContact O-CB 3.22Å; M190-S194 WeakPolarHBondContact O-CB 3.2Å; M190-S194 PolarHBondContact O-N 3.33Å; M190-S194 PolarHBondContact O-OG 2.99Å
191S86.7Confident79Confident56 Ų5697.7 Ų97.739%0.39252%0.522SS..Hα-helixtrans-70.9-40.8177.4-65.30000112.3L187 H188 N189 I193 K195L187-S191 WeakPolarHBondContact O-CB 3.31Å; L187-S191 PolarHBondContact O-N 3.49Å; L187-S191 PolarHBondContact O-OG 3.41Å; H188-S191 PolarHBondContact O-N 3.29Å; N189-S191 VanDerWaalsContact C-N 3.34Å; N189-S191 PolarHBondContact O-N 2.95Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-K195 WeakPolarHBondContact O-CB 3.5Å; S191-K195 WeakPolarHBondContact O-CG 3.27Å; S191-K195 PolarHBondContact O-N 3.26Å
192C78.9Confident76.7Confident49 Ų4996.8 Ų96.833%0.33153%0.533SS..Hα-helixtrans-65.2-36.5173.9-700000111.6H188 N189 R196H188-C192 PolarHBondContact CE1-SG 3.35Å; H188-C192 VanDerWaalsContact O-CB 3.31Å; H188-C192 WeakPolarHBondContact O-CB 3.43Å; H188-C192 PolarHBondContact O-N 3Å; H188-C192 PolarHBondContact O-SG 2.96Å; N189-C192 PolarHBondContact O-N 3.4Å; C192-R196 WeakPolarHBondContact O-CG 3.29Å; C192-R196 PolarHBondContact O-N 3.45Å
193I71Confident74Confident60 Ų6099.4 Ų99.431%0.30858%0.581SS.*Hα-helixtrans-73.3-46.5176.8-72.3167.6000110.5N189 M190 S191 K195 R196 F197N189-I193 VanDerWaalsContact O-CB 3.29Å; N189-I193 WeakPolarHBondContact O-CB 3.23Å; N189-I193 WeakPolarHBondContact O-CD1 3.49Å; N189-I193 WeakPolarHBondContact O-CG1 3.44Å; N189-I193 PolarHBondContact O-N 2.99Å; N189-I193 WeakPolarHBondContact OD1-CD1 3.24Å; M190-I193 HydrophobicContact CE-CD1 3.95Å; M190-I193 PolarHBondContact O-N 2.93Å; S191-I193 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.49Å; I193-R196 WeakPolarHBondContact O-CB 3.49Å; I193-R196 PolarHBondContact O-N 2.93Å; I193-F197 HydrophobicContact CG2-CD2 3.72Å; I193-F197 HydrophobicContact CG2-CE2 3.42Å; I193-F197 VanDerWaalsContact CG2-CE2 3.42Å; I193-F197 WeakPolarHBondContact O-CD2 3.5Å; I193-F197 PolarHBondContact O-N 3.09Å
194S69.6Low72.9Confident66 Ų6699 Ų9946%0.46258%0.582SS.*Hα-helixtrans-61.7-43.3-180-59.20000111.4M190 R196 F197 T198M190-S194 VanDerWaalsContact O-CB 3.22Å; M190-S194 WeakPolarHBondContact O-CB 3.2Å; M190-S194 PolarHBondContact O-N 3.33Å; M190-S194 PolarHBondContact O-OG 2.99Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.06Å; S194-F197 PolarHBondContact O-N 3.45Å; S194-F197 VanDerWaalsContact O-N 3.08Å; S194-T198 PolarHBondContact O-N 2.99Å; S194-T198 PolarHBondContact O-OG1 2.72Å
195K65.8Low71.7Confident147 Ų147102.3 Ų102.364%0.63959%0.593SS**Hα-helixtrans-61.3-29.9174.4-76.8-175.6175.678.60113.3S191 I193 V199S191-K195 WeakPolarHBondContact O-CB 3.5Å; S191-K195 WeakPolarHBondContact O-CG 3.27Å; S191-K195 PolarHBondContact O-N 3.26Å; I193-K195 PolarHBondContact O-N 3.49Å; K195-V199 WeakPolarHBondContact O-CG2 3.41Å
196R64.8Low70.3Confident129 Ų129103.3 Ų103.349%0.48760%0.602SS.*Hα-helixtrans-72.2-32.6174.1-75.8-174.7-173.3169.210.4112.7C54 C192 I193 S194 I200C54-R196 PolarHBondContact O-NH1 3.08Å; C54-R196 VanDerWaalsContact O-NH1 3.15Å; C192-R196 WeakPolarHBondContact O-CG 3.29Å; C192-R196 PolarHBondContact O-N 3.45Å; I193-R196 WeakPolarHBondContact O-CB 3.49Å; I193-R196 PolarHBondContact O-N 2.93Å; S194-R196 VanDerWaalsContact C-N 3.25Å; S194-R196 PolarHBondContact O-N 3.06Å; R196-I200 WeakPolarHBondContact O-CD1 3.4Å; R196-I200 WeakPolarHBondContact O-CG1 3.29Å
197F57.1Low68.8Low142 Ų142104.5 Ų104.562%0.62361%0.608SS**Hα-helixtrans-79.8-33.5179.4-74.2-66.8000113.1I193 S194 V199 I200 S201I193-F197 HydrophobicContact CG2-CD2 3.72Å; I193-F197 HydrophobicContact CG2-CE2 3.42Å; I193-F197 VanDerWaalsContact CG2-CE2 3.42Å; I193-F197 WeakPolarHBondContact O-CD2 3.5Å; I193-F197 PolarHBondContact O-N 3.09Å; S194-F197 PolarHBondContact O-N 3.45Å; S194-F197 VanDerWaalsContact O-N 3.08Å; F197-V199 VanDerWaalsContact C-N 3.27Å; F197-V199 PolarHBondContact O-N 3.38Å; F197-I200 PolarHBondContact O-N 3.15Å; F197-S201 PolarHBondContact O-N 3.45Å
198T57.3Low67.4Low102 Ų102104.1 Ų104.163%0.62661%0.61SS**Hα-helixtrans-66.2-29.3178.7-26.70000112.8S194 I200S194-T198 PolarHBondContact O-N 2.99Å; S194-T198 PolarHBondContact O-OG1 2.72Å; T198-I200 VanDerWaalsContact C-N 3.33Å
199V56.5Low65.8Low118 Ų118102.4 Ų102.472%0.71561%0.61SS**THydrogen-bonded Turntrans-74.4-22.4178.51780000112.5K195 F197K195-V199 WeakPolarHBondContact O-CG2 3.41Å; F197-V199 VanDerWaalsContact C-N 3.27Å; F197-V199 PolarHBondContact O-N 3.38Å
200I56.6Low64.1Low129 Ų129104.7 Ų104.766%0.66263%0.627SS**THydrogen-bonded Turntrans-89.2-21.7-178.1-54.7166.2000111.7R196 F197 T198R196-I200 WeakPolarHBondContact O-CD1 3.4Å; R196-I200 WeakPolarHBondContact O-CG1 3.29Å; F197-I200 PolarHBondContact O-N 3.15Å; T198-I200 VanDerWaalsContact C-N 3.33Å
201S54.3Low62.2Low106 Ų106105.7 Ų105.774%0.74164%0.64SS**SBendtrans-90.21.7-174.9-161.90000114.9F197F197-S201 PolarHBondContact O-N 3.45Å
202C49.3Very low60.2Low125 Ų125109.8 Ų109.885%0.84566%0.661SS**  trans-112.875.6171.4-103.80000109
203G41.4Very low58.5Low145 Ų145115.4 Ų115.4100%1.49569%0.691SS**  trans-174.30177.300000110.9

Retrieved 203 of 203 residues in 77.2 ms (Link to these results)