A0A077ZFU6_TRITR Loading...

Regulator of G protein signaling loco

AlphaFold DB , UniProt , Accession A0A077ZFU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 673 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
1M37.5Very low50Low250 Ų250136.3 Ų136.3100%1.23268%0.678SS**  0104.90-70.9178.4164.100108
2K37.4Very low53.3Low215 Ų215129.8 Ų129.894%0.93565%0.652SS**PPolyproline II helixtrans-77.9128.9177.7-82.7-177.3173.3-176.70108.9
3K33.5Very low56.2Low197 Ų197121.5 Ų121.586%0.85761%0.612SS**PPolyproline II helixtrans-68.2135.9175.3-170.5177.6-178.7-177.80108.8E5K3-E5 PolarHBondContact O-N 3.13Å
4P39.4Very low58.7Low115 Ų115120.9 Ų120.975%0.74761%0.61SS**PPolyproline II helixtrans-63.8126.817924.5-31.1000110.2
5E33.7Very low60.8Low195 Ų195112.9 Ų112.991%0.91157%0.57SS**PPolyproline II helixtrans-60.7128.7173.5-89174.4139.500110.1K3K3-E5 PolarHBondContact O-N 3.13Å
6Q37Very low62.5Low138 Ų138115.9 Ų115.965%0.64558%0.578SS**PPolyproline II helixtrans-76.8136.4173.7-71.9-159.3-16.400110.1E8Q6-E8 PolarHBondContact O-N 3.07Å
7P46.1Very low63.9Low90 Ų90117.1 Ų117.158%0.58458%0.575SS**PPolyproline II helixtrans-62.7131.4178.424.3-31.8000111G9 L10P7-G9 PolarHBondContact O-N 2.97Å; P7-L10 HydrophobicContact CG-CB 4.25Å; P7-L10 HydrophobicContact CG-CD2 4.13Å; P7-L10 WeakPolarHBondContact O-CB 3.06Å; P7-L10 PolarHBondContact O-N 2.9Å
8E51.7Low64.8Low162 Ų162112.9 Ų112.976%0.75757%0.566SS**THydrogen-bonded Turntrans-55.1118.4-173-63.2-171.315600112.9Q6 Q89Q6-E8 PolarHBondContact O-N 3.07Å; E8-Q89 PolarHBondContact O-NE2 3.07Å; E8-Q89 VanDerWaalsContact O-NE2 3.08Å
9G67.5Low65.4Low31 Ų31113.8 Ų113.832%0.3258%0.584SS.*THydrogen-bonded Turntrans103.4-6.8176.600000115.4P7 Q86 T87P7-G9 PolarHBondContact O-N 2.97Å; G9-Q86 WeakPolarHBondContact O-CA 3.03Å; G9-T87 PolarHBondContact O-N 3.29Å
10L79.8Confident65.7Low52 Ų52118.1 Ų118.127%0.27260%0.598SS.*EExtended strand (participates in β ladder)trans-81.7130.4170-150.977.7000109.9P7 I55 T84 V85 Q86P7-L10 HydrophobicContact CG-CB 4.25Å; P7-L10 HydrophobicContact CG-CD2 4.13Å; P7-L10 WeakPolarHBondContact O-CB 3.06Å; P7-L10 PolarHBondContact O-N 2.9Å; L10-I55 HydrophobicContact CD1-CB 4.33Å; L10-I55 HydrophobicContact CD1-CG1 3.79Å; L10-I55 HydrophobicContact CD1-CG2 4.27Å; L10-T84 HydrophobicContact CD1-CG2 4.15Å; L10-T84 HydrophobicContact CD2-CG2 3.89Å; L10-T84 HydrophobicContact CG-CG2 3.77Å; L10-V85 WeakPolarHBondContact CA-O 2.85Å; L10-Q86 HydrophobicContact CD1-CB 4.11Å; L10-Q86 HydrophobicContact CD1-CG 4.47Å
11R86.9Confident66.5Low54 Ų54113.5 Ų113.520%0.20458%0.581CS.*EExtended strand (participates in β ladder)trans-134.4136.2172.267.4-176.4173.7-78.922110.5G47 D52 T84 V85 T87R11-G47 PolarHBondContact NE-O 2.85Å; R11-D52 IonicContact CZ-OD1 3.35Å; R11-D52 IonicContact CZ-OD2 3.75Å; R11-D52 IonicContact NE-OD2 2.64Å; R11-D52 IonicContact NH1-OD1 3.95Å; R11-D52 IonicContact NH2-OD1 2.6Å; R11-D52 PolarHBondContact NH2-OD1 3.12Å; R11-D52 IonicContact NH2-OD2 3.47Å; R11-D52 PolarHBondContact NH2-OD2 3.26Å; R11-T84 CarbonylContact O-C 3.6Å; R11-T84 WeakPolarHBondContact O-CA 3.32Å; R11-V85 HydrophobicContact CG-CG2 3.46Å; R11-V85 VanDerWaalsContact CG-CG2 3.46Å; R11-V85 PolarHBondContact N-O 2.92Å; R11-V85 PolarHBondContact O-N 3.28Å; R11-T87 PolarHBondContact NH1-OG1 2.84Å
12T89.7Confident68.9Low59 Ų59102.3 Ų102.336%0.36253%0.525SS..EExtended strand (participates in β ladder)trans-107.2129.2170.6-57.60000108.9E82 I83 T84T12-E82 HydrophobicContact CG2-CG 3.41Å; T12-E82 VanDerWaalsContact CG2-CG 3.41Å; T12-E82 WeakPolarHBondContact CG2-OE1 3.14Å; T12-I83 WeakPolarHBondContact CA-O 3.47Å; T12-T84 WeakPolarHBondContact OG1-CG2 3.46Å; T12-T84 PolarHBondContact OG1-OG1 3.44Å
13V91Very high71.2Confident22 Ų2292.6 Ų92.613%0.13349%0.486CS..EExtended strand (participates in β ladder)trans-128138.7179.4-58.40000110.3L15 A46 L48 I83V13-L15 HydrophobicContact CG2-CD2 4.21Å; V13-L15 HydrophobicContact CG2-CG 4.49Å; V13-A46 HydrophobicContact CB-CB 4.18Å; V13-A46 WeakPolarHBondContact CG1-O 3.34Å; V13-A46 HydrophobicContact CG2-CB 4.25Å; V13-L48 HydrophobicContact CG2-CD1 4.09Å; V13-L48 HydrophobicContact CG2-CD2 3.62Å; V13-L48 HydrophobicContact CG2-CG 3.81Å; V13-I83 HydrophobicContact CG2-CG2 3.42Å; V13-I83 VanDerWaalsContact CG2-CG2 3.42Å; V13-I83 PolarHBondContact N-O 3.27Å; V13-I83 PolarHBondContact O-N 2.78Å
14L90.7Very high73.8Confident112 Ų11284.2 Ų84.259%0.58645%0.45SS*.EExtended strand (participates in β ladder)trans-96.8114.5176.6-174.369.8000109.3E82L14-E82 HydrophobicContact CD1-CB 4.08Å
15L90.7Very high75.9Confident1 Ų181.1 Ų81.11%0.00543%0.43CS..EExtended strand (participates in β ladder)trans-96.4130.6179.4-56.6179.8000110.4V13 F22 F24 A46 L48 T80 L81 I83V13-L15 HydrophobicContact CG2-CD2 4.21Å; V13-L15 HydrophobicContact CG2-CG 4.49Å; L15-F22 HydrophobicContact CB-CD1 3.76Å; L15-F22 HydrophobicContact CB-CE1 4.38Å; L15-F22 HydrophobicContact CD1-CB 4.17Å; L15-F24 HydrophobicContact CD1-CD1 3.78Å; L15-F24 HydrophobicContact CD1-CE1 3.45Å; L15-F24 VanDerWaalsContact CD1-CE1 3.45Å; L15-A46 HydrophobicContact CD2-CB 3.2Å; L15-L48 HydrophobicContact CD1-CD1 3.83Å; L15-L48 HydrophobicContact CD2-CD1 4.21Å; L15-L48 HydrophobicContact CG-CD1 4.49Å; L15-T80 CarbonylContact O-C 3.58Å; L15-T80 VanDerWaalsContact O-CA 3.27Å; L15-T80 WeakPolarHBondContact O-CA 3.31Å; L15-L81 HydrophobicContact CB-CB 4.48Å; L15-L81 HydrophobicContact CD1-CD2 4.35Å; L15-L81 PolarHBondContact N-O 3.38Å; L15-L81 PolarHBondContact O-N 3.14Å; L15-I83 HydrophobicContact CD1-CG2 3.8Å; L15-I83 HydrophobicContact CG-CG2 4.03Å
16K87.2Confident78.2Confident161 Ų16173 Ų7370%0.739%0.392SS*.EExtended strand (participates in β ladder)trans-91.6131166.1-67.7-176.1178.5179.70109.4G18 A42 T80K16-G18 PolarHBondContact O-N 3.23Å; K16-A42 WeakPolarHBondContact O-CB 3.31Å; K16-T80 HydrophobicContact CG-CG2 4.44Å
17R86.9Confident79.9Confident137 Ų13767.3 Ų67.352%0.51737%0.369SS..PPolyproline II helixtrans-64.7121.3-179.3-167.6170.6179.2174.11.5110F22 G78 S79R17-F22 HydrophobicContact CB-CD1 4.16Å; R17-F22 HydrophobicContact CB-CE1 3.67Å; R17-F22 HydrophobicContact CB-CZ 3.98Å; R17-F22 HydrophobicContact CG-CE1 4.28Å; R17-F22 HydrophobicContact CG-CZ 4.26Å; R17-G78 WeakPolarHBondContact CD-O 3.44Å; R17-G78 PolarHBondContact NH1-O 2.92Å; R17-S79 WeakPolarHBondContact CB-O 3.18Å; R17-S79 PolarHBondContact N-O 2.93Å
18G80.5Confident80.6Confident41 Ų4170.8 Ų70.842%0.42338%0.378SS..BIsolated β-bridgetrans-89.6-177174.100000112.4K16 K20 G21K16-G18 PolarHBondContact O-N 3.23Å; G18-K20 PolarHBondContact O-N 3.46Å; G18-K20 VanDerWaalsContact O-N 3.13Å; G18-G21 PolarHBondContact N-O 3.11Å; G18-G21 PolarHBondContact O-N 2.81Å
19S74.7Confident81Confident130 Ų13065.5 Ų65.591%0.90935%0.353SS*.THydrogen-bonded Turntrans-59.8-23.3178.654.30000114.2
20K71.3Confident80.7Confident199 Ų19968.6 Ų68.687%0.86536%0.356SS*.THydrogen-bonded Turntrans-111.924.7177.6-60.1-174.4179.7-177.40112.9G18G18-K20 PolarHBondContact O-N 3.46Å; G18-K20 VanDerWaalsContact O-N 3.13Å
21G84.3Confident80Confident23 Ų2367.9 Ų67.924%0.23735%0.354CS..BIsolated β-bridgetrans86.7-153.5-174.900000112.9G18 G23G18-G21 PolarHBondContact N-O 3.11Å; G18-G21 PolarHBondContact O-N 2.81Å; G21-G23 VanDerWaalsContact C-N 3.33Å
22F88Confident79.4Confident15 Ų1565.5 Ų65.57%0.06635%0.345CS..THydrogen-bonded Turntrans-81.3-9.8-178.4-63.4-71.3000114L15 R17 F24 A43 V74 S77 L81L15-F22 HydrophobicContact CB-CD1 3.76Å; L15-F22 HydrophobicContact CB-CE1 4.38Å; L15-F22 HydrophobicContact CD1-CB 4.17Å; R17-F22 HydrophobicContact CB-CD1 4.16Å; R17-F22 HydrophobicContact CB-CE1 3.67Å; R17-F22 HydrophobicContact CB-CZ 3.98Å; R17-F22 HydrophobicContact CG-CE1 4.28Å; R17-F22 HydrophobicContact CG-CZ 4.26Å; F22-F24 HydrophobicContact CB-CD1 3.85Å; F22-F24 HydrophobicContact CB-CE1 3.37Å; F22-F24 HydrophobicContact CB-CZ 4.16Å; F22-F24 HydrophobicContact CG-CE1 4.21Å; F22-A43 WeakPolarHBondContact O-CB 3.49Å; F22-A43 PolarHBondContact O-N 2.83Å; F22-V74 HydrophobicContact CD2-CG1 3.81Å; F22-V74 HydrophobicContact CE2-CG1 3.96Å; F22-S77 WeakPolarHBondContact CZ-O 3.08Å; F22-L81 HydrophobicContact CD1-CB 3.94Å; F22-L81 HydrophobicContact CD2-CB 4.35Å; F22-L81 HydrophobicContact CD2-CD2 4.05Å; F22-L81 HydrophobicContact CE1-CB 3.5Å; F22-L81 HydrophobicContact CE2-CB 3.96Å; F22-L81 HydrophobicContact CE2-CD2 4.29Å; F22-L81 HydrophobicContact CG-CB 4.35Å; F22-L81 HydrophobicContact CG-CD2 4.2Å; F22-L81 HydrophobicContact CZ-CB 3.52Å
23G84.4Confident79Confident10 Ų1064.5 Ų64.510%0.10334%0.34CS..SBendtrans81.522.4172.200000115.7G21 H38 A43G21-G23 VanDerWaalsContact C-N 3.33Å; G23-H38 VanDerWaalsContact C-ND1 3.31Å; G23-H38 WeakPolarHBondContact O-CB 3.28Å; G23-H38 PolarHBondContact O-N 2.76Å; G23-H38 PolarHBondContact O-ND1 3.27Å; G23-H38 VanDerWaalsContact O-ND1 3.11Å; G23-A43 WeakPolarHBondContact O-CB 3.34Å
24F88Confident78.7Confident22 Ų2263.5 Ų63.510%0.09633%0.334CS..EExtended strand (participates in β ladder)trans-133.1168.5171.163.9-98.7000110.8L15 F22 F26 L34 A36 A43 L48 V74 L81L15-F24 HydrophobicContact CD1-CD1 3.78Å; L15-F24 HydrophobicContact CD1-CE1 3.45Å; L15-F24 VanDerWaalsContact CD1-CE1 3.45Å; F22-F24 HydrophobicContact CB-CD1 3.85Å; F22-F24 HydrophobicContact CB-CE1 3.37Å; F22-F24 HydrophobicContact CB-CZ 4.16Å; F22-F24 HydrophobicContact CG-CE1 4.21Å; F24-F26 HydrophobicContact CD2-CE1 4.23Å; F24-F26 HydrophobicContact CD2-CE2 4.44Å; F24-F26 HydrophobicContact CD2-CZ 4.2Å; F24-F26 HydrophobicContact CE2-CD1 4.35Å; F24-F26 HydrophobicContact CE2-CD2 4.14Å; F24-F26 AromaticContact CE2-CE1 3.72Å; F24-F26 HydrophobicContact CE2-CE1 3.72Å; F24-F26 AromaticContact CE2-CE2 3.52Å; F24-F26 HydrophobicContact CE2-CE2 3.52Å; F24-F26 AromaticContact CE2-CZ 3.29Å; F24-F26 HydrophobicContact CE2-CZ 3.29Å; F24-F26 HydrophobicContact CZ-CE2 4.3Å; F24-F26 AromaticContact CZ-CZ 3.91Å; F24-F26 HydrophobicContact CZ-CZ 3.91Å; F24-L34 HydrophobicContact CB-CD2 4.3Å; F24-L34 HydrophobicContact CD2-CD2 3.76Å; F24-L34 HydrophobicContact CE2-CD2 4.45Å; F24-L34 HydrophobicContact CG-CD2 4.13Å; F24-A36 CarbonylContact C-O 3.55Å; F24-A36 VanDerWaalsContact CA-O 3.24Å; F24-A36 WeakPolarHBondContact CA-O 3.48Å; F24-A43 HydrophobicContact CB-CB 3.78Å; F24-A43 HydrophobicContact CD1-CB 3.84Å; F24-A43 HydrophobicContact CG-CB 4.3Å; F24-L48 HydrophobicContact CD1-CD1 4.37Å; F24-V74 HydrophobicContact CZ-CG1 4.44Å; F24-V74 HydrophobicContact CZ-CG2 4.44Å; F24-L81 HydrophobicContact CE1-CD2 3.77Å; F24-L81 HydrophobicContact CZ-CD2 3.58Å
25S82.9Confident78.2Confident49 Ų4960.9 Ų60.934%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-133.8142171.4-56.50000109.7L34 S35 A36S25-L34 CarbonylContact O-C 3.48Å; S25-L34 WeakPolarHBondContact O-CA 3.29Å; S25-S35 PolarHBondContact O-N 3.23Å; S25-S35 PolarHBondContact O-OG 2.9Å; S25-S35 VanDerWaalsContact O-OG 3.08Å; S25-A36 PolarHBondContact N-O 3.47Å; S25-A36 PolarHBondContact O-N 3.44Å
26F82.4Confident77.8Confident24 Ų2462.6 Ų62.611%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-85.2155.1174-60-67.6000110.7F24 C33 L34 S35 V54 L57 I70 V74 I83F24-F26 HydrophobicContact CD2-CE1 4.23Å; F24-F26 HydrophobicContact CD2-CE2 4.44Å; F24-F26 HydrophobicContact CD2-CZ 4.2Å; F24-F26 HydrophobicContact CE2-CD1 4.35Å; F24-F26 HydrophobicContact CE2-CD2 4.14Å; F24-F26 AromaticContact CE2-CE1 3.72Å; F24-F26 HydrophobicContact CE2-CE1 3.72Å; F24-F26 AromaticContact CE2-CE2 3.52Å; F24-F26 HydrophobicContact CE2-CE2 3.52Å; F24-F26 AromaticContact CE2-CZ 3.29Å; F24-F26 HydrophobicContact CE2-CZ 3.29Å; F24-F26 HydrophobicContact CZ-CE2 4.3Å; F24-F26 AromaticContact CZ-CZ 3.91Å; F24-F26 HydrophobicContact CZ-CZ 3.91Å; F26-C33 CarbonylContact C-O 3.58Å; F26-C33 WeakPolarHBondContact CA-O 3.43Å; F26-L34 HydrophobicContact CD1-CD2 3.82Å; F26-L34 HydrophobicContact CE1-CD2 3.82Å; F26-S35 VanDerWaalsContact C-OG 3.26Å; F26-S35 PolarHBondContact O-OG 3.02Å; F26-V54 HydrophobicContact CD1-CG2 3.82Å; F26-V54 HydrophobicContact CE1-CB 4.4Å; F26-V54 HydrophobicContact CE1-CG1 4.2Å; F26-V54 HydrophobicContact CE1-CG2 3.56Å; F26-L57 HydrophobicContact CZ-CD1 4.01Å; F26-L57 HydrophobicContact CZ-CD2 4.41Å; F26-I70 HydrophobicContact CD1-CG2 4.32Å; F26-I70 HydrophobicContact CD2-CG2 3.57Å; F26-I70 HydrophobicContact CE1-CG2 4.09Å; F26-I70 HydrophobicContact CE2-CG2 3.25Å; F26-I70 HydrophobicContact CG-CG2 4.08Å; F26-I70 HydrophobicContact CZ-CG2 3.53Å; F26-V74 HydrophobicContact CE2-CG2 3.76Å; F26-V74 HydrophobicContact CZ-CG2 3.9Å; F26-I83 HydrophobicContact CE1-CD1 4.46Å
27A72.2Confident77.7Confident20 Ų2056.4 Ų56.417%0.16532%0.315CS..  trans-76.2143.316100000109.6Q29 C33 H67A27-Q29 PolarHBondContact O-N 3.04Å; A27-C33 PolarHBondContact N-O 2.97Å; A27-H67 PolarHBondContact O-ND1 2.84Å
28E62.6Low77.6Confident163 Ų16354.9 Ų54.976%0.76231%0.314SS*.SBendtrans-76.730.6175.5-65-178172.900112.6
29Q59.9Low77.4Confident50 Ų5057.1 Ų57.123%0.23433%0.328CS..SBendtrans-133.6149.3-175.6-66.3-172.6-28.700111.1A27 P31 S32A27-Q29 PolarHBondContact O-N 3.04Å; Q29-P31 CarbonylContact O-C 3.5Å; Q29-P31 VanDerWaalsContact O-O 3.04Å; Q29-S32 VanDerWaalsContact O-CA 3.32Å; Q29-S32 WeakPolarHBondContact O-CA 3.1Å; Q29-S32 PolarHBondContact O-N 2.99Å
30Y61.2Low77.7Confident97 Ų9760 Ų6038%0.3832%0.324SS..SBendtrans-92.4133.8170.9171.6-90.3000109.6Q63 K64Y30-Q63 WeakPolarHBondContact CD2-O 3.24Å; Y30-Q63 VanDerWaalsContact CE2-C 3.48Å; Y30-Q63 WeakPolarHBondContact CE2-O 3.35Å; Y30-K64 HydrophobicContact CE2-CB 4.44Å; Y30-K64 HydrophobicContact CE2-CG 4.32Å
31P65.1Low78.3Confident37 Ų3751.3 Ų51.324%0.2429%0.292CS..SBendcis-68.4142.3-4.129.3-35.1000112.1Q29 C33 I53Q29-P31 CarbonylContact O-C 3.5Å; Q29-P31 VanDerWaalsContact O-O 3.04Å; P31-C33 PolarHBondContact O-N 3.18Å; P31-C33 VanDerWaalsContact O-N 3.08Å; P31-I53 HydrophobicContact CB-CG2 4.1Å
32S73Confident78.5Confident3 Ų351.3 Ų51.32%0.02129%0.289CS..  trans-69107.6-176.5-65.50000110.5Q29 V54 I70Q29-S32 VanDerWaalsContact O-CA 3.32Å; Q29-S32 WeakPolarHBondContact O-CA 3.1Å; Q29-S32 PolarHBondContact O-N 2.99Å; S32-V54 VanDerWaalsContact O-CB 3.31Å; S32-V54 WeakPolarHBondContact O-CB 3.27Å; S32-V54 VanDerWaalsContact O-CG2 3.25Å; S32-V54 WeakPolarHBondContact O-CG2 3.42Å; S32-V54 PolarHBondContact O-N 3.34Å; S32-I70 WeakPolarHBondContact OG-CD1 3.49Å
33C82.9Confident78.5Confident38 Ų3850.6 Ų50.626%0.25729%0.286SS..BIsolated β-bridgetrans-106.8158.3176.266.50000112F26 A27 P31 S35 D52F26-C33 CarbonylContact C-O 3.58Å; F26-C33 WeakPolarHBondContact CA-O 3.43Å; A27-C33 PolarHBondContact N-O 2.97Å; P31-C33 PolarHBondContact O-N 3.18Å; P31-C33 VanDerWaalsContact O-N 3.08Å; C33-S35 PolarHBondContact O-N 2.95Å; C33-D52 CarbonylContact C-O 3.45Å; C33-D52 WeakPolarHBondContact CA-O 3.33Å; C33-D52 WeakPolarHBondContact CB-O 3.4Å
34L82.9Confident78.7Confident1 Ų152.5 Ų52.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-72.6112171.7-60-175.3000109.5F24 S25 F26 V37 L48 G51 D52 V54 I83F24-L34 HydrophobicContact CB-CD2 4.3Å; F24-L34 HydrophobicContact CD2-CD2 3.76Å; F24-L34 HydrophobicContact CE2-CD2 4.45Å; F24-L34 HydrophobicContact CG-CD2 4.13Å; S25-L34 CarbonylContact O-C 3.48Å; S25-L34 WeakPolarHBondContact O-CA 3.29Å; F26-L34 HydrophobicContact CD1-CD2 3.82Å; F26-L34 HydrophobicContact CE1-CD2 3.82Å; L34-V37 HydrophobicContact CB-CG2 4.44Å; L34-V37 HydrophobicContact CD1-CG2 4.28Å; L34-L48 HydrophobicContact CD1-CB 3.79Å; L34-L48 HydrophobicContact CD1-CD1 4.01Å; L34-L48 HydrophobicContact CD1-CD2 4.17Å; L34-L48 HydrophobicContact CD1-CG 4.21Å; L34-G51 PolarHBondContact O-N 3.05Å; L34-D52 HydrophobicContact CB-CB 4.5Å; L34-D52 HydrophobicContact CD1-CB 3.95Å; L34-D52 HydrophobicContact CG-CB 4.14Å; L34-D52 PolarHBondContact N-O 3.01Å; L34-V54 HydrophobicContact CD2-CG2 3.93Å; L34-V54 HydrophobicContact CG-CG2 4.3Å; L34-I83 HydrophobicContact CD2-CD1 4.4Å
35S81.9Confident78.6Confident58 Ų5858.2 Ų58.241%0.40633%0.329SS..EExtended strand (participates in β ladder)trans-81.5-31.3-179.4620000112.7S25 F26 C33 V50S25-S35 PolarHBondContact O-N 3.23Å; S25-S35 PolarHBondContact O-OG 2.9Å; S25-S35 VanDerWaalsContact O-OG 3.08Å; F26-S35 VanDerWaalsContact C-OG 3.26Å; F26-S35 PolarHBondContact O-OG 3.02Å; C33-S35 PolarHBondContact O-N 2.95Å; S35-V50 WeakPolarHBondContact O-CG1 3.24Å
36A81.8Confident78.8Confident37 Ų3757.5 Ų57.531%0.30633%0.326SS..EExtended strand (participates in β ladder)trans-147.5143.1177.100000110.5F24 S25F24-A36 CarbonylContact C-O 3.55Å; F24-A36 VanDerWaalsContact CA-O 3.24Å; F24-A36 WeakPolarHBondContact CA-O 3.48Å; S25-A36 PolarHBondContact N-O 3.47Å; S25-A36 PolarHBondContact O-N 3.44Å
37V85.2Confident78.9Confident30 Ų3058.2 Ų58.218%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-125.7118.2171.1179.20000106.9L34 A39 A43 V50L34-V37 HydrophobicContact CB-CG2 4.44Å; L34-V37 HydrophobicContact CD1-CG2 4.28Å; V37-A39 PolarHBondContact O-N 2.98Å; V37-A43 HydrophobicContact CG1-CB 3.88Å; V37-V50 HydrophobicContact CB-CG2 4.15Å; V37-V50 HydrophobicContact CG2-CG2 4.04Å
38H83.6Confident79.6Confident105 Ų10557.5 Ų57.549%0.48633%0.333SS..  trans-71.8125.8-175.7-6680.4000109.8G23 K40 G41 S44G23-H38 VanDerWaalsContact C-ND1 3.31Å; G23-H38 WeakPolarHBondContact O-CB 3.28Å; G23-H38 PolarHBondContact O-N 2.76Å; G23-H38 PolarHBondContact O-ND1 3.27Å; G23-H38 VanDerWaalsContact O-ND1 3.11Å; H38-K40 PolarHBondContact O-N 3.18Å; H38-G41 PolarHBondContact O-N 3.42Å; H38-S44 VanDerWaalsContact O-CB 3.31Å; H38-S44 WeakPolarHBondContact O-CB 3.25Å
39A78.2Confident80.7Confident88 Ų8858.3 Ų58.373%0.72733%0.329SS*.THydrogen-bonded Turntrans-54.2131.3175.300000110.5V37 G41V37-A39 PolarHBondContact O-N 2.98Å; A39-G41 PolarHBondContact O-N 3.33Å
40K80.2Confident81.8Confident190 Ų19060.3 Ų60.383%0.82635%0.345SS*.THydrogen-bonded Turntrans63.48.8-176.1-50.6178.9179.5179.90115.3H38H38-K40 PolarHBondContact O-N 3.18Å
41G84Confident82.7Confident17 Ų1757.2 Ų57.218%0.17534%0.343CS..SBendtrans-78.2166.4171.600000112.6H38 A39 A43 S44 L45H38-G41 PolarHBondContact O-N 3.42Å; A39-G41 PolarHBondContact O-N 3.33Å; G41-A43 VanDerWaalsContact C-N 3.25Å; G41-A43 PolarHBondContact O-N 3.04Å; G41-S44 PolarHBondContact O-N 3.34Å; G41-L45 WeakPolarHBondContact O-CG 3.46Å; G41-L45 PolarHBondContact O-N 3.33Å
42A87.9Confident83.7Confident23 Ų2355.6 Ų55.619%0.1933%0.332CS..Hα-helixtrans-55.5-39.4-179.300000112.8K16 L45 A46K16-A42 WeakPolarHBondContact O-CB 3.31Å; A42-L45 PolarHBondContact O-N 2.87Å; A42-A46 WeakPolarHBondContact O-CB 3.37Å; A42-A46 PolarHBondContact O-N 2.91Å
43A88.8Confident84.2Confident0 Ų057.5 Ų57.50%034%0.341CS..Hα-helixtrans-58.5-47.9173.400000113.8F22 G23 F24 V37 G41 A46 G47 L48F22-A43 WeakPolarHBondContact O-CB 3.49Å; F22-A43 PolarHBondContact O-N 2.83Å; G23-A43 WeakPolarHBondContact O-CB 3.34Å; F24-A43 HydrophobicContact CB-CB 3.78Å; F24-A43 HydrophobicContact CD1-CB 3.84Å; F24-A43 HydrophobicContact CG-CB 4.3Å; V37-A43 HydrophobicContact CG1-CB 3.88Å; G41-A43 VanDerWaalsContact C-N 3.25Å; G41-A43 PolarHBondContact O-N 3.04Å; A43-A46 PolarHBondContact O-N 3.34Å; A43-G47 PolarHBondContact O-N 3.46Å; A43-L48 HydrophobicContact CB-CB 4.36Å; A43-L48 HydrophobicContact CB-CD1 4.03Å; A43-L48 WeakPolarHBondContact O-CB 3.39Å; A43-L48 PolarHBondContact O-N 3.35Å
44S87.7Confident84.5Confident51 Ų5155.7 Ų55.736%0.35733%0.329SS..Hα-helixtrans-65.2-41.9179.6177.10000111.1H38 G41 A46 G47H38-S44 VanDerWaalsContact O-CB 3.31Å; H38-S44 WeakPolarHBondContact O-CB 3.25Å; G41-S44 PolarHBondContact O-N 3.34Å; S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.84Å; S44-G47 PolarHBondContact O-N 3.27Å
45L86.6Confident84.8Confident142 Ų14256.4 Ų56.474%0.74333%0.333SS*.Hα-helixtrans-67.3-27.9178-67173.2000112.9G41 A42 G47G41-L45 WeakPolarHBondContact O-CG 3.46Å; G41-L45 PolarHBondContact O-N 3.33Å; A42-L45 PolarHBondContact O-N 2.87Å; L45-G47 VanDerWaalsContact C-N 3.32Å
46A86.4Confident85.3Confident34 Ų3454.3 Ų54.328%0.28132%0.319SS..THydrogen-bonded Turntrans-85.60.1175.800000113.9V13 L15 A42 A43 S44V13-A46 HydrophobicContact CB-CB 4.18Å; V13-A46 WeakPolarHBondContact CG1-O 3.34Å; V13-A46 HydrophobicContact CG2-CB 4.25Å; L15-A46 HydrophobicContact CD2-CB 3.2Å; A42-A46 WeakPolarHBondContact O-CB 3.37Å; A42-A46 PolarHBondContact O-N 2.91Å; A43-A46 PolarHBondContact O-N 3.34Å; S44-A46 VanDerWaalsContact C-N 3.28Å; S44-A46 PolarHBondContact O-N 2.84Å
47G84.5Confident85.8Confident38 Ų3852.5 Ų52.539%0.39230%0.304SS..THydrogen-bonded Turntrans83.818.6176.900000115.3R11 A43 S44 L45R11-G47 PolarHBondContact NE-O 2.85Å; A43-G47 PolarHBondContact O-N 3.46Å; S44-G47 PolarHBondContact O-N 3.27Å; L45-G47 VanDerWaalsContact C-N 3.32Å
48L88.2Confident86Confident6 Ų654.2 Ų54.23%0.03131%0.312CS..  trans-73.6144.1168-64.2177.5000110.6V13 L15 F24 L34 A43 I83 V85V13-L48 HydrophobicContact CG2-CD1 4.09Å; V13-L48 HydrophobicContact CG2-CD2 3.62Å; V13-L48 HydrophobicContact CG2-CG 3.81Å; L15-L48 HydrophobicContact CD1-CD1 3.83Å; L15-L48 HydrophobicContact CD2-CD1 4.21Å; L15-L48 HydrophobicContact CG-CD1 4.49Å; F24-L48 HydrophobicContact CD1-CD1 4.37Å; L34-L48 HydrophobicContact CD1-CB 3.79Å; L34-L48 HydrophobicContact CD1-CD1 4.01Å; L34-L48 HydrophobicContact CD1-CD2 4.17Å; L34-L48 HydrophobicContact CD1-CG 4.21Å; A43-L48 HydrophobicContact CB-CB 4.36Å; A43-L48 HydrophobicContact CB-CD1 4.03Å; A43-L48 WeakPolarHBondContact O-CB 3.39Å; A43-L48 PolarHBondContact O-N 3.35Å; L48-I83 HydrophobicContact CD1-CD1 4.32Å; L48-I83 HydrophobicContact CD1-CG2 3.85Å; L48-I83 HydrophobicContact CD2-CG2 4.38Å; L48-V85 HydrophobicContact CD2-CB 4.44Å; L48-V85 HydrophobicContact CD2-CG1 3.85Å; L48-V85 HydrophobicContact CD2-CG2 3.64Å
49R85.1Confident86.2Confident179 Ų17952.3 Ų52.368%0.67532%0.321SS*.  trans-126.5152.2-178-60.2-172.5-175.9-157.51.7110.3G51 D52R49-G51 PolarHBondContact O-N 3.3Å; R49-D52 PolarHBondContact N-OD2 3.11Å; R49-D52 WeakPolarHBondContact O-CB 3.39Å; R49-D52 PolarHBondContact O-N 3.49Å
50V83.5Confident86.6Confident93 Ų9351.1 Ų51.156%0.56431%0.305SS*.THydrogen-bonded Turntrans-62.2132.1170.6179.30000108.6S35 V37S35-V50 WeakPolarHBondContact O-CG1 3.24Å; V37-V50 HydrophobicContact CB-CG2 4.15Å; V37-V50 HydrophobicContact CG2-CG2 4.04Å
51G78.6Confident87Confident32 Ų3247 Ų4733%0.3329%0.291SS..THydrogen-bonded Turntrans95-6-176.500000115.4L34 R49 I53L34-G51 PolarHBondContact O-N 3.05Å; R49-G51 PolarHBondContact O-N 3.3Å; G51-I53 PolarHBondContact O-N 2.85Å
52D86.1Confident87.1Confident2 Ų246.1 Ų46.11%0.01128%0.283CS..PPolyproline II helixtrans-60.7131.6170.7-74.8-18000111.1R11 C33 L34 R49 V85R11-D52 IonicContact CZ-OD1 3.35Å; R11-D52 IonicContact CZ-OD2 3.75Å; R11-D52 IonicContact NE-OD2 2.64Å; R11-D52 IonicContact NH1-OD1 3.95Å; R11-D52 IonicContact NH2-OD1 2.6Å; R11-D52 PolarHBondContact NH2-OD1 3.12Å; R11-D52 IonicContact NH2-OD2 3.47Å; R11-D52 PolarHBondContact NH2-OD2 3.26Å; C33-D52 CarbonylContact C-O 3.45Å; C33-D52 WeakPolarHBondContact CA-O 3.33Å; C33-D52 WeakPolarHBondContact CB-O 3.4Å; L34-D52 HydrophobicContact CB-CB 4.5Å; L34-D52 HydrophobicContact CD1-CB 3.95Å; L34-D52 HydrophobicContact CG-CB 4.14Å; L34-D52 PolarHBondContact N-O 3.01Å; R49-D52 PolarHBondContact N-OD2 3.11Å; R49-D52 WeakPolarHBondContact O-CB 3.39Å; R49-D52 PolarHBondContact O-N 3.49Å; D52-V85 HydrophobicContact CB-CB 3.98Å; D52-V85 HydrophobicContact CB-CG1 4.24Å; D52-V85 HydrophobicContact CB-CG2 4.13Å
53I84.9Confident86.8Confident43 Ų4348.7 Ų48.722%0.22129%0.291CS..EExtended strand (participates in β ladder)trans-85.9126.6176.3-58.5173.8000108.2P31 G51 I55 V85 Q86P31-I53 HydrophobicContact CB-CG2 4.1Å; G51-I53 PolarHBondContact O-N 2.85Å; I53-I55 HydrophobicContact CG2-CD1 4.1Å; I53-V85 CarbonylContact O-C 3.46Å; I53-V85 WeakPolarHBondContact O-CA 3.39Å; I53-V85 WeakPolarHBondContact O-CB 3.32Å; I53-Q86 PolarHBondContact N-O 2.89Å; I53-Q86 PolarHBondContact O-N 3.28Å
54V88.5Confident86.1Confident0 Ų053.3 Ų53.30%031%0.311CS..EExtended strand (participates in β ladder)trans-83.3120.2-178-1720000108.6F26 S32 L34 L57 V62 I83F26-V54 HydrophobicContact CD1-CG2 3.82Å; F26-V54 HydrophobicContact CE1-CB 4.4Å; F26-V54 HydrophobicContact CE1-CG1 4.2Å; F26-V54 HydrophobicContact CE1-CG2 3.56Å; S32-V54 VanDerWaalsContact O-CB 3.31Å; S32-V54 WeakPolarHBondContact O-CB 3.27Å; S32-V54 VanDerWaalsContact O-CG2 3.25Å; S32-V54 WeakPolarHBondContact O-CG2 3.42Å; S32-V54 PolarHBondContact O-N 3.34Å; L34-V54 HydrophobicContact CD2-CG2 3.93Å; L34-V54 HydrophobicContact CG-CG2 4.3Å; V54-L57 HydrophobicContact CG1-CD1 4.4Å; V54-L57 HydrophobicContact CG1-CD2 4.09Å; V54-L57 HydrophobicContact CG1-CG 4.04Å; V54-V62 HydrophobicContact CB-CG2 4.4Å; V54-V62 HydrophobicContact CG1-CG2 3.59Å; V54-I83 HydrophobicContact CG1-CD1 4.15Å; V54-I83 HydrophobicContact CG1-CG1 4.16Å; V54-I83 HydrophobicContact CG2-CD1 4.4Å
55I89.5Confident85.6Confident17 Ų1751.9 Ų51.99%0.08730%0.302CS..EExtended strand (participates in β ladder)trans-100.1-51.1-175.8-55-64.8000109.8L10 I53 V62 Q63 T84 Q86L10-I55 HydrophobicContact CD1-CB 4.33Å; L10-I55 HydrophobicContact CD1-CG1 3.79Å; L10-I55 HydrophobicContact CD1-CG2 4.27Å; I53-I55 HydrophobicContact CG2-CD1 4.1Å; I55-V62 PolarHBondContact O-N 2.6Å; I55-Q63 HydrophobicContact CB-CG 4.49Å; I55-Q63 HydrophobicContact CD1-CG 4.06Å; I55-Q63 VanDerWaalsContact CD1-NE2 3.3Å; I55-Q63 HydrophobicContact CG2-CG 4.22Å; I55-Q63 VanDerWaalsContact CG2-NE2 3.31Å; I55-Q63 PolarHBondContact O-N 2.92Å; I55-T84 WeakPolarHBondContact CA-O 3.41Å; I55-T84 HydrophobicContact CB-CG2 4.16Å; I55-T84 WeakPolarHBondContact CB-O 3.42Å; I55-T84 HydrophobicContact CG2-CG2 4.39Å; I55-T84 PolarHBondContact N-O 2.83Å; I55-Q86 HydrophobicContact CD1-CB 3.9Å; I55-Q86 HydrophobicContact CG1-CB 3.91Å
56A91.5Very high85.1Confident13 Ų1348.5 Ų48.511%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-142.2152.5179.600000112.3V60 T84A56-V60 CarbonylContact C-O 3.47Å; A56-V60 WeakPolarHBondContact CA-O 3.41Å; A56-V60 WeakPolarHBondContact CB-O 3.42Å; A56-T84 PolarHBondContact N-O 2.96Å; A56-T84 VanDerWaalsContact N-O 3.16Å; A56-T84 PolarHBondContact O-N 3.41Å
57L92.2Very high84.7Confident0 Ų049.9 Ų49.90%029%0.291CS..EExtended strand (participates in β ladder)trans-130119.9174.4-67.5172.7000109.7F26 V54 G59 V60 V62 I70 I73 V74 L81 E82 I83F26-L57 HydrophobicContact CZ-CD1 4.01Å; F26-L57 HydrophobicContact CZ-CD2 4.41Å; V54-L57 HydrophobicContact CG1-CD1 4.4Å; V54-L57 HydrophobicContact CG1-CD2 4.09Å; V54-L57 HydrophobicContact CG1-CG 4.04Å; L57-G59 VanDerWaalsContact C-N 3.25Å; L57-G59 PolarHBondContact O-N 3.41Å; L57-V60 PolarHBondContact N-O 3.35Å; L57-V60 WeakPolarHBondContact O-CB 3.4Å; L57-V60 PolarHBondContact O-N 2.81Å; L57-V62 HydrophobicContact CB-CG1 4.12Å; L57-V62 HydrophobicContact CD1-CG1 4.09Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; L57-V62 HydrophobicContact CG-CG1 4.21Å; L57-V62 HydrophobicContact CG-CG2 3.94Å; L57-I70 HydrophobicContact CD1-CB 4.46Å; L57-I70 HydrophobicContact CD1-CG2 3.77Å; L57-I73 HydrophobicContact CB-CG2 3.68Å; L57-I73 HydrophobicContact CD1-CG2 4.48Å; L57-V74 HydrophobicContact CD1-CG2 3.88Å; L57-V74 HydrophobicContact CD2-CG2 4.44Å; L57-L81 HydrophobicContact CB-CD1 4.39Å; L57-L81 HydrophobicContact CD2-CD1 3.99Å; L57-L81 HydrophobicContact CD2-CD2 4.25Å; L57-L81 HydrophobicContact CD2-CG 4.41Å; L57-E82 CarbonylContact C-O 3.52Å; L57-E82 WeakPolarHBondContact CA-O 3.38Å; L57-I83 HydrophobicContact CD2-CB 3.75Å; L57-I83 HydrophobicContact CD2-CD1 3.76Å; L57-I83 HydrophobicContact CD2-CG1 3.5Å; L57-I83 VanDerWaalsContact CD2-CG1 3.5Å
58N90.8Very high84.7Confident66 Ų6657.1 Ų57.135%0.35331%0.306SS..THydrogen-bonded Turntrans50.341.9-173.7-58.5-34.8000113.2V60 S77 E82N58-V60 PolarHBondContact O-N 2.83Å; N58-S77 WeakPolarHBondContact ND2-CB 3.43Å; N58-E82 PolarHBondContact N-O 3.04Å; N58-E82 PolarHBondContact OD1-N 2.89Å
59G86.3Confident84.5Confident65 Ų6562.2 Ų62.267%0.6733%0.325SS*.THydrogen-bonded Turntrans76.3-3.6-176.800000115.3L57L57-G59 VanDerWaalsContact C-N 3.25Å; L57-G59 PolarHBondContact O-N 3.41Å
60V88.6Confident84.6Confident63 Ų6353.7 Ų53.738%0.38229%0.293SS..EExtended strand (participates in β ladder)trans-87.2121.9174.2-1760000108.8A56 L57 N58 V62 I73A56-V60 CarbonylContact C-O 3.47Å; A56-V60 WeakPolarHBondContact CA-O 3.41Å; A56-V60 WeakPolarHBondContact CB-O 3.42Å; L57-V60 PolarHBondContact N-O 3.35Å; L57-V60 WeakPolarHBondContact O-CB 3.4Å; L57-V60 PolarHBondContact O-N 2.81Å; N58-V60 PolarHBondContact O-N 2.83Å; V60-V62 PolarHBondContact O-N 2.75Å; V60-I73 HydrophobicContact CB-CD1 4.36Å; V60-I73 HydrophobicContact CG1-CD1 4.05Å
61D87.6Confident84.8Confident102 Ų10252.3 Ų52.355%0.54528%0.284SS..EExtended strand (participates in β ladder)trans-62.1125.9171.5-174.9-0.9000109.7Q63D61-Q63 WeakPolarHBondContact OD1-CB 3.25Å; D61-Q63 VanDerWaalsContact OD1-CG 3.32Å; D61-Q63 WeakPolarHBondContact OD1-CG 3.15Å; D61-Q63 PolarHBondContact OD1-N 2.8Å
62V86.7Confident85.1Confident0 Ų053.5 Ų53.50%028%0.284CS..  trans-121.710-178.9-62.20000112.8V54 I55 L57 V60 K64 A65 I70 I73V54-V62 HydrophobicContact CB-CG2 4.4Å; V54-V62 HydrophobicContact CG1-CG2 3.59Å; I55-V62 PolarHBondContact O-N 2.6Å; L57-V62 HydrophobicContact CB-CG1 4.12Å; L57-V62 HydrophobicContact CD1-CG1 4.09Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; L57-V62 HydrophobicContact CG-CG1 4.21Å; L57-V62 HydrophobicContact CG-CG2 3.94Å; V60-V62 PolarHBondContact O-N 2.75Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.16Å; V62-A65 HydrophobicContact CB-CB 3.91Å; V62-A65 HydrophobicContact CG1-CB 4.23Å; V62-A65 PolarHBondContact O-N 3.44Å; V62-A65 VanDerWaalsContact O-N 3.14Å; V62-I70 HydrophobicContact CB-CD1 4.28Å; V62-I70 HydrophobicContact CB-CG1 3.92Å; V62-I70 HydrophobicContact CG1-CG1 4.25Å; V62-I70 HydrophobicContact CG2-CG1 4.45Å; V62-I73 HydrophobicContact CG1-CD1 3.7Å
63Q80.2Confident85.2Confident76 Ų7654 Ų5436%0.35529%0.286SS..THydrogen-bonded Turntrans-50.4-58.8177.5-71.4-176.87.900109.1Y30 I55 D61Y30-Q63 WeakPolarHBondContact CD2-O 3.24Å; Y30-Q63 VanDerWaalsContact CE2-C 3.48Å; Y30-Q63 WeakPolarHBondContact CE2-O 3.35Å; I55-Q63 HydrophobicContact CB-CG 4.49Å; I55-Q63 HydrophobicContact CD1-CG 4.06Å; I55-Q63 VanDerWaalsContact CD1-NE2 3.3Å; I55-Q63 HydrophobicContact CG2-CG 4.22Å; I55-Q63 VanDerWaalsContact CG2-NE2 3.31Å; I55-Q63 PolarHBondContact O-N 2.92Å; D61-Q63 WeakPolarHBondContact OD1-CB 3.25Å; D61-Q63 VanDerWaalsContact OD1-CG 3.32Å; D61-Q63 WeakPolarHBondContact OD1-CG 3.15Å; D61-Q63 PolarHBondContact OD1-N 2.8Å
64K75Confident85.4Confident98 Ų9853.1 Ų53.143%0.42628%0.283SS..THydrogen-bonded Turntrans-82.60.8179.2-61.2-178.1-178.4-177.60115.3Y30 V62 D277Y30-K64 HydrophobicContact CE2-CB 4.44Å; Y30-K64 HydrophobicContact CE2-CG 4.32Å; V62-K64 VanDerWaalsContact C-N 3.33Å; V62-K64 PolarHBondContact O-N 3.16Å; K64-D277 IonicContact NZ-OD2 2.66Å; K64-D277 PolarHBondContact NZ-OD2 3.43Å
65A77.3Confident85.3Confident21 Ų2156.4 Ų56.417%0.17431%0.31CS..  trans-76.9145-174.700000112.8V62 R69 I70V62-A65 HydrophobicContact CB-CB 3.91Å; V62-A65 HydrophobicContact CG1-CB 4.23Å; V62-A65 PolarHBondContact O-N 3.44Å; V62-A65 VanDerWaalsContact O-N 3.14Å; A65-R69 HydrophobicContact CB-CB 4.27Å; A65-R69 HydrophobicContact CB-CG 4.15Å; A65-I70 HydrophobicContact CB-CD1 4.42Å; A65-I70 HydrophobicContact CB-CG1 4.04Å
66S76.9Confident85.1Confident70 Ų7064.8 Ų64.849%0.4934%0.34SS..  trans-64.3151172.770.40000111.6R68 R69 I70S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.15Å; S66-R69 WeakPolarHBondContact O-CA 3.38Å; S66-R69 WeakPolarHBondContact O-CB 3.47Å; S66-R69 PolarHBondContact O-N 3.22Å; S66-R69 PolarHBondContact OG-N 3.42Å; S66-I70 PolarHBondContact O-N 3.36Å
67H77.6Confident84.5Confident64 Ų6464.4 Ų64.430%0.29634%0.337SS..Hα-helixtrans-54.1-37.5176.4-174.887.6000112A27 I70 V71A27-H67 PolarHBondContact O-ND1 2.84Å; H67-I70 PolarHBondContact O-N 2.66Å; H67-V71 VanDerWaalsContact O-CG2 3.29Å; H67-V71 WeakPolarHBondContact O-CG2 3.34Å; H67-V71 PolarHBondContact O-N 3.26Å
68R83.9Confident84Confident190 Ų19066.7 Ų66.772%0.71736%0.361SS*.Hα-helixtrans-60.4-45.9174.5-174.8176.6179.1152.10.5111.7S66 I70 V71 D72S66-R68 PolarHBondContact O-N 2.67Å; S66-R68 VanDerWaalsContact O-N 3.15Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-I70 PolarHBondContact O-N 2.81Å; R68-V71 PolarHBondContact O-N 3.21Å; R68-D72 WeakPolarHBondContact O-CB 3.5Å; R68-D72 PolarHBondContact O-N 3.34Å
69R84.6Confident83.8Confident112 Ų11267.5 Ų67.542%0.42337%0.371SS..Hα-helixtrans-62.9-41.2177.7-17857.5174.3162.6-0.9111.7A65 S66 D72 I73A65-R69 HydrophobicContact CB-CB 4.27Å; A65-R69 HydrophobicContact CB-CG 4.15Å; S66-R69 WeakPolarHBondContact O-CA 3.38Å; S66-R69 WeakPolarHBondContact O-CB 3.47Å; S66-R69 PolarHBondContact O-N 3.22Å; S66-R69 PolarHBondContact OG-N 3.42Å; R69-D72 PolarHBondContact O-N 3.23Å; R69-I73 HydrophobicContact CG-CD1 4.07Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 2.99Å
70I87.2Confident83.9Confident0 Ų067.5 Ų67.50%036%0.358CS..Hα-helixtrans-61.4-48.7175.8-71.6170.7000110.9F26 S32 L57 V62 A65 S66 H67 R68 D72 I73 V74F26-I70 HydrophobicContact CD1-CG2 4.32Å; F26-I70 HydrophobicContact CD2-CG2 3.57Å; F26-I70 HydrophobicContact CE1-CG2 4.09Å; F26-I70 HydrophobicContact CE2-CG2 3.25Å; F26-I70 HydrophobicContact CG-CG2 4.08Å; F26-I70 HydrophobicContact CZ-CG2 3.53Å; S32-I70 WeakPolarHBondContact OG-CD1 3.49Å; L57-I70 HydrophobicContact CD1-CB 4.46Å; L57-I70 HydrophobicContact CD1-CG2 3.77Å; V62-I70 HydrophobicContact CB-CD1 4.28Å; V62-I70 HydrophobicContact CB-CG1 3.92Å; V62-I70 HydrophobicContact CG1-CG1 4.25Å; V62-I70 HydrophobicContact CG2-CG1 4.45Å; A65-I70 HydrophobicContact CB-CD1 4.42Å; A65-I70 HydrophobicContact CB-CG1 4.04Å; S66-I70 PolarHBondContact O-N 3.36Å; H67-I70 PolarHBondContact O-N 2.66Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-I70 PolarHBondContact O-N 2.81Å; I70-D72 VanDerWaalsContact C-N 3.33Å; I70-D72 PolarHBondContact O-N 3.08Å; I70-I73 PolarHBondContact O-N 3.15Å; I70-V74 WeakPolarHBondContact O-CG2 3.29Å; I70-V74 PolarHBondContact O-N 3.49Å
71V86.4Confident84.1Confident64 Ų6464.5 Ų64.539%0.38834%0.34SS..Hα-helixtrans-61.6-41.6176.3172.30000111.1H67 R68 I73 V74 A75H67-V71 VanDerWaalsContact O-CG2 3.29Å; H67-V71 WeakPolarHBondContact O-CG2 3.34Å; H67-V71 PolarHBondContact O-N 3.26Å; R68-V71 PolarHBondContact O-N 3.21Å; V71-I73 PolarHBondContact O-N 2.93Å; V71-V74 PolarHBondContact O-N 3.47Å; V71-A75 VanDerWaalsContact O-CB 3.29Å; V71-A75 WeakPolarHBondContact O-CB 3.45Å; V71-A75 PolarHBondContact O-N 3.32Å
72D85.5Confident84.3Confident58 Ų5863.7 Ų63.731%0.3133%0.333SS..Hα-helixtrans-63.8-39.8177.2-73-20.1000112.1R68 R69 I70 A75 R76R68-D72 WeakPolarHBondContact O-CB 3.5Å; R68-D72 PolarHBondContact O-N 3.34Å; R69-D72 PolarHBondContact O-N 3.23Å; I70-D72 VanDerWaalsContact C-N 3.33Å; I70-D72 PolarHBondContact O-N 3.08Å; D72-A75 PolarHBondContact O-N 2.98Å; D72-R76 WeakPolarHBondContact O-CB 3.41Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.48Å; D72-R76 PolarHBondContact O-N 3.44Å; D72-R76 VanDerWaalsContact O-N 3.11Å
73I87.6Confident84.6Confident12 Ų1263.7 Ų63.76%0.06233%0.333CS..Hα-helixtrans-64-46.2174.9-67.7163000110L57 V60 V62 R69 I70 V71 A75 R76 S77L57-I73 HydrophobicContact CB-CG2 3.68Å; L57-I73 HydrophobicContact CD1-CG2 4.48Å; V60-I73 HydrophobicContact CB-CD1 4.36Å; V60-I73 HydrophobicContact CG1-CD1 4.05Å; V62-I73 HydrophobicContact CG1-CD1 3.7Å; R69-I73 HydrophobicContact CG-CD1 4.07Å; R69-I73 VanDerWaalsContact O-CG1 3.25Å; R69-I73 WeakPolarHBondContact O-CG1 3.48Å; R69-I73 PolarHBondContact O-N 2.99Å; I70-I73 PolarHBondContact O-N 3.15Å; V71-I73 PolarHBondContact O-N 2.93Å; I73-A75 VanDerWaalsContact C-N 3.34Å; I73-A75 PolarHBondContact O-N 3.21Å; I73-R76 PolarHBondContact O-N 2.81Å; I73-S77 PolarHBondContact O-N 2.88Å; I73-S77 VanDerWaalsContact O-N 3.12Å; I73-S77 PolarHBondContact O-OG 2.89Å
74V89Confident85.2Confident25 Ų2560.9 Ų60.915%0.15232%0.321CS..Hα-helixtrans-65.9-34.8178.4174.60000112.6F22 F24 F26 L57 I70 V71 R76 S77 L81F22-V74 HydrophobicContact CD2-CG1 3.81Å; F22-V74 HydrophobicContact CE2-CG1 3.96Å; F24-V74 HydrophobicContact CZ-CG1 4.44Å; F24-V74 HydrophobicContact CZ-CG2 4.44Å; F26-V74 HydrophobicContact CE2-CG2 3.76Å; F26-V74 HydrophobicContact CZ-CG2 3.9Å; L57-V74 HydrophobicContact CD1-CG2 3.88Å; L57-V74 HydrophobicContact CD2-CG2 4.44Å; I70-V74 WeakPolarHBondContact O-CG2 3.29Å; I70-V74 PolarHBondContact O-N 3.49Å; V71-V74 PolarHBondContact O-N 3.47Å; V74-R76 VanDerWaalsContact C-N 3.31Å; V74-S77 VanDerWaalsContact CA-OG 3.28Å; V74-S77 WeakPolarHBondContact CA-OG 3.47Å; V74-S77 PolarHBondContact O-OG 2.85Å; V74-L81 HydrophobicContact CG1-CD2 4.24Å; V74-L81 HydrophobicContact CG2-CD1 4.27Å; V74-L81 HydrophobicContact CG2-CD2 3.95Å
75A85.9Confident85.9Confident69 Ų6956.2 Ų56.257%0.5730%0.301SS*.Hα-helixtrans-69.1-31.3176.600000112.2V71 D72 I73V71-A75 VanDerWaalsContact O-CB 3.29Å; V71-A75 WeakPolarHBondContact O-CB 3.45Å; V71-A75 PolarHBondContact O-N 3.32Å; D72-A75 PolarHBondContact O-N 2.98Å; I73-A75 VanDerWaalsContact C-N 3.34Å; I73-A75 PolarHBondContact O-N 3.21Å
76R86.4Confident86.4Confident192 Ų19259 Ų5973%0.72531%0.31SS*.Hα-helixtrans-82.5-20.2178.1-70174.2-171.4-157.92.5113.6D72 I73 V74 G78D72-R76 WeakPolarHBondContact O-CB 3.41Å; D72-R76 VanDerWaalsContact O-CG 3.24Å; D72-R76 WeakPolarHBondContact O-CG 3.48Å; D72-R76 PolarHBondContact O-N 3.44Å; D72-R76 VanDerWaalsContact O-N 3.11Å; I73-R76 PolarHBondContact O-N 2.81Å; V74-R76 VanDerWaalsContact C-N 3.31Å; R76-G78 PolarHBondContact O-N 3.26Å
77S78.8Confident86.5Confident6 Ų658.3 Ų58.34%0.04230%0.303CS..  trans-7191168.813.40000109.7F22 N58 I73 V74 T80 L81F22-S77 WeakPolarHBondContact CZ-O 3.08Å; N58-S77 WeakPolarHBondContact ND2-CB 3.43Å; I73-S77 PolarHBondContact O-N 2.88Å; I73-S77 VanDerWaalsContact O-N 3.12Å; I73-S77 PolarHBondContact O-OG 2.89Å; V74-S77 VanDerWaalsContact CA-OG 3.28Å; V74-S77 WeakPolarHBondContact CA-OG 3.47Å; V74-S77 PolarHBondContact O-OG 2.85Å; S77-T80 WeakPolarHBondContact CB-O 2.98Å; S77-L81 VanDerWaalsContact OG-CD1 3.25Å; S77-L81 WeakPolarHBondContact OG-CD1 3.25Å
78G82.1Confident86.1Confident48 Ų4858.8 Ų58.850%0.49531%0.312SS..  trans-47.8-82.9-174.900000114.3R17 R76R17-G78 WeakPolarHBondContact CD-O 3.44Å; R17-G78 PolarHBondContact NH1-O 2.92Å; R76-G78 PolarHBondContact O-N 3.26Å
79S86.6Confident84.6Confident83 Ų8355 Ų5558%0.5830%0.302SS*.SBendtrans-102.6-17.4-17852.70000114R17R17-S79 WeakPolarHBondContact CB-O 3.18Å; R17-S79 PolarHBondContact N-O 2.93Å
80T88.8Confident82.6Confident64 Ų6454.5 Ų54.539%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-134.6137.4-175.549.90000110.6L15 K16 S77L15-T80 CarbonylContact O-C 3.58Å; L15-T80 VanDerWaalsContact O-CA 3.27Å; L15-T80 WeakPolarHBondContact O-CA 3.31Å; K16-T80 HydrophobicContact CG-CG2 4.44Å; S77-T80 WeakPolarHBondContact CB-O 2.98Å
81L91.4Very high80Confident0 Ų063.5 Ų63.50%036%0.355CS..EExtended strand (participates in β ladder)trans-128.1121.2173.8172.670.7000108.7L15 F22 F24 L57 V74 S77L15-L81 HydrophobicContact CB-CB 4.48Å; L15-L81 HydrophobicContact CD1-CD2 4.35Å; L15-L81 PolarHBondContact N-O 3.38Å; L15-L81 PolarHBondContact O-N 3.14Å; F22-L81 HydrophobicContact CD1-CB 3.94Å; F22-L81 HydrophobicContact CD2-CB 4.35Å; F22-L81 HydrophobicContact CD2-CD2 4.05Å; F22-L81 HydrophobicContact CE1-CB 3.5Å; F22-L81 HydrophobicContact CE2-CB 3.96Å; F22-L81 HydrophobicContact CE2-CD2 4.29Å; F22-L81 HydrophobicContact CG-CB 4.35Å; F22-L81 HydrophobicContact CG-CD2 4.2Å; F22-L81 HydrophobicContact CZ-CB 3.52Å; F24-L81 HydrophobicContact CE1-CD2 3.77Å; F24-L81 HydrophobicContact CZ-CD2 3.58Å; L57-L81 HydrophobicContact CB-CD1 4.39Å; L57-L81 HydrophobicContact CD2-CD1 3.99Å; L57-L81 HydrophobicContact CD2-CD2 4.25Å; L57-L81 HydrophobicContact CD2-CG 4.41Å; V74-L81 HydrophobicContact CG1-CD2 4.24Å; V74-L81 HydrophobicContact CG2-CD1 4.27Å; V74-L81 HydrophobicContact CG2-CD2 3.95Å; S77-L81 VanDerWaalsContact OG-CD1 3.25Å; S77-L81 WeakPolarHBondContact OG-CD1 3.25Å
82E92.3Very high77.2Confident86 Ų8665.1 Ų65.140%0.40237%0.37SS..EExtended strand (participates in β ladder)trans-88.3123.6168-176.5176.6-152.300108.4T12 L14 L57 N58T12-E82 HydrophobicContact CG2-CG 3.41Å; T12-E82 VanDerWaalsContact CG2-CG 3.41Å; T12-E82 WeakPolarHBondContact CG2-OE1 3.14Å; L14-E82 HydrophobicContact CD1-CB 4.08Å; L57-E82 CarbonylContact C-O 3.52Å; L57-E82 WeakPolarHBondContact CA-O 3.38Å; N58-E82 PolarHBondContact N-O 3.04Å; N58-E82 PolarHBondContact OD1-N 2.89Å
83I92.6Very high74.4Confident0 Ų070.2 Ų70.20%040%0.396CS..EExtended strand (participates in β ladder)trans-127.1123.4-179.1-178.3173.7000109.7T12 V13 L15 F26 L34 L48 V54 L57 V85T12-I83 WeakPolarHBondContact CA-O 3.47Å; V13-I83 HydrophobicContact CG2-CG2 3.42Å; V13-I83 VanDerWaalsContact CG2-CG2 3.42Å; V13-I83 PolarHBondContact N-O 3.27Å; V13-I83 PolarHBondContact O-N 2.78Å; L15-I83 HydrophobicContact CD1-CG2 3.8Å; L15-I83 HydrophobicContact CG-CG2 4.03Å; F26-I83 HydrophobicContact CE1-CD1 4.46Å; L34-I83 HydrophobicContact CD2-CD1 4.4Å; L48-I83 HydrophobicContact CD1-CD1 4.32Å; L48-I83 HydrophobicContact CD1-CG2 3.85Å; L48-I83 HydrophobicContact CD2-CG2 4.38Å; V54-I83 HydrophobicContact CG1-CD1 4.15Å; V54-I83 HydrophobicContact CG1-CG1 4.16Å; V54-I83 HydrophobicContact CG2-CD1 4.4Å; L57-I83 HydrophobicContact CD2-CB 3.75Å; L57-I83 HydrophobicContact CD2-CD1 3.76Å; L57-I83 HydrophobicContact CD2-CG1 3.5Å; L57-I83 VanDerWaalsContact CD2-CG1 3.5Å; I83-V85 HydrophobicContact CD1-CG1 3.94Å; I83-V85 HydrophobicContact CG1-CG1 3.78Å
84T92.9Very high71.4Confident16 Ų1675.8 Ų75.810%0.09843%0.434CS..EExtended strand (participates in β ladder)trans-98.5123.2173.1-54.20000108.6L10 R11 T12 I55 A56L10-T84 HydrophobicContact CD1-CG2 4.15Å; L10-T84 HydrophobicContact CD2-CG2 3.89Å; L10-T84 HydrophobicContact CG-CG2 3.77Å; R11-T84 CarbonylContact O-C 3.6Å; R11-T84 WeakPolarHBondContact O-CA 3.32Å; T12-T84 WeakPolarHBondContact OG1-CG2 3.46Å; T12-T84 PolarHBondContact OG1-OG1 3.44Å; I55-T84 WeakPolarHBondContact CA-O 3.41Å; I55-T84 HydrophobicContact CB-CG2 4.16Å; I55-T84 WeakPolarHBondContact CB-O 3.42Å; I55-T84 HydrophobicContact CG2-CG2 4.39Å; I55-T84 PolarHBondContact N-O 2.83Å; A56-T84 PolarHBondContact N-O 2.96Å; A56-T84 VanDerWaalsContact N-O 3.16Å; A56-T84 PolarHBondContact O-N 3.41Å
85V90.5Very high68.4Low0 Ų079.7 Ų79.70%046%0.463CS..EExtended strand (participates in β ladder)trans-127.9154.5179-57.70000112L10 R11 L48 D52 I53 I83L10-V85 WeakPolarHBondContact CA-O 2.85Å; R11-V85 HydrophobicContact CG-CG2 3.46Å; R11-V85 VanDerWaalsContact CG-CG2 3.46Å; R11-V85 PolarHBondContact N-O 2.92Å; R11-V85 PolarHBondContact O-N 3.28Å; L48-V85 HydrophobicContact CD2-CB 4.44Å; L48-V85 HydrophobicContact CD2-CG1 3.85Å; L48-V85 HydrophobicContact CD2-CG2 3.64Å; D52-V85 HydrophobicContact CB-CB 3.98Å; D52-V85 HydrophobicContact CB-CG1 4.24Å; D52-V85 HydrophobicContact CB-CG2 4.13Å; I53-V85 CarbonylContact O-C 3.46Å; I53-V85 WeakPolarHBondContact O-CA 3.39Å; I53-V85 WeakPolarHBondContact O-CB 3.32Å; I83-V85 HydrophobicContact CD1-CG1 3.94Å; I83-V85 HydrophobicContact CG1-CG1 3.78Å
86Q86.8Confident65.6Low79 Ų7984.7 Ų84.737%0.36948%0.479SS..EExtended strand (participates in β ladder)trans-113.4126.8170.7-166.9175.220.600109.5G9 L10 I53 I55G9-Q86 WeakPolarHBondContact O-CA 3.03Å; L10-Q86 HydrophobicContact CD1-CB 4.11Å; L10-Q86 HydrophobicContact CD1-CG 4.47Å; I53-Q86 PolarHBondContact N-O 2.89Å; I53-Q86 PolarHBondContact O-N 3.28Å; I55-Q86 HydrophobicContact CD1-CB 3.9Å; I55-Q86 HydrophobicContact CG1-CB 3.91Å
87T80.1Confident63Low56 Ų5681.8 Ų81.834%0.34448%0.482SS..  trans-76.4125166.2-490000107.8G9 R11 Q89G9-T87 PolarHBondContact O-N 3.29Å; R11-T87 PolarHBondContact NH1-OG1 2.84Å; T87-Q89 PolarHBondContact O-N 3.2Å; T87-Q89 VanDerWaalsContact O-N 3.08Å
88P68.2Low60.5Low74 Ų7490.2 Ų90.248%0.48152%0.521SS..  trans-60.6116.5172.622.4-29.9000109.7S90P88-S90 PolarHBondContact O-N 3.08Å
89Q53.2Low57.9Low111 Ų11193.5 Ų93.552%0.51953%0.527SS..  trans-7993.5175.1-63-162.923.500109.5E8 T87 K91E8-Q89 PolarHBondContact O-NE2 3.07Å; E8-Q89 VanDerWaalsContact O-NE2 3.08Å; T87-Q89 PolarHBondContact O-N 3.2Å; T87-Q89 VanDerWaalsContact O-N 3.08Å; Q89-K91 PolarHBondContact O-N 3.08Å
90S42.3Very low55.2Low102 Ų10295.2 Ų95.271%0.71354%0.536SS*.  trans-91.185.9164.970.40000109.8P88 S92P88-S90 PolarHBondContact O-N 3.08Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 3.27Å
91K32Very low52.4Low189 Ų18998.8 Ų98.882%0.82255%0.553SS**  trans-86.677161-76.2-179.1-179.11710108.7Q89Q89-K91 PolarHBondContact O-N 3.08Å
92S28Very low49.5Very low98 Ų98102.2 Ų102.269%0.68558%0.582SS**SBendtrans-165.8107.2161179.10000108.3S90S90-S92 VanDerWaalsContact C-N 3.31Å; S90-S92 PolarHBondContact O-N 3.27Å
93L27.8Very low46.3Very low164 Ų164110 Ų11086%0.85961%0.607SS**SBendtrans7253.2177.5-51-179.6000118.2
94C23.6Very low43.3Very low129 Ų129117.5 Ų117.587%0.87265%0.646SS**  trans-145.170.3150.8-104.30000110.4
95S25.3Very low40Very low107 Ų107129.4 Ų129.475%0.74869%0.689SS**  trans-136.461.1163.664.50000108.9
96L28.4Very low37Very low175 Ų175134 Ų13492%0.91673%0.727SS**  trans-118.688.8148.9-84.3171000105.9
97V31.1Very low34.1Very low130 Ų130133.4 Ų133.479%0.78874%0.743SS**  trans-47.1133.5161.2172.60000108.2N99V97-N99 PolarHBondContact O-N 3.35Å
98E26.6Very low31.6Very low183 Ų183141.1 Ų141.186%0.85577%0.766SS**  trans-38.6110168.6-63.8170151.900110.8
99N27.8Very low29.7Very low117 Ų117145.6 Ų145.663%0.62678%0.778SS**  trans-120.4101.4159.6-164-20.9000107.8V97 N101V97-N99 PolarHBondContact O-N 3.35Å; N99-N101 PolarHBondContact O-N 2.53Å
100P30.2Very low28.5Very low119 Ų119145 Ų14577%0.77379%0.792SS**THydrogen-bonded Turntrans-64.5-1-174.9-19.530.5000115.2
101N30.1Very low27.8Very low140 Ų140147.9 Ų147.975%0.74980%0.8SS**THydrogen-bonded Turntrans-131.68.9-168.4-72.2-49000116.6N99 R103N99-N101 PolarHBondContact O-N 2.53Å; N101-R103 PolarHBondContact O-N 2.96Å
102A29.1Very low27.6Very low72 Ų72143.6 Ų143.660%0.59579%0.785SS**  trans-84.480.5178.200000112.3L104A102-L104 PolarHBondContact O-N 3.12Å
103R26.4Very low27.6Very low248 Ų248144.3 Ų144.394%0.93679%0.785SS**  trans-67.594.6165.8-75.7179.5174.3178.4-1110N101N101-R103 PolarHBondContact O-N 2.96Å
104L28.2Very low27.5Very low158 Ų158141.4 Ų141.483%0.82777%0.774SS**  trans-117.6125.5165-78.3167.4000110.6A102 A106A102-L104 PolarHBondContact O-N 3.12Å; L104-A106 PolarHBondContact O-N 2.98Å; L104-A106 VanDerWaalsContact O-N 3.1Å
105R24Very low27.6Very low266 Ų266139.5 Ų139.5100%1.00476%0.76SS**  trans-60.2102.9-176.5-72.1175169.8168.7-3.3110.8
106A28Very low27.5Very low96 Ų96140.5 Ų140.579%0.79376%0.756SS**  trans-121.6121.2165.200000109.4L104L104-A106 PolarHBondContact O-N 2.98Å; L104-A106 VanDerWaalsContact O-N 3.1Å
107G25.4Very low27.4Very low68 Ų68136.3 Ų136.370%0.70174%0.741SS**  trans-67.8131.7-170.500000114.7F109G107-F109 PolarHBondContact O-N 2.82Å
108R28.9Very low27.2Very low218 Ų218137.2 Ų137.282%0.82374%0.742SS**SBendtrans36.637.2141.1-60.6-170.6-175.9-172.10.5120.4
109F27.9Very low27.2Very low167 Ų167136.4 Ų136.473%0.73274%0.735SS**  trans-148.423.9166.3-72.2-71.6000115.5G107G107-F109 PolarHBondContact O-N 2.82Å
110A27.2Very low27.1Very low99 Ų99138 Ų13882%0.81874%0.743SS**  trans-94.210.2-168.700000117.1
111N27.4Very low26.9Very low163 Ų163135.6 Ų135.687%0.87274%0.74SS**  trans-11218-174-69.1-13.1000115.4
112L27.5Very low26.8Very low98 Ų98137.6 Ų137.651%0.51374%0.744SS.*SBendtrans-111.8112.1-179.8-71.9157.8000109.6N584L112-N584 WeakPolarHBondContact CD1-ND2 3.46Å; L112-N584 WeakPolarHBondContact CD2-ND2 3.47Å
113V28.2Very low26.7Very low113 Ų113142.3 Ų142.369%0.68576%0.758SS**  trans102.986.2173.6-168.40000114.6
114T26.8Very low26.9Very low104 Ų104135.4 Ų135.464%0.63875%0.746SS**  trans-79.9142.7154.532.20000110.3
115P24.5Very low27Very low88 Ų88134.5 Ų134.557%0.57174%0.742SS**  trans-72.7134.2178.928.8-31.4000111.1S117P115-S117 VanDerWaalsContact C-N 3.32Å; P115-S117 PolarHBondContact O-N 2.87Å
116I24.8Very low27.3Very low129 Ų129132.3 Ų132.366%0.66273%0.734SS**SBendtrans-71.889.4165.9-59.8172.6000108.4
117S25.1Very low27.4Very low87 Ų87135.6 Ų135.661%0.60874%0.736SS**  trans151.9110.4148.7-74.10000108.5P115P115-S117 VanDerWaalsContact C-N 3.32Å; P115-S117 PolarHBondContact O-N 2.87Å
118D26.6Very low27.4Very low149 Ų149135.2 Ų135.280%0.79773%0.732SS**  trans-164.882.8136-89-23.4000107.8L120D118-L120 VanDerWaalsContact C-N 3.26Å; D118-L120 PolarHBondContact O-N 3.44Å
119K26.4Very low27.5Very low165 Ų165135 Ų13572%0.71774%0.737SS**  trans-78.486.5154.4-81.5-163.6169.8-155.10107.3E624K119-E624 IonicContact NZ-OE1 2.75Å; K119-E624 PolarHBondContact NZ-OE1 3.11Å; K119-E624 IonicContact NZ-OE2 3.12Å; K119-E624 PolarHBondContact NZ-OE2 3.11Å
120L27.5Very low27.5Very low152 Ų152132.4 Ų132.480%0.79674%0.74SS**  trans-117.1101.1158.4-88.2163.2000107.8D118D118-L120 VanDerWaalsContact C-N 3.26Å; D118-L120 PolarHBondContact O-N 3.44Å
121G25.8Very low27.7Very low68 Ų68131.6 Ų131.670%0.70174%0.742SS**  trans-74.4158.616700000111.8
122H28.2Very low27.6Very low182 Ų182129.9 Ų129.984%0.84374%0.743SS**  trans69.8103.5162.4-89.1-47.7000119.2
123L26.8Very low27.8Very low170 Ų170129.1 Ų129.189%0.8975%0.75SS**  trans-109138.3132.6-80.4166.1000108.9
124P30.4Very low27.8Very low104 Ų104135.5 Ų135.568%0.67576%0.762SS**  trans-100.3157.1-173.438.3-32.7000114.4
125D29.6Very low27.9Very low138 Ų138135.1 Ų135.174%0.73876%0.764SS**  trans30.8128.3146.1-87.5-25.6000124
126R29.8Very low28.1Very low220 Ų220139.9 Ų139.983%0.8378%0.778SS**  trans70.4118.5131.2-70179.4178.3-158.7-2.2120.8
127I31.3Very low28.3Very low165 Ų165137.9 Ų137.985%0.84678%0.781SS**  -178.8117120.3-77.5142.8000102.9
128G25.6Very low28.4Very low60 Ų60139.9 Ų139.962%0.61979%0.789SS**  cis94.583.138.600000109.2
129F30.1Very low28.6Very low213 Ų213140.8 Ų140.893%0.93479%0.793SS**  trans-163.1131147.7-100.6-70.8000111.6
130S27.8Very low28.6Very low114 Ų114137.8 Ų137.880%0.79779%0.793SS**  trans-80.2153.3-177.551.70000113.7
131G30.7Very low28.9Very low82 Ų82138.3 Ų138.385%0.84580%0.795SS**  trans177.8101.516300000112.5
132S26.9Very low29.3Very low127 Ų127140.9 Ų140.989%0.88880%0.799SS**  trans-82.3162.2-176.1-179.50000113.6
133A31.4Very low29.3Very low81 Ų81135.3 Ų135.367%0.66979%0.791SS**  trans125.3109.5151.500000112.5
134R28.7Very low29.6Very low248 Ų248136.5 Ų136.594%0.93679%0.789SS**  62.4137.493.2-80.9-176.7172175.8-2.4111.9
135S28.6Very low29.7Very low96 Ų96139.3 Ų139.367%0.67179%0.794SS**  cis-174.2147.16.9-163.30000106.8
136E27.3Very low29.5Very low187 Ų187139.2 Ų139.287%0.87480%0.798SS**  trans52.5159.6140.7-72.8-162.6158.800126.2
137A29.9Very low29.5Very low88 Ų88139.7 Ų139.773%0.72780%0.8SS**  trans89.699.9163.100000116.3
138V27.3Very low29.4Very low129 Ų129139.9 Ų139.978%0.78280%0.797SS**  61.5115.376.2-178.40000112.6
139L30Very low29.6Very low168 Ų168143.3 Ų143.388%0.8880%0.797SS**  trans-177.2127.9130.5-95.5160.3000111.6
140S27.5Very low29.8Very low101 Ų101143.5 Ų143.571%0.70679%0.792SS**  trans-84.8164.5175.7-55.10000111.9
141I32.2Very low29.9Very low164 Ų164145.9 Ų145.984%0.84180%0.796SS**  157.1150.3123.7-79.7167.1000113.1
142P34.3Very low30.4Very low121 Ų121147.1 Ų147.179%0.78679%0.789SS**  trans-127.3-176.6-149.540.5-22.3000116.6
143G29.5Very low30.9Very low66 Ų66146.7 Ų146.768%0.6878%0.783SS**  trans111.8135.7142.400000119.2
144F32.3Very low30.8Very low194 Ų194154.9 Ų154.985%0.85180%0.796SS**  trans175.796.9142-101.4-75.5000109.3
145Q33.6Very low30.9Very low164 Ų164146.9 Ų146.977%0.76679%0.792SS**  63.2106.9101-68.2-173.42.700116.3
146T25.6Very low30.9Very low136 Ų136153.9 Ų153.983%0.83480%0.803SS**  67116.980.750.10000118.7
147R28.9Very low30.8Very low230 Ų230147.7 Ų147.787%0.86879%0.79SS**  trans-173.5112.3135.7-149167.5179-163.4-1.9110.9
148Q28.6Very low30.6Very low168 Ų168153.5 Ų153.579%0.78580%0.795SS**  49.7123.699.3-91.5179.9-1.400114.3
149E30.7Very low30.6Very low133 Ų133154.4 Ų154.462%0.62180%0.8SS**  -168.515457.6-96.3-150.2131.500114.4
150R33.1Very low30.4Very low216 Ų216152.5 Ų152.582%0.81580%0.795SS**  trans78.7142.4140.5-73.8177.5-165-17213.3123.8
151N29.7Very low30.4Very low165 Ų165155.1 Ų155.188%0.88280%0.801SS**  trans-95.2174.9-159.5-100.5-42.4000114.6
152P42.9Very low30.1Very low108 Ų108156 Ų15670%0.70180%0.801SS**  trans-99.1-178.6-151.642-37.8000114.9
153P35.9Very low29.7Very low118 Ų118155.1 Ų155.177%0.76680%0.798SS**  -151.1160.698.936.8-17.8000117.4
154R29.5Very low29.7Very low252 Ų252156.7 Ų156.795%0.95180%0.799SS**  trans27.2118.6146.1-62.8-179.7-179.3-161.50.1119.7
155G31.2Very low29.5Very low81 Ų81156.2 Ų156.284%0.83580%0.801SS**  trans-177.6117.7156.200000112.1
156R28.9Very low29.4Very low242 Ų242153.7 Ų153.791%0.91380%0.797SS**  trans-65.7150.4179.4-66.8175.1-176.4-176.70.8111.6
157G26.3Very low29.8Very low58 Ų58152.3 Ų152.360%0.59880%0.799SS**  trans147.888150.100000116.8
158Y25.6Very low29.8Very low210 Ų210149.7 Ų149.782%0.82480%0.796SS**  trans23.1120.7145.4-30.8-77.4000120
159T25.6Very low30.1Very low147 Ų147146.7 Ų146.790%0.90280%0.8SS**  trans-98.3132.8164390000111.7
160V26.5Very low30Very low128 Ų128144.3 Ų144.378%0.77681%0.812SS**  trans-113.9134.9164.21640000107.7
161L27.3Very low29.9Very low156 Ų156137.3 Ų137.382%0.81781%0.806SS**  trans26.2130152.7-63.5162.7000120.2
162Q26.6Very low30.1Very low182 Ų182136.8 Ų136.885%0.8580%0.804SS**  -167.3118117.3-113.1178.3-36.600113.3
163S25.1Very low29.6Very low103 Ų103136.8 Ų136.872%0.7281%0.806SS**  58134.5121.8-59.20000124.4
164S29.2Very low29.6Very low99 Ų99136.9 Ų136.969%0.69281%0.81SS**  93.5120.1129.5-165.90000119.4
165M29.7Very low29.7Very low185 Ų185130.3 Ų130.391%0.91180%0.803SS**  -177.5157.399.8-94-164.7-73.700113.7
166V31.4Very low29.6Very low110 Ų110134.1 Ų134.167%0.66780%0.804SS**  trans-94.6157.5-157.4179.50000112.7H168V166-H168 VanDerWaalsContact CG1-CD2 3.44Å; V166-H168 WeakPolarHBondContact CG1-CD2 3.26Å
167A32.3Very low29.7Very low107 Ų107127 Ų12788%0.88479%0.791SS**  trans-146.6115.7145.100000111.2
168H29.1Very low29.7Very low175 Ų175128.9 Ų128.981%0.8180%0.795SS**  trans-79.9146.9172.2-74-84.5000111.4V166V166-H168 VanDerWaalsContact CG1-CD2 3.44Å; V166-H168 WeakPolarHBondContact CG1-CD2 3.26Å
169A36.4Very low29.8Very low105 Ų105129 Ų12987%0.86880%0.8SS**  trans-154.6105.5143.200000108.6
170G27.3Very low30Very low84 Ų84130.2 Ų130.287%0.86680%0.798SS**  trans-86.9165.2165.800000111
171G31.9Very low30.4Very low68 Ų68132.9 Ų132.970%0.70180%0.802SS**  trans159.691.317100000113.7
172D33.5Very low31.1Very low155 Ų155135.7 Ų135.783%0.82980%0.801SS**  trans7699.8136.9-53-13.3000121.7
173S31.4Very low32.1Very low108 Ų108134.7 Ų134.776%0.75580%0.802SS**  27.3116.2125.859.20000120
174S36.1Very low34Very low120 Ų120133 Ų13384%0.83978%0.784SS**  -171.9137.1114.140.90000111.1
175S31.6Very low36.2Very low114 Ų114134.5 Ų134.580%0.79779%0.785SS**  trans-48.9134.4174.643.70000114.8
176D30.7Very low38.7Very low161 Ų161129.4 Ų129.486%0.86176%0.761SS**  trans-157154.2134.1-130.5-17.5000114.2
177S30.9Very low41.2Very low93 Ų93128.6 Ų128.665%0.6575%0.752SS**  trans-78.4133-147.1560000119.2
178S25.1Very low43.8Very low97 Ų97125.1 Ų125.168%0.67872%0.717SS**  trans36.5110.3133.166.40000121.5
179F28.2Very low46.7Very low212 Ų212118.3 Ų118.393%0.9369%0.685SS**  trans-136.595.3131.6-143.1-93.3000107.3E181F179-E181 PolarHBondContact O-N 3.08Å; F179-E181 VanDerWaalsContact O-N 3.17Å
180M29.5Very low49.3Very low173 Ų173113.5 Ų113.585%0.85265%0.645SS**  trans-70.8106.5178.1-72.1-104.3150.700108.4R182M180-R182 PolarHBondContact O-N 3.35Å; M180-R182 VanDerWaalsContact O-N 3.1Å
181E35.5Very low52.2Low183 Ų183109.8 Ų109.886%0.85561%0.606SS**  trans-54.7113.9158.3-90.4175139.800106.7F179 D183F179-E181 PolarHBondContact O-N 3.08Å; F179-E181 VanDerWaalsContact O-N 3.17Å; E181-D183 PolarHBondContact O-N 2.82Å; E181-D183 VanDerWaalsContact O-N 3.12Å
182R41.1Very low55Low215 Ų215106.7 Ų106.781%0.81157%0.573SS**  trans-54.3121.4168.7-75.8-178.2-84.6-170.8-3.3106.9M180 L184M180-R182 PolarHBondContact O-N 3.35Å; M180-R182 VanDerWaalsContact O-N 3.1Å; R182-L184 PolarHBondContact O-N 3.25Å
183D48.2Very low57.6Low162 Ų162100.4 Ų100.487%0.86654%0.54SS*.  trans-59.786166.7-83.3-36.1000107.8E181 D185E181-D183 PolarHBondContact O-N 2.82Å; E181-D183 VanDerWaalsContact O-N 3.12Å; D183-D185 PolarHBondContact O-N 3.19Å
184L64.8Low60.4Low66 Ų6695.4 Ų95.435%0.34651%0.505SS..  trans-75.3120.5172.7-67.6173.1000107.2R182 L186 Y233 Q236R182-L184 PolarHBondContact O-N 3.25Å; L184-L186 PolarHBondContact O-N 3.43Å; L184-Y233 HydrophobicContact CB-CD1 3.49Å; L184-Y233 VanDerWaalsContact CB-CD1 3.49Å; L184-Y233 HydrophobicContact CB-CE1 3.85Å; L184-Y233 HydrophobicContact CB-CG 4.24Å; L184-Y233 WeakPolarHBondContact O-CE1 3.42Å; L184-Q236 VanDerWaalsContact CD1-NE2 3.29Å
185D74.5Confident62.7Low132 Ų13290.7 Ų90.771%0.70647%0.47SS*.  trans-63.6110.5178.8-73.1-34.3000109.6D183 I187D183-D185 PolarHBondContact O-N 3.19Å; D185-I187 PolarHBondContact O-N 2.94Å
186L83.1Confident65.2Low78 Ų7885.3 Ų85.341%0.40843%0.433SS..  trans-69.1113.5175.4178.569.1000109L184 F188 Q189 K231 Y233L184-L186 PolarHBondContact O-N 3.43Å; L186-F188 WeakPolarHBondContact CD1-O 3.3Å; L186-Q189 HydrophobicContact CD2-CB 4.47Å; L186-K231 HydrophobicContact CD1-CB 3.69Å; L186-K231 HydrophobicContact CD1-CD 4.36Å; L186-K231 HydrophobicContact CD1-CG 4.1Å; L186-Y233 HydrophobicContact CB-CE1 4.11Å; L186-Y233 HydrophobicContact CD1-CE1 4.04Å; L186-Y233 HydrophobicContact CD1-CE2 4.49Å
187I84.1Confident68.1Low93 Ų9379.5 Ų79.548%0.47741%0.405SS..  trans-78.2-50.9-178.2-59.3175.4000110.2D185 A232 E234 L370D185-I187 PolarHBondContact O-N 2.94Å; I187-A232 WeakPolarHBondContact CB-O 3.2Å; I187-A232 PolarHBondContact N-O 2.98Å; I187-E234 HydrophobicContact CD1-CB 4.29Å; I187-L370 HydrophobicContact CD1-CD1 3.31Å
188F87.1Confident70.8Confident34 Ų3475.8 Ų75.815%0.14938%0.378CS..EExtended strand (participates in β ladder)trans-156.4163.8172.673.2-88.3000111L186 V190 A232 S366 L367L186-F188 WeakPolarHBondContact CD1-O 3.3Å; F188-V190 HydrophobicContact CD2-CG1 4.35Å; F188-V190 HydrophobicContact CE2-CG1 3.94Å; F188-A232 HydrophobicContact CD1-CB 3.51Å; F188-A232 HydrophobicContact CD2-CB 4.34Å; F188-A232 HydrophobicContact CE1-CB 3.23Å; F188-A232 HydrophobicContact CE2-CB 4.11Å; F188-A232 HydrophobicContact CG-CB 4.07Å; F188-A232 HydrophobicContact CZ-CB 3.56Å; F188-A232 PolarHBondContact O-N 3.07Å; F188-S366 VanDerWaalsContact CE1-CB 3.49Å; F188-L367 HydrophobicContact CE1-CD2 4.36Å; F188-L367 HydrophobicContact CZ-CD2 3.73Å; F188-L367 HydrophobicContact CZ-CG 4Å
189Q90.3Very high73.7Confident32 Ų3275.9 Ų75.915%0.1537%0.374CS..EExtended strand (participates in β ladder)trans-137.4147.3171.666.5-176.49.700110.2L186 L229 M230 K231 E355L186-Q189 HydrophobicContact CD2-CB 4.47Å; Q189-L229 HydrophobicContact CB-CD1 4.18Å; Q189-M230 CarbonylContact C-O 3.54Å; Q189-M230 WeakPolarHBondContact CA-O 3.42Å; Q189-K231 HydrophobicContact CB-CG 4.06Å; Q189-E355 HydrophobicContact CG-CG 4.04Å
190V90.9Very high76.4Confident4 Ų466.1 Ų66.12%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-149.1140.4-175.461.50000111.2F188 L192 M230 P357 V363F188-V190 HydrophobicContact CD2-CG1 4.35Å; F188-V190 HydrophobicContact CE2-CG1 3.94Å; V190-L192 HydrophobicContact CG1-CD1 3.77Å; V190-L192 HydrophobicContact CG1-CD2 4.36Å; V190-L192 HydrophobicContact CG1-CG 3.9Å; V190-L192 HydrophobicContact CG2-CD2 3.94Å; V190-L192 HydrophobicContact CG2-CG 4.12Å; V190-M230 HydrophobicContact CG1-CB 4.04Å; V190-M230 PolarHBondContact N-O 3.11Å; V190-M230 PolarHBondContact O-N 2.94Å; V190-P357 VanDerWaalsContact CG2-CD 3.48Å; V190-P357 HydrophobicContact CG2-CG 3.76Å; V190-V363 HydrophobicContact CG1-CG1 4.31Å; V190-V363 HydrophobicContact CG2-CG2 4.1Å
191V88.6Confident78.7Confident5 Ų561.2 Ų61.23%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-88.6125.4173.1-1800000109.2T227 V228 L229 Y318 F322 I324 E355 F356V191-T227 HydrophobicContact CG1-CG2 3.49Å; V191-T227 VanDerWaalsContact CG1-CG2 3.49Å; V191-V228 WeakPolarHBondContact CA-O 3.36Å; V191-L229 HydrophobicContact CG2-CD1 4.15Å; V191-Y318 HydrophobicContact CG1-CD1 4.41Å; V191-F322 HydrophobicContact CG1-CD2 4.24Å; V191-F322 HydrophobicContact CG1-CE2 3.82Å; V191-F322 HydrophobicContact CG2-CD2 4.04Å; V191-F322 HydrophobicContact CG2-CE2 4.41Å; V191-I324 HydrophobicContact CG2-CD1 3.74Å; V191-E355 PolarHBondContact N-O 3.06Å; V191-F356 HydrophobicContact CB-CD1 3.98Å; V191-F356 HydrophobicContact CB-CE1 3.56Å; V191-F356 HydrophobicContact CB-CZ 4.16Å; V191-F356 HydrophobicContact CG1-CE1 3.95Å; V191-F356 HydrophobicContact CG2-CD1 4.35Å; V191-F356 HydrophobicContact CG2-CE1 3.55Å; V191-F356 HydrophobicContact CG2-CE2 4.47Å; V191-F356 HydrophobicContact CG2-CZ 3.63Å
192L90Very high80.6Confident3 Ų355 Ų552%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-134.6163-174.3-63.5170.9000111V190 T227 V228 M230 F268 F303 V305 V363V190-L192 HydrophobicContact CG1-CD1 3.77Å; V190-L192 HydrophobicContact CG1-CD2 4.36Å; V190-L192 HydrophobicContact CG1-CG 3.9Å; V190-L192 HydrophobicContact CG2-CD2 3.94Å; V190-L192 HydrophobicContact CG2-CG 4.12Å; L192-T227 CarbonylContact O-C 3.44Å; L192-T227 WeakPolarHBondContact O-CA 3.17Å; L192-V228 HydrophobicContact CB-CG2 4.3Å; L192-V228 PolarHBondContact N-O 3.3Å; L192-V228 PolarHBondContact O-N 3.34Å; L192-M230 HydrophobicContact CD1-CB 4.07Å; L192-M230 HydrophobicContact CD1-CE 3.94Å; L192-M230 HydrophobicContact CD1-SD 4.03Å; L192-F268 HydrophobicContact CD1-CE1 4.22Å; L192-F268 HydrophobicContact CD1-CZ 3.65Å; L192-F268 HydrophobicContact CD2-CE1 4.01Å; L192-F268 HydrophobicContact CD2-CZ 4.25Å; L192-F303 HydrophobicContact CB-CD1 4.46Å; L192-F303 HydrophobicContact CD1-CB 4.43Å; L192-F303 HydrophobicContact CD1-CD1 4.17Å; L192-F303 HydrophobicContact CD1-CG 4.43Å; L192-V305 HydrophobicContact CD2-CG2 3.85Å; L192-V363 HydrophobicContact CD2-CG2 4.43Å
193V87.7Confident82.1Confident23 Ų2349.5 Ų49.514%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-94.3116.2165.4-176.90000108.6I195 V225 R226 F303 A304 D306V193-I195 HydrophobicContact CG1-CD1 3.88Å; V193-V225 HydrophobicContact CG1-CB 4Å; V193-V225 HydrophobicContact CG1-CG2 4.34Å; V193-R226 CarbonylContact C-O 3.44Å; V193-F303 CarbonylContact O-C 3.21Å; V193-F303 VanDerWaalsContact O-CA 3.28Å; V193-F303 WeakPolarHBondContact O-CA 3.48Å; V193-A304 HydrophobicContact CB-CB 4.28Å; V193-A304 PolarHBondContact N-O 3.38Å; V193-A304 PolarHBondContact O-N 3.42Å; V193-D306 HydrophobicContact CG2-CB 4.09Å
194Y89.3Confident83.2Confident4 Ų444.3 Ų44.32%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-83.7117.5171.2-173.8-128.2000110.5S197 V225 R226 V228 I247 H301 V302 F303Y194-S197 PolarHBondContact OH-OG 3.35Å; Y194-V225 WeakPolarHBondContact O-CA 3.33Å; Y194-R226 PolarHBondContact N-O 3.39Å; Y194-R226 PolarHBondContact O-N 3.09Å; Y194-V228 HydrophobicContact CG-CG1 4.49Å; Y194-I247 HydrophobicContact CE1-CG2 4.41Å; Y194-H301 HydrophobicContact CE2-CB 4.22Å; Y194-H301 PolarHBondContact OH-ND1 2.98Å; Y194-H301 VanDerWaalsContact OH-ND1 3.15Å; Y194-V302 WeakPolarHBondContact CD2-O 3.35Å; Y194-F303 AromaticContact CD2-CD1 3.71Å; Y194-F303 HydrophobicContact CD2-CD1 3.71Å; Y194-F303 AromaticContact CD2-CE1 3.34Å; Y194-F303 HydrophobicContact CD2-CE1 3.34Å; Y194-F303 HydrophobicContact CD2-CG 4.44Å; Y194-F303 AromaticContact CD2-CZ 3.81Å; Y194-F303 HydrophobicContact CD2-CZ 3.81Å; Y194-F303 AromaticContact CE2-CE1 3.88Å; Y194-F303 HydrophobicContact CE2-CE1 3.88Å; Y194-F303 AromaticContact CE2-CZ 3.85Å; Y194-F303 HydrophobicContact CE2-CZ 3.85Å; Y194-F303 HydrophobicContact CG-CE1 4.23Å
195I85.7Confident83.3Confident21 Ų2150.6 Ų50.611%0.10827%0.272CS..EExtended strand (participates in β ladder)trans-85.9-41.4-179-49.7-62000110.3V193 L218 V223 V225 Y267 V302 A304V193-I195 HydrophobicContact CG1-CD1 3.88Å; I195-L218 HydrophobicContact CB-CD1 4.24Å; I195-L218 HydrophobicContact CG2-CB 4.12Å; I195-L218 HydrophobicContact CG2-CD1 3.84Å; I195-V223 WeakPolarHBondContact O-CG1 3.18Å; I195-V225 HydrophobicContact CD1-CB 4.39Å; I195-V225 HydrophobicContact CD1-CG1 3.79Å; I195-V225 HydrophobicContact CG2-CG1 4.28Å; I195-Y267 HydrophobicContact CD1-CE1 4.2Å; I195-Y267 HydrophobicContact CG1-CD1 4.49Å; I195-Y267 HydrophobicContact CG1-CE1 4.31Å; I195-V302 HydrophobicContact CB-CB 4.16Å; I195-V302 HydrophobicContact CB-CG1 4.04Å; I195-V302 HydrophobicContact CG1-CG1 4.03Å; I195-V302 PolarHBondContact N-O 3.19Å; I195-A304 HydrophobicContact CD1-CB 4.17Å; I195-A304 HydrophobicContact CG1-CB 4.43Å
196G84.7Confident83.5Confident1 Ų145.8 Ų45.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans150.8-174.4176.200000113.6V302G196-V302 PolarHBondContact O-N 3.29Å
197S89.7Confident83.5Confident39 Ų3947.5 Ų47.527%0.27325%0.25SC..EExtended strand (participates in β ladder)trans-111.2146.4174.9-47.90000110.3Y194 S300 H301Y194-S197 PolarHBondContact OH-OG 3.35Å; S197-S300 CarbonylContact C-O 3.58Å; S197-S300 WeakPolarHBondContact CA-O 3.41Å; S197-H301 PolarHBondContact OG-CE1 2.87Å; S197-H301 PolarHBondContact OG-ND1 3.09Å
198V87.7Confident83.2Confident15 Ų1547.2 Ų47.29%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-137145.216963.50000110.4V200 A214 I299 S300V198-V200 HydrophobicContact CG1-CG1 3.84Å; V198-A214 HydrophobicContact CG1-CB 3.26Å; V198-I299 CarbonylContact O-C 3.54Å; V198-I299 WeakPolarHBondContact O-CA 3.2Å; V198-S300 PolarHBondContact N-O 2.7Å; V198-S300 PolarHBondContact O-N 3.41Å
199T87.8Confident83Confident98 Ų9850.8 Ų50.860%0.60126%0.258SS*.EExtended strand (participates in β ladder)trans-77.2129.6168.851.40000109.9A298 I299T199-A298 CarbonylContact C-O 3.53Å; T199-A298 WeakPolarHBondContact CA-O 3.32Å; T199-I299 HydrophobicContact CG2-CG1 4.49Å
200V84.3Confident82.7Confident8 Ų849.4 Ų49.45%0.04825%0.252CS..EExtended strand (participates in β ladder)trans-126.1139.3-178.9-630000109.5V198 V210 T271 A298V198-V200 HydrophobicContact CG1-CG1 3.84Å; V200-V210 HydrophobicContact CB-CG1 4.03Å; V200-V210 HydrophobicContact CG1-CG1 3.89Å; V200-V210 HydrophobicContact CG2-CG1 3.82Å; V200-T271 HydrophobicContact CG2-CG2 3.98Å; V200-A298 HydrophobicContact CG2-CB 3.94Å; V200-A298 PolarHBondContact N-O 2.79Å; V200-A298 PolarHBondContact O-N 3.34Å
201P78.5Confident82.4Confident69 Ų6949.3 Ų49.345%0.44825%0.251SS..EExtended strand (participates in β ladder)trans-70.5134.2-179.928.4-33.5000110.2S203 Q204P201-S203 PolarHBondContact O-N 3.47Å; P201-Q204 HydrophobicContact CG-CB 4.38Å; P201-Q204 WeakPolarHBondContact O-CB 3.49Å; P201-Q204 PolarHBondContact O-N 3.26Å; P201-Q204 VanDerWaalsContact O-N 3.09Å
202V74.3Confident82.1Confident52 Ų5253.2 Ų53.232%0.31527%0.265SS..THydrogen-bonded Turntrans-64.7-22.2179.91790000111.7Q204 L273 E296 A298V202-Q204 PolarHBondContact O-N 3.34Å; V202-Q204 VanDerWaalsContact O-N 3.16Å; V202-L273 HydrophobicContact CG2-CD2 4.48Å; V202-E296 HydrophobicContact CB-CB 4.13Å; V202-E296 HydrophobicContact CG2-CB 3.97Å; V202-E296 VanDerWaalsContact CG2-O 3.25Å; V202-E296 WeakPolarHBondContact CG2-O 3.38Å; V202-E296 PolarHBondContact N-O 3.48Å; V202-A298 HydrophobicContact CG2-CB 3.87Å
203S73.3Confident81.8Confident101 Ų10157.2 Ų57.271%0.70629%0.286SS*.THydrogen-bonded Turntrans-61.5-20.4173.763.50000114P201 R205P201-S203 PolarHBondContact O-N 3.47Å; S203-R205 PolarHBondContact O-N 2.63Å; S203-R205 VanDerWaalsContact O-N 3.08Å
204Q71Confident81.7Confident53 Ų5356.1 Ų56.125%0.24828%0.28CS..  trans-7894.1178.5-172.572.8-71.400111.1P201 V202 S206 K209 V210P201-Q204 HydrophobicContact CG-CB 4.38Å; P201-Q204 WeakPolarHBondContact O-CB 3.49Å; P201-Q204 PolarHBondContact O-N 3.26Å; P201-Q204 VanDerWaalsContact O-N 3.09Å; V202-Q204 PolarHBondContact O-N 3.34Å; V202-Q204 VanDerWaalsContact O-N 3.16Å; Q204-S206 PolarHBondContact O-N 3.14Å; Q204-K209 HydrophobicContact CG-CB 4.13Å; Q204-V210 HydrophobicContact CB-CG2 3.92Å; Q204-V210 HydrophobicContact CG-CG2 3.52Å
205R66.1Low81.4Confident197 Ų19757.1 Ų57.174%0.74329%0.285SS*.  trans-69.6-27.7-177.6-60.5-173.1-179.1-172.7-0.4114.6S203 R207S203-R205 PolarHBondContact O-N 2.63Å; S203-R205 VanDerWaalsContact O-N 3.08Å; R205-R207 PolarHBondContact O-N 2.96Å
206S80Confident81.2Confident31 Ų3162 Ų6222%0.21731%0.307CS..  trans-83.2110.6-174.8179.80000111.9Q204 R208 K209 V210Q204-S206 PolarHBondContact O-N 3.14Å; S206-R208 PolarHBondContact O-N 3.37Å; S206-K209 PolarHBondContact O-N 2.96Å; S206-V210 PolarHBondContact O-N 3.06Å
207R82.6Confident80.9Confident114 Ų11463.6 Ų63.643%0.4332%0.318SS..Hα-helixtrans-50-42.3176.2-61.2-174.8-173.2177.62.7112.8R205 V210 L211 F257 A259R205-R207 PolarHBondContact O-N 2.96Å; R207-V210 PolarHBondContact O-N 3.17Å; R207-L211 PolarHBondContact O-N 3.1Å; R207-L211 VanDerWaalsContact O-N 3.12Å; R207-F257 HydrophobicContact CB-CD2 4.07Å; R207-F257 HydrophobicContact CB-CE2 3.89Å; R207-F257 HydrophobicContact CG-CD2 3.67Å; R207-F257 HydrophobicContact CG-CE2 3.89Å; R207-F257 HydrophobicContact CG-CG 4.02Å; R207-F257 HydrophobicContact CG-CZ 4.39Å; R207-A259 HydrophobicContact CB-CB 3.86Å
208R78.6Confident80.5Confident87 Ų8762 Ų6233%0.32831%0.306SS..Hα-helixtrans-64.2-43.8177.5-70177.5172.2156.1-9.7112.4S206 V210 L211 R212 P262 D388S206-R208 PolarHBondContact O-N 3.37Å; R208-V210 VanDerWaalsContact C-N 3.34Å; R208-L211 PolarHBondContact O-N 2.77Å; R208-R212 WeakPolarHBondContact O-CG 3.37Å; R208-R212 PolarHBondContact O-N 2.88Å; R208-P262 HydrophobicContact CG-CG 4.2Å; R208-D388 IonicContact CZ-OD1 3.16Å; R208-D388 IonicContact CZ-OD2 3.93Å; R208-D388 IonicContact NE-OD2 3.88Å; R208-D388 PolarHBondContact NE-OD2 2.93Å; R208-D388 IonicContact NH1-OD1 3.41Å; R208-D388 PolarHBondContact NH1-OD1 3.35Å; R208-D388 IonicContact NH1-OD2 3.58Å; R208-D388 PolarHBondContact NH1-OD2 3.36Å; R208-D388 IonicContact NH2-OD1 3.76Å; R208-D388 PolarHBondContact NH2-OD1 3Å; R208-D388 IonicContact NH2-OD2 2.7Å; R208-D388 PolarHBondContact NH2-OD2 3.42Å; R208-D388 VanDerWaalsContact NH2-OD2 3.1Å
209K82.1Confident79.8Confident110 Ų11064.7 Ų64.748%0.47832%0.317SS..Hα-helixtrans-64.9-41.1178.1-68.5-176.7-175.4174.50110.8Q204 S206 R212 L213Q204-K209 HydrophobicContact CG-CB 4.13Å; S206-K209 PolarHBondContact O-N 2.96Å; K209-R212 PolarHBondContact O-N 3.04Å; K209-L213 WeakPolarHBondContact O-CB 3.25Å; K209-L213 WeakPolarHBondContact O-CG 3.3Å; K209-L213 PolarHBondContact O-N 3.23Å
210V84.1Confident79.1Confident3 Ų363.6 Ų63.62%0.01832%0.318CS..Hα-helixtrans-57.4-51.9176.41770000110.9V200 Q204 S206 R207 R208 R212 L213 A214 F257V200-V210 HydrophobicContact CB-CG1 4.03Å; V200-V210 HydrophobicContact CG1-CG1 3.89Å; V200-V210 HydrophobicContact CG2-CG1 3.82Å; Q204-V210 HydrophobicContact CB-CG2 3.92Å; Q204-V210 HydrophobicContact CG-CG2 3.52Å; S206-V210 PolarHBondContact O-N 3.06Å; R207-V210 PolarHBondContact O-N 3.17Å; R208-V210 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 3.29Å; V210-L213 PolarHBondContact O-N 3.36Å; V210-A214 WeakPolarHBondContact O-CB 3.11Å; V210-A214 PolarHBondContact O-N 3Å; V210-F257 HydrophobicContact CB-CZ 3.89Å; V210-F257 HydrophobicContact CG1-CZ 3.86Å; V210-F257 HydrophobicContact CG2-CZ 3.95Å
211L84.4Confident78.4Confident2 Ų268.4 Ų68.41%0.0134%0.339CS..Hα-helixtrans-62-42.8179.1177.758.7000112.7R207 R208 A214 L215 C261 C269 V302R207-L211 PolarHBondContact O-N 3.1Å; R207-L211 VanDerWaalsContact O-N 3.12Å; R208-L211 PolarHBondContact O-N 2.77Å; L211-A214 WeakPolarHBondContact O-CB 3.29Å; L211-A214 PolarHBondContact O-N 3.31Å; L211-L215 HydrophobicContact CD1-CD1 4.07Å; L211-L215 HydrophobicContact CD1-CG 4.19Å; L211-L215 HydrophobicContact CG-CD1 4.12Å; L211-L215 WeakPolarHBondContact O-CG 3.48Å; L211-L215 PolarHBondContact O-N 3.19Å; L211-C261 HydrophobicContact CD2-CB 3.69Å; L211-C269 HydrophobicContact CD1-CB 3.72Å; L211-V302 HydrophobicContact CD1-CG1 4.21Å; L211-V302 HydrophobicContact CD1-CG2 4.39Å
212R83Confident77.9Confident87 Ų8769.9 Ų69.933%0.32834%0.339SS..Hα-helixtrans-64.1-41.5177.6-71.6-174.3-160.5135.8-0.2112.1R208 K209 V210 A214 H216 E263R208-R212 WeakPolarHBondContact O-CG 3.37Å; R208-R212 PolarHBondContact O-N 2.88Å; K209-R212 PolarHBondContact O-N 3.04Å; V210-R212 PolarHBondContact O-N 3.29Å; R212-A214 VanDerWaalsContact C-N 3.32Å; R212-H216 WeakPolarHBondContact O-CB 3.19Å; R212-H216 PolarHBondContact O-N 3Å; R212-E263 IonicContact CZ-OE1 3.28Å; R212-E263 IonicContact NE-OE1 3.98Å; R212-E263 IonicContact NE-OE2 2.84Å; R212-E263 PolarHBondContact NE-OE2 2.92Å; R212-E263 IonicContact NH2-OE1 2.97Å; R212-E263 PolarHBondContact NH2-OE1 2.9Å; R212-E263 IonicContact NH2-OE2 2.98Å
213L83.6Confident77.3Confident87 Ų8769.3 Ų69.346%0.45534%0.335SS..Hα-helixtrans-62.8-41.9175-73.2171.1000111K209 V210 H216 S217K209-L213 WeakPolarHBondContact O-CB 3.25Å; K209-L213 WeakPolarHBondContact O-CG 3.3Å; K209-L213 PolarHBondContact O-N 3.23Å; V210-L213 PolarHBondContact O-N 3.36Å; L213-H216 PolarHBondContact O-N 3.41Å; L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.21Å
214A84.9Confident76.7Confident0 Ų071.6 Ų71.60%033%0.329CS..Hα-helixtrans-62-50.8177.400000112.8V198 V210 L211 R212 H216 S217 L218 V302V198-A214 HydrophobicContact CG1-CB 3.26Å; V210-A214 WeakPolarHBondContact O-CB 3.11Å; V210-A214 PolarHBondContact O-N 3Å; L211-A214 WeakPolarHBondContact O-CB 3.29Å; L211-A214 PolarHBondContact O-N 3.31Å; R212-A214 VanDerWaalsContact C-N 3.32Å; A214-H216 VanDerWaalsContact C-N 3.31Å; A214-H216 PolarHBondContact O-N 3.32Å; A214-S217 PolarHBondContact O-N 3.37Å; A214-L218 WeakPolarHBondContact O-CB 3.48Å; A214-L218 VanDerWaalsContact O-CG 3.3Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.37Å; A214-V302 HydrophobicContact CB-CG2 3.59Å
215L83.5Confident77Confident24 Ų2472.1 Ų72.113%0.12634%0.335CS..Hα-helixtrans-59.4-41.5176-76.2167.9000112.2L211 K219 Y267 V302L211-L215 HydrophobicContact CD1-CD1 4.07Å; L211-L215 HydrophobicContact CD1-CG 4.19Å; L211-L215 HydrophobicContact CG-CD1 4.12Å; L211-L215 WeakPolarHBondContact O-CG 3.48Å; L211-L215 PolarHBondContact O-N 3.19Å; L215-K219 VanDerWaalsContact O-CB 3.28Å; L215-K219 WeakPolarHBondContact O-CB 3.43Å; L215-K219 PolarHBondContact O-N 3.22Å; L215-Y267 HydrophobicContact CD1-CD1 4.5Å; L215-Y267 HydrophobicContact CD1-CG 4.33Å; L215-Y267 HydrophobicContact CD2-CD1 3.6Å; L215-Y267 HydrophobicContact CD2-CE1 3.82Å; L215-Y267 HydrophobicContact CD2-CG 4.23Å; L215-V302 HydrophobicContact CD2-CG1 3.67Å; L215-V302 HydrophobicContact CG-CG1 4.2Å
216H81.3Confident77.6Confident124 Ų12467.5 Ų67.557%0.57432%0.318SS*.Hα-helixtrans-64-44.7177.2-173.7-88.7000111.8R212 L213 A214 K219 A220R212-H216 WeakPolarHBondContact O-CB 3.19Å; R212-H216 PolarHBondContact O-N 3Å; L213-H216 PolarHBondContact O-N 3.41Å; A214-H216 VanDerWaalsContact C-N 3.31Å; A214-H216 PolarHBondContact O-N 3.32Å; H216-K219 PolarHBondContact O-N 3.44Å; H216-A220 WeakPolarHBondContact O-CB 3.44Å; H216-A220 PolarHBondContact O-N 3.13Å
217S78.8Confident77.8Confident34 Ų3468.1 Ų68.124%0.23832%0.321CS..Hα-helixtrans-62.1-49.5178.1-170.30000111.7L213 A214 K219 A220 Q221L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.21Å; A214-S217 PolarHBondContact O-N 3.37Å; S217-K219 VanDerWaalsContact C-N 3.31Å; S217-K219 PolarHBondContact O-N 2.93Å; S217-A220 WeakPolarHBondContact O-CB 3.44Å; S217-A220 PolarHBondContact O-N 3.01Å; S217-A220 VanDerWaalsContact O-N 3.13Å; S217-Q221 WeakPolarHBondContact O-CB 3.45Å; S217-Q221 VanDerWaalsContact O-CG 3.32Å; S217-Q221 WeakPolarHBondContact O-CG 3.38Å; S217-Q221 PolarHBondContact O-N 3.36Å; S217-Q221 PolarHBondContact OG-NE2 3.47Å
218L80.2Confident78.1Confident5 Ų562.7 Ų62.73%0.02630%0.3CS..Hα-helixtrans-63.2-37.2179.8-68.2170.3000112.2I195 A214 Q221 K222 V223 V302I195-L218 HydrophobicContact CB-CD1 4.24Å; I195-L218 HydrophobicContact CG2-CB 4.12Å; I195-L218 HydrophobicContact CG2-CD1 3.84Å; A214-L218 WeakPolarHBondContact O-CB 3.48Å; A214-L218 VanDerWaalsContact O-CG 3.3Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.37Å; L218-Q221 PolarHBondContact O-N 3.02Å; L218-K222 PolarHBondContact O-N 2.92Å; L218-V223 HydrophobicContact CD2-CG2 3.89Å; L218-V223 PolarHBondContact O-N 3.43Å; L218-V302 HydrophobicContact CD1-CB 3.71Å; L218-V302 HydrophobicContact CD1-CG1 4.41Å; L218-V302 HydrophobicContact CD1-CG2 3.63Å
219K73.5Confident78.7Confident73 Ų7358.7 Ų58.732%0.31729%0.285SS..Hα-helixtrans-68.6-36.5175.3-169.1175.9-177.11690112.4L215 H216 S217 K222 L492L215-K219 VanDerWaalsContact O-CB 3.28Å; L215-K219 WeakPolarHBondContact O-CB 3.43Å; L215-K219 PolarHBondContact O-N 3.22Å; H216-K219 PolarHBondContact O-N 3.44Å; S217-K219 VanDerWaalsContact C-N 3.31Å; S217-K219 PolarHBondContact O-N 2.93Å; K219-K222 PolarHBondContact O-N 2.9Å; K219-L492 HydrophobicContact CD-CD1 3.87Å; K219-L492 HydrophobicContact CD-CD2 3.93Å; K219-L492 HydrophobicContact CD-CG 4.18Å; K219-L492 VanDerWaalsContact NZ-CD1 3.28Å
220A72.2Confident79.3Confident74 Ų7453.5 Ų53.561%0.61226%0.262SS*.Hα-helixtrans-68.5-37.7175.800000111.8H216 S217 K222H216-A220 WeakPolarHBondContact O-CB 3.44Å; H216-A220 PolarHBondContact O-N 3.13Å; S217-A220 WeakPolarHBondContact O-CB 3.44Å; S217-A220 PolarHBondContact O-N 3.01Å; S217-A220 VanDerWaalsContact O-N 3.13Å; A220-K222 PolarHBondContact O-N 3.24Å
221Q71.4Confident79.6Confident109 Ų10956.2 Ų56.251%0.50927%0.274SS..Hα-helixtrans-72-13.6177-72.3173.71.900113.9S217 L218 V223S217-Q221 WeakPolarHBondContact O-CB 3.45Å; S217-Q221 VanDerWaalsContact O-CG 3.32Å; S217-Q221 WeakPolarHBondContact O-CG 3.38Å; S217-Q221 PolarHBondContact O-N 3.36Å; S217-Q221 PolarHBondContact OG-NE2 3.47Å; L218-Q221 PolarHBondContact O-N 3.02Å; Q221-V223 HydrophobicContact CB-CG2 3.59Å; Q221-V223 PolarHBondContact O-N 3.45Å
222K66.1Low79.9Confident100 Ų10056.1 Ų56.144%0.43527%0.273SS..THydrogen-bonded Turntrans54.740.7-176.1-57.5179.1178.9179.30112.6L218 K219 A220L218-K222 PolarHBondContact O-N 2.92Å; K219-K222 PolarHBondContact O-N 2.9Å; A220-K222 PolarHBondContact O-N 3.24Å
223V62.2Low80.2Confident40 Ų4053.8 Ų53.824%0.24227%0.265CS..  trans-62.5137.7-178.2-174.20000110.5I195 L218 Q221 V225I195-V223 WeakPolarHBondContact O-CG1 3.18Å; L218-V223 HydrophobicContact CD2-CG2 3.89Å; L218-V223 PolarHBondContact O-N 3.43Å; Q221-V223 HydrophobicContact CB-CG2 3.59Å; Q221-V223 PolarHBondContact O-N 3.45Å; V223-V225 PolarHBondContact O-N 3.16Å
224R61.8Low80.1Confident149 Ų14956.8 Ų56.856%0.56228%0.277SS*.  trans-71.3111172.9-175.1177.2179.7175.62.2110.2R226R224-R226 PolarHBondContact O-NH1 3.22Å; R224-R226 VanDerWaalsContact O-NH1 3.14Å
225V77.3Confident80Confident64 Ų6460.4 Ų60.439%0.38830%0.296SS..  trans-67.8148.3172.9-54.50000111V193 Y194 I195 V223V193-V225 HydrophobicContact CG1-CB 4Å; V193-V225 HydrophobicContact CG1-CG2 4.34Å; Y194-V225 WeakPolarHBondContact O-CA 3.33Å; I195-V225 HydrophobicContact CD1-CB 4.39Å; I195-V225 HydrophobicContact CD1-CG1 3.79Å; I195-V225 HydrophobicContact CG2-CG1 4.28Å; V223-V225 PolarHBondContact O-N 3.16Å
226R78.1Confident80.3Confident100 Ų10059.9 Ų59.938%0.37729%0.293SS..EExtended strand (participates in β ladder)trans-136.3139-178.3-66177.7177.884.7-12.3110.3V193 Y194 R224 V228V193-R226 CarbonylContact C-O 3.44Å; Y194-R226 PolarHBondContact N-O 3.39Å; Y194-R226 PolarHBondContact O-N 3.09Å; R224-R226 PolarHBondContact O-NH1 3.22Å; R224-R226 VanDerWaalsContact O-NH1 3.14Å; R226-V228 HydrophobicContact CB-CG1 4.27Å
227T84Confident80.8Confident45 Ų4554 Ų5428%0.27627%0.266SS..EExtended strand (participates in β ladder)trans-74.9132.3164.7-450000109.2V191 L192 Y318 F322V191-T227 HydrophobicContact CG1-CG2 3.49Å; V191-T227 VanDerWaalsContact CG1-CG2 3.49Å; L192-T227 CarbonylContact O-C 3.44Å; L192-T227 WeakPolarHBondContact O-CA 3.17Å; T227-Y318 HydrophobicContact CG2-CD1 3.94Å; T227-Y318 HydrophobicContact CG2-CE1 3.83Å; T227-F322 HydrophobicContact CG2-CE2 3.82Å; T227-F322 HydrophobicContact CG2-CZ 3.93Å
228V90.1Very high81.4Confident0 Ų053.1 Ų53.10%026%0.259CS..EExtended strand (participates in β ladder)trans-133.8155.9-175.8-56.70000110.4V191 L192 Y194 R226 I239 T240 I247 F303V191-V228 WeakPolarHBondContact CA-O 3.36Å; L192-V228 HydrophobicContact CB-CG2 4.3Å; L192-V228 PolarHBondContact N-O 3.3Å; L192-V228 PolarHBondContact O-N 3.34Å; Y194-V228 HydrophobicContact CG-CG1 4.49Å; R226-V228 HydrophobicContact CB-CG1 4.27Å; V228-I239 HydrophobicContact CB-CG2 3.78Å; V228-I239 HydrophobicContact CG1-CG2 4.15Å; V228-I239 HydrophobicContact CG2-CG2 3.78Å; V228-T240 WeakPolarHBondContact CA-O 3.3Å; V228-T240 WeakPolarHBondContact CB-O 3.45Å; V228-I247 HydrophobicContact CB-CD1 4.17Å; V228-I247 HydrophobicContact CG1-CD1 3.34Å; V228-F303 HydrophobicContact CG2-CE1 4.49Å
229L90.9Very high82Confident3 Ų352.9 Ų52.92%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-101.3118.2167.317567.9000108.3Q189 V191 K231 I239 T240 F322 I324Q189-L229 HydrophobicContact CB-CD1 4.18Å; V191-L229 HydrophobicContact CG2-CD1 4.15Å; L229-K231 HydrophobicContact CD2-CG 4.33Å; L229-K231 HydrophobicContact CG-CG 4.25Å; L229-I239 CarbonylContact O-C 3.52Å; L229-I239 WeakPolarHBondContact O-CA 3.47Å; L229-T240 PolarHBondContact N-O 2.99Å; L229-T240 PolarHBondContact O-N 2.84Å; L229-T240 PolarHBondContact O-OG1 2.64Å; L229-F322 HydrophobicContact CB-CD1 3.46Å; L229-F322 VanDerWaalsContact CB-CD1 3.46Å; L229-F322 HydrophobicContact CB-CE1 3.79Å; L229-F322 HydrophobicContact CB-CG 4.11Å; L229-F322 HydrophobicContact CD2-CB 4.36Å; L229-F322 HydrophobicContact CD2-CD1 4.49Å; L229-I324 HydrophobicContact CD1-CD1 4.09Å; L229-I324 HydrophobicContact CD1-CG2 4.17Å; L229-I324 HydrophobicContact CD2-CG2 3.68Å
230M93.4Very high82.7Confident0 Ų050 Ų500%025%0.246CC..EExtended strand (participates in β ladder)trans-95.2125.9170.3179.8-179.2-73.100108.7Q189 V190 L192 L237 V238 I239 F303 L367Q189-M230 CarbonylContact C-O 3.54Å; Q189-M230 WeakPolarHBondContact CA-O 3.42Å; V190-M230 HydrophobicContact CG1-CB 4.04Å; V190-M230 PolarHBondContact N-O 3.11Å; V190-M230 PolarHBondContact O-N 2.94Å; L192-M230 HydrophobicContact CD1-CB 4.07Å; L192-M230 HydrophobicContact CD1-CE 3.94Å; L192-M230 HydrophobicContact CD1-SD 4.03Å; M230-L237 HydrophobicContact SD-CD1 4.44Å; M230-V238 CarbonylContact C-O 3.6Å; M230-V238 WeakPolarHBondContact CA-O 3.44Å; M230-I239 HydrophobicContact CE-CD1 4.38Å; M230-I239 HydrophobicContact CE-CG1 4.2Å; M230-I239 HydrophobicContact CG-CG1 4.46Å; M230-F303 HydrophobicContact CE-CD1 3.97Å; M230-F303 HydrophobicContact CE-CD2 4.2Å; M230-F303 HydrophobicContact CE-CE1 3.54Å; M230-F303 HydrophobicContact CE-CE2 3.8Å; M230-F303 HydrophobicContact CE-CG 4.3Å; M230-F303 HydrophobicContact CE-CZ 3.46Å; M230-F303 VanDerWaalsContact CE-CZ 3.46Å; M230-L367 HydrophobicContact SD-CD2 4.4Å
231K91.4Very high83.2Confident60 Ų6048.9 Ų48.926%0.26123%0.23SC..EExtended strand (participates in β ladder)trans-112126.2172.2-67.4-176.1179.2-177.60108.3L186 Q189 L229 Y233 L237 V238L186-K231 HydrophobicContact CD1-CB 3.69Å; L186-K231 HydrophobicContact CD1-CD 4.36Å; L186-K231 HydrophobicContact CD1-CG 4.1Å; Q189-K231 HydrophobicContact CB-CG 4.06Å; L229-K231 HydrophobicContact CD2-CG 4.33Å; L229-K231 HydrophobicContact CG-CG 4.25Å; K231-Y233 HydrophobicContact CB-CE2 3.83Å; K231-L237 CarbonylContact O-C 3.44Å; K231-L237 WeakPolarHBondContact O-CA 3.45Å; K231-V238 HydrophobicContact CB-CB 4.36Å; K231-V238 PolarHBondContact N-O 3.24Å; K231-V238 PolarHBondContact O-N 3.21Å
232A89.7Confident83.7Confident0 Ų045.1 Ų45.10%022%0.216CC..EExtended strand (participates in β ladder)trans-104.6125.4-18000000110.3I187 F188 L237 L370I187-A232 WeakPolarHBondContact CB-O 3.2Å; I187-A232 PolarHBondContact N-O 2.98Å; F188-A232 HydrophobicContact CD1-CB 3.51Å; F188-A232 HydrophobicContact CD2-CB 4.34Å; F188-A232 HydrophobicContact CE1-CB 3.23Å; F188-A232 HydrophobicContact CE2-CB 4.11Å; F188-A232 HydrophobicContact CG-CB 4.07Å; F188-A232 HydrophobicContact CZ-CB 3.56Å; F188-A232 PolarHBondContact O-N 3.07Å; A232-L237 HydrophobicContact CB-CD2 3.59Å; A232-L370 HydrophobicContact CB-CD2 3.91Å
233Y89.1Confident84.4Confident38 Ų3848.6 Ų48.615%0.14923%0.231CC..  trans-116169.8173.3-57.1-86.5000108.9L184 L186 K231 D235 Q236 V238 N252 L370L184-Y233 HydrophobicContact CB-CD1 3.49Å; L184-Y233 VanDerWaalsContact CB-CD1 3.49Å; L184-Y233 HydrophobicContact CB-CE1 3.85Å; L184-Y233 HydrophobicContact CB-CG 4.24Å; L184-Y233 WeakPolarHBondContact O-CE1 3.42Å; L186-Y233 HydrophobicContact CB-CE1 4.11Å; L186-Y233 HydrophobicContact CD1-CE1 4.04Å; L186-Y233 HydrophobicContact CD1-CE2 4.49Å; K231-Y233 HydrophobicContact CB-CE2 3.83Å; Y233-D235 VanDerWaalsContact C-N 3.25Å; Y233-D235 PolarHBondContact O-N 3.22Å; Y233-Q236 WeakPolarHBondContact CB-O 2.96Å; Y233-Q236 HydrophobicContact CD2-CG 4.03Å; Y233-Q236 HydrophobicContact CG-CG 4.45Å; Y233-Q236 PolarHBondContact N-O 2.9Å; Y233-V238 HydrophobicContact CD2-CB 4.47Å; Y233-V238 HydrophobicContact CD2-CG2 3.93Å; Y233-V238 HydrophobicContact CE2-CB 3.96Å; Y233-V238 HydrophobicContact CE2-CG2 3.65Å; Y233-N252 PolarHBondContact O-ND2 2.94Å; Y233-L370 WeakPolarHBondContact O-CD1 3.19Å; Y233-L370 WeakPolarHBondContact O-CD2 3.27Å
234E81.7Confident85.2Confident150 Ų15049.3 Ų49.370%0.70125%0.246SC*.SBendtrans-58.2-36.3-178-168.6172.3-163.100113.3I187 N252I187-E234 HydrophobicContact CD1-CB 4.29Å; E234-N252 VanDerWaalsContact C-ND2 3.28Å; E234-N252 PolarHBondContact O-ND2 3.44Å
235D84Confident86Confident77 Ų7744.6 Ų44.641%0.41224%0.239SC..SBendtrans-104.5-19.4-174.963.8-22.4000114.3Y233 N252Y233-D235 VanDerWaalsContact C-N 3.25Å; Y233-D235 PolarHBondContact O-N 3.22Å; D235-N252 VanDerWaalsContact C-CG 3.46Å; D235-N252 VanDerWaalsContact C-ND2 3.3Å; D235-N252 WeakPolarHBondContact O-CB 3.16Å; D235-N252 PolarHBondContact O-N 2.86Å
236Q89.2Confident86.4Confident12 Ų1246 Ų466%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-154.1157.8-172.169-168.2-9.300114.4L184 Y233 V238 R249 L250 N252L184-Q236 VanDerWaalsContact CD1-NE2 3.29Å; Y233-Q236 WeakPolarHBondContact CB-O 2.96Å; Y233-Q236 HydrophobicContact CD2-CG 4.03Å; Y233-Q236 HydrophobicContact CG-CG 4.45Å; Y233-Q236 PolarHBondContact N-O 2.9Å; Q236-V238 HydrophobicContact CG-CG2 4.1Å; Q236-R249 HydrophobicContact CB-CG 4.48Å; Q236-L250 CarbonylContact C-O 3.46Å; Q236-L250 VanDerWaalsContact CA-O 3.26Å; Q236-L250 WeakPolarHBondContact CA-O 3.37Å; Q236-N252 PolarHBondContact N-ND2 2.79Å
237L91.1Very high86.6Confident2 Ų242.3 Ų42.31%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-104.2129.5164-51.6174.9000109.6M230 K231 A232 R249 L250 V270 L367 L370M230-L237 HydrophobicContact SD-CD1 4.44Å; K231-L237 CarbonylContact O-C 3.44Å; K231-L237 WeakPolarHBondContact O-CA 3.45Å; A232-L237 HydrophobicContact CB-CD2 3.59Å; L237-R249 CarbonylContact O-C 3.5Å; L237-R249 WeakPolarHBondContact O-CA 3.44Å; L237-L250 HydrophobicContact CB-CB 4.15Å; L237-L250 HydrophobicContact CD1-CD1 4.33Å; L237-L250 PolarHBondContact N-O 2.77Å; L237-L250 PolarHBondContact O-N 2.76Å; L237-V270 HydrophobicContact CD1-CG2 4.49Å; L237-L367 HydrophobicContact CD1-CD2 3.75Å; L237-L367 HydrophobicContact CD2-CD2 3.66Å; L237-L367 HydrophobicContact CG-CD2 4.36Å; L237-L370 HydrophobicContact CD2-CD2 3.78Å
238V91.9Very high86.7Confident15 Ų1540.3 Ų40.39%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-112.3120.3178.5173.90000109M230 K231 Y233 Q236 T240 L246M230-V238 CarbonylContact C-O 3.6Å; M230-V238 WeakPolarHBondContact CA-O 3.44Å; K231-V238 HydrophobicContact CB-CB 4.36Å; K231-V238 PolarHBondContact N-O 3.24Å; K231-V238 PolarHBondContact O-N 3.21Å; Y233-V238 HydrophobicContact CD2-CB 4.47Å; Y233-V238 HydrophobicContact CD2-CG2 3.93Å; Y233-V238 HydrophobicContact CE2-CB 3.96Å; Y233-V238 HydrophobicContact CE2-CG2 3.65Å; Q236-V238 HydrophobicContact CG-CG2 4.1Å; V238-T240 HydrophobicContact CG1-CG2 3.96Å; V238-L246 HydrophobicContact CG1-CD1 3.71Å
239I92.5Very high86.7Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-109.2122.3-178.3-59.1152.7000108.1V228 L229 M230 I247 N248 L250 F303V228-I239 HydrophobicContact CB-CG2 3.78Å; V228-I239 HydrophobicContact CG1-CG2 4.15Å; V228-I239 HydrophobicContact CG2-CG2 3.78Å; L229-I239 CarbonylContact O-C 3.52Å; L229-I239 WeakPolarHBondContact O-CA 3.47Å; M230-I239 HydrophobicContact CE-CD1 4.38Å; M230-I239 HydrophobicContact CE-CG1 4.2Å; M230-I239 HydrophobicContact CG-CG1 4.46Å; I239-I247 HydrophobicContact CG2-CB 4.15Å; I239-I247 HydrophobicContact CG2-CD1 4.41Å; I239-I247 HydrophobicContact CG2-CG2 4.47Å; I239-I247 PolarHBondContact O-N 2.7Å; I239-N248 HydrophobicContact CB-CB 4.46Å; I239-N248 HydrophobicContact CD1-CB 4.07Å; I239-N248 PolarHBondContact N-O 2.83Å; I239-N248 PolarHBondContact O-N 2.89Å; I239-L250 HydrophobicContact CD1-CD1 3.84Å; I239-L250 HydrophobicContact CD1-CG 4.07Å; I239-F303 HydrophobicContact CD1-CE1 4.03Å; I239-F303 HydrophobicContact CD1-CZ 3.63Å; I239-F303 HydrophobicContact CG1-CE1 4.43Å; I239-F303 HydrophobicContact CG1-CZ 4.42Å
240T88.1Confident86.6Confident12 Ų1246.6 Ų46.67%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-126.1153.2-175.554.20000111.9V228 L229 V238 A245V228-T240 WeakPolarHBondContact CA-O 3.3Å; V228-T240 WeakPolarHBondContact CB-O 3.45Å; L229-T240 PolarHBondContact N-O 2.99Å; L229-T240 PolarHBondContact O-N 2.84Å; L229-T240 PolarHBondContact O-OG1 2.64Å; V238-T240 HydrophobicContact CG1-CG2 3.96Å; T240-A245 CarbonylContact C-O 3.54Å; T240-A245 VanDerWaalsContact CA-O 3.26Å; T240-A245 WeakPolarHBondContact CA-O 3.39Å
241N84.3Confident86.4Confident51 Ų5151 Ų5127%0.27326%0.263SS..  trans-80.4179.2169.474.211.9000110.9K243 G244 A245 I247 F322N241-K243 PolarHBondContact O-N 2.83Å; N241-K243 VanDerWaalsContact O-N 3.12Å; N241-K243 WeakPolarHBondContact OD1-CA 3.13Å; N241-K243 WeakPolarHBondContact OD1-CB 3.29Å; N241-K243 PolarHBondContact OD1-N 3.39Å; N241-G244 PolarHBondContact O-N 3.19Å; N241-G244 PolarHBondContact OD1-N 3.31Å; N241-A245 PolarHBondContact N-O 3.29Å; N241-A245 WeakPolarHBondContact ND2-CB 3.48Å; N241-A245 WeakPolarHBondContact OD1-CB 3.47Å; N241-A245 PolarHBondContact OD1-N 3.05Å; N241-I247 HydrophobicContact CB-CD1 3.91Å; N241-I247 HydrophobicContact CB-CG1 4.18Å; N241-F322 VanDerWaalsContact C-CE1 3.47Å
242S81.5Confident86Confident30 Ų3048.1 Ų48.121%0.2125%0.251CS..THydrogen-bonded Turntrans-71.5-2.2179.479.60000115.2R321 F322S242-R321 VanDerWaalsContact CB-NE 3.3Å; S242-R321 PolarHBondContact OG-NE 3.13Å; S242-F322 VanDerWaalsContact CA-CD1 3.47Å; S242-F322 VanDerWaalsContact CA-CE1 3.45Å; S242-F322 VanDerWaalsContact N-CE1 3.34Å
243K79.7Confident85.6Confident173 Ų17350.9 Ų50.975%0.75227%0.27SS*.THydrogen-bonded Turntrans-99.13.7170.9-60.1-174.9177.7-1760111.4N241 A245N241-K243 PolarHBondContact O-N 2.83Å; N241-K243 VanDerWaalsContact O-N 3.12Å; N241-K243 WeakPolarHBondContact OD1-CA 3.13Å; N241-K243 WeakPolarHBondContact OD1-CB 3.29Å; N241-K243 PolarHBondContact OD1-N 3.39Å; K243-A245 VanDerWaalsContact C-N 3.25Å; K243-A245 PolarHBondContact O-N 2.89Å
244G78.7Confident85.3Confident54 Ų5449.9 Ų49.956%0.55727%0.267SS*.SBendtrans77.72.9-172.800000114.4N241N241-G244 PolarHBondContact O-N 3.19Å; N241-G244 PolarHBondContact OD1-N 3.31Å
245A78.9Confident85.5Confident50 Ų5042.8 Ų42.841%0.41323%0.234SC..  trans-72.8134.5178.600000110.5T240 N241 K243 I247T240-A245 CarbonylContact C-O 3.54Å; T240-A245 VanDerWaalsContact CA-O 3.26Å; T240-A245 WeakPolarHBondContact CA-O 3.39Å; N241-A245 PolarHBondContact N-O 3.29Å; N241-A245 WeakPolarHBondContact ND2-CB 3.48Å; N241-A245 WeakPolarHBondContact OD1-CB 3.47Å; N241-A245 PolarHBondContact OD1-N 3.05Å; K243-A245 VanDerWaalsContact C-N 3.25Å; K243-A245 PolarHBondContact O-N 2.89Å; A245-I247 PolarHBondContact O-N 2.86Å
246L86.3Confident85.5Confident93 Ų9340 Ų4049%0.48722%0.222SC..EExtended strand (participates in β ladder)trans-62.8124.6178.1-174.669.1000110.5V238 N248 R249V238-L246 HydrophobicContact CG1-CD1 3.71Å; L246-N248 WeakPolarHBondContact CD1-O 3.49Å; L246-R249 HydrophobicContact CD1-CB 4.44Å
247I82.9Confident85.4Confident24 Ų2441.1 Ų41.112%0.12323%0.227CC..EExtended strand (participates in β ladder)trans-93.6-46.9170.1-63.6172.7000109.2Y194 V228 I239 N241 A245Y194-I247 HydrophobicContact CE1-CG2 4.41Å; V228-I247 HydrophobicContact CB-CD1 4.17Å; V228-I247 HydrophobicContact CG1-CD1 3.34Å; I239-I247 HydrophobicContact CG2-CB 4.15Å; I239-I247 HydrophobicContact CG2-CD1 4.41Å; I239-I247 HydrophobicContact CG2-CG2 4.47Å; I239-I247 PolarHBondContact O-N 2.7Å; N241-I247 HydrophobicContact CB-CD1 3.91Å; N241-I247 HydrophobicContact CB-CG1 4.18Å; A245-I247 PolarHBondContact O-N 2.86Å
248N86.1Confident85.3Confident3 Ų341.8 Ų41.82%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-158.5153-179.4-160-2000111.1I239 L246 L250 H301I239-N248 HydrophobicContact CB-CB 4.46Å; I239-N248 HydrophobicContact CD1-CB 4.07Å; I239-N248 PolarHBondContact N-O 2.83Å; I239-N248 PolarHBondContact O-N 2.89Å; L246-N248 WeakPolarHBondContact CD1-O 3.49Å; N248-L250 WeakPolarHBondContact ND2-CD2 3.37Å; N248-H301 PolarHBondContact ND2-CE1 3.26Å
249R89.1Confident85Confident129 Ų12941.5 Ų41.549%0.48723%0.23SC..EExtended strand (participates in β ladder)trans-125.4122.7173.1177.4177.9-96-179.2-13107.8Q236 L237 L246Q236-R249 HydrophobicContact CB-CG 4.48Å; L237-R249 CarbonylContact O-C 3.5Å; L237-R249 WeakPolarHBondContact O-CA 3.44Å; L246-R249 HydrophobicContact CD1-CB 4.44Å
250L90.2Very high84.7Confident5 Ų543.4 Ų43.43%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-113.8116.2-178.1-49.4179.6000108.5Q236 L237 I239 N248 V270 M272 H301Q236-L250 CarbonylContact C-O 3.46Å; Q236-L250 VanDerWaalsContact CA-O 3.26Å; Q236-L250 WeakPolarHBondContact CA-O 3.37Å; L237-L250 HydrophobicContact CB-CB 4.15Å; L237-L250 HydrophobicContact CD1-CD1 4.33Å; L237-L250 PolarHBondContact N-O 2.77Å; L237-L250 PolarHBondContact O-N 2.76Å; I239-L250 HydrophobicContact CD1-CD1 3.84Å; I239-L250 HydrophobicContact CD1-CG 4.07Å; N248-L250 WeakPolarHBondContact ND2-CD2 3.37Å; L250-V270 HydrophobicContact CD1-CB 4.38Å; L250-V270 HydrophobicContact CD1-CG1 4.16Å; L250-M272 HydrophobicContact CB-CE 3.79Å; L250-M272 HydrophobicContact CB-SD 4.02Å; L250-M272 HydrophobicContact CD1-SD 4.39Å; L250-M272 HydrophobicContact CD2-CG 4.21Å; L250-M272 HydrophobicContact CD2-SD 4.38Å; L250-M272 HydrophobicContact CG-SD 4.5Å; L250-H301 VanDerWaalsContact CD2-CD2 3.48Å; L250-H301 WeakPolarHBondContact CD2-CD2 3.35Å; L250-H301 WeakPolarHBondContact CD2-NE2 3.2Å
251E87.8Confident84.2Confident93 Ų9343 Ų4344%0.43524%0.244SC..EExtended strand (participates in β ladder)trans-77.7130.3178.1-66.1173.6173.400110.6S253 N254 M272E251-S253 PolarHBondContact O-N 3.33Å; E251-N254 HydrophobicContact CB-CB 4.4Å; E251-N254 PolarHBondContact O-N 3.07Å; E251-N254 PolarHBondContact OE2-ND2 3.15Å; E251-M272 WeakPolarHBondContact O-CE 3.26Å
252N83.8Confident83.5Confident0 Ų043.5 Ų43.50%025%0.249CC..G310 helixtrans-62.5-28.4-175.9-67-14.9000112.1Y233 E234 D235 Q236 N254 V255 L370Y233-N252 PolarHBondContact O-ND2 2.94Å; E234-N252 VanDerWaalsContact C-ND2 3.28Å; E234-N252 PolarHBondContact O-ND2 3.44Å; D235-N252 VanDerWaalsContact C-CG 3.46Å; D235-N252 VanDerWaalsContact C-ND2 3.3Å; D235-N252 WeakPolarHBondContact O-CB 3.16Å; D235-N252 PolarHBondContact O-N 2.86Å; Q236-N252 PolarHBondContact N-ND2 2.79Å; N252-N254 PolarHBondContact O-N 3.16Å; N252-V255 PolarHBondContact O-N 3.36Å; N252-L370 WeakPolarHBondContact ND2-CG 3.39Å
253S80.4Confident82.8Confident57 Ų5746.1 Ų46.140%0.39926%0.258SS..G310 helixtrans-60.7-33.4172.752.40000112.6E251E251-S253 PolarHBondContact O-N 3.33Å
254N84.3Confident82.5Confident18 Ų1839 Ų3910%0.09623%0.229CC..G310 helixtrans-88.5-3.7-176.6-76.5-36.2000113.5E251 N252 A256 M272 L273 Q275E251-N254 HydrophobicContact CB-CB 4.4Å; E251-N254 PolarHBondContact O-N 3.07Å; E251-N254 PolarHBondContact OE2-ND2 3.15Å; N252-N254 PolarHBondContact O-N 3.16Å; N254-A256 PolarHBondContact O-N 3.06Å; N254-A256 VanDerWaalsContact O-N 3.16Å; N254-M272 HydrophobicContact CB-CE 3.63Å; N254-M272 CarbonylContact O-C 3.59Å; N254-M272 VanDerWaalsContact O-CA 3.23Å; N254-M272 WeakPolarHBondContact O-CA 3.48Å; N254-L273 PolarHBondContact O-N 3.2Å; N254-Q275 PolarHBondContact ND2-OE1 2.81Å; N254-Q275 WeakPolarHBondContact OD1-CG 3.45Å; N254-Q275 PolarHBondContact OD1-NE2 3.12Å; N254-Q275 PolarHBondContact OD1-OE1 3.44Å
255V85.5Confident82.4Confident1 Ų143.4 Ų43.41%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-73.9108.6179.7-178.30000110.4N252 V258 V270 T271 M272 V371 K375N252-V255 PolarHBondContact O-N 3.36Å; V255-V258 HydrophobicContact CG1-CG2 4.02Å; V255-V270 HydrophobicContact CG1-CG1 4.02Å; V255-V270 HydrophobicContact CG2-CG1 4.09Å; V255-T271 CarbonylContact C-O 3.58Å; V255-M272 HydrophobicContact CB-SD 4.33Å; V255-M272 HydrophobicContact CG2-CE 3.85Å; V255-M272 HydrophobicContact CG2-SD 3.63Å; V255-V371 HydrophobicContact CB-CG1 4.12Å; V255-V371 HydrophobicContact CB-CG2 4.1Å; V255-V371 HydrophobicContact CG1-CG1 4.04Å; V255-V371 HydrophobicContact CG1-CG2 3.89Å; V255-V371 HydrophobicContact CG2-CG2 4.24Å; V255-K375 WeakPolarHBondContact O-CE 3.38Å; V255-K375 PolarHBondContact O-NZ 3.47Å
256A84.4Confident82.5Confident19 Ų1942 Ų4216%0.15722%0.217CC..EExtended strand (participates in β ladder)trans-61-56.4170.900000110.3N254 T271 L273 K375N254-A256 PolarHBondContact O-N 3.06Å; N254-A256 VanDerWaalsContact O-N 3.16Å; A256-T271 WeakPolarHBondContact CA-O 3.4Å; A256-T271 HydrophobicContact CB-CG2 4.32Å; A256-T271 WeakPolarHBondContact CB-O 3.38Å; A256-T271 PolarHBondContact N-O 2.95Å; A256-L273 HydrophobicContact CB-CD2 3.84Å; A256-L273 HydrophobicContact CB-CG 3.85Å; A256-K375 PolarHBondContact O-NZ 3.41Å
257F87Confident82.4Confident35 Ų3539 Ų3915%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-164.1164.3178.363.2-91.5000111.6R207 V210 A259 T271R207-F257 HydrophobicContact CB-CD2 4.07Å; R207-F257 HydrophobicContact CB-CE2 3.89Å; R207-F257 HydrophobicContact CG-CD2 3.67Å; R207-F257 HydrophobicContact CG-CE2 3.89Å; R207-F257 HydrophobicContact CG-CG 4.02Å; R207-F257 HydrophobicContact CG-CZ 4.39Å; V210-F257 HydrophobicContact CB-CZ 3.89Å; V210-F257 HydrophobicContact CG1-CZ 3.86Å; V210-F257 HydrophobicContact CG2-CZ 3.95Å; F257-A259 HydrophobicContact CD2-CB 4.01Å; F257-A259 HydrophobicContact CE2-CB 3.95Å; F257-T271 HydrophobicContact CD1-CG2 4.44Å; F257-T271 HydrophobicContact CE1-CG2 3.81Å; F257-T271 WeakPolarHBondContact CE2-OG1 3.32Å; F257-T271 HydrophobicContact CZ-CG2 3.98Å; F257-T271 VanDerWaalsContact CZ-OG1 3.31Å; F257-T271 WeakPolarHBondContact CZ-OG1 3.36Å; F257-T271 PolarHBondContact N-O 3.41Å; F257-T271 PolarHBondContact O-N 2.76Å
258V88.3Confident82.8Confident16 Ų1637.8 Ų37.810%0.09719%0.194CC..EExtended strand (participates in β ladder)trans-115.1141.7167.7-165.70000108.5V255 F268 C269 V270 L364 L367 V371V255-V258 HydrophobicContact CG1-CG2 4.02Å; V258-F268 HydrophobicContact CG1-CD2 4.35Å; V258-C269 VanDerWaalsContact CA-O 3.31Å; V258-C269 WeakPolarHBondContact CA-O 3.23Å; V258-C269 VanDerWaalsContact CG1-O 3.23Å; V258-C269 WeakPolarHBondContact CG1-O 3.48Å; V258-V270 HydrophobicContact CG1-CG2 4.18Å; V258-V270 HydrophobicContact CG2-CG1 4.48Å; V258-V270 HydrophobicContact CG2-CG2 4.41Å; V258-L364 HydrophobicContact CB-CD2 4.27Å; V258-L364 HydrophobicContact CG1-CD2 3.25Å; V258-L367 HydrophobicContact CG1-CD1 4.2Å; V258-L367 HydrophobicContact CG2-CB 4.43Å; V258-V371 HydrophobicContact CG2-CG2 4.4Å
259A85.8Confident83Confident9 Ų937.7 Ų37.77%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-140.9138-177.300000112.6R207 F257 F268 C269R207-A259 HydrophobicContact CB-CB 3.86Å; F257-A259 HydrophobicContact CD2-CB 4.01Å; F257-A259 HydrophobicContact CE2-CB 3.95Å; A259-F268 CarbonylContact O-C 3.55Å; A259-F268 WeakPolarHBondContact O-CA 3.48Å; A259-F268 VanDerWaalsContact O-CB 3.26Å; A259-F268 WeakPolarHBondContact O-CB 3.19Å; A259-C269 PolarHBondContact N-O 2.84Å; A259-C269 PolarHBondContact O-N 2.84Å
260A85.6Confident83.1Confident39 Ų3931.5 Ų31.532%0.32217%0.17SC..EExtended strand (participates in β ladder)trans-90.3154.4169.500000111.3P262 L364A260-P262 WeakPolarHBondContact O-CD 3.17Å; A260-L364 HydrophobicContact CB-CD1 3.18Å
261C78.8Confident83.2Confident5 Ų531.3 Ų31.33%0.03417%0.169CC..  trans-78.9117.4163.2-179.20000108.6L211 E263 N264 Y267L211-C261 HydrophobicContact CD2-CB 3.69Å; C261-E263 VanDerWaalsContact C-N 3.25Å; C261-E263 PolarHBondContact O-N 2.93Å; C261-E263 PolarHBondContact SG-OE2 3.2Å; C261-E263 VanDerWaalsContact SG-OE2 3.33Å; C261-N264 WeakPolarHBondContact CB-O 3.19Å; C261-N264 CarbonylContact O-C 3.39Å; C261-N264 PolarHBondContact O-N 2.81Å; C261-N264 VanDerWaalsContact O-O 3.1Å; C261-N264 PolarHBondContact SG-N 2.89Å; C261-Y267 PolarHBondContact N-O 3.16Å
262P69Low83.2Confident60 Ų6027.6 Ų27.639%0.3915%0.151SC..SBendtrans-69.7-25.7-178.328.7-35000112.2R208 A260R208-P262 HydrophobicContact CG-CG 4.2Å; A260-P262 WeakPolarHBondContact O-CD 3.17Å
263E67.4Low83.3Confident85 Ų8531.6 Ų31.640%0.39717%0.172SC..SBendtrans-81.6-31.7177.8-62.985.9-157.300113.1R212 C261 C493R212-E263 IonicContact CZ-OE1 3.28Å; R212-E263 IonicContact NE-OE1 3.98Å; R212-E263 IonicContact NE-OE2 2.84Å; R212-E263 PolarHBondContact NE-OE2 2.92Å; R212-E263 IonicContact NH2-OE1 2.97Å; R212-E263 PolarHBondContact NH2-OE1 2.9Å; R212-E263 IonicContact NH2-OE2 2.98Å; C261-E263 VanDerWaalsContact C-N 3.25Å; C261-E263 PolarHBondContact O-N 2.93Å; C261-E263 PolarHBondContact SG-OE2 3.2Å; C261-E263 VanDerWaalsContact SG-OE2 3.33Å; E263-C493 HydrophobicContact CB-CB 3.41Å; E263-C493 VanDerWaalsContact CB-CB 3.41Å; E263-C493 HydrophobicContact CG-CB 3.74Å
264N71.9Confident83Confident25 Ų2532.9 Ų32.913%0.13417%0.172CC..  trans-134.6105.3-179.3-173.6-25.9000110.3C261 Q266 Y267C261-N264 WeakPolarHBondContact CB-O 3.19Å; C261-N264 CarbonylContact O-C 3.39Å; C261-N264 PolarHBondContact O-N 2.81Å; C261-N264 VanDerWaalsContact O-O 3.1Å; C261-N264 PolarHBondContact SG-N 2.89Å; N264-Q266 PolarHBondContact O-N 2.88Å; N264-Q266 VanDerWaalsContact OD1-CB 3.25Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.37Å; N264-Q266 WeakPolarHBondContact OD1-CG 3.39Å; N264-Q266 PolarHBondContact OD1-N 3.25Å; N264-Y267 HydrophobicContact CB-CD2 4.07Å; N264-Y267 WeakPolarHBondContact ND2-CE2 3.36Å; N264-Y267 PolarHBondContact O-N 2.83Å
265K76.7Confident81.8Confident146 Ų14636.1 Ų36.164%0.63519%0.186SC*.THydrogen-bonded Turntrans-65.14.8-176.6-59.2-178-178.2178.80114.8S360K265-S360 VanDerWaalsContact O-CB 3.3Å; K265-S360 WeakPolarHBondContact O-CB 3.18Å; K265-S360 PolarHBondContact O-N 3Å; K265-S360 PolarHBondContact O-OG 3.37Å
266Q81.3Confident80.1Confident19 Ų1941.5 Ų41.59%0.08922%0.215CC..THydrogen-bonded Turntrans-90.4-35.5176.5-64.1175.9-14.500112N264 A304 V305 P307N264-Q266 PolarHBondContact O-N 2.88Å; N264-Q266 VanDerWaalsContact OD1-CB 3.25Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.37Å; N264-Q266 WeakPolarHBondContact OD1-CG 3.39Å; N264-Q266 PolarHBondContact OD1-N 3.25Å; Q266-A304 CarbonylContact O-C 3.36Å; Q266-A304 VanDerWaalsContact O-CA 3.24Å; Q266-A304 WeakPolarHBondContact O-CA 3.21Å; Q266-V305 PolarHBondContact O-N 3Å; Q266-P307 VanDerWaalsContact NE2-CG 3.27Å
267Y85.2Confident78.1Confident30 Ų3045.6 Ų45.612%0.11824%0.235CC..EExtended strand (participates in β ladder)trans-93.7139.7-170.5-66-86.7000112I195 L215 C261 N264 F303 A304 L500I195-Y267 HydrophobicContact CD1-CE1 4.2Å; I195-Y267 HydrophobicContact CG1-CD1 4.49Å; I195-Y267 HydrophobicContact CG1-CE1 4.31Å; L215-Y267 HydrophobicContact CD1-CD1 4.5Å; L215-Y267 HydrophobicContact CD1-CG 4.33Å; L215-Y267 HydrophobicContact CD2-CD1 3.6Å; L215-Y267 HydrophobicContact CD2-CE1 3.82Å; L215-Y267 HydrophobicContact CD2-CG 4.23Å; C261-Y267 PolarHBondContact N-O 3.16Å; N264-Y267 HydrophobicContact CB-CD2 4.07Å; N264-Y267 WeakPolarHBondContact ND2-CE2 3.36Å; N264-Y267 PolarHBondContact O-N 2.83Å; Y267-F303 WeakPolarHBondContact CA-O 3.46Å; Y267-A304 HydrophobicContact CD1-CB 3.72Å; Y267-A304 HydrophobicContact CE1-CB 3.87Å; Y267-A304 HydrophobicContact CG-CB 4.39Å; Y267-L500 HydrophobicContact CE1-CD2 4.18Å; Y267-L500 HydrophobicContact CE2-CD1 4.23Å; Y267-L500 HydrophobicContact CE2-CD2 4.04Å; Y267-L500 VanDerWaalsContact CZ-CD2 3.49Å; Y267-L500 WeakPolarHBondContact OH-CD2 3.01Å; Y267-L500 VanDerWaalsContact OH-CG 3.24Å; Y267-L500 WeakPolarHBondContact OH-CG 2.98Å
268F90.3Very high75.9Confident0 Ų051.9 Ų51.90%027%0.269CS..EExtended strand (participates in β ladder)trans-148.8166.1170.770.5-82.2000111.2L192 V258 A259 V270 F303 V363 L364 L367L192-F268 HydrophobicContact CD1-CE1 4.22Å; L192-F268 HydrophobicContact CD1-CZ 3.65Å; L192-F268 HydrophobicContact CD2-CE1 4.01Å; L192-F268 HydrophobicContact CD2-CZ 4.25Å; V258-F268 HydrophobicContact CG1-CD2 4.35Å; A259-F268 CarbonylContact O-C 3.55Å; A259-F268 WeakPolarHBondContact O-CA 3.48Å; A259-F268 VanDerWaalsContact O-CB 3.26Å; A259-F268 WeakPolarHBondContact O-CB 3.19Å; F268-V270 HydrophobicContact CE2-CG2 4.44Å; F268-F303 HydrophobicContact CD1-CB 4Å; F268-F303 HydrophobicContact CD2-CB 4.36Å; F268-F303 HydrophobicContact CD2-CD2 4.41Å; F268-F303 HydrophobicContact CE1-CB 3.5Å; F268-F303 VanDerWaalsContact CE1-CB 3.5Å; F268-F303 HydrophobicContact CE1-CG 4.48Å; F268-F303 HydrophobicContact CE2-CB 3.89Å; F268-F303 AromaticContact CE2-CD2 3.87Å; F268-F303 HydrophobicContact CE2-CD2 3.87Å; F268-F303 HydrophobicContact CE2-CG 4.12Å; F268-F303 HydrophobicContact CG-CB 4.42Å; F268-F303 HydrophobicContact CZ-CB 3.45Å; F268-F303 VanDerWaalsContact CZ-CB 3.45Å; F268-F303 HydrophobicContact CZ-CD2 4.19Å; F268-F303 AromaticContact CZ-CG 3.96Å; F268-F303 HydrophobicContact CZ-CG 3.96Å; F268-F303 PolarHBondContact N-O 2.84Å; F268-F303 PolarHBondContact O-N 3.47Å; F268-F303 VanDerWaalsContact O-O 3.05Å; F268-V363 HydrophobicContact CE1-CG1 4.37Å; F268-V363 HydrophobicContact CE2-CG1 4.32Å; F268-V363 HydrophobicContact CZ-CG1 3.81Å; F268-L364 HydrophobicContact CB-CD1 4.21Å; F268-L364 HydrophobicContact CB-CD2 3.92Å; F268-L364 HydrophobicContact CB-CG 4.25Å; F268-L364 HydrophobicContact CD2-CD2 4.02Å; F268-L364 HydrophobicContact CG-CD2 4.19Å; F268-L364 HydrophobicContact CG-CG 4.49Å; F268-L367 HydrophobicContact CD2-CD1 4.46Å; F268-L367 HydrophobicContact CE2-CD1 3.8Å
269C90.7Very high73.4Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-134150.9172.364.30000112.7L211 V258 A259 S300 H301 V302L211-C269 HydrophobicContact CD1-CB 3.72Å; V258-C269 VanDerWaalsContact CA-O 3.31Å; V258-C269 WeakPolarHBondContact CA-O 3.23Å; V258-C269 VanDerWaalsContact CG1-O 3.23Å; V258-C269 WeakPolarHBondContact CG1-O 3.48Å; A259-C269 PolarHBondContact N-O 2.84Å; A259-C269 PolarHBondContact O-N 2.84Å; C269-S300 WeakPolarHBondContact CB-OG 3.46Å; C269-H301 CarbonylContact C-O 3.52Å; C269-H301 WeakPolarHBondContact CA-O 3.36Å; C269-H301 WeakPolarHBondContact CB-O 3.49Å; C269-V302 HydrophobicContact CB-CG2 4.18Å
270V91.9Very high71.3Confident0 Ų063.4 Ų63.40%034%0.337CS..EExtended strand (participates in β ladder)trans-108.2116.3165.7-176.70000107.1L237 L250 V255 V258 F268 M272 H301 F303 L367L237-V270 HydrophobicContact CD1-CG2 4.49Å; L250-V270 HydrophobicContact CD1-CB 4.38Å; L250-V270 HydrophobicContact CD1-CG1 4.16Å; V255-V270 HydrophobicContact CG1-CG1 4.02Å; V255-V270 HydrophobicContact CG2-CG1 4.09Å; V258-V270 HydrophobicContact CG1-CG2 4.18Å; V258-V270 HydrophobicContact CG2-CG1 4.48Å; V258-V270 HydrophobicContact CG2-CG2 4.41Å; F268-V270 HydrophobicContact CE2-CG2 4.44Å; V270-M272 HydrophobicContact CG1-SD 3.74Å; V270-H301 PolarHBondContact N-O 2.93Å; V270-H301 PolarHBondContact O-N 3.26Å; V270-F303 HydrophobicContact CB-CE2 4.45Å; V270-F303 HydrophobicContact CG2-CD2 4.46Å; V270-F303 HydrophobicContact CG2-CE2 4.12Å; V270-L367 HydrophobicContact CG2-CD1 4.26Å
271T90.5Very high69.1Low1 Ų167.3 Ų67.31%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-102.7124.2-179.4-56.20000109.9V200 V255 A256 F257 A298 I299 S300V200-T271 HydrophobicContact CG2-CG2 3.98Å; V255-T271 CarbonylContact C-O 3.58Å; A256-T271 WeakPolarHBondContact CA-O 3.4Å; A256-T271 HydrophobicContact CB-CG2 4.32Å; A256-T271 WeakPolarHBondContact CB-O 3.38Å; A256-T271 PolarHBondContact N-O 2.95Å; F257-T271 HydrophobicContact CD1-CG2 4.44Å; F257-T271 HydrophobicContact CE1-CG2 3.81Å; F257-T271 WeakPolarHBondContact CE2-OG1 3.32Å; F257-T271 HydrophobicContact CZ-CG2 3.98Å; F257-T271 VanDerWaalsContact CZ-OG1 3.31Å; F257-T271 WeakPolarHBondContact CZ-OG1 3.36Å; F257-T271 PolarHBondContact N-O 3.41Å; F257-T271 PolarHBondContact O-N 2.76Å; T271-A298 HydrophobicContact CG2-CB 3.92Å; T271-I299 CarbonylContact C-O 3.55Å; T271-I299 WeakPolarHBondContact CA-O 3.44Å; T271-S300 PolarHBondContact OG1-OG 3.38Å
272M88.9Confident67.1Low15 Ų1570.6 Ų70.67%0.07440%0.397CS..EExtended strand (participates in β ladder)trans-105.2138.9-177.1-49-59.6-6700110.7L250 E251 N254 V255 V270 A298 I299L250-M272 HydrophobicContact CB-CE 3.79Å; L250-M272 HydrophobicContact CB-SD 4.02Å; L250-M272 HydrophobicContact CD1-SD 4.39Å; L250-M272 HydrophobicContact CD2-CG 4.21Å; L250-M272 HydrophobicContact CD2-SD 4.38Å; L250-M272 HydrophobicContact CG-SD 4.5Å; E251-M272 WeakPolarHBondContact O-CE 3.26Å; N254-M272 HydrophobicContact CB-CE 3.63Å; N254-M272 CarbonylContact O-C 3.59Å; N254-M272 VanDerWaalsContact O-CA 3.23Å; N254-M272 WeakPolarHBondContact O-CA 3.48Å; V255-M272 HydrophobicContact CB-SD 4.33Å; V255-M272 HydrophobicContact CG2-CE 3.85Å; V255-M272 HydrophobicContact CG2-SD 3.63Å; V270-M272 HydrophobicContact CG1-SD 3.74Å; M272-A298 CarbonylContact O-C 3.57Å; M272-A298 WeakPolarHBondContact O-CA 3.26Å; M272-A298 WeakPolarHBondContact O-CB 3.38Å; M272-I299 PolarHBondContact N-O 3.31Å; M272-I299 PolarHBondContact O-N 3.18Å
273L85.6Confident65.5Low84 Ų8480.3 Ų80.344%0.4443%0.425SS..EExtended strand (participates in β ladder)trans-77.7147.9167.2-62.5175.8000110V202 N254 A256V202-L273 HydrophobicContact CG2-CD2 4.48Å; N254-L273 PolarHBondContact O-N 3.2Å; A256-L273 HydrophobicContact CB-CD2 3.84Å; A256-L273 HydrophobicContact CB-CG 3.85Å
274H73.1Confident64Low84 Ų8479.7 Ų79.739%0.38944%0.442SS..  trans-83.5117.9168.4-159.9-99.9000108.1D276 S297H274-D276 IonicContact CE1-OD1 2.95Å; H274-D276 PolarHBondContact CE1-OD1 3Å; H274-D276 IonicContact ND1-OD1 3.48Å; H274-D276 PolarHBondContact ND1-OD1 2.79Å; H274-S297 VanDerWaalsContact CB-O 3.29Å; H274-S297 WeakPolarHBondContact CB-O 3.37Å
275Q59Low62.1Low85 Ų8582.8 Ų82.840%0.39748%0.48SS..  trans-86.2109.8169.3-83.6179.4-16.700108.6N254 D277N254-Q275 PolarHBondContact ND2-OE1 2.81Å; N254-Q275 WeakPolarHBondContact OD1-CG 3.45Å; N254-Q275 PolarHBondContact OD1-NE2 3.12Å; N254-Q275 PolarHBondContact OD1-OE1 3.44Å; Q275-D277 PolarHBondContact O-N 3.12Å
276D50.4Low60.2Low114 Ų11479.1 Ų79.161%0.6148%0.483SS*.  trans-77.896.1166.9-67.1-23.2000108.3H274 D278H274-D276 IonicContact CE1-OD1 2.95Å; H274-D276 PolarHBondContact CE1-OD1 3Å; H274-D276 IonicContact ND1-OD1 3.48Å; H274-D276 PolarHBondContact ND1-OD1 2.79Å; D276-D278 PolarHBondContact O-N 3.1Å
277D42.1Very low58Low106 Ų10688 Ų8857%0.56753%0.525SS*.  trans-76.737.6177.8-90.8-39.7000113.5K64 Q275 S279K64-D277 IonicContact NZ-OD2 2.66Å; K64-D277 PolarHBondContact NZ-OD2 3.43Å; Q275-D277 PolarHBondContact O-N 3.12Å; D277-S279 VanDerWaalsContact C-N 3.32Å; D277-S279 PolarHBondContact O-N 2.75Å
278D41.7Very low55.8Low166 Ų16692.1 Ų92.189%0.88856%0.558SS**  trans-9342.4179.9-91.6-15.1000113.3D276D276-D278 PolarHBondContact O-N 3.1Å
279S36.2Very low53.5Low113 Ų11397.3 Ų97.379%0.7959%0.594SS**  trans-119.763.8170.1440000112.7D277D277-S279 VanDerWaalsContact C-N 3.32Å; D277-S279 PolarHBondContact O-N 2.75Å
280I42.1Very low51Low155 Ų155103.8 Ų103.880%0.79564%0.636SS**  trans-124.1115.3161.3-76.4178.1000110.6
281S38.7Very low48.2Very low120 Ų120108.7 Ų108.784%0.83967%0.671SS**  trans79.8125.115175.20000120.2
282G37Very low45.8Very low75 Ų75114 Ų11477%0.77371%0.708SS**  trans133.886.4150.500000115.6G284G282-G284 PolarHBondContact O-N 3.1Å
283R35.6Very low43.5Very low263 Ų263118.4 Ų118.499%0.99274%0.74SS**  trans-49.5123.6159.1-72.7175.7171.2-156.6-2.1109.8
284G36Very low41.7Very low73 Ų73120.2 Ų120.275%0.75375%0.754SS**  trans-179.1101.4170.900000110.8G282G282-G284 PolarHBondContact O-N 3.1Å
285G31Very low40.8Very low90 Ų90123 Ų12393%0.92877%0.772SS**  trans-65142.3-179.400000112.8
286G36.5Very low41.1Very low68 Ų68126 Ų12670%0.70179%0.786SS**  trans178.499.417300000110.1S288G286-S288 PolarHBondContact O-N 3.44Å
287Q35Very low42.3Very low207 Ų207123.1 Ų123.197%0.96778%0.775SS**  trans-60.9118175.3-64.8172.924.100109.5
288S39.9Very low44.4Very low116 Ų116118.2 Ų118.281%0.81175%0.749SS**  trans-157.7149.616154.20000110.9G286G286-S288 PolarHBondContact O-N 3.44Å
289S41.5Very low46.6Very low108 Ų108112.7 Ų112.776%0.75572%0.719SS**  trans-66.3159.1-151.9-45.90000117.4S291S289-S291 PolarHBondContact O-N 3.39Å
290P39.2Very low49.2Very low137 Ų137107.3 Ų107.389%0.8968%0.681SS**  trans-81.4111.7178.132.6-28.8000110
291S32.2Very low51.5Low103 Ų103100.3 Ų100.372%0.7265%0.645SS**  trans-134128173.160.50000112.1S289S289-S291 PolarHBondContact O-N 3.39Å
292S40Very low54Low113 Ų11394.6 Ų94.679%0.7961%0.605SS**  trans84.9108.317274.50000117.6V294S292-V294 PolarHBondContact O-N 3.02Å
293S40.7Very low56.6Low107 Ų10791 Ų9175%0.74857%0.569SS**  trans-64.5105.1169.650.50000110.2D295S293-D295 PolarHBondContact O-N 3.32Å
294V48.4Very low59.1Low121 Ų12178.6 Ų78.673%0.73352%0.522SS*.  trans-73.1111.2167.6-173.80000106.5S292 E296S292-V294 PolarHBondContact O-N 3.02Å; V294-E296 PolarHBondContact O-N 2.84Å
295D53.4Low61.4Low144 Ų14475.2 Ų75.277%0.7749%0.486SS*.  trans-61.6102.4-179.8-78.1-40.2000109.8S293 S297S293-D295 PolarHBondContact O-N 3.32Å; D295-S297 PolarHBondContact O-N 2.96Å; D295-S297 VanDerWaalsContact O-N 3.12Å
296E66.3Low63.6Low148 Ų14872.4 Ų72.469%0.69245%0.45SS*.  trans-52.1120170.2-76.6-176.6164.400109.2V202 V294V202-E296 HydrophobicContact CB-CB 4.13Å; V202-E296 HydrophobicContact CG2-CB 3.97Å; V202-E296 VanDerWaalsContact CG2-O 3.25Å; V202-E296 WeakPolarHBondContact CG2-O 3.38Å; V202-E296 PolarHBondContact N-O 3.48Å; V294-E296 PolarHBondContact O-N 2.84Å
297S74.8Confident65Low52 Ų5270.6 Ų70.636%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-117142-178.270.20000110.4H274 D295H274-S297 VanDerWaalsContact CB-O 3.29Å; H274-S297 WeakPolarHBondContact CB-O 3.37Å; D295-S297 PolarHBondContact O-N 2.96Å; D295-S297 VanDerWaalsContact O-N 3.12Å
298A85.3Confident66.4Low4 Ų464.6 Ų64.63%0.03340%0.398CS..EExtended strand (participates in β ladder)trans-114.4157.417500000109.6T199 V200 V202 T271 M272T199-A298 CarbonylContact C-O 3.53Å; T199-A298 WeakPolarHBondContact CA-O 3.32Å; V200-A298 HydrophobicContact CG2-CB 3.94Å; V200-A298 PolarHBondContact N-O 2.79Å; V200-A298 PolarHBondContact O-N 3.34Å; V202-A298 HydrophobicContact CG2-CB 3.87Å; T271-A298 HydrophobicContact CG2-CB 3.92Å; M272-A298 CarbonylContact O-C 3.57Å; M272-A298 WeakPolarHBondContact O-CA 3.26Å; M272-A298 WeakPolarHBondContact O-CB 3.38Å
299I89.2Confident67.7Low49 Ų4959.6 Ų59.625%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-111.8120.7177.2-58.8175.8000108.8V198 T199 T271 M272V198-I299 CarbonylContact O-C 3.54Å; V198-I299 WeakPolarHBondContact O-CA 3.2Å; T199-I299 HydrophobicContact CG2-CG1 4.49Å; T271-I299 CarbonylContact C-O 3.55Å; T271-I299 WeakPolarHBondContact CA-O 3.44Å; M272-I299 PolarHBondContact N-O 3.31Å; M272-I299 PolarHBondContact O-N 3.18Å
300S89.7Confident68.8Low0 Ų058.4 Ų58.40%035%0.345CS..EExtended strand (participates in β ladder)trans-99.8114.7175.6-158.60000110.5S197 V198 C269 T271S197-S300 CarbonylContact C-O 3.58Å; S197-S300 WeakPolarHBondContact CA-O 3.41Å; V198-S300 PolarHBondContact N-O 2.7Å; V198-S300 PolarHBondContact O-N 3.41Å; C269-S300 WeakPolarHBondContact CB-OG 3.46Å; T271-S300 PolarHBondContact OG1-OG 3.38Å
301H91.9Very high69.8Low9 Ų953.2 Ų53.24%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-90.9117.2174.1-62.7-70.7000109.6Y194 S197 N248 L250 C269 V270 F303Y194-H301 HydrophobicContact CE2-CB 4.22Å; Y194-H301 PolarHBondContact OH-ND1 2.98Å; Y194-H301 VanDerWaalsContact OH-ND1 3.15Å; S197-H301 PolarHBondContact OG-CE1 2.87Å; S197-H301 PolarHBondContact OG-ND1 3.09Å; N248-H301 PolarHBondContact ND2-CE1 3.26Å; L250-H301 VanDerWaalsContact CD2-CD2 3.48Å; L250-H301 WeakPolarHBondContact CD2-CD2 3.35Å; L250-H301 WeakPolarHBondContact CD2-NE2 3.2Å; C269-H301 CarbonylContact C-O 3.52Å; C269-H301 WeakPolarHBondContact CA-O 3.36Å; C269-H301 WeakPolarHBondContact CB-O 3.49Å; V270-H301 PolarHBondContact N-O 2.93Å; V270-H301 PolarHBondContact O-N 3.26Å; H301-F303 HydrophobicContact CB-CE2 3.63Å; H301-F303 HydrophobicContact CB-CZ 4.02Å; H301-F303 WeakPolarHBondContact O-CD2 3.38Å; H301-F303 WeakPolarHBondContact O-CE2 3.28Å
302V90.2Very high71.3Confident0 Ų052 Ų520%029%0.294CS..EExtended strand (participates in β ladder)trans-100.7130-175.4-176.10000110.9Y194 I195 G196 L211 A214 L215 L218 C269Y194-V302 WeakPolarHBondContact CD2-O 3.35Å; I195-V302 HydrophobicContact CB-CB 4.16Å; I195-V302 HydrophobicContact CB-CG1 4.04Å; I195-V302 HydrophobicContact CG1-CG1 4.03Å; I195-V302 PolarHBondContact N-O 3.19Å; G196-V302 PolarHBondContact O-N 3.29Å; L211-V302 HydrophobicContact CD1-CG1 4.21Å; L211-V302 HydrophobicContact CD1-CG2 4.39Å; A214-V302 HydrophobicContact CB-CG2 3.59Å; L215-V302 HydrophobicContact CD2-CG1 3.67Å; L215-V302 HydrophobicContact CG-CG1 4.2Å; L218-V302 HydrophobicContact CD1-CB 3.71Å; L218-V302 HydrophobicContact CD1-CG1 4.41Å; L218-V302 HydrophobicContact CD1-CG2 3.63Å; C269-V302 HydrophobicContact CB-CG2 4.18Å
303F92Very high72.2Confident0 Ų050.6 Ų50.60%029%0.285CS..EExtended strand (participates in β ladder)trans-125.2158.6179.2-57.9-89.8000110.6L192 V193 Y194 V228 M230 I239 Y267 F268 V270 H301L192-F303 HydrophobicContact CB-CD1 4.46Å; L192-F303 HydrophobicContact CD1-CB 4.43Å; L192-F303 HydrophobicContact CD1-CD1 4.17Å; L192-F303 HydrophobicContact CD1-CG 4.43Å; V193-F303 CarbonylContact O-C 3.21Å; V193-F303 VanDerWaalsContact O-CA 3.28Å; V193-F303 WeakPolarHBondContact O-CA 3.48Å; Y194-F303 AromaticContact CD2-CD1 3.71Å; Y194-F303 HydrophobicContact CD2-CD1 3.71Å; Y194-F303 AromaticContact CD2-CE1 3.34Å; Y194-F303 HydrophobicContact CD2-CE1 3.34Å; Y194-F303 HydrophobicContact CD2-CG 4.44Å; Y194-F303 AromaticContact CD2-CZ 3.81Å; Y194-F303 HydrophobicContact CD2-CZ 3.81Å; Y194-F303 AromaticContact CE2-CE1 3.88Å; Y194-F303 HydrophobicContact CE2-CE1 3.88Å; Y194-F303 AromaticContact CE2-CZ 3.85Å; Y194-F303 HydrophobicContact CE2-CZ 3.85Å; Y194-F303 HydrophobicContact CG-CE1 4.23Å; V228-F303 HydrophobicContact CG2-CE1 4.49Å; M230-F303 HydrophobicContact CE-CD1 3.97Å; M230-F303 HydrophobicContact CE-CD2 4.2Å; M230-F303 HydrophobicContact CE-CE1 3.54Å; M230-F303 HydrophobicContact CE-CE2 3.8Å; M230-F303 HydrophobicContact CE-CG 4.3Å; M230-F303 HydrophobicContact CE-CZ 3.46Å; M230-F303 VanDerWaalsContact CE-CZ 3.46Å; I239-F303 HydrophobicContact CD1-CE1 4.03Å; I239-F303 HydrophobicContact CD1-CZ 3.63Å; I239-F303 HydrophobicContact CG1-CE1 4.43Å; I239-F303 HydrophobicContact CG1-CZ 4.42Å; Y267-F303 WeakPolarHBondContact CA-O 3.46Å; F268-F303 HydrophobicContact CD1-CB 4Å; F268-F303 HydrophobicContact CD2-CB 4.36Å; F268-F303 HydrophobicContact CD2-CD2 4.41Å; F268-F303 HydrophobicContact CE1-CB 3.5Å; F268-F303 VanDerWaalsContact CE1-CB 3.5Å; F268-F303 HydrophobicContact CE1-CG 4.48Å; F268-F303 HydrophobicContact CE2-CB 3.89Å; F268-F303 AromaticContact CE2-CD2 3.87Å; F268-F303 HydrophobicContact CE2-CD2 3.87Å; F268-F303 HydrophobicContact CE2-CG 4.12Å; F268-F303 HydrophobicContact CG-CB 4.42Å; F268-F303 HydrophobicContact CZ-CB 3.45Å; F268-F303 VanDerWaalsContact CZ-CB 3.45Å; F268-F303 HydrophobicContact CZ-CD2 4.19Å; F268-F303 AromaticContact CZ-CG 3.96Å; F268-F303 HydrophobicContact CZ-CG 3.96Å; F268-F303 PolarHBondContact N-O 2.84Å; F268-F303 PolarHBondContact O-N 3.47Å; F268-F303 VanDerWaalsContact O-O 3.05Å; V270-F303 HydrophobicContact CB-CE2 4.45Å; V270-F303 HydrophobicContact CG2-CD2 4.46Å; V270-F303 HydrophobicContact CG2-CE2 4.12Å; H301-F303 HydrophobicContact CB-CE2 3.63Å; H301-F303 HydrophobicContact CB-CZ 4.02Å; H301-F303 WeakPolarHBondContact O-CD2 3.38Å; H301-F303 WeakPolarHBondContact O-CE2 3.28Å
304A87.5Confident73Confident1 Ų151 Ų511%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-135.5146.5170.600000111V193 I195 Q266 Y267V193-A304 HydrophobicContact CB-CB 4.28Å; V193-A304 PolarHBondContact N-O 3.38Å; V193-A304 PolarHBondContact O-N 3.42Å; I195-A304 HydrophobicContact CD1-CB 4.17Å; I195-A304 HydrophobicContact CG1-CB 4.43Å; Q266-A304 CarbonylContact O-C 3.36Å; Q266-A304 VanDerWaalsContact O-CA 3.24Å; Q266-A304 WeakPolarHBondContact O-CA 3.21Å; Y267-A304 HydrophobicContact CD1-CB 3.72Å; Y267-A304 HydrophobicContact CE1-CB 3.87Å; Y267-A304 HydrophobicContact CG-CB 4.39Å
305V83.8Confident73.9Confident2 Ų245.2 Ų45.21%0.01224%0.236CC..  trans-86.8131.7166.3175.10000108.7L192 Q266 P307 P357 V363L192-V305 HydrophobicContact CD2-CG2 3.85Å; Q266-V305 PolarHBondContact O-N 3Å; V305-P307 WeakPolarHBondContact O-CD 2.93Å; V305-P357 HydrophobicContact CG1-CB 4.42Å; V305-P357 HydrophobicContact CG1-CG 4.06Å; V305-P357 WeakPolarHBondContact CG1-O 3.49Å; V305-P357 HydrophobicContact CG2-CG 4.09Å; V305-V363 HydrophobicContact CG2-CG2 4.39Å
306D77.1Confident74.4Confident32 Ų3244.5 Ų44.517%0.17122%0.223CC..  trans-92104.9175.1-172.2-11.1000109.1V193 E308 L309V193-D306 HydrophobicContact CG2-CB 4.09Å; D306-E308 PolarHBondContact O-N 3.38Å; D306-E308 WeakPolarHBondContact OD1-CB 3.26Å; D306-E308 PolarHBondContact OD1-N 2.93Å; D306-L309 HydrophobicContact CB-CD1 3.91Å; D306-L309 HydrophobicContact CB-CG 3.97Å; D306-L309 PolarHBondContact O-N 3.29Å
307P67.9Low74.3Confident29 Ų2942.5 Ų42.519%0.18822%0.217CC..G310 helixtrans-63.6-26.7-17932.7-40.2000111.3Q266 V305 L309 H310 A497Q266-P307 VanDerWaalsContact NE2-CG 3.27Å; V305-P307 WeakPolarHBondContact O-CD 2.93Å; P307-L309 PolarHBondContact O-N 2.9Å; P307-L309 VanDerWaalsContact O-N 3.09Å; P307-H310 WeakPolarHBondContact O-CB 3.39Å; P307-H310 PolarHBondContact O-CD2 3.3Å; P307-H310 PolarHBondContact O-N 2.89Å; P307-A497 HydrophobicContact CG-CB 3.86Å
308E63.4Low74Confident82 Ų8242.4 Ų42.438%0.38321%0.208SC..G310 helixtrans-64.1-21.6-179.3-61.6-177.7176.100111.9D306 H310 Y314 R618D306-E308 PolarHBondContact O-N 3.38Å; D306-E308 WeakPolarHBondContact OD1-CB 3.26Å; D306-E308 PolarHBondContact OD1-N 2.93Å; E308-H310 VanDerWaalsContact C-N 3.33Å; E308-Y314 WeakPolarHBondContact O-CD2 3.48Å; E308-R618 IonicContact OE2-NH2 3.78Å
309L67.5Low73.4Confident11 Ų1142.4 Ų42.46%0.05821%0.208CC..G310 helixtrans-82.8-1.8177.4-59.4-178.3000113.8D306 P307 S311 H315 Y318 F356D306-L309 HydrophobicContact CB-CD1 3.91Å; D306-L309 HydrophobicContact CB-CG 3.97Å; D306-L309 PolarHBondContact O-N 3.29Å; P307-L309 PolarHBondContact O-N 2.9Å; P307-L309 VanDerWaalsContact O-N 3.09Å; L309-S311 PolarHBondContact O-N 3.37Å; L309-H315 VanDerWaalsContact O-CB 3.31Å; L309-H315 WeakPolarHBondContact O-CB 3.49Å; L309-Y318 HydrophobicContact CD1-CD1 4.13Å; L309-Y318 HydrophobicContact CD1-CD2 4.46Å; L309-Y318 HydrophobicContact CD1-CE1 4.14Å; L309-Y318 HydrophobicContact CD1-CE2 4.49Å; L309-Y318 HydrophobicContact CD1-CG 4.29Å; L309-Y318 HydrophobicContact CD2-CD2 3.52Å; L309-Y318 HydrophobicContact CD2-CE1 4.42Å; L309-Y318 HydrophobicContact CD2-CE2 3.36Å; L309-Y318 HydrophobicContact CD2-CG 4.14Å; L309-F356 HydrophobicContact CB-CD1 4.11Å
310H63.4Low72.6Confident83 Ų8347.2 Ų47.238%0.38423%0.227SC..G310 helixtrans-68.2-20.1179.275.560.2000112.6P307 E308 S352 D358P307-H310 WeakPolarHBondContact O-CB 3.39Å; P307-H310 PolarHBondContact O-CD2 3.3Å; P307-H310 PolarHBondContact O-N 2.89Å; E308-H310 VanDerWaalsContact C-N 3.33Å; H310-S352 WeakPolarHBondContact O-CB 3.36Å; H310-D358 HydrophobicContact CB-CB 3.94Å
311S60.7Low71.8Confident27 Ų2754.1 Ų54.119%0.18925%0.254CS..SBendtrans-79.3143.2-177.7102.40000111.3L309 S313 Y314 H315L309-S311 PolarHBondContact O-N 3.37Å; S311-S313 PolarHBondContact O-N 2.9Å; S311-S313 PolarHBondContact OG-OG 3.41Å; S311-Y314 PolarHBondContact O-N 2.8Å; S311-Y314 VanDerWaalsContact O-N 3.12Å; S311-Y314 WeakPolarHBondContact OG-CD2 3.49Å; S311-Y314 PolarHBondContact OG-N 3.04Å; S311-H315 PolarHBondContact O-N 3.25Å
312H64Low71.3Confident77 Ų7754.7 Ų54.736%0.35626%0.256SS..Hα-helixtrans-66-28.8-177-165.996.7000114.4H315 Y316 R328H312-H315 VanDerWaalsContact CA-CD2 3.44Å; H312-H315 WeakPolarHBondContact CA-CD2 3.38Å; H312-H315 WeakPolarHBondContact CA-NE2 3.4Å; H312-H315 AromaticContact CE1-NE2 3.72Å; H312-H315 AromaticContact CG-NE2 3.33Å; H312-H315 VanDerWaalsContact CG-NE2 3.33Å; H312-H315 AromaticContact ND1-CD2 3.97Å; H312-H315 AromaticContact ND1-CE1 3.83Å; H312-H315 AromaticContact ND1-NE2 2.96Å; H312-H315 PolarHBondContact ND1-NE2 2.99Å; H312-H315 PolarHBondContact O-CD2 3.41Å; H312-H315 VanDerWaalsContact O-CD2 3.25Å; H312-Y316 WeakPolarHBondContact O-CB 3.47Å; H312-Y316 PolarHBondContact O-N 3.42Å; H312-R328 PolarHBondContact CD2-NH2 3.08Å; H312-R328 PolarHBondContact CE1-NH2 3.28Å; H312-R328 PolarHBondContact ND1-NH2 2.67Å; H312-R328 PolarHBondContact NE2-NH2 3.01Å
313S59.9Low70.7Confident85 Ų8558 Ų5859%0.59429%0.29SS*.Hα-helixtrans-67.9-36.2174.947.10000112.2S311S311-S313 PolarHBondContact O-N 2.9Å; S311-S313 PolarHBondContact OG-OG 3.41Å
314Y56.3Low70.3Confident114 Ų11458.9 Ų58.945%0.44730%0.295SS..Hα-helixtrans-81.6-48.3-179.5-72.7-60.9000113E308 S311 Y316 L317E308-Y314 WeakPolarHBondContact O-CD2 3.48Å; S311-Y314 PolarHBondContact O-N 2.8Å; S311-Y314 VanDerWaalsContact O-N 3.12Å; S311-Y314 WeakPolarHBondContact OG-CD2 3.49Å; S311-Y314 PolarHBondContact OG-N 3.04Å; Y314-Y316 PolarHBondContact O-N 3.21Å; Y314-L317 PolarHBondContact O-N 3.03Å
315H68.2Low69.8Low1 Ų167.4 Ų67.41%0.00533%0.332CS..Hα-helixtrans-70.3-18-175.963.6-167.5000114.7L309 S311 H312 L317 Y318 A319 C326 C353 F356L309-H315 VanDerWaalsContact O-CB 3.31Å; L309-H315 WeakPolarHBondContact O-CB 3.49Å; S311-H315 PolarHBondContact O-N 3.25Å; H312-H315 VanDerWaalsContact CA-CD2 3.44Å; H312-H315 WeakPolarHBondContact CA-CD2 3.38Å; H312-H315 WeakPolarHBondContact CA-NE2 3.4Å; H312-H315 AromaticContact CE1-NE2 3.72Å; H312-H315 AromaticContact CG-NE2 3.33Å; H312-H315 VanDerWaalsContact CG-NE2 3.33Å; H312-H315 AromaticContact ND1-CD2 3.97Å; H312-H315 AromaticContact ND1-CE1 3.83Å; H312-H315 AromaticContact ND1-NE2 2.96Å; H312-H315 PolarHBondContact ND1-NE2 2.99Å; H312-H315 PolarHBondContact O-CD2 3.41Å; H312-H315 VanDerWaalsContact O-CD2 3.25Å; H315-L317 PolarHBondContact O-N 3Å; H315-Y318 CarbonylContact O-C 3.47Å; H315-Y318 PolarHBondContact O-N 3.38Å; H315-Y318 VanDerWaalsContact O-N 3.09Å; H315-A319 WeakPolarHBondContact O-CB 3.37Å; H315-A319 PolarHBondContact O-N 3.28Å; H315-C326 VanDerWaalsContact CD2-SG 3.5Å; H315-C326 PolarHBondContact CE1-SG 2.8Å; H315-C326 PolarHBondContact NE2-SG 3.06Å; H315-C353 WeakPolarHBondContact CE1-CB 3.23Å; H315-C353 PolarHBondContact CE1-SG 3.35Å; H315-F356 HydrophobicContact CB-CB 3.94Å; H315-F356 HydrophobicContact CB-CD1 3.3Å; H315-F356 HydrophobicContact CB-CD2 3.44Å; H315-F356 VanDerWaalsContact CB-CD2 3.44Å; H315-F356 HydrophobicContact CB-CE1 3.5Å; H315-F356 HydrophobicContact CB-CE2 3.65Å; H315-F356 HydrophobicContact CB-CG 3.25Å; H315-F356 HydrophobicContact CB-CZ 3.67Å; H315-F356 AromaticContact CG-CD2 3.54Å; H315-F356 AromaticContact CG-CE2 3.99Å; H315-F356 AromaticContact CG-CG 3.67Å; H315-F356 VanDerWaalsContact ND1-CB 3.33Å; H315-F356 WeakPolarHBondContact ND1-CB 3.26Å; H315-F356 AromaticContact ND1-CD2 3.28Å; H315-F356 VanDerWaalsContact ND1-CD2 3.28Å; H315-F356 WeakPolarHBondContact ND1-CD2 3.33Å; H315-F356 AromaticContact ND1-CG 3.39Å; H315-F356 WeakPolarHBondContact ND1-CG 3.25Å; H315-F356 WeakPolarHBondContact O-CZ 3.33Å
316Y62.9Low69.3Low128 Ų12869.1 Ų69.150%0.50234%0.343SS..Hα-helixtrans-62.3-38.7-179168.3-96.4000110.3H312 Y314 A319 K320H312-Y316 WeakPolarHBondContact O-CB 3.47Å; H312-Y316 PolarHBondContact O-N 3.42Å; Y314-Y316 PolarHBondContact O-N 3.21Å; Y316-A319 PolarHBondContact O-N 3.12Å; Y316-K320 WeakPolarHBondContact O-CB 3.17Å; Y316-K320 PolarHBondContact O-N 3.42Å
317L63.9Low69.1Low107 Ų10770.9 Ų70.956%0.5636%0.355SS*.Hα-helixtrans-63.9-42.6176-64175.5000111.4Y314 H315 R321Y314-L317 PolarHBondContact O-N 3.03Å; H315-L317 PolarHBondContact O-N 3Å; L317-R321 WeakPolarHBondContact O-CB 3.41Å; L317-R321 PolarHBondContact O-N 2.88Å
318Y69Low69Low49 Ų4977.6 Ų77.619%0.19238%0.377CS..Hα-helixtrans-69.8-42177.9-78.2-101.9000111.6V191 T227 L309 H315 K320 R321 F322V191-Y318 HydrophobicContact CG1-CD1 4.41Å; T227-Y318 HydrophobicContact CG2-CD1 3.94Å; T227-Y318 HydrophobicContact CG2-CE1 3.83Å; L309-Y318 HydrophobicContact CD1-CD1 4.13Å; L309-Y318 HydrophobicContact CD1-CD2 4.46Å; L309-Y318 HydrophobicContact CD1-CE1 4.14Å; L309-Y318 HydrophobicContact CD1-CE2 4.49Å; L309-Y318 HydrophobicContact CD1-CG 4.29Å; L309-Y318 HydrophobicContact CD2-CD2 3.52Å; L309-Y318 HydrophobicContact CD2-CE1 4.42Å; L309-Y318 HydrophobicContact CD2-CE2 3.36Å; L309-Y318 HydrophobicContact CD2-CG 4.14Å; H315-Y318 CarbonylContact O-C 3.47Å; H315-Y318 PolarHBondContact O-N 3.38Å; H315-Y318 VanDerWaalsContact O-N 3.09Å; Y318-K320 VanDerWaalsContact C-N 3.31Å; Y318-K320 PolarHBondContact O-N 2.89Å; Y318-R321 WeakPolarHBondContact O-CB 3.28Å; Y318-R321 PolarHBondContact O-N 3.35Å; Y318-R321 VanDerWaalsContact O-N 3.08Å; Y318-F322 HydrophobicContact CD1-CE2 4.16Å; Y318-F322 VanDerWaalsContact O-CD2 3.29Å; Y318-F322 WeakPolarHBondContact O-CD2 3.49Å; Y318-F322 PolarHBondContact O-N 3.29Å
319A72.8Confident68.7Low4 Ų474.8 Ų74.83%0.03337%0.367CS..Hα-helixtrans-56.9-47.2175.700000110.6H315 Y316 R321 F322 G323 I324 F356H315-A319 WeakPolarHBondContact O-CB 3.37Å; H315-A319 PolarHBondContact O-N 3.28Å; Y316-A319 PolarHBondContact O-N 3.12Å; A319-R321 PolarHBondContact O-N 3.06Å; A319-F322 PolarHBondContact O-N 3.03Å; A319-G323 PolarHBondContact O-N 2.98Å; A319-I324 CarbonylContact C-O 3.59Å; A319-I324 HydrophobicContact CB-CG1 3.99Å; A319-I324 PolarHBondContact O-N 2.99Å; A319-F356 HydrophobicContact CB-CE2 4.04Å; A319-F356 HydrophobicContact CB-CZ 4.04Å
320K71.7Confident67.7Low150 Ų15078.8 Ų78.865%0.65240%0.396SS*.Hα-helixtrans-61.3-43.5173.7-172.8177.2-178.6-179.60112.3Y316 Y318 F322 G323Y316-K320 WeakPolarHBondContact O-CB 3.17Å; Y316-K320 PolarHBondContact O-N 3.42Å; Y318-K320 VanDerWaalsContact C-N 3.31Å; Y318-K320 PolarHBondContact O-N 2.89Å; K320-F322 VanDerWaalsContact C-N 3.34Å; K320-F322 PolarHBondContact O-N 3.44Å; K320-G323 PolarHBondContact O-N 2.93Å
321R73.3Confident66.5Low145 Ų14580.6 Ų80.655%0.54741%0.414SS..Hα-helixtrans-64-37.3-179.7-162.8-163.2167.5143.3-3.2112.3S242 L317 Y318 A319S242-R321 VanDerWaalsContact CB-NE 3.3Å; S242-R321 PolarHBondContact OG-NE 3.13Å; L317-R321 WeakPolarHBondContact O-CB 3.41Å; L317-R321 PolarHBondContact O-N 2.88Å; Y318-R321 WeakPolarHBondContact O-CB 3.28Å; Y318-R321 PolarHBondContact O-N 3.35Å; Y318-R321 VanDerWaalsContact O-N 3.08Å; A319-R321 PolarHBondContact O-N 3.06Å
322F80.9Confident65.4Low21 Ų2183.5 Ų83.59%0.09243%0.43CS..Hα-helixtrans-89-3.5177.9-77.4-77.2000113.7V191 T227 L229 N241 S242 Y318 A319 K320 I324V191-F322 HydrophobicContact CG1-CD2 4.24Å; V191-F322 HydrophobicContact CG1-CE2 3.82Å; V191-F322 HydrophobicContact CG2-CD2 4.04Å; V191-F322 HydrophobicContact CG2-CE2 4.41Å; T227-F322 HydrophobicContact CG2-CE2 3.82Å; T227-F322 HydrophobicContact CG2-CZ 3.93Å; L229-F322 HydrophobicContact CB-CD1 3.46Å; L229-F322 VanDerWaalsContact CB-CD1 3.46Å; L229-F322 HydrophobicContact CB-CE1 3.79Å; L229-F322 HydrophobicContact CB-CG 4.11Å; L229-F322 HydrophobicContact CD2-CB 4.36Å; L229-F322 HydrophobicContact CD2-CD1 4.49Å; N241-F322 VanDerWaalsContact C-CE1 3.47Å; S242-F322 VanDerWaalsContact CA-CD1 3.47Å; S242-F322 VanDerWaalsContact CA-CE1 3.45Å; S242-F322 VanDerWaalsContact N-CE1 3.34Å; Y318-F322 HydrophobicContact CD1-CE2 4.16Å; Y318-F322 VanDerWaalsContact O-CD2 3.29Å; Y318-F322 WeakPolarHBondContact O-CD2 3.49Å; Y318-F322 PolarHBondContact O-N 3.29Å; A319-F322 PolarHBondContact O-N 3.03Å; K320-F322 VanDerWaalsContact C-N 3.34Å; K320-F322 PolarHBondContact O-N 3.44Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 HydrophobicContact CB-CG1 4.28Å; F322-I324 HydrophobicContact CB-CG2 4.47Å
323G78.9Confident64.1Low70 Ų7087.5 Ų87.572%0.72245%0.454SS*.THydrogen-bonded Turntrans68.528.7-177.600000113.9A319 K320A319-G323 PolarHBondContact O-N 2.98Å; K320-G323 PolarHBondContact O-N 2.93Å
324I83.5Confident62.9Low18 Ų1892.1 Ų92.19%0.09247%0.466CS..  trans-107.9153.1178.363.3171.9000111.2V191 L229 A319 F322 E355 F356V191-I324 HydrophobicContact CG2-CD1 3.74Å; L229-I324 HydrophobicContact CD1-CD1 4.09Å; L229-I324 HydrophobicContact CD1-CG2 4.17Å; L229-I324 HydrophobicContact CD2-CG2 3.68Å; A319-I324 CarbonylContact C-O 3.59Å; A319-I324 HydrophobicContact CB-CG1 3.99Å; A319-I324 PolarHBondContact O-N 2.99Å; F322-I324 VanDerWaalsContact C-N 3.33Å; F322-I324 HydrophobicContact CB-CG1 4.28Å; F322-I324 HydrophobicContact CB-CG2 4.47Å; I324-E355 HydrophobicContact CD1-CB 4.06Å; I324-E355 HydrophobicContact CD1-CG 4.26Å; I324-F356 HydrophobicContact CD1-CE2 4.22Å; I324-F356 HydrophobicContact CD1-CZ 4.19Å
325K76.7Confident61.7Low181 Ų18192.4 Ų92.479%0.78748%0.48SS*.  trans-88.5142.9170.3-66.1-178.3-179.1177.80109
326C72.1Confident59.8Low37 Ų3796.3 Ų96.325%0.2552%0.521CS..  trans-84.6119.7176-157.10000109.7H315 C353H315-C326 VanDerWaalsContact CD2-SG 3.5Å; H315-C326 PolarHBondContact CE1-SG 2.8Å; H315-C326 PolarHBondContact NE2-SG 3.06Å; C326-C353 HydrophobicContact CB-CB 4.35Å; C326-C353 WeakPolarHBondContact CB-SG 3.46Å; C326-C353 WeakPolarHBondContact SG-CB 3.31Å; C326-C353 CovalentContact SG-SG 2.05Å; C326-C353 PolarHBondContact SG-SG 2.72Å
327T74Confident58.2Low70 Ų7094.5 Ų94.543%0.42953%0.532SS..  trans-105.1108.6179.1-45.90000108.4A329 C353 I354 E355T327-A329 PolarHBondContact O-N 2.78Å; T327-C353 CarbonylContact O-C 3.57Å; T327-C353 WeakPolarHBondContact O-CA 3.39Å; T327-C353 VanDerWaalsContact O-CB 3.26Å; T327-C353 WeakPolarHBondContact O-CB 3.41Å; T327-I354 HydrophobicContact CG2-CD1 4.16Å; T327-I354 PolarHBondContact O-N 3.41Å; T327-E355 WeakPolarHBondContact CB-OE1 3.33Å; T327-E355 PolarHBondContact N-OE1 2.76Å; T327-E355 PolarHBondContact N-OE2 2.81Å; T327-E355 PolarHBondContact OG1-OE1 3.05Å
328R65.2Low56.7Low170 Ų17097 Ų9764%0.64255%0.546SS*.BIsolated β-bridgetrans-66.2133.7172.4-71.6-172.7177.3121.73.2108.7H312 S330H312-R328 PolarHBondContact CD2-NH2 3.08Å; H312-R328 PolarHBondContact CE1-NH2 3.28Å; H312-R328 PolarHBondContact ND1-NH2 2.67Å; H312-R328 PolarHBondContact NE2-NH2 3.01Å; R328-S330 PolarHBondContact O-N 2.89Å
329A58.1Low54.7Low22 Ų22102.6 Ų102.618%0.18258%0.578CS.*PPolyproline II helixtrans-59.4127.3166.800000107.9T327 T331 Y350 I354T327-A329 PolarHBondContact O-N 2.78Å; A329-T331 PolarHBondContact O-N 2.84Å; A329-T331 VanDerWaalsContact O-N 3.1Å; A329-Y350 HydrophobicContact CB-CD2 4.07Å; A329-I354 HydrophobicContact CB-CG1 4.13Å
330S45.6Very low52.5Low95 Ų95106.8 Ų106.866%0.66462%0.621SS**PPolyproline II helixtrans-60.9117.8173.744.30000107.9R328 T332R328-S330 PolarHBondContact O-N 2.89Å; S330-T332 PolarHBondContact O-N 2.91Å
331T39.5Very low50.4Low122 Ų122103.1 Ų103.175%0.74863%0.626SS**  trans-68.480.4164.349.40000106.9A329 N333A329-T331 PolarHBondContact O-N 2.84Å; A329-T331 VanDerWaalsContact O-N 3.1Å; T331-N333 PolarHBondContact O-N 2.98Å
332T37.8Very low48.1Very low88 Ų88102.6 Ų102.654%0.5464%0.639SS.*  trans-7396.4179.247.70000109.4S330 E334S330-T332 PolarHBondContact O-N 2.91Å; T332-E334 VanDerWaalsContact C-N 3.34Å
333N35Very low45.7Very low161 Ų161109 Ų10986%0.86166%0.663SS**  trans-91.47.2154.9-81.9-10.3000111.9T331T331-N333 PolarHBondContact O-N 2.98Å
334E34.4Very low43.2Very low181 Ų181110.6 Ų110.685%0.84666%0.659SS**  trans-115.84.6-167-56.7-159.1154.400116.5T332T332-E334 VanDerWaalsContact C-N 3.34Å
335T32.7Very low40.6Very low121 Ų121114.2 Ų114.274%0.74269%0.685SS**  trans-103.935.3177.726.30000114.1
336G28.1Very low38.4Very low83 Ų83112 Ų11286%0.85669%0.687SS**SBendtrans-94.6-2.517400000116
337A28.7Very low36.7Very low89 Ų89118 Ų11874%0.73671%0.71SS**SBendtrans-123.1-4.2-16300000117.2
338L31.8Very low34.8Very low161 Ų161117.7 Ų117.784%0.84371%0.709SS**SBendtrans-139.9121.3179.2-71.3167.9000109
339L28.6Very low33.4Very low166 Ų166114 Ų11487%0.86971%0.714SS**  trans90.183.3-177.5-47.9174.6000114G341L339-G341 PolarHBondContact O-N 3.28Å
340G25.4Very low32.6Very low92 Ų92114.9 Ų114.995%0.94871%0.713SS**  trans-57.3122.8161.400000110.4
341G28.3Very low32.7Very low73 Ų73115.5 Ų115.575%0.75372%0.718SS**  trans170.4107.8-178.600000111.7L339L339-G341 PolarHBondContact O-N 3.28Å
342T25.7Very low33.5Very low134 Ų134110.1 Ų110.182%0.82269%0.685SS**  trans-51.5146.4-174.253.70000117.3
343R29.9Very low35Very low154 Ų154106 Ų10658%0.58166%0.659SS**  trans104.196.7151.4-60.9177.7100.1179.42.2119.2G395R343-G395 PolarHBondContact NH1-O 3.34Å; R343-G395 PolarHBondContact NH2-O 3.14Å
344T26.9Very low37Very low104 Ų104102.2 Ų102.264%0.63864%0.638SS**  43.188.1122.363.20000119
345S28.7Very low39.3Very low94 Ų9494.2 Ų94.266%0.65760%0.601SS**  trans-144.689.1145.971.70000109.1F347S345-F347 PolarHBondContact O-N 3.28Å
346T30.3Very low41.6Very low135 Ų13588.5 Ų88.583%0.82857%0.566SS**  trans-69.595.1177.5-38.80000108
347F35.1Very low44.1Very low164 Ų16484.8 Ų84.872%0.71953%0.527SS*.  trans-56.1124.6158.3-76.4-82.6000106.3S345 A349S345-F347 PolarHBondContact O-N 3.28Å; F347-A349 PolarHBondContact O-N 2.88Å; F347-A349 VanDerWaalsContact O-N 3.15Å
348P35.7Very low46.1Very low63 Ų6384 Ų8441%0.40951%0.51SS..  trans-59.5126.3172.524.6-29000106.5Y350P348-Y350 VanDerWaalsContact C-N 3.3Å; P348-Y350 HydrophobicContact CG-CE1 4.5Å; P348-Y350 WeakPolarHBondContact O-CD2 3.45Å; P348-Y350 PolarHBondContact O-N 3.08Å
349A35.1Very low48.2Very low91 Ų9177.4 Ų77.475%0.75248%0.479SS*.  trans-60.197.3174.700000107.5F347 S351F347-A349 PolarHBondContact O-N 2.88Å; F347-A349 VanDerWaalsContact O-N 3.15Å; A349-S351 PolarHBondContact O-N 2.69Å; A349-S351 VanDerWaalsContact O-N 3.08Å
350Y42.4Very low50.8Low41 Ų4169.5 Ų69.516%0.16144%0.437CS..  trans-62.1116172-61.3-78.2000106.2A329 P348 S352 G362A329-Y350 HydrophobicContact CB-CD2 4.07Å; P348-Y350 VanDerWaalsContact C-N 3.3Å; P348-Y350 HydrophobicContact CG-CE1 4.5Å; P348-Y350 WeakPolarHBondContact O-CD2 3.45Å; P348-Y350 PolarHBondContact O-N 3.08Å; Y350-S352 WeakPolarHBondContact CB-O 3.12Å; Y350-S352 PolarHBondContact O-N 3.16Å; Y350-S352 VanDerWaalsContact O-N 3.12Å; Y350-G362 VanDerWaalsContact OH-CA 3.31Å; Y350-G362 WeakPolarHBondContact OH-CA 3.45Å
351S46.4Very low53.3Low109 Ų10968.4 Ų68.476%0.76241%0.412SS*.SBendtrans-70.54.9169.162.50000112A349A349-S351 PolarHBondContact O-N 2.69Å; A349-S351 VanDerWaalsContact O-N 3.08Å
352S56.4Low55.6Low9 Ų965.3 Ų65.36%0.06338%0.381CS..SBendtrans-138.7172.8-173620000112.3H310 Y350 F356H310-S352 WeakPolarHBondContact O-CB 3.36Å; Y350-S352 WeakPolarHBondContact CB-O 3.12Å; Y350-S352 PolarHBondContact O-N 3.16Å; Y350-S352 VanDerWaalsContact O-N 3.12Å; S352-F356 PolarHBondContact OG-O 3.23Å; S352-F356 VanDerWaalsContact OG-O 3.14Å
353C69.3Low58.4Low0 Ų059.3 Ų59.30%034%0.343CS..BIsolated β-bridgetrans-68.1151179.6-73.60000111.4H315 C326 T327 E355 F356H315-C353 WeakPolarHBondContact CE1-CB 3.23Å; H315-C353 PolarHBondContact CE1-SG 3.35Å; C326-C353 HydrophobicContact CB-CB 4.35Å; C326-C353 WeakPolarHBondContact CB-SG 3.46Å; C326-C353 WeakPolarHBondContact SG-CB 3.31Å; C326-C353 CovalentContact SG-SG 2.05Å; C326-C353 PolarHBondContact SG-SG 2.72Å; T327-C353 CarbonylContact O-C 3.57Å; T327-C353 WeakPolarHBondContact O-CA 3.39Å; T327-C353 VanDerWaalsContact O-CB 3.26Å; T327-C353 WeakPolarHBondContact O-CB 3.41Å; C353-E355 PolarHBondContact O-N 2.8Å; C353-F356 HydrophobicContact CB-CD2 4.25Å; C353-F356 CarbonylContact O-C 3.5Å; C353-F356 PolarHBondContact O-N 2.9Å
354I77Confident61Low82 Ų8252.9 Ų52.942%0.42132%0.321SS..THydrogen-bonded Turntrans-59.7-33.7-177.7-60.9168.3000111.4T327 A329 F356T327-I354 HydrophobicContact CG2-CD1 4.16Å; T327-I354 PolarHBondContact O-N 3.41Å; A329-I354 HydrophobicContact CB-CG1 4.13Å; I354-F356 PolarHBondContact O-N 3.23Å
355E83.9Confident63.5Low13 Ų1352.8 Ų52.86%0.06131%0.313CS..THydrogen-bonded Turntrans-75.8-8.7-179.7-57.281.918000113.7Q189 V191 I324 T327 C353Q189-E355 HydrophobicContact CG-CG 4.04Å; V191-E355 PolarHBondContact N-O 3.06Å; I324-E355 HydrophobicContact CD1-CB 4.06Å; I324-E355 HydrophobicContact CD1-CG 4.26Å; T327-E355 WeakPolarHBondContact CB-OE1 3.33Å; T327-E355 PolarHBondContact N-OE1 2.76Å; T327-E355 PolarHBondContact N-OE2 2.81Å; T327-E355 PolarHBondContact OG1-OE1 3.05Å; C353-E355 PolarHBondContact O-N 2.8Å
356F80.7Confident66Low2 Ų250.7 Ų50.71%0.00930%0.298CS..SBendtrans-134.371.7-175.5-61.6-87.1000110.8V191 L309 H315 A319 I324 S352 C353 I354V191-F356 HydrophobicContact CB-CD1 3.98Å; V191-F356 HydrophobicContact CB-CE1 3.56Å; V191-F356 HydrophobicContact CB-CZ 4.16Å; V191-F356 HydrophobicContact CG1-CE1 3.95Å; V191-F356 HydrophobicContact CG2-CD1 4.35Å; V191-F356 HydrophobicContact CG2-CE1 3.55Å; V191-F356 HydrophobicContact CG2-CE2 4.47Å; V191-F356 HydrophobicContact CG2-CZ 3.63Å; L309-F356 HydrophobicContact CB-CD1 4.11Å; H315-F356 HydrophobicContact CB-CB 3.94Å; H315-F356 HydrophobicContact CB-CD1 3.3Å; H315-F356 HydrophobicContact CB-CD2 3.44Å; H315-F356 VanDerWaalsContact CB-CD2 3.44Å; H315-F356 HydrophobicContact CB-CE1 3.5Å; H315-F356 HydrophobicContact CB-CE2 3.65Å; H315-F356 HydrophobicContact CB-CG 3.25Å; H315-F356 HydrophobicContact CB-CZ 3.67Å; H315-F356 AromaticContact CG-CD2 3.54Å; H315-F356 AromaticContact CG-CE2 3.99Å; H315-F356 AromaticContact CG-CG 3.67Å; H315-F356 VanDerWaalsContact ND1-CB 3.33Å; H315-F356 WeakPolarHBondContact ND1-CB 3.26Å; H315-F356 AromaticContact ND1-CD2 3.28Å; H315-F356 VanDerWaalsContact ND1-CD2 3.28Å; H315-F356 WeakPolarHBondContact ND1-CD2 3.33Å; H315-F356 AromaticContact ND1-CG 3.39Å; H315-F356 WeakPolarHBondContact ND1-CG 3.25Å; H315-F356 WeakPolarHBondContact O-CZ 3.33Å; A319-F356 HydrophobicContact CB-CE2 4.04Å; A319-F356 HydrophobicContact CB-CZ 4.04Å; I324-F356 HydrophobicContact CD1-CE2 4.22Å; I324-F356 HydrophobicContact CD1-CZ 4.19Å; S352-F356 PolarHBondContact OG-O 3.23Å; S352-F356 VanDerWaalsContact OG-O 3.14Å; C353-F356 HydrophobicContact CB-CD2 4.25Å; C353-F356 CarbonylContact O-C 3.5Å; C353-F356 PolarHBondContact O-N 2.9Å; I354-F356 PolarHBondContact O-N 3.23Å
357P79.7Confident68.7Low5 Ų544.3 Ų44.33%0.03226%0.259CS..  trans-66.1154.7177.729.4-35000110.6V190 V305 V363V190-P357 VanDerWaalsContact CG2-CD 3.48Å; V190-P357 HydrophobicContact CG2-CG 3.76Å; V305-P357 HydrophobicContact CG1-CB 4.42Å; V305-P357 HydrophobicContact CG1-CG 4.06Å; V305-P357 WeakPolarHBondContact CG1-O 3.49Å; V305-P357 HydrophobicContact CG2-CG 4.09Å; P357-V363 HydrophobicContact CB-CG2 4.33Å; P357-V363 HydrophobicContact CG-CG2 3.64Å
358D71.9Confident70.9Confident71 Ų7138.8 Ų38.838%0.3824%0.241SC..SBendtrans-91.1-16.4172.959.1-11.3000112.6H310H310-D358 HydrophobicContact CB-CB 3.94Å
359A75Confident72.8Confident23 Ų2338.5 Ų38.519%0.1924%0.241CC..SBendtrans-143.1152.9177.700000112.6V361A359-V361 PolarHBondContact O-N 3.24Å
360S83.4Confident74.8Confident0 Ų034.7 Ų34.70%021%0.207CC..Hα-helixtrans-69.2-15.1179.975.60000113.8K265 G362 V363 L364K265-S360 VanDerWaalsContact O-CB 3.3Å; K265-S360 WeakPolarHBondContact O-CB 3.18Å; K265-S360 PolarHBondContact O-N 3Å; K265-S360 PolarHBondContact O-OG 3.37Å; S360-G362 PolarHBondContact O-N 3.05Å; S360-V363 PolarHBondContact O-N 2.99Å; S360-L364 WeakPolarHBondContact O-CB 3.29Å; S360-L364 WeakPolarHBondContact O-CG 3.44Å; S360-L364 PolarHBondContact O-N 3.48Å
361V78.2Confident76.3Confident70 Ų7033.3 Ų33.342%0.42420%0.203SC..Hα-helixtrans-60.8-43-174.7-178.40000111.6A359 L364 Q365A359-V361 PolarHBondContact O-N 3.24Å; V361-L364 PolarHBondContact O-N 3.46Å; V361-Q365 WeakPolarHBondContact O-CG 3.32Å; V361-Q365 PolarHBondContact O-N 2.79Å
362G75Confident77.4Confident8 Ų834.4 Ų34.48%0.08220%0.196CC..Hα-helixtrans-62.7-45.6177.900000112.4Y350 S360 L364 Q365 S366Y350-G362 VanDerWaalsContact OH-CA 3.31Å; Y350-G362 WeakPolarHBondContact OH-CA 3.45Å; S360-G362 PolarHBondContact O-N 3.05Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 3.39Å; G362-Q365 PolarHBondContact O-N 2.86Å; G362-S366 PolarHBondContact O-N 3.25Å; G362-S366 PolarHBondContact O-OG 3.27Å
363V84.5Confident77.6Confident7 Ų740.3 Ų40.34%0.04222%0.223CC..Hα-helixtrans-60.9-42.4176.7-174.10000111.1V190 L192 F268 V305 P357 S360 S366 L367V190-V363 HydrophobicContact CG1-CG1 4.31Å; V190-V363 HydrophobicContact CG2-CG2 4.1Å; L192-V363 HydrophobicContact CD2-CG2 4.43Å; F268-V363 HydrophobicContact CE1-CG1 4.37Å; F268-V363 HydrophobicContact CE2-CG1 4.32Å; F268-V363 HydrophobicContact CZ-CG1 3.81Å; V305-V363 HydrophobicContact CG2-CG2 4.39Å; P357-V363 HydrophobicContact CB-CG2 4.33Å; P357-V363 HydrophobicContact CG-CG2 3.64Å; S360-V363 PolarHBondContact O-N 2.99Å; V363-S366 PolarHBondContact O-N 3.05Å; V363-L367 HydrophobicContact CG1-CD1 3.94Å; V363-L367 HydrophobicContact CG1-CG 4.32Å; V363-L367 WeakPolarHBondContact O-CB 3.33Å; V363-L367 WeakPolarHBondContact O-CG 3.44Å; V363-L367 PolarHBondContact O-N 2.8Å
364L85.8Confident77Confident19 Ų1941.7 Ų41.710%0.09923%0.232CC..Hα-helixtrans-66.3-36.5179.8-75.4171.6000113.4V258 A260 F268 S360 V361 G362 S368V258-L364 HydrophobicContact CB-CD2 4.27Å; V258-L364 HydrophobicContact CG1-CD2 3.25Å; A260-L364 HydrophobicContact CB-CD1 3.18Å; F268-L364 HydrophobicContact CB-CD1 4.21Å; F268-L364 HydrophobicContact CB-CD2 3.92Å; F268-L364 HydrophobicContact CB-CG 4.25Å; F268-L364 HydrophobicContact CD2-CD2 4.02Å; F268-L364 HydrophobicContact CG-CD2 4.19Å; F268-L364 HydrophobicContact CG-CG 4.49Å; S360-L364 WeakPolarHBondContact O-CB 3.29Å; S360-L364 WeakPolarHBondContact O-CG 3.44Å; S360-L364 PolarHBondContact O-N 3.48Å; V361-L364 PolarHBondContact O-N 3.46Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 3.39Å; L364-S368 VanDerWaalsContact O-CB 3.22Å; L364-S368 WeakPolarHBondContact O-CB 3.46Å; L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 2.79Å
365Q79.7Confident76.1Confident102 Ų10240.9 Ų40.948%0.47723%0.226SC..Hα-helixtrans-62.1-48.9174.1-74.5173.9-1500109.9V361 G362 L367 S368 S369V361-Q365 WeakPolarHBondContact O-CG 3.32Å; V361-Q365 PolarHBondContact O-N 2.79Å; G362-Q365 PolarHBondContact O-N 2.86Å; Q365-L367 PolarHBondContact O-N 3.43Å; Q365-S368 PolarHBondContact O-N 3.36Å; Q365-S369 PolarHBondContact O-N 3.44Å; Q365-S369 PolarHBondContact O-OG 3.05Å
366S80.7Confident74.5Confident50 Ų5045.4 Ų45.435%0.3526%0.259SS..Hα-helixtrans-61-43.4177.3-55.80000112.8F188 G362 V363 L370F188-S366 VanDerWaalsContact CE1-CB 3.49Å; G362-S366 PolarHBondContact O-N 3.25Å; G362-S366 PolarHBondContact O-OG 3.27Å; V363-S366 PolarHBondContact O-N 3.05Å; S366-L370 WeakPolarHBondContact O-CB 3.46Å; S366-L370 PolarHBondContact O-N 3.39Å; S366-L370 VanDerWaalsContact O-N 3.07Å
367L86.4Confident73Confident1 Ų151.1 Ų51.11%0.00529%0.294CS..Hα-helixtrans-68.7-40.3177.4-72.2176000113F188 M230 L237 V258 F268 V270 V363 Q365 L370 V371F188-L367 HydrophobicContact CE1-CD2 4.36Å; F188-L367 HydrophobicContact CZ-CD2 3.73Å; F188-L367 HydrophobicContact CZ-CG 4Å; M230-L367 HydrophobicContact SD-CD2 4.4Å; L237-L367 HydrophobicContact CD1-CD2 3.75Å; L237-L367 HydrophobicContact CD2-CD2 3.66Å; L237-L367 HydrophobicContact CG-CD2 4.36Å; V258-L367 HydrophobicContact CG1-CD1 4.2Å; V258-L367 HydrophobicContact CG2-CB 4.43Å; F268-L367 HydrophobicContact CD2-CD1 4.46Å; F268-L367 HydrophobicContact CE2-CD1 3.8Å; V270-L367 HydrophobicContact CG2-CD1 4.26Å; V363-L367 HydrophobicContact CG1-CD1 3.94Å; V363-L367 HydrophobicContact CG1-CG 4.32Å; V363-L367 WeakPolarHBondContact O-CB 3.33Å; V363-L367 WeakPolarHBondContact O-CG 3.44Å; V363-L367 PolarHBondContact O-N 2.8Å; Q365-L367 PolarHBondContact O-N 3.43Å; L367-L370 WeakPolarHBondContact O-CB 3.47Å; L367-L370 PolarHBondContact O-N 3.29Å; L367-V371 VanDerWaalsContact O-CG2 3.26Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 2.9Å
368S81.8Confident71Confident48 Ų4857.4 Ų57.434%0.33632%0.323SS..Hα-helixtrans-66.2-43.1-179.8-57.80000110.6L364 Q365 L370 V371 E372L364-S368 VanDerWaalsContact O-CB 3.22Å; L364-S368 WeakPolarHBondContact O-CB 3.46Å; L364-S368 PolarHBondContact O-N 2.87Å; L364-S368 PolarHBondContact O-OG 2.79Å; Q365-S368 PolarHBondContact O-N 3.36Å; S368-L370 PolarHBondContact O-N 2.97Å; S368-V371 PolarHBondContact O-N 3.44Å; S368-E372 WeakPolarHBondContact O-CB 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.45Å; S368-E372 PolarHBondContact O-N 3.13Å
369S76.2Confident68.8Low58 Ų5861.2 Ų61.241%0.40635%0.348SS..Hα-helixtrans-56.4-52171.4-63.60000110Q365 V371 E372 H373Q365-S369 PolarHBondContact O-N 3.44Å; Q365-S369 PolarHBondContact O-OG 3.05Å; S369-V371 VanDerWaalsContact C-N 3.33Å; S369-V371 PolarHBondContact O-N 2.85Å; S369-E372 PolarHBondContact O-N 3.42Å; S369-H373 PolarHBondContact O-N 3.43Å; S369-H373 PolarHBondContact O-ND1 3.33Å
370L77.3Confident66.5Low11 Ų1164.6 Ų64.66%0.05837%0.369CS..Hα-helixtrans-55.7-44.9-178.9-175.259.8000113.8I187 A232 Y233 L237 N252 S366 L367 S368 H373 S374I187-L370 HydrophobicContact CD1-CD1 3.31Å; A232-L370 HydrophobicContact CB-CD2 3.91Å; Y233-L370 WeakPolarHBondContact O-CD1 3.19Å; Y233-L370 WeakPolarHBondContact O-CD2 3.27Å; L237-L370 HydrophobicContact CD2-CD2 3.78Å; N252-L370 WeakPolarHBondContact ND2-CG 3.39Å; S366-L370 WeakPolarHBondContact O-CB 3.46Å; S366-L370 PolarHBondContact O-N 3.39Å; S366-L370 VanDerWaalsContact O-N 3.07Å; L367-L370 WeakPolarHBondContact O-CB 3.47Å; L367-L370 PolarHBondContact O-N 3.29Å; S368-L370 PolarHBondContact O-N 2.97Å; L370-H373 PolarHBondContact O-N 2.96Å; L370-S374 PolarHBondContact O-N 3.32Å; L370-S374 VanDerWaalsContact O-N 3.15Å
371V72.7Confident63.8Low12 Ų1275.9 Ų75.97%0.07341%0.412CS..Hα-helixtrans-72.7-30.6-178.7175.90000112.4V255 V258 L367 S368 S369 S374 K375V255-V371 HydrophobicContact CB-CG1 4.12Å; V255-V371 HydrophobicContact CB-CG2 4.1Å; V255-V371 HydrophobicContact CG1-CG1 4.04Å; V255-V371 HydrophobicContact CG1-CG2 3.89Å; V255-V371 HydrophobicContact CG2-CG2 4.24Å; V258-V371 HydrophobicContact CG2-CG2 4.4Å; L367-V371 VanDerWaalsContact O-CG2 3.26Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 2.9Å; S368-V371 PolarHBondContact O-N 3.44Å; S369-V371 VanDerWaalsContact C-N 3.33Å; S369-V371 PolarHBondContact O-N 2.85Å; V371-S374 PolarHBondContact O-OG 3.17Å; V371-K375 HydrophobicContact CG1-CD 4.15Å; V371-K375 WeakPolarHBondContact O-CG 3.48Å; V371-K375 PolarHBondContact O-N 3.38Å
372E70.2Confident61.5Low132 Ų13276.5 Ų76.562%0.61742%0.416SS*.Hα-helixtrans-71.9-35.5174.5-75176.2-179.700112.1S368 S369 S376S368-E372 WeakPolarHBondContact O-CB 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.45Å; S368-E372 PolarHBondContact O-N 3.13Å; S369-E372 PolarHBondContact O-N 3.42Å; E372-S376 PolarHBondContact O-N 3.28Å; E372-S376 PolarHBondContact O-OG 3.34Å
373H60.7Low59.5Low133 Ų13381.3 Ų81.362%0.61644%0.443SS*.Hα-helixtrans-68-40.5175.5-70.779.7000111.3S369 L370 S376S369-H373 PolarHBondContact O-N 3.43Å; S369-H373 PolarHBondContact O-ND1 3.33Å; L370-H373 PolarHBondContact O-N 2.96Å; H373-S376 PolarHBondContact O-N 3.16Å
374S57.2Low57Low28 Ų2886.8 Ų86.820%0.19648%0.477CS..Hα-helixtrans-67.2-39.9178.165.70000113L370 V371 S376 T377L370-S374 PolarHBondContact O-N 3.32Å; L370-S374 VanDerWaalsContact O-N 3.15Å; V371-S374 PolarHBondContact O-OG 3.17Å; S374-S376 VanDerWaalsContact C-N 3.32Å; S374-S376 PolarHBondContact O-N 3.33Å; S374-T377 PolarHBondContact O-N 2.73Å
375K56.2Low54.5Low66 Ų6690.2 Ų90.229%0.28750%0.495SS..Hα-helixtrans-72.4-21179.6-71.9179.4-179.4-177.10114.3V255 A256 V371 T377 E378 V382V255-K375 WeakPolarHBondContact O-CE 3.38Å; V255-K375 PolarHBondContact O-NZ 3.47Å; A256-K375 PolarHBondContact O-NZ 3.41Å; V371-K375 HydrophobicContact CG1-CD 4.15Å; V371-K375 WeakPolarHBondContact O-CG 3.48Å; V371-K375 PolarHBondContact O-N 3.38Å; K375-T377 PolarHBondContact O-N 2.7Å; K375-E378 PolarHBondContact O-N 3.14Å; K375-V382 HydrophobicContact CD-CG2 4.05Å
376S51.6Low52.1Low108 Ų10891 Ų9176%0.75551%0.512SS*.THydrogen-bonded Turntrans-72.4-16.2177-61.30000112.6E372 H373 S374E372-S376 PolarHBondContact O-N 3.28Å; E372-S376 PolarHBondContact O-OG 3.34Å; H373-S376 PolarHBondContact O-N 3.16Å; S374-S376 VanDerWaalsContact C-N 3.32Å; S374-S376 PolarHBondContact O-N 3.33Å
377T49Very low49.7Very low122 Ų12290.6 Ų90.675%0.74852%0.516SS*.SBendtrans-91.1-14.8-179.9-46.60000112.5S374 K375S374-T377 PolarHBondContact O-N 2.73Å; K375-T377 PolarHBondContact O-N 2.7Å
378E36.7Very low47.2Very low137 Ų13795.4 Ų95.464%0.6454%0.542SS*.SBendtrans-127.4121178.2-70.1-168153.400112.4K375 C380K375-E378 PolarHBondContact O-N 3.14Å; E378-C380 PolarHBondContact O-N 3.02Å
379V26.4Very low44.8Very low150 Ų150102.5 Ų102.591%0.90956%0.561SS**  trans-7294.3178.3-179.50000110.3
380C26.6Very low42.6Very low94 Ų94105 Ų10564%0.63558%0.576SS**  trans-174.6133.7146-107.20000117.6E378E378-C380 PolarHBondContact O-N 3.02Å
381R26.7Very low40.1Very low238 Ų238110.5 Ų110.590%0.89862%0.615SS**  trans40.391.1145-63.5180176.5140.8-0.1118.7
382V31.2Very low38Very low82 Ų82117 Ų11750%0.49764%0.643SS.*  trans-117.7123.2158.1179.60000110.2K375 T384K375-V382 HydrophobicContact CD-CG2 4.05Å; V382-T384 PolarHBondContact O-N 3.44Å
383V32.5Very low36.1Very low109 Ų109116.4 Ų116.466%0.66165%0.648SS**  trans-60.3112.6171.1177.70000108.8
384T31.9Very low34.4Very low122 Ų122118.3 Ų118.375%0.74866%0.657SS**  trans-77.5122.9169.946.70000109.1V382V382-T384 PolarHBondContact O-N 3.44Å
385D32.7Very low33Very low91 Ų91118.9 Ų118.949%0.48767%0.667SS.*  trans-97113.3159.9-169.18.6000107.1G387D385-G387 PolarHBondContact O-N 3.47Å
386S30.4Very low31.5Very low120 Ų120127.1 Ų127.184%0.83970%0.696SS**  trans-76.473.8176.6-53.20000109
387G29.9Very low30.4Very low41 Ų41127.3 Ų127.342%0.42370%0.698SS.*SBendtrans-175.3123.2176.200000109.8D385D385-G387 PolarHBondContact O-N 3.47Å
388D33.5Very low29.3Very low102 Ų102132.2 Ų132.255%0.54570%0.703SS.*  trans83.847.8-178.4-42.9-55.9000116.8R208R208-D388 IonicContact CZ-OD1 3.16Å; R208-D388 IonicContact CZ-OD2 3.93Å; R208-D388 IonicContact NE-OD2 3.88Å; R208-D388 PolarHBondContact NE-OD2 2.93Å; R208-D388 IonicContact NH1-OD1 3.41Å; R208-D388 PolarHBondContact NH1-OD1 3.35Å; R208-D388 IonicContact NH1-OD2 3.58Å; R208-D388 PolarHBondContact NH1-OD2 3.36Å; R208-D388 IonicContact NH2-OD1 3.76Å; R208-D388 PolarHBondContact NH2-OD1 3Å; R208-D388 IonicContact NH2-OD2 2.7Å; R208-D388 PolarHBondContact NH2-OD2 3.42Å; R208-D388 VanDerWaalsContact NH2-OD2 3.1Å
389R31.3Very low28.9Very low196 Ų196132.6 Ų132.674%0.7471%0.709SS**  trans-74.6127.1157-146.8178.9-170.4-163.13.5107.8S391R389-S391 PolarHBondContact O-N 3.48Å
390P29.4Very low28.9Very low112 Ų112135.6 Ų135.673%0.72771%0.71SS**  trans-60.3130.2165.326.6-29.6000106.8F392P390-F392 PolarHBondContact O-N 2.92Å
391S25.7Very low28.9Very low126 Ų126139.1 Ų139.188%0.88172%0.721SS**  trans-52.3106.2-174.850.90000111R389R389-S391 PolarHBondContact O-N 3.48Å
392F28.7Very low28.9Very low147 Ų147131.7 Ų131.765%0.64571%0.711SS**  trans-125.7127169.2-153.9-93.4000109.1P390 E394P390-F392 PolarHBondContact O-N 2.92Å; F392-E394 PolarHBondContact O-N 3.19Å
393V29.2Very low28.7Very low120 Ų120136.5 Ų136.573%0.72773%0.728SS**  trans-61117.1-174.3176.40000110.2
394E25.9Very low28.3Very low174 Ų174142.7 Ų142.781%0.81374%0.739SS**  trans-66128168.8-92.5175.4163.600110.5F392F392-E394 PolarHBondContact O-N 3.19Å
395G26.7Very low28Very low39 Ų39142.3 Ų142.340%0.40274%0.742SS.*  trans17894169.300000112.1R343R343-G395 PolarHBondContact NH1-O 3.34Å; R343-G395 PolarHBondContact NH2-O 3.14Å
396R25.8Very low27.8Very low239 Ų239147 Ų14790%0.90276%0.758SS**  trans39.8119.7151.7-72.1175.7170.8172.8-3.7115.6
397S28.3Very low27.5Very low113 Ų113146.9 Ų146.979%0.7975%0.754SS**  174146.567.6-1670000107.3
398R25.5Very low27.3Very low225 Ų225154.8 Ų154.885%0.84978%0.777SS**  trans-56151.8165.8-68.4167.3169.8157.4-5.1109.6
399N27.7Very low27Very low145 Ų145154.4 Ų154.478%0.77578%0.783SS**  trans109.697.7175.9-55.4-19.1000112.2
400F27Very low26.6Very low212 Ų212154.9 Ų154.993%0.9379%0.79SS**  trans-17968.5140.7-96.9-70.4000107.8
401I27.1Very low26.5Very low168 Ų168155 Ų15586%0.86279%0.791SS**  trans-91.9142.8155.8-70.1173.5000105.9
402A26.5Very low26.4Very low82 Ų82154.3 Ų154.368%0.67879%0.786SS**SBendtrans91.6133.1171.100000116.7
403Q25.9Very low26.3Very low183 Ų183153 Ų15386%0.85579%0.791SS**  trans83.677.2164.4-53.6-175.2-38.600117.9
404R25.2Very low26.2Very low239 Ų239152.3 Ų152.390%0.90279%0.791SS**  trans-143.287.7134-79.3-160171.8177.8-3.8110.2F406R404-F406 PolarHBondContact O-N 3.47Å
405S25.8Very low26.3Very low115 Ų115151.6 Ų151.680%0.80479%0.792SS**  trans-60.7123157.426.10000108.9
406F27.2Very low26.2Very low190 Ų190155.3 Ų155.383%0.83381%0.811SS**  trans-61.8136.4162.5-76.4-85.6000108.4R404 K408R404-F406 PolarHBondContact O-N 3.47Å; F406-K408 PolarHBondContact O-N 3.21Å
407P25.7Very low26.4Very low116 Ų116148.8 Ų148.875%0.75380%0.8SS**  trans-67104.4-179.726.1-29.7000109.3S409P407-S409 VanDerWaalsContact C-N 3.32Å; P407-S409 PolarHBondContact O-N 2.99Å
408K25.3Very low26.6Very low207 Ų207148 Ų14890%0.979%0.79SS**  trans-77.881.2160.9-73.1-177.3177.2-178.40108.1F406F406-K408 PolarHBondContact O-N 3.21Å
409S26Very low27Very low95 Ų95143.7 Ų143.766%0.66478%0.784SS**  trans-164.4114.5161.346.60000111.1P407 P411P407-S409 VanDerWaalsContact C-N 3.32Å; P407-S409 PolarHBondContact O-N 2.99Å; S409-P411 WeakPolarHBondContact O-CD 3.35Å
410F24.1Very low27.6Very low206 Ų206139.6 Ų139.690%0.90477%0.77SS**  trans-70.9123.9161.7-76.2-92.5000108.6
411P26Very low28.3Very low114 Ų114135.5 Ų135.574%0.7475%0.754SS**  trans-84.2106.7152.718.4-2000107.3S409 T413S409-P411 WeakPolarHBondContact O-CD 3.35Å; P411-T413 PolarHBondContact O-N 3.04Å; P411-T413 VanDerWaalsContact O-N 3.1Å
412S25.6Very low28.8Very low112 Ų112133.4 Ų133.478%0.78374%0.741SS**  trans-65.794160.248.10000108.9
413T26.1Very low29.4Very low120 Ų120138.3 Ų138.374%0.73674%0.742SS**  trans-152121.5161.538.70000111P411 N415P411-T413 PolarHBondContact O-N 3.04Å; P411-T413 VanDerWaalsContact O-N 3.1Å; T413-N415 PolarHBondContact O-N 3.26Å
414S26.8Very low30.1Very low104 Ų104137 Ų13773%0.72774%0.736SS**  trans-36125.8160.251.80000112.7
415N27.4Very low30.7Very low159 Ų159131.7 Ų131.785%0.8572%0.724SS**  trans178.493.6137.4-85.2-19.1000108.1T413T413-N415 PolarHBondContact O-N 3.26Å
416C25.5Very low31.3Very low118 Ų118134.2 Ų134.280%0.79772%0.716SS**PPolyproline II helixtrans-73130.6166.3-77.30000108.7T418C416-T418 PolarHBondContact O-N 3.48Å
417P29Very low31.8Very low102 Ų102133 Ų13366%0.66271%0.711SS**PPolyproline II helixtrans-66.4124.7163.128.6-27.9000107
418T34.1Very low32.3Very low95 Ų95129.5 Ų129.558%0.58370%0.695SS**PPolyproline II helixtrans-73155.4-179.840.60000110.2C416 A420 E421C416-T418 PolarHBondContact O-N 3.48Å; T418-A420 PolarHBondContact O-N 2.89Å; T418-E421 PolarHBondContact O-N 2.95Å
419D33.7Very low32.8Very low136 Ų136126.2 Ų126.273%0.72768%0.683SS**THydrogen-bonded Turntrans-48.7-5.2173.2-75.4-49.2000115.3R423D419-R423 WeakPolarHBondContact O-CB 3.31Å; D419-R423 WeakPolarHBondContact O-CD 3.22Å; D419-R423 VanDerWaalsContact O-CG 3.32Å; D419-R423 WeakPolarHBondContact O-CG 3.01Å
420A39.5Very low33.2Very low59 Ų59129.7 Ų129.749%0.48869%0.689SS.*THydrogen-bonded Turntrans-84-32.2175.900000113.8T418 Q424T418-A420 PolarHBondContact O-N 2.89Å; A420-Q424 PolarHBondContact O-N 2.86Å
421E41.1Very low33.6Very low126 Ų126123.2 Ų123.259%0.58967%0.674SS**THydrogen-bonded Turntrans-82.1-36-179-74.1-179.2126.200111.9T418 R423 Q424 L425T418-E421 PolarHBondContact O-N 2.95Å; E421-R423 PolarHBondContact O-N 2.97Å; E421-Q424 PolarHBondContact O-N 3.23Å; E421-Q424 VanDerWaalsContact O-N 3.13Å; E421-L425 PolarHBondContact O-N 3.09Å
422E38.4Very low33.9Very low124 Ų124125.7 Ų125.758%0.57968%0.675SS**Hα-helixtrans-70.5-20.1171.9-148.9178.3159.800112.3R426E422-R426 WeakPolarHBondContact O-CG 3.26Å; E422-R426 PolarHBondContact O-N 3.37Å
423R38.3Very low34Very low185 Ų185126.2 Ų126.270%0.69868%0.678SS**Hα-helixtrans-81.8-16.5170.7-89.7-178.6176.3-156.3-0.3114.4D419 E421 K427D419-R423 WeakPolarHBondContact O-CB 3.31Å; D419-R423 WeakPolarHBondContact O-CD 3.22Å; D419-R423 VanDerWaalsContact O-CG 3.32Å; D419-R423 WeakPolarHBondContact O-CG 3.01Å; E421-R423 PolarHBondContact O-N 2.97Å; R423-K427 WeakPolarHBondContact O-CG 3.4Å
424Q41.1Very low34.2Very low155 Ų155125.3 Ų125.372%0.72468%0.677SS**Hα-helixtrans-90.5-34.3173.6-71.3-154.66.200112A420 E421 K427 G428A420-Q424 PolarHBondContact O-N 2.86Å; E421-Q424 PolarHBondContact O-N 3.23Å; E421-Q424 VanDerWaalsContact O-N 3.13Å; Q424-K427 PolarHBondContact O-N 3.2Å; Q424-G428 PolarHBondContact O-N 3.25Å
425L37.8Very low34.4Very low127 Ų127129.5 Ų129.567%0.66569%0.685SS**Hα-helixtrans-66-39.7173.5-134.872.8000111.9E421 K427 G428 E429E421-L425 PolarHBondContact O-N 3.09Å; L425-K427 PolarHBondContact O-N 3.3Å; L425-G428 PolarHBondContact O-N 2.56Å; L425-G428 VanDerWaalsContact O-N 3.16Å; L425-E429 PolarHBondContact O-N 2.92Å
426R38.6Very low34.4Very low168 Ų168126 Ų12663%0.63469%0.686SS**Hα-helixtrans-69.7-12.2173.3-73.2-175.5178.3-123.62.6115.1E422E422-R426 WeakPolarHBondContact O-CG 3.26Å; E422-R426 PolarHBondContact O-N 3.37Å
427K38.6Very low34.5Very low165 Ų165124.4 Ų124.472%0.71768%0.681SS**Hα-helixtrans-93-12.6173-77.6178.9177.3-179.30113.1R423 Q424 L425R423-K427 WeakPolarHBondContact O-CG 3.4Å; Q424-K427 PolarHBondContact O-N 3.2Å; L425-K427 PolarHBondContact O-N 3.3Å
428G36.2Very low34.4Very low42 Ų42126.9 Ų126.943%0.43369%0.689SS.*Hα-helixtrans-90.4-34.5174.100000113.7Q424 L425Q424-G428 PolarHBondContact O-N 3.25Å; L425-G428 PolarHBondContact O-N 2.56Å; L425-G428 VanDerWaalsContact O-N 3.16Å
429E34.9Very low34.1Very low139 Ų139130 Ų13065%0.6570%0.702SS**G310 helixtrans-85.8-14.6-178.9-69.5174.4120.100113.5L425L425-E429 PolarHBondContact O-N 2.92Å
430Q33.7Very low33.9Very low167 Ų167132.2 Ų132.278%0.7871%0.713SS**G310 helixtrans-91.22.5174.9-144.916315.600113.2
431A33.2Very low33.3Very low71 Ų71141.1 Ų141.159%0.58773%0.734SS**G310 helixtrans-105.93.5174.300000113.7
432Q33.1Very low32.7Very low165 Ų165146.7 Ų146.777%0.77175%0.75SS**SBendtrans-114.510.6179.8-77.7-176.9-30.400114
433C27.7Very low32.6Very low124 Ų124146.5 Ų146.584%0.83876%0.762SS**SBendtrans-129.556174.7-89.30000111
434S30.3Very low32.3Very low101 Ų101142.9 Ų142.971%0.70677%0.765SS**SBendtrans-150.324.2170.160.40000113
435Q30.1Very low31.7Very low192 Ų192140 Ų14090%0.89776%0.762SS**  trans-133.5109.7172.7-71.5-177.3-7.400107.7
436G28.5Very low31.5Very low85 Ų85141.4 Ų141.488%0.87677%0.769SS**  trans164-8-17300000114.8
437A26.3Very low31.3Very low85 Ų85139.7 Ų139.770%0.70278%0.777SS**SBendtrans-99.5145.8151.500000107.6
438D27.3Very low31.3Very low153 Ų153136.7 Ų136.782%0.81878%0.775SS**  trans89.977.8-179.4-53.8-33.8000116.6
439N28.5Very low31.2Very low162 Ų162139.4 Ų139.487%0.86679%0.787SS**  trans-163.680.4142.3-92.4-36.6000110.1
440L29.5Very low31.3Very low182 Ų182140.5 Ų140.595%0.95380%0.797SS**SBendtrans-177.965.8149.8-97.6149.8000109
441R25.8Very low31.2Very low245 Ų245135.8 Ų135.893%0.92579%0.794SS**  trans-144.194.8162.2-125.8-170.7-169.8-155.83.5107.3
442R29.6Very low31.3Very low244 Ų244140 Ų14092%0.92181%0.805SS**  trans-175.592.5157-105.7173.8-158.8-124.25.7110.6
443S34.8Very low31.3Very low120 Ų120137.9 Ų137.984%0.83980%0.804SS**  trans-162.393.3136.835.50000108.5
444S32Very low31.6Very low108 Ų108139.3 Ų139.376%0.75580%0.8SS**  trans-26.5152.7145.6-36.90000112.3
445S28.9Very low31.7Very low96 Ų96140.4 Ų140.467%0.67180%0.798SS**  cis170.6160.41139.70000105.7
446L33.7Very low31.9Very low156 Ų156136.3 Ų136.382%0.81779%0.79SS**  trans92.888.7160.4-52.5162.1000119.1
447V34.8Very low32.2Very low131 Ų131136.2 Ų136.279%0.79478%0.782SS**  42.1146.297.5179.40000117.7
448P38.8Very low32.6Very low103 Ų103140 Ų14067%0.66979%0.79SS**  cis-150.5-172.8-31.544.5-24.6000116.8
449S33.2Very low32.7Very low98 Ų98136.2 Ų136.269%0.68579%0.787SS**  trans94143.8135.6-68.90000123.8
450D37.3Very low33.1Very low163 Ų163140 Ų14087%0.87279%0.789SS**  trans81.2114.9166.1-52.4-22.3000116.1
451G32.7Very low33.3Very low68 Ų68137.5 Ų137.570%0.70178%0.781SS**  cis112.9129.347.800000105.2
452L35.1Very low34Very low159 Ų159131.4 Ų131.483%0.83277%0.773SS**  cis-174.4143.244.9-79.7166.5000108.6
453T32.9Very low34.1Very low120 Ų120125.8 Ų125.874%0.73677%0.772SS**  trans35.3153.1132.168.30000121.9
454M33.2Very low34Very low154 Ų154123.8 Ų123.876%0.75977%0.77SS**  cis-176.6170.2-5-101.1-87.2-86.400105.6
455D33.6Very low34Very low124 Ų124122.5 Ų122.566%0.66377%0.774SS**  trans98.698.3151.2-68.4-45.2000122.1
456S33.1Very low34.3Very low106 Ų106126.6 Ų126.674%0.74178%0.782SS**  76.5122.2106.3-66.90000121.6
457A34.7Very low34.6Very low84 Ų84123.9 Ų123.969%0.69477%0.774SS**  93.9120.5129.700000121.2
458N34.1Very low34.6Very low165 Ų165122.8 Ų122.888%0.88277%0.772SS**  trans73.5116.4135.7-66.1-18.7000121.5
459G31Very low34.3Very low73 Ų73125.3 Ų125.375%0.75378%0.78SS**  108.1111115.700000118.9
460R35.9Very low34.3Very low242 Ų242126.6 Ų126.691%0.91379%0.789SS**  trans63.2106.1143.7-66-178.7-178.3-1670.5119.8
461T33.8Very low34.1Very low128 Ų128122.7 Ų122.779%0.78579%0.787SS**  6.7163.9127.556.90000120.4
462P39.7Very low34Very low117 Ų117127.3 Ų127.376%0.7680%0.796SS**  cis-138.7-168.5-22.733.8-11.9000113.6
463S33.5Very low33.8Very low127 Ų127127.7 Ų127.789%0.88880%0.798SS**  trans78.3127165.5179.10000114.9
464G31.2Very low33.5Very low77 Ų77130.7 Ų130.779%0.79481%0.809SS**  cis164.3150.511.200000106.1
465G33.5Very low33.4Very low81 Ų81135.2 Ų135.284%0.83582%0.817SS**  trans143.979.8175.200000114.8
466E33.6Very low33.3Very low183 Ų183138.7 Ų138.786%0.85583%0.826SS**  trans-49.1-173.9158.3-80.3-154.1142.400115.1
467P40.2Very low33Very low98 Ų98141.9 Ų141.964%0.63683%0.834SS**  cis-135.6174.9-21.821.22000113.2
468S35.5Very low32.4Very low108 Ų108143.8 Ų143.876%0.75584%0.841SS**  166.6135.6114.350.80000115.3
469N32.3Very low32.1Very low156 Ų156141.5 Ų141.583%0.83484%0.838SS**  trans66.1106.8151.9-76.7-13.5000121.8
470S33.5Very low32Very low126 Ų126147.7 Ų147.788%0.88185%0.847SS**  161.114395.750.50000111.8
471G32.2Very low31.4Very low81 Ų81147.8 Ų147.884%0.83585%0.848SS**  trans118.451.8161.800000118.3L473G471-L473 PolarHBondContact O-N 2.82Å
472N30.8Very low31.2Very low164 Ų164148.3 Ų148.388%0.87785%0.85SS**  trans-77.2108.6168.9-84.6-42.3000112.1
473L31Very low30.5Very low167 Ų167151.4 Ų151.487%0.87486%0.855SS**  trans-173.9103.3147.5-131.882.9000108.4G471G471-L473 PolarHBondContact O-N 2.82Å
474L27.7Very low30.1Very low184 Ų184156.2 Ų156.296%0.96385%0.853SS**SBendtrans154.83.4158.9-84.7161.2000114.2
475R31.3Very low29.7Very low249 Ų249158.7 Ų158.794%0.9486%0.855SS**  trans-126.847.5177.5-152.1-178.1-169.3178.33114.2
476K30.8Very low29.3Very low197 Ų197163.5 Ų163.586%0.85785%0.853SS**  trans-119.724.5178.8-141.2-180-174.4179.80115.1
477L26.9Very low28.9Very low173 Ų173162.7 Ų162.791%0.90686%0.855SS**  trans-145.867.5172.8-69175.6000111.9
478C23.1Very low28.2Very low124 Ų124168 Ų16884%0.83887%0.868SS**SBendtrans-147.9117.6157.1-920000108.2
479S26.9Very low27.6Very low117 Ų117169 Ų16982%0.81887%0.87SS**  trans83.983.6168.8-40.50000117.4
480E28.4Very low27.4Very low203 Ų203168.9 Ų168.995%0.94987%0.868SS**  trans-154.7131.5142.9-116.8166.2-16400112.1
481R24.6Very low27.2Very low244 Ų244166.8 Ų166.892%0.92185%0.854SS**  trans-79125.3-171.4-68.3165.3174.7159.7-2.2110.6
482V27.9Very low27.3Very low138 Ų138166.6 Ų166.684%0.83683%0.833SS**  trans-143.1117.7146.5-174.60000110.3
483Q26.5Very low27.2Very low183 Ų183160.5 Ų160.586%0.85580%0.803SS**  trans3.6132.3161-66.5158.5-3.100120.6
484R24.2Very low27.3Very low228 Ų228160.7 Ų160.786%0.8680%0.799SS**  trans-55.5156.9173.6-72.4176.8172.5165.9-2.7113.4
485P23.2Very low27.5Very low128 Ų128155.4 Ų155.483%0.83177%0.77SS**  -128.2151.6108.831.7-20.2000113.8
486K24.2Very low27.6Very low182 Ų182147.1 Ų147.179%0.79175%0.748SS**  trans-64.5122.6-176.7-58.7159.5-179.6172.80109.6
487N26.5Very low27.7Very low167 Ų167139.1 Ų139.189%0.89372%0.719SS**  trans-160.7108.7151.8-87.2-25.9000110T489N487-T489 PolarHBondContact O-N 2.91Å
488K24.5Very low28Very low208 Ų208138.4 Ų138.490%0.90471%0.711SS**  trans-75107.2173.7-69.8169.4175175.70108.6
489T23.9Very low28.7Very low130 Ų130137.6 Ų137.680%0.79869%0.693SS**  trans-176.7143.4155.9-57.70000106.8N487N487-T489 PolarHBondContact O-N 2.91Å
490L27.4Very low28.9Very low153 Ų153134.4 Ų134.480%0.80167%0.667SS**  trans94.977.7174.8-54.7158.5000116.7
491S29.9Very low29Very low83 Ų83127.9 Ų127.958%0.5864%0.64SS**  trans-139.69165.5-179.40000113
492L33Very low29.5Very low76 Ų76118.3 Ų118.340%0.39861%0.609SS.*SBendtrans-88.6-21.6-167.4-134.776.5000114.6K219K219-L492 HydrophobicContact CD-CD1 3.87Å; K219-L492 HydrophobicContact CD-CD2 3.93Å; K219-L492 HydrophobicContact CD-CG 4.18Å; K219-L492 VanDerWaalsContact NZ-CD1 3.28Å
493C29.4Very low29.5Very low36 Ų36115 Ų11524%0.24359%0.586CS.*SBendtrans-103.13.7-168.2-55.10000115E263E263-C493 HydrophobicContact CB-CB 3.41Å; E263-C493 VanDerWaalsContact CB-CB 3.41Å; E263-C493 HydrophobicContact CG-CB 3.74Å
494Q32.7Very low29.8Very low172 Ų172112 Ų11280%0.80457%0.567SS**  trans-104.8-0.4-177.4-83.8175.6-37.300114
495E33Very low30Very low73 Ų73106.6 Ų106.634%0.34156%0.555SS.*  trans-80.6126.7-176.7-63.2-68.6156.700110.7K499E495-K499 IonicContact OE1-NZ 3.18Å; E495-K499 WeakPolarHBondContact OE2-CD 3.27Å; E495-K499 WeakPolarHBondContact OE2-CE 3.36Å; E495-K499 IonicContact OE2-NZ 3.08Å; E495-K499 PolarHBondContact OE2-NZ 2.97Å
496P32.5Very low30.3Very low75 Ų75101.4 Ų101.449%0.48752%0.522SS..  trans-65154.2178.125.4-31.5000111.6E498 K499P496-E498 PolarHBondContact O-N 3.14Å; P496-K499 PolarHBondContact O-N 2.9Å
497A32.8Very low30.5Very low29 Ų2999.5 Ų99.524%0.2452%0.52CS..G310 helixtrans-49.6-27.8-177.300000114.8P307 K499 L500P307-A497 HydrophobicContact CG-CB 3.86Å; A497-K499 PolarHBondContact O-N 3Å; A497-K499 VanDerWaalsContact O-N 3.11Å; A497-L500 WeakPolarHBondContact O-CB 3.25Å; A497-L500 PolarHBondContact O-N 3.28Å
498E32.6Very low30.5Very low157 Ų15794.4 Ų94.473%0.73451%0.507SS*.G310 helixtrans-61.5-18.2180-62.8170.2-179.500113.2P496 T501P496-E498 PolarHBondContact O-N 3.14Å; E498-T501 PolarHBondContact O-OG1 3.4Å
499K37.8Very low30.7Very low108 Ų10892.6 Ų92.647%0.4750%0.502SS..G310 helixtrans-94.9-7.3172-84.9177.4-175.7172.90114.7E495 P496 A497 T501 T502 L503E495-K499 IonicContact OE1-NZ 3.18Å; E495-K499 WeakPolarHBondContact OE2-CD 3.27Å; E495-K499 WeakPolarHBondContact OE2-CE 3.36Å; E495-K499 IonicContact OE2-NZ 3.08Å; E495-K499 PolarHBondContact OE2-NZ 2.97Å; P496-K499 PolarHBondContact O-N 2.9Å; A497-K499 PolarHBondContact O-N 3Å; A497-K499 VanDerWaalsContact O-N 3.11Å; K499-T501 VanDerWaalsContact C-N 3.3Å; K499-T501 PolarHBondContact O-N 3.09Å; K499-T502 VanDerWaalsContact C-OG1 3.3Å; K499-T502 VanDerWaalsContact CA-OG1 3.27Å; K499-T502 WeakPolarHBondContact CA-OG1 3.24Å; K499-T502 CarbonylContact O-C 3.5Å; K499-T502 PolarHBondContact O-N 2.94Å; K499-T502 VanDerWaalsContact O-N 3.14Å; K499-T502 PolarHBondContact O-OG1 3.49Å; K499-L503 PolarHBondContact O-N 3.07Å
500L31.6Very low31Very low50 Ų5089.6 Ų89.626%0.26249%0.486SS..THydrogen-bonded Turntrans-70.4-27.6178.6-9494.1000112.5Y267 A497 T502 L503Y267-L500 HydrophobicContact CE1-CD2 4.18Å; Y267-L500 HydrophobicContact CE2-CD1 4.23Å; Y267-L500 HydrophobicContact CE2-CD2 4.04Å; Y267-L500 VanDerWaalsContact CZ-CD2 3.49Å; Y267-L500 WeakPolarHBondContact OH-CD2 3.01Å; Y267-L500 VanDerWaalsContact OH-CG 3.24Å; Y267-L500 WeakPolarHBondContact OH-CG 2.98Å; A497-L500 WeakPolarHBondContact O-CB 3.25Å; A497-L500 PolarHBondContact O-N 3.28Å; L500-T502 VanDerWaalsContact C-N 3.27Å; L500-T502 PolarHBondContact O-N 3.28Å; L500-L503 PolarHBondContact O-N 2.85Å
501T31.6Very low31.4Very low65 Ų6587.8 Ų87.840%0.39948%0.484SS..THydrogen-bonded Turntrans-69.3-24.9170.7160000112.6E498 K499E498-T501 PolarHBondContact O-OG1 3.4Å; K499-T501 VanDerWaalsContact C-N 3.3Å; K499-T501 PolarHBondContact O-N 3.09Å
502T33.4Very low31.6Very low44 Ų4492 Ų9227%0.2749%0.494SS..THydrogen-bonded Turntrans-92.6-4.117551.50000114.8K499 L500 R504 D517K499-T502 VanDerWaalsContact C-OG1 3.3Å; K499-T502 VanDerWaalsContact CA-OG1 3.27Å; K499-T502 WeakPolarHBondContact CA-OG1 3.24Å; K499-T502 CarbonylContact O-C 3.5Å; K499-T502 PolarHBondContact O-N 2.94Å; K499-T502 VanDerWaalsContact O-N 3.14Å; K499-T502 PolarHBondContact O-OG1 3.49Å; L500-T502 VanDerWaalsContact C-N 3.27Å; L500-T502 PolarHBondContact O-N 3.28Å; T502-R504 PolarHBondContact O-N 3.26Å; T502-D517 HydrophobicContact CG2-CB 3.72Å
503L29.3Very low31.8Very low67 Ų6793 Ų9335%0.35150%0.5SS..SBendtrans-78.972.3174.5-80.6170000111.8K499 L500K499-L503 PolarHBondContact O-N 3.07Å; L500-L503 PolarHBondContact O-N 2.85Å
504R32.4Very low32.6Very low121 Ų12196.1 Ų96.146%0.45751%0.506SS..  trans82.170.2133.5-61.3-171168172.2-1.6118.2T502 S506T502-R504 PolarHBondContact O-N 3.26Å; R504-S506 WeakPolarHBondContact CB-OG 3.47Å; R504-S506 WeakPolarHBondContact CD-OG 3.47Å; R504-S506 WeakPolarHBondContact CG-OG 3.2Å; R504-S506 PolarHBondContact O-N 2.99Å
505L29.1Very low33.6Very low115 Ų11588.9 Ų88.960%0.60247%0.472SS*.  -6987.2114.6-66.5150.1000107.3R514 N622L505-R514 PolarHBondContact O-NH2 3.19Å; L505-N622 WeakPolarHBondContact CD1-ND2 3.41Å; L505-N622 WeakPolarHBondContact CD1-OD1 2.84Å; L505-N622 WeakPolarHBondContact CD2-OD1 3.4Å
506S28.8Very low34.3Very low19 Ų1987.6 Ų87.613%0.13347%0.47CS..  trans-138.392.7174.672.70000110R504R504-S506 WeakPolarHBondContact CB-OG 3.47Å; R504-S506 WeakPolarHBondContact CD-OG 3.47Å; R504-S506 WeakPolarHBondContact CG-OG 3.2Å; R504-S506 PolarHBondContact O-N 2.99Å
507N27.6Very low35.2Very low141 Ų14189 Ų8975%0.75447%0.473SS*.  trans-50.1137.9149.4-81.42.4000108.4E509N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact O-N 3.48Å
508G27Very low36.7Very low61 Ų6191.3 Ų91.363%0.62948%0.482SS*.SBendtrans-75.961.2-164.400000116
509E29.2Very low38.5Very low170 Ų17084.7 Ų84.779%0.79445%0.45SS*.  trans-119.2155.2174.6-70.9171155.400110.8N507N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact O-N 3.48Å
510S30.2Very low39.9Very low66 Ų6683.7 Ų83.746%0.46245%0.447SS..  trans-54.6149.4-159.932.10000115.7H512S510-H512 PolarHBondContact O-N 3.08Å
511P35.5Very low41.6Very low116 Ų11685.7 Ų85.775%0.75346%0.457SS*.THydrogen-bonded Turntrans-64-0.7-177.9-19.431.9000116.5
512H34.5Very low43.7Very low172 Ų17282.7 Ų82.780%0.79644%0.438SS*.THydrogen-bonded Turntrans-99.7-8.3-170.7-76.5-71.4000115.2S510S510-H512 PolarHBondContact O-N 3.08Å
513D37.6Very low45.5Very low97 Ų9780.9 Ų80.952%0.51943%0.426SS..SBendtrans-109.86.3-175.1-64.2-46.8000114.7L630D513-L630 WeakPolarHBondContact O-CD2 3.34Å
514R44.8Very low47.4Very low100 Ų10082.3 Ų82.338%0.37743%0.431SS..SBendtrans-77.7139.4-179.6-75-179.9171.8-140.3-20.3111.6L505L505-R514 PolarHBondContact O-NH2 3.19Å
515W54.7Low49.4Very low20 Ų2078.8 Ų78.88%0.07642%0.422CS..PPolyproline II helixtrans-57.4133.5158.8-67.810.8000106.7D517 L522 R528 V531 F620 Y626 S629W515-D517 PolarHBondContact O-N 2.94Å; W515-L522 HydrophobicContact CE3-CD1 3.84Å; W515-L522 HydrophobicContact CE3-CG 4.17Å; W515-L522 HydrophobicContact CZ3-CD1 3.63Å; W515-L522 HydrophobicContact CZ3-CG 3.95Å; W515-R528 HydrophobicContact CD2-CB 4.41Å; W515-R528 VanDerWaalsContact CD2-CD 3.42Å; W515-R528 HydrophobicContact CD2-CG 3.85Å; W515-R528 HydrophobicContact CE3-CB 3.98Å; W515-R528 HydrophobicContact CE3-CG 3.93Å; W515-R528 VanDerWaalsContact CH2-CA 3.48Å; W515-R528 HydrophobicContact CH2-CB 3.49Å; W515-R528 VanDerWaalsContact CH2-CB 3.49Å; W515-R528 HydrophobicContact CH2-CG 3.64Å; W515-R528 HydrophobicContact CZ2-CB 3.95Å; W515-R528 HydrophobicContact CZ2-CG 3.53Å; W515-R528 HydrophobicContact CZ3-CB 3.48Å; W515-R528 VanDerWaalsContact CZ3-CB 3.48Å; W515-R528 HydrophobicContact CZ3-CG 3.82Å; W515-V531 HydrophobicContact CH2-CB 4.24Å; W515-V531 HydrophobicContact CH2-CG2 4.41Å; W515-F620 HydrophobicContact CE3-CE1 4.1Å; W515-F620 HydrophobicContact CE3-CZ 4.46Å; W515-F620 HydrophobicContact CH2-CE1 4.2Å; W515-F620 AromaticContact CH2-CZ 3.75Å; W515-F620 HydrophobicContact CH2-CZ 3.75Å; W515-F620 AromaticContact CZ3-CE1 3.45Å; W515-F620 HydrophobicContact CZ3-CE1 3.45Å; W515-F620 VanDerWaalsContact CZ3-CE1 3.45Å; W515-F620 AromaticContact CZ3-CZ 3.47Å; W515-F620 HydrophobicContact CZ3-CZ 3.47Å; W515-F620 VanDerWaalsContact CZ3-CZ 3.47Å; W515-Y626 HydrophobicContact CB-CE2 4.31Å; W515-Y626 HydrophobicContact CD2-CD2 4.33Å; W515-Y626 AromaticContact CD2-CE2 3.67Å; W515-Y626 HydrophobicContact CD2-CE2 3.67Å; W515-Y626 HydrophobicContact CE3-CD2 4.09Å; W515-Y626 AromaticContact CE3-CE2 3.68Å; W515-Y626 HydrophobicContact CE3-CE2 3.68Å; W515-Y626 AromaticContact CG-CE2 3.99Å; W515-Y626 HydrophobicContact CG-CE2 3.99Å; W515-Y626 HydrophobicContact CH2-CD2 4.41Å; W515-Y626 HydrophobicContact CZ3-CD2 4.14Å; W515-Y626 HydrophobicContact CZ3-CE2 4.22Å; W515-S629 WeakPolarHBondContact CZ2-OG 3.38Å
516P46.6Very low51.5Low46 Ų4675.5 Ų75.530%0.29941%0.407SS..PPolyproline II helixtrans-48.8136.1176-23.334.4000108D518 M521P516-D518 PolarHBondContact O-N 3.4Å; P516-M521 HydrophobicContact CB-CB 4.38Å; P516-M521 HydrophobicContact CB-CE 4.2Å; P516-M521 HydrophobicContact CB-CG 4.45Å; P516-M521 HydrophobicContact CB-SD 3.38Å; P516-M521 WeakPolarHBondContact CB-SD 3.25Å; P516-M521 HydrophobicContact CG-CB 4.48Å; P516-M521 HydrophobicContact CG-CE 3.65Å; P516-M521 HydrophobicContact CG-SD 3.53Å; P516-M521 VanDerWaalsContact CG-SD 3.53Å
517D53.1Low53.7Low105 Ų10581.9 Ų81.956%0.56144%0.435SS*.SBendtrans-58.61.8-176.5-64.6-55.3000113.6T502 W515T502-D517 HydrophobicContact CG2-CB 3.72Å; W515-D517 PolarHBondContact O-N 2.94Å
518D63.3Low56.2Low78 Ų7877.4 Ų77.442%0.41741%0.407SS..  trans-90.3111-179-166.7-2.9000111.7P516 E520 M521 L522P516-D518 PolarHBondContact O-N 3.4Å; D518-E520 PolarHBondContact O-N 2.98Å; D518-E520 WeakPolarHBondContact OD1-CB 3.44Å; D518-E520 PolarHBondContact OD1-N 2.89Å; D518-M521 HydrophobicContact CB-CB 4.24Å; D518-M521 HydrophobicContact CB-CG 3.94Å; D518-M521 HydrophobicContact CB-SD 4.37Å; D518-M521 WeakPolarHBondContact O-CB 3.26Å; D518-M521 PolarHBondContact O-N 3.45Å; D518-L522 PolarHBondContact O-N 2.83Å
519F69.8Low58.8Low17 Ų1774.8 Ų74.88%0.07538%0.379CS..Hα-helixtrans-52.7-36.3173.1179.6-125.2000112M521 L522 L523 F532 L612 F614 Y617F519-M521 VanDerWaalsContact C-N 3.31Å; F519-M521 PolarHBondContact O-N 2.87Å; F519-L522 WeakPolarHBondContact O-CB 3.11Å; F519-L522 PolarHBondContact O-N 2.86Å; F519-L522 VanDerWaalsContact O-N 3.16Å; F519-L523 HydrophobicContact CD1-CD1 3.88Å; F519-L523 HydrophobicContact CD1-CG 4.49Å; F519-L523 HydrophobicContact CD2-CG 4.36Å; F519-L523 HydrophobicContact CE1-CD1 3.46Å; F519-L523 VanDerWaalsContact CE1-CD1 3.46Å; F519-L523 HydrophobicContact CE1-CG 4.19Å; F519-L523 HydrophobicContact CE2-CD1 4.2Å; F519-L523 HydrophobicContact CE2-CD2 3.99Å; F519-L523 HydrophobicContact CE2-CG 4.03Å; F519-L523 HydrophobicContact CG-CD1 4.43Å; F519-L523 HydrophobicContact CZ-CD1 3.63Å; F519-L523 HydrophobicContact CZ-CD2 3.89Å; F519-L523 HydrophobicContact CZ-CG 3.94Å; F519-L523 WeakPolarHBondContact O-CG 3.24Å; F519-L523 PolarHBondContact O-N 3.47Å; F519-F532 AromaticContact CE2-CE1 3.89Å; F519-F532 HydrophobicContact CE2-CE1 3.89Å; F519-F532 HydrophobicContact CE2-CZ 4.1Å; F519-F532 HydrophobicContact CZ-CE1 4.3Å; F519-L612 HydrophobicContact CE1-CB 4.41Å; F519-L612 HydrophobicContact CE1-CD2 4.42Å; F519-L612 HydrophobicContact CZ-CB 4.46Å; F519-L612 HydrophobicContact CZ-CD2 3.7Å; F519-F614 HydrophobicContact CB-CE2 4.42Å; F519-F614 HydrophobicContact CB-CZ 4.48Å; F519-F614 HydrophobicContact CD1-CE2 4.16Å; F519-F614 HydrophobicContact CG-CE2 4.47Å; F519-Y617 HydrophobicContact CB-CD1 3.94Å; F519-Y617 HydrophobicContact CB-CE1 3.65Å; F519-Y617 AromaticContact CD2-CD1 3.59Å; F519-Y617 HydrophobicContact CD2-CD1 3.59Å; F519-Y617 AromaticContact CD2-CD2 3.37Å; F519-Y617 HydrophobicContact CD2-CD2 3.37Å; F519-Y617 AromaticContact CD2-CE1 3.9Å; F519-Y617 HydrophobicContact CD2-CE1 3.9Å; F519-Y617 AromaticContact CD2-CE2 3.72Å; F519-Y617 HydrophobicContact CD2-CE2 3.72Å; F519-Y617 AromaticContact CD2-CG 3.29Å; F519-Y617 HydrophobicContact CD2-CG 3.29Å; F519-Y617 AromaticContact CD2-CZ 3.95Å; F519-Y617 HydrophobicContact CE2-CD1 4.34Å; F519-Y617 AromaticContact CE2-CD2 3.76Å; F519-Y617 HydrophobicContact CE2-CD2 3.76Å; F519-Y617 HydrophobicContact CE2-CE2 4.48Å; F519-Y617 AromaticContact CE2-CG 3.67Å; F519-Y617 HydrophobicContact CE2-CG 3.67Å; F519-Y617 AromaticContact CG-CD1 3.95Å; F519-Y617 HydrophobicContact CG-CD1 3.95Å; F519-Y617 HydrophobicContact CG-CD2 4.46Å; F519-Y617 HydrophobicContact CG-CE1 4.13Å; F519-Y617 HydrophobicContact CG-CG 4.11Å
520E67.7Low61.1Low88 Ų8868.5 Ų68.541%0.41135%0.354SS..Hα-helixtrans-61.2-41.3176.3-69.5-67.5161.200110.8D518 L522 L523 H524D518-E520 PolarHBondContact O-N 2.98Å; D518-E520 WeakPolarHBondContact OD1-CB 3.44Å; D518-E520 PolarHBondContact OD1-N 2.89Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.15Å; E520-L523 PolarHBondContact O-N 2.92Å; E520-L523 VanDerWaalsContact O-N 3.15Å; E520-H524 PolarHBondContact O-N 3.05Å; E520-H524 PolarHBondContact O-ND1 3.23Å; E520-H524 IonicContact OE2-CE1 2.7Å; E520-H524 PolarHBondContact OE2-CE1 2.7Å; E520-H524 VanDerWaalsContact OE2-CE1 3.28Å; E520-H524 IonicContact OE2-ND1 2.69Å
521M66.6Low63.7Low92 Ų9266.7 Ų66.745%0.45334%0.34SS..Hα-helixtrans-67-28.6178.2-68.8-168.774.700113.2P516 D518 F519 N525P516-M521 HydrophobicContact CB-CB 4.38Å; P516-M521 HydrophobicContact CB-CE 4.2Å; P516-M521 HydrophobicContact CB-CG 4.45Å; P516-M521 HydrophobicContact CB-SD 3.38Å; P516-M521 WeakPolarHBondContact CB-SD 3.25Å; P516-M521 HydrophobicContact CG-CB 4.48Å; P516-M521 HydrophobicContact CG-CE 3.65Å; P516-M521 HydrophobicContact CG-SD 3.53Å; P516-M521 VanDerWaalsContact CG-SD 3.53Å; D518-M521 HydrophobicContact CB-CB 4.24Å; D518-M521 HydrophobicContact CB-CG 3.94Å; D518-M521 HydrophobicContact CB-SD 4.37Å; D518-M521 WeakPolarHBondContact O-CB 3.26Å; D518-M521 PolarHBondContact O-N 3.45Å; F519-M521 VanDerWaalsContact C-N 3.31Å; F519-M521 PolarHBondContact O-N 2.87Å; M521-N525 WeakPolarHBondContact O-CB 3.23Å; M521-N525 PolarHBondContact O-N 2.71Å
522L75.6Confident66Low2 Ų261.1 Ų61.11%0.0130%0.304CS..Hα-helixtrans-66.3-50.3170.1177.1162.4000110.1W515 D518 F519 E520 H524 N525 R528 F532 Y617 F620W515-L522 HydrophobicContact CE3-CD1 3.84Å; W515-L522 HydrophobicContact CE3-CG 4.17Å; W515-L522 HydrophobicContact CZ3-CD1 3.63Å; W515-L522 HydrophobicContact CZ3-CG 3.95Å; D518-L522 PolarHBondContact O-N 2.83Å; F519-L522 WeakPolarHBondContact O-CB 3.11Å; F519-L522 PolarHBondContact O-N 2.86Å; F519-L522 VanDerWaalsContact O-N 3.16Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.15Å; L522-H524 PolarHBondContact O-N 3.43Å; L522-N525 PolarHBondContact O-N 2.98Å; L522-N525 VanDerWaalsContact O-N 3.13Å; L522-R528 HydrophobicContact CG-CB 4.19Å; L522-F532 HydrophobicContact CD1-CB 4.39Å; L522-F532 HydrophobicContact CD1-CG 4.47Å; L522-F532 HydrophobicContact CD2-CB 3.83Å; L522-F532 HydrophobicContact CD2-CD1 3.74Å; L522-F532 HydrophobicContact CD2-CG 3.94Å; L522-Y617 HydrophobicContact CD1-CD2 4.01Å; L522-Y617 HydrophobicContact CD1-CE2 3.53Å; L522-F620 HydrophobicContact CD1-CD1 3.83Å; L522-F620 HydrophobicContact CD1-CE1 3.43Å; L522-F620 VanDerWaalsContact CD1-CE1 3.43Å; L522-F620 HydrophobicContact CD1-CZ 4.35Å
523L72.6Confident68.2Low5 Ų553 Ų533%0.02627%0.266CS..Hα-helixtrans-63.3-29.5-176.6-66178.8000112.9F519 E520 L529 F532 I545 W548F519-L523 HydrophobicContact CD1-CD1 3.88Å; F519-L523 HydrophobicContact CD1-CG 4.49Å; F519-L523 HydrophobicContact CD2-CG 4.36Å; F519-L523 HydrophobicContact CE1-CD1 3.46Å; F519-L523 VanDerWaalsContact CE1-CD1 3.46Å; F519-L523 HydrophobicContact CE1-CG 4.19Å; F519-L523 HydrophobicContact CE2-CD1 4.2Å; F519-L523 HydrophobicContact CE2-CD2 3.99Å; F519-L523 HydrophobicContact CE2-CG 4.03Å; F519-L523 HydrophobicContact CG-CD1 4.43Å; F519-L523 HydrophobicContact CZ-CD1 3.63Å; F519-L523 HydrophobicContact CZ-CD2 3.89Å; F519-L523 HydrophobicContact CZ-CG 3.94Å; F519-L523 WeakPolarHBondContact O-CG 3.24Å; F519-L523 PolarHBondContact O-N 3.47Å; E520-L523 PolarHBondContact O-N 2.92Å; E520-L523 VanDerWaalsContact O-N 3.15Å; L523-L529 HydrophobicContact CD2-CD1 4.06Å; L523-F532 HydrophobicContact CD2-CD1 4.37Å; L523-F532 HydrophobicContact CD2-CE1 4.35Å; L523-I545 HydrophobicContact CD2-CD1 3.59Å; L523-W548 HydrophobicContact CB-CH2 3.7Å; L523-W548 HydrophobicContact CB-CZ2 3.86Å; L523-W548 HydrophobicContact CB-CZ3 4.19Å; L523-W548 HydrophobicContact CD1-CD2 4.16Å; L523-W548 HydrophobicContact CD1-CH2 4.29Å; L523-W548 HydrophobicContact CD1-CZ2 3.68Å; L523-W548 HydrophobicContact CG-CZ2 4.35Å
524H68.7Low70.4Confident98 Ų9853.2 Ų53.245%0.45426%0.263SS..THydrogen-bonded Turntrans-85-11.6178.2-71.384.2000114.3E520 L522E520-H524 PolarHBondContact O-N 3.05Å; E520-H524 PolarHBondContact O-ND1 3.23Å; E520-H524 IonicContact OE2-CE1 2.7Å; E520-H524 PolarHBondContact OE2-CE1 2.7Å; E520-H524 VanDerWaalsContact OE2-CE1 3.28Å; E520-H524 IonicContact OE2-ND1 2.69Å; L522-H524 PolarHBondContact O-N 3.43Å
525N73.9Confident72.4Confident47 Ų4748.8 Ų48.825%0.25125%0.246SC..  trans-100.6116.6178.9-176.8-41.4000110.7M521 L522 E527 R528 L529M521-N525 WeakPolarHBondContact O-CB 3.23Å; M521-N525 PolarHBondContact O-N 2.71Å; L522-N525 PolarHBondContact O-N 2.98Å; L522-N525 VanDerWaalsContact O-N 3.13Å; N525-E527 PolarHBondContact O-N 3.39Å; N525-E527 PolarHBondContact OD1-N 2.97Å; N525-R528 HydrophobicContact CB-CB 4Å; N525-R528 HydrophobicContact CB-CG 3.89Å; N525-R528 PolarHBondContact O-N 3.05Å; N525-R528 PolarHBondContact OD1-N 3.15Å; N525-L529 VanDerWaalsContact O-CB 3.26Å; N525-L529 WeakPolarHBondContact O-CB 3.31Å; N525-L529 PolarHBondContact O-N 3.06Å
526P74.6Confident73.9Confident45 Ų4547.9 Ų47.929%0.29224%0.242SC..Hα-helixtrans-58.3-42.7-17614.7-24.6000114.1R528 L529 S530 L658 F662P526-R528 VanDerWaalsContact C-N 3.32Å; P526-R528 PolarHBondContact O-N 3.23Å; P526-L529 PolarHBondContact O-N 3.05Å; P526-S530 WeakPolarHBondContact O-CB 3.38Å; P526-S530 PolarHBondContact O-N 2.97Å; P526-L658 HydrophobicContact CB-CD1 3.85Å; P526-L658 HydrophobicContact CB-CD2 3.47Å; P526-L658 VanDerWaalsContact CB-CD2 3.47Å; P526-L658 HydrophobicContact CB-CG 4.3Å; P526-L658 HydrophobicContact CG-CD2 3.66Å; P526-F662 HydrophobicContact CB-CD2 4.07Å; P526-F662 HydrophobicContact CB-CE2 3.7Å; P526-F662 HydrophobicContact CB-CZ 4.06Å; P526-F662 WeakPolarHBondContact O-CE2 3.32Å; P526-F662 WeakPolarHBondContact O-CZ 3.42Å
527E75.2Confident75.6Confident153 Ų15349.8 Ų49.872%0.71524%0.244SC*.Hα-helixtrans-64-45.9-177.2-64.8180175.300109.6N525 S530 V531N525-E527 PolarHBondContact O-N 3.39Å; N525-E527 PolarHBondContact OD1-N 2.97Å; E527-S530 WeakPolarHBondContact O-CB 3.14Å; E527-S530 PolarHBondContact O-N 3.39Å; E527-V531 WeakPolarHBondContact O-CG2 3.37Å; E527-V531 PolarHBondContact O-N 2.95Å
528R79.8Confident77.1Confident48 Ų4850.7 Ų50.718%0.18124%0.243CC..Hα-helixtrans-65.3-43.9178.6-60.1-171.9173.3164.3-2.5112.4W515 L522 N525 P526 S530 V531 F532W515-R528 HydrophobicContact CD2-CB 4.41Å; W515-R528 VanDerWaalsContact CD2-CD 3.42Å; W515-R528 HydrophobicContact CD2-CG 3.85Å; W515-R528 HydrophobicContact CE3-CB 3.98Å; W515-R528 HydrophobicContact CE3-CG 3.93Å; W515-R528 VanDerWaalsContact CH2-CA 3.48Å; W515-R528 HydrophobicContact CH2-CB 3.49Å; W515-R528 VanDerWaalsContact CH2-CB 3.49Å; W515-R528 HydrophobicContact CH2-CG 3.64Å; W515-R528 HydrophobicContact CZ2-CB 3.95Å; W515-R528 HydrophobicContact CZ2-CG 3.53Å; W515-R528 HydrophobicContact CZ3-CB 3.48Å; W515-R528 VanDerWaalsContact CZ3-CB 3.48Å; W515-R528 HydrophobicContact CZ3-CG 3.82Å; L522-R528 HydrophobicContact CG-CB 4.19Å; N525-R528 HydrophobicContact CB-CB 4Å; N525-R528 HydrophobicContact CB-CG 3.89Å; N525-R528 PolarHBondContact O-N 3.05Å; N525-R528 PolarHBondContact OD1-N 3.15Å; P526-R528 VanDerWaalsContact C-N 3.32Å; P526-R528 PolarHBondContact O-N 3.23Å; R528-S530 VanDerWaalsContact C-N 3.26Å; R528-S530 PolarHBondContact O-N 3.33Å; R528-V531 PolarHBondContact O-N 2.65Å; R528-F532 PolarHBondContact O-N 3.11Å
529L80.2Confident78Confident5 Ų550.2 Ų50.23%0.02624%0.238CC..Hα-helixtrans-60.5-36.7176-177.664.3000111.5L523 N525 P526 F532 A533 I545 M549 L658 F662L523-L529 HydrophobicContact CD2-CD1 4.06Å; N525-L529 VanDerWaalsContact O-CB 3.26Å; N525-L529 WeakPolarHBondContact O-CB 3.31Å; N525-L529 PolarHBondContact O-N 3.06Å; P526-L529 PolarHBondContact O-N 3.05Å; L529-F532 PolarHBondContact O-N 3.5Å; L529-A533 VanDerWaalsContact O-CB 3.26Å; L529-A533 WeakPolarHBondContact O-CB 3.41Å; L529-A533 PolarHBondContact O-N 3.05Å; L529-I545 HydrophobicContact CD1-CD1 3.69Å; L529-I545 HydrophobicContact CD1-CG1 3.81Å; L529-M549 HydrophobicContact CD2-SD 4.04Å; L529-L658 HydrophobicContact CD2-CD1 3.85Å; L529-F662 HydrophobicContact CD2-CE1 4.46Å
530S78.2Confident78.5Confident39 Ų3959.1 Ų59.127%0.27327%0.272SS..Hα-helixtrans-62.8-42.1175.8-166.30000111.9P526 E527 R528 K534P526-S530 WeakPolarHBondContact O-CB 3.38Å; P526-S530 PolarHBondContact O-N 2.97Å; E527-S530 WeakPolarHBondContact O-CB 3.14Å; E527-S530 PolarHBondContact O-N 3.39Å; R528-S530 VanDerWaalsContact C-N 3.26Å; R528-S530 PolarHBondContact O-N 3.33Å; S530-K534 WeakPolarHBondContact O-CB 3.48Å; S530-K534 PolarHBondContact O-N 2.64Å
531V84.5Confident79.3Confident27 Ų2755.4 Ų55.416%0.16426%0.256CS..Hα-helixtrans-66.2-44176.2-169.10000110.6W515 E527 R528 K534 F535 F620 E625W515-V531 HydrophobicContact CH2-CB 4.24Å; W515-V531 HydrophobicContact CH2-CG2 4.41Å; E527-V531 WeakPolarHBondContact O-CG2 3.37Å; E527-V531 PolarHBondContact O-N 2.95Å; R528-V531 PolarHBondContact O-N 2.65Å; V531-K534 WeakPolarHBondContact O-CB 3.34Å; V531-K534 PolarHBondContact O-N 3.24Å; V531-F535 PolarHBondContact O-N 3.27Å; V531-F620 HydrophobicContact CB-CE2 4.38Å; V531-F620 HydrophobicContact CB-CZ 4.4Å; V531-F620 HydrophobicContact CG1-CE2 3.87Å; V531-F620 HydrophobicContact CG1-CZ 4.17Å; V531-E625 HydrophobicContact CG1-CB 3.92Å; V531-E625 WeakPolarHBondContact CG1-O 3.24Å
532F83.4Confident80.1Confident0 Ų053.5 Ų53.50%025%0.246CC..Hα-helixtrans-64.7-42.5177.8-175.5-130.7000112.4F519 L522 L523 R528 L529 K534 F535 L536 I545 L612 C616 F620F519-F532 AromaticContact CE2-CE1 3.89Å; F519-F532 HydrophobicContact CE2-CE1 3.89Å; F519-F532 HydrophobicContact CE2-CZ 4.1Å; F519-F532 HydrophobicContact CZ-CE1 4.3Å; L522-F532 HydrophobicContact CD1-CB 4.39Å; L522-F532 HydrophobicContact CD1-CG 4.47Å; L522-F532 HydrophobicContact CD2-CB 3.83Å; L522-F532 HydrophobicContact CD2-CD1 3.74Å; L522-F532 HydrophobicContact CD2-CG 3.94Å; L523-F532 HydrophobicContact CD2-CD1 4.37Å; L523-F532 HydrophobicContact CD2-CE1 4.35Å; R528-F532 PolarHBondContact O-N 3.11Å; L529-F532 PolarHBondContact O-N 3.5Å; F532-K534 VanDerWaalsContact C-N 3.31Å; F532-K534 PolarHBondContact O-N 2.9Å; F532-F535 HydrophobicContact CD2-CD1 4.03Å; F532-F535 HydrophobicContact CE2-CD1 4.04Å; F532-F535 HydrophobicContact CE2-CE1 4.39Å; F532-F535 WeakPolarHBondContact O-CB 3.47Å; F532-F535 PolarHBondContact O-N 3.47Å; F532-F535 VanDerWaalsContact O-N 3.13Å; F532-L536 HydrophobicContact CD1-CD1 4.02Å; F532-L536 HydrophobicContact CD2-CG 4.32Å; F532-L536 HydrophobicContact CE1-CD1 3.72Å; F532-L536 HydrophobicContact CE1-CG 4.36Å; F532-L536 HydrophobicContact CE2-CD1 4.3Å; F532-L536 HydrophobicContact CE2-CD2 4.02Å; F532-L536 HydrophobicContact CE2-CG 4.06Å; F532-L536 HydrophobicContact CG-CD1 4.45Å; F532-L536 HydrophobicContact CZ-CD1 3.87Å; F532-L536 HydrophobicContact CZ-CD2 3.98Å; F532-L536 HydrophobicContact CZ-CG 4.09Å; F532-L536 WeakPolarHBondContact O-CG 3.43Å; F532-L536 PolarHBondContact O-N 3.1Å; F532-I545 HydrophobicContact CD1-CD1 4.29Å; F532-I545 HydrophobicContact CE1-CD1 4.26Å; F532-L612 HydrophobicContact CE1-CD2 4.26Å; F532-C616 HydrophobicContact CZ-CB 4.42Å; F532-F620 HydrophobicContact CB-CD2 4.48Å; F532-F620 HydrophobicContact CB-CE2 4.3Å; F532-F620 HydrophobicContact CB-CZ 4.31Å; F532-F620 HydrophobicContact CD2-CB 3.6Å; F532-F620 AromaticContact CD2-CD1 3.8Å; F532-F620 HydrophobicContact CD2-CD1 3.8Å; F532-F620 AromaticContact CD2-CD2 3.75Å; F532-F620 HydrophobicContact CD2-CD2 3.75Å; F532-F620 HydrophobicContact CD2-CE1 4.44Å; F532-F620 HydrophobicContact CD2-CE2 4.37Å; F532-F620 AromaticContact CD2-CG 3.4Å; F532-F620 HydrophobicContact CD2-CG 3.4Å; F532-F620 VanDerWaalsContact CD2-CG 3.4Å; F532-F620 HydrophobicContact CE2-CB 3.6Å; F532-F620 HydrophobicContact CE2-CD1 4.38Å; F532-F620 AromaticContact CE2-CG 3.95Å; F532-F620 HydrophobicContact CE2-CG 3.95Å; F532-F620 HydrophobicContact CG-CG 4.42Å
533A81.5Confident80.5Confident1 Ų155.3 Ų55.31%0.00826%0.255CS..Hα-helixtrans-61.6-39174.600000112.1L529 F535 L536 R537 I545 T666 F667L529-A533 VanDerWaalsContact O-CB 3.26Å; L529-A533 WeakPolarHBondContact O-CB 3.41Å; L529-A533 PolarHBondContact O-N 3.05Å; A533-F535 VanDerWaalsContact C-N 3.33Å; A533-L536 PolarHBondContact O-N 3Å; A533-R537 WeakPolarHBondContact O-CB 3.5Å; A533-R537 PolarHBondContact O-N 2.93Å; A533-I545 HydrophobicContact CB-CG2 4.42Å; A533-T666 HydrophobicContact CB-CG2 4.11Å; A533-F667 HydrophobicContact CB-CE1 4.15Å; A533-F667 HydrophobicContact CB-CE2 4.44Å; A533-F667 HydrophobicContact CB-CZ 3.63Å
534K83.3Confident81Confident102 Ų10255.3 Ų55.344%0.44326%0.255SS..Hα-helixtrans-62.6-40.4173.6-176.1-175.6178-171.60111.7S530 V531 F532 K538S530-K534 WeakPolarHBondContact O-CB 3.48Å; S530-K534 PolarHBondContact O-N 2.64Å; V531-K534 WeakPolarHBondContact O-CB 3.34Å; V531-K534 PolarHBondContact O-N 3.24Å; F532-K534 VanDerWaalsContact C-N 3.31Å; F532-K534 PolarHBondContact O-N 2.9Å; K534-K538 PolarHBondContact O-N 3.27Å
535F87.1Confident81.5Confident7 Ų750.7 Ų50.73%0.03123%0.233CC..Hα-helixtrans-64-48.9175164.3-93000111.7V531 F532 A533 R537 K538 E539 C616 R619 F620 S623 E625V531-F535 PolarHBondContact O-N 3.27Å; F532-F535 HydrophobicContact CD2-CD1 4.03Å; F532-F535 HydrophobicContact CE2-CD1 4.04Å; F532-F535 HydrophobicContact CE2-CE1 4.39Å; F532-F535 WeakPolarHBondContact O-CB 3.47Å; F532-F535 PolarHBondContact O-N 3.47Å; F532-F535 VanDerWaalsContact O-N 3.13Å; A533-F535 VanDerWaalsContact C-N 3.33Å; F535-R537 VanDerWaalsContact C-N 3.28Å; F535-R537 PolarHBondContact O-N 3.43Å; F535-K538 WeakPolarHBondContact O-CA 3.26Å; F535-K538 WeakPolarHBondContact O-CB 3.45Å; F535-K538 PolarHBondContact O-N 3.05Å; F535-E539 HydrophobicContact CE1-CG 4.22Å; F535-E539 HydrophobicContact CE2-CG 3.96Å; F535-E539 HydrophobicContact CZ-CG 3.72Å; F535-E539 WeakPolarHBondContact CZ-OE1 3.49Å; F535-E539 PolarHBondContact O-N 2.89Å; F535-C616 VanDerWaalsContact CE1-O 3.23Å; F535-C616 WeakPolarHBondContact CE1-O 3.26Å; F535-R619 HydrophobicContact CE1-CB 4.32Å; F535-R619 HydrophobicContact CE2-CB 4.38Å; F535-R619 HydrophobicContact CZ-CB 3.54Å; F535-F620 HydrophobicContact CB-CD2 3.68Å; F535-F620 HydrophobicContact CB-CE2 4.26Å; F535-F620 HydrophobicContact CD1-CB 3.64Å; F535-F620 AromaticContact CD1-CD2 3.99Å; F535-F620 HydrophobicContact CD1-CD2 3.99Å; F535-F620 HydrophobicContact CD1-CG 4.26Å; F535-F620 HydrophobicContact CD2-CD2 4.29Å; F535-F620 HydrophobicContact CE1-CB 3.71Å; F535-F620 HydrophobicContact CG-CB 4.07Å; F535-F620 AromaticContact CG-CD2 3.7Å; F535-F620 HydrophobicContact CG-CD2 3.7Å; F535-F620 HydrophobicContact CG-CG 4.38Å; F535-F620 HydrophobicContact CZ-CB 4.19Å; F535-S623 VanDerWaalsContact CD2-CB 3.46Å; F535-E625 HydrophobicContact CB-CG 4.4Å
536L86.2Confident81.9Confident0 Ų049.7 Ų49.70%023%0.227CC..Hα-helixtrans-60.7-37.3178.6-68.1175000112.4F532 A533 K538 E539 Y540 S541 I545 C616F532-L536 HydrophobicContact CD1-CD1 4.02Å; F532-L536 HydrophobicContact CD2-CG 4.32Å; F532-L536 HydrophobicContact CE1-CD1 3.72Å; F532-L536 HydrophobicContact CE1-CG 4.36Å; F532-L536 HydrophobicContact CE2-CD1 4.3Å; F532-L536 HydrophobicContact CE2-CD2 4.02Å; F532-L536 HydrophobicContact CE2-CG 4.06Å; F532-L536 HydrophobicContact CG-CD1 4.45Å; F532-L536 HydrophobicContact CZ-CD1 3.87Å; F532-L536 HydrophobicContact CZ-CD2 3.98Å; F532-L536 HydrophobicContact CZ-CG 4.09Å; F532-L536 WeakPolarHBondContact O-CG 3.43Å; F532-L536 PolarHBondContact O-N 3.1Å; A533-L536 PolarHBondContact O-N 3Å; L536-K538 VanDerWaalsContact C-N 3.29Å; L536-K538 PolarHBondContact O-N 3.44Å; L536-E539 CarbonylContact O-C 3.59Å; L536-E539 PolarHBondContact O-N 3.45Å; L536-E539 VanDerWaalsContact O-N 3.16Å; L536-Y540 PolarHBondContact O-N 3.32Å; L536-Y540 VanDerWaalsContact O-N 3.07Å; L536-S541 WeakPolarHBondContact CD2-OG 3.2Å; L536-S541 PolarHBondContact O-N 2.8Å; L536-S541 PolarHBondContact O-OG 3.25Å; L536-I545 HydrophobicContact CD1-CB 3.48Å; L536-I545 VanDerWaalsContact CD1-CB 3.48Å; L536-I545 HydrophobicContact CD1-CG1 4.3Å; L536-I545 HydrophobicContact CD1-CG2 3.63Å; L536-C616 HydrophobicContact CD2-CB 3.4Å; L536-C616 VanDerWaalsContact CD2-CB 3.4Å
537R83Confident82.5Confident87 Ų8747.9 Ų47.933%0.32822%0.215SC..Hα-helixtrans-60.2-38.4173.3-176.9173.4-56.3136.29.8112.6A533 F535 Y540 E542 T666A533-R537 WeakPolarHBondContact O-CB 3.5Å; A533-R537 PolarHBondContact O-N 2.93Å; F535-R537 VanDerWaalsContact C-N 3.28Å; F535-R537 PolarHBondContact O-N 3.43Å; R537-Y540 PolarHBondContact O-N 3.04Å; R537-E542 HydrophobicContact CB-CB 4.44Å; R537-E542 VanDerWaalsContact CB-OE2 3.29Å; R537-E542 WeakPolarHBondContact CB-OE2 3.46Å; R537-E542 WeakPolarHBondContact CD-OE2 3.44Å; R537-E542 WeakPolarHBondContact CG-OE2 3.45Å; R537-E542 IonicContact CZ-OE2 2.53Å; R537-E542 IonicContact NE-OE2 3.35Å; R537-E542 PolarHBondContact NE-OE2 3.36Å; R537-E542 IonicContact NH2-OE2 2.87Å; R537-T666 PolarHBondContact NH1-O 3.16Å; R537-T666 PolarHBondContact NH2-O 3.21Å
538K84.2Confident82.9Confident124 Ų12442.5 Ų42.554%0.53919%0.188SC..Hα-helixtrans-70-33.6175.7-75.8-177.5171.8-170.20112.3K534 F535 L536 Y540 E625K534-K538 PolarHBondContact O-N 3.27Å; F535-K538 WeakPolarHBondContact O-CA 3.26Å; F535-K538 WeakPolarHBondContact O-CB 3.45Å; F535-K538 PolarHBondContact O-N 3.05Å; L536-K538 VanDerWaalsContact C-N 3.29Å; L536-K538 PolarHBondContact O-N 3.44Å; K538-Y540 PolarHBondContact O-N 3.26Å; K538-E625 WeakPolarHBondContact CD-OE1 3.47Å; K538-E625 VanDerWaalsContact CE-OE1 3.3Å; K538-E625 WeakPolarHBondContact CE-OE1 3.28Å; K538-E625 IonicContact NZ-OE1 2.65Å; K538-E625 PolarHBondContact NZ-OE1 2.96Å
539E82.6Confident82.7Confident68 Ų6840.9 Ų40.932%0.31818%0.183SC..THydrogen-bonded Turntrans-82.96.9174.5-68.3-149.8164.900113.8F535 L536 S541 R619F535-E539 HydrophobicContact CE1-CG 4.22Å; F535-E539 HydrophobicContact CE2-CG 3.96Å; F535-E539 HydrophobicContact CZ-CG 3.72Å; F535-E539 WeakPolarHBondContact CZ-OE1 3.49Å; F535-E539 PolarHBondContact O-N 2.89Å; L536-E539 CarbonylContact O-C 3.59Å; L536-E539 PolarHBondContact O-N 3.45Å; L536-E539 VanDerWaalsContact O-N 3.16Å; E539-S541 PolarHBondContact O-N 3.03Å; E539-R619 WeakPolarHBondContact OE1-CD 3.13Å; E539-R619 IonicContact OE1-NH1 3.27Å; E539-R619 VanDerWaalsContact OE2-CD 3.25Å; E539-R619 WeakPolarHBondContact OE2-CD 3.36Å; E539-R619 IonicContact OE2-CZ 3.1Å; E539-R619 IonicContact OE2-NH1 3.84Å; E539-R619 PolarHBondContact OE2-NH1 3.47Å; E539-R619 VanDerWaalsContact OE2-NH1 3.08Å
540Y80.7Confident83Confident203 Ų20342.1 Ų42.180%0.79619%0.189SC*.THydrogen-bonded Turntrans52.538.5-175.7-57.8-89.4000112.9L536 R537 K538L536-Y540 PolarHBondContact O-N 3.32Å; L536-Y540 VanDerWaalsContact O-N 3.07Å; R537-Y540 PolarHBondContact O-N 3.04Å; K538-Y540 PolarHBondContact O-N 3.26Å
541S84Confident83.4Confident11 Ų1140.6 Ų40.68%0.07718%0.179CC..  trans-130.423.2-17562.30000112.5L536 E539 E543 N544L536-S541 WeakPolarHBondContact CD2-OG 3.2Å; L536-S541 PolarHBondContact O-N 2.8Å; L536-S541 PolarHBondContact O-OG 3.25Å; E539-S541 PolarHBondContact O-N 3.03Å; S541-E543 VanDerWaalsContact C-N 3.25Å; S541-E543 VanDerWaalsContact CA-OE2 3.26Å; S541-E543 WeakPolarHBondContact CA-OE2 3.4Å; S541-E543 PolarHBondContact O-N 2.81Å; S541-N544 WeakPolarHBondContact O-CB 3.32Å; S541-N544 PolarHBondContact O-N 3.46Å; S541-N544 PolarHBondContact O-ND2 3.09Å
542E82.2Confident83.2Confident51 Ų5140.8 Ų40.824%0.23818%0.178CC..Hα-helixtrans-67.1-23.3-178.462.9-174.6-177.700113.4R537 N544 I545 E546R537-E542 HydrophobicContact CB-CB 4.44Å; R537-E542 VanDerWaalsContact CB-OE2 3.29Å; R537-E542 WeakPolarHBondContact CB-OE2 3.46Å; R537-E542 WeakPolarHBondContact CD-OE2 3.44Å; R537-E542 WeakPolarHBondContact CG-OE2 3.45Å; R537-E542 IonicContact CZ-OE2 2.53Å; R537-E542 IonicContact NE-OE2 3.35Å; R537-E542 PolarHBondContact NE-OE2 3.36Å; R537-E542 IonicContact NH2-OE2 2.87Å; E542-N544 PolarHBondContact O-N 2.94Å; E542-I545 VanDerWaalsContact O-CG2 3.25Å; E542-I545 WeakPolarHBondContact O-CG2 3.37Å; E542-I545 PolarHBondContact O-N 3.18Å; E542-E546 WeakPolarHBondContact O-CG 3.45Å; E542-E546 PolarHBondContact O-N 2.93Å; E542-E546 VanDerWaalsContact O-N 3.14Å
543E84.2Confident83.2Confident40 Ų4045.6 Ų45.619%0.18720%0.2CC..Hα-helixtrans-59-28.6173.972-69.416600112.5S541 F547 K581 V583S541-E543 VanDerWaalsContact C-N 3.25Å; S541-E543 VanDerWaalsContact CA-OE2 3.26Å; S541-E543 WeakPolarHBondContact CA-OE2 3.4Å; S541-E543 PolarHBondContact O-N 2.81Å; E543-F547 VanDerWaalsContact O-CB 3.24Å; E543-F547 WeakPolarHBondContact O-CB 3.21Å; E543-F547 PolarHBondContact O-N 2.6Å; E543-K581 HydrophobicContact CB-CB 3.97Å; E543-V583 HydrophobicContact CG-CG1 4.48Å
544N83.7Confident83.5Confident6 Ų645.6 Ų45.63%0.03220%0.2CC..Hα-helixtrans-62.6-52.8177.1-69.6-45000110.1S541 E542 E546 F547 W548 L612S541-N544 WeakPolarHBondContact O-CB 3.32Å; S541-N544 PolarHBondContact O-N 3.46Å; S541-N544 PolarHBondContact O-ND2 3.09Å; E542-N544 PolarHBondContact O-N 2.94Å; N544-E546 VanDerWaalsContact C-N 3.35Å; N544-E546 PolarHBondContact O-N 3.02Å; N544-F547 WeakPolarHBondContact O-CB 3.25Å; N544-F547 PolarHBondContact O-N 3.48Å; N544-W548 PolarHBondContact O-N 2.68Å; N544-L612 HydrophobicContact CB-CD1 3.86Å; N544-L612 HydrophobicContact CB-CG 4.26Å; N544-L612 WeakPolarHBondContact O-CD1 3.4Å
545I79.8Confident83.7Confident0 Ų043.9 Ų43.90%019%0.193CC..Hα-helixtrans-68.9-36.8-177.6-16358.9000111.7L523 L529 F532 A533 L536 E542 F547 W548 M549 L612 F667L523-I545 HydrophobicContact CD2-CD1 3.59Å; L529-I545 HydrophobicContact CD1-CD1 3.69Å; L529-I545 HydrophobicContact CD1-CG1 3.81Å; F532-I545 HydrophobicContact CD1-CD1 4.29Å; F532-I545 HydrophobicContact CE1-CD1 4.26Å; A533-I545 HydrophobicContact CB-CG2 4.42Å; L536-I545 HydrophobicContact CD1-CB 3.48Å; L536-I545 VanDerWaalsContact CD1-CB 3.48Å; L536-I545 HydrophobicContact CD1-CG1 4.3Å; L536-I545 HydrophobicContact CD1-CG2 3.63Å; E542-I545 VanDerWaalsContact O-CG2 3.25Å; E542-I545 WeakPolarHBondContact O-CG2 3.37Å; E542-I545 PolarHBondContact O-N 3.18Å; I545-F547 VanDerWaalsContact C-N 3.33Å; I545-F547 PolarHBondContact O-N 3.3Å; I545-W548 HydrophobicContact CD1-CE3 4.27Å; I545-W548 PolarHBondContact O-N 3.41Å; I545-M549 VanDerWaalsContact C-CE 3.48Å; I545-M549 HydrophobicContact CB-CE 4.26Å; I545-M549 HydrophobicContact CG1-CE 3.85Å; I545-M549 HydrophobicContact CG1-SD 4.13Å; I545-M549 HydrophobicContact CG2-CE 4.05Å; I545-M549 WeakPolarHBondContact O-CE 3.3Å; I545-M549 WeakPolarHBondContact O-CG 3.46Å; I545-M549 PolarHBondContact O-N 3.33Å; I545-L612 HydrophobicContact CD1-CD2 4.13Å; I545-F667 HydrophobicContact CG2-CE1 4.44Å; I545-F667 HydrophobicContact CG2-CZ 4.31Å
546E82.2Confident83.6Confident27 Ų2749 Ų4913%0.12621%0.212CC..Hα-helixtrans-57.6-46.6172.7-69-177.7163.600111.6E542 N544 W548 M549 D550 K581 F667E542-E546 WeakPolarHBondContact O-CG 3.45Å; E542-E546 PolarHBondContact O-N 2.93Å; E542-E546 VanDerWaalsContact O-N 3.14Å; N544-E546 VanDerWaalsContact C-N 3.35Å; N544-E546 PolarHBondContact O-N 3.02Å; E546-W548 PolarHBondContact O-N 3.3Å; E546-M549 HydrophobicContact CG-CE 4.45Å; E546-M549 PolarHBondContact O-N 3.4Å; E546-D550 WeakPolarHBondContact O-CB 3.37Å; E546-D550 PolarHBondContact O-N 3Å; E546-K581 IonicContact OE1-NZ 3.86Å; E546-K581 PolarHBondContact OE1-NZ 3.5Å; E546-K581 VanDerWaalsContact OE1-NZ 3.09Å; E546-K581 WeakPolarHBondContact OE2-CD 3.45Å; E546-K581 WeakPolarHBondContact OE2-CE 3.31Å; E546-K581 IonicContact OE2-NZ 3.95Å; E546-K581 PolarHBondContact OE2-NZ 3.45Å; E546-F667 HydrophobicContact CG-CE1 4.39Å
547F87.3Confident83.6Confident7 Ų749.7 Ų49.73%0.03122%0.217CC..Hα-helixtrans-60.2-44.5176.7172.1-115.4000113.2E543 N544 I545 M549 D550 C551 Y574 F575 V583 F607 T610E543-F547 VanDerWaalsContact O-CB 3.24Å; E543-F547 WeakPolarHBondContact O-CB 3.21Å; E543-F547 PolarHBondContact O-N 2.6Å; N544-F547 WeakPolarHBondContact O-CB 3.25Å; N544-F547 PolarHBondContact O-N 3.48Å; I545-F547 VanDerWaalsContact C-N 3.33Å; I545-F547 PolarHBondContact O-N 3.3Å; F547-M549 VanDerWaalsContact C-N 3.31Å; F547-M549 PolarHBondContact O-N 3.44Å; F547-D550 PolarHBondContact O-N 3.29Å; F547-C551 WeakPolarHBondContact CE2-SG 2.89Å; F547-C551 WeakPolarHBondContact CZ-SG 3.21Å; F547-C551 PolarHBondContact O-N 2.96Å; F547-C551 PolarHBondContact O-SG 2.83Å; F547-Y574 HydrophobicContact CB-CD1 3.77Å; F547-Y574 HydrophobicContact CB-CD2 4.39Å; F547-Y574 HydrophobicContact CB-CE1 3.65Å; F547-Y574 HydrophobicContact CB-CE2 4.28Å; F547-Y574 HydrophobicContact CB-CG 4.17Å; F547-Y574 HydrophobicContact CD2-CD1 4.15Å; F547-Y574 AromaticContact CD2-CD2 3.5Å; F547-Y574 HydrophobicContact CD2-CD2 3.5Å; F547-Y574 VanDerWaalsContact CD2-CD2 3.5Å; F547-Y574 AromaticContact CD2-CE2 3.9Å; F547-Y574 HydrophobicContact CD2-CE2 3.9Å; F547-Y574 AromaticContact CD2-CG 3.65Å; F547-Y574 HydrophobicContact CD2-CG 3.65Å; F547-Y574 HydrophobicContact CE2-CD2 4.27Å; F547-Y574 HydrophobicContact CG-CD1 4.29Å; F547-Y574 HydrophobicContact CG-CD2 4.37Å; F547-Y574 HydrophobicContact CG-CG 4.22Å; F547-Y574 PolarHBondContact N-OH 3.25Å; F547-F575 HydrophobicContact CD2-CE2 4.19Å; F547-F575 HydrophobicContact CE1-CZ 4.25Å; F547-F575 AromaticContact CE2-CE2 3.41Å; F547-F575 HydrophobicContact CE2-CE2 3.41Å; F547-F575 VanDerWaalsContact CE2-CE2 3.41Å; F547-F575 AromaticContact CE2-CZ 3.79Å; F547-F575 HydrophobicContact CE2-CZ 3.79Å; F547-F575 AromaticContact CZ-CE2 3.66Å; F547-F575 HydrophobicContact CZ-CE2 3.66Å; F547-F575 AromaticContact CZ-CZ 3.51Å; F547-F575 HydrophobicContact CZ-CZ 3.51Å; F547-V583 HydrophobicContact CB-CG1 3.6Å; F547-V583 HydrophobicContact CD1-CG1 3.94Å; F547-V583 HydrophobicContact CD1-CG2 4.47Å; F547-V583 HydrophobicContact CD2-CG1 4.49Å; F547-V583 HydrophobicContact CG-CG1 3.73Å; F547-F607 HydrophobicContact CE2-CD1 4.21Å; F547-F607 HydrophobicContact CZ-CB 4.33Å; F547-F607 HydrophobicContact CZ-CD1 4.2Å; F547-T610 WeakPolarHBondContact CE1-OG1 3.21Å; F547-T610 HydrophobicContact CZ-CG2 4.46Å; F547-T610 WeakPolarHBondContact CZ-OG1 3.46Å
548W83.2Confident83.7Confident39 Ų3950.4 Ų50.415%0.14824%0.242CC..Hα-helixtrans-61.1-42.7177.7179.190.2000111.8L523 N544 I545 E546 C551 E552 L612L523-W548 HydrophobicContact CB-CH2 3.7Å; L523-W548 HydrophobicContact CB-CZ2 3.86Å; L523-W548 HydrophobicContact CB-CZ3 4.19Å; L523-W548 HydrophobicContact CD1-CD2 4.16Å; L523-W548 HydrophobicContact CD1-CH2 4.29Å; L523-W548 HydrophobicContact CD1-CZ2 3.68Å; L523-W548 HydrophobicContact CG-CZ2 4.35Å; N544-W548 PolarHBondContact O-N 2.68Å; I545-W548 HydrophobicContact CD1-CE3 4.27Å; I545-W548 PolarHBondContact O-N 3.41Å; E546-W548 PolarHBondContact O-N 3.3Å; W548-C551 WeakPolarHBondContact O-CB 2.89Å; W548-C551 PolarHBondContact O-N 3.48Å; W548-E552 HydrophobicContact CD2-CG 4.28Å; W548-E552 HydrophobicContact CE3-CG 4.31Å; W548-E552 HydrophobicContact CH2-CG 3.84Å; W548-E552 HydrophobicContact CZ2-CG 3.81Å; W548-E552 HydrophobicContact CZ3-CG 4.1Å; W548-E552 PolarHBondContact O-N 3.07Å; W548-L612 HydrophobicContact CB-CD1 3.59Å; W548-L612 HydrophobicContact CG-CD1 4.4Å
549M75.6Confident83.9Confident15 Ų1546.4 Ų46.47%0.07423%0.229CC..Hα-helixtrans-67.8-39.7179.8-66.1-179.9-63.300111.7L529 I545 E546 F547 C551 E552 E553 W663 F667L529-M549 HydrophobicContact CD2-SD 4.04Å; I545-M549 VanDerWaalsContact C-CE 3.48Å; I545-M549 HydrophobicContact CB-CE 4.26Å; I545-M549 HydrophobicContact CG1-CE 3.85Å; I545-M549 HydrophobicContact CG1-SD 4.13Å; I545-M549 HydrophobicContact CG2-CE 4.05Å; I545-M549 WeakPolarHBondContact O-CE 3.3Å; I545-M549 WeakPolarHBondContact O-CG 3.46Å; I545-M549 PolarHBondContact O-N 3.33Å; E546-M549 HydrophobicContact CG-CE 4.45Å; E546-M549 PolarHBondContact O-N 3.4Å; F547-M549 VanDerWaalsContact C-N 3.31Å; F547-M549 PolarHBondContact O-N 3.44Å; M549-C551 VanDerWaalsContact C-N 3.31Å; M549-C551 PolarHBondContact O-N 3.33Å; M549-E552 WeakPolarHBondContact O-CB 3.41Å; M549-E552 PolarHBondContact O-N 3.22Å; M549-E553 PolarHBondContact O-N 3.3Å; M549-W663 HydrophobicContact CB-CH2 3.39Å; M549-W663 HydrophobicContact CB-CZ2 3.69Å; M549-W663 HydrophobicContact CE-CE3 4.28Å; M549-W663 HydrophobicContact CE-CH2 2.99Å; M549-W663 HydrophobicContact CE-CZ2 3.94Å; M549-W663 HydrophobicContact CE-CZ3 3.14Å; M549-W663 HydrophobicContact CG-CH2 3.66Å; M549-W663 HydrophobicContact CG-CZ2 3.86Å; M549-W663 HydrophobicContact SD-CH2 2.98Å; M549-W663 WeakPolarHBondContact SD-CH2 3.4Å; M549-W663 HydrophobicContact SD-CZ2 3.25Å; M549-W663 WeakPolarHBondContact SD-CZ2 3.38Å; M549-W663 HydrophobicContact SD-CZ3 3.66Å; M549-F667 HydrophobicContact CE-CE2 4.07Å; M549-F667 HydrophobicContact CE-CZ 3.75Å
550D85.9Confident84.1Confident30 Ų3046.1 Ų46.116%0.1624%0.235CC..Hα-helixtrans-63-36.9172.8-80.2-3.8000111.6E546 F547 E552 E553 Y554 L570 Y574E546-D550 WeakPolarHBondContact O-CB 3.37Å; E546-D550 PolarHBondContact O-N 3Å; F547-D550 PolarHBondContact O-N 3.29Å; D550-E552 VanDerWaalsContact C-N 3.34Å; D550-E553 PolarHBondContact O-N 3.05Å; D550-Y554 WeakPolarHBondContact O-CB 3.17Å; D550-Y554 PolarHBondContact O-N 3.23Å; D550-L570 HydrophobicContact CB-CD1 3.95Å; D550-L570 HydrophobicContact CB-CD2 4.14Å; D550-L570 HydrophobicContact CB-CG 3.97Å; D550-Y574 HydrophobicContact CB-CE2 4.18Å; D550-Y574 WeakPolarHBondContact OD2-CE2 3.27Å; D550-Y574 VanDerWaalsContact OD2-CZ 3.3Å; D550-Y574 PolarHBondContact OD2-OH 3.48Å
551C86.6Confident84.5Confident8 Ų843.1 Ų43.15%0.05423%0.228CC..Hα-helixtrans-64.3-38.8172.9-71.70000112.3F547 W548 M549 Y554 K555F547-C551 WeakPolarHBondContact CE2-SG 2.89Å; F547-C551 WeakPolarHBondContact CZ-SG 3.21Å; F547-C551 PolarHBondContact O-N 2.96Å; F547-C551 PolarHBondContact O-SG 2.83Å; W548-C551 WeakPolarHBondContact O-CB 2.89Å; W548-C551 PolarHBondContact O-N 3.48Å; M549-C551 VanDerWaalsContact C-N 3.31Å; M549-C551 PolarHBondContact O-N 3.33Å; C551-Y554 WeakPolarHBondContact O-CB 3.38Å; C551-Y554 PolarHBondContact O-N 3.01Å; C551-K555 WeakPolarHBondContact O-CG 3.12Å; C551-K555 PolarHBondContact O-N 2.91Å
552E81.3Confident84.8Confident31 Ų3146 Ų4615%0.14524%0.243CC..Hα-helixtrans-65.5-38.2175.1-76.5-60114.100112.2W548 M549 D550 K555 R556W548-E552 HydrophobicContact CD2-CG 4.28Å; W548-E552 HydrophobicContact CE3-CG 4.31Å; W548-E552 HydrophobicContact CH2-CG 3.84Å; W548-E552 HydrophobicContact CZ2-CG 3.81Å; W548-E552 HydrophobicContact CZ3-CG 4.1Å; W548-E552 PolarHBondContact O-N 3.07Å; M549-E552 WeakPolarHBondContact O-CB 3.41Å; M549-E552 PolarHBondContact O-N 3.22Å; D550-E552 VanDerWaalsContact C-N 3.34Å; E552-K555 PolarHBondContact O-N 3.5Å; E552-K555 WeakPolarHBondContact OE1-CD 3.22Å; E552-K555 IonicContact OE1-NZ 3.8Å; E552-K555 PolarHBondContact OE1-NZ 2.76Å; E552-R556 VanDerWaalsContact O-CG 3.27Å; E552-R556 WeakPolarHBondContact O-CG 3.28Å; E552-R556 PolarHBondContact O-N 3.45Å; E552-R556 IonicContact OE2-CZ 3.09Å; E552-R556 IonicContact OE2-NH2 2.56Å; E552-R556 PolarHBondContact OE2-NH2 3.22Å
553E82.6Confident85.2Confident101 Ų10146 Ų4647%0.47224%0.24SC..Hα-helixtrans-63.3-45.8171.3-173.2174.3-175.400111.3M549 D550 K555 R556 A557 L566M549-E553 PolarHBondContact O-N 3.3Å; D550-E553 PolarHBondContact O-N 3.05Å; E553-K555 VanDerWaalsContact C-N 3.34Å; E553-K555 PolarHBondContact O-N 3.41Å; E553-R556 PolarHBondContact O-N 3.34Å; E553-R556 VanDerWaalsContact O-N 3.08Å; E553-A557 PolarHBondContact O-N 3.16Å; E553-L566 HydrophobicContact CG-CD1 4.28Å
554Y88.8Confident85.6Confident1 Ų147.6 Ų47.60%0.00425%0.248CC..Hα-helixtrans-57.8-42.5176.1172.5-92000112.8D550 C551 R556 A557 R563 L566 F602 T603 L606 F607D550-Y554 WeakPolarHBondContact O-CB 3.17Å; D550-Y554 PolarHBondContact O-N 3.23Å; C551-Y554 WeakPolarHBondContact O-CB 3.38Å; C551-Y554 PolarHBondContact O-N 3.01Å; Y554-R556 VanDerWaalsContact C-N 3.28Å; Y554-R556 PolarHBondContact O-N 3.33Å; Y554-A557 WeakPolarHBondContact O-CB 3.35Å; Y554-A557 PolarHBondContact O-N 2.66Å; Y554-R563 HydrophobicContact CD2-CB 4.5Å; Y554-R563 HydrophobicContact CE2-CB 3.98Å; Y554-R563 HydrophobicContact CE2-CG 4.3Å; Y554-R563 WeakPolarHBondContact CE2-O 3.48Å; Y554-L566 HydrophobicContact CD2-CB 3.99Å; Y554-F602 HydrophobicContact CE2-CD1 4.48Å; Y554-F602 VanDerWaalsContact OH-CA 3.24Å; Y554-F602 WeakPolarHBondContact OH-CA 3.34Å; Y554-F602 PolarHBondContact OH-O 3.3Å; Y554-T603 WeakPolarHBondContact CE1-O 3.45Å; Y554-T603 VanDerWaalsContact CZ-O 3.31Å; Y554-T603 PolarHBondContact OH-O 2.85Å; Y554-L606 HydrophobicContact CE1-CB 4.16Å; Y554-F607 AromaticContact CD1-CD2 3.66Å; Y554-F607 HydrophobicContact CD1-CD2 3.66Å; Y554-F607 AromaticContact CD1-CE2 3.88Å; Y554-F607 HydrophobicContact CD1-CE2 3.88Å; Y554-F607 HydrophobicContact CD2-CD2 4.48Å; Y554-F607 AromaticContact CD2-CE2 3.88Å; Y554-F607 HydrophobicContact CD2-CE2 3.88Å; Y554-F607 AromaticContact CE1-CD2 3.73Å; Y554-F607 HydrophobicContact CE1-CD2 3.73Å; Y554-F607 AromaticContact CE1-CE2 3.86Å; Y554-F607 HydrophobicContact CE1-CE2 3.86Å; Y554-F607 AromaticContact CE2-CE2 3.84Å; Y554-F607 HydrophobicContact CE2-CE2 3.84Å; Y554-F607 HydrophobicContact CG-CD2 4.06Å; Y554-F607 AromaticContact CG-CE2 3.89Å; Y554-F607 HydrophobicContact CG-CE2 3.89Å; Y554-F607 AromaticContact CZ-CE2 3.84Å
555K85.9Confident86Confident65 Ų6552.8 Ų52.828%0.28328%0.275SS..Hα-helixtrans-66-29.4176.7-73.1172.2-168.7170.10112.9C551 E552 E553 K604 D608C551-K555 WeakPolarHBondContact O-CG 3.12Å; C551-K555 PolarHBondContact O-N 2.91Å; E552-K555 PolarHBondContact O-N 3.5Å; E552-K555 WeakPolarHBondContact OE1-CD 3.22Å; E552-K555 IonicContact OE1-NZ 3.8Å; E552-K555 PolarHBondContact OE1-NZ 2.76Å; E553-K555 VanDerWaalsContact C-N 3.34Å; E553-K555 PolarHBondContact O-N 3.41Å; K555-K604 WeakPolarHBondContact O-CE 3.32Å; K555-D608 VanDerWaalsContact CE-OD1 3.3Å; K555-D608 WeakPolarHBondContact CE-OD1 3.49Å; K555-D608 IonicContact NZ-OD1 3.99Å
556R85.1Confident86.5Confident116 Ų11653.8 Ų53.844%0.43828%0.28SS..Hα-helixtrans-87-15.3-179.2-71.3175-161149.713.3114.1E552 E553 Y554 A558 L656E552-R556 VanDerWaalsContact O-CG 3.27Å; E552-R556 WeakPolarHBondContact O-CG 3.28Å; E552-R556 PolarHBondContact O-N 3.45Å; E552-R556 IonicContact OE2-CZ 3.09Å; E552-R556 IonicContact OE2-NH2 2.56Å; E552-R556 PolarHBondContact OE2-NH2 3.22Å; E553-R556 PolarHBondContact O-N 3.34Å; E553-R556 VanDerWaalsContact O-N 3.08Å; Y554-R556 VanDerWaalsContact C-N 3.28Å; Y554-R556 PolarHBondContact O-N 3.33Å; R556-A558 PolarHBondContact O-N 3.34Å; R556-L656 VanDerWaalsContact CZ-O 3.23Å; R556-L656 PolarHBondContact NH1-O 2.89Å
557A87.3Confident87Confident13 Ų1352.5 Ų52.511%0.10727%0.274CS..  trans-52.3127.6178.900000112E553 Y554 D562 R563 L566E553-A557 PolarHBondContact O-N 3.16Å; Y554-A557 WeakPolarHBondContact O-CB 3.35Å; Y554-A557 PolarHBondContact O-N 2.66Å; A557-D562 HydrophobicContact CB-CB 4.01Å; A557-R563 HydrophobicContact CB-CG 3.53Å; A557-L566 HydrophobicContact CB-CD1 3.81Å
558A84.9Confident87.3Confident102 Ų10257.7 Ų57.784%0.84330%0.296SS*.SBendtrans-74.4-40-169.500000112.3R556R556-A558 PolarHBondContact O-N 3.34Å
559S87.6Confident87.8Confident40 Ų4062.7 Ų62.728%0.2832%0.315SS..SBendtrans-104.1159.9-177.880.30000112.6Q561 D562 R563S559-Q561 VanDerWaalsContact C-N 3.27Å; S559-Q561 PolarHBondContact OG-N 3.05Å; S559-D562 WeakPolarHBondContact CB-OD2 3.42Å; S559-D562 PolarHBondContact N-OD2 2.84Å; S559-D562 WeakPolarHBondContact OG-CB 3.28Å; S559-D562 PolarHBondContact OG-N 3.32Å; S559-D562 PolarHBondContact OG-OD2 2.69Å; S559-R563 PolarHBondContact O-N 3.45Å
560S87.9Confident88.5Confident62 Ų6262.1 Ų62.143%0.43431%0.312SS..Hα-helixtrans-64.7-34.9170.7-166.90000111.5R563 Q564S560-R563 PolarHBondContact O-N 3.49Å; S560-Q564 VanDerWaalsContact O-CG 3.28Å; S560-Q564 WeakPolarHBondContact O-CG 3.46Å; S560-Q564 PolarHBondContact O-N 3.02Å
561Q89.2Confident88.8Confident141 Ų14162.2 Ų62.266%0.65931%0.311SS*.Hα-helixtrans-66.7-43.4178.7-70.4178-13.600111.8S559 R563 Q564 I565S559-Q561 VanDerWaalsContact C-N 3.27Å; S559-Q561 PolarHBondContact OG-N 3.05Å; Q561-R563 VanDerWaalsContact C-N 3.31Å; Q561-R563 PolarHBondContact O-N 2.91Å; Q561-Q564 WeakPolarHBondContact O-CB 3.31Å; Q561-Q564 PolarHBondContact O-N 3.35Å; Q561-Q564 VanDerWaalsContact O-N 3.11Å; Q561-I565 WeakPolarHBondContact O-CG1 3.11Å; Q561-I565 PolarHBondContact O-N 2.9Å
562D89.3Confident89.1Confident72 Ų7266.2 Ų66.239%0.38533%0.332SS..Hα-helixtrans-62.2-41.4175.9-60.4-37.5000110.9A557 S559 Q564 I565 L566A557-D562 HydrophobicContact CB-CB 4.01Å; S559-D562 WeakPolarHBondContact CB-OD2 3.42Å; S559-D562 PolarHBondContact N-OD2 2.84Å; S559-D562 WeakPolarHBondContact OG-CB 3.28Å; S559-D562 PolarHBondContact OG-N 3.32Å; S559-D562 PolarHBondContact OG-OD2 2.69Å; D562-Q564 VanDerWaalsContact C-N 3.33Å; D562-Q564 PolarHBondContact O-N 2.88Å; D562-I565 PolarHBondContact O-N 3Å; D562-L566 WeakPolarHBondContact O-CB 3.39Å; D562-L566 VanDerWaalsContact O-CG 3.31Å; D562-L566 WeakPolarHBondContact O-CG 3.33Å; D562-L566 PolarHBondContact O-N 3.21Å
563R91.3Very high89.6Confident50 Ų5065.6 Ų65.619%0.18933%0.33CS..Hα-helixtrans-62-39.5173.1-76.8-172-72.9148-5.7112.2Y554 A557 S559 S560 Q561 G567 F602Y554-R563 HydrophobicContact CD2-CB 4.5Å; Y554-R563 HydrophobicContact CE2-CB 3.98Å; Y554-R563 HydrophobicContact CE2-CG 4.3Å; Y554-R563 WeakPolarHBondContact CE2-O 3.48Å; A557-R563 HydrophobicContact CB-CG 3.53Å; S559-R563 PolarHBondContact O-N 3.45Å; S560-R563 PolarHBondContact O-N 3.49Å; Q561-R563 VanDerWaalsContact C-N 3.31Å; Q561-R563 PolarHBondContact O-N 2.91Å; R563-G567 WeakPolarHBondContact O-CA 3.17Å; R563-G567 PolarHBondContact O-N 3.02Å; R563-F602 HydrophobicContact CB-CB 4.33Å; R563-F602 PolarHBondContact NH1-O 3.22Å
564Q92.9Very high90Very high73 Ų7361.2 Ų61.234%0.34131%0.309SS..Hα-helixtrans-62-45.7175.3-72.7172.719.400111.9S560 Q561 D562 K568 F602S560-Q564 VanDerWaalsContact O-CG 3.28Å; S560-Q564 WeakPolarHBondContact O-CG 3.46Å; S560-Q564 PolarHBondContact O-N 3.02Å; Q561-Q564 WeakPolarHBondContact O-CB 3.31Å; Q561-Q564 PolarHBondContact O-N 3.35Å; Q561-Q564 VanDerWaalsContact O-N 3.11Å; D562-Q564 VanDerWaalsContact C-N 3.33Å; D562-Q564 PolarHBondContact O-N 2.88Å; Q564-K568 WeakPolarHBondContact O-CB 3.32Å; Q564-K568 WeakPolarHBondContact O-CG 3.44Å; Q564-K568 PolarHBondContact O-N 3.25Å; Q564-K568 VanDerWaalsContact O-N 3.1Å; Q564-F602 HydrophobicContact CB-CD2 4.16Å; Q564-F602 HydrophobicContact CB-CE2 4.2Å; Q564-F602 HydrophobicContact CB-CG 4.34Å; Q564-F602 HydrophobicContact CB-CZ 4.45Å; Q564-F602 HydrophobicContact CG-CB 4.24Å; Q564-F602 HydrophobicContact CG-CD2 3.38Å; Q564-F602 HydrophobicContact CG-CE2 3.73Å; Q564-F602 HydrophobicContact CG-CG 3.81Å; Q564-F602 HydrophobicContact CG-CZ 4.44Å
565I91Very high90.1Very high116 Ų11661.4 Ų61.460%0.59531%0.31SS*.Hα-helixtrans-64.1-50.6179.2-65.6166000110.2Q561 D562 R569Q561-I565 WeakPolarHBondContact O-CG1 3.11Å; Q561-I565 PolarHBondContact O-N 2.9Å; D562-I565 PolarHBondContact O-N 3Å; I565-R569 WeakPolarHBondContact O-CB 3.42Å; I565-R569 PolarHBondContact O-N 2.98Å
566L91.6Very high90.2Very high21 Ų2159.5 Ų59.511%0.1131%0.306CS..Hα-helixtrans-63.3-46.8178.6-71.3171.5000111.3E553 Y554 A557 D562 K568 R569 L570E553-L566 HydrophobicContact CG-CD1 4.28Å; Y554-L566 HydrophobicContact CD2-CB 3.99Å; A557-L566 HydrophobicContact CB-CD1 3.81Å; D562-L566 WeakPolarHBondContact O-CB 3.39Å; D562-L566 VanDerWaalsContact O-CG 3.31Å; D562-L566 WeakPolarHBondContact O-CG 3.33Å; D562-L566 PolarHBondContact O-N 3.21Å; L566-K568 PolarHBondContact O-N 3.28Å; L566-R569 CarbonylContact O-C 3.47Å; L566-R569 WeakPolarHBondContact O-CA 3.27Å; L566-R569 WeakPolarHBondContact O-CB 3.38Å; L566-R569 PolarHBondContact O-N 3.33Å; L566-R569 VanDerWaalsContact O-N 3.1Å; L566-L570 WeakPolarHBondContact O-CD1 3.23Å; L566-L570 PolarHBondContact O-N 2.7Å
567G92.3Very high90.2Very high0 Ų058.7 Ų58.70%032%0.315CS..Hα-helixtrans-60.1-42.2-178.800000112.9R563 L570 Y571 I597R563-G567 WeakPolarHBondContact O-CA 3.17Å; R563-G567 PolarHBondContact O-N 3.02Å; G567-L570 PolarHBondContact O-N 3.19Å; G567-Y571 WeakPolarHBondContact O-CB 3.43Å; G567-Y571 PolarHBondContact O-N 3.47Å; G567-I597 WeakPolarHBondContact O-CD1 3.45Å
568K93Very high90.2Very high115 Ų11565 Ų6550%0.535%0.347SS..Hα-helixtrans-63.6-44.6173.1-73.2178.7-179-178.70111.5Q564 L566 L570 Y571 D572 F602Q564-K568 WeakPolarHBondContact O-CB 3.32Å; Q564-K568 WeakPolarHBondContact O-CG 3.44Å; Q564-K568 PolarHBondContact O-N 3.25Å; Q564-K568 VanDerWaalsContact O-N 3.1Å; L566-K568 PolarHBondContact O-N 3.28Å; K568-L570 PolarHBondContact O-N 3.02Å; K568-Y571 WeakPolarHBondContact O-CB 3.42Å; K568-Y571 PolarHBondContact O-N 3.23Å; K568-D572 PolarHBondContact O-N 2.91Å; K568-F602 HydrophobicContact CD-CZ 4.5Å; K568-F602 HydrophobicContact CG-CE1 4.03Å; K568-F602 HydrophobicContact CG-CZ 3.86Å
569R92.9Very high90.4Very high144 Ų14460.9 Ų60.954%0.54331%0.313SS..Hα-helixtrans-58.9-48.5176.3-177.6179.6173.5-161.9-7.1111.5I565 L566 Y571 D572 C573I565-R569 WeakPolarHBondContact O-CB 3.42Å; I565-R569 PolarHBondContact O-N 2.98Å; L566-R569 CarbonylContact O-C 3.47Å; L566-R569 WeakPolarHBondContact O-CA 3.27Å; L566-R569 WeakPolarHBondContact O-CB 3.38Å; L566-R569 PolarHBondContact O-N 3.33Å; L566-R569 VanDerWaalsContact O-N 3.1Å; R569-Y571 VanDerWaalsContact C-N 3.33Å; R569-Y571 PolarHBondContact O-N 2.97Å; R569-D572 PolarHBondContact O-N 3.24Å; R569-C573 WeakPolarHBondContact O-CB 3.4Å; R569-C573 PolarHBondContact O-N 2.79Å; R569-C573 PolarHBondContact O-SG 3.29Å
570L91.4Very high90.3Very high3 Ų365.1 Ų65.12%0.01633%0.328CS..Hα-helixtrans-60.2-43.2177.5-9166.4000111D550 L566 G567 K568 D572 C573 Y574 F607D550-L570 HydrophobicContact CB-CD1 3.95Å; D550-L570 HydrophobicContact CB-CD2 4.14Å; D550-L570 HydrophobicContact CB-CG 3.97Å; L566-L570 WeakPolarHBondContact O-CD1 3.23Å; L566-L570 PolarHBondContact O-N 2.7Å; G567-L570 PolarHBondContact O-N 3.19Å; K568-L570 PolarHBondContact O-N 3.02Å; L570-D572 PolarHBondContact O-N 3.29Å; L570-C573 PolarHBondContact O-N 3.49Å; L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CG-CD2 4.4Å; L570-Y574 HydrophobicContact CG-CE2 4.35Å; L570-Y574 VanDerWaalsContact O-CD2 3.27Å; L570-Y574 WeakPolarHBondContact O-CD2 3.18Å; L570-Y574 PolarHBondContact O-N 3.02Å; L570-F607 HydrophobicContact CB-CE1 4.18Å; L570-F607 HydrophobicContact CB-CE2 4.31Å; L570-F607 HydrophobicContact CB-CZ 3.74Å; L570-F607 HydrophobicContact CD2-CD2 4.06Å; L570-F607 HydrophobicContact CD2-CE1 4.45Å; L570-F607 HydrophobicContact CD2-CE2 3.72Å; L570-F607 HydrophobicContact CD2-CZ 3.94Å
571Y92.9Very high90.2Very high32 Ų3265.5 Ų65.513%0.12532%0.322CS..Iπ-helixtrans-57.9-50.2175.2-178.2-97.6000111.8G567 K568 R569 C573 Y574 F575 S576 V593 K594 I597G567-Y571 WeakPolarHBondContact O-CB 3.43Å; G567-Y571 PolarHBondContact O-N 3.47Å; K568-Y571 WeakPolarHBondContact O-CB 3.42Å; K568-Y571 PolarHBondContact O-N 3.23Å; R569-Y571 VanDerWaalsContact C-N 3.33Å; R569-Y571 PolarHBondContact O-N 2.97Å; Y571-C573 VanDerWaalsContact C-N 3.3Å; Y571-C573 PolarHBondContact O-N 3.47Å; Y571-Y574 PolarHBondContact O-N 3.25Å; Y571-F575 HydrophobicContact CD2-CB 3.64Å; Y571-F575 HydrophobicContact CD2-CG 4.46Å; Y571-F575 HydrophobicContact CE2-CB 3.82Å; Y571-F575 HydrophobicContact CG-CB 4.39Å; Y571-F575 CarbonylContact O-C 3.44Å; Y571-F575 WeakPolarHBondContact O-CA 3.22Å; Y571-F575 PolarHBondContact O-N 2.72Å; Y571-S576 PolarHBondContact O-N 2.92Å; Y571-V593 HydrophobicContact CD2-CG1 4Å; Y571-K594 HydrophobicContact CE2-CB 3.94Å; Y571-K594 HydrophobicContact CE2-CG 4.29Å; Y571-K594 WeakPolarHBondContact OH-CG 3.31Å; Y571-I597 HydrophobicContact CD2-CG1 3.99Å; Y571-I597 HydrophobicContact CG-CG1 4.13Å; Y571-I597 HydrophobicContact CG-CG2 4.44Å
572D92.3Very high90.1Very high93 Ų9362.7 Ų62.750%0.49732%0.316SS..Iπ-helixtrans-64.9-33.2179.7-70.1-23.3000112.8K568 R569 L570 A579K568-D572 PolarHBondContact O-N 2.91Å; R569-D572 PolarHBondContact O-N 3.24Å; L570-D572 PolarHBondContact O-N 3.29Å; D572-A579 WeakPolarHBondContact O-CA 3.13Å
573C91.5Very high89.9Confident17 Ų1759.4 Ų59.412%0.11530%0.299CS..Iπ-helixtrans-74.2-42.6179.7-64.40000112.9R569 L570 Y571 A579 H580 K581R569-C573 WeakPolarHBondContact O-CB 3.4Å; R569-C573 PolarHBondContact O-N 2.79Å; R569-C573 PolarHBondContact O-SG 3.29Å; L570-C573 PolarHBondContact O-N 3.49Å; Y571-C573 VanDerWaalsContact C-N 3.3Å; Y571-C573 PolarHBondContact O-N 3.47Å; C573-A579 VanDerWaalsContact O-CB 3.28Å; C573-A579 WeakPolarHBondContact O-CB 3.42Å; C573-H580 PolarHBondContact O-N 2.6Å; C573-H580 PolarHBondContact SG-CE1 3.32Å; C573-K581 CarbonylContact O-C 3.52Å; C573-K581 PolarHBondContact O-N 3.27Å; C573-K581 VanDerWaalsContact O-N 3.14Å
574Y90.7Very high89.5Confident9 Ų960.2 Ų60.24%0.03531%0.307CS..Iπ-helixtrans-120.4-25.4-163.8-57.6-74.9000115.6F547 D550 L570 Y571 K581 P582 V583F547-Y574 HydrophobicContact CB-CD1 3.77Å; F547-Y574 HydrophobicContact CB-CD2 4.39Å; F547-Y574 HydrophobicContact CB-CE1 3.65Å; F547-Y574 HydrophobicContact CB-CE2 4.28Å; F547-Y574 HydrophobicContact CB-CG 4.17Å; F547-Y574 HydrophobicContact CD2-CD1 4.15Å; F547-Y574 AromaticContact CD2-CD2 3.5Å; F547-Y574 HydrophobicContact CD2-CD2 3.5Å; F547-Y574 VanDerWaalsContact CD2-CD2 3.5Å; F547-Y574 AromaticContact CD2-CE2 3.9Å; F547-Y574 HydrophobicContact CD2-CE2 3.9Å; F547-Y574 AromaticContact CD2-CG 3.65Å; F547-Y574 HydrophobicContact CD2-CG 3.65Å; F547-Y574 HydrophobicContact CE2-CD2 4.27Å; F547-Y574 HydrophobicContact CG-CD1 4.29Å; F547-Y574 HydrophobicContact CG-CD2 4.37Å; F547-Y574 HydrophobicContact CG-CG 4.22Å; F547-Y574 PolarHBondContact N-OH 3.25Å; D550-Y574 HydrophobicContact CB-CE2 4.18Å; D550-Y574 WeakPolarHBondContact OD2-CE2 3.27Å; D550-Y574 VanDerWaalsContact OD2-CZ 3.3Å; D550-Y574 PolarHBondContact OD2-OH 3.48Å; L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CG-CD2 4.4Å; L570-Y574 HydrophobicContact CG-CE2 4.35Å; L570-Y574 VanDerWaalsContact O-CD2 3.27Å; L570-Y574 WeakPolarHBondContact O-CD2 3.18Å; L570-Y574 PolarHBondContact O-N 3.02Å; Y571-Y574 PolarHBondContact O-N 3.25Å; Y574-K581 WeakPolarHBondContact CA-O 3.41Å; Y574-K581 HydrophobicContact CD1-CB 4.18Å; Y574-K581 WeakPolarHBondContact CD1-O 3.08Å; Y574-K581 HydrophobicContact CE1-CB 4.12Å; Y574-P582 WeakPolarHBondContact O-CA 3.41Å; Y574-V583 HydrophobicContact CD1-CG1 3.79Å; Y574-V583 HydrophobicContact CG-CG1 4.33Å; Y574-V583 PolarHBondContact O-N 2.95Å
575F90.4Very high88.8Confident5 Ų557.6 Ų57.62%0.02230%0.296CS..Iπ-helixtrans-119.2-22.7-171.6-64.6-94.4000114.5F547 Y571 V583 V585 R590 V593 F607 T610F547-F575 HydrophobicContact CD2-CE2 4.19Å; F547-F575 HydrophobicContact CE1-CZ 4.25Å; F547-F575 AromaticContact CE2-CE2 3.41Å; F547-F575 HydrophobicContact CE2-CE2 3.41Å; F547-F575 VanDerWaalsContact CE2-CE2 3.41Å; F547-F575 AromaticContact CE2-CZ 3.79Å; F547-F575 HydrophobicContact CE2-CZ 3.79Å; F547-F575 AromaticContact CZ-CE2 3.66Å; F547-F575 HydrophobicContact CZ-CE2 3.66Å; F547-F575 AromaticContact CZ-CZ 3.51Å; F547-F575 HydrophobicContact CZ-CZ 3.51Å; Y571-F575 HydrophobicContact CD2-CB 3.64Å; Y571-F575 HydrophobicContact CD2-CG 4.46Å; Y571-F575 HydrophobicContact CE2-CB 3.82Å; Y571-F575 HydrophobicContact CG-CB 4.39Å; Y571-F575 CarbonylContact O-C 3.44Å; Y571-F575 WeakPolarHBondContact O-CA 3.22Å; Y571-F575 PolarHBondContact O-N 2.72Å; F575-V583 HydrophobicContact CE1-CG2 4.12Å; F575-V583 HydrophobicContact CE2-CG2 4.24Å; F575-V583 HydrophobicContact CZ-CG2 3.85Å; F575-V585 HydrophobicContact CD1-CG2 4.23Å; F575-V585 HydrophobicContact CE1-CG2 3.8Å; F575-R590 HydrophobicContact CD1-CB 4.49Å; F575-R590 HydrophobicContact CD1-CG 4.22Å; F575-V593 HydrophobicContact CD1-CB 4.25Å; F575-V593 HydrophobicContact CD1-CG1 4.29Å; F575-V593 HydrophobicContact CD1-CG2 4.37Å; F575-V593 HydrophobicContact CD2-CG1 4.25Å; F575-V593 HydrophobicContact CE1-CB 4.36Å; F575-V593 HydrophobicContact CE1-CG2 3.98Å; F575-V593 HydrophobicContact CG-CG1 4.16Å; F575-V593 HydrophobicContact CZ-CG2 4.27Å; F575-F607 HydrophobicContact CD2-CE1 4.43Å; F575-F607 HydrophobicContact CE2-CD1 4.05Å; F575-F607 HydrophobicContact CE2-CE1 4.03Å; F575-F607 HydrophobicContact CZ-CD1 4.31Å; F575-T610 HydrophobicContact CE1-CG2 3.69Å; F575-T610 HydrophobicContact CZ-CG2 3.63Å
576S88.7Confident88.1Confident26 Ų2656.7 Ų56.718%0.18229%0.292CS..SBendtrans-55.6146.8177.8173.20000110.7Y571 N578 A579Y571-S576 PolarHBondContact O-N 2.92Å; S576-N578 PolarHBondContact O-N 3.03Å; S576-N578 PolarHBondContact OG-N 3.21Å; S576-A579 WeakPolarHBondContact O-CB 2.98Å; S576-A579 PolarHBondContact O-N 2.9Å
577P85.7Confident87.6Confident99 Ų9960.2 Ų60.264%0.64332%0.318SS*.THydrogen-bonded Turntrans-54.1-23.4173.1-2634.8000114
578N87.4Confident87.1Confident145 Ų14566 Ų6678%0.77535%0.346SS*.THydrogen-bonded Turntrans-112.423.1177.4-60.2-31.5000112.3S576 H580S576-N578 PolarHBondContact O-N 3.03Å; S576-N578 PolarHBondContact OG-N 3.21Å; N578-H580 PolarHBondContact O-N 3.38Å
579A88.3Confident86.6Confident16 Ų1660.8 Ų60.813%0.13232%0.323CS..  trans-52.7128.3175.900000110.6D572 C573 S576 K581 P582D572-A579 WeakPolarHBondContact O-CA 3.13Å; C573-A579 VanDerWaalsContact O-CB 3.28Å; C573-A579 WeakPolarHBondContact O-CB 3.42Å; S576-A579 WeakPolarHBondContact O-CB 2.98Å; S576-A579 PolarHBondContact O-N 2.9Å; A579-K581 VanDerWaalsContact C-N 3.27Å; A579-P582 HydrophobicContact CB-CB 4.17Å
580H85.4Confident86.4Confident128 Ų12857.9 Ų57.959%0.59331%0.312SS*.SBendtrans-77-18.1179.464.2-83.2000112.3C573 N578C573-H580 PolarHBondContact O-N 2.6Å; C573-H580 PolarHBondContact SG-CE1 3.32Å; N578-H580 PolarHBondContact O-N 3.38Å
581K86.7Confident86.3Confident70 Ų7062 Ų6230%0.30433%0.332SS..SBendtrans-135.767.1176.7-70.3179.7-171.7-166.30109.9E543 E546 C573 Y574 A579 V583E543-K581 HydrophobicContact CB-CB 3.97Å; E546-K581 IonicContact OE1-NZ 3.86Å; E546-K581 PolarHBondContact OE1-NZ 3.5Å; E546-K581 VanDerWaalsContact OE1-NZ 3.09Å; E546-K581 WeakPolarHBondContact OE2-CD 3.45Å; E546-K581 WeakPolarHBondContact OE2-CE 3.31Å; E546-K581 IonicContact OE2-NZ 3.95Å; E546-K581 PolarHBondContact OE2-NZ 3.45Å; C573-K581 CarbonylContact O-C 3.52Å; C573-K581 PolarHBondContact O-N 3.27Å; C573-K581 VanDerWaalsContact O-N 3.14Å; Y574-K581 WeakPolarHBondContact CA-O 3.41Å; Y574-K581 HydrophobicContact CD1-CB 4.18Å; Y574-K581 WeakPolarHBondContact CD1-O 3.08Å; Y574-K581 HydrophobicContact CE1-CB 4.12Å; A579-K581 VanDerWaalsContact C-N 3.27Å; K581-V583 PolarHBondContact O-N 2.94Å
582P86.3Confident86Confident82 Ų8262.7 Ų62.753%0.53234%0.341SS..  trans-67.6124.6-172.428-33.3000111.3Y574 A579Y574-P582 WeakPolarHBondContact O-CA 3.41Å; A579-P582 HydrophobicContact CB-CB 4.17Å
583V86.2Confident85.9Confident3 Ų358.3 Ų58.32%0.01832%0.318CS..  trans-80139172.2-67.40000110.8E543 F547 Y574 F575 K581 V585 R590E543-V583 HydrophobicContact CG-CG1 4.48Å; F547-V583 HydrophobicContact CB-CG1 3.6Å; F547-V583 HydrophobicContact CD1-CG1 3.94Å; F547-V583 HydrophobicContact CD1-CG2 4.47Å; F547-V583 HydrophobicContact CD2-CG1 4.49Å; F547-V583 HydrophobicContact CG-CG1 3.73Å; Y574-V583 HydrophobicContact CD1-CG1 3.79Å; Y574-V583 HydrophobicContact CG-CG1 4.33Å; Y574-V583 PolarHBondContact O-N 2.95Å; F575-V583 HydrophobicContact CE1-CG2 4.12Å; F575-V583 HydrophobicContact CE2-CG2 4.24Å; F575-V583 HydrophobicContact CZ-CG2 3.85Å; K581-V583 PolarHBondContact O-N 2.94Å; V583-V585 HydrophobicContact CB-CG1 4.46Å; V583-V585 HydrophobicContact CG2-CG1 3.89Å; V583-V585 HydrophobicContact CG2-CG2 4.27Å; V583-V585 PolarHBondContact O-N 2.88Å; V583-R590 PolarHBondContact O-NH2 2.79Å
584N81.3Confident85.9Confident68 Ų6861 Ų6136%0.36433%0.327SS..  trans-84.187.7176169.855.7000110.3L112 Q613L112-N584 WeakPolarHBondContact CD1-ND2 3.46Å; L112-N584 WeakPolarHBondContact CD2-ND2 3.47Å; N584-Q613 PolarHBondContact ND2-NE2 3.12Å; N584-Q613 PolarHBondContact O-NE2 2.72Å
585V79Confident85.9Confident18 Ų1864.8 Ų64.811%0.10935%0.347CS..  trans-112.1156.9171-65.40000110.2F575 V583 A589 R590 T610F575-V585 HydrophobicContact CD1-CG2 4.23Å; F575-V585 HydrophobicContact CE1-CG2 3.8Å; V583-V585 HydrophobicContact CB-CG1 4.46Å; V583-V585 HydrophobicContact CG2-CG1 3.89Å; V583-V585 HydrophobicContact CG2-CG2 4.27Å; V583-V585 PolarHBondContact O-N 2.88Å; V585-A589 HydrophobicContact CB-CB 4.35Å; V585-R590 HydrophobicContact CG2-CB 4.13Å; V585-R590 PolarHBondContact O-NH2 3.14Å; V585-T610 HydrophobicContact CG1-CG2 4.18Å
586D76.1Confident86Confident97 Ų9765 Ų6552%0.51935%0.351SS..  trans-65165.9175.968.441.8000112.6E588 A589 R590D586-E588 PolarHBondContact O-N 3.26Å; D586-E588 PolarHBondContact OD1-N 2.73Å; D586-A589 VanDerWaalsContact OD1-CB 3.29Å; D586-A589 WeakPolarHBondContact OD1-CB 3.29Å; D586-A589 PolarHBondContact OD1-N 3.04Å; D586-R590 WeakPolarHBondContact O-CB 3.44Å; D586-R590 PolarHBondContact O-N 2.97Å; D586-R590 VanDerWaalsContact O-N 3.1Å
587S81.4Confident86.1Confident94 Ų9464.8 Ų64.866%0.65735%0.348SS*.Hα-helixtrans-67.1-27.1-177.4-1690000112.7Q591S587-Q591 WeakPolarHBondContact O-CB 3.43Å; S587-Q591 PolarHBondContact O-N 3.24Å
588E80.7Confident86.3Confident123 Ų12366.4 Ų66.458%0.57535%0.347SS*.Hα-helixtrans-73.3-47.4-178.4-169.7-169.8141.700110.4D586 Q591 S592 R609D586-E588 PolarHBondContact O-N 3.26Å; D586-E588 PolarHBondContact OD1-N 2.73Å; E588-Q591 PolarHBondContact O-N 3.17Å; E588-S592 VanDerWaalsContact O-CB 3.3Å; E588-S592 WeakPolarHBondContact O-CB 3.21Å; E588-S592 PolarHBondContact O-N 3.23Å; E588-R609 IonicContact OE1-CZ 2.72Å; E588-R609 IonicContact OE1-NH2 3.83Å; E588-R609 PolarHBondContact OE1-NH2 3.12Å
589A83.5Confident86.4Confident4 Ų463.2 Ų63.23%0.03334%0.34CS..Hα-helixtrans-61.4-45.5174.600000111V585 D586 Q591 S592 V593 T610V585-A589 HydrophobicContact CB-CB 4.35Å; D586-A589 VanDerWaalsContact OD1-CB 3.29Å; D586-A589 WeakPolarHBondContact OD1-CB 3.29Å; D586-A589 PolarHBondContact OD1-N 3.04Å; A589-Q591 VanDerWaalsContact C-N 3.32Å; A589-Q591 PolarHBondContact O-N 3.26Å; A589-S592 PolarHBondContact O-N 3.25Å; A589-V593 WeakPolarHBondContact O-CG2 3.35Å; A589-V593 PolarHBondContact O-N 3.1Å; A589-T610 HydrophobicContact CB-CG2 4.17Å
590R88.6Confident86.5Confident83 Ų8364.4 Ų64.431%0.31335%0.354SS..Hα-helixtrans-60.3-42.2176.1-172.1175-64.2116.54.8111.8F575 V583 V585 D586 K594F575-R590 HydrophobicContact CD1-CB 4.49Å; F575-R590 HydrophobicContact CD1-CG 4.22Å; V583-R590 PolarHBondContact O-NH2 2.79Å; V585-R590 HydrophobicContact CG2-CB 4.13Å; V585-R590 PolarHBondContact O-NH2 3.14Å; D586-R590 WeakPolarHBondContact O-CB 3.44Å; D586-R590 PolarHBondContact O-N 2.97Å; D586-R590 VanDerWaalsContact O-N 3.1Å; R590-K594 WeakPolarHBondContact O-CB 2.9Å; R590-K594 PolarHBondContact O-N 2.94Å
591Q88.5Confident86.6Confident90 Ų9062.7 Ų62.742%0.42135%0.349SS..Hα-helixtrans-70.7-38178.4-173.260.921.700112S587 E588 A589 K594 I595S587-Q591 WeakPolarHBondContact O-CB 3.43Å; S587-Q591 PolarHBondContact O-N 3.24Å; E588-Q591 PolarHBondContact O-N 3.17Å; A589-Q591 VanDerWaalsContact C-N 3.32Å; A589-Q591 PolarHBondContact O-N 3.26Å; Q591-K594 PolarHBondContact O-N 3.41Å; Q591-I595 HydrophobicContact CG-CD1 3.87Å; Q591-I595 HydrophobicContact CG-CG1 4.39Å; Q591-I595 VanDerWaalsContact O-CG1 3.29Å; Q591-I595 WeakPolarHBondContact O-CG1 3.26Å; Q591-I595 PolarHBondContact O-N 3.4Å
592S87.6Confident86.7Confident47 Ų4760 Ų6033%0.32934%0.338SS..Hα-helixtrans-61.6-45.9176.6179.90000111.5E588 A589 I595 G596E588-S592 VanDerWaalsContact O-CB 3.3Å; E588-S592 WeakPolarHBondContact O-CB 3.21Å; E588-S592 PolarHBondContact O-N 3.23Å; A589-S592 PolarHBondContact O-N 3.25Å; S592-I595 PolarHBondContact O-N 3.37Å; S592-G596 PolarHBondContact O-N 3.45Å
593V90.4Very high86.9Confident1 Ų158.2 Ų58.21%0.00633%0.325CS..Hα-helixtrans-62.1-46.9174.4175.60000110.3Y571 F575 A589 I595 G596 I597 F607 T610Y571-V593 HydrophobicContact CD2-CG1 4Å; F575-V593 HydrophobicContact CD1-CB 4.25Å; F575-V593 HydrophobicContact CD1-CG1 4.29Å; F575-V593 HydrophobicContact CD1-CG2 4.37Å; F575-V593 HydrophobicContact CD2-CG1 4.25Å; F575-V593 HydrophobicContact CE1-CB 4.36Å; F575-V593 HydrophobicContact CE1-CG2 3.98Å; F575-V593 HydrophobicContact CG-CG1 4.16Å; F575-V593 HydrophobicContact CZ-CG2 4.27Å; A589-V593 WeakPolarHBondContact O-CG2 3.35Å; A589-V593 PolarHBondContact O-N 3.1Å; V593-I595 PolarHBondContact O-N 3.36Å; V593-G596 PolarHBondContact O-N 2.96Å; V593-I597 HydrophobicContact CG1-CG1 4.23Å; V593-I597 VanDerWaalsContact O-CG1 3.26Å; V593-I597 WeakPolarHBondContact O-CG1 3.18Å; V593-I597 PolarHBondContact O-N 3.45Å; V593-F607 HydrophobicContact CG1-CD1 4.02Å; V593-F607 HydrophobicContact CG1-CE1 3.55Å; V593-F607 HydrophobicContact CG1-CZ 4.47Å; V593-F607 HydrophobicContact CG2-CD1 4.04Å; V593-F607 HydrophobicContact CG2-CE1 4.42Å; V593-T610 HydrophobicContact CG2-CG2 4.01Å
594K91.8Very high86.9Confident72 Ų7263.6 Ų63.631%0.31335%0.349SS..Hα-helixtrans-55.9-49.9178.1-179.3176.7175.5-177.50112.2Y571 R590 Q591 G596 I597 E598Y571-K594 HydrophobicContact CE2-CB 3.94Å; Y571-K594 HydrophobicContact CE2-CG 4.29Å; Y571-K594 WeakPolarHBondContact OH-CG 3.31Å; R590-K594 WeakPolarHBondContact O-CB 2.9Å; R590-K594 PolarHBondContact O-N 2.94Å; Q591-K594 PolarHBondContact O-N 3.41Å; K594-G596 VanDerWaalsContact C-N 3.32Å; K594-G596 PolarHBondContact O-N 2.05Å; K594-I597 PolarHBondContact O-N 3.1Å; K594-E598 WeakPolarHBondContact CE-OE1 3.49Å; K594-E598 HydrophobicContact CG-CG 4.43Å; K594-E598 IonicContact NZ-OE1 3.73Å; K594-E598 WeakPolarHBondContact O-CB 3.45Å; K594-E598 WeakPolarHBondContact O-CG 3.27Å; K594-E598 PolarHBondContact O-N 3.38Å
595I90.9Very high87Confident89 Ų8963.4 Ų63.446%0.45635%0.353SS..Hα-helixtrans-61.5-42.3178.1-68.2167.2000110.6Q591 S592 V593 I597 E598 A599Q591-I595 HydrophobicContact CG-CD1 3.87Å; Q591-I595 HydrophobicContact CG-CG1 4.39Å; Q591-I595 VanDerWaalsContact O-CG1 3.29Å; Q591-I595 WeakPolarHBondContact O-CG1 3.26Å; Q591-I595 PolarHBondContact O-N 3.4Å; S592-I595 PolarHBondContact O-N 3.37Å; V593-I595 PolarHBondContact O-N 3.36Å; I595-I597 PolarHBondContact O-N 3.03Å; I595-E598 PolarHBondContact O-N 3.08Å; I595-A599 WeakPolarHBondContact O-CB 3Å; I595-A599 PolarHBondContact O-N 3.36Å
596G90.8Very high87.4Confident9 Ų963.2 Ų63.29%0.09335%0.351CS..Hα-helixtrans-62.8-40.6178.300000113.1S592 V593 K594 G600 N601S592-G596 PolarHBondContact O-N 3.45Å; V593-G596 PolarHBondContact O-N 2.96Å; K594-G596 VanDerWaalsContact C-N 3.32Å; K594-G596 PolarHBondContact O-N 2.05Å; G596-G600 PolarHBondContact O-N 2.87Å; G596-N601 PolarHBondContact O-N 3.47Å
597I90.9Very high87.9Confident23 Ų2358.9 Ų58.912%0.11833%0.327CS..Hα-helixtrans-67.3-47.1175.5-62.7-71.2000111G567 Y571 V593 K594 I595 A599 G600 F602 L606G567-I597 WeakPolarHBondContact O-CD1 3.45Å; Y571-I597 HydrophobicContact CD2-CG1 3.99Å; Y571-I597 HydrophobicContact CG-CG1 4.13Å; Y571-I597 HydrophobicContact CG-CG2 4.44Å; V593-I597 HydrophobicContact CG1-CG1 4.23Å; V593-I597 VanDerWaalsContact O-CG1 3.26Å; V593-I597 WeakPolarHBondContact O-CG1 3.18Å; V593-I597 PolarHBondContact O-N 3.45Å; K594-I597 PolarHBondContact O-N 3.1Å; I595-I597 PolarHBondContact O-N 3.03Å; I597-A599 VanDerWaalsContact C-N 3.35Å; I597-A599 PolarHBondContact O-N 3.43Å; I597-G600 PolarHBondContact O-N 3.28Å; I597-G600 VanDerWaalsContact O-N 3.1Å; I597-F602 HydrophobicContact CD1-CD1 4.01Å; I597-F602 HydrophobicContact CD1-CE1 3.39Å; I597-F602 HydrophobicContact CD1-CZ 4.13Å; I597-F602 HydrophobicContact CG2-CZ 4.43Å; I597-L606 HydrophobicContact CD1-CD2 3.64Å; I597-L606 HydrophobicContact CG1-CD2 4.27Å
598E90.4Very high87.6Confident133 Ų13358.4 Ų58.462%0.62132%0.318SS*.Hα-helixtrans-65-36.2-179.9-73.6175.8168.300112.4K594 I595 G600K594-E598 WeakPolarHBondContact CE-OE1 3.49Å; K594-E598 HydrophobicContact CG-CG 4.43Å; K594-E598 IonicContact NZ-OE1 3.73Å; K594-E598 WeakPolarHBondContact O-CB 3.45Å; K594-E598 WeakPolarHBondContact O-CG 3.27Å; K594-E598 PolarHBondContact O-N 3.38Å; I595-E598 PolarHBondContact O-N 3.08Å; E598-G600 PolarHBondContact O-N 3.21Å
599A90.7Very high86.7Confident77 Ų7759.7 Ų59.764%0.63632%0.317SS*.THydrogen-bonded Turntrans-75.1-5.517500000113.5I595 I597 N601I595-A599 WeakPolarHBondContact O-CB 3Å; I595-A599 PolarHBondContact O-N 3.36Å; I597-A599 VanDerWaalsContact C-N 3.35Å; I597-A599 PolarHBondContact O-N 3.43Å; A599-N601 HydrophobicContact CB-CB 4.41Å; A599-N601 PolarHBondContact O-N 3.4Å
600G89.2Confident85.6Confident42 Ų4260.1 Ų60.143%0.43332%0.32SS..THydrogen-bonded Turntrans69.420.2-174.800000113.9G596 I597 E598 F602G596-G600 PolarHBondContact O-N 2.87Å; I597-G600 PolarHBondContact O-N 3.28Å; I597-G600 VanDerWaalsContact O-N 3.1Å; E598-G600 PolarHBondContact O-N 3.21Å; G600-F602 VanDerWaalsContact C-CD2 3.5Å; G600-F602 VanDerWaalsContact O-CD2 3.3Å; G600-F602 WeakPolarHBondContact O-CD2 3.15Å; G600-F602 PolarHBondContact O-N 3.48Å
601N88.4Confident84.1Confident91 Ų9163 Ų6349%0.48734%0.336SS..  trans-9476.6-174.5-168.926000111.8G596 A599 T603G596-N601 PolarHBondContact O-N 3.47Å; A599-N601 HydrophobicContact CB-CB 4.41Å; A599-N601 PolarHBondContact O-N 3.4Å; N601-T603 VanDerWaalsContact C-N 3.26Å; N601-T603 PolarHBondContact O-N 3.47Å; N601-T603 VanDerWaalsContact OD1-CG2 3.31Å; N601-T603 WeakPolarHBondContact OD1-CG2 3.31Å
602F89.1Confident82.6Confident13 Ų1359.5 Ų59.56%0.05732%0.321CS..  trans-85.956.3-178.2-61.2-92.6000112.5Y554 R563 Q564 K568 I597 G600 L606Y554-F602 HydrophobicContact CE2-CD1 4.48Å; Y554-F602 VanDerWaalsContact OH-CA 3.24Å; Y554-F602 WeakPolarHBondContact OH-CA 3.34Å; Y554-F602 PolarHBondContact OH-O 3.3Å; R563-F602 HydrophobicContact CB-CB 4.33Å; R563-F602 PolarHBondContact NH1-O 3.22Å; Q564-F602 HydrophobicContact CB-CD2 4.16Å; Q564-F602 HydrophobicContact CB-CE2 4.2Å; Q564-F602 HydrophobicContact CB-CG 4.34Å; Q564-F602 HydrophobicContact CB-CZ 4.45Å; Q564-F602 HydrophobicContact CG-CB 4.24Å; Q564-F602 HydrophobicContact CG-CD2 3.38Å; Q564-F602 HydrophobicContact CG-CE2 3.73Å; Q564-F602 HydrophobicContact CG-CG 3.81Å; Q564-F602 HydrophobicContact CG-CZ 4.44Å; K568-F602 HydrophobicContact CD-CZ 4.5Å; K568-F602 HydrophobicContact CG-CE1 4.03Å; K568-F602 HydrophobicContact CG-CZ 3.86Å; I597-F602 HydrophobicContact CD1-CD1 4.01Å; I597-F602 HydrophobicContact CD1-CE1 3.39Å; I597-F602 HydrophobicContact CD1-CZ 4.13Å; I597-F602 HydrophobicContact CG2-CZ 4.43Å; G600-F602 VanDerWaalsContact C-CD2 3.5Å; G600-F602 VanDerWaalsContact O-CD2 3.3Å; G600-F602 WeakPolarHBondContact O-CD2 3.15Å; G600-F602 PolarHBondContact O-N 3.48Å; F602-L606 HydrophobicContact CD1-CD2 4.2Å
603T88.9Confident81.1Confident45 Ų4559.2 Ų59.228%0.27631%0.314SS..  trans-65.8154.7173.858.40000111Y554 N601 S605 L606Y554-T603 WeakPolarHBondContact CE1-O 3.45Å; Y554-T603 VanDerWaalsContact CZ-O 3.31Å; Y554-T603 PolarHBondContact OH-O 2.85Å; N601-T603 VanDerWaalsContact C-N 3.26Å; N601-T603 PolarHBondContact O-N 3.47Å; N601-T603 VanDerWaalsContact OD1-CG2 3.31Å; N601-T603 WeakPolarHBondContact OD1-CG2 3.31Å; T603-S605 PolarHBondContact O-N 2.91Å; T603-S605 VanDerWaalsContact O-N 3.11Å; T603-S605 PolarHBondContact OG1-OG 2.93Å; T603-L606 WeakPolarHBondContact O-CB 3.47Å; T603-L606 PolarHBondContact O-N 3.33Å; T603-L606 VanDerWaalsContact O-N 3.11Å; T603-L606 PolarHBondContact OG1-N 3.06Å
604K86.7Confident79.4Confident117 Ų11764.5 Ų64.551%0.50934%0.337SS..THydrogen-bonded Turntrans-58.3-24.4173.5-67.8-171.4176.1-167.20112.7K555K555-K604 WeakPolarHBondContact O-CE 3.32Å
605S83.9Confident78Confident64 Ų6464.9 Ų64.945%0.44834%0.343SS..THydrogen-bonded Turntrans-90.54.6-179.756.80000115.2T603 F607 D608T603-S605 PolarHBondContact O-N 2.91Å; T603-S605 VanDerWaalsContact O-N 3.11Å; T603-S605 PolarHBondContact OG1-OG 2.93Å; S605-F607 PolarHBondContact O-N 2.75Å; S605-F607 VanDerWaalsContact O-N 3.12Å; S605-D608 VanDerWaalsContact CA-CG 3.5Å; S605-D608 WeakPolarHBondContact CA-OD2 3.3Å; S605-D608 WeakPolarHBondContact CB-OD2 3.48Å; S605-D608 WeakPolarHBondContact O-CB 3.44Å; S605-D608 PolarHBondContact O-N 3.37Å
606L87.2Confident77Confident14 Ų1460.9 Ų60.97%0.07332%0.322CS..THydrogen-bonded Turntrans-54-36.2-175.517961.3000112.9Y554 I597 F602 T603Y554-L606 HydrophobicContact CE1-CB 4.16Å; I597-L606 HydrophobicContact CD1-CD2 3.64Å; I597-L606 HydrophobicContact CG1-CD2 4.27Å; F602-L606 HydrophobicContact CD1-CD2 4.2Å; T603-L606 WeakPolarHBondContact O-CB 3.47Å; T603-L606 PolarHBondContact O-N 3.33Å; T603-L606 VanDerWaalsContact O-N 3.11Å; T603-L606 PolarHBondContact OG1-N 3.06Å
607F86.5Confident76Confident5 Ų561 Ų612%0.02232%0.32CS..THydrogen-bonded Turntrans-103.96.8-179-56.3-76.8000113.4F547 Y554 L570 F575 V593 S605 R609 T610F547-F607 HydrophobicContact CE2-CD1 4.21Å; F547-F607 HydrophobicContact CZ-CB 4.33Å; F547-F607 HydrophobicContact CZ-CD1 4.2Å; Y554-F607 AromaticContact CD1-CD2 3.66Å; Y554-F607 HydrophobicContact CD1-CD2 3.66Å; Y554-F607 AromaticContact CD1-CE2 3.88Å; Y554-F607 HydrophobicContact CD1-CE2 3.88Å; Y554-F607 HydrophobicContact CD2-CD2 4.48Å; Y554-F607 AromaticContact CD2-CE2 3.88Å; Y554-F607 HydrophobicContact CD2-CE2 3.88Å; Y554-F607 AromaticContact CE1-CD2 3.73Å; Y554-F607 HydrophobicContact CE1-CD2 3.73Å; Y554-F607 AromaticContact CE1-CE2 3.86Å; Y554-F607 HydrophobicContact CE1-CE2 3.86Å; Y554-F607 AromaticContact CE2-CE2 3.84Å; Y554-F607 HydrophobicContact CE2-CE2 3.84Å; Y554-F607 HydrophobicContact CG-CD2 4.06Å; Y554-F607 AromaticContact CG-CE2 3.89Å; Y554-F607 HydrophobicContact CG-CE2 3.89Å; Y554-F607 AromaticContact CZ-CE2 3.84Å; L570-F607 HydrophobicContact CB-CE1 4.18Å; L570-F607 HydrophobicContact CB-CE2 4.31Å; L570-F607 HydrophobicContact CB-CZ 3.74Å; L570-F607 HydrophobicContact CD2-CD2 4.06Å; L570-F607 HydrophobicContact CD2-CE1 4.45Å; L570-F607 HydrophobicContact CD2-CE2 3.72Å; L570-F607 HydrophobicContact CD2-CZ 3.94Å; F575-F607 HydrophobicContact CD2-CE1 4.43Å; F575-F607 HydrophobicContact CE2-CD1 4.05Å; F575-F607 HydrophobicContact CE2-CE1 4.03Å; F575-F607 HydrophobicContact CZ-CD1 4.31Å; V593-F607 HydrophobicContact CG1-CD1 4.02Å; V593-F607 HydrophobicContact CG1-CE1 3.55Å; V593-F607 HydrophobicContact CG1-CZ 4.47Å; V593-F607 HydrophobicContact CG2-CD1 4.04Å; V593-F607 HydrophobicContact CG2-CE1 4.42Å; S605-F607 PolarHBondContact O-N 2.75Å; S605-F607 VanDerWaalsContact O-N 3.12Å; F607-R609 PolarHBondContact O-N 3.1Å; F607-T610 PolarHBondContact O-N 3.04Å; F607-T610 PolarHBondContact O-OG1 3.12Å
608D75.9Confident74.9Confident85 Ų8564.8 Ų64.846%0.45533%0.333SS..THydrogen-bonded Turntrans-66.6-26.3-175.8-73.3-9000112.9K555 S605 T610K555-D608 VanDerWaalsContact CE-OD1 3.3Å; K555-D608 WeakPolarHBondContact CE-OD1 3.49Å; K555-D608 IonicContact NZ-OD1 3.99Å; S605-D608 VanDerWaalsContact CA-CG 3.5Å; S605-D608 WeakPolarHBondContact CA-OD2 3.3Å; S605-D608 WeakPolarHBondContact CB-OD2 3.48Å; S605-D608 WeakPolarHBondContact O-CB 3.44Å; S605-D608 PolarHBondContact O-N 3.37Å; D608-T610 PolarHBondContact O-N 3.23Å
609R61.2Low74.2Confident150 Ų15061 Ų6157%0.56631%0.313SS*.THydrogen-bonded Turntrans-74.3-4.5175.4-63-177.780.794.5-7.3113.3E588 F607E588-R609 IonicContact OE1-CZ 2.72Å; E588-R609 IonicContact OE1-NH2 3.83Å; E588-R609 PolarHBondContact OE1-NH2 3.12Å; F607-R609 PolarHBondContact O-N 3.1Å
610T60.3Low73.7Confident13 Ų1357.3 Ų57.38%0.0828%0.283CS..  trans-102.790.4-179.260.70000108.7F547 F575 V585 A589 V593 F607 D608F547-T610 WeakPolarHBondContact CE1-OG1 3.21Å; F547-T610 HydrophobicContact CZ-CG2 4.46Å; F547-T610 WeakPolarHBondContact CZ-OG1 3.46Å; F575-T610 HydrophobicContact CE1-CG2 3.69Å; F575-T610 HydrophobicContact CZ-CG2 3.63Å; V585-T610 HydrophobicContact CG1-CG2 4.18Å; A589-T610 HydrophobicContact CB-CG2 4.17Å; V593-T610 HydrophobicContact CG2-CG2 4.01Å; F607-T610 PolarHBondContact O-N 3.04Å; F607-T610 PolarHBondContact O-OG1 3.12Å; D608-T610 PolarHBondContact O-N 3.23Å
611Q57.1Low73.1Confident142 Ų14258 Ų5866%0.66428%0.276SS*.  trans-77.9137.4179-71-176.5-15.800110.2Q613Q611-Q613 PolarHBondContact O-N 2.99Å
612L57.3Low72.3Confident18 Ų1857.6 Ų57.69%0.09427%0.274CS..  trans-56.8140.5167.4-149.374.4000108.9F519 F532 N544 I545 W548 F614F519-L612 HydrophobicContact CE1-CB 4.41Å; F519-L612 HydrophobicContact CE1-CD2 4.42Å; F519-L612 HydrophobicContact CZ-CB 4.46Å; F519-L612 HydrophobicContact CZ-CD2 3.7Å; F532-L612 HydrophobicContact CE1-CD2 4.26Å; N544-L612 HydrophobicContact CB-CD1 3.86Å; N544-L612 HydrophobicContact CB-CG 4.26Å; N544-L612 WeakPolarHBondContact O-CD1 3.4Å; I545-L612 HydrophobicContact CD1-CD2 4.13Å; W548-L612 HydrophobicContact CB-CD1 3.59Å; W548-L612 HydrophobicContact CG-CD1 4.4Å; L612-F614 PolarHBondContact O-N 3.33Å
613Q56.2Low71.8Confident40 Ų4057.6 Ų57.619%0.18728%0.275CS..  trans-62.5100.6178.9-72.5-178.413.500110.9N584 Q611 D615 C616N584-Q613 PolarHBondContact ND2-NE2 3.12Å; N584-Q613 PolarHBondContact O-NE2 2.72Å; Q611-Q613 PolarHBondContact O-N 2.99Å; Q613-D615 PolarHBondContact O-N 3.4Å; Q613-C616 PolarHBondContact O-N 3.28Å
614F55.1Low71.4Confident112 Ų11261 Ų6149%0.49129%0.288SS..Hα-helixtrans-55.2-22.1173.9-138.5-91.6000112.2F519 L612 C616 Y617 R618F519-F614 HydrophobicContact CB-CE2 4.42Å; F519-F614 HydrophobicContact CB-CZ 4.48Å; F519-F614 HydrophobicContact CD1-CE2 4.16Å; F519-F614 HydrophobicContact CG-CE2 4.47Å; L612-F614 PolarHBondContact O-N 3.33Å; F614-C616 VanDerWaalsContact C-N 3.34Å; F614-C616 PolarHBondContact O-N 3.08Å; F614-Y617 HydrophobicContact CE1-CD1 4.13Å; F614-Y617 HydrophobicContact CZ-CD1 4.32Å; F614-Y617 PolarHBondContact O-N 3.29Å; F614-R618 PolarHBondContact O-N 2.8Å
615D62.3Low71.1Confident81 Ų8156.5 Ų56.543%0.43327%0.269SS..Hα-helixtrans-60-41.7173.9-168.747.9000112.2Q613 Y617 R618 R619Q613-D615 PolarHBondContact O-N 3.4Å; D615-Y617 VanDerWaalsContact C-N 3.32Å; D615-Y617 PolarHBondContact O-N 2.8Å; D615-R618 PolarHBondContact O-N 3.1Å; D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.27Å; D615-R619 IonicContact OD1-NE 2.63Å; D615-R619 IonicContact OD2-CZ 3.44Å; D615-R619 IonicContact OD2-NE 2.7Å; D615-R619 PolarHBondContact OD2-NE 3.31Å; D615-R619 VanDerWaalsContact OD2-NE 3.16Å; D615-R619 IonicContact OD2-NH2 2.82Å; D615-R619 PolarHBondContact OD2-NH2 2.63Å
616C69.9Low70.8Confident4 Ų454.6 Ų54.63%0.02725%0.252CS..Hα-helixtrans-66.2-37.7177.9-63.30000111.4F532 F535 L536 Q613 F614 R619 F620F532-C616 HydrophobicContact CZ-CB 4.42Å; F535-C616 VanDerWaalsContact CE1-O 3.23Å; F535-C616 WeakPolarHBondContact CE1-O 3.26Å; L536-C616 HydrophobicContact CD2-CB 3.4Å; L536-C616 VanDerWaalsContact CD2-CB 3.4Å; Q613-C616 PolarHBondContact O-N 3.28Å; F614-C616 VanDerWaalsContact C-N 3.34Å; F614-C616 PolarHBondContact O-N 3.08Å; C616-R619 PolarHBondContact O-N 2.98Å; C616-F620 WeakPolarHBondContact O-CB 3.39Å; C616-F620 PolarHBondContact O-N 3.06Å
617Y69.3Low70.3Confident12 Ų1257 Ų575%0.04727%0.265CS..Hα-helixtrans-64.4-42.9175.6178.7-126000111.7F519 L522 F614 D615 R619 F620 L621F519-Y617 HydrophobicContact CB-CD1 3.94Å; F519-Y617 HydrophobicContact CB-CE1 3.65Å; F519-Y617 AromaticContact CD2-CD1 3.59Å; F519-Y617 HydrophobicContact CD2-CD1 3.59Å; F519-Y617 AromaticContact CD2-CD2 3.37Å; F519-Y617 HydrophobicContact CD2-CD2 3.37Å; F519-Y617 AromaticContact CD2-CE1 3.9Å; F519-Y617 HydrophobicContact CD2-CE1 3.9Å; F519-Y617 AromaticContact CD2-CE2 3.72Å; F519-Y617 HydrophobicContact CD2-CE2 3.72Å; F519-Y617 AromaticContact CD2-CG 3.29Å; F519-Y617 HydrophobicContact CD2-CG 3.29Å; F519-Y617 AromaticContact CD2-CZ 3.95Å; F519-Y617 HydrophobicContact CE2-CD1 4.34Å; F519-Y617 AromaticContact CE2-CD2 3.76Å; F519-Y617 HydrophobicContact CE2-CD2 3.76Å; F519-Y617 HydrophobicContact CE2-CE2 4.48Å; F519-Y617 AromaticContact CE2-CG 3.67Å; F519-Y617 HydrophobicContact CE2-CG 3.67Å; F519-Y617 AromaticContact CG-CD1 3.95Å; F519-Y617 HydrophobicContact CG-CD1 3.95Å; F519-Y617 HydrophobicContact CG-CD2 4.46Å; F519-Y617 HydrophobicContact CG-CE1 4.13Å; F519-Y617 HydrophobicContact CG-CG 4.11Å; L522-Y617 HydrophobicContact CD1-CD2 4.01Å; L522-Y617 HydrophobicContact CD1-CE2 3.53Å; F614-Y617 HydrophobicContact CE1-CD1 4.13Å; F614-Y617 HydrophobicContact CZ-CD1 4.32Å; F614-Y617 PolarHBondContact O-N 3.29Å; D615-Y617 VanDerWaalsContact C-N 3.32Å; D615-Y617 PolarHBondContact O-N 2.8Å; Y617-R619 VanDerWaalsContact C-N 3.31Å; Y617-R619 PolarHBondContact O-N 3.29Å; Y617-F620 HydrophobicContact CD2-CD1 4.16Å; Y617-F620 HydrophobicContact CE2-CD1 4.28Å; Y617-F620 WeakPolarHBondContact O-CB 3.45Å; Y617-F620 PolarHBondContact O-N 3.01Å; Y617-L621 HydrophobicContact CD1-CD1 4.43Å; Y617-L621 HydrophobicContact CD2-CG 4.36Å; Y617-L621 HydrophobicContact CE1-CD1 3.92Å; Y617-L621 HydrophobicContact CE2-CD1 4.19Å; Y617-L621 HydrophobicContact CE2-CD2 3.84Å; Y617-L621 HydrophobicContact CE2-CG 3.95Å; Y617-L621 WeakPolarHBondContact O-CG 3.5Å; Y617-L621 PolarHBondContact O-N 3.48Å
618R66.8Low69.9Low103 Ų10360.7 Ų60.739%0.38928%0.282SS..Hα-helixtrans-61.8-38175.6-72.9-147.8-172.7-178.99.4112.7E308 F614 D615 N622E308-R618 IonicContact OE2-NH2 3.78Å; F614-R618 PolarHBondContact O-N 2.8Å; D615-R618 PolarHBondContact O-N 3.1Å; R618-N622 PolarHBondContact O-ND2 3.26Å
619R75.7Confident69.8Low53 Ų5357.9 Ų57.920%0.227%0.27CS..Hα-helixtrans-70.5-38175.4-66.3176.8-166.3-176.93112F535 E539 D615 C616 Y617 L621 N622 S623F535-R619 HydrophobicContact CE1-CB 4.32Å; F535-R619 HydrophobicContact CE2-CB 4.38Å; F535-R619 HydrophobicContact CZ-CB 3.54Å; E539-R619 WeakPolarHBondContact OE1-CD 3.13Å; E539-R619 IonicContact OE1-NH1 3.27Å; E539-R619 VanDerWaalsContact OE2-CD 3.25Å; E539-R619 WeakPolarHBondContact OE2-CD 3.36Å; E539-R619 IonicContact OE2-CZ 3.1Å; E539-R619 IonicContact OE2-NH1 3.84Å; E539-R619 PolarHBondContact OE2-NH1 3.47Å; E539-R619 VanDerWaalsContact OE2-NH1 3.08Å; D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.27Å; D615-R619 IonicContact OD1-NE 2.63Å; D615-R619 IonicContact OD2-CZ 3.44Å; D615-R619 IonicContact OD2-NE 2.7Å; D615-R619 PolarHBondContact OD2-NE 3.31Å; D615-R619 VanDerWaalsContact OD2-NE 3.16Å; D615-R619 IonicContact OD2-NH2 2.82Å; D615-R619 PolarHBondContact OD2-NH2 2.63Å; C616-R619 PolarHBondContact O-N 2.98Å; Y617-R619 VanDerWaalsContact C-N 3.31Å; Y617-R619 PolarHBondContact O-N 3.29Å; R619-L621 VanDerWaalsContact C-N 3.35Å; R619-L621 PolarHBondContact O-N 2.96Å; R619-N622 CarbonylContact O-C 3.55Å; R619-N622 WeakPolarHBondContact O-CA 3.44Å; R619-N622 WeakPolarHBondContact O-CB 3.21Å; R619-N622 PolarHBondContact O-N 3.43Å; R619-S623 PolarHBondContact O-N 3.42Å; R619-S623 VanDerWaalsContact O-N 3.11Å
620F81.4Confident70.1Confident0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-57.6-44.8174.6170.5-108.8000112.5W515 L522 V531 F532 F535 C616 Y617 N622 S623 Y626W515-F620 HydrophobicContact CE3-CE1 4.1Å; W515-F620 HydrophobicContact CE3-CZ 4.46Å; W515-F620 HydrophobicContact CH2-CE1 4.2Å; W515-F620 AromaticContact CH2-CZ 3.75Å; W515-F620 HydrophobicContact CH2-CZ 3.75Å; W515-F620 AromaticContact CZ3-CE1 3.45Å; W515-F620 HydrophobicContact CZ3-CE1 3.45Å; W515-F620 VanDerWaalsContact CZ3-CE1 3.45Å; W515-F620 AromaticContact CZ3-CZ 3.47Å; W515-F620 HydrophobicContact CZ3-CZ 3.47Å; W515-F620 VanDerWaalsContact CZ3-CZ 3.47Å; L522-F620 HydrophobicContact CD1-CD1 3.83Å; L522-F620 HydrophobicContact CD1-CE1 3.43Å; L522-F620 VanDerWaalsContact CD1-CE1 3.43Å; L522-F620 HydrophobicContact CD1-CZ 4.35Å; V531-F620 HydrophobicContact CB-CE2 4.38Å; V531-F620 HydrophobicContact CB-CZ 4.4Å; V531-F620 HydrophobicContact CG1-CE2 3.87Å; V531-F620 HydrophobicContact CG1-CZ 4.17Å; F532-F620 HydrophobicContact CB-CD2 4.48Å; F532-F620 HydrophobicContact CB-CE2 4.3Å; F532-F620 HydrophobicContact CB-CZ 4.31Å; F532-F620 HydrophobicContact CD2-CB 3.6Å; F532-F620 AromaticContact CD2-CD1 3.8Å; F532-F620 HydrophobicContact CD2-CD1 3.8Å; F532-F620 AromaticContact CD2-CD2 3.75Å; F532-F620 HydrophobicContact CD2-CD2 3.75Å; F532-F620 HydrophobicContact CD2-CE1 4.44Å; F532-F620 HydrophobicContact CD2-CE2 4.37Å; F532-F620 AromaticContact CD2-CG 3.4Å; F532-F620 HydrophobicContact CD2-CG 3.4Å; F532-F620 VanDerWaalsContact CD2-CG 3.4Å; F532-F620 HydrophobicContact CE2-CB 3.6Å; F532-F620 HydrophobicContact CE2-CD1 4.38Å; F532-F620 AromaticContact CE2-CG 3.95Å; F532-F620 HydrophobicContact CE2-CG 3.95Å; F532-F620 HydrophobicContact CG-CG 4.42Å; F535-F620 HydrophobicContact CB-CD2 3.68Å; F535-F620 HydrophobicContact CB-CE2 4.26Å; F535-F620 HydrophobicContact CD1-CB 3.64Å; F535-F620 AromaticContact CD1-CD2 3.99Å; F535-F620 HydrophobicContact CD1-CD2 3.99Å; F535-F620 HydrophobicContact CD1-CG 4.26Å; F535-F620 HydrophobicContact CD2-CD2 4.29Å; F535-F620 HydrophobicContact CE1-CB 3.71Å; F535-F620 HydrophobicContact CG-CB 4.07Å; F535-F620 AromaticContact CG-CD2 3.7Å; F535-F620 HydrophobicContact CG-CD2 3.7Å; F535-F620 HydrophobicContact CG-CG 4.38Å; F535-F620 HydrophobicContact CZ-CB 4.19Å; C616-F620 WeakPolarHBondContact O-CB 3.39Å; C616-F620 PolarHBondContact O-N 3.06Å; Y617-F620 HydrophobicContact CD2-CD1 4.16Å; Y617-F620 HydrophobicContact CE2-CD1 4.28Å; Y617-F620 WeakPolarHBondContact O-CB 3.45Å; Y617-F620 PolarHBondContact O-N 3.01Å; F620-N622 PolarHBondContact O-N 3.37Å; F620-S623 VanDerWaalsContact O-CB 3.27Å; F620-S623 WeakPolarHBondContact O-CB 3.48Å; F620-S623 PolarHBondContact O-N 2.92Å; F620-S623 PolarHBondContact O-OG 2.67Å; F620-Y626 HydrophobicContact CD1-CD2 4.38Å; F620-Y626 AromaticContact CE1-CD2 3.57Å; F620-Y626 HydrophobicContact CE1-CD2 3.57Å; F620-Y626 HydrophobicContact CE1-CE2 4.33Å; F620-Y626 HydrophobicContact CE1-CG 4.33Å; F620-Y626 AromaticContact CZ-CD2 3.74Å; F620-Y626 HydrophobicContact CZ-CD2 3.74Å; F620-Y626 HydrophobicContact CZ-CG 4.37Å; F620-Y626 WeakPolarHBondContact O-CB 3.09Å
621L75.7Confident70.5Confident55 Ų5561.8 Ų61.829%0.28829%0.286SS..THydrogen-bonded Turntrans-62.6-15.5176.3-65.1178000113.7Y617 R619 Y626Y617-L621 HydrophobicContact CD1-CD1 4.43Å; Y617-L621 HydrophobicContact CD2-CG 4.36Å; Y617-L621 HydrophobicContact CE1-CD1 3.92Å; Y617-L621 HydrophobicContact CE2-CD1 4.19Å; Y617-L621 HydrophobicContact CE2-CD2 3.84Å; Y617-L621 HydrophobicContact CE2-CG 3.95Å; Y617-L621 WeakPolarHBondContact O-CG 3.5Å; Y617-L621 PolarHBondContact O-N 3.48Å; R619-L621 VanDerWaalsContact C-N 3.35Å; R619-L621 PolarHBondContact O-N 2.96Å; L621-Y626 HydrophobicContact CD2-CD2 4.29Å; L621-Y626 HydrophobicContact CD2-CE1 4.41Å; L621-Y626 HydrophobicContact CD2-CE2 3.96Å
622N71.1Confident70.8Confident84 Ų8461.8 Ų61.845%0.44928%0.284SS..THydrogen-bonded Turntrans-104.21.6175.4-72.1-67.7000113.4L505 R618 R619 F620L505-N622 WeakPolarHBondContact CD1-ND2 3.41Å; L505-N622 WeakPolarHBondContact CD1-OD1 2.84Å; L505-N622 WeakPolarHBondContact CD2-OD1 3.4Å; R618-N622 PolarHBondContact O-ND2 3.26Å; R619-N622 CarbonylContact O-C 3.55Å; R619-N622 WeakPolarHBondContact O-CA 3.44Å; R619-N622 WeakPolarHBondContact O-CB 3.21Å; R619-N622 PolarHBondContact O-N 3.43Å; F620-N622 PolarHBondContact O-N 3.37Å
623S79.4Confident70.4Confident12 Ų1265.2 Ų65.28%0.08431%0.306CS..SBendtrans-88.3153.5-171.875.40000111.8F535 R619 F620 E625 Y626 D627F535-S623 VanDerWaalsContact CD2-CB 3.46Å; R619-S623 PolarHBondContact O-N 3.42Å; R619-S623 VanDerWaalsContact O-N 3.11Å; F620-S623 VanDerWaalsContact O-CB 3.27Å; F620-S623 WeakPolarHBondContact O-CB 3.48Å; F620-S623 PolarHBondContact O-N 2.92Å; F620-S623 PolarHBondContact O-OG 2.67Å; S623-E625 WeakPolarHBondContact CB-OE2 3.32Å; S623-E625 PolarHBondContact O-N 3.17Å; S623-E625 PolarHBondContact OG-OE2 3.11Å; S623-Y626 PolarHBondContact O-N 3.1Å; S623-Y626 PolarHBondContact OG-N 3.07Å; S623-D627 PolarHBondContact O-N 3.2Å
624E79.9Confident69.5Low118 Ų11868.1 Ų68.155%0.55133%0.328SS*.Hα-helixtrans-63.7-26.7175.6-64.3-167.913000111.8K119 Y626 D627 E628K119-E624 IonicContact NZ-OE1 2.75Å; K119-E624 PolarHBondContact NZ-OE1 3.11Å; K119-E624 IonicContact NZ-OE2 3.12Å; K119-E624 PolarHBondContact NZ-OE2 3.11Å; E624-Y626 VanDerWaalsContact C-N 3.34Å; E624-D627 PolarHBondContact O-N 3.36Å; E624-E628 WeakPolarHBondContact O-CB 3.17Å; E624-E628 PolarHBondContact O-N 3.1Å
625E80.2Confident68.3Low22 Ų2270.9 Ų70.910%0.10335%0.347CS..Hα-helixtrans-62.9-41.1176.9-67.572.7-165.800111.8V531 F535 K538 S623 S629V531-E625 HydrophobicContact CG1-CB 3.92Å; V531-E625 WeakPolarHBondContact CG1-O 3.24Å; F535-E625 HydrophobicContact CB-CG 4.4Å; K538-E625 WeakPolarHBondContact CD-OE1 3.47Å; K538-E625 VanDerWaalsContact CE-OE1 3.3Å; K538-E625 WeakPolarHBondContact CE-OE1 3.28Å; K538-E625 IonicContact NZ-OE1 2.65Å; K538-E625 PolarHBondContact NZ-OE1 2.96Å; S623-E625 WeakPolarHBondContact CB-OE2 3.32Å; S623-E625 PolarHBondContact O-N 3.17Å; S623-E625 PolarHBondContact OG-OE2 3.11Å; E625-S629 WeakPolarHBondContact O-CB 3.37Å; E625-S629 PolarHBondContact O-N 2.93Å
626Y78.5Confident66.9Low24 Ų2473 Ų739%0.09436%0.364CS..Hα-helixtrans-67.6-47.8175.9-179.8-105.4000110.8W515 F620 L621 S623 E624 E628 S629 L630W515-Y626 HydrophobicContact CB-CE2 4.31Å; W515-Y626 HydrophobicContact CD2-CD2 4.33Å; W515-Y626 AromaticContact CD2-CE2 3.67Å; W515-Y626 HydrophobicContact CD2-CE2 3.67Å; W515-Y626 HydrophobicContact CE3-CD2 4.09Å; W515-Y626 AromaticContact CE3-CE2 3.68Å; W515-Y626 HydrophobicContact CE3-CE2 3.68Å; W515-Y626 AromaticContact CG-CE2 3.99Å; W515-Y626 HydrophobicContact CG-CE2 3.99Å; W515-Y626 HydrophobicContact CH2-CD2 4.41Å; W515-Y626 HydrophobicContact CZ3-CD2 4.14Å; W515-Y626 HydrophobicContact CZ3-CE2 4.22Å; F620-Y626 HydrophobicContact CD1-CD2 4.38Å; F620-Y626 AromaticContact CE1-CD2 3.57Å; F620-Y626 HydrophobicContact CE1-CD2 3.57Å; F620-Y626 HydrophobicContact CE1-CE2 4.33Å; F620-Y626 HydrophobicContact CE1-CG 4.33Å; F620-Y626 AromaticContact CZ-CD2 3.74Å; F620-Y626 HydrophobicContact CZ-CD2 3.74Å; F620-Y626 HydrophobicContact CZ-CG 4.37Å; F620-Y626 WeakPolarHBondContact O-CB 3.09Å; L621-Y626 HydrophobicContact CD2-CD2 4.29Å; L621-Y626 HydrophobicContact CD2-CE1 4.41Å; L621-Y626 HydrophobicContact CD2-CE2 3.96Å; S623-Y626 PolarHBondContact O-N 3.1Å; S623-Y626 PolarHBondContact OG-N 3.07Å; E624-Y626 VanDerWaalsContact C-N 3.34Å; Y626-E628 VanDerWaalsContact C-N 3.35Å; Y626-E628 PolarHBondContact O-N 3.48Å; Y626-S629 PolarHBondContact O-N 3.48Å; Y626-L630 HydrophobicContact CD1-CD1 4.02Å; Y626-L630 HydrophobicContact CE1-CD1 3.5Å; Y626-L630 HydrophobicContact CE1-CG 4.28Å; Y626-L630 WeakPolarHBondContact O-CG 3.3Å; Y626-L630 PolarHBondContact O-N 3.31Å
627D76.9Confident64.9Low63 Ų6376.9 Ų76.934%0.33740%0.396SS..Hα-helixtrans-59.4-43.5176.5-78.2-10.2000112.3S623 E624 S629 L630 R631S623-D627 PolarHBondContact O-N 3.2Å; E624-D627 PolarHBondContact O-N 3.36Å; D627-S629 VanDerWaalsContact C-N 3.34Å; D627-L630 PolarHBondContact O-N 2.84Å; D627-R631 WeakPolarHBondContact O-CG 3.5Å; D627-R631 PolarHBondContact O-N 3.36Å; D627-R631 VanDerWaalsContact O-N 3.09Å
628E77.8Confident63.1Low83 Ų8382.4 Ų82.439%0.38843%0.433SS..Hα-helixtrans-66-37.6178.1-167.1-175.2177.900111.4E624 Y626 L630 R631 K632E624-E628 WeakPolarHBondContact O-CB 3.17Å; E624-E628 PolarHBondContact O-N 3.1Å; Y626-E628 VanDerWaalsContact C-N 3.35Å; Y626-E628 PolarHBondContact O-N 3.48Å; E628-L630 VanDerWaalsContact C-N 3.34Å; E628-R631 PolarHBondContact O-N 3.42Å; E628-K632 WeakPolarHBondContact O-CG 3.3Å; E628-K632 PolarHBondContact O-N 3.18Å; E628-K632 VanDerWaalsContact OE1-CE 3.3Å; E628-K632 WeakPolarHBondContact OE1-CE 3.37Å; E628-K632 IonicContact OE1-NZ 3.6Å; E628-K632 PolarHBondContact OE1-NZ 3.45Å
629S73.3Confident61.5Low27 Ų2783.2 Ų83.219%0.18946%0.455CS..Hα-helixtrans-67-34.6175.5-169.80000112.5W515 E625 Y626 D627 T633W515-S629 WeakPolarHBondContact CZ2-OG 3.38Å; E625-S629 WeakPolarHBondContact O-CB 3.37Å; E625-S629 PolarHBondContact O-N 2.93Å; Y626-S629 PolarHBondContact O-N 3.48Å; D627-S629 VanDerWaalsContact C-N 3.34Å; S629-T633 PolarHBondContact O-OG1 3.15Å
630L68.9Low59.4Low52 Ų5292 Ų9227%0.27249%0.488SS..Hα-helixtrans-66.2-43.4173.9-70.1175.8000110.9D513 Y626 D627 E628 K632 T633D513-L630 WeakPolarHBondContact O-CD2 3.34Å; Y626-L630 HydrophobicContact CD1-CD1 4.02Å; Y626-L630 HydrophobicContact CE1-CD1 3.5Å; Y626-L630 HydrophobicContact CE1-CG 4.28Å; Y626-L630 WeakPolarHBondContact O-CG 3.3Å; Y626-L630 PolarHBondContact O-N 3.31Å; D627-L630 PolarHBondContact O-N 2.84Å; E628-L630 VanDerWaalsContact C-N 3.34Å; L630-K632 VanDerWaalsContact C-N 3.27Å; L630-K632 PolarHBondContact O-N 2.96Å; L630-T633 PolarHBondContact O-N 3.47Å; L630-T633 PolarHBondContact O-OG1 3.06Å
631R67.6Low57.1Low193 Ų193101.5 Ų101.573%0.72853%0.532SS*.Hα-helixtrans-64.2-25.5178.9-70.4-178.8-171.6119.96.2114.5D627 E628D627-R631 WeakPolarHBondContact O-CG 3.5Å; D627-R631 PolarHBondContact O-N 3.36Å; D627-R631 VanDerWaalsContact O-N 3.09Å; E628-R631 PolarHBondContact O-N 3.42Å
632K63.2Low55.1Low142 Ų142102.7 Ų102.762%0.61756%0.557SS**THydrogen-bonded Turntrans-83.5-7-179.6-75.3177.1-175.6167.50114.2E628 L630 P634E628-K632 WeakPolarHBondContact O-CG 3.3Å; E628-K632 PolarHBondContact O-N 3.18Å; E628-K632 VanDerWaalsContact OE1-CE 3.3Å; E628-K632 WeakPolarHBondContact OE1-CE 3.37Å; E628-K632 IonicContact OE1-NZ 3.6Å; E628-K632 PolarHBondContact OE1-NZ 3.45Å; L630-K632 VanDerWaalsContact C-N 3.27Å; L630-K632 PolarHBondContact O-N 2.96Å; K632-P634 VanDerWaalsContact O-CD 3.26Å; K632-P634 WeakPolarHBondContact O-CD 3.24Å
633T50.3Low53.2Low89 Ų89108.3 Ų108.355%0.54658%0.581SS.*SBendtrans-77114177-36.70000109S629 L630 L635S629-T633 PolarHBondContact O-OG1 3.15Å; L630-T633 PolarHBondContact O-N 3.47Å; L630-T633 PolarHBondContact O-OG1 3.06Å; T633-L635 PolarHBondContact O-N 2.79Å
634P36.3Very low51Low102 Ų102111.5 Ų111.566%0.66262%0.616SS**  trans-69.3131.2-175.5-15.129.6000111.2K632 T636K632-P634 VanDerWaalsContact O-CD 3.26Å; K632-P634 WeakPolarHBondContact O-CD 3.24Å; P634-T636 VanDerWaalsContact C-N 3.28Å; P634-T636 PolarHBondContact O-N 3.41Å
635L29.4Very low48.7Very low169 Ų169116.5 Ų116.589%0.88564%0.636SS**  trans-61.687.5162.3-68.1165.6000109.2T633T633-L635 PolarHBondContact O-N 2.79Å
636T32.9Very low46.2Very low127 Ų127118.9 Ų118.978%0.77967%0.667SS**  trans-124.299165.524.10000109.1P634P634-T636 VanDerWaalsContact C-N 3.28Å; P634-T636 PolarHBondContact O-N 3.41Å
637A29.1Very low43.9Very low85 Ų85122.5 Ų122.570%0.70270%0.701SS**  trans-57.8147.1165.900000110.1S639A637-S639 PolarHBondContact O-N 2.93Å; A637-S639 VanDerWaalsContact O-N 3.1Å
638P32Very low41.5Very low128 Ų128130 Ų13083%0.83173%0.731SS**  trans-76104.7-178.830.1-30.7000109.8R640P638-R640 PolarHBondContact O-N 2.86Å
639S33Very low39.1Very low120 Ų120130.9 Ų130.984%0.83975%0.746SS**  trans-72.1119.8165.4-59.40000109.3A637A637-S639 PolarHBondContact O-N 2.93Å; A637-S639 VanDerWaalsContact O-N 3.1Å
640R30.9Very low36.9Very low237 Ų237135.7 Ų135.789%0.89477%0.77SS**  trans-61.8134.7166.3-74.3172.3154.8166.8-7.1109.5P638P638-R640 PolarHBondContact O-N 2.86Å
641E33.3Very low35.1Very low200 Ų200139.2 Ų139.294%0.93580%0.799SS**  trans172.1141.9137.9-96.1167.9-157.500109.9
642G33.5Very low33.3Very low79 Ų79141.7 Ų141.781%0.81481%0.809SS**  trans110.986.5160.100000117.1
643E31.7Very low31.7Very low202 Ų202145.6 Ų145.694%0.94482%0.819SS**  trans-28.3143.5164-60.1172.2124.600118.9
644G31.9Very low30.6Very low80 Ų80152.4 Ų152.483%0.82584%0.835SS**  trans173.897.6164.800000113.4
645K31.7Very low30.3Very low222 Ų222159.2 Ų159.297%0.96585%0.847SS**  trans-58.5137.6-176.9-62.3165.6177.8171.70113.2
646G29Very low30.4Very low73 Ų73156.8 Ų156.875%0.75384%0.835SS**  trans150.9116.9155.400000117
647A29.4Very low30.6Very low99 Ų99155.2 Ų155.282%0.81883%0.829SS**  trans67.592.115700000119.2
648F26Very low31.1Very low221 Ų221153.7 Ų153.797%0.96981%0.809SS**  trans-86.992.4157.4-141.4-90.6000108.6
649S28Very low31.3Very low101 Ų101151.3 Ų151.371%0.70679%0.794SS**  trans-163.8134.9158.654.30000112.3
650D28Very low31.3Very low128 Ų128153.7 Ų153.768%0.68479%0.789SS**  trans72.367.3153.4-149.617.8000119.4
651S29.9Very low31.6Very low126 Ų126146.3 Ų146.388%0.88177%0.774SS**  trans-112.112.7166.8-74.40000114.5
652R30.9Very low32.1Very low246 Ų246138.7 Ų138.793%0.92874%0.738SS**SBendtrans-89.55.3-177.1-115.5-175.8-87.9-163.2-3.2114.9
653R29.6Very low32.5Very low223 Ų223138.4 Ų138.484%0.84271%0.712SS**SBendtrans-126.76.1-170.6-88.5-173.3-171.5-132.72.5118.3
654R26.7Very low32.8Very low233 Ų233135.3 Ų135.388%0.87970%0.695SS**  trans-13795.3-177.8-60.8-172.1-156-164.96.1113.1
655R29.5Very low33.8Very low244 Ų244139.7 Ų139.792%0.92169%0.694SS**  trans-174.632.7153.8-108.8173.4-145.8-131.66.6115.9S657R655-S657 VanDerWaalsContact C-N 3.32Å; R655-S657 PolarHBondContact O-N 2.82Å
656L31.2Very low34.5Very low119 Ų119129.8 Ų129.862%0.62365%0.652SS**  trans-87.432-177.5-73.6169.5000115.2R556R556-L656 VanDerWaalsContact CZ-O 3.23Å; R556-L656 PolarHBondContact NH1-O 2.89Å
657S38.1Very low35.4Very low94 Ų94128.2 Ų128.266%0.65763%0.625SS**  trans-152124.1166.1570000111R655R655-S657 VanDerWaalsContact C-N 3.32Å; R655-S657 PolarHBondContact O-N 2.82Å
658L39.7Very low36Very low52 Ų52127.1 Ų127.127%0.27261%0.611SS.*  trans-78.1131.2167.2-64.9-177.9000108.5P526 L529 F662P526-L658 HydrophobicContact CB-CD1 3.85Å; P526-L658 HydrophobicContact CB-CD2 3.47Å; P526-L658 VanDerWaalsContact CB-CD2 3.47Å; P526-L658 HydrophobicContact CB-CG 4.3Å; P526-L658 HydrophobicContact CG-CD2 3.66Å; L529-L658 HydrophobicContact CD2-CD1 3.85Å; L658-F662 HydrophobicContact CB-CD1 4.19Å; L658-F662 HydrophobicContact CD1-CD1 3.78Å; L658-F662 HydrophobicContact CD1-CE1 3.71Å; L658-F662 HydrophobicContact CD1-CG 4.44Å; L658-F662 HydrophobicContact CD1-CZ 4.3Å
659P35.6Very low36.6Very low79 Ų79120.1 Ų120.151%0.51360%0.601SS.*  trans-57.9145.5-179.8-23.532.4000112.3S661 F662P659-S661 WeakPolarHBondContact CB-OG 3.45Å; P659-S661 PolarHBondContact O-N 3Å; P659-F662 VanDerWaalsContact O-CB 3.31Å; P659-F662 WeakPolarHBondContact O-CB 3.39Å; P659-F662 PolarHBondContact O-N 3.39Å
660F33.7Very low36.8Very low170 Ų170125.6 Ų125.675%0.74661%0.606SS**Hα-helixtrans-51-25.3173.3-178.5-98.5000113.7W663 K664F660-W663 WeakPolarHBondContact O-CB 3.18Å; F660-W663 PolarHBondContact O-N 2.99Å; F660-K664 PolarHBondContact O-N 3.34Å
661S35.8Very low36.9Very low82 Ų82131 Ų13157%0.57362%0.617SS**Hα-helixtrans-65.2-39.3174.153.60000113.4P659 W663 K664 H665P659-S661 WeakPolarHBondContact CB-OG 3.45Å; P659-S661 PolarHBondContact O-N 3Å; S661-W663 PolarHBondContact O-N 2.71Å; S661-K664 PolarHBondContact O-N 2.76Å; S661-H665 WeakPolarHBondContact O-CB 3.29Å; S661-H665 PolarHBondContact O-N 3.29Å
662F44.6Very low36.7Very low40 Ų40135.2 Ų135.218%0.17562%0.62CS.*Hα-helixtrans-58-39.8174.8175.2-94.6000110.7P526 L529 L658 P659 H665 T666P526-F662 HydrophobicContact CB-CD2 4.07Å; P526-F662 HydrophobicContact CB-CE2 3.7Å; P526-F662 HydrophobicContact CB-CZ 4.06Å; P526-F662 WeakPolarHBondContact O-CE2 3.32Å; P526-F662 WeakPolarHBondContact O-CZ 3.42Å; L529-F662 HydrophobicContact CD2-CE1 4.46Å; L658-F662 HydrophobicContact CB-CD1 4.19Å; L658-F662 HydrophobicContact CD1-CD1 3.78Å; L658-F662 HydrophobicContact CD1-CE1 3.71Å; L658-F662 HydrophobicContact CD1-CG 4.44Å; L658-F662 HydrophobicContact CD1-CZ 4.3Å; P659-F662 VanDerWaalsContact O-CB 3.31Å; P659-F662 WeakPolarHBondContact O-CB 3.39Å; P659-F662 PolarHBondContact O-N 3.39Å; F662-H665 PolarHBondContact O-N 3.33Å; F662-T666 WeakPolarHBondContact O-CB 3.43Å; F662-T666 PolarHBondContact O-N 3.31Å; F662-T666 PolarHBondContact O-OG1 3.24Å
663W42.2Very low36.5Very low72 Ų72132.8 Ų132.827%0.27364%0.64SS.*Hα-helixtrans-70.1-48.2179.1-74.699000113.8M549 F660 S661 H665 T666 F667M549-W663 HydrophobicContact CB-CH2 3.39Å; M549-W663 HydrophobicContact CB-CZ2 3.69Å; M549-W663 HydrophobicContact CE-CE3 4.28Å; M549-W663 HydrophobicContact CE-CH2 2.99Å; M549-W663 HydrophobicContact CE-CZ2 3.94Å; M549-W663 HydrophobicContact CE-CZ3 3.14Å; M549-W663 HydrophobicContact CG-CH2 3.66Å; M549-W663 HydrophobicContact CG-CZ2 3.86Å; M549-W663 HydrophobicContact SD-CH2 2.98Å; M549-W663 WeakPolarHBondContact SD-CH2 3.4Å; M549-W663 HydrophobicContact SD-CZ2 3.25Å; M549-W663 WeakPolarHBondContact SD-CZ2 3.38Å; M549-W663 HydrophobicContact SD-CZ3 3.66Å; F660-W663 WeakPolarHBondContact O-CB 3.18Å; F660-W663 PolarHBondContact O-N 2.99Å; S661-W663 PolarHBondContact O-N 2.71Å; W663-H665 PolarHBondContact O-N 3.41Å; W663-T666 PolarHBondContact O-N 3.35Å; W663-F667 HydrophobicContact CD2-CD2 4.43Å; W663-F667 HydrophobicContact CD2-CE2 4.45Å; W663-F667 AromaticContact CE3-CD2 3.4Å; W663-F667 HydrophobicContact CE3-CD2 3.4Å; W663-F667 VanDerWaalsContact CE3-CD2 3.4Å; W663-F667 AromaticContact CE3-CE2 3.48Å; W663-F667 HydrophobicContact CE3-CE2 3.48Å; W663-F667 VanDerWaalsContact CE3-CE2 3.48Å; W663-F667 HydrophobicContact CE3-CG 4.36Å; W663-F667 HydrophobicContact CE3-CZ 4.5Å; W663-F667 AromaticContact CZ3-CD2 3.9Å; W663-F667 HydrophobicContact CZ3-CD2 3.9Å; W663-F667 AromaticContact CZ3-CE2 3.64Å; W663-F667 HydrophobicContact CZ3-CE2 3.64Å; W663-F667 HydrophobicContact CZ3-CZ 4.27Å; W663-F667 PolarHBondContact O-N 3.13Å
664K38Very low36.8Very low137 Ų137128.3 Ų128.360%0.59663%0.63SS**Hα-helixtrans-55.8-42.5174.8-167.6-180179.3179.60109.9F660 S661 S668F660-K664 PolarHBondContact O-N 3.34Å; S661-K664 PolarHBondContact O-N 2.76Å; K664-S668 WeakPolarHBondContact CG-OG 3.39Å; K664-S668 WeakPolarHBondContact O-CB 3.31Å; K664-S668 PolarHBondContact O-N 3.19Å; K664-S668 PolarHBondContact O-OG 3.39Å
665H53.2Low37.3Very low172 Ų172122.8 Ų122.880%0.79662%0.617SS**Hα-helixtrans-71.9-38.7-179.1-160.4-91.2000113.3S661 F662 W663S661-H665 WeakPolarHBondContact O-CB 3.29Å; S661-H665 PolarHBondContact O-N 3.29Å; F662-H665 PolarHBondContact O-N 3.33Å; W663-H665 PolarHBondContact O-N 3.41Å
666T45.2Very low37.8Very low14 Ų14116.1 Ų116.19%0.08660%0.6CS.*Hα-helixtrans-79.9-29.1-176.7-53.80000112.9A533 R537 F662 W663A533-T666 HydrophobicContact CB-CG2 4.11Å; R537-T666 PolarHBondContact NH1-O 3.16Å; R537-T666 PolarHBondContact NH2-O 3.21Å; F662-T666 WeakPolarHBondContact O-CB 3.43Å; F662-T666 PolarHBondContact O-N 3.31Å; F662-T666 PolarHBondContact O-OG1 3.24Å; W663-T666 PolarHBondContact O-N 3.35Å
667F49.2Very low38.1Very low41 Ų41115.9 Ų115.918%0.1860%0.599CS.*Hα-helixtrans-123-2.7-171.2-62.8-88.1000116.1A533 I545 E546 M549 W663 G669A533-F667 HydrophobicContact CB-CE1 4.15Å; A533-F667 HydrophobicContact CB-CE2 4.44Å; A533-F667 HydrophobicContact CB-CZ 3.63Å; I545-F667 HydrophobicContact CG2-CE1 4.44Å; I545-F667 HydrophobicContact CG2-CZ 4.31Å; E546-F667 HydrophobicContact CG-CE1 4.39Å; M549-F667 HydrophobicContact CE-CE2 4.07Å; M549-F667 HydrophobicContact CE-CZ 3.75Å; W663-F667 HydrophobicContact CD2-CD2 4.43Å; W663-F667 HydrophobicContact CD2-CE2 4.45Å; W663-F667 AromaticContact CE3-CD2 3.4Å; W663-F667 HydrophobicContact CE3-CD2 3.4Å; W663-F667 VanDerWaalsContact CE3-CD2 3.4Å; W663-F667 AromaticContact CE3-CE2 3.48Å; W663-F667 HydrophobicContact CE3-CE2 3.48Å; W663-F667 VanDerWaalsContact CE3-CE2 3.48Å; W663-F667 HydrophobicContact CE3-CG 4.36Å; W663-F667 HydrophobicContact CE3-CZ 4.5Å; W663-F667 AromaticContact CZ3-CD2 3.9Å; W663-F667 HydrophobicContact CZ3-CD2 3.9Å; W663-F667 AromaticContact CZ3-CE2 3.64Å; W663-F667 HydrophobicContact CZ3-CE2 3.64Å; W663-F667 HydrophobicContact CZ3-CZ 4.27Å; W663-F667 PolarHBondContact O-N 3.13Å; F667-G669 PolarHBondContact O-N 3.49Å
668S41.7Very low38.1Very low75 Ų75117.3 Ų117.352%0.52460%0.595SS.*THydrogen-bonded Turntrans-72.122.9179.8-70.60000116.3K664 R670K664-S668 WeakPolarHBondContact CG-OG 3.39Å; K664-S668 WeakPolarHBondContact O-CB 3.31Å; K664-S668 PolarHBondContact O-N 3.19Å; K664-S668 PolarHBondContact O-OG 3.39Å; S668-R670 VanDerWaalsContact C-N 3.28Å; S668-R670 PolarHBondContact O-N 3.39Å
669G38.1Very low38Very low74 Ų74121.6 Ų121.676%0.76362%0.617SS**THydrogen-bonded Turntrans-71.2-8.6-17800000116.3F667F667-G669 PolarHBondContact O-N 3.49Å
670R32.7Very low38.2Very low216 Ų216124.6 Ų124.682%0.81562%0.624SS**  trans-139.582.7-178.3-80-174.2-1711735.3112.8S668S668-R670 VanDerWaalsContact C-N 3.28Å; S668-R670 PolarHBondContact O-N 3.39Å
671R28.5Very low38.6Very low241 Ų241121.2 Ų121.291%0.90962%0.615SS**  trans-143.984.9152.2-80-166.2176.7-180-1.2108
672K26Very low38.8Very low216 Ų216124.4 Ų124.494%0.93962%0.618SS**  trans176.675.5161.1-98.3169.5-173.7-170.20109.4
673S26.2Very low38.3Very low195 Ų195132.1 Ų132.1100%1.36466%0.659SS**  trans-171.80145.670.90000108.5

Retrieved 673 of 673 residues in 266.8 ms (Link to these results)

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