A0A087XSX4_POEFO Loading...

Alpha and gamma adaptin binding protein

AlphaFold DB , UniProt , Accession A0A087XSX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 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
1M36.1Very low50.1Low241 Ų241149.1 Ų149.1100%1.18780%0.801SS**  0870-71.7-67.3-173.100105.7
2S37.8Very low53.8Low122 Ų122141.4 Ų141.485%0.85376%0.759SS**PPolyproline II helixtrans-79.5123.7176.5-52.30000107
3S37.7Very low57.2Low101 Ų101130.7 Ų130.771%0.70670%0.702SS**PPolyproline II helixtrans-54.2136.9169.438.50000109.3E5S3-E5 PolarHBondContact O-N 3.01Å
4P46.9Very low60Low119 Ų119121.4 Ų121.477%0.77365%0.651SS**PPolyproline II helixtrans-66.8121168.129.7-27.8000106.1E6P4-E6 VanDerWaalsContact C-N 3.35Å; P4-E6 PolarHBondContact O-N 3.22Å
5E43.2Very low62.6Low186 Ų186113.3 Ų113.387%0.86961%0.608SS**  trans-58.5107.4159.4-71.2173.5168.800105.3S3 N7S3-E5 PolarHBondContact O-N 3.01Å; E5-N7 PolarHBondContact O-N 2.86Å
6E43Very low64.8Low173 Ų173106.2 Ų106.281%0.80857%0.57SS**  trans-57.199.2160.6-99.6175.6161.800105.1P4 T8P4-E6 VanDerWaalsContact C-N 3.35Å; P4-E6 PolarHBondContact O-N 3.22Å; E6-T8 PolarHBondContact O-N 2.9Å
7N39.6Very low66.8Low155 Ų155100 Ų10083%0.82954%0.537SS*.  trans-67.680.7168.3-157.231.8000105.1E5 E9E5-N7 PolarHBondContact O-N 2.86Å; N7-E9 PolarHBondContact O-N 3.24Å
8T48.7Very low68.6Low112 Ų11294.5 Ų94.569%0.68751%0.507SS*.  trans-60.197.1169.736.20000105.7E6 M10E6-T8 PolarHBondContact O-N 2.9Å; T8-M10 PolarHBondContact O-N 2.78Å
9E60.3Low70.1Confident176 Ų17690.3 Ų90.382%0.82249%0.486SS*.  trans-53.7110.7172.9-142.1170.2-163.500106N7 I11N7-E9 PolarHBondContact O-N 3.24Å; E9-I11 PolarHBondContact O-N 2.84Å
10M70.5Confident71.3Confident171 Ų17187.2 Ų87.284%0.84247%0.47SS*.  trans-65115.5-176.7-74.4-169.3-70.200108T8 L12T8-M10 PolarHBondContact O-N 2.78Å; M10-L12 PolarHBondContact O-N 3.22Å; M10-L12 VanDerWaalsContact O-N 3.16Å
11I87.3Confident72.4Confident84 Ų8484.4 Ų84.443%0.43146%0.455SS..  trans-69.9111176.7-60.8176.8000107.2E9E9-I11 PolarHBondContact O-N 2.84Å
12L94.9Very high74.9Confident57 Ų5778.8 Ų78.830%0.29844%0.44SS..  trans-69.9144.5176-70.2176.3000110.3M10 D64 Q66 S83M10-L12 PolarHBondContact O-N 3.22Å; M10-L12 VanDerWaalsContact O-N 3.16Å; L12-D64 HydrophobicContact CD1-CB 4.41Å; L12-D64 HydrophobicContact CD2-CB 4.02Å; L12-Q66 HydrophobicContact CB-CG 4.01Å; L12-Q66 HydrophobicContact CD1-CG 4.22Å; L12-S83 VanDerWaalsContact O-CB 3.24Å; L12-S83 WeakPolarHBondContact O-CB 3.25Å
13P97.2Very high77.5Confident2 Ų281 Ų811%0.01344%0.436CS..  trans-62.9147.9173.628.6-35.1000110.7D64 V65 Q66 S83 Q85 W178 S180P13-D64 WeakPolarHBondContact CD-O 3.33Å; P13-V65 HydrophobicContact CG-CG2 4.35Å; P13-V65 CarbonylContact O-C 3.56Å; P13-V65 WeakPolarHBondContact O-CA 3.04Å; P13-V65 WeakPolarHBondContact O-CG1 3.23Å; P13-Q66 PolarHBondContact O-N 2.98Å; P13-S83 CarbonylContact C-O 3.54Å; P13-S83 WeakPolarHBondContact CA-O 3.31Å; P13-Q85 HydrophobicContact CB-CG 4.28Å; P13-W178 HydrophobicContact CB-CE3 3.89Å; P13-W178 HydrophobicContact CB-CZ3 4.42Å; P13-W178 HydrophobicContact CG-CB 4.44Å; P13-W178 HydrophobicContact CG-CE3 4.12Å; P13-S180 VanDerWaalsContact CG-OG 3.25Å; P13-S180 WeakPolarHBondContact CG-OG 3.4Å
14C97.1Very high80.3Confident0 Ų077.8 Ų77.80%041%0.41CS..EExtended strand (participates in β ladder)trans-127.2147.9179.181.40000114Q66 C68 S83 M84 Q85 A86C14-Q66 CarbonylContact C-O 3.47Å; C14-Q66 WeakPolarHBondContact CA-O 3.35Å; C14-Q66 HydrophobicContact CB-CB 4Å; C14-Q66 WeakPolarHBondContact CB-O 3.44Å; C14-C68 HydrophobicContact CB-CB 4.27Å; C14-S83 PolarHBondContact N-O 3.29Å; C14-S83 PolarHBondContact SG-OG 2.84Å; C14-M84 VanDerWaalsContact SG-CA 3.58Å; C14-Q85 PolarHBondContact O-N 2.97Å; C14-A86 PolarHBondContact O-N 3.2Å
15V98.7Very high82.6Confident0 Ų078.1 Ų78.10%040%0.399CS..EExtended strand (participates in β ladder)trans-93.8113.5161.2-170.70000106.8V17 V65 Q66 L67 C68 A86 I88 L173 W178V15-V17 HydrophobicContact CG1-CG2 4.35Å; V15-V65 HydrophobicContact CG2-CG1 3.9Å; V15-Q66 PolarHBondContact N-O 3.05Å; V15-L67 HydrophobicContact CB-CD2 3.62Å; V15-L67 HydrophobicContact CG1-CD2 4.27Å; V15-L67 HydrophobicContact CG2-CD2 3.63Å; V15-C68 PolarHBondContact O-N 2.91Å; V15-A86 WeakPolarHBondContact CA-O 3.14Å; V15-A86 HydrophobicContact CB-CB 4.35Å; V15-A86 HydrophobicContact CG1-CB 3.99Å; V15-A86 HydrophobicContact CG2-CB 4.17Å; V15-I88 HydrophobicContact CG1-CD1 3.59Å; V15-I88 HydrophobicContact CG1-CG1 3.79Å; V15-L173 HydrophobicContact CG1-CD2 4.15Å; V15-L173 HydrophobicContact CG2-CD2 3.93Å; V15-W178 HydrophobicContact CG2-CH2 3.61Å; V15-W178 HydrophobicContact CG2-CZ2 4.37Å; V15-W178 HydrophobicContact CG2-CZ3 4.22Å
16L98.7Very high85.2Confident0 Ų070.4 Ų70.40%036%0.363CS..EExtended strand (participates in β ladder)trans-80.2126.3172.7-169.4162.6000109T18 C68 V70 M76 I80 M84 A86 F87 I88 W105L16-T18 HydrophobicContact CD2-CG2 4.27Å; L16-C68 CarbonylContact C-O 3.59Å; L16-C68 WeakPolarHBondContact CA-O 3.43Å; L16-V70 HydrophobicContact CD1-CB 4.07Å; L16-V70 HydrophobicContact CD1-CG2 3.83Å; L16-V70 HydrophobicContact CD2-CB 3.97Å; L16-V70 HydrophobicContact CD2-CG2 4.26Å; L16-V70 HydrophobicContact CG-CB 3.95Å; L16-V70 HydrophobicContact CG-CG2 3.68Å; L16-M76 HydrophobicContact CD1-CE 4.33Å; L16-M76 HydrophobicContact CD1-SD 3.58Å; L16-M76 VanDerWaalsContact CD1-SD 3.58Å; L16-I80 HydrophobicContact CD1-CG2 3.88Å; L16-M84 HydrophobicContact CB-CG 4.04Å; L16-M84 HydrophobicContact CB-SD 3.89Å; L16-M84 HydrophobicContact CD1-SD 3.73Å; L16-M84 HydrophobicContact CG-SD 4.43Å; L16-A86 PolarHBondContact N-O 3.26Å; L16-F87 HydrophobicContact CB-CD2 4.06Å; L16-F87 HydrophobicContact CD1-CD2 4.32Å; L16-F87 HydrophobicContact CD1-CE2 4.45Å; L16-F87 HydrophobicContact CD2-CD2 3.67Å; L16-F87 HydrophobicContact CD2-CE2 3.52Å; L16-F87 HydrophobicContact CG-CD2 4.2Å; L16-F87 HydrophobicContact CG-CE2 4.42Å; L16-I88 PolarHBondContact O-N 3.02Å; L16-W105 HydrophobicContact CD1-CH2 3.96Å; L16-W105 HydrophobicContact CD1-CZ3 3.78Å; L16-W105 HydrophobicContact CD2-CH2 4.03Å; L16-W105 HydrophobicContact CD2-CZ3 4.27Å
17V98.8Very high87.7Confident1 Ų164.9 Ų64.91%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-115.8126.5175.9-170.90000108.8V15 E26 L29 I30 C68 V69 V70 I88V15-V17 HydrophobicContact CG1-CG2 4.35Å; V17-E26 HydrophobicContact CG1-CB 3.96Å; V17-E26 HydrophobicContact CG1-CG 4.11Å; V17-L29 HydrophobicContact CG1-CD2 4.35Å; V17-I30 HydrophobicContact CG2-CD1 4.41Å; V17-I30 HydrophobicContact CG2-CG1 4.34Å; V17-C68 PolarHBondContact N-O 3.31Å; V17-V69 WeakPolarHBondContact O-CA 3.18Å; V17-V70 PolarHBondContact O-N 2.75Å; V17-I88 WeakPolarHBondContact CA-O 3.29Å; V17-I88 HydrophobicContact CG2-CB 4.46Å
18T98.4Very high90.4Very high1 Ų161.3 Ų61.31%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-139.4154.7179.5-164.60000110.9L16 V70 F87 I88 A89 Y90 W105L16-T18 HydrophobicContact CD2-CG2 4.27Å; T18-V70 VanDerWaalsContact CB-O 3.23Å; T18-V70 WeakPolarHBondContact CB-O 3.46Å; T18-V70 PolarHBondContact OG1-O 3.25Å; T18-F87 HydrophobicContact CG2-CE2 3.97Å; T18-F87 HydrophobicContact CG2-CZ 3.67Å; T18-I88 PolarHBondContact N-O 3.33Å; T18-A89 HydrophobicContact CG2-CB 4.02Å; T18-A89 CarbonylContact O-C 3.56Å; T18-A89 WeakPolarHBondContact O-CA 3.47Å; T18-Y90 PolarHBondContact O-N 3.24Å; T18-W105 HydrophobicContact CG2-CZ2 4.21Å
19S97.4Very high92.7Very high15 Ų1556 Ų5611%0.10528%0.283CS..EExtended strand (participates in β ladder)trans-128.8140.8175-177.90000111.6D21 E26 Y90S19-D21 PolarHBondContact OG-N 3.47Å; S19-D21 PolarHBondContact OG-O 3Å; S19-E26 VanDerWaalsContact CB-OE1 3.26Å; S19-E26 WeakPolarHBondContact CB-OE1 3.16Å; S19-E26 PolarHBondContact N-OE1 3.47Å; S19-Y90 WeakPolarHBondContact OG-CD1 3.39Å
20T94.4Very high94.5Very high27 Ų2747.7 Ų47.717%0.16624%0.244CC..SBendtrans-92-5.6167.758.30000113.4Y90 F91 K101 L102T20-Y90 PolarHBondContact N-O 2.62Å; T20-Y90 PolarHBondContact OG1-O 3.08Å; T20-Y90 VanDerWaalsContact OG1-O 3.12Å; T20-F91 WeakPolarHBondContact OG1-CA 3.36Å; T20-K101 HydrophobicContact CG2-CB 3.55Å; T20-L102 HydrophobicContact CG2-CD2 3.37Å; T20-L102 HydrophobicContact CG2-CG 3.74Å
21D93.6Very high95.9Very high30 Ų3041.4 Ų41.416%0.1621%0.212CC..  trans-103.8125174178.913.7000110.1S19 E23 F24 Y90 D92S19-D21 PolarHBondContact OG-N 3.47Å; S19-D21 PolarHBondContact OG-O 3Å; D21-E23 VanDerWaalsContact C-N 3.3Å; D21-E23 PolarHBondContact OD1-N 3.44Å; D21-F24 HydrophobicContact CB-CB 4.03Å; D21-F24 PolarHBondContact OD2-N 3.36Å; D21-Y90 HydrophobicContact CB-CD1 4.08Å; D21-Y90 HydrophobicContact CB-CE1 3.87Å; D21-D92 HydrophobicContact CB-CB 3.97Å
22S89.6Confident96.4Very high123 Ų12342.3 Ų42.386%0.8622%0.215SC*.SBendtrans-73.6-18.5177.9550000114.2
23E92.6Very high96.5Very high167 Ų16739.9 Ų39.978%0.7820%0.202SC*.SBendtrans-85.2-26.7176.8-61.3-163.3158.900112.1D21D21-E23 VanDerWaalsContact C-N 3.3Å; D21-E23 PolarHBondContact OD1-N 3.44Å
24F95.4Very high96.5Very high34 Ų3441.4 Ų41.415%0.14921%0.21CC..SBendtrans-68.9136.5172.7-171.9-98.1000110.8D21 E26 L29 Y90 L148D21-F24 HydrophobicContact CB-CB 4.03Å; D21-F24 PolarHBondContact OD2-N 3.36Å; F24-E26 HydrophobicContact CD1-CG 4.46Å; F24-L29 HydrophobicContact CE1-CB 4.32Å; F24-L29 HydrophobicContact CZ-CB 3.91Å; F24-L29 HydrophobicContact CZ-CD2 4.22Å; F24-Y90 HydrophobicContact CB-CD1 3.68Å; F24-Y90 HydrophobicContact CB-CE1 3.63Å; F24-Y90 HydrophobicContact CB-CG 4.39Å; F24-Y90 AromaticContact CD1-CD1 3.8Å; F24-Y90 HydrophobicContact CD1-CD1 3.8Å; F24-Y90 HydrophobicContact CD1-CD2 4.17Å; F24-Y90 HydrophobicContact CD1-CE1 4.4Å; F24-Y90 AromaticContact CD1-CG 3.66Å; F24-Y90 HydrophobicContact CD1-CG 3.66Å; F24-Y90 AromaticContact CD2-CD1 3.83Å; F24-Y90 HydrophobicContact CD2-CD1 3.83Å; F24-Y90 AromaticContact CD2-CD2 3.72Å; F24-Y90 HydrophobicContact CD2-CD2 3.72Å; F24-Y90 AromaticContact CD2-CE1 3.64Å; F24-Y90 HydrophobicContact CD2-CE1 3.64Å; F24-Y90 AromaticContact CD2-CE2 3.5Å; F24-Y90 HydrophobicContact CD2-CE2 3.5Å; F24-Y90 VanDerWaalsContact CD2-CE2 3.5Å; F24-Y90 AromaticContact CD2-CG 3.87Å; F24-Y90 HydrophobicContact CD2-CG 3.87Å; F24-Y90 AromaticContact CD2-CZ 3.45Å; F24-Y90 VanDerWaalsContact CD2-CZ 3.45Å; F24-Y90 HydrophobicContact CE1-CD1 4.34Å; F24-Y90 AromaticContact CE1-CD2 3.91Å; F24-Y90 HydrophobicContact CE1-CD2 3.91Å; F24-Y90 AromaticContact CE1-CG 3.73Å; F24-Y90 HydrophobicContact CE1-CG 3.73Å; F24-Y90 HydrophobicContact CE2-CD1 4.39Å; F24-Y90 AromaticContact CE2-CD2 3.45Å; F24-Y90 HydrophobicContact CE2-CD2 3.45Å; F24-Y90 VanDerWaalsContact CE2-CD2 3.45Å; F24-Y90 HydrophobicContact CE2-CE1 4.36Å; F24-Y90 AromaticContact CE2-CE2 3.4Å; F24-Y90 HydrophobicContact CE2-CE2 3.4Å; F24-Y90 AromaticContact CE2-CG 3.96Å; F24-Y90 HydrophobicContact CE2-CG 3.96Å; F24-Y90 AromaticContact CE2-CZ 3.89Å; F24-Y90 AromaticContact CG-CD1 3.48Å; F24-Y90 HydrophobicContact CG-CD1 3.48Å; F24-Y90 VanDerWaalsContact CG-CD1 3.48Å; F24-Y90 HydrophobicContact CG-CD2 4.05Å; F24-Y90 AromaticContact CG-CE1 3.64Å; F24-Y90 HydrophobicContact CG-CE1 3.64Å; F24-Y90 HydrophobicContact CG-CE2 4.17Å; F24-Y90 AromaticContact CG-CG 3.71Å; F24-Y90 HydrophobicContact CG-CG 3.71Å; F24-Y90 AromaticContact CG-CZ 3.98Å; F24-Y90 AromaticContact CZ-CD2 3.53Å; F24-Y90 HydrophobicContact CZ-CD2 3.53Å; F24-Y90 AromaticContact CZ-CE2 3.99Å; F24-Y90 HydrophobicContact CZ-CE2 3.99Å; F24-Y90 AromaticContact CZ-CG 3.86Å; F24-Y90 HydrophobicContact CZ-CG 3.86Å; F24-L148 HydrophobicContact CE2-CD1 4.15Å; F24-L148 HydrophobicContact CZ-CD1 4.48Å
25K95.3Very high96.4Very high126 Ų12648.5 Ų48.555%0.54825%0.248SC..  trans-111107.7177.9-64.8-179.2-176.9176.30108.7E27 E28K25-E27 PolarHBondContact O-N 3.07Å; K25-E27 VanDerWaalsContact O-N 3.13Å; K25-E28 HydrophobicContact CB-CB 4.43Å; K25-E28 HydrophobicContact CB-CG 3.85Å; K25-E28 HydrophobicContact CD-CG 4.3Å; K25-E28 PolarHBondContact O-N 2.94Å
26E96.9Very high96.1Very high24 Ų2450.8 Ų50.811%0.11226%0.263CS..Hα-helixtrans-55-32.8178.1-61.692.6150.900111.3V17 S19 F24 E28 L29 I30 V69V17-E26 HydrophobicContact CG1-CB 3.96Å; V17-E26 HydrophobicContact CG1-CG 4.11Å; S19-E26 VanDerWaalsContact CB-OE1 3.26Å; S19-E26 WeakPolarHBondContact CB-OE1 3.16Å; S19-E26 PolarHBondContact N-OE1 3.47Å; F24-E26 HydrophobicContact CD1-CG 4.46Å; E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 2.73Å; E26-L29 PolarHBondContact O-N 3.07Å; E26-I30 WeakPolarHBondContact O-CG1 3.42Å; E26-I30 PolarHBondContact O-N 3.46Å; E26-V69 HydrophobicContact CB-CG1 3.86Å; E26-V69 HydrophobicContact CB-CG2 4.02Å; E26-V69 HydrophobicContact CG-CG1 4.12Å
27E96.3Very high95.8Very high58 Ų5857.1 Ų57.127%0.27130%0.302SS..Hα-helixtrans-60.6-33.4175.7-6692.4165.200113.9K25 I30 K31 L39K25-E27 PolarHBondContact O-N 3.07Å; K25-E27 VanDerWaalsContact O-N 3.13Å; E27-I30 PolarHBondContact O-N 2.97Å; E27-K31 WeakPolarHBondContact O-CG 3.24Å; E27-K31 PolarHBondContact O-N 3.41Å; E27-L39 HydrophobicContact CB-CD1 3.53Å; E27-L39 HydrophobicContact CG-CD1 3.64Å
28E96.4Very high95.6Very high80 Ų8061.5 Ų61.537%0.37433%0.329SS..Hα-helixtrans-73-33.1178-61.9-58.2152.600111.4K25 E26 K31 Q32K25-E28 HydrophobicContact CB-CB 4.43Å; K25-E28 HydrophobicContact CB-CG 3.85Å; K25-E28 HydrophobicContact CD-CG 4.3Å; K25-E28 PolarHBondContact O-N 2.94Å; E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 2.73Å; E28-K31 IonicContact OE1-NZ 2.58Å; E28-K31 PolarHBondContact OE1-NZ 3.35Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 IonicContact OE2-NZ 3.33Å; E28-K31 PolarHBondContact OE2-NZ 3.49Å; E28-Q32 WeakPolarHBondContact O-CG 3.37Å; E28-Q32 PolarHBondContact O-N 3.43Å; E28-Q32 PolarHBondContact O-NE2 3.16Å; E28-Q32 VanDerWaalsContact O-NE2 3.15Å
29L98Very high95.4Very high1 Ų163.6 Ų63.61%0.00534%0.34CS..Hα-helixtrans-67.8-44170.5179.460000110.7V17 F24 E26 K31 Q32 I33 I88 L148 V166 I169V17-L29 HydrophobicContact CG1-CD2 4.35Å; F24-L29 HydrophobicContact CE1-CB 4.32Å; F24-L29 HydrophobicContact CZ-CB 3.91Å; F24-L29 HydrophobicContact CZ-CD2 4.22Å; E26-L29 PolarHBondContact O-N 3.07Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.24Å; L29-Q32 WeakPolarHBondContact O-CB 3.4Å; L29-Q32 PolarHBondContact O-N 3.3Å; L29-I33 HydrophobicContact CD1-CD1 4.41Å; L29-I33 HydrophobicContact CD1-CG1 4.43Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 HydrophobicContact CG-CG1 4.46Å; L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 2.78Å; L29-I88 HydrophobicContact CD2-CG2 4.15Å; L29-L148 HydrophobicContact CD1-CD2 4.11Å; L29-V166 HydrophobicContact CD1-CG2 3.93Å; L29-I169 HydrophobicContact CD1-CD1 4.06Å
30I98.3Very high95.3Very high0 Ų065 Ų650%035%0.349CS..Hα-helixtrans-58.7-44.3176.9-73176.1000111.2V17 E26 E27 Q32 I33 L34 L39 Y52 L67 V69V17-I30 HydrophobicContact CG2-CD1 4.41Å; V17-I30 HydrophobicContact CG2-CG1 4.34Å; E26-I30 WeakPolarHBondContact O-CG1 3.42Å; E26-I30 PolarHBondContact O-N 3.46Å; E27-I30 PolarHBondContact O-N 2.97Å; I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 2.91Å; I30-I33 PolarHBondContact O-N 3.36Å; I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.17Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 VanDerWaalsContact O-CG 3.23Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 3.25Å; I30-L39 HydrophobicContact CB-CD2 4.1Å; I30-L39 HydrophobicContact CG2-CD2 3.46Å; I30-L39 VanDerWaalsContact CG2-CD2 3.46Å; I30-Y52 HydrophobicContact CD1-CD2 3.86Å; I30-Y52 HydrophobicContact CD1-CE2 4.2Å; I30-Y52 HydrophobicContact CG2-CD2 4.18Å; I30-Y52 HydrophobicContact CG2-CG 4.3Å; I30-L67 HydrophobicContact CB-CD1 4.46Å; I30-L67 HydrophobicContact CD1-CB 4.07Å; I30-L67 HydrophobicContact CG1-CB 4.27Å; I30-L67 HydrophobicContact CG1-CD1 4.37Å; I30-L67 HydrophobicContact CG2-CB 4.36Å; I30-L67 HydrophobicContact CG2-CD1 3.75Å; I30-V69 HydrophobicContact CD1-CG2 3.31Å
31K98Very high95.4Very high40 Ų4072.1 Ų72.117%0.17438%0.381CS..Hα-helixtrans-54.8-43.2174-77.4179.8-152.5164.50112.3E27 E28 L29 L34 N35 S36 L39E27-K31 WeakPolarHBondContact O-CG 3.24Å; E27-K31 PolarHBondContact O-N 3.41Å; E28-K31 IonicContact OE1-NZ 2.58Å; E28-K31 PolarHBondContact OE1-NZ 3.35Å; E28-K31 WeakPolarHBondContact OE2-CD 3.47Å; E28-K31 IonicContact OE2-NZ 3.33Å; E28-K31 PolarHBondContact OE2-NZ 3.49Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.24Å; K31-L34 PolarHBondContact O-N 3.43Å; K31-N35 PolarHBondContact O-N 2.81Å; K31-N35 VanDerWaalsContact O-N 3.1Å; K31-S36 WeakPolarHBondContact CB-O 3.39Å; K31-S36 PolarHBondContact O-N 3.14Å; K31-L39 HydrophobicContact CD-CG 4.42Å; K31-L39 HydrophobicContact CG-CD2 3.68Å; K31-L39 HydrophobicContact CG-CG 3.73Å
32Q97.7Very high95.5Very high103 Ų10373 Ų7348%0.48139%0.388SS..Hα-helixtrans-68.5-41.9178.9-66.2173.166.100111.8E28 L29 I30 L34 N35 V166E28-Q32 WeakPolarHBondContact O-CG 3.37Å; E28-Q32 PolarHBondContact O-N 3.43Å; E28-Q32 PolarHBondContact O-NE2 3.16Å; E28-Q32 VanDerWaalsContact O-NE2 3.15Å; L29-Q32 WeakPolarHBondContact O-CB 3.4Å; L29-Q32 PolarHBondContact O-N 3.3Å; I30-Q32 VanDerWaalsContact C-N 3.26Å; I30-Q32 PolarHBondContact O-N 2.91Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.49Å; Q32-N35 PolarHBondContact O-N 3.26Å; Q32-V166 HydrophobicContact CB-CB 4.37Å; Q32-V166 HydrophobicContact CB-CG1 3.88Å; Q32-V166 HydrophobicContact CB-CG2 3.92Å
33I98Very high95.7Very high5 Ų571 Ų713%0.02637%0.371CS..Hα-helixtrans-59.6-43.2174.5-68.3169.9000110.8L29 I30 N35 W54 L67 I88 V166 I169 I170 L173L29-I33 HydrophobicContact CD1-CD1 4.41Å; L29-I33 HydrophobicContact CD1-CG1 4.43Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 HydrophobicContact CG-CG1 4.46Å; L29-I33 WeakPolarHBondContact O-CG1 3.5Å; L29-I33 PolarHBondContact O-N 2.78Å; I30-I33 PolarHBondContact O-N 3.36Å; I33-N35 PolarHBondContact O-N 2.62Å; I33-W54 HydrophobicContact CG2-CH2 4.24Å; I33-W54 HydrophobicContact CG2-CZ2 4.24Å; I33-W54 HydrophobicContact CG2-CZ3 4.45Å; I33-L67 HydrophobicContact CG2-CD1 4.04Å; I33-I88 HydrophobicContact CD1-CD1 4.15Å; I33-V166 HydrophobicContact CG1-CG1 4.16Å; I33-I169 HydrophobicContact CD1-CG2 4.07Å; I33-I169 HydrophobicContact CG1-CG2 4.26Å; I33-I170 HydrophobicContact CG2-CG1 4.46Å; I33-L173 HydrophobicContact CG2-CD1 4.28Å
34L96.9Very high95.8Very high34 Ų3465.8 Ų65.818%0.17835%0.345CS..THydrogen-bonded Turntrans-73.7-5.4177.3-65.2178.3000113.4I30 K31 Q32 S36 L39 P40 W54 L67I30-L34 HydrophobicContact CG2-CD1 3.72Å; I30-L34 HydrophobicContact CG2-CG 4.17Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 VanDerWaalsContact O-CG 3.23Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 3.25Å; K31-L34 PolarHBondContact O-N 3.43Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.49Å; L34-S36 PolarHBondContact O-N 3.06Å; L34-L39 HydrophobicContact CD1-CD2 4.49Å; L34-P40 HydrophobicContact CD1-CG 3.83Å; L34-W54 HydrophobicContact CD2-CB 3.67Å; L34-W54 HydrophobicContact CD2-CD2 4.37Å; L34-W54 HydrophobicContact CD2-CG 3.5Å; L34-W54 VanDerWaalsContact CD2-CG 3.5Å; L34-L67 HydrophobicContact CD1-CD1 4.38Å; L34-L67 HydrophobicContact CD2-CD1 3.65Å; L34-L67 HydrophobicContact CG-CD1 3.84Å
35N95Very high95.8Very high150 Ų15072.1 Ų72.180%0.80237%0.368SS*.THydrogen-bonded Turntrans48.545.9-171.3-168.930.3000112.5K31 Q32 I33K31-N35 PolarHBondContact O-N 2.81Å; K31-N35 VanDerWaalsContact O-N 3.1Å; Q32-N35 PolarHBondContact O-N 3.26Å; I33-N35 PolarHBondContact O-N 2.62Å
36S93.6Very high95.7Very high47 Ų4770 Ų7033%0.32936%0.36SS..  trans-129143.8-175.4-1780000111.9K31 L34 T38K31-S36 WeakPolarHBondContact CB-O 3.39Å; K31-S36 PolarHBondContact O-N 3.14Å; L34-S36 PolarHBondContact O-N 3.06Å; S36-T38 VanDerWaalsContact C-N 3.29Å; S36-T38 WeakPolarHBondContact CB-O 3.23Å; S36-T38 PolarHBondContact OG-N 3.15Å; S36-T38 PolarHBondContact OG-O 3.28Å
37T91.2Very high95.5Very high133 Ų13376.4 Ų76.482%0.81639%0.39SS*.SBendtrans-76.5-18.7175.2560000113
38T94.1Very high95.4Very high94 Ų9477 Ų7758%0.57740%0.398SS*.SBendtrans-135.7149.217957.40000110.5S36S36-T38 VanDerWaalsContact C-N 3.29Å; S36-T38 WeakPolarHBondContact CB-O 3.23Å; S36-T38 PolarHBondContact OG-N 3.15Å; S36-T38 PolarHBondContact OG-O 3.28Å
39L95.1Very high95.4Very high44 Ų4473.5 Ų73.523%0.2338%0.382CS..PPolyproline II helixtrans-71.6140.7175-74.1171.2000110.5E27 I30 K31 L34 Y52E27-L39 HydrophobicContact CB-CD1 3.53Å; E27-L39 HydrophobicContact CG-CD1 3.64Å; I30-L39 HydrophobicContact CB-CD2 4.1Å; I30-L39 HydrophobicContact CG2-CD2 3.46Å; I30-L39 VanDerWaalsContact CG2-CD2 3.46Å; K31-L39 HydrophobicContact CD-CG 4.42Å; K31-L39 HydrophobicContact CG-CD2 3.68Å; K31-L39 HydrophobicContact CG-CG 3.73Å; L34-L39 HydrophobicContact CD1-CD2 4.49Å; L39-Y52 HydrophobicContact CB-CD1 4.23Å; L39-Y52 HydrophobicContact CB-CE1 3.82Å; L39-Y52 HydrophobicContact CD1-CE1 3.66Å; L39-Y52 HydrophobicContact CD1-CE2 4.35Å; L39-Y52 WeakPolarHBondContact CD1-OH 3.41Å; L39-Y52 HydrophobicContact CD2-CD1 4.17Å; L39-Y52 HydrophobicContact CD2-CE1 4.09Å; L39-Y52 HydrophobicContact CD2-CG 4.46Å; L39-Y52 HydrophobicContact CG-CE1 4.07Å
40P95.1Very high95.4Very high46 Ų4674 Ų7430%0.29939%0.385SS..PPolyproline II helixtrans-63166.4167.929-34.2000110.7L34 Y52 P53L34-P40 HydrophobicContact CD1-CG 3.83Å; P40-Y52 HydrophobicContact CG-CD1 4.22Å; P40-P53 HydrophobicContact CB-CG 4.27Å; P40-P53 HydrophobicContact CG-CG 4.27Å
41Q95.8Very high95.4Very high176 Ų17674.1 Ų74.182%0.82239%0.386SS*.PPolyproline II helixtrans-60.5131.7170-73.3-164.11.100109.4T43 P53Q41-T43 PolarHBondContact O-N 2.9Å; Q41-P53 WeakPolarHBondContact O-CD 3.33Å
42P96.6Very high95.4Very high47 Ų4772.7 Ų72.731%0.30538%0.379SS..PPolyproline II helixtrans-58.1134.5174.8-23.432.4000110.9K44 V50 W51 Y52P42-K44 PolarHBondContact O-N 2.81Å; P42-V50 HydrophobicContact CB-CG1 3.65Å; P42-V50 HydrophobicContact CG-CG1 3.65Å; P42-W51 CarbonylContact C-O 3.58Å; P42-W51 WeakPolarHBondContact CA-O 3.37Å; P42-W51 WeakPolarHBondContact CB-O 3.24Å; P42-Y52 HydrophobicContact CB-CE1 4.44Å; P42-Y52 HydrophobicContact CG-CD1 4.32Å; P42-Y52 HydrophobicContact CG-CE1 3.78Å
43T94.4Very high95.4Very high82 Ų8270.4 Ų70.450%0.50337%0.374SS..SBendtrans-64-35.3171.3-45.10000110.3Q41 W51 P53Q41-T43 PolarHBondContact O-N 2.9Å; T43-W51 PolarHBondContact N-O 2.98Å; T43-P53 VanDerWaalsContact OG1-CD 3.31Å; T43-P53 WeakPolarHBondContact OG1-CD 2.81Å
44K94.1Very high95.4Very high58 Ų5871.6 Ų71.625%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-150.5150.9-177-169173.9179.5-177.50110.2P42 E46 W51 E79P42-K44 PolarHBondContact O-N 2.81Å; K44-E46 WeakPolarHBondContact CE-OE1 3.37Å; K44-E46 HydrophobicContact CG-CG 4.43Å; K44-E46 IonicContact NZ-OE1 2.63Å; K44-E46 PolarHBondContact NZ-OE1 2.93Å; K44-W51 HydrophobicContact CB-CB 4.18Å; K44-W51 HydrophobicContact CB-CD2 4.09Å; K44-W51 HydrophobicContact CB-CE3 3.79Å; K44-W51 HydrophobicContact CB-CG 4.31Å; K44-W51 HydrophobicContact CB-CZ3 4.45Å; K44-W51 HydrophobicContact CD-CD2 4.48Å; K44-W51 HydrophobicContact CD-CE3 4.3Å; K44-W51 HydrophobicContact CD-CZ3 4.33Å; K44-W51 HydrophobicContact CG-CD2 4.45Å; K44-W51 HydrophobicContact CG-CE3 3.92Å; K44-W51 HydrophobicContact CG-CZ3 4.08Å; K44-W51 PolarHBondContact O-N 3.19Å; K44-E79 IonicContact NZ-OE1 2.62Å; K44-E79 PolarHBondContact NZ-OE1 3.07Å; K44-E79 IonicContact NZ-OE2 2.68Å; K44-E79 PolarHBondContact NZ-OE2 3.16Å
45R95.2Very high95.4Very high167 Ų16773.7 Ų73.763%0.6339%0.392SS*.EExtended strand (participates in β ladder)trans-144.4126.7170.7179.9177.6-70.6178.2-3.6109.6V49 V50R45-V49 WeakPolarHBondContact CA-O 3.38Å; R45-V50 HydrophobicContact CG-CG2 4.28Å
46E93.9Very high95.5Very high82 Ų8266.6 Ų66.638%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-133.4111.4177.7-67.7-172.5164.400108.8K44 T48 V49 W51K44-E46 WeakPolarHBondContact CE-OE1 3.37Å; K44-E46 HydrophobicContact CG-CG 4.43Å; K44-E46 IonicContact NZ-OE1 2.63Å; K44-E46 PolarHBondContact NZ-OE1 2.93Å; E46-T48 PolarHBondContact O-N 2.87Å; E46-V49 PolarHBondContact N-O 2.96Å; E46-V49 PolarHBondContact O-N 3.2Å; E46-W51 HydrophobicContact CB-CH2 4.04Å; E46-W51 HydrophobicContact CB-CZ3 3.89Å; E46-W51 HydrophobicContact CG-CH2 4.14Å; E46-W51 HydrophobicContact CG-CZ3 4Å
47E91.9Very high95.5Very high157 Ų15769.3 Ų69.373%0.73437%0.365SS*.THydrogen-bonded Turntrans52.1-105.5-175.1-55.4-176.7166.400112.3K75E47-K75 IonicContact OE2-NZ 2.62Å; E47-K75 PolarHBondContact OE2-NZ 3.01Å
48T93.3Very high95.5Very high72 Ų7264.3 Ų64.344%0.44233%0.333SS..THydrogen-bonded Turntrans-104-0.9179.760.80000113.1E46 K75E46-T48 PolarHBondContact O-N 2.87Å; T48-K75 WeakPolarHBondContact OG1-CE 3.45Å
49V97.4Very high95.2Very high6 Ų664 Ų644%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-93.7133.5177-172.60000109.3R45 E46 W51 C68 V69 V70 K75 I80R45-V49 WeakPolarHBondContact CA-O 3.38Å; E46-V49 PolarHBondContact N-O 2.96Å; E46-V49 PolarHBondContact O-N 3.2Å; V49-W51 HydrophobicContact CB-CE3 4.46Å; V49-W51 HydrophobicContact CB-CH2 3.65Å; V49-W51 HydrophobicContact CB-CZ2 4.42Å; V49-W51 HydrophobicContact CB-CZ3 3.67Å; V49-W51 HydrophobicContact CG1-CD2 4.17Å; V49-W51 HydrophobicContact CG1-CE3 3.88Å; V49-W51 HydrophobicContact CG1-CH2 3.2Å; V49-W51 HydrophobicContact CG1-CZ2 3.5Å; V49-W51 HydrophobicContact CG1-CZ3 3.4Å; V49-W51 WeakPolarHBondContact O-CZ3 3.49Å; V49-C68 VanDerWaalsContact CG1-SG 3.52Å; V49-V69 WeakPolarHBondContact CA-O 3.35Å; V49-V69 WeakPolarHBondContact CG1-O 3.35Å; V49-V70 HydrophobicContact CG1-CG2 3.99Å; V49-V70 HydrophobicContact CG2-CG1 4.47Å; V49-K75 HydrophobicContact CG2-CB 3.71Å; V49-K75 HydrophobicContact CG2-CG 4.39Å; V49-I80 HydrophobicContact CG1-CD1 4.01Å; V49-I80 HydrophobicContact CG2-CD1 4.48Å
50V97.8Very high94.7Very high12 Ų1265.8 Ų65.87%0.07333%0.328CS..EExtended strand (participates in β ladder)trans-135.1132.7-176.5-165.90000109.8P42 R45 Y52 C68 V69P42-V50 HydrophobicContact CB-CG1 3.65Å; P42-V50 HydrophobicContact CG-CG1 3.65Å; R45-V50 HydrophobicContact CG-CG2 4.28Å; V50-Y52 HydrophobicContact CB-CE2 4.01Å; V50-Y52 HydrophobicContact CG1-CD2 4.4Å; V50-Y52 HydrophobicContact CG1-CE1 4.2Å; V50-Y52 HydrophobicContact CG1-CE2 3.65Å; V50-C68 WeakPolarHBondContact O-CA 3.35Å; V50-V69 PolarHBondContact N-O 2.94Å; V50-V69 PolarHBondContact O-N 2.92Å
51W97.8Very high94.6Very high1 Ų163.9 Ų63.90%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-112.4126.9179.4-66.5-107000110.1P42 T43 K44 E46 V49 L67 C68 I80P42-W51 CarbonylContact C-O 3.58Å; P42-W51 WeakPolarHBondContact CA-O 3.37Å; P42-W51 WeakPolarHBondContact CB-O 3.24Å; T43-W51 PolarHBondContact N-O 2.98Å; K44-W51 HydrophobicContact CB-CB 4.18Å; K44-W51 HydrophobicContact CB-CD2 4.09Å; K44-W51 HydrophobicContact CB-CE3 3.79Å; K44-W51 HydrophobicContact CB-CG 4.31Å; K44-W51 HydrophobicContact CB-CZ3 4.45Å; K44-W51 HydrophobicContact CD-CD2 4.48Å; K44-W51 HydrophobicContact CD-CE3 4.3Å; K44-W51 HydrophobicContact CD-CZ3 4.33Å; K44-W51 HydrophobicContact CG-CD2 4.45Å; K44-W51 HydrophobicContact CG-CE3 3.92Å; K44-W51 HydrophobicContact CG-CZ3 4.08Å; K44-W51 PolarHBondContact O-N 3.19Å; E46-W51 HydrophobicContact CB-CH2 4.04Å; E46-W51 HydrophobicContact CB-CZ3 3.89Å; E46-W51 HydrophobicContact CG-CH2 4.14Å; E46-W51 HydrophobicContact CG-CZ3 4Å; V49-W51 HydrophobicContact CB-CE3 4.46Å; V49-W51 HydrophobicContact CB-CH2 3.65Å; V49-W51 HydrophobicContact CB-CZ2 4.42Å; V49-W51 HydrophobicContact CB-CZ3 3.67Å; V49-W51 HydrophobicContact CG1-CD2 4.17Å; V49-W51 HydrophobicContact CG1-CE3 3.88Å; V49-W51 HydrophobicContact CG1-CH2 3.2Å; V49-W51 HydrophobicContact CG1-CZ2 3.5Å; V49-W51 HydrophobicContact CG1-CZ3 3.4Å; V49-W51 WeakPolarHBondContact O-CZ3 3.49Å; W51-L67 CarbonylContact C-O 3.59Å; W51-L67 WeakPolarHBondContact CA-O 3.39Å; W51-C68 HydrophobicContact CG-CB 4.35Å; W51-C68 PolarHBondContact NE1-SG 3.28Å; W51-I80 HydrophobicContact CH2-CD1 4.43Å; W51-I80 HydrophobicContact CZ2-CD1 3.9Å; W51-I80 HydrophobicContact CZ2-CG1 3.7Å
52Y98.1Very high94.6Very high10 Ų1057.2 Ų57.24%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-109.6134.2175.5-61.2-83.1000110I30 L39 P40 P42 V50 Q66 L67 V69I30-Y52 HydrophobicContact CD1-CD2 3.86Å; I30-Y52 HydrophobicContact CD1-CE2 4.2Å; I30-Y52 HydrophobicContact CG2-CD2 4.18Å; I30-Y52 HydrophobicContact CG2-CG 4.3Å; L39-Y52 HydrophobicContact CB-CD1 4.23Å; L39-Y52 HydrophobicContact CB-CE1 3.82Å; L39-Y52 HydrophobicContact CD1-CE1 3.66Å; L39-Y52 HydrophobicContact CD1-CE2 4.35Å; L39-Y52 WeakPolarHBondContact CD1-OH 3.41Å; L39-Y52 HydrophobicContact CD2-CD1 4.17Å; L39-Y52 HydrophobicContact CD2-CE1 4.09Å; L39-Y52 HydrophobicContact CD2-CG 4.46Å; L39-Y52 HydrophobicContact CG-CE1 4.07Å; P40-Y52 HydrophobicContact CG-CD1 4.22Å; P42-Y52 HydrophobicContact CB-CE1 4.44Å; P42-Y52 HydrophobicContact CG-CD1 4.32Å; P42-Y52 HydrophobicContact CG-CE1 3.78Å; V50-Y52 HydrophobicContact CB-CE2 4.01Å; V50-Y52 HydrophobicContact CG1-CD2 4.4Å; V50-Y52 HydrophobicContact CG1-CE1 4.2Å; V50-Y52 HydrophobicContact CG1-CE2 3.65Å; Y52-Q66 WeakPolarHBondContact O-CA 3.48Å; Y52-L67 PolarHBondContact N-O 2.89Å; Y52-L67 PolarHBondContact O-N 3.48Å; Y52-V69 HydrophobicContact CE2-CG2 4.18Å
53P97.8Very high94.6Very high56 Ų5655 Ų5536%0.36427%0.272SS..EExtended strand (participates in β ladder)trans-71.2139.917729.8-32.7000110.3P40 Q41 T43P40-P53 HydrophobicContact CB-CG 4.27Å; P40-P53 HydrophobicContact CG-CG 4.27Å; Q41-P53 WeakPolarHBondContact O-CD 3.33Å; T43-P53 VanDerWaalsContact OG1-CD 3.31Å; T43-P53 WeakPolarHBondContact OG1-CD 2.81Å
54W97.8Very high94.7Very high30 Ų3055 Ų5511%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-140.9121.6171.3-175.834.7000110.5I33 L34 I56 V65 L67 L173I33-W54 HydrophobicContact CG2-CH2 4.24Å; I33-W54 HydrophobicContact CG2-CZ2 4.24Å; I33-W54 HydrophobicContact CG2-CZ3 4.45Å; L34-W54 HydrophobicContact CD2-CB 3.67Å; L34-W54 HydrophobicContact CD2-CD2 4.37Å; L34-W54 HydrophobicContact CD2-CG 3.5Å; L34-W54 VanDerWaalsContact CD2-CG 3.5Å; W54-I56 HydrophobicContact CD2-CG1 3.92Å; W54-I56 HydrophobicContact CE3-CD1 4.06Å; W54-I56 HydrophobicContact CE3-CG1 3.84Å; W54-I56 HydrophobicContact CH2-CD1 3.75Å; W54-I56 HydrophobicContact CH2-CG1 3.64Å; W54-I56 HydrophobicContact CZ2-CD1 4.34Å; W54-I56 HydrophobicContact CZ2-CG1 3.71Å; W54-I56 HydrophobicContact CZ3-CD1 3.58Å; W54-I56 HydrophobicContact CZ3-CG1 3.7Å; W54-V65 CarbonylContact C-O 3.58Å; W54-V65 HydrophobicContact CE3-CB 4.32Å; W54-V65 HydrophobicContact CE3-CG1 4.44Å; W54-V65 PolarHBondContact N-O 3.47Å; W54-V65 CarbonylContact O-C 3.6Å; W54-V65 PolarHBondContact O-N 3.23Å; W54-L67 HydrophobicContact CB-CD1 4.27Å; W54-L67 HydrophobicContact CB-CG 4.18Å; W54-L67 HydrophobicContact CE3-CD2 3.93Å; W54-L67 HydrophobicContact CE3-CG 4.41Å; W54-L67 HydrophobicContact CG-CD1 4.48Å; W54-L67 HydrophobicContact CZ3-CD2 4.46Å; W54-L173 HydrophobicContact CH2-CB 3.78Å; W54-L173 HydrophobicContact CH2-CD1 3.9Å; W54-L173 HydrophobicContact CZ3-CB 3.96Å; W54-L173 HydrophobicContact CZ3-CD1 3.78Å; W54-L173 HydrophobicContact CZ3-CG 4.43Å
55T97.1Very high94.9Very high77 Ų7752.3 Ų52.347%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-98.7112.9170.9-56.40000108.5A63 D64T55-A63 CarbonylContact C-O 3.6Å; T55-A63 WeakPolarHBondContact CA-O 3.2Å; T55-D64 WeakPolarHBondContact CB-OD1 3.34Å; T55-D64 WeakPolarHBondContact CG2-OD1 3.5Å; T55-D64 PolarHBondContact OG1-OD1 2.62Å
56I96.6Very high95Very high2 Ų245.4 Ų45.41%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-74.4129166.7-62.1173.4000107W54 Y61 T62 A63 V65 N174 W178W54-I56 HydrophobicContact CD2-CG1 3.92Å; W54-I56 HydrophobicContact CE3-CD1 4.06Å; W54-I56 HydrophobicContact CE3-CG1 3.84Å; W54-I56 HydrophobicContact CH2-CD1 3.75Å; W54-I56 HydrophobicContact CH2-CG1 3.64Å; W54-I56 HydrophobicContact CZ2-CD1 4.34Å; W54-I56 HydrophobicContact CZ2-CG1 3.71Å; W54-I56 HydrophobicContact CZ3-CD1 3.58Å; W54-I56 HydrophobicContact CZ3-CG1 3.7Å; I56-Y61 HydrophobicContact CB-CE2 4.2Å; I56-Y61 HydrophobicContact CG2-CD2 4.46Å; I56-Y61 HydrophobicContact CG2-CE2 3.59Å; I56-T62 CarbonylContact O-C 3.46Å; I56-T62 WeakPolarHBondContact O-CA 3.46Å; I56-A63 HydrophobicContact CB-CB 4.4Å; I56-A63 PolarHBondContact N-O 3.18Å; I56-A63 PolarHBondContact O-N 2.85Å; I56-V65 HydrophobicContact CD1-CG2 3.85Å; I56-V65 HydrophobicContact CG1-CG2 4.32Å; I56-N174 WeakPolarHBondContact CG2-OD1 3.43Å; I56-W178 HydrophobicContact CD1-CD2 4.39Å; I56-W178 HydrophobicContact CD1-CG 4.39Å; I56-W178 HydrophobicContact CD1-CZ2 4.18Å
57N95Very high95.2Very high104 Ų10441.5 Ų41.556%0.55621%0.214SC*.EExtended strand (participates in β ladder)trans-144.791.5-179.1-176.6-0.8000108.3T62 K184N57-T62 HydrophobicContact CB-CG2 4.13Å; N57-K184 VanDerWaalsContact OD1-CE 3.3Å; N57-K184 WeakPolarHBondContact OD1-CE 3.49Å; N57-K184 PolarHBondContact OD1-NZ 3.15Å
58N90.9Very high95.6Very high28 Ų2834 Ų3415%0.1518%0.179CC..  trans-112.2-172-177.366.439.2000111.2Y60 Y61 N174 K184N58-Y60 PolarHBondContact O-N 2.8Å; N58-Y60 PolarHBondContact OD1-N 2.8Å; N58-Y61 PolarHBondContact N-O 3.16Å; N58-Y61 WeakPolarHBondContact ND2-CD1 3.19Å; N58-Y61 WeakPolarHBondContact ND2-CE1 3.12Å; N58-Y61 PolarHBondContact OD1-N 3.16Å; N58-Y61 PolarHBondContact OD1-O 2.6Å; N58-N174 PolarHBondContact ND2-OD1 3.34Å; N58-K184 WeakPolarHBondContact O-CE 3.39Å; N58-K184 PolarHBondContact O-NZ 3.12Å
59K87.6Confident95.8Very high88 Ų8830.8 Ų30.838%0.38316%0.159SC..SBendtrans-58.3-32.1-178.8-174.8177.6177.5-176.20112.3H187 E311K59-H187 WeakPolarHBondContact CE-NE2 3.23Å; K59-H187 WeakPolarHBondContact CG-NE2 3.45Å; K59-E311 IonicContact NZ-OE1 2.67Å; K59-E311 PolarHBondContact NZ-OE1 3.23Å
60Y85.7Confident95.8Very high80 Ų8030.5 Ų30.531%0.31416%0.158SC..SBendtrans-100-42-167-51.1-75.2000113.1N58 K184 F191N58-Y60 PolarHBondContact O-N 2.8Å; N58-Y60 PolarHBondContact OD1-N 2.8Å; Y60-K184 PolarHBondContact O-N 2.88Å; Y60-F191 HydrophobicContact CD1-CD2 4.22Å; Y60-F191 HydrophobicContact CD1-CE2 4.25Å; Y60-F191 HydrophobicContact CE1-CD1 4.49Å; Y60-F191 HydrophobicContact CE1-CD2 4.15Å; Y60-F191 HydrophobicContact CE1-CE1 4.1Å; Y60-F191 AromaticContact CE1-CE2 3.75Å; Y60-F191 HydrophobicContact CE1-CE2 3.75Å; Y60-F191 AromaticContact CE1-CZ 3.72Å; Y60-F191 HydrophobicContact CE1-CZ 3.72Å
61Y92.4Very high95.7Very high7 Ų732.6 Ų32.63%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-145.8165.7-171.171.3-102.7000113.5I56 N58 A63 N174 N176 V181 E182I56-Y61 HydrophobicContact CB-CE2 4.2Å; I56-Y61 HydrophobicContact CG2-CD2 4.46Å; I56-Y61 HydrophobicContact CG2-CE2 3.59Å; N58-Y61 PolarHBondContact N-O 3.16Å; N58-Y61 WeakPolarHBondContact ND2-CD1 3.19Å; N58-Y61 WeakPolarHBondContact ND2-CE1 3.12Å; N58-Y61 PolarHBondContact OD1-N 3.16Å; N58-Y61 PolarHBondContact OD1-O 2.6Å; Y61-A63 HydrophobicContact CD2-CB 3.97Å; Y61-A63 HydrophobicContact CE2-CB 3.76Å; Y61-N174 PolarHBondContact OH-O 3.01Å; Y61-N176 PolarHBondContact OH-O 3.45Å; Y61-V181 HydrophobicContact CD1-CG2 4.09Å; Y61-V181 HydrophobicContact CD2-CG2 3.51Å; Y61-V181 HydrophobicContact CE2-CG2 4.19Å; Y61-V181 HydrophobicContact CG-CG2 3.45Å; Y61-V181 VanDerWaalsContact CG-CG2 3.45Å; Y61-E182 CarbonylContact C-O 2.98Å; Y61-E182 VanDerWaalsContact CA-O 3.28Å; Y61-E182 WeakPolarHBondContact CA-O 3.48Å; Y61-E182 WeakPolarHBondContact CB-O 3.37Å
62T95.6Very high95.5Very high35 Ų3534.4 Ų34.422%0.21518%0.184CC..EExtended strand (participates in β ladder)trans-113.3144.9160.845.40000110.3I56 N57 V181 E182I56-T62 CarbonylContact O-C 3.46Å; I56-T62 WeakPolarHBondContact O-CA 3.46Å; N57-T62 HydrophobicContact CB-CG2 4.13Å; T62-V181 CarbonylContact O-C 3.47Å; T62-V181 WeakPolarHBondContact O-CA 3.42Å; T62-E182 PolarHBondContact N-O 2.97Å; T62-E182 PolarHBondContact O-N 2.92Å
63A96.4Very high95.5Very high2 Ų235.3 Ų35.32%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-149.6132174.100000110.3T55 I56 Y61 V65 W178T55-A63 CarbonylContact C-O 3.6Å; T55-A63 WeakPolarHBondContact CA-O 3.2Å; I56-A63 HydrophobicContact CB-CB 4.4Å; I56-A63 PolarHBondContact N-O 3.18Å; I56-A63 PolarHBondContact O-N 2.85Å; Y61-A63 HydrophobicContact CD2-CB 3.97Å; Y61-A63 HydrophobicContact CE2-CB 3.76Å; A63-V65 HydrophobicContact CB-CG2 4.31Å; A63-W178 HydrophobicContact CB-CB 3.83Å; A63-W178 HydrophobicContact CB-CG 4.13Å
64D97.5Very high95.4Very high80 Ų8042.7 Ų42.743%0.42821%0.213SC..EExtended strand (participates in β ladder)trans-89.3119.3172.8-75.4-28.5000110.1L12 P13 T55 S180L12-D64 HydrophobicContact CD1-CB 4.41Å; L12-D64 HydrophobicContact CD2-CB 4.02Å; P13-D64 WeakPolarHBondContact CD-O 3.33Å; T55-D64 WeakPolarHBondContact CB-OD1 3.34Å; T55-D64 WeakPolarHBondContact CG2-OD1 3.5Å; T55-D64 PolarHBondContact OG1-OD1 2.62Å; D64-S180 PolarHBondContact N-OG 2.92Å; D64-S180 VanDerWaalsContact O-CB 3.31Å; D64-S180 WeakPolarHBondContact O-CB 3.34Å; D64-S180 PolarHBondContact O-OG 3.04Å
65V97.6Very high95.3Very high2 Ų244.5 Ų44.51%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-128.4153-174.3-173.60000108.9P13 V15 W54 I56 A63 W178P13-V65 HydrophobicContact CG-CG2 4.35Å; P13-V65 CarbonylContact O-C 3.56Å; P13-V65 WeakPolarHBondContact O-CA 3.04Å; P13-V65 WeakPolarHBondContact O-CG1 3.23Å; V15-V65 HydrophobicContact CG2-CG1 3.9Å; W54-V65 CarbonylContact C-O 3.58Å; W54-V65 HydrophobicContact CE3-CB 4.32Å; W54-V65 HydrophobicContact CE3-CG1 4.44Å; W54-V65 PolarHBondContact N-O 3.47Å; W54-V65 CarbonylContact O-C 3.6Å; W54-V65 PolarHBondContact O-N 3.23Å; I56-V65 HydrophobicContact CD1-CG2 3.85Å; I56-V65 HydrophobicContact CG1-CG2 4.32Å; A63-V65 HydrophobicContact CB-CG2 4.31Å; V65-W178 HydrophobicContact CG1-CD2 4.4Å; V65-W178 HydrophobicContact CG1-CE3 3.93Å; V65-W178 HydrophobicContact CG1-CH2 4.11Å; V65-W178 HydrophobicContact CG1-CZ3 3.75Å; V65-W178 HydrophobicContact CG2-CB 4.41Å; V65-W178 HydrophobicContact CG2-CD2 3.63Å; V65-W178 HydrophobicContact CG2-CE3 3.84Å; V65-W178 HydrophobicContact CG2-CG 3.87Å; V65-W178 HydrophobicContact CG2-CZ3 4.45Å
66Q97.8Very high95.2Very high23 Ų2343 Ų4311%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-109.1134172.8-63.1-174-16.700111.1L12 P13 C14 V15 Y52L12-Q66 HydrophobicContact CB-CG 4.01Å; L12-Q66 HydrophobicContact CD1-CG 4.22Å; P13-Q66 PolarHBondContact O-N 2.98Å; C14-Q66 CarbonylContact C-O 3.47Å; C14-Q66 WeakPolarHBondContact CA-O 3.35Å; C14-Q66 HydrophobicContact CB-CB 4Å; C14-Q66 WeakPolarHBondContact CB-O 3.44Å; V15-Q66 PolarHBondContact N-O 3.05Å; Y52-Q66 WeakPolarHBondContact O-CA 3.48Å
67L98.4Very high95.1Very high0 Ų044.6 Ų44.60%022%0.221CC..EExtended strand (participates in β ladder)trans-93.1110.4167.5-58.6175.6000107.8V15 I30 I33 L34 W51 Y52 W54V15-L67 HydrophobicContact CB-CD2 3.62Å; V15-L67 HydrophobicContact CG1-CD2 4.27Å; V15-L67 HydrophobicContact CG2-CD2 3.63Å; I30-L67 HydrophobicContact CB-CD1 4.46Å; I30-L67 HydrophobicContact CD1-CB 4.07Å; I30-L67 HydrophobicContact CG1-CB 4.27Å; I30-L67 HydrophobicContact CG1-CD1 4.37Å; I30-L67 HydrophobicContact CG2-CB 4.36Å; I30-L67 HydrophobicContact CG2-CD1 3.75Å; I33-L67 HydrophobicContact CG2-CD1 4.04Å; L34-L67 HydrophobicContact CD1-CD1 4.38Å; L34-L67 HydrophobicContact CD2-CD1 3.65Å; L34-L67 HydrophobicContact CG-CD1 3.84Å; W51-L67 CarbonylContact C-O 3.59Å; W51-L67 WeakPolarHBondContact CA-O 3.39Å; Y52-L67 PolarHBondContact N-O 2.89Å; Y52-L67 PolarHBondContact O-N 3.48Å; W54-L67 HydrophobicContact CB-CD1 4.27Å; W54-L67 HydrophobicContact CB-CG 4.18Å; W54-L67 HydrophobicContact CE3-CD2 3.93Å; W54-L67 HydrophobicContact CE3-CG 4.41Å; W54-L67 HydrophobicContact CG-CD1 4.48Å; W54-L67 HydrophobicContact CZ3-CD2 4.46Å
68C98.3Very high95.1Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-108.6112.2-171.7-173.90000110.8C14 V15 L16 V17 V49 V50 W51 V70C14-C68 HydrophobicContact CB-CB 4.27Å; V15-C68 PolarHBondContact O-N 2.91Å; L16-C68 CarbonylContact C-O 3.59Å; L16-C68 WeakPolarHBondContact CA-O 3.43Å; V17-C68 PolarHBondContact N-O 3.31Å; V49-C68 VanDerWaalsContact CG1-SG 3.52Å; V50-C68 WeakPolarHBondContact O-CA 3.35Å; W51-C68 HydrophobicContact CG-CB 4.35Å; W51-C68 PolarHBondContact NE1-SG 3.28Å; C68-V70 PolarHBondContact O-N 3.31Å; C68-V70 WeakPolarHBondContact SG-CG2 3.48Å
69V98.3Very high95.3Very high4 Ų444.6 Ų44.62%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-81.4113.9174.7-179.40000109.2V17 E26 I30 V49 V50 Y52V17-V69 WeakPolarHBondContact O-CA 3.18Å; E26-V69 HydrophobicContact CB-CG1 3.86Å; E26-V69 HydrophobicContact CB-CG2 4.02Å; E26-V69 HydrophobicContact CG-CG1 4.12Å; I30-V69 HydrophobicContact CD1-CG2 3.31Å; V49-V69 WeakPolarHBondContact CA-O 3.35Å; V49-V69 WeakPolarHBondContact CG1-O 3.35Å; V50-V69 PolarHBondContact N-O 2.94Å; V50-V69 PolarHBondContact O-N 2.92Å; Y52-V69 HydrophobicContact CE2-CG2 4.18Å
70V97.7Very high95.7Very high0 Ų040.4 Ų40.40%021%0.21CC..  trans-122.7103.1179.7-170.40000109.4L16 V17 T18 V49 C68 S72 K75 M76 I80 W105L16-V70 HydrophobicContact CD1-CB 4.07Å; L16-V70 HydrophobicContact CD1-CG2 3.83Å; L16-V70 HydrophobicContact CD2-CB 3.97Å; L16-V70 HydrophobicContact CD2-CG2 4.26Å; L16-V70 HydrophobicContact CG-CB 3.95Å; L16-V70 HydrophobicContact CG-CG2 3.68Å; V17-V70 PolarHBondContact O-N 2.75Å; T18-V70 VanDerWaalsContact CB-O 3.23Å; T18-V70 WeakPolarHBondContact CB-O 3.46Å; T18-V70 PolarHBondContact OG1-O 3.25Å; V49-V70 HydrophobicContact CG1-CG2 3.99Å; V49-V70 HydrophobicContact CG2-CG1 4.47Å; C68-V70 PolarHBondContact O-N 3.31Å; C68-V70 WeakPolarHBondContact SG-CG2 3.48Å; V70-S72 WeakPolarHBondContact CG1-O 3.36Å; V70-S72 PolarHBondContact O-N 3.14Å; V70-K75 HydrophobicContact CG1-CB 3.94Å; V70-M76 HydrophobicContact CG1-SD 4.32Å; V70-I80 HydrophobicContact CG2-CD1 4.07Å; V70-I80 HydrophobicContact CG2-CG2 4.24Å; V70-W105 HydrophobicContact CB-CH2 4.1Å; V70-W105 HydrophobicContact CG1-CH2 3.73Å; V70-W105 HydrophobicContact CG1-CZ2 4.34Å
71P95.1Very high96.2Very high55 Ų5538 Ų3836%0.35721%0.207SC..  trans-68.1-18.5-172.1-24.734.8000115.2
72S95.2Very high96.4Very high39 Ų3944.3 Ų44.327%0.27324%0.237SC..  trans-164.5154-175.9-177.60000111.6V70 Y74 K75 W105V70-S72 WeakPolarHBondContact CG1-O 3.36Å; V70-S72 PolarHBondContact O-N 3.14Å; S72-Y74 PolarHBondContact O-N 3.04Å; S72-Y74 VanDerWaalsContact O-N 3.14Å; S72-Y74 VanDerWaalsContact OG-CD2 3.24Å; S72-Y74 WeakPolarHBondContact OG-CD2 3.36Å; S72-Y74 PolarHBondContact OG-N 3.03Å; S72-K75 WeakPolarHBondContact O-CB 3.13Å; S72-K75 PolarHBondContact O-N 3.33Å; S72-W105 VanDerWaalsContact C-CZ2 3.43Å
73T96.4Very high96.4Very high29 Ų2942.9 Ų42.918%0.17823%0.228CC..G310 helixtrans-56.8-26.6173.453.80000113.4K75 M76 P104 W105 V108T73-K75 PolarHBondContact O-N 3.4Å; T73-K75 VanDerWaalsContact O-N 3.15Å; T73-M76 VanDerWaalsContact O-CB 3.29Å; T73-M76 WeakPolarHBondContact O-CB 3.45Å; T73-M76 WeakPolarHBondContact O-CG 3.45Å; T73-M76 PolarHBondContact O-N 3.46Å; T73-P104 HydrophobicContact CG2-CB 4.09Å; T73-P104 WeakPolarHBondContact CG2-O 3.42Å; T73-W105 HydrophobicContact CG2-CD2 3.39Å; T73-W105 HydrophobicContact CG2-CE3 3.52Å; T73-W105 HydrophobicContact CG2-CG 3.86Å; T73-W105 HydrophobicContact CG2-CH2 4.19Å; T73-W105 HydrophobicContact CG2-CZ2 4.1Å; T73-W105 HydrophobicContact CG2-CZ3 3.92Å; T73-V108 HydrophobicContact CG2-CG2 4.09Å
74Y95.4Very high96.5Very high211 Ų21143.2 Ų43.283%0.82723%0.229SC*.G310 helixtrans-65-14.8173.5-61.2-68.6000114S72S72-Y74 PolarHBondContact O-N 3.04Å; S72-Y74 VanDerWaalsContact O-N 3.14Å; S72-Y74 VanDerWaalsContact OG-CD2 3.24Å; S72-Y74 WeakPolarHBondContact OG-CD2 3.36Å; S72-Y74 PolarHBondContact OG-N 3.03Å
75K96.3Very high96.5Very high69 Ų6941 Ų4130%0.322%0.216SC..G310 helixtrans-98.53.3176.3-59.1-58.9-173.9-176.20112.7E47 T48 V49 V70 S72 T73 S77 I80E47-K75 IonicContact OE2-NZ 2.62Å; E47-K75 PolarHBondContact OE2-NZ 3.01Å; T48-K75 WeakPolarHBondContact OG1-CE 3.45Å; V49-K75 HydrophobicContact CG2-CB 3.71Å; V49-K75 HydrophobicContact CG2-CG 4.39Å; V70-K75 HydrophobicContact CG1-CB 3.94Å; S72-K75 WeakPolarHBondContact O-CB 3.13Å; S72-K75 PolarHBondContact O-N 3.33Å; T73-K75 PolarHBondContact O-N 3.4Å; T73-K75 VanDerWaalsContact O-N 3.15Å; K75-S77 PolarHBondContact O-N 3.29Å; K75-I80 WeakPolarHBondContact O-CD1 3.31Å
76M96.1Very high96.5Very high44 Ų4440.9 Ų40.922%0.21722%0.216CC..  trans-67.8119.3173.8-74.3-64.1-69.900110.5L16 V70 T73 I80 A81 W105 V108 L112L16-M76 HydrophobicContact CD1-CE 4.33Å; L16-M76 HydrophobicContact CD1-SD 3.58Å; L16-M76 VanDerWaalsContact CD1-SD 3.58Å; V70-M76 HydrophobicContact CG1-SD 4.32Å; T73-M76 VanDerWaalsContact O-CB 3.29Å; T73-M76 WeakPolarHBondContact O-CB 3.45Å; T73-M76 WeakPolarHBondContact O-CG 3.45Å; T73-M76 PolarHBondContact O-N 3.46Å; M76-I80 HydrophobicContact CE-CB 4.23Å; M76-I80 HydrophobicContact CE-CG2 3.71Å; M76-I80 HydrophobicContact SD-CB 4.22Å; M76-I80 HydrophobicContact SD-CG2 3.52Å; M76-I80 VanDerWaalsContact SD-CG2 3.52Å; M76-A81 HydrophobicContact CE-CB 4.16Å; M76-W105 HydrophobicContact CG-CH2 4.12Å; M76-W105 HydrophobicContact CG-CZ3 3.87Å; M76-W105 HydrophobicContact SD-CH2 4.05Å; M76-W105 HydrophobicContact SD-CZ3 3.74Å; M76-V108 HydrophobicContact CE-CG1 4.03Å; M76-L112 HydrophobicContact CE-CD1 3.97Å
77S94.8Very high96.6Very high37 Ų3739.9 Ų39.926%0.25921%0.211SC..  trans-101.3165.8170.274.80000110.3K75 E79 I80 A81K75-S77 PolarHBondContact O-N 3.29Å; S77-E79 PolarHBondContact O-N 3.18Å; S77-E79 PolarHBondContact OG-N 3.14Å; S77-I80 PolarHBondContact O-N 2.97Å; S77-I80 WeakPolarHBondContact OG-CG1 3.42Å; S77-I80 PolarHBondContact OG-N 3.26Å; S77-A81 PolarHBondContact O-N 3.41Å
78A94.2Very high96.6Very high68 Ų6839.9 Ų39.956%0.56221%0.211SC*.Hα-helixtrans-60.5-33.6174.600000112.1A81 Q82A78-A81 PolarHBondContact O-N 2.69Å; A78-Q82 WeakPolarHBondContact O-CB 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 2.75Å
79E94.6Very high96.6Very high63 Ų6339.9 Ų39.929%0.29421%0.211SC..Hα-helixtrans-66.7-43.3176.7-178.6-174.7-177.400111.8K44 S77 Q82 S83K44-E79 IonicContact NZ-OE1 2.62Å; K44-E79 PolarHBondContact NZ-OE1 3.07Å; K44-E79 IonicContact NZ-OE2 2.68Å; K44-E79 PolarHBondContact NZ-OE2 3.16Å; S77-E79 PolarHBondContact O-N 3.18Å; S77-E79 PolarHBondContact OG-N 3.14Å; E79-Q82 PolarHBondContact O-N 2.94Å; E79-S83 WeakPolarHBondContact O-CB 3.49Å; E79-S83 PolarHBondContact O-N 3.42Å; E79-S83 VanDerWaalsContact O-N 3.07Å; E79-S83 PolarHBondContact O-OG 2.93Å
80I96.4Very high96.6Very high1 Ų140.4 Ų40.41%0.00521%0.213CC..Hα-helixtrans-64-46.1175-61.1165.8000109.6L16 V49 W51 V70 K75 M76 S77 Q82 S83 M84L16-I80 HydrophobicContact CD1-CG2 3.88Å; V49-I80 HydrophobicContact CG1-CD1 4.01Å; V49-I80 HydrophobicContact CG2-CD1 4.48Å; W51-I80 HydrophobicContact CH2-CD1 4.43Å; W51-I80 HydrophobicContact CZ2-CD1 3.9Å; W51-I80 HydrophobicContact CZ2-CG1 3.7Å; V70-I80 HydrophobicContact CG2-CD1 4.07Å; V70-I80 HydrophobicContact CG2-CG2 4.24Å; K75-I80 WeakPolarHBondContact O-CD1 3.31Å; M76-I80 HydrophobicContact CE-CB 4.23Å; M76-I80 HydrophobicContact CE-CG2 3.71Å; M76-I80 HydrophobicContact SD-CB 4.22Å; M76-I80 HydrophobicContact SD-CG2 3.52Å; M76-I80 VanDerWaalsContact SD-CG2 3.52Å; S77-I80 PolarHBondContact O-N 2.97Å; S77-I80 WeakPolarHBondContact OG-CG1 3.42Å; S77-I80 PolarHBondContact OG-N 3.26Å; I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 PolarHBondContact O-N 3.32Å; I80-S83 WeakPolarHBondContact CA-OG 3.43Å; I80-S83 PolarHBondContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.26Å; I80-M84 WeakPolarHBondContact O-CB 3.49Å; I80-M84 PolarHBondContact O-N 3.17Å
81A96.4Very high96.7Very high29 Ų2940.4 Ų40.424%0.2421%0.213CC..Hα-helixtrans-60.2-39.6179.500000112.8M76 S77 A78 L112M76-A81 HydrophobicContact CE-CB 4.16Å; S77-A81 PolarHBondContact O-N 3.41Å; A78-A81 PolarHBondContact O-N 2.69Å; A81-L112 HydrophobicContact CB-CD1 3.96Å; A81-L112 HydrophobicContact CB-CD2 4.06Å
82Q95.4Very high96.7Very high140 Ų14039.4 Ų39.465%0.65420%0.204SC*.Hα-helixtrans-75.4-25.2179.2-73169.615.800113.7A78 E79 I80A78-Q82 WeakPolarHBondContact O-CB 3.31Å; A78-Q82 WeakPolarHBondContact O-CG 3.43Å; A78-Q82 PolarHBondContact O-N 2.75Å; E79-Q82 PolarHBondContact O-N 2.94Å; I80-Q82 VanDerWaalsContact C-N 3.31Å; I80-Q82 PolarHBondContact O-N 3.32Å
83S96.4Very high96.8Very high4 Ų437.6 Ų37.63%0.02819%0.192CC..Hα-helixtrans-94.6-21.6-17853.30000114L12 P13 C14 E79 I80 Q85L12-S83 VanDerWaalsContact O-CB 3.24Å; L12-S83 WeakPolarHBondContact O-CB 3.25Å; P13-S83 CarbonylContact C-O 3.54Å; P13-S83 WeakPolarHBondContact CA-O 3.31Å; C14-S83 PolarHBondContact N-O 3.29Å; C14-S83 PolarHBondContact SG-OG 2.84Å; E79-S83 WeakPolarHBondContact O-CB 3.49Å; E79-S83 PolarHBondContact O-N 3.42Å; E79-S83 VanDerWaalsContact O-N 3.07Å; E79-S83 PolarHBondContact O-OG 2.93Å; I80-S83 WeakPolarHBondContact CA-OG 3.43Å; I80-S83 PolarHBondContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.26Å; S83-Q85 PolarHBondContact O-N 3.39Å; S83-Q85 VanDerWaalsContact O-N 3.16Å
84M97.6Very high96.8Very high10 Ų1042.8 Ų42.85%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-65.4113.3-173.3-171.9-17979.500112.1C14 L16 I80 F87 L112 P114C14-M84 VanDerWaalsContact SG-CA 3.58Å; L16-M84 HydrophobicContact CB-CG 4.04Å; L16-M84 HydrophobicContact CB-SD 3.89Å; L16-M84 HydrophobicContact CD1-SD 3.73Å; L16-M84 HydrophobicContact CG-SD 4.43Å; I80-M84 WeakPolarHBondContact O-CB 3.49Å; I80-M84 PolarHBondContact O-N 3.17Å; M84-F87 HydrophobicContact SD-CB 4.39Å; M84-F87 HydrophobicContact SD-CD2 4.01Å; M84-L112 HydrophobicContact CE-CB 3.57Å; M84-L112 HydrophobicContact CE-CD1 3.42Å; M84-L112 VanDerWaalsContact CE-CD1 3.42Å; M84-L112 HydrophobicContact CE-CG 4.11Å; M84-L112 HydrophobicContact SD-CD1 4.38Å; M84-P114 HydrophobicContact CE-CB 4.2Å; M84-P114 HydrophobicContact CE-CG 3.9Å
85Q98.1Very high96.8Very high33 Ų3334.8 Ų34.815%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-116.5-15.6174.8-75.4177.422.400113P13 C14 S83 P114 E115 W178 S179P13-Q85 HydrophobicContact CB-CG 4.28Å; C14-Q85 PolarHBondContact O-N 2.97Å; S83-Q85 PolarHBondContact O-N 3.39Å; S83-Q85 VanDerWaalsContact O-N 3.16Å; Q85-P114 WeakPolarHBondContact O-CB 3.38Å; Q85-E115 PolarHBondContact O-N 3.45Å; Q85-W178 HydrophobicContact CB-CE3 4.19Å; Q85-W178 HydrophobicContact CB-CZ3 3.83Å; Q85-S179 PolarHBondContact NE2-OG 3.39Å; Q85-S179 VanDerWaalsContact OE1-N 3.12Å
86A98.6Very high96.7Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-139.5150.8171.900000110.3C14 V15 L16 V116 L173 W178C14-A86 PolarHBondContact O-N 3.2Å; V15-A86 WeakPolarHBondContact CA-O 3.14Å; V15-A86 HydrophobicContact CB-CB 4.35Å; V15-A86 HydrophobicContact CG1-CB 3.99Å; V15-A86 HydrophobicContact CG2-CB 4.17Å; L16-A86 PolarHBondContact N-O 3.26Å; A86-V116 CarbonylContact C-O 3.59Å; A86-V116 VanDerWaalsContact CA-O 3.31Å; A86-V116 WeakPolarHBondContact CA-O 3Å; A86-V116 HydrophobicContact CB-CB 3.82Å; A86-V116 HydrophobicContact CB-CG1 4.41Å; A86-L173 HydrophobicContact CB-CD2 3.86Å; A86-W178 HydrophobicContact CB-CH2 3.75Å; A86-W178 HydrophobicContact CB-CZ3 4.42Å
87F98.8Very high96.5Very high2 Ų241.2 Ų41.21%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-135.4125.1-179.1179.5-93.9000110.2L16 T18 M84 A89 W105 V109 P114 V116 L117 I118 F143L16-F87 HydrophobicContact CB-CD2 4.06Å; L16-F87 HydrophobicContact CD1-CD2 4.32Å; L16-F87 HydrophobicContact CD1-CE2 4.45Å; L16-F87 HydrophobicContact CD2-CD2 3.67Å; L16-F87 HydrophobicContact CD2-CE2 3.52Å; L16-F87 HydrophobicContact CG-CD2 4.2Å; L16-F87 HydrophobicContact CG-CE2 4.42Å; T18-F87 HydrophobicContact CG2-CE2 3.97Å; T18-F87 HydrophobicContact CG2-CZ 3.67Å; M84-F87 HydrophobicContact SD-CB 4.39Å; M84-F87 HydrophobicContact SD-CD2 4.01Å; F87-A89 HydrophobicContact CD1-CB 4.38Å; F87-A89 HydrophobicContact CE1-CB 3.56Å; F87-A89 HydrophobicContact CZ-CB 4.02Å; F87-W105 AromaticContact CE2-CD2 3.83Å; F87-W105 HydrophobicContact CE2-CD2 3.83Å; F87-W105 AromaticContact CE2-CE3 3.55Å; F87-W105 HydrophobicContact CE2-CE3 3.55Å; F87-W105 HydrophobicContact CE2-CG 4.3Å; F87-W105 AromaticContact CE2-CZ3 3.97Å; F87-W105 HydrophobicContact CE2-CZ3 3.97Å; F87-W105 HydrophobicContact CZ-CB 3.88Å; F87-W105 AromaticContact CZ-CD2 3.82Å; F87-W105 HydrophobicContact CZ-CD2 3.82Å; F87-W105 AromaticContact CZ-CE3 3.98Å; F87-W105 HydrophobicContact CZ-CE3 3.98Å; F87-W105 AromaticContact CZ-CG 3.8Å; F87-W105 HydrophobicContact CZ-CG 3.8Å; F87-V109 HydrophobicContact CD1-CG2 3.86Å; F87-V109 HydrophobicContact CD2-CG2 4.18Å; F87-V109 HydrophobicContact CE1-CG2 4.03Å; F87-V109 HydrophobicContact CE2-CG2 4.37Å; F87-V109 HydrophobicContact CG-CG2 3.94Å; F87-V109 HydrophobicContact CZ-CG2 4.3Å; F87-P114 HydrophobicContact CB-CG 4.17Å; F87-V116 PolarHBondContact N-O 2.81Å; F87-L117 HydrophobicContact CB-CD2 3.79Å; F87-L117 HydrophobicContact CD1-CD2 4.24Å; F87-L117 HydrophobicContact CG-CD2 4.44Å; F87-I118 PolarHBondContact O-N 2.87Å; F87-F143 AromaticContact CD1-CE1 3.54Å; F87-F143 HydrophobicContact CD1-CE1 3.54Å; F87-F143 AromaticContact CD1-CZ 3.65Å; F87-F143 HydrophobicContact CD1-CZ 3.65Å; F87-F143 AromaticContact CE1-CE1 3.71Å; F87-F143 HydrophobicContact CE1-CE1 3.71Å; F87-F143 AromaticContact CE1-CZ 3.71Å; F87-F143 HydrophobicContact CE1-CZ 3.71Å
88I98.8Very high96.4Very high0 Ų039.5 Ų39.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.9117.9179.3-55.9-179.2000107.9V15 L16 V17 T18 L29 I33 I118 V120 I169 L173V15-I88 HydrophobicContact CG1-CD1 3.59Å; V15-I88 HydrophobicContact CG1-CG1 3.79Å; L16-I88 PolarHBondContact O-N 3.02Å; V17-I88 WeakPolarHBondContact CA-O 3.29Å; V17-I88 HydrophobicContact CG2-CB 4.46Å; T18-I88 PolarHBondContact N-O 3.33Å; L29-I88 HydrophobicContact CD2-CG2 4.15Å; I33-I88 HydrophobicContact CD1-CD1 4.15Å; I88-I118 WeakPolarHBondContact CA-O 3.36Å; I88-I118 HydrophobicContact CG1-CB 4.34Å; I88-I118 HydrophobicContact CG1-CD1 4.47Å; I88-V120 HydrophobicContact CG2-CG2 3.55Å; I88-I169 HydrophobicContact CD1-CG2 3.76Å; I88-L173 HydrophobicContact CD1-CD1 4.25Å
89A98.6Very high96.6Very high0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-116.2123.5178.300000110.8T18 F87 L102 I118 L119 V120T18-A89 HydrophobicContact CG2-CB 4.02Å; T18-A89 CarbonylContact O-C 3.56Å; T18-A89 WeakPolarHBondContact O-CA 3.47Å; F87-A89 HydrophobicContact CD1-CB 4.38Å; F87-A89 HydrophobicContact CE1-CB 3.56Å; F87-A89 HydrophobicContact CZ-CB 4.02Å; A89-L102 HydrophobicContact CB-CD1 4.1Å; A89-L102 HydrophobicContact CB-CD2 3.66Å; A89-I118 PolarHBondContact N-O 3.14Å; A89-L119 HydrophobicContact CB-CD1 4.47Å; A89-V120 PolarHBondContact O-N 3.45Å
90Y98.7Very high96.6Very high15 Ų1538.8 Ų38.86%0.05919%0.189CC..EExtended strand (participates in β ladder)trans-88.7136.8169.4-175.6-89.6000111.4T18 S19 T20 D21 F24 V120 L148T18-Y90 PolarHBondContact O-N 3.24Å; S19-Y90 WeakPolarHBondContact OG-CD1 3.39Å; T20-Y90 PolarHBondContact N-O 2.62Å; T20-Y90 PolarHBondContact OG1-O 3.08Å; T20-Y90 VanDerWaalsContact OG1-O 3.12Å; D21-Y90 HydrophobicContact CB-CD1 4.08Å; D21-Y90 HydrophobicContact CB-CE1 3.87Å; F24-Y90 HydrophobicContact CB-CD1 3.68Å; F24-Y90 HydrophobicContact CB-CE1 3.63Å; F24-Y90 HydrophobicContact CB-CG 4.39Å; F24-Y90 AromaticContact CD1-CD1 3.8Å; F24-Y90 HydrophobicContact CD1-CD1 3.8Å; F24-Y90 HydrophobicContact CD1-CD2 4.17Å; F24-Y90 HydrophobicContact CD1-CE1 4.4Å; F24-Y90 AromaticContact CD1-CG 3.66Å; F24-Y90 HydrophobicContact CD1-CG 3.66Å; F24-Y90 AromaticContact CD2-CD1 3.83Å; F24-Y90 HydrophobicContact CD2-CD1 3.83Å; F24-Y90 AromaticContact CD2-CD2 3.72Å; F24-Y90 HydrophobicContact CD2-CD2 3.72Å; F24-Y90 AromaticContact CD2-CE1 3.64Å; F24-Y90 HydrophobicContact CD2-CE1 3.64Å; F24-Y90 AromaticContact CD2-CE2 3.5Å; F24-Y90 HydrophobicContact CD2-CE2 3.5Å; F24-Y90 VanDerWaalsContact CD2-CE2 3.5Å; F24-Y90 AromaticContact CD2-CG 3.87Å; F24-Y90 HydrophobicContact CD2-CG 3.87Å; F24-Y90 AromaticContact CD2-CZ 3.45Å; F24-Y90 VanDerWaalsContact CD2-CZ 3.45Å; F24-Y90 HydrophobicContact CE1-CD1 4.34Å; F24-Y90 AromaticContact CE1-CD2 3.91Å; F24-Y90 HydrophobicContact CE1-CD2 3.91Å; F24-Y90 AromaticContact CE1-CG 3.73Å; F24-Y90 HydrophobicContact CE1-CG 3.73Å; F24-Y90 HydrophobicContact CE2-CD1 4.39Å; F24-Y90 AromaticContact CE2-CD2 3.45Å; F24-Y90 HydrophobicContact CE2-CD2 3.45Å; F24-Y90 VanDerWaalsContact CE2-CD2 3.45Å; F24-Y90 HydrophobicContact CE2-CE1 4.36Å; F24-Y90 AromaticContact CE2-CE2 3.4Å; F24-Y90 HydrophobicContact CE2-CE2 3.4Å; F24-Y90 AromaticContact CE2-CG 3.96Å; F24-Y90 HydrophobicContact CE2-CG 3.96Å; F24-Y90 AromaticContact CE2-CZ 3.89Å; F24-Y90 AromaticContact CG-CD1 3.48Å; F24-Y90 HydrophobicContact CG-CD1 3.48Å; F24-Y90 VanDerWaalsContact CG-CD1 3.48Å; F24-Y90 HydrophobicContact CG-CD2 4.05Å; F24-Y90 AromaticContact CG-CE1 3.64Å; F24-Y90 HydrophobicContact CG-CE1 3.64Å; F24-Y90 HydrophobicContact CG-CE2 4.17Å; F24-Y90 AromaticContact CG-CG 3.71Å; F24-Y90 HydrophobicContact CG-CG 3.71Å; F24-Y90 AromaticContact CG-CZ 3.98Å; F24-Y90 AromaticContact CZ-CD2 3.53Å; F24-Y90 HydrophobicContact CZ-CD2 3.53Å; F24-Y90 AromaticContact CZ-CE2 3.99Å; F24-Y90 HydrophobicContact CZ-CE2 3.99Å; F24-Y90 AromaticContact CZ-CG 3.86Å; F24-Y90 HydrophobicContact CZ-CG 3.86Å; Y90-V120 CarbonylContact C-O 3.6Å; Y90-V120 VanDerWaalsContact CA-O 3.27Å; Y90-V120 WeakPolarHBondContact CA-O 3.38Å; Y90-V120 HydrophobicContact CD2-CB 4.21Å; Y90-V120 HydrophobicContact CD2-CG1 3.92Å; Y90-L148 HydrophobicContact CE2-CD1 4.28Å
91F98Very high96.6Very high0 Ų043 Ų430%021%0.207CC..  trans-130.6144.5167.881-71.8000112.1T20 S93 L99 L102 L119 V120 C121 V129 A134 L145T20-F91 WeakPolarHBondContact OG1-CA 3.36Å; F91-S93 PolarHBondContact O-N 2.9Å; F91-L99 HydrophobicContact CD1-CD2 4.22Å; F91-L99 HydrophobicContact CD2-CD2 3.78Å; F91-L99 HydrophobicContact CD2-CG 4.19Å; F91-L99 HydrophobicContact CE1-CD2 4.2Å; F91-L99 HydrophobicContact CE2-CD2 3.74Å; F91-L99 HydrophobicContact CE2-CG 4.12Å; F91-L99 HydrophobicContact CG-CD2 4.02Å; F91-L99 HydrophobicContact CZ-CD2 3.97Å; F91-L102 HydrophobicContact CB-CD1 4.49Å; F91-L119 HydrophobicContact CD1-CD1 3.5Å; F91-L119 VanDerWaalsContact CD1-CD1 3.5Å; F91-L119 HydrophobicContact CD1-CD2 3.94Å; F91-L119 HydrophobicContact CD1-CG 3.62Å; F91-L119 HydrophobicContact CE1-CD1 3.99Å; F91-L119 HydrophobicContact CE1-CD2 3.53Å; F91-L119 HydrophobicContact CE1-CG 3.56Å; F91-L119 HydrophobicContact CG-CD1 4.32Å; F91-L119 HydrophobicContact CZ-CD2 4.22Å; F91-V120 VanDerWaalsContact CD1-O 3.29Å; F91-V120 WeakPolarHBondContact CD1-O 3.27Å; F91-V120 PolarHBondContact N-O 3.21Å; F91-C121 HydrophobicContact CD1-CB 3.99Å; F91-C121 HydrophobicContact CE1-CB 3.55Å; F91-C121 HydrophobicContact CZ-CB 3.88Å; F91-C121 WeakPolarHBondContact O-CB 3.38Å; F91-V129 HydrophobicContact CE2-CB 4Å; F91-V129 HydrophobicContact CE2-CG1 3.91Å; F91-V129 HydrophobicContact CE2-CG2 4.27Å; F91-V129 HydrophobicContact CZ-CG1 4.46Å; F91-A134 HydrophobicContact CZ-CB 4.07Å; F91-L145 HydrophobicContact CE1-CD1 4.24Å
92D96.8Very high96.7Very high33 Ų3341.7 Ų41.718%0.17620%0.196CC..  trans-81.4105.2170.4-179.612.2000109.6D21 K94 V95D21-D92 HydrophobicContact CB-CB 3.97Å; D92-K94 PolarHBondContact O-N 2.79Å; D92-K94 VanDerWaalsContact OD1-CB 3.31Å; D92-K94 WeakPolarHBondContact OD1-CB 3.4Å; D92-K94 PolarHBondContact OD1-N 3.4Å; D92-V95 HydrophobicContact CB-CG2 4.29Å; D92-V95 PolarHBondContact O-N 2.87Å; D92-V95 VanDerWaalsContact O-N 3.13Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.28Å
93S96.4Very high96.7Very high2 Ų238.9 Ų38.91%0.01419%0.186CC..THydrogen-bonded Turntrans-65.3-17.2178172.30000113.2F91 V95 V124 C125 G128 V129F91-S93 PolarHBondContact O-N 2.9Å; S93-V95 PolarHBondContact O-N 3.33Å; S93-V124 WeakPolarHBondContact OG-CA 3.44Å; S93-C125 PolarHBondContact OG-N 2.9Å; S93-G128 CarbonylContact O-C 3.52Å; S93-G128 WeakPolarHBondContact O-CA 3.21Å; S93-V129 PolarHBondContact O-N 2.68Å; S93-V129 PolarHBondContact OG-O 3.44Å
94K95.9Very high96.8Very high138 Ų13842.1 Ų42.160%0.621%0.207SC*.THydrogen-bonded Turntrans-71.8-17.8174.6-61.5166.2-172.9157.90112.5D92 C125D92-K94 PolarHBondContact O-N 2.79Å; D92-K94 VanDerWaalsContact OD1-CB 3.31Å; D92-K94 WeakPolarHBondContact OD1-CB 3.4Å; D92-K94 PolarHBondContact OD1-N 3.4Å; K94-C125 HydrophobicContact CG-CB 4.13Å
95V95.5Very high96.8Very high43 Ų4342.1 Ų42.126%0.26121%0.206SC..SBendtrans-94.8118179.3175.70000109D92 S93 D97 G98 V129D92-V95 HydrophobicContact CB-CG2 4.29Å; D92-V95 PolarHBondContact O-N 2.87Å; D92-V95 VanDerWaalsContact O-N 3.13Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.28Å; S93-V95 PolarHBondContact O-N 3.33Å; V95-D97 VanDerWaalsContact C-N 3.26Å; V95-D97 WeakPolarHBondContact CG1-OD1 3.48Å; V95-D97 PolarHBondContact O-N 3.22Å; V95-G98 WeakPolarHBondContact O-CA 3.43Å; V95-G98 PolarHBondContact O-N 2.86Å; V95-V129 WeakPolarHBondContact O-CG2 3.41Å
96K93.8Very high96.8Very high159 Ų15941.3 Ų41.369%0.69120%0.203SC*.THydrogen-bonded Turntrans-56.6-35.9-174.5-67.6-172.3176.6-167.70114.4G98 D127K96-G98 VanDerWaalsContact C-N 3.33Å; K96-D127 WeakPolarHBondContact CE-O 3.39Å
97D93.3Very high96.8Very high88 Ų8845 Ų4547%0.47123%0.227SC..THydrogen-bonded Turntrans-96.922.2176.967.1-29.2000112.6V95 L99 E100 K101V95-D97 VanDerWaalsContact C-N 3.26Å; V95-D97 WeakPolarHBondContact CG1-OD1 3.48Å; V95-D97 PolarHBondContact O-N 3.22Å; D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.43Å; D97-E100 WeakPolarHBondContact CA-OE2 3.39Å; D97-E100 PolarHBondContact O-N 3.4Å; D97-K101 PolarHBondContact O-N 2.97Å
98G93.1Very high96.7Very high1 Ų146.6 Ų46.61%0.0124%0.237CC..THydrogen-bonded Turntrans-62.4-36.3-174.800000113.1V95 K96V95-G98 WeakPolarHBondContact O-CA 3.43Å; V95-G98 PolarHBondContact O-N 2.86Å; K96-G98 VanDerWaalsContact C-N 3.33Å
99L96.6Very high96.6Very high12 Ų1247 Ų476%0.06324%0.239CC..THydrogen-bonded Turntrans-73.1-37.4178.2-67.4173.9000111.9F91 D97 K101 L102 L119 V129 W137F91-L99 HydrophobicContact CD1-CD2 4.22Å; F91-L99 HydrophobicContact CD2-CD2 3.78Å; F91-L99 HydrophobicContact CD2-CG 4.19Å; F91-L99 HydrophobicContact CE1-CD2 4.2Å; F91-L99 HydrophobicContact CE2-CD2 3.74Å; F91-L99 HydrophobicContact CE2-CG 4.12Å; F91-L99 HydrophobicContact CG-CD2 4.02Å; F91-L99 HydrophobicContact CZ-CD2 3.97Å; D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.43Å; L99-K101 PolarHBondContact O-N 2.86Å; L99-L102 VanDerWaalsContact O-CB 3.31Å; L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.94Å; L99-L119 HydrophobicContact CD2-CD1 4.43Å; L99-L119 HydrophobicContact CD2-CD2 3.73Å; L99-V129 HydrophobicContact CD1-CG1 3.53Å; L99-V129 HydrophobicContact CD1-CG2 4.48Å; L99-V129 HydrophobicContact CG-CG1 3.96Å; L99-V129 HydrophobicContact CG-CG2 4.29Å; L99-W137 HydrophobicContact CB-CG 4.43Å; L99-W137 HydrophobicContact CD1-CB 3.82Å; L99-W137 HydrophobicContact CD1-CG 3.93Å; L99-W137 HydrophobicContact CD2-CD2 4.14Å; L99-W137 HydrophobicContact CD2-CE3 4.47Å; L99-W137 HydrophobicContact CD2-CG 4.19Å; L99-W137 HydrophobicContact CG-CG 4.42Å
100E96.3Very high96.6Very high104 Ų10453.5 Ų53.549%0.48627%0.269SS..G310 helixtrans-63.7-24.5-179.2-70.582.1168.500112.2D97 L102 N103D97-E100 WeakPolarHBondContact CA-OE2 3.39Å; D97-E100 PolarHBondContact O-N 3.4Å; E100-L102 PolarHBondContact O-N 2.94Å; E100-N103 WeakPolarHBondContact O-CB 3.5Å; E100-N103 PolarHBondContact O-N 2.67Å; E100-N103 VanDerWaalsContact O-N 3.08Å; E100-N103 PolarHBondContact O-ND2 3.35Å; E100-N103 VanDerWaalsContact O-ND2 3.16Å
101K95.8Very high96.5Very high89 Ų8959 Ų5939%0.38730%0.3SS..G310 helixtrans-65.7-18173.1-65175.2-175178.30112.9T20 D97 L99 P104T20-K101 HydrophobicContact CG2-CB 3.55Å; D97-K101 PolarHBondContact O-N 2.97Å; L99-K101 PolarHBondContact O-N 2.86Å; K101-P104 WeakPolarHBondContact O-CD 3.36Å
102L97.3Very high96.4Very high2 Ų261.1 Ų61.11%0.0131%0.311CS..G310 helixtrans-85-9.6173.3-64.4172.5000113.3T20 A89 F91 L99 E100 P104 W105 I106 L119 W137T20-L102 HydrophobicContact CG2-CD2 3.37Å; T20-L102 HydrophobicContact CG2-CG 3.74Å; A89-L102 HydrophobicContact CB-CD1 4.1Å; A89-L102 HydrophobicContact CB-CD2 3.66Å; F91-L102 HydrophobicContact CB-CD1 4.49Å; L99-L102 VanDerWaalsContact O-CB 3.31Å; L99-L102 WeakPolarHBondContact O-CB 3.45Å; L99-L102 PolarHBondContact O-N 2.94Å; E100-L102 PolarHBondContact O-N 2.94Å; L102-P104 VanDerWaalsContact C-N 3.28Å; L102-P104 VanDerWaalsContact O-N 3.12Å; L102-W105 WeakPolarHBondContact O-CA 3.36Å; L102-W105 WeakPolarHBondContact O-CB 3.28Å; L102-W105 PolarHBondContact O-N 2.74Å; L102-I106 PolarHBondContact O-N 2.77Å; L102-L119 HydrophobicContact CD1-CD1 3.35Å; L102-W137 HydrophobicContact CB-CH2 4.36Å; L102-W137 HydrophobicContact CB-CZ2 3.96Å; L102-W137 HydrophobicContact CD1-CH2 3.88Å; L102-W137 HydrophobicContact CD1-CZ2 4.06Å
103N96.8Very high96.4Very high82 Ų8263.1 Ų63.144%0.43933%0.327SS..THydrogen-bonded Turntrans-51.3-37.2-180-71-18.3000114.5E100 W105 I106 P107E100-N103 WeakPolarHBondContact O-CB 3.5Å; E100-N103 PolarHBondContact O-N 2.67Å; E100-N103 VanDerWaalsContact O-N 3.08Å; E100-N103 PolarHBondContact O-ND2 3.35Å; E100-N103 VanDerWaalsContact O-ND2 3.16Å; N103-W105 PolarHBondContact O-N 2.71Å; N103-I106 PolarHBondContact O-N 2.61Å; N103-P107 VanDerWaalsContact O-CD 3.23Å; N103-P107 WeakPolarHBondContact O-CD 3.13Å
104P97.9Very high96.4Very high71 Ų7163.6 Ų63.646%0.46133%0.331SS..THydrogen-bonded Turntrans-61.6-29.2174.8-24.436000113.9T73 K101 L102T73-P104 HydrophobicContact CG2-CB 4.09Å; T73-P104 WeakPolarHBondContact CG2-O 3.42Å; K101-P104 WeakPolarHBondContact O-CD 3.36Å; L102-P104 VanDerWaalsContact C-N 3.28Å; L102-P104 VanDerWaalsContact O-N 3.12Å
105W98.1Very high96.2Very high11 Ų1161.7 Ų61.74%0.04232%0.324CS..THydrogen-bonded Turntrans-80.5-25.2-179.9-71.9109.3000113.2L16 T18 V70 S72 T73 M76 F87 L102 N103 V108 V109L16-W105 HydrophobicContact CD1-CH2 3.96Å; L16-W105 HydrophobicContact CD1-CZ3 3.78Å; L16-W105 HydrophobicContact CD2-CH2 4.03Å; L16-W105 HydrophobicContact CD2-CZ3 4.27Å; T18-W105 HydrophobicContact CG2-CZ2 4.21Å; V70-W105 HydrophobicContact CB-CH2 4.1Å; V70-W105 HydrophobicContact CG1-CH2 3.73Å; V70-W105 HydrophobicContact CG1-CZ2 4.34Å; S72-W105 VanDerWaalsContact C-CZ2 3.43Å; T73-W105 HydrophobicContact CG2-CD2 3.39Å; T73-W105 HydrophobicContact CG2-CE3 3.52Å; T73-W105 HydrophobicContact CG2-CG 3.86Å; T73-W105 HydrophobicContact CG2-CH2 4.19Å; T73-W105 HydrophobicContact CG2-CZ2 4.1Å; T73-W105 HydrophobicContact CG2-CZ3 3.92Å; M76-W105 HydrophobicContact CG-CH2 4.12Å; M76-W105 HydrophobicContact CG-CZ3 3.87Å; M76-W105 HydrophobicContact SD-CH2 4.05Å; M76-W105 HydrophobicContact SD-CZ3 3.74Å; F87-W105 AromaticContact CE2-CD2 3.83Å; F87-W105 HydrophobicContact CE2-CD2 3.83Å; F87-W105 AromaticContact CE2-CE3 3.55Å; F87-W105 HydrophobicContact CE2-CE3 3.55Å; F87-W105 HydrophobicContact CE2-CG 4.3Å; F87-W105 AromaticContact CE2-CZ3 3.97Å; F87-W105 HydrophobicContact CE2-CZ3 3.97Å; F87-W105 HydrophobicContact CZ-CB 3.88Å; F87-W105 AromaticContact CZ-CD2 3.82Å; F87-W105 HydrophobicContact CZ-CD2 3.82Å; F87-W105 AromaticContact CZ-CE3 3.98Å; F87-W105 HydrophobicContact CZ-CE3 3.98Å; F87-W105 AromaticContact CZ-CG 3.8Å; F87-W105 HydrophobicContact CZ-CG 3.8Å; L102-W105 WeakPolarHBondContact O-CA 3.36Å; L102-W105 WeakPolarHBondContact O-CB 3.28Å; L102-W105 PolarHBondContact O-N 2.74Å; N103-W105 PolarHBondContact O-N 2.71Å; W105-V108 HydrophobicContact CE3-CB 4.46Å; W105-V108 HydrophobicContact CE3-CG1 4.41Å; W105-V108 WeakPolarHBondContact O-CB 2.99Å; W105-V108 PolarHBondContact O-N 3.47Å; W105-V109 PolarHBondContact O-N 3.07Å
106I97.9Very high96.3Very high16 Ų1660.6 Ų60.68%0.08232%0.317CS..Hα-helixtrans-56.1-52-176.4-62-54.6000112.3L102 N103 V108 V109 E110 W137 H141 F143L102-I106 PolarHBondContact O-N 2.77Å; N103-I106 PolarHBondContact O-N 2.61Å; I106-V108 PolarHBondContact O-N 2.96Å; I106-V109 PolarHBondContact O-N 3.39Å; I106-E110 HydrophobicContact CG2-CG 4.27Å; I106-E110 WeakPolarHBondContact O-CG 3.08Å; I106-E110 PolarHBondContact O-N 3.01Å; I106-W137 HydrophobicContact CD1-CH2 3.78Å; I106-W137 HydrophobicContact CD1-CZ2 3.52Å; I106-W137 HydrophobicContact CG1-CZ2 4.31Å; I106-H141 HydrophobicContact CD1-CB 4.21Å; I106-F143 HydrophobicContact CD1-CE2 4.38Å
107P97.8Very high96.6Very high78 Ų7854 Ų5451%0.50629%0.29SS..Hα-helixtrans-62.4-29.4178.1-22.433.8000113.7N103 D111N103-P107 VanDerWaalsContact O-CD 3.23Å; N103-P107 WeakPolarHBondContact O-CD 3.13Å; P107-D111 WeakPolarHBondContact O-CB 3.26Å; P107-D111 PolarHBondContact O-N 3.02Å; P107-D111 VanDerWaalsContact O-N 3.08Å
108V97.7Very high96.8Very high35 Ų3549.9 Ų49.921%0.21227%0.267CS..Hα-helixtrans-70.6-44.7178.2178.50000110.1T73 M76 W105 I106 D111 L112T73-V108 HydrophobicContact CG2-CG2 4.09Å; M76-V108 HydrophobicContact CE-CG1 4.03Å; W105-V108 HydrophobicContact CE3-CB 4.46Å; W105-V108 HydrophobicContact CE3-CG1 4.41Å; W105-V108 WeakPolarHBondContact O-CB 2.99Å; W105-V108 PolarHBondContact O-N 3.47Å; I106-V108 PolarHBondContact O-N 2.96Å; V108-D111 PolarHBondContact O-N 3.28Å; V108-L112 HydrophobicContact CG1-CD1 3.8Å; V108-L112 HydrophobicContact CG1-CG 4.46Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.45Å; V108-L112 PolarHBondContact O-N 2.77Å
109V97.3Very high97.1Very high8 Ų849.8 Ų49.85%0.04827%0.267CS..Hα-helixtrans-67-40.3177.4166.70000111.2F87 W105 I106 S113 P114 L117 F143F87-V109 HydrophobicContact CD1-CG2 3.86Å; F87-V109 HydrophobicContact CD2-CG2 4.18Å; F87-V109 HydrophobicContact CE1-CG2 4.03Å; F87-V109 HydrophobicContact CE2-CG2 4.37Å; F87-V109 HydrophobicContact CG-CG2 3.94Å; F87-V109 HydrophobicContact CZ-CG2 4.3Å; W105-V109 PolarHBondContact O-N 3.07Å; I106-V109 PolarHBondContact O-N 3.39Å; V109-S113 WeakPolarHBondContact O-CA 3.4Å; V109-S113 PolarHBondContact O-N 3.44Å; V109-P114 HydrophobicContact CG1-CG 4.23Å; V109-P114 WeakPolarHBondContact O-CD 3.28Å; V109-L117 HydrophobicContact CG1-CD1 3.72Å; V109-L117 HydrophobicContact CG1-CD2 3.55Å; V109-L117 HydrophobicContact CG1-CG 4.29Å; V109-L117 HydrophobicContact CG2-CD2 4.44Å; V109-F143 HydrophobicContact CG1-CE2 4.3Å; V109-F143 HydrophobicContact CG1-CZ 4.42Å; V109-F143 HydrophobicContact CG2-CZ 4.4Å
110E96.7Very high97.2Very high136 Ų13649.2 Ų49.264%0.63626%0.264SS*.Hα-helixtrans-63.7-40.1176.2-72.6176.4165.400112.5I106I106-E110 HydrophobicContact CG2-CG 4.27Å; I106-E110 WeakPolarHBondContact O-CG 3.08Å; I106-E110 PolarHBondContact O-N 3.01Å
111D96.9Very high97.3Very high130 Ų13044.3 Ų44.370%0.69524%0.241SC*.Hα-helixtrans-71.9-42.2178.6-175.561.7000112.5P107 V108P107-D111 WeakPolarHBondContact O-CB 3.26Å; P107-D111 PolarHBondContact O-N 3.02Å; P107-D111 VanDerWaalsContact O-N 3.08Å; V108-D111 PolarHBondContact O-N 3.28Å
112L96.4Very high97.3Very high45 Ų4543 Ų4324%0.23624%0.238CC..Hα-helixtrans-85.4-24.2-176.1-61.7-179.4000113.2M76 A81 M84 V108M76-L112 HydrophobicContact CE-CD1 3.97Å; A81-L112 HydrophobicContact CB-CD1 3.96Å; A81-L112 HydrophobicContact CB-CD2 4.06Å; M84-L112 HydrophobicContact CE-CB 3.57Å; M84-L112 HydrophobicContact CE-CD1 3.42Å; M84-L112 VanDerWaalsContact CE-CD1 3.42Å; M84-L112 HydrophobicContact CE-CG 4.11Å; M84-L112 HydrophobicContact SD-CD1 4.38Å; V108-L112 HydrophobicContact CG1-CD1 3.8Å; V108-L112 HydrophobicContact CG1-CG 4.46Å; V108-L112 WeakPolarHBondContact O-CB 3.31Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.45Å; V108-L112 PolarHBondContact O-N 2.77Å
113S96.3Very high97.2Very high75 Ų7547.5 Ų47.552%0.52426%0.255SS..  trans49.554.5177.4590000114.2V109V109-S113 WeakPolarHBondContact O-CA 3.4Å; V109-S113 PolarHBondContact O-N 3.44Å
114P96.4Very high97.1Very high13 Ų1344.5 Ų44.58%0.08424%0.239CC..  trans-62.3153.317433.3-39.1000110.4M84 Q85 F87 V109 L117M84-P114 HydrophobicContact CE-CB 4.2Å; M84-P114 HydrophobicContact CE-CG 3.9Å; Q85-P114 WeakPolarHBondContact O-CB 3.38Å; F87-P114 HydrophobicContact CB-CG 4.17Å; V109-P114 HydrophobicContact CG1-CG 4.23Å; V109-P114 WeakPolarHBondContact O-CD 3.28Å; P114-L117 HydrophobicContact CB-CD2 4.49Å; P114-L117 HydrophobicContact CG-CD2 3.43Å; P114-L117 VanDerWaalsContact CG-CD2 3.43Å; P114-L117 HydrophobicContact CG-CG 4.29Å
115E92.3Very high96.8Very high98 Ų9842.6 Ų42.646%0.45823%0.227SC..SBendtrans-86.1-23.3-168.3-60.8179152.700112.8Q85 N176 R201Q85-E115 PolarHBondContact O-N 3.45Å; E115-N176 PolarHBondContact OE2-OD1 3.33Å; E115-R201 VanDerWaalsContact CD-CZ 3.47Å; E115-R201 IonicContact OE1-CZ 2.71Å; E115-R201 IonicContact OE1-NH1 2.75Å; E115-R201 PolarHBondContact OE1-NH1 2.92Å; E115-R201 IonicContact OE1-NH2 3.46Å; E115-R201 PolarHBondContact OE1-NH2 3.33Å; E115-R201 IonicContact OE2-CZ 3.76Å; E115-R201 IonicContact OE2-NH1 3.62Å; E115-R201 PolarHBondContact OE2-NH1 3.43Å; E115-R201 IonicContact OE2-NH2 3.07Å; E115-R201 PolarHBondContact OE2-NH2 3.48Å
116V98.1Very high96.6Very high19 Ų1948.3 Ų48.312%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-121117.7178.2179.70000108.6A86 F87 I118 A172 L173 N176A86-V116 CarbonylContact C-O 3.59Å; A86-V116 VanDerWaalsContact CA-O 3.31Å; A86-V116 WeakPolarHBondContact CA-O 3Å; A86-V116 HydrophobicContact CB-CB 3.82Å; A86-V116 HydrophobicContact CB-CG1 4.41Å; F87-V116 PolarHBondContact N-O 2.81Å; V116-I118 HydrophobicContact CG1-CD1 3.76Å; V116-I118 HydrophobicContact CG1-CG1 3.8Å; V116-A172 HydrophobicContact CG1-CB 4.25Å; V116-L173 HydrophobicContact CG1-CD2 4.28Å; V116-N176 HydrophobicContact CG2-CB 3.86Å
117L98.7Very high96.4Very high22 Ų2254.3 Ų54.312%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-120.6114.5178.5-67.9-178.5000109.3F87 V109 P114 A142 F143 E144F87-L117 HydrophobicContact CB-CD2 3.79Å; F87-L117 HydrophobicContact CD1-CD2 4.24Å; F87-L117 HydrophobicContact CG-CD2 4.44Å; V109-L117 HydrophobicContact CG1-CD1 3.72Å; V109-L117 HydrophobicContact CG1-CD2 3.55Å; V109-L117 HydrophobicContact CG1-CG 4.29Å; V109-L117 HydrophobicContact CG2-CD2 4.44Å; P114-L117 HydrophobicContact CB-CD2 4.49Å; P114-L117 HydrophobicContact CG-CD2 3.43Å; P114-L117 VanDerWaalsContact CG-CD2 3.43Å; P114-L117 HydrophobicContact CG-CG 4.29Å; L117-A142 HydrophobicContact CD1-CB 4.44Å; L117-F143 HydrophobicContact CB-CB 4.38Å; L117-F143 HydrophobicContact CB-CD1 3.91Å; L117-F143 HydrophobicContact CB-CD2 4.11Å; L117-F143 HydrophobicContact CB-CE1 4.2Å; L117-F143 HydrophobicContact CB-CE2 4.36Å; L117-F143 HydrophobicContact CB-CG 3.86Å; L117-F143 HydrophobicContact CB-CZ 4.41Å; L117-F143 HydrophobicContact CD1-CD2 4.11Å; L117-F143 HydrophobicContact CD1-CE2 4.02Å; L117-F143 HydrophobicContact CD2-CE1 4.29Å; L117-F143 HydrophobicContact CD2-CE2 4.31Å; L117-F143 HydrophobicContact CD2-CZ 4.01Å; L117-F143 HydrophobicContact CG-CE2 4.48Å; L117-F143 WeakPolarHBondContact O-CA 3.27Å; L117-E144 PolarHBondContact O-N 3.33Å
118I98.8Very high96.3Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-126.1121.2-177-53.2174.6000109.7F87 I88 A89 V116 V120 E144 V146 I169 A172F87-I118 PolarHBondContact O-N 2.87Å; I88-I118 WeakPolarHBondContact CA-O 3.36Å; I88-I118 HydrophobicContact CG1-CB 4.34Å; I88-I118 HydrophobicContact CG1-CD1 4.47Å; A89-I118 PolarHBondContact N-O 3.14Å; V116-I118 HydrophobicContact CG1-CD1 3.76Å; V116-I118 HydrophobicContact CG1-CG1 3.8Å; I118-V120 HydrophobicContact CG2-CG2 3.74Å; I118-E144 WeakPolarHBondContact CA-O 3.36Å; I118-V146 HydrophobicContact CG2-CB 4.02Å; I118-V146 HydrophobicContact CG2-CG2 3.64Å; I118-I169 HydrophobicContact CD1-CB 4.48Å; I118-I169 HydrophobicContact CD1-CG2 4.06Å; I118-I169 HydrophobicContact CG2-CG1 4.41Å; I118-A172 HydrophobicContact CD1-CB 3.94Å
119L98.8Very high96.2Very high0 Ų049.6 Ų49.60%026%0.259CS..EExtended strand (participates in β ladder)trans-94.9122.1170.3-177.171.3000108.1A89 F91 L99 L102 W137 C138 F143 E144 L145 V146A89-L119 HydrophobicContact CB-CD1 4.47Å; F91-L119 HydrophobicContact CD1-CD1 3.5Å; F91-L119 VanDerWaalsContact CD1-CD1 3.5Å; F91-L119 HydrophobicContact CD1-CD2 3.94Å; F91-L119 HydrophobicContact CD1-CG 3.62Å; F91-L119 HydrophobicContact CE1-CD1 3.99Å; F91-L119 HydrophobicContact CE1-CD2 3.53Å; F91-L119 HydrophobicContact CE1-CG 3.56Å; F91-L119 HydrophobicContact CG-CD1 4.32Å; F91-L119 HydrophobicContact CZ-CD2 4.22Å; L99-L119 HydrophobicContact CD2-CD1 4.43Å; L99-L119 HydrophobicContact CD2-CD2 3.73Å; L102-L119 HydrophobicContact CD1-CD1 3.35Å; L119-W137 HydrophobicContact CB-CZ3 4.39Å; L119-W137 HydrophobicContact CD1-CH2 4.4Å; L119-W137 HydrophobicContact CD1-CZ3 3.99Å; L119-W137 HydrophobicContact CD2-CE3 3.74Å; L119-W137 HydrophobicContact CD2-CZ3 3.96Å; L119-W137 HydrophobicContact CG-CZ3 4.34Å; L119-C138 VanDerWaalsContact CD2-SG 3.5Å; L119-F143 HydrophobicContact CB-CB 4.17Å; L119-F143 HydrophobicContact CB-CD1 4.01Å; L119-F143 HydrophobicContact CB-CG 4.46Å; L119-E144 PolarHBondContact N-O 2.92Å; L119-L145 HydrophobicContact CD2-CD1 4.15Å; L119-L145 HydrophobicContact CG-CD1 4.41Å; L119-L145 WeakPolarHBondContact O-CA 3.1Å; L119-V146 PolarHBondContact O-N 3.31Å
120V98.6Very high96.2Very high0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-114.7137.1-174.6-174.10000110I88 A89 Y90 F91 I118 V146 L148 I169I88-V120 HydrophobicContact CG2-CG2 3.55Å; A89-V120 PolarHBondContact O-N 3.45Å; Y90-V120 CarbonylContact C-O 3.6Å; Y90-V120 VanDerWaalsContact CA-O 3.27Å; Y90-V120 WeakPolarHBondContact CA-O 3.38Å; Y90-V120 HydrophobicContact CD2-CB 4.21Å; Y90-V120 HydrophobicContact CD2-CG1 3.92Å; F91-V120 VanDerWaalsContact CD1-O 3.29Å; F91-V120 WeakPolarHBondContact CD1-O 3.27Å; F91-V120 PolarHBondContact N-O 3.21Å; I118-V120 HydrophobicContact CG2-CG2 3.74Å; V120-V146 WeakPolarHBondContact CA-O 3.31Å; V120-L148 HydrophobicContact CG1-CD1 3.89Å; V120-L148 HydrophobicContact CG1-CD2 3.66Å; V120-L148 HydrophobicContact CG1-CG 3.57Å; V120-I169 HydrophobicContact CG1-CD1 4.48Å; V120-I169 HydrophobicContact CG2-CD1 3.93Å
121C97.9Very high96.1Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-137.5165.4163.461.30000109.8F91 V146 E147 L148F91-C121 HydrophobicContact CD1-CB 3.99Å; F91-C121 HydrophobicContact CE1-CB 3.55Å; F91-C121 HydrophobicContact CZ-CB 3.88Å; F91-C121 WeakPolarHBondContact O-CB 3.38Å; C121-V146 PolarHBondContact N-O 2.82Å; C121-E147 WeakPolarHBondContact O-CA 3.45Å; C121-L148 PolarHBondContact O-N 2.87Å
122D96.7Very high96.1Very high61 Ų6146.9 Ų46.933%0.32624%0.24SC..SBendtrans-62.9-60.6172.2-179.143.2000110.6L148 N149D122-L148 PolarHBondContact O-N 3.03Å; D122-L148 VanDerWaalsContact O-N 3.16Å; D122-N149 PolarHBondContact O-N 3.06Å; D122-N149 PolarHBondContact OD1-ND2 2.87Å
123R95.1Very high96.1Very high98 Ų9849.4 Ų49.437%0.3725%0.251SS..SBendtrans-152.2144.4173.2-178.8-173.2-69.4-149.6-5.6108.1E147 N149 P150 Q151R123-E147 WeakPolarHBondContact CA-OE2 3.45Å; R123-N149 PolarHBondContact NE-O 3.48Å; R123-N149 PolarHBondContact NH2-O 2.72Å; R123-P150 PolarHBondContact NH2-O 2.87Å; R123-Q151 VanDerWaalsContact NH1-CB 3.29Å; R123-Q151 VanDerWaalsContact NH1-OE1 3.12Å
124V94.1Very high96.2Very high18 Ų1845.9 Ų45.911%0.10923%0.226CC..  trans-62.4139.6171.3-63.30000111.4S93 R131 L145 E147S93-V124 WeakPolarHBondContact OG-CA 3.44Å; V124-R131 HydrophobicContact CB-CB 4.22Å; V124-R131 HydrophobicContact CG1-CB 4.31Å; V124-R131 HydrophobicContact CG2-CB 3.81Å; V124-R131 HydrophobicContact CG2-CG 4.39Å; V124-L145 HydrophobicContact CG1-CD2 4.3Å; V124-E147 HydrophobicContact CG1-CG 4.11Å; V124-E147 WeakPolarHBondContact CG2-OE2 3.44Å; V124-E147 PolarHBondContact N-OE2 3.42Å
125C93Very high96.2Very high31 Ų3149.5 Ų49.521%0.20924%0.242CC..  trans-121.3114.4-174.4-174.50000110.2S93 K94 D127 G128 V129S93-C125 PolarHBondContact OG-N 2.9Å; K94-C125 HydrophobicContact CG-CB 4.13Å; C125-D127 PolarHBondContact O-N 3.25Å; C125-D127 VanDerWaalsContact O-N 3.15Å; C125-G128 CarbonylContact O-C 3.45Å; C125-G128 PolarHBondContact O-N 2.95Å; C125-V129 PolarHBondContact N-O 3.22Å; C125-V129 CarbonylContact O-C 3.29Å; C125-V129 VanDerWaalsContact O-C 3.29Å; C125-V129 PolarHBondContact O-N 3.21Å; C125-V129 VanDerWaalsContact O-O 3.07Å
126E92.4Very high96.5Very high131 Ų13149.6 Ų49.661%0.61224%0.242SC*.THydrogen-bonded Turntrans-63.6-20.6-179.3-61.7-58.4136.300113.9
127D93.7Very high96.5Very high143 Ų14350 Ų5077%0.76524%0.242SC*.THydrogen-bonded Turntrans-88.8-8.9175-68.9-46.7000113.5K96 C125K96-D127 WeakPolarHBondContact CE-O 3.39Å; C125-D127 PolarHBondContact O-N 3.25Å; C125-D127 VanDerWaalsContact O-N 3.15Å
128G95.7Very high96.5Very high11 Ų1149.2 Ų49.211%0.11324%0.238CC..SBendtrans-116.1-114.5179.700000111.1S93 C125S93-G128 CarbonylContact O-C 3.52Å; S93-G128 WeakPolarHBondContact O-CA 3.21Å; C125-G128 CarbonylContact O-C 3.45Å; C125-G128 PolarHBondContact O-N 2.95Å
129V96.6Very high96.4Very high3 Ų355.5 Ų55.52%0.01827%0.271CS..SBendtrans-91.7112.9169.1177.50000108.4F91 S93 V95 L99 C125 E133 A134F91-V129 HydrophobicContact CE2-CB 4Å; F91-V129 HydrophobicContact CE2-CG1 3.91Å; F91-V129 HydrophobicContact CE2-CG2 4.27Å; F91-V129 HydrophobicContact CZ-CG1 4.46Å; S93-V129 PolarHBondContact O-N 2.68Å; S93-V129 PolarHBondContact OG-O 3.44Å; V95-V129 WeakPolarHBondContact O-CG2 3.41Å; L99-V129 HydrophobicContact CD1-CG1 3.53Å; L99-V129 HydrophobicContact CD1-CG2 4.48Å; L99-V129 HydrophobicContact CG-CG1 3.96Å; L99-V129 HydrophobicContact CG-CG2 4.29Å; C125-V129 PolarHBondContact N-O 3.22Å; C125-V129 CarbonylContact O-C 3.29Å; C125-V129 VanDerWaalsContact O-C 3.29Å; C125-V129 PolarHBondContact O-N 3.21Å; C125-V129 VanDerWaalsContact O-O 3.07Å; V129-E133 HydrophobicContact CG1-CB 4.07Å; V129-A134 HydrophobicContact CG1-CB 4.12Å
130T96Very high96.3Very high28 Ų2859.4 Ų59.417%0.17230%0.298CS..  trans-67.7161.6179.763.40000111.8H132 E133 A134T130-H132 PolarHBondContact O-N 3.08Å; T130-E133 WeakPolarHBondContact CB-OE2 3.46Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.08Å; T130-E133 PolarHBondContact N-OE2 2.92Å; T130-E133 PolarHBondContact O-N 3.48Å; T130-E133 WeakPolarHBondContact OG1-CB 3.34Å; T130-E133 VanDerWaalsContact OG1-CD 3.27Å; T130-E133 VanDerWaalsContact OG1-CG 3.26Å; T130-E133 WeakPolarHBondContact OG1-CG 3.48Å; T130-E133 PolarHBondContact OG1-N 3.34Å; T130-E133 PolarHBondContact OG1-OE2 2.94Å; T130-A134 PolarHBondContact O-N 3.18Å
131R95.6Very high96.3Very high68 Ų6861.9 Ų61.926%0.25731%0.31SS..Hα-helixtrans-55-42.6172.7-175.1176.7-84.8176.5-5.3111.8V124 A134 Q135 E147 E152V124-R131 HydrophobicContact CB-CB 4.22Å; V124-R131 HydrophobicContact CG1-CB 4.31Å; V124-R131 HydrophobicContact CG2-CB 3.81Å; V124-R131 HydrophobicContact CG2-CG 4.39Å; R131-A134 PolarHBondContact O-N 3.21Å; R131-Q135 HydrophobicContact CG-CG 4.32Å; R131-Q135 WeakPolarHBondContact O-CB 3.5Å; R131-Q135 VanDerWaalsContact O-CG 3.27Å; R131-Q135 WeakPolarHBondContact O-CG 3.47Å; R131-Q135 PolarHBondContact O-N 3.49Å; R131-E147 IonicContact CZ-OE1 3.93Å; R131-E147 IonicContact NE-OE1 3.78Å; R131-E147 PolarHBondContact NE-OE1 3.48Å; R131-E147 IonicContact NH2-OE1 2.8Å; R131-E147 PolarHBondContact NH2-OE1 2.92Å; R131-E152 IonicContact CZ-OE2 3.11Å; R131-E152 IonicContact NH1-OE2 3.79Å; R131-E152 PolarHBondContact NH1-OE2 3.4Å; R131-E152 IonicContact NH2-OE2 2.71Å
132H96.1Very high96.2Very high120 Ų12065.7 Ų65.756%0.55634%0.341SS*.Hα-helixtrans-62.9-46-178.7-178.968.3000111.8T130 Q135 Q136T130-H132 PolarHBondContact O-N 3.08Å; H132-Q135 PolarHBondContact O-N 2.82Å; H132-Q136 WeakPolarHBondContact O-CG 3.4Å; H132-Q136 PolarHBondContact O-N 2.86Å
133E97.6Very high96.3Very high99 Ų9963.5 Ų63.546%0.46333%0.328SS..Hα-helixtrans-62.8-45.9177.8-72.5162.2145.800111.7V129 T130 Q135 Q136 W137V129-E133 HydrophobicContact CG1-CB 4.07Å; T130-E133 WeakPolarHBondContact CB-OE2 3.46Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.08Å; T130-E133 PolarHBondContact N-OE2 2.92Å; T130-E133 PolarHBondContact O-N 3.48Å; T130-E133 WeakPolarHBondContact OG1-CB 3.34Å; T130-E133 VanDerWaalsContact OG1-CD 3.27Å; T130-E133 VanDerWaalsContact OG1-CG 3.26Å; T130-E133 WeakPolarHBondContact OG1-CG 3.48Å; T130-E133 PolarHBondContact OG1-N 3.34Å; T130-E133 PolarHBondContact OG1-OE2 2.94Å; E133-Q135 PolarHBondContact O-N 2.98Å; E133-Q136 PolarHBondContact O-N 3.03Å; E133-W137 WeakPolarHBondContact O-CB 3.47Å; E133-W137 PolarHBondContact O-N 3.47Å
134A97.6Very high96.4Very high0 Ų061.8 Ų61.80%033%0.325CS..Hα-helixtrans-60.5-43.6176.500000111.9F91 V129 T130 R131 W137 C138 L145F91-A134 HydrophobicContact CZ-CB 4.07Å; V129-A134 HydrophobicContact CG1-CB 4.12Å; T130-A134 PolarHBondContact O-N 3.18Å; R131-A134 PolarHBondContact O-N 3.21Å; A134-W137 PolarHBondContact O-N 2.9Å; A134-C138 WeakPolarHBondContact O-CB 3.38Å; A134-C138 PolarHBondContact O-N 2.81Å; A134-C138 PolarHBondContact O-SG 2.83Å; A134-C138 VanDerWaalsContact O-SG 3.41Å; A134-L145 HydrophobicContact CB-CD1 4.24Å; A134-L145 HydrophobicContact CB-CD2 3.94Å
135Q97.3Very high96.6Very high90 Ų9062.6 Ų62.642%0.42133%0.328SS..Hα-helixtrans-65-43.2176.6-75.6176.8-25.300112.6R131 H132 E133 W137 C138 L139 L145R131-Q135 HydrophobicContact CG-CG 4.32Å; R131-Q135 WeakPolarHBondContact O-CB 3.5Å; R131-Q135 VanDerWaalsContact O-CG 3.27Å; R131-Q135 WeakPolarHBondContact O-CG 3.47Å; R131-Q135 PolarHBondContact O-N 3.49Å; H132-Q135 PolarHBondContact O-N 2.82Å; E133-Q135 PolarHBondContact O-N 2.98Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 3.29Å; Q135-C138 WeakPolarHBondContact O-CB 3.2Å; Q135-C138 PolarHBondContact O-N 2.94Å; Q135-L139 WeakPolarHBondContact O-CG 3.44Å; Q135-L139 PolarHBondContact O-N 2.84Å; Q135-L145 HydrophobicContact CG-CD2 4Å
136Q98.1Very high96.9Very high100 Ų10061.4 Ų61.447%0.46732%0.32SS..Hα-helixtrans-61.7-42.9175.6-72.6-55.9-67.700111.2H132 E133 C138 L139 S140H132-Q136 WeakPolarHBondContact O-CG 3.4Å; H132-Q136 PolarHBondContact O-N 2.86Å; E133-Q136 PolarHBondContact O-N 3.03Å; Q136-C138 VanDerWaalsContact C-N 3.33Å; Q136-C138 PolarHBondContact O-N 2.73Å; Q136-L139 PolarHBondContact O-N 3Å; Q136-S140 PolarHBondContact O-N 3.33Å; Q136-S140 PolarHBondContact O-OG 3.38Å
137W98.2Very high97.1Very high28 Ų2856 Ų5611%0.10630%0.295CS..Hα-helixtrans-60.4-44.4175.8-172.197.7000111.7L99 L102 I106 L119 E133 A134 Q135 S140 H141 F143L99-W137 HydrophobicContact CB-CG 4.43Å; L99-W137 HydrophobicContact CD1-CB 3.82Å; L99-W137 HydrophobicContact CD1-CG 3.93Å; L99-W137 HydrophobicContact CD2-CD2 4.14Å; L99-W137 HydrophobicContact CD2-CE3 4.47Å; L99-W137 HydrophobicContact CD2-CG 4.19Å; L99-W137 HydrophobicContact CG-CG 4.42Å; L102-W137 HydrophobicContact CB-CH2 4.36Å; L102-W137 HydrophobicContact CB-CZ2 3.96Å; L102-W137 HydrophobicContact CD1-CH2 3.88Å; L102-W137 HydrophobicContact CD1-CZ2 4.06Å; I106-W137 HydrophobicContact CD1-CH2 3.78Å; I106-W137 HydrophobicContact CD1-CZ2 3.52Å; I106-W137 HydrophobicContact CG1-CZ2 4.31Å; L119-W137 HydrophobicContact CB-CZ3 4.39Å; L119-W137 HydrophobicContact CD1-CH2 4.4Å; L119-W137 HydrophobicContact CD1-CZ3 3.99Å; L119-W137 HydrophobicContact CD2-CE3 3.74Å; L119-W137 HydrophobicContact CD2-CZ3 3.96Å; L119-W137 HydrophobicContact CG-CZ3 4.34Å; E133-W137 WeakPolarHBondContact O-CB 3.47Å; E133-W137 PolarHBondContact O-N 3.47Å; A134-W137 PolarHBondContact O-N 2.9Å; Q135-W137 VanDerWaalsContact C-N 3.31Å; Q135-W137 PolarHBondContact O-N 3.29Å; W137-S140 VanDerWaalsContact CA-OG 3.31Å; W137-S140 WeakPolarHBondContact CA-OG 3.42Å; W137-S140 PolarHBondContact O-N 3.19Å; W137-S140 PolarHBondContact O-OG 2.94Å; W137-H141 AromaticContact CD1-CE1 3.78Å; W137-H141 AromaticContact CD1-ND1 3.92Å; W137-H141 AromaticContact CD2-ND1 3.54Å; W137-H141 AromaticContact CE2-CE1 3.73Å; W137-H141 AromaticContact CE2-ND1 3.46Å; W137-H141 AromaticContact CG-ND1 3.87Å; W137-H141 AromaticContact CZ2-ND1 3.9Å; W137-H141 HydrophobicContact CZ3-CB 4.49Å; W137-H141 AromaticContact NE1-CE1 3.49Å; W137-H141 PolarHBondContact NE1-CE1 2.96Å; W137-H141 AromaticContact NE1-ND1 3.68Å; W137-H141 PolarHBondContact O-N 3.28Å; W137-H141 PolarHBondContact O-ND1 2.81Å; W137-F143 HydrophobicContact CH2-CD2 4.04Å; W137-F143 HydrophobicContact CH2-CE1 4.45Å; W137-F143 AromaticContact CH2-CE2 3.98Å; W137-F143 HydrophobicContact CH2-CE2 3.98Å; W137-F143 HydrophobicContact CH2-CG 4.33Å; W137-F143 HydrophobicContact CH2-CZ 4.2Å; W137-F143 HydrophobicContact CZ3-CB 4.08Å; W137-F143 HydrophobicContact CZ3-CD1 4.09Å; W137-F143 AromaticContact CZ3-CD2 3.7Å; W137-F143 HydrophobicContact CZ3-CD2 3.7Å; W137-F143 HydrophobicContact CZ3-CE1 4.45Å; W137-F143 HydrophobicContact CZ3-CE2 4.13Å; W137-F143 AromaticContact CZ3-CG 3.7Å; W137-F143 HydrophobicContact CZ3-CG 3.7Å; W137-F143 HydrophobicContact CZ3-CZ 4.48Å
138C98.4Very high97.3Very high5 Ų550.4 Ų50.43%0.03427%0.265CS..Hα-helixtrans-59.1-48.3175.8-83.40000112.3L119 A134 Q135 Q136 S140 H141 A142 F143L119-C138 VanDerWaalsContact CD2-SG 3.5Å; A134-C138 WeakPolarHBondContact O-CB 3.38Å; A134-C138 PolarHBondContact O-N 2.81Å; A134-C138 PolarHBondContact O-SG 2.83Å; A134-C138 VanDerWaalsContact O-SG 3.41Å; Q135-C138 WeakPolarHBondContact O-CB 3.2Å; Q135-C138 PolarHBondContact O-N 2.94Å; Q136-C138 VanDerWaalsContact C-N 3.33Å; Q136-C138 PolarHBondContact O-N 2.73Å; C138-S140 VanDerWaalsContact C-N 3.31Å; C138-S140 PolarHBondContact O-N 2.86Å; C138-H141 CarbonylContact O-C 3.59Å; C138-H141 PolarHBondContact O-N 2.93Å; C138-A142 CarbonylContact O-C 3.57Å; C138-A142 WeakPolarHBondContact O-CA 2.91Å; C138-A142 PolarHBondContact O-N 3.41Å; C138-F143 HydrophobicContact CB-CB 4.21Å; C138-F143 WeakPolarHBondContact CB-O 3Å; C138-F143 PolarHBondContact O-N 2.9Å
139L97.1Very high97.3Very high132 Ų13254.3 Ų54.369%0.69128%0.283SS*.Hα-helixtrans-60.2-39.7177.1-70.1172.3000112.3Q135 Q136 H141Q135-L139 WeakPolarHBondContact O-CG 3.44Å; Q135-L139 PolarHBondContact O-N 2.84Å; Q136-L139 PolarHBondContact O-N 3Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.84Å
140S97.4Very high97.1Very high82 Ų8254.9 Ų54.957%0.57329%0.287SS*.Hα-helixtrans-68.8-25.6179.345.60000114.4Q136 W137 C138Q136-S140 PolarHBondContact O-N 3.33Å; Q136-S140 PolarHBondContact O-OG 3.38Å; W137-S140 VanDerWaalsContact CA-OG 3.31Å; W137-S140 WeakPolarHBondContact CA-OG 3.42Å; W137-S140 PolarHBondContact O-N 3.19Å; W137-S140 PolarHBondContact O-OG 2.94Å; C138-S140 VanDerWaalsContact C-N 3.31Å; C138-S140 PolarHBondContact O-N 2.86Å
141H97Very high96.8Very high52 Ų5260.3 Ų60.324%0.24131%0.31CS..Hα-helixtrans-116.99.7-176.7-55100.5000113.3I106 W137 C138 L139 F143I106-H141 HydrophobicContact CD1-CB 4.21Å; W137-H141 AromaticContact CD1-CE1 3.78Å; W137-H141 AromaticContact CD1-ND1 3.92Å; W137-H141 AromaticContact CD2-ND1 3.54Å; W137-H141 AromaticContact CE2-CE1 3.73Å; W137-H141 AromaticContact CE2-ND1 3.46Å; W137-H141 AromaticContact CG-ND1 3.87Å; W137-H141 AromaticContact CZ2-ND1 3.9Å; W137-H141 HydrophobicContact CZ3-CB 4.49Å; W137-H141 AromaticContact NE1-CE1 3.49Å; W137-H141 PolarHBondContact NE1-CE1 2.96Å; W137-H141 AromaticContact NE1-ND1 3.68Å; W137-H141 PolarHBondContact O-N 3.28Å; W137-H141 PolarHBondContact O-ND1 2.81Å; C138-H141 CarbonylContact O-C 3.59Å; C138-H141 PolarHBondContact O-N 2.93Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.84Å; H141-F143 VanDerWaalsContact C-N 3.26Å; H141-F143 HydrophobicContact CB-CD2 3.64Å; H141-F143 HydrophobicContact CB-CE2 3.94Å; H141-F143 VanDerWaalsContact O-CD2 3.27Å; H141-F143 WeakPolarHBondContact O-CD2 3.36Å; H141-F143 PolarHBondContact O-N 2.84Å
142A96.9Very high96.4Very high79 Ų7963.1 Ų63.165%0.65333%0.326SS*.THydrogen-bonded Turntrans5928.4-176.800000115.3L117 C138L117-A142 HydrophobicContact CD1-CB 4.44Å; C138-A142 CarbonylContact O-C 3.57Å; C138-A142 WeakPolarHBondContact O-CA 2.91Å; C138-A142 PolarHBondContact O-N 3.41Å
143F98.6Very high96Very high15 Ų1563.4 Ų63.47%0.06633%0.331CS..PPolyproline II helixtrans-84.6152172.1-77.3-111.6000111.2F87 I106 V109 L117 L119 W137 C138 H141F87-F143 AromaticContact CD1-CE1 3.54Å; F87-F143 HydrophobicContact CD1-CE1 3.54Å; F87-F143 AromaticContact CD1-CZ 3.65Å; F87-F143 HydrophobicContact CD1-CZ 3.65Å; F87-F143 AromaticContact CE1-CE1 3.71Å; F87-F143 HydrophobicContact CE1-CE1 3.71Å; F87-F143 AromaticContact CE1-CZ 3.71Å; F87-F143 HydrophobicContact CE1-CZ 3.71Å; I106-F143 HydrophobicContact CD1-CE2 4.38Å; V109-F143 HydrophobicContact CG1-CE2 4.3Å; V109-F143 HydrophobicContact CG1-CZ 4.42Å; V109-F143 HydrophobicContact CG2-CZ 4.4Å; L117-F143 HydrophobicContact CB-CB 4.38Å; L117-F143 HydrophobicContact CB-CD1 3.91Å; L117-F143 HydrophobicContact CB-CD2 4.11Å; L117-F143 HydrophobicContact CB-CE1 4.2Å; L117-F143 HydrophobicContact CB-CE2 4.36Å; L117-F143 HydrophobicContact CB-CG 3.86Å; L117-F143 HydrophobicContact CB-CZ 4.41Å; L117-F143 HydrophobicContact CD1-CD2 4.11Å; L117-F143 HydrophobicContact CD1-CE2 4.02Å; L117-F143 HydrophobicContact CD2-CE1 4.29Å; L117-F143 HydrophobicContact CD2-CE2 4.31Å; L117-F143 HydrophobicContact CD2-CZ 4.01Å; L117-F143 HydrophobicContact CG-CE2 4.48Å; L117-F143 WeakPolarHBondContact O-CA 3.27Å; L119-F143 HydrophobicContact CB-CB 4.17Å; L119-F143 HydrophobicContact CB-CD1 4.01Å; L119-F143 HydrophobicContact CB-CG 4.46Å; W137-F143 HydrophobicContact CH2-CD2 4.04Å; W137-F143 HydrophobicContact CH2-CE1 4.45Å; W137-F143 AromaticContact CH2-CE2 3.98Å; W137-F143 HydrophobicContact CH2-CE2 3.98Å; W137-F143 HydrophobicContact CH2-CG 4.33Å; W137-F143 HydrophobicContact CH2-CZ 4.2Å; W137-F143 HydrophobicContact CZ3-CB 4.08Å; W137-F143 HydrophobicContact CZ3-CD1 4.09Å; W137-F143 AromaticContact CZ3-CD2 3.7Å; W137-F143 HydrophobicContact CZ3-CD2 3.7Å; W137-F143 HydrophobicContact CZ3-CE1 4.45Å; W137-F143 HydrophobicContact CZ3-CE2 4.13Å; W137-F143 AromaticContact CZ3-CG 3.7Å; W137-F143 HydrophobicContact CZ3-CG 3.7Å; W137-F143 HydrophobicContact CZ3-CZ 4.48Å; C138-F143 HydrophobicContact CB-CB 4.21Å; C138-F143 WeakPolarHBondContact CB-O 3Å; C138-F143 PolarHBondContact O-N 2.9Å; H141-F143 VanDerWaalsContact C-N 3.26Å; H141-F143 HydrophobicContact CB-CD2 3.64Å; H141-F143 HydrophobicContact CB-CE2 3.94Å; H141-F143 VanDerWaalsContact O-CD2 3.27Å; H141-F143 WeakPolarHBondContact O-CD2 3.36Å; H141-F143 PolarHBondContact O-N 2.84Å
144E98.2Very high95.5Very high63 Ų6360.5 Ų60.529%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-94.3129.9163-172.5-177.1155.900110L117 I118 L119 V146 R168L117-E144 PolarHBondContact O-N 3.33Å; I118-E144 WeakPolarHBondContact CA-O 3.36Å; L119-E144 PolarHBondContact N-O 2.92Å; E144-V146 HydrophobicContact CG-CG2 4.4Å; E144-R168 VanDerWaalsContact CD-NH2 3.27Å; E144-R168 WeakPolarHBondContact OE1-CG 3.48Å; E144-R168 IonicContact OE1-CZ 3.62Å; E144-R168 VanDerWaalsContact OE1-CZ 3.28Å; E144-R168 IonicContact OE1-NE 2.69Å; E144-R168 PolarHBondContact OE1-NE 3.34Å; E144-R168 IonicContact OE1-NH2 2.97Å; E144-R168 PolarHBondContact OE1-NH2 3.44Å; E144-R168 VanDerWaalsContact OE1-NH2 3.07Å; E144-R168 IonicContact OE2-CZ 2.84Å; E144-R168 IonicContact OE2-NE 2.67Å; E144-R168 IonicContact OE2-NH2 3Å; E144-R168 PolarHBondContact OE2-NH2 3.46Å
145L98.1Very high95Very high35 Ų3564.9 Ų64.918%0.18334%0.344CS..EExtended strand (participates in β ladder)trans-81.6125.9173.2177.963.7000110.4F91 L119 V124 A134 Q135F91-L145 HydrophobicContact CE1-CD1 4.24Å; L119-L145 HydrophobicContact CD2-CD1 4.15Å; L119-L145 HydrophobicContact CG-CD1 4.41Å; L119-L145 WeakPolarHBondContact O-CA 3.1Å; V124-L145 HydrophobicContact CG1-CD2 4.3Å; A134-L145 HydrophobicContact CB-CD1 4.24Å; A134-L145 HydrophobicContact CB-CD2 3.94Å; Q135-L145 HydrophobicContact CG-CD2 4Å
146V98.3Very high94.2Very high5 Ų568.9 Ų68.93%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-126.2114.1172.8-179.70000110.4I118 L119 V120 C121 E144 G165 R168 I169I118-V146 HydrophobicContact CG2-CB 4.02Å; I118-V146 HydrophobicContact CG2-CG2 3.64Å; L119-V146 PolarHBondContact O-N 3.31Å; V120-V146 WeakPolarHBondContact CA-O 3.31Å; C121-V146 PolarHBondContact N-O 2.82Å; E144-V146 HydrophobicContact CG-CG2 4.4Å; V146-G165 WeakPolarHBondContact CG1-O 3.36Å; V146-R168 HydrophobicContact CG1-CB 4.38Å; V146-R168 HydrophobicContact CG2-CG 4.01Å; V146-I169 HydrophobicContact CB-CG1 4.4Å; V146-I169 HydrophobicContact CG1-CD1 4.33Å; V146-I169 HydrophobicContact CG1-CG1 3.93Å; V146-I169 HydrophobicContact CG2-CG1 4.49Å
147E97.8Very high93.7Very high18 Ų1871.2 Ų71.28%0.08438%0.378CS..EExtended strand (participates in β ladder)trans-81.4129168.6-59.2-172.3-115.700109.4C121 R123 V124 R131 P150 G165C121-E147 WeakPolarHBondContact O-CA 3.45Å; R123-E147 WeakPolarHBondContact CA-OE2 3.45Å; V124-E147 HydrophobicContact CG1-CG 4.11Å; V124-E147 WeakPolarHBondContact CG2-OE2 3.44Å; V124-E147 PolarHBondContact N-OE2 3.42Å; R131-E147 IonicContact CZ-OE1 3.93Å; R131-E147 IonicContact NE-OE1 3.78Å; R131-E147 PolarHBondContact NE-OE1 3.48Å; R131-E147 IonicContact NH2-OE1 2.8Å; R131-E147 PolarHBondContact NH2-OE1 2.92Å; E147-P150 HydrophobicContact CB-CB 3.9Å; E147-P150 HydrophobicContact CB-CG 4.49Å; E147-P150 WeakPolarHBondContact O-CD 3.46Å; E147-G165 WeakPolarHBondContact O-CA 3.37Å; E147-G165 PolarHBondContact O-N 3.03Å; E147-G165 VanDerWaalsContact O-N 3.14Å
148L97.3Very high93.2Very high26 Ų2674.3 Ų74.314%0.13640%0.397CS..SBendtrans-71.2-36.5177.5-63.8177.7000112.2F24 L29 Y90 V120 C121 D122 V166 I169F24-L148 HydrophobicContact CE2-CD1 4.15Å; F24-L148 HydrophobicContact CZ-CD1 4.48Å; L29-L148 HydrophobicContact CD1-CD2 4.11Å; Y90-L148 HydrophobicContact CE2-CD1 4.28Å; V120-L148 HydrophobicContact CG1-CD1 3.89Å; V120-L148 HydrophobicContact CG1-CD2 3.66Å; V120-L148 HydrophobicContact CG1-CG 3.57Å; C121-L148 PolarHBondContact O-N 2.87Å; D122-L148 PolarHBondContact O-N 3.03Å; D122-L148 VanDerWaalsContact O-N 3.16Å; L148-V166 HydrophobicContact CD2-CG2 3.87Å; L148-I169 HydrophobicContact CD2-CD1 4.13Å
149N95.6Very high92.6Very high92 Ų9281.4 Ų81.449%0.49244%0.435SS..SBendtrans-133.963.6-178.7-65.1-73.8000110.2D122 R123D122-N149 PolarHBondContact O-N 3.06Å; D122-N149 PolarHBondContact OD1-ND2 2.87Å; R123-N149 PolarHBondContact NE-O 3.48Å; R123-N149 PolarHBondContact NH2-O 2.72Å
150P93Very high91.9Very high16 Ų1684 Ų8410%0.10444%0.441CS..  trans-57.6149.7-178.126.4-34.9000110.9R123 E147 L153 T164R123-P150 PolarHBondContact NH2-O 2.87Å; E147-P150 HydrophobicContact CB-CB 3.9Å; E147-P150 HydrophobicContact CB-CG 4.49Å; E147-P150 WeakPolarHBondContact O-CD 3.46Å; P150-L153 HydrophobicContact CG-CD2 3.98Å; P150-T164 HydrophobicContact CG-CG2 4.19Å
151Q88.8Confident91.4Very high141 Ų14183.5 Ų83.566%0.65944%0.436SS*.SBendtrans-74.3-41.2175.8-176.9158.1-24.700112.5R123R123-Q151 VanDerWaalsContact NH1-CB 3.29Å; R123-Q151 VanDerWaalsContact NH1-OE1 3.12Å
152E86.5Confident90.9Very high127 Ų12788.6 Ų88.659%0.59346%0.46SS*.SBendtrans-101.5116.4-179.2-66.9168.9171.700106.8R131R131-E152 IonicContact CZ-OE2 3.11Å; R131-E152 IonicContact NH1-OE2 3.79Å; R131-E152 PolarHBondContact NH1-OE2 3.4Å; R131-E152 IonicContact NH2-OE2 2.71Å
153L88.5Confident90.7Very high127 Ų12785.8 Ų85.867%0.66544%0.435SS*.PPolyproline II helixtrans-87.7147.8171.6-65.4173.9000108.7P150P150-L153 HydrophobicContact CG-CD2 3.98Å
154P86.8Confident90.5Very high37 Ų3787.4 Ų87.424%0.2445%0.446CS..PPolyproline II helixtrans-54.3148.4168.5-25.637.7000110.6E156 P161 E162 T164P154-E156 PolarHBondContact O-N 3.06Å; P154-P161 HydrophobicContact CB-CB 4.42Å; P154-E162 HydrophobicContact CB-CB 4.34Å; P154-E162 HydrophobicContact CG-CB 3.92Å; P154-E162 WeakPolarHBondContact CG-O 3.48Å; P154-T164 HydrophobicContact CG-CG2 3.87Å
155D86.5Confident90.5Very high92 Ų9284.6 Ų84.649%0.49243%0.434SS..PPolyproline II helixtrans-65.5125.9176.2-161.7-21.5000109D157 D158D155-D157 PolarHBondContact O-N 3.42Å; D155-D157 PolarHBondContact OD1-N 3.02Å; D155-D158 HydrophobicContact CB-CB 4.5Å; D155-D158 WeakPolarHBondContact O-CB 3.34Å; D155-D158 PolarHBondContact O-N 2.93Å
156E81.8Confident90.5Very high174 Ų17483.9 Ų83.981%0.81343%0.431SS*.THydrogen-bonded Turntrans-72-18.9178.7-65.7-171167.300111.7P154 D158P154-E156 PolarHBondContact O-N 3.06Å; E156-D158 VanDerWaalsContact C-N 3.33Å
157D86.1Confident90.4Very high149 Ų14990.3 Ų90.380%0.79746%0.459SS*.THydrogen-bonded Turntrans-83.3-7.9176.6-67.3-31000112.7D155D155-D157 PolarHBondContact O-N 3.42Å; D155-D157 PolarHBondContact OD1-N 3.02Å
158D87.6Confident90.4Very high93 Ų9393 Ų9350%0.49747%0.468SS..SBendtrans-66.4138.3170.6-81.4-23.6000110D155 E156 F160 P161D155-D158 HydrophobicContact CB-CB 4.5Å; D155-D158 WeakPolarHBondContact O-CB 3.34Å; D155-D158 PolarHBondContact O-N 2.93Å; E156-D158 VanDerWaalsContact C-N 3.33Å; D158-F160 PolarHBondContact O-N 3.1Å; D158-P161 WeakPolarHBondContact O-CD 3.12Å
159D86.7Confident90.4Very high154 Ų15491.7 Ų91.782%0.82446%0.461SS*.SBendtrans-57.8-27.2179.4-68.7-42.2000112.8
160F82.1Confident90.5Very high188 Ų18889.5 Ų89.583%0.82545%0.449SS*.SBendtrans-13775.4-179.4-61.7-82.1000110.4D158 E162D158-F160 PolarHBondContact O-N 3.1Å; F160-E162 PolarHBondContact O-N 2.93Å
161P86.3Confident90.7Very high71 Ų7192.5 Ų92.546%0.46146%0.462SS..PPolyproline II helixtrans-67.6131.2-177.728.5-31.5000109.5P154 D158P154-P161 HydrophobicContact CB-CB 4.42Å; D158-P161 WeakPolarHBondContact O-CD 3.12Å
162E87.6Confident91.1Very high159 Ų15986.3 Ų86.374%0.74344%0.435SS*.PPolyproline II helixtrans-58.9147.2175.8-68-175.4179.100110.4P154 F160P154-E162 HydrophobicContact CB-CB 4.34Å; P154-E162 HydrophobicContact CG-CB 3.92Å; P154-E162 WeakPolarHBondContact CG-O 3.48Å; F160-E162 PolarHBondContact O-N 2.93Å
163S92.6Very high91.6Very high19 Ų1980.3 Ų80.313%0.13341%0.407CS..PPolyproline II helixtrans-89.614517167.50000109.8R168 Q171S163-R168 WeakPolarHBondContact O-CB 3Å; S163-R168 WeakPolarHBondContact OG-CA 3.4Å; S163-R168 WeakPolarHBondContact OG-CD 3.44Å; S163-Q171 VanDerWaalsContact CB-OE1 3.29Å; S163-Q171 PolarHBondContact OG-OE1 3.2Å
164T94.4Very high91.9Very high50 Ų5076.2 Ų76.231%0.30739%0.386SS..  trans-125.8171.9178.162.50000111.4P150 P154 R168P150-T164 HydrophobicContact CG-CG2 4.19Å; P154-T164 HydrophobicContact CG-CG2 3.87Å; T164-R168 PolarHBondContact O-N 2.93Å
165G97.1Very high92.2Very high4 Ų478.3 Ų78.34%0.04141%0.406CS..Hα-helixtrans55.7-147.3176.600000114.7V146 E147 K167 R168 I169V146-G165 WeakPolarHBondContact CG1-O 3.36Å; E147-G165 WeakPolarHBondContact O-CA 3.37Å; E147-G165 PolarHBondContact O-N 3.03Å; E147-G165 VanDerWaalsContact O-N 3.14Å; G165-K167 PolarHBondContact O-N 3.26Å; G165-R168 WeakPolarHBondContact O-CB 3.17Å; G165-R168 PolarHBondContact O-N 3.45Å; G165-I169 PolarHBondContact O-N 2.91Å
166V98.1Very high92.5Very high20 Ų2074.5 Ų74.512%0.12139%0.386CS..Hα-helixtrans-62-29.9-175.6-177.30000112.4L29 Q32 I33 L148 R168 I169 I170L29-V166 HydrophobicContact CD1-CG2 3.93Å; Q32-V166 HydrophobicContact CB-CB 4.37Å; Q32-V166 HydrophobicContact CB-CG1 3.88Å; Q32-V166 HydrophobicContact CB-CG2 3.92Å; I33-V166 HydrophobicContact CG1-CG1 4.16Å; L148-V166 HydrophobicContact CD2-CG2 3.87Å; V166-R168 VanDerWaalsContact C-N 3.28Å; V166-R168 PolarHBondContact O-N 3.02Å; V166-I169 PolarHBondContact O-N 3.43Å; V166-I170 HydrophobicContact CG1-CD1 3.85Å; V166-I170 HydrophobicContact CG1-CG1 4.13Å; V166-I170 WeakPolarHBondContact O-CG1 3.2Å; V166-I170 PolarHBondContact O-N 3.22Å
167K96.6Very high92.9Very high140 Ų14067.3 Ų67.361%0.60935%0.353SS*.Hα-helixtrans-57.7-43.4174.1-177.1-176.1176.5-1710110.8G165 I170 Q171G165-K167 PolarHBondContact O-N 3.26Å; K167-I170 PolarHBondContact O-N 3.03Å; K167-Q171 WeakPolarHBondContact O-CG 3.48Å; K167-Q171 PolarHBondContact O-N 3.17Å
168R97.8Very high93.3Very high73 Ų7360.2 Ų60.228%0.27532%0.316SS..Hα-helixtrans-66.2-42.4177.6-177.959.5-166.5138.110.2112.3E144 V146 S163 T164 G165 V166 I170 Q171 A172E144-R168 VanDerWaalsContact CD-NH2 3.27Å; E144-R168 WeakPolarHBondContact OE1-CG 3.48Å; E144-R168 IonicContact OE1-CZ 3.62Å; E144-R168 VanDerWaalsContact OE1-CZ 3.28Å; E144-R168 IonicContact OE1-NE 2.69Å; E144-R168 PolarHBondContact OE1-NE 3.34Å; E144-R168 IonicContact OE1-NH2 2.97Å; E144-R168 PolarHBondContact OE1-NH2 3.44Å; E144-R168 VanDerWaalsContact OE1-NH2 3.07Å; E144-R168 IonicContact OE2-CZ 2.84Å; E144-R168 IonicContact OE2-NE 2.67Å; E144-R168 IonicContact OE2-NH2 3Å; E144-R168 PolarHBondContact OE2-NH2 3.46Å; V146-R168 HydrophobicContact CG1-CB 4.38Å; V146-R168 HydrophobicContact CG2-CG 4.01Å; S163-R168 WeakPolarHBondContact O-CB 3Å; S163-R168 WeakPolarHBondContact OG-CA 3.4Å; S163-R168 WeakPolarHBondContact OG-CD 3.44Å; T164-R168 PolarHBondContact O-N 2.93Å; G165-R168 WeakPolarHBondContact O-CB 3.17Å; G165-R168 PolarHBondContact O-N 3.45Å; V166-R168 VanDerWaalsContact C-N 3.28Å; V166-R168 PolarHBondContact O-N 3.02Å; R168-I170 PolarHBondContact O-N 3.3Å; R168-Q171 WeakPolarHBondContact O-CB 3.4Å; R168-Q171 PolarHBondContact O-N 3.38Å; R168-A172 PolarHBondContact O-N 2.97Å
169I98.5Very high93.6Very high0 Ų058.2 Ų58.20%031%0.309CS..Hα-helixtrans-57-50175.1-59177.4000110.4L29 I33 I88 I118 V120 V146 L148 G165 V166 Q171 A172 L173L29-I169 HydrophobicContact CD1-CD1 4.06Å; I33-I169 HydrophobicContact CD1-CG2 4.07Å; I33-I169 HydrophobicContact CG1-CG2 4.26Å; I88-I169 HydrophobicContact CD1-CG2 3.76Å; I118-I169 HydrophobicContact CD1-CB 4.48Å; I118-I169 HydrophobicContact CD1-CG2 4.06Å; I118-I169 HydrophobicContact CG2-CG1 4.41Å; V120-I169 HydrophobicContact CG1-CD1 4.48Å; V120-I169 HydrophobicContact CG2-CD1 3.93Å; V146-I169 HydrophobicContact CB-CG1 4.4Å; V146-I169 HydrophobicContact CG1-CD1 4.33Å; V146-I169 HydrophobicContact CG1-CG1 3.93Å; V146-I169 HydrophobicContact CG2-CG1 4.49Å; L148-I169 HydrophobicContact CD2-CD1 4.13Å; G165-I169 PolarHBondContact O-N 2.91Å; V166-I169 PolarHBondContact O-N 3.43Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 2.97Å; I169-A172 PolarHBondContact O-N 2.97Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.26Å; I169-L173 PolarHBondContact O-N 3.19Å
170I97.8Very high93.9Very high45 Ų4552.1 Ų52.123%0.23128%0.278CS..Hα-helixtrans-60.9-40.9179.4-67.7168.8000110.7I33 V166 K167 R168 L173 N174I33-I170 HydrophobicContact CG2-CG1 4.46Å; V166-I170 HydrophobicContact CG1-CD1 3.85Å; V166-I170 HydrophobicContact CG1-CG1 4.13Å; V166-I170 WeakPolarHBondContact O-CG1 3.2Å; V166-I170 PolarHBondContact O-N 3.22Å; K167-I170 PolarHBondContact O-N 3.03Å; R168-I170 PolarHBondContact O-N 3.3Å; I170-L173 PolarHBondContact O-N 3.4Å; I170-N174 VanDerWaalsContact CG2-ND2 3.29Å; I170-N174 WeakPolarHBondContact CG2-ND2 3.48Å; I170-N174 WeakPolarHBondContact O-CB 3.32Å; I170-N174 PolarHBondContact O-N 3.29Å; I170-N174 PolarHBondContact O-ND2 3.23Å
171Q96.1Very high94.5Very high80 Ų8043.7 Ų43.737%0.37424%0.242SC..Hα-helixtrans-62.7-46177.1-76.1179.3-12.400112.4S163 K167 R168 I169 L173 N174 A175S163-Q171 VanDerWaalsContact CB-OE1 3.29Å; S163-Q171 PolarHBondContact OG-OE1 3.2Å; K167-Q171 WeakPolarHBondContact O-CG 3.48Å; K167-Q171 PolarHBondContact O-N 3.17Å; R168-Q171 WeakPolarHBondContact O-CB 3.4Å; R168-Q171 PolarHBondContact O-N 3.38Å; I169-Q171 VanDerWaalsContact C-N 3.3Å; I169-Q171 PolarHBondContact O-N 2.97Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 2.63Å; Q171-N174 PolarHBondContact O-N 3.15Å; Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 3.26Å
172A97.3Very high94.7Very high11 Ų1146.8 Ų46.89%0.09125%0.25CS..Hα-helixtrans-59.6-43.7176.400000111.6V116 I118 R168 I169 A175 N176V116-A172 HydrophobicContact CG1-CB 4.25Å; I118-A172 HydrophobicContact CD1-CB 3.94Å; R168-A172 PolarHBondContact O-N 2.97Å; I169-A172 PolarHBondContact O-N 2.97Å; A172-A175 PolarHBondContact O-N 2.84Å; A172-N176 PolarHBondContact O-N 3.43Å
173L97.6Very high94.7Very high0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-67.7-35.9177.2-64.7173.9000113V15 I33 W54 A86 I88 V116 I169 I170 Q171 N176 W178V15-L173 HydrophobicContact CG1-CD2 4.15Å; V15-L173 HydrophobicContact CG2-CD2 3.93Å; I33-L173 HydrophobicContact CG2-CD1 4.28Å; W54-L173 HydrophobicContact CH2-CB 3.78Å; W54-L173 HydrophobicContact CH2-CD1 3.9Å; W54-L173 HydrophobicContact CZ3-CB 3.96Å; W54-L173 HydrophobicContact CZ3-CD1 3.78Å; W54-L173 HydrophobicContact CZ3-CG 4.43Å; A86-L173 HydrophobicContact CB-CD2 3.86Å; I88-L173 HydrophobicContact CD1-CD1 4.25Å; V116-L173 HydrophobicContact CG1-CD2 4.28Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-L173 HydrophobicContact CG2-CG 4.48Å; I169-L173 WeakPolarHBondContact O-CG 3.26Å; I169-L173 PolarHBondContact O-N 3.19Å; I170-L173 PolarHBondContact O-N 3.4Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 2.63Å; L173-N176 WeakPolarHBondContact O-CB 3.27Å; L173-N176 PolarHBondContact O-N 3.46Å; L173-W178 HydrophobicContact CB-CZ2 4.28Å; L173-W178 HydrophobicContact CD2-CH2 4.11Å; L173-W178 HydrophobicContact CD2-CZ2 3.98Å; L173-W178 PolarHBondContact O-NE1 2.71Å
174N95.4Very high94.5Very high42 Ų4243.6 Ų43.623%0.22523%0.233CC..Hα-helixtrans-71.4-29.8175.3-87.5-90000112.9I56 N58 Y61 I170 Q171 N176I56-N174 WeakPolarHBondContact CG2-OD1 3.43Å; N58-N174 PolarHBondContact ND2-OD1 3.34Å; Y61-N174 PolarHBondContact OH-O 3.01Å; I170-N174 VanDerWaalsContact CG2-ND2 3.29Å; I170-N174 WeakPolarHBondContact CG2-ND2 3.48Å; I170-N174 WeakPolarHBondContact O-CB 3.32Å; I170-N174 PolarHBondContact O-N 3.29Å; I170-N174 PolarHBondContact O-ND2 3.23Å; Q171-N174 PolarHBondContact O-N 3.15Å; N174-N176 PolarHBondContact O-N 3.03Å
175A91.8Very high93.2Very high80 Ų8048 Ų4866%0.66125%0.254SS*.Hα-helixtrans-75.5-14.7177.100000112.6Q171 A172Q171-A175 WeakPolarHBondContact O-CB 3.29Å; Q171-A175 PolarHBondContact O-N 3.26Å; A172-A175 PolarHBondContact O-N 2.84Å
176N93.3Very high91.4Very high13 Ų1351.3 Ų51.37%0.0729%0.289CS..SBendtrans-72.2152.9177.6-164.739.8000112.6Y61 E115 V116 A172 L173 N174 W178Y61-N176 PolarHBondContact OH-O 3.45Å; E115-N176 PolarHBondContact OE2-OD1 3.33Å; V116-N176 HydrophobicContact CG2-CB 3.86Å; A172-N176 PolarHBondContact O-N 3.43Å; L173-N176 WeakPolarHBondContact O-CB 3.27Å; L173-N176 PolarHBondContact O-N 3.46Å; N174-N176 PolarHBondContact O-N 3.03Å; N176-W178 HydrophobicContact CB-CZ2 3.96Å
177V89.6Confident89.2Confident23 Ų2353.5 Ų53.514%0.13930%0.298CS..  trans-101.586.2177.6-176.30000109.7V181 V198 R201V177-V181 HydrophobicContact CG1-CG1 4.37Å; V177-V198 HydrophobicContact CG1-CG2 3.63Å; V177-R201 PolarHBondContact O-NE 2.92Å; V177-R201 PolarHBondContact O-NH1 3.46Å
178W95.1Very high86.8Confident0 Ų050.4 Ų50.40%029%0.288CS..  trans-65.2147.6-174.3-60.492000113.4P13 V15 I56 A63 V65 Q85 A86 L173 N176 S180 V181P13-W178 HydrophobicContact CB-CE3 3.89Å; P13-W178 HydrophobicContact CB-CZ3 4.42Å; P13-W178 HydrophobicContact CG-CB 4.44Å; P13-W178 HydrophobicContact CG-CE3 4.12Å; V15-W178 HydrophobicContact CG2-CH2 3.61Å; V15-W178 HydrophobicContact CG2-CZ2 4.37Å; V15-W178 HydrophobicContact CG2-CZ3 4.22Å; I56-W178 HydrophobicContact CD1-CD2 4.39Å; I56-W178 HydrophobicContact CD1-CG 4.39Å; I56-W178 HydrophobicContact CD1-CZ2 4.18Å; A63-W178 HydrophobicContact CB-CB 3.83Å; A63-W178 HydrophobicContact CB-CG 4.13Å; V65-W178 HydrophobicContact CG1-CD2 4.4Å; V65-W178 HydrophobicContact CG1-CE3 3.93Å; V65-W178 HydrophobicContact CG1-CH2 4.11Å; V65-W178 HydrophobicContact CG1-CZ3 3.75Å; V65-W178 HydrophobicContact CG2-CB 4.41Å; V65-W178 HydrophobicContact CG2-CD2 3.63Å; V65-W178 HydrophobicContact CG2-CE3 3.84Å; V65-W178 HydrophobicContact CG2-CG 3.87Å; V65-W178 HydrophobicContact CG2-CZ3 4.45Å; Q85-W178 HydrophobicContact CB-CE3 4.19Å; Q85-W178 HydrophobicContact CB-CZ3 3.83Å; A86-W178 HydrophobicContact CB-CH2 3.75Å; A86-W178 HydrophobicContact CB-CZ3 4.42Å; L173-W178 HydrophobicContact CB-CZ2 4.28Å; L173-W178 HydrophobicContact CD2-CH2 4.11Å; L173-W178 HydrophobicContact CD2-CZ2 3.98Å; L173-W178 PolarHBondContact O-NE1 2.71Å; N176-W178 HydrophobicContact CB-CZ2 3.96Å; W178-S180 PolarHBondContact O-N 3.49Å; W178-V181 WeakPolarHBondContact O-CB 3.35Å; W178-V181 WeakPolarHBondContact O-CG1 3.39Å; W178-V181 PolarHBondContact O-N 3.42Å
179S93.4Very high84.5Confident51 Ų5156.8 Ų56.836%0.35732%0.321SS..THydrogen-bonded Turntrans-65.2-17.5175.1620000114.1Q85Q85-S179 PolarHBondContact NE2-OG 3.39Å; Q85-S179 VanDerWaalsContact OE1-N 3.12Å
180S94.1Very high82.1Confident26 Ų2657.4 Ų57.418%0.18233%0.328CS..THydrogen-bonded Turntrans-96.616.2174.956.80000113P13 D64 W178P13-S180 VanDerWaalsContact CG-OG 3.25Å; P13-S180 WeakPolarHBondContact CG-OG 3.4Å; D64-S180 PolarHBondContact N-OG 2.92Å; D64-S180 VanDerWaalsContact O-CB 3.31Å; D64-S180 WeakPolarHBondContact O-CB 3.34Å; D64-S180 PolarHBondContact O-OG 3.04Å; W178-S180 PolarHBondContact O-N 3.49Å
181V93Very high80Confident10 Ų1056.8 Ų56.86%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-70.1130.6-176.369.10000112.1Y61 T62 V177 W178 V198Y61-V181 HydrophobicContact CD1-CG2 4.09Å; Y61-V181 HydrophobicContact CD2-CG2 3.51Å; Y61-V181 HydrophobicContact CE2-CG2 4.19Å; Y61-V181 HydrophobicContact CG-CG2 3.45Å; Y61-V181 VanDerWaalsContact CG-CG2 3.45Å; T62-V181 CarbonylContact O-C 3.47Å; T62-V181 WeakPolarHBondContact O-CA 3.42Å; V177-V181 HydrophobicContact CG1-CG1 4.37Å; W178-V181 WeakPolarHBondContact O-CB 3.35Å; W178-V181 WeakPolarHBondContact O-CG1 3.39Å; W178-V181 PolarHBondContact O-N 3.42Å; V181-V198 HydrophobicContact CG1-CB 4.09Å; V181-V198 HydrophobicContact CG1-CG1 3.39Å; V181-V198 HydrophobicContact CG1-CG2 3.52Å; V181-V198 HydrophobicContact CG2-CG2 4.33Å
182E92Very high78.1Confident137 Ų13755.1 Ų55.164%0.6433%0.328SS*.EExtended strand (participates in β ladder)trans-121.8115.9173.7-65.3-176.7173.700108.5Y61 T62Y61-E182 CarbonylContact C-O 2.98Å; Y61-E182 VanDerWaalsContact CA-O 3.28Å; Y61-E182 WeakPolarHBondContact CA-O 3.48Å; Y61-E182 WeakPolarHBondContact CB-O 3.37Å; T62-E182 PolarHBondContact N-O 2.97Å; T62-E182 PolarHBondContact O-N 2.92Å
183M87.5Confident76.2Confident42 Ų4256.8 Ų56.821%0.20734%0.335CS..EExtended strand (participates in β ladder)trans-72.6141-179.7-73.5-68.5175.400111D185 M194 V198M183-D185 PolarHBondContact O-N 2.91Å; M183-M194 HydrophobicContact CE-CB 3.95Å; M183-V198 HydrophobicContact CE-CB 4.3Å; M183-V198 HydrophobicContact CE-CG2 3.34Å
184K87.3Confident74.2Confident68 Ų6859.9 Ų59.930%0.29635%0.35SS..  trans-81.4119.7177.6-68.4179.5177179.20110.6N57 N58 Y60 G186 H187N57-K184 VanDerWaalsContact OD1-CE 3.3Å; N57-K184 WeakPolarHBondContact OD1-CE 3.49Å; N57-K184 PolarHBondContact OD1-NZ 3.15Å; N58-K184 WeakPolarHBondContact O-CE 3.39Å; N58-K184 PolarHBondContact O-NZ 3.12Å; Y60-K184 PolarHBondContact O-N 2.88Å; K184-G186 PolarHBondContact O-N 3.2Å; K184-H187 PolarHBondContact O-N 2.77Å; K184-H187 VanDerWaalsContact O-N 3.1Å
185D68.4Low72.5Confident142 Ų14259.6 Ų59.676%0.75935%0.351SS*.THydrogen-bonded Turntrans-56.6-18.2-174.8-69-45.5000115.7M183M183-D185 PolarHBondContact O-N 2.91Å
186G58.3Low71.1Confident75 Ų7557.9 Ų57.977%0.77334%0.335SS*.THydrogen-bonded Turntrans-81.4-12.917900000115.8K184K184-G186 PolarHBondContact O-N 3.2Å
187H52.8Low69.6Low66 Ų6661.6 Ų61.631%0.30635%0.354SS..SBendtrans-108.25.6178.7-76.173.3000113K59 K184 Q189 G190K59-H187 WeakPolarHBondContact CE-NE2 3.23Å; K59-H187 WeakPolarHBondContact CG-NE2 3.45Å; K184-H187 PolarHBondContact O-N 2.77Å; K184-H187 VanDerWaalsContact O-N 3.1Å; H187-Q189 PolarHBondContact O-N 3.02Å; H187-Q189 VanDerWaalsContact O-N 3.17Å; H187-G190 PolarHBondContact O-N 2.9Å
188N45.9Very low68.3Low75 Ų7561.1 Ų61.140%0.40135%0.351SS..THydrogen-bonded Turntrans-69.1-9.5-175-90.2-17.4000115.1S195N188-S195 PolarHBondContact OD1-OG 3.13Å
189Q49.4Very low66.6Low206 Ų20663.7 Ų63.796%0.96337%0.372SS*.THydrogen-bonded Turntrans-85.2-12.6176.1-63.8-172.818.700112.9H187H187-Q189 PolarHBondContact O-N 3.02Å; H187-Q189 VanDerWaalsContact O-N 3.17Å
190G48.1Very low65Low14 Ų1465 Ų6514%0.14438%0.381CS..SBendtrans-128.67-169.200000116.3H187 I305 G306H187-G190 PolarHBondContact O-N 2.9Å; G190-I305 CarbonylContact O-C 3.42Å; G190-G306 CarbonylContact C-O 3.55Å; G190-G306 WeakPolarHBondContact CA-O 3.34Å; G190-G306 CarbonylContact O-C 3.39Å; G190-G306 WeakPolarHBondContact O-CA 3.44Å
191F53.5Low63.3Low31 Ų3168.1 Ų68.114%0.13639%0.389CS..  trans-147.343.5-179.6-67.8-78.5000112.7Y60 L193 M194 S195Y60-F191 HydrophobicContact CD1-CD2 4.22Å; Y60-F191 HydrophobicContact CD1-CE2 4.25Å; Y60-F191 HydrophobicContact CE1-CD1 4.49Å; Y60-F191 HydrophobicContact CE1-CD2 4.15Å; Y60-F191 HydrophobicContact CE1-CE1 4.1Å; Y60-F191 AromaticContact CE1-CE2 3.75Å; Y60-F191 HydrophobicContact CE1-CE2 3.75Å; Y60-F191 AromaticContact CE1-CZ 3.72Å; Y60-F191 HydrophobicContact CE1-CZ 3.72Å; F191-L193 PolarHBondContact O-N 2.78Å; F191-M194 HydrophobicContact CB-CB 4.4Å; F191-M194 HydrophobicContact CB-CG 4.48Å; F191-M194 PolarHBondContact O-N 2.94Å; F191-S195 PolarHBondContact O-N 3.44Å
192G55.7Low61.5Low46 Ų4673.3 Ų73.347%0.47441%0.412SS..Hα-helixtrans-52.5-29-177.200000114.6S196G192-S196 WeakPolarHBondContact O-CB 3.46Å; G192-S196 PolarHBondContact O-N 3.18Å; G192-S196 VanDerWaalsContact O-N 3.14Å; G192-S196 PolarHBondContact O-OG 2.91Å
193L57.8Low59.2Low46 Ų4673.5 Ų73.524%0.24142%0.418CS..Hα-helixtrans-66.7-40.8175.8-65.6172.6000113F191 S196 L197 A263 I305F191-L193 PolarHBondContact O-N 2.78Å; L193-S196 PolarHBondContact O-N 3.33Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.48Å; L193-A263 HydrophobicContact CD2-CB 4.31Å; L193-I305 HydrophobicContact CD1-CG2 4.13Å
194M56.8Low56.7Low65 Ų6577.5 Ų77.532%0.3244%0.44SS..Hα-helixtrans-70.2-43-179.3-70.2-66-75.600111.5M183 F191 S196 L197 V198M183-M194 HydrophobicContact CE-CB 3.95Å; F191-M194 HydrophobicContact CB-CB 4.4Å; F191-M194 HydrophobicContact CB-CG 4.48Å; F191-M194 PolarHBondContact O-N 2.94Å; M194-S196 PolarHBondContact O-N 2.94Å; M194-L197 PolarHBondContact O-N 3.37Å; M194-L197 HydrophobicContact SD-CD1 4.11Å; M194-V198 WeakPolarHBondContact O-CG2 3.49Å; M194-V198 PolarHBondContact O-N 3.33Å
195S59.2Low54.4Low36 Ų3679.6 Ų79.625%0.25246%0.46SS..Hα-helixtrans-59.3-34.4172.5-71.70000111.8N188 F191 A199N188-S195 PolarHBondContact OD1-OG 3.13Å; F191-S195 PolarHBondContact O-N 3.44Å; S195-A199 WeakPolarHBondContact O-CB 3.39Å; S195-A199 PolarHBondContact O-N 3.46Å
196S61.4Low53Low44 Ų4484 Ų8431%0.30847%0.466SS..Hα-helixtrans-73.7-38.9177.4-58.30000113.2G192 L193 M194 V198 A199 S200G192-S196 WeakPolarHBondContact O-CB 3.46Å; G192-S196 PolarHBondContact O-N 3.18Å; G192-S196 VanDerWaalsContact O-N 3.14Å; G192-S196 PolarHBondContact O-OG 2.91Å; L193-S196 PolarHBondContact O-N 3.33Å; M194-S196 PolarHBondContact O-N 2.94Å; S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 2.9Å; S196-A199 PolarHBondContact O-N 3.37Å; S196-S200 WeakPolarHBondContact O-CB 3.29Å; S196-S200 PolarHBondContact O-N 2.93Å; S196-S200 PolarHBondContact O-OG 2.82Å
197L62.4Low51.7Low91 Ų9188 Ų8848%0.47647%0.465SS..Hα-helixtrans-61.3-41.4172.4-71.1171.8000111.4L193 M194 S200 R201L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.48Å; M194-L197 PolarHBondContact O-N 3.37Å; M194-L197 HydrophobicContact SD-CD1 4.11Å; L197-S200 PolarHBondContact O-N 3.45Å; L197-R201 PolarHBondContact O-N 2.8Å
198V61.3Low50.9Low13 Ų1390.1 Ų90.18%0.07949%0.487CS..Hα-helixtrans-64.7-46.6173.5169.40000111.9V177 V181 M183 M194 S196 S200 R201 H202V177-V198 HydrophobicContact CG1-CG2 3.63Å; V181-V198 HydrophobicContact CG1-CB 4.09Å; V181-V198 HydrophobicContact CG1-CG1 3.39Å; V181-V198 HydrophobicContact CG1-CG2 3.52Å; V181-V198 HydrophobicContact CG2-CG2 4.33Å; M183-V198 HydrophobicContact CE-CB 4.3Å; M183-V198 HydrophobicContact CE-CG2 3.34Å; M194-V198 WeakPolarHBondContact O-CG2 3.49Å; M194-V198 PolarHBondContact O-N 3.33Å; S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 2.9Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.41Å; V198-R201 PolarHBondContact O-N 3.21Å; V198-R201 VanDerWaalsContact O-N 3.16Å; V198-H202 PolarHBondContact O-N 3.45Å; V198-H202 PolarHBondContact O-ND1 2.75Å
199A59.6Low50.3Low53 Ų5394.9 Ų94.944%0.43851%0.507SS..Hα-helixtrans-61.3-36.8179.100000111.8S195 S196 R201 H202 N203S195-A199 WeakPolarHBondContact O-CB 3.39Å; S195-A199 PolarHBondContact O-N 3.46Å; S196-A199 PolarHBondContact O-N 3.37Å; A199-R201 VanDerWaalsContact C-N 3.28Å; A199-R201 PolarHBondContact O-N 3.31Å; A199-H202 PolarHBondContact O-N 3.44Å; A199-N203 PolarHBondContact O-N 3.07Å
200S59.9Low49.4Very low79 Ų7992.5 Ų92.555%0.55250%0.501SS*.Hα-helixtrans-63.2-30.9177.2-60.50000113S196 L197 V198S196-S200 WeakPolarHBondContact O-CB 3.29Å; S196-S200 PolarHBondContact O-N 2.93Å; S196-S200 PolarHBondContact O-OG 2.82Å; L197-S200 PolarHBondContact O-N 3.45Å; V198-S200 VanDerWaalsContact C-N 3.26Å; V198-S200 PolarHBondContact O-N 3.41Å
201R58.8Low48.7Very low92 Ų9297.7 Ų97.735%0.34753%0.532SS..Hα-helixtrans-70.9-39.1174.5-71.6-167.5-178.1-144.3-4.5113.3E115 V177 L197 V198 A199 N203E115-R201 VanDerWaalsContact CD-CZ 3.47Å; E115-R201 IonicContact OE1-CZ 2.71Å; E115-R201 IonicContact OE1-NH1 2.75Å; E115-R201 PolarHBondContact OE1-NH1 2.92Å; E115-R201 IonicContact OE1-NH2 3.46Å; E115-R201 PolarHBondContact OE1-NH2 3.33Å; E115-R201 IonicContact OE2-CZ 3.76Å; E115-R201 IonicContact OE2-NH1 3.62Å; E115-R201 PolarHBondContact OE2-NH1 3.43Å; E115-R201 IonicContact OE2-NH2 3.07Å; E115-R201 PolarHBondContact OE2-NH2 3.48Å; V177-R201 PolarHBondContact O-NE 2.92Å; V177-R201 PolarHBondContact O-NH1 3.46Å; L197-R201 PolarHBondContact O-N 2.8Å; V198-R201 PolarHBondContact O-N 3.21Å; V198-R201 VanDerWaalsContact O-N 3.16Å; A199-R201 VanDerWaalsContact C-N 3.28Å; A199-R201 PolarHBondContact O-N 3.31Å; R201-N203 VanDerWaalsContact C-N 3.25Å; R201-N203 PolarHBondContact O-N 2.88Å
202H54.6Low47.6Very low118 Ų118102.2 Ų102.255%0.54656%0.564SS.*Hα-helixtrans-72.2-21.9-179-69.383.4000112.5V198 A199V198-H202 PolarHBondContact O-N 3.45Å; V198-H202 PolarHBondContact O-ND1 2.75Å; A199-H202 PolarHBondContact O-N 3.44Å
203N44.8Very low46.3Very low141 Ų141105.6 Ų105.675%0.75458%0.581SS**THydrogen-bonded Turntrans-97.92.9-173.8-109.32.8000115.6A199 R201 P205A199-N203 PolarHBondContact O-N 3.07Å; R201-N203 VanDerWaalsContact C-N 3.25Å; R201-N203 PolarHBondContact O-N 2.88Å; N203-P205 VanDerWaalsContact C-CD 3.46Å; N203-P205 WeakPolarHBondContact O-CD 3.38Å
204N35.4Very low45.1Very low127 Ų127108.9 Ų108.968%0.67961%0.607SS**  trans-110.381.9-173.9-150.88.1000113.4R206N204-R206 PolarHBondContact O-N 2.66Å
205P38.2Very low43.6Very low111 Ų111111.3 Ų111.372%0.72163%0.631SS**  trans-69.9110.9157.428-25.1000107.4N203 H207N203-P205 VanDerWaalsContact C-CD 3.46Å; N203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-H207 PolarHBondContact O-N 2.96Å
206R38.8Very low42.5Very low234 Ų234117.5 Ų117.588%0.88366%0.66SS**  trans-37.3104.8175.9-78.8179.6168.9-178.9-3.2111.2N204N204-R206 PolarHBondContact O-N 2.66Å
207H30.1Very low41Very low161 Ų161121 Ų12175%0.74568%0.682SS**  trans-124.9104.5163.5-148.3-27.3000109.4P205 Q209P205-H207 PolarHBondContact O-N 2.96Å; H207-Q209 PolarHBondContact O-N 3.2Å
208S37.7Very low39.4Very low110 Ų110121.4 Ų121.477%0.76970%0.699SS**  trans-62.4111.5173.2-32.20000109.5
209Q32Very low38.1Very low175 Ų175130 Ų13082%0.81874%0.738SS**  trans-146.1125155.1-70.3-157.2-4.600109.8H207H207-Q209 PolarHBondContact O-N 3.2Å
210D30.7Very low36.5Very low156 Ų156131.3 Ų131.383%0.83476%0.757SS**PPolyproline II helixtrans-58.4144.5178-62.7-57.2000112.4
211P33.2Very low34.9Very low122 Ų122133.1 Ų133.179%0.79277%0.765SS**PPolyproline II helixtrans-80.3134.4173.229.7-29.6000111.5
212P30.8Very low33.6Very low126 Ų126136.8 Ų136.882%0.81879%0.785SS**PPolyproline II helixtrans-80.2131.9169.531.2-30.7000111.8
213S29.5Very low32.2Very low118 Ų118137.6 Ų137.683%0.82580%0.799SS**  trans-11134.2165.7-47.60000120.5
214S31.8Very low31.6Very low114 Ų114138.6 Ų138.680%0.79780%0.804SS**  trans-49.6143.6165.660.50000115.4
215S26.1Very low31.3Very low117 Ų117141.8 Ų141.882%0.81882%0.815SS**  trans-130.2109.6158.358.30000110.9
216L35Very low31Very low166 Ų166145.8 Ų145.887%0.86982%0.824SS**  trans-82.3153.9165.3-71.6160.5000110.6
217P30.3Very low30.5Very low118 Ų118138.8 Ų138.877%0.76682%0.817SS**  trans-122.7119.114228.3-13.4000109.8
218A27.7Very low30.3Very low99 Ų99138.4 Ų138.482%0.81882%0.82SS**  92.3127.772.700000113.4
219E35Very low30.2Very low192 Ų192141.1 Ų141.190%0.89782%0.82SS**  trans-55.5154.4-167.5-74.5161.1112.300118.2
220G25.9Very low30Very low82 Ų82139.7 Ų139.785%0.84582%0.823SS**  trans-135.595.6162.800000112.5
221T25.3Very low30.2Very low116 Ų116139.1 Ų139.171%0.71282%0.821SS**  trans-41.1128.9172-52.20000118.4
222H32.5Very low30Very low169 Ų169141.4 Ų141.478%0.78283%0.826SS**  trans42.6135.7144.1-61-103.7000123.2
223T25.7Very low30.3Very low136 Ų136141 Ų14183%0.83483%0.826SS**  -163.3128.4113.840.30000112.1
224N32.4Very low30.6Very low162 Ų162139.8 Ų139.887%0.86682%0.823SS**  trans-81.4135.6161.5-83.3-16000109.3
225E29.2Very low30.7Very low193 Ų193142 Ų14290%0.90283%0.826SS**  trans-136.9116.4155.3-73.6-167.6154.400109.7
226E31Very low31.2Very low195 Ų195140 Ų14091%0.91181%0.812SS**  trans-80.7139.7161.5-75.1179132.700109.4
227A28.3Very low31.4Very low88 Ų88139.4 Ų139.473%0.72781%0.81SS**  trans-170.4121.6135.600000113.6
228N26.2Very low31.7Very low153 Ų153140 Ų14082%0.81881%0.811SS**  trans75.8109.1139-67.2-19.6000122.5
229H35.3Very low32.2Very low167 Ų167142.5 Ų142.577%0.77381%0.806SS**  trans8.4127.8132-84.7-70.5000118.5
230T27.1Very low32.6Very low144 Ų144139.9 Ų139.988%0.88379%0.794SS**  -166.8134.8107.812.60000111.2
231D35.9Very low33.4Very low145 Ų145138.3 Ų138.378%0.77578%0.777SS**  trans-57.8138.3171.1-70.6-52.9000111.6
232N28.4Very low34.6Very low170 Ų170136.8 Ų136.891%0.90977%0.771SS**  trans-157.3125.2136.5-114.4-11000112.1
233S36.5Very low35.5Very low118 Ų118133.4 Ų133.483%0.82576%0.763SS**  trans-74.8131.7179.5-170.30000111.2
234A35.8Very low36.9Very low91 Ų91130.3 Ų130.375%0.75274%0.743SS**  trans150.4131.9135.500000112.6
235N35.5Very low38.2Very low161 Ų161126 Ų12686%0.86172%0.72SS**  trans7692.1171.6-78.93.1000118.4
236S35.7Very low39.8Very low74 Ų74119 Ų11952%0.51770%0.696SS.*  trans-132.211.6168.964.10000115.8
237D39.6Very low41.3Very low155 Ų155114.9 Ų114.983%0.82968%0.678SS**THydrogen-bonded Turntrans-89.1-3.3-175.2-74.2-20.2000114.9
238T36Very low43.2Very low130 Ų130111.4 Ų111.480%0.79865%0.647SS**THydrogen-bonded Turntrans-112.6-6.4-176.7-15.10000114.2
239Q38.1Very low45.4Very low151 Ų151107.9 Ų107.971%0.70663%0.629SS**THydrogen-bonded Turntrans-106.3-27.4-174.9-115.9163.2-33.300113.5V243Q239-V243 VanDerWaalsContact O-CG2 3.28Å; Q239-V243 WeakPolarHBondContact O-CG2 3.5Å; Q239-V243 PolarHBondContact O-N 2.88Å
240E44.9Very low47.3Very low138 Ų138105.6 Ų105.665%0.64562%0.621SS**Hα-helixtrans-69.2-40.2179-73-175.8162.500112.7S242 V243 V244E240-S242 VanDerWaalsContact C-N 3.28Å; E240-S242 PolarHBondContact O-N 3.26Å; E240-V243 PolarHBondContact O-N 3.41Å; E240-V244 WeakPolarHBondContact O-CG2 3.4Å; E240-V244 PolarHBondContact O-N 3.28Å
241G42.4Very low49.5Very low48 Ų4899.2 Ų99.250%0.49558%0.582SS.*Hα-helixtrans-62.6-30.517800000114.3V244 D245G241-V244 WeakPolarHBondContact O-CG2 3.11Å; G241-D245 WeakPolarHBondContact O-CB 3.3Å
242S49.4Very low51.3Low84 Ų8493.9 Ų93.959%0.58755%0.553SS**Hα-helixtrans-80.7-25.8179.2-176.70000113.2E240 A246E240-S242 VanDerWaalsContact C-N 3.28Å; E240-S242 PolarHBondContact O-N 3.26Å; S242-A246 PolarHBondContact O-N 3.04Å
243V52.6Low53.4Low99 Ų9991.8 Ų91.860%0.654%0.538SS*.Hα-helixtrans-85.3-37.5-177.4-1800000110.8Q239 E240 D245 M247Q239-V243 VanDerWaalsContact O-CG2 3.28Å; Q239-V243 WeakPolarHBondContact O-CG2 3.5Å; Q239-V243 PolarHBondContact O-N 2.88Å; E240-V243 PolarHBondContact O-N 3.41Å; V243-D245 VanDerWaalsContact C-N 3.3Å; V243-D245 PolarHBondContact O-N 3.02Å; V243-M247 WeakPolarHBondContact O-CB 3.48Å; V243-M247 PolarHBondContact O-N 3.44Å
244V53.7Low55.2Low71 Ų7190.4 Ų90.443%0.4352%0.518SS..Hα-helixtrans-65.5-35.5173.6-62.20000111.7E240 G241 M247 T248E240-V244 WeakPolarHBondContact O-CG2 3.4Å; E240-V244 PolarHBondContact O-N 3.28Å; G241-V244 WeakPolarHBondContact O-CG2 3.11Å; V244-M247 PolarHBondContact O-N 2.82Å; V244-T248 PolarHBondContact O-N 2.68Å; V244-T248 PolarHBondContact O-OG1 2.7Å
245D61Low56.8Low70 Ų7086 Ų8637%0.37448%0.482SS..Hα-helixtrans-67.9-47.4178.5-155.339.6000111.4G241 V243 M247 T248 D249 K296G241-D245 WeakPolarHBondContact O-CB 3.3Å; V243-D245 VanDerWaalsContact C-N 3.3Å; V243-D245 PolarHBondContact O-N 3.02Å; D245-M247 VanDerWaalsContact C-N 3.32Å; D245-M247 PolarHBondContact O-N 3.5Å; D245-T248 WeakPolarHBondContact O-CB 3.22Å; D245-T248 PolarHBondContact O-N 2.88Å; D245-T248 VanDerWaalsContact O-N 3.14Å; D245-D249 PolarHBondContact O-N 2.63Å; D245-K296 IonicContact OD1-NZ 2.8Å; D245-K296 PolarHBondContact OD1-NZ 3.38Å; D245-K296 IonicContact OD2-NZ 3.49Å
246A61.6Low58.4Low47 Ų4780.4 Ų80.439%0.38846%0.458SS..Hα-helixtrans-61.3-38.7175.600000112.6S242 T248 D249 L250S242-A246 PolarHBondContact O-N 3.04Å; A246-T248 VanDerWaalsContact C-N 3.32Å; A246-D249 PolarHBondContact O-N 3.33Å; A246-L250 WeakPolarHBondContact O-CD1 3.29Å; A246-L250 PolarHBondContact O-N 3.24Å
247M64.1Low60.1Low109 Ų10982 Ų8254%0.53746%0.461SS..Hα-helixtrans-67.6-34.8177.2-163.8173.1-169.300112V243 V244 D245 D251V243-M247 WeakPolarHBondContact O-CB 3.48Å; V243-M247 PolarHBondContact O-N 3.44Å; V244-M247 PolarHBondContact O-N 2.82Å; D245-M247 VanDerWaalsContact C-N 3.32Å; D245-M247 PolarHBondContact O-N 3.5Å; M247-D251 PolarHBondContact O-N 2.85Å; M247-D251 VanDerWaalsContact O-N 3.15Å
248T68.2Low61.4Low15 Ų1575.8 Ų75.89%0.09243%0.427CS..Hα-helixtrans-68.9-40.5175.4-49.30000110.8V244 D245 A246 L250 D251 I252V244-T248 PolarHBondContact O-N 2.68Å; V244-T248 PolarHBondContact O-OG1 2.7Å; D245-T248 WeakPolarHBondContact O-CB 3.22Å; D245-T248 PolarHBondContact O-N 2.88Å; D245-T248 VanDerWaalsContact O-N 3.14Å; A246-T248 VanDerWaalsContact C-N 3.32Å; T248-L250 PolarHBondContact O-N 3.23Å; T248-D251 PolarHBondContact O-N 3.34Å; T248-I252 HydrophobicContact CG2-CD1 4.04Å; T248-I252 WeakPolarHBondContact O-CB 3.44Å; T248-I252 VanDerWaalsContact O-CG1 3.25Å; T248-I252 WeakPolarHBondContact O-CG1 3.24Å; T248-I252 PolarHBondContact O-N 3.21Å
249D71.5Confident62.7Low79 Ų7971 Ų7142%0.42240%0.398SS..Hα-helixtrans-65.3-37.4176.5-71.8-12.6000112.4D245 A246 I252 Q253D245-D249 PolarHBondContact O-N 2.63Å; A246-D249 PolarHBondContact O-N 3.33Å; D249-I252 PolarHBondContact O-N 2.82Å; D249-Q253 WeakPolarHBondContact O-CB 3.47Å; D249-Q253 PolarHBondContact O-N 3.48Å
250L75.9Confident63.8Low118 Ų11868 Ų6862%0.61840%0.399SS*.Hα-helixtrans-63-44.1172.7-94.8118.3000112.1A246 T248 I252 Q253 E254A246-L250 WeakPolarHBondContact O-CD1 3.29Å; A246-L250 PolarHBondContact O-N 3.24Å; T248-L250 PolarHBondContact O-N 3.23Å; L250-I252 VanDerWaalsContact C-N 3.34Å; L250-Q253 PolarHBondContact O-N 3.03Å; L250-E254 PolarHBondContact O-N 3.5Å
251D73.3Confident64.5Low10 Ų1063.3 Ų63.35%0.05339%0.388CS..Hα-helixtrans-65.4-38.5177.4-70.8-25.7000111.4M247 T248 E254 L255 K274 M278 K281M247-D251 PolarHBondContact O-N 2.85Å; M247-D251 VanDerWaalsContact O-N 3.15Å; T248-D251 PolarHBondContact O-N 3.34Å; D251-E254 PolarHBondContact O-N 2.94Å; D251-L255 PolarHBondContact O-N 3.44Å; D251-K274 WeakPolarHBondContact OD1-CE 3.27Å; D251-K274 IonicContact OD1-NZ 2.6Å; D251-K274 PolarHBondContact OD1-NZ 3.4Å; D251-M278 HydrophobicContact CB-CE 3.8Å; D251-M278 HydrophobicContact CB-CG 4.1Å; D251-M278 HydrophobicContact CB-SD 3.98Å; D251-K281 IonicContact OD1-NZ 2.96Å; D251-K281 PolarHBondContact OD1-NZ 3.3Å; D251-K281 IonicContact OD2-NZ 2.87Å; D251-K281 PolarHBondContact OD2-NZ 3.07Å
252I73.9Confident65.2Low33 Ų3368.5 Ų68.517%0.16940%0.404CS..Hα-helixtrans-63.8-42.5174.6-74.7168.1000111.2T248 D249 L250 E254 L255 A256 M278 K296 A300T248-I252 HydrophobicContact CG2-CD1 4.04Å; T248-I252 WeakPolarHBondContact O-CB 3.44Å; T248-I252 VanDerWaalsContact O-CG1 3.25Å; T248-I252 WeakPolarHBondContact O-CG1 3.24Å; T248-I252 PolarHBondContact O-N 3.21Å; D249-I252 PolarHBondContact O-N 2.82Å; L250-I252 VanDerWaalsContact C-N 3.34Å; I252-E254 VanDerWaalsContact C-N 3.29Å; I252-E254 PolarHBondContact O-N 3.35Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.94Å; I252-A256 PolarHBondContact O-N 3.42Å; I252-M278 HydrophobicContact CG1-CE 3.98Å; I252-K296 HydrophobicContact CD1-CB 4.07Å; I252-A300 HydrophobicContact CB-CB 4.12Å; I252-A300 HydrophobicContact CD1-CB 4.17Å; I252-A300 HydrophobicContact CG1-CB 3.72Å; I252-A300 HydrophobicContact CG2-CB 3.51Å
253Q71.4Confident65.5Low126 Ų12666.7 Ų66.759%0.58940%0.395SS*.Hα-helixtrans-66.4-34177.4-169.2165.714.500111.9D249 L250 A256 N257D249-Q253 WeakPolarHBondContact O-CB 3.47Å; D249-Q253 PolarHBondContact O-N 3.48Å; L250-Q253 PolarHBondContact O-N 3.03Å; Q253-A256 PolarHBondContact O-N 3.29Å; Q253-N257 PolarHBondContact O-N 2.9Å; Q253-N257 VanDerWaalsContact O-N 3.08Å; Q253-N257 PolarHBondContact O-ND2 2.69Å
254E73.8Confident66Low89 Ų8966.3 Ų66.342%0.41639%0.389SS..Hα-helixtrans-65.6-43.1172.3-168.5175.4179.400111.8L250 D251 I252 A256 N257 L258 K274L250-E254 PolarHBondContact O-N 3.5Å; D251-E254 PolarHBondContact O-N 2.94Å; I252-E254 VanDerWaalsContact C-N 3.29Å; I252-E254 PolarHBondContact O-N 3.35Å; E254-A256 PolarHBondContact O-N 2.83Å; E254-N257 PolarHBondContact O-N 3.46Å; E254-L258 HydrophobicContact CG-CD1 4.24Å; E254-L258 VanDerWaalsContact O-CG 3.28Å; E254-L258 WeakPolarHBondContact O-CG 3.2Å; E254-L258 PolarHBondContact O-N 3.49Å; E254-K274 WeakPolarHBondContact OE2-CE 3.45Å; E254-K274 IonicContact OE2-NZ 3.28Å; E254-K274 PolarHBondContact OE2-NZ 2.83Å
255L71.3Confident66.3Low0 Ų066.4 Ų66.40%040%0.397CS..Hα-helixtrans-57.5-46.5173.5-74.3176.4000112.1D251 I252 N257 L258 T259 L271 K274 M278D251-L255 PolarHBondContact O-N 3.44Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.94Å; L255-N257 VanDerWaalsContact C-N 3.3Å; L255-N257 PolarHBondContact O-N 3.49Å; L255-L258 PolarHBondContact O-N 3.5Å; L255-T259 PolarHBondContact O-N 3.06Å; L255-T259 PolarHBondContact O-OG1 2.94Å; L255-L271 HydrophobicContact CD2-CD1 3.9Å; L255-L271 HydrophobicContact CD2-CG 4.38Å; L255-K274 HydrophobicContact CD2-CB 4.04Å; L255-K274 HydrophobicContact CD2-CG 3.91Å; L255-K274 HydrophobicContact CG-CG 4.26Å; L255-M278 HydrophobicContact CD1-CE 4.07Å; L255-M278 HydrophobicContact CD1-SD 3.45Å; L255-M278 WeakPolarHBondContact CD1-SD 3.43Å; L255-M278 HydrophobicContact CG-SD 4.04Å
256A68.6Low66.6Low42 Ų4267.5 Ų67.535%0.34740%0.403SS..Hα-helixtrans-63.4-35.9178.800000112.4I252 Q253 E254 T259 A260I252-A256 PolarHBondContact O-N 3.42Å; Q253-A256 PolarHBondContact O-N 3.29Å; E254-A256 PolarHBondContact O-N 2.83Å; A256-T259 PolarHBondContact O-N 3.04Å; A256-T259 PolarHBondContact O-OG1 3.14Å; A256-A260 VanDerWaalsContact O-CB 3.28Å; A256-A260 WeakPolarHBondContact O-CB 3.27Å; A256-A260 PolarHBondContact O-N 3.05Å
257N71Confident67.1Low109 Ų10966.3 Ų66.358%0.58339%0.39SS*.Hα-helixtrans-70.7-37.4176.2-70.5-24.6000112.3Q253 E254 L255 T259 G261Q253-N257 PolarHBondContact O-N 2.9Å; Q253-N257 VanDerWaalsContact O-N 3.08Å; Q253-N257 PolarHBondContact O-ND2 2.69Å; E254-N257 PolarHBondContact O-N 3.46Å; L255-N257 VanDerWaalsContact C-N 3.3Å; L255-N257 PolarHBondContact O-N 3.49Å; N257-T259 VanDerWaalsContact C-N 3.27Å; N257-T259 PolarHBondContact O-N 3.39Å; N257-G261 PolarHBondContact O-N 3.36Å
258L67.9Low67.3Low24 Ų2466 Ų6613%0.12639%0.386CS..Hα-helixtrans-67.1-29175.5-68169.2000111.3E254 L255 N267 R270 L271E254-L258 HydrophobicContact CG-CD1 4.24Å; E254-L258 VanDerWaalsContact O-CG 3.28Å; E254-L258 WeakPolarHBondContact O-CG 3.2Å; E254-L258 PolarHBondContact O-N 3.49Å; L255-L258 PolarHBondContact O-N 3.5Å; L258-N267 WeakPolarHBondContact CA-OD1 3.38Å; L258-N267 WeakPolarHBondContact CD2-OD1 3.32Å; L258-N267 VanDerWaalsContact O-CG 3.26Å; L258-N267 PolarHBondContact O-ND2 3.23Å; L258-N267 PolarHBondContact O-OD1 3.42Å; L258-R270 HydrophobicContact CD1-CB 4.32Å; L258-R270 HydrophobicContact CD2-CB 4.06Å; L258-L271 HydrophobicContact CB-CD1 3.98Å
259T62.1Low67.7Low29 Ų2971.5 Ų71.518%0.17841%0.411CS..Hα-helixtrans-90.5-20.5177.162.40000115L255 A256 N257 L271 A304L255-T259 PolarHBondContact O-N 3.06Å; L255-T259 PolarHBondContact O-OG1 2.94Å; A256-T259 PolarHBondContact O-N 3.04Å; A256-T259 PolarHBondContact O-OG1 3.14Å; N257-T259 VanDerWaalsContact C-N 3.27Å; N257-T259 PolarHBondContact O-N 3.39Å; T259-L271 HydrophobicContact CG2-CD1 3.51Å; T259-A304 WeakPolarHBondContact CB-O 3.34Å; T259-A304 HydrophobicContact CG2-CB 3.65Å; T259-A304 WeakPolarHBondContact CG2-O 3.35Å; T259-A304 WeakPolarHBondContact OG1-CA 3.4Å; T259-A304 WeakPolarHBondContact OG1-CB 3.5Å; T259-A304 PolarHBondContact OG1-O 3.4Å
260A61.1Low68Low87 Ų8775 Ų7572%0.71942%0.418SS*.Hα-helixtrans-84.7-10.2177.200000114.3A256A256-A260 VanDerWaalsContact O-CB 3.28Å; A256-A260 WeakPolarHBondContact O-CB 3.27Å; A256-A260 PolarHBondContact O-N 3.05Å
261G60.5Low68Low41 Ų4169.8 Ų69.842%0.42339%0.391SS..SBendtrans-85176.9179.300000114.6N257 A263N257-G261 PolarHBondContact O-N 3.36Å; G261-A263 PolarHBondContact O-N 3.47Å
262D56.2Low68.1Low156 Ų15674.2 Ų74.283%0.83441%0.41SS*.  trans-62.9129.6173.4-147.34.4000109.2D264 N267D262-D264 VanDerWaalsContact C-N 3.34Å; D262-D264 PolarHBondContact O-N 3.37Å; D262-N267 PolarHBondContact O-ND2 3.32Å
263A56.3Low68.5Low47 Ų4776.4 Ų76.439%0.38843%0.425SS..  trans-82.577.4-171.300000110.6L193 G261L193-A263 HydrophobicContact CD2-CB 4.31Å; G261-A263 PolarHBondContact O-N 3.47Å
264D62.4Low68.8Low90 Ų9071.1 Ų71.148%0.48140%0.4SS..  trans-88160.416671.123.9000111.8D262 D266 N267 F268D262-D264 VanDerWaalsContact C-N 3.34Å; D262-D264 PolarHBondContact O-N 3.37Å; D264-D266 PolarHBondContact O-N 3.44Å; D264-D266 PolarHBondContact OD1-N 3.35Å; D264-N267 WeakPolarHBondContact O-CB 3.22Å; D264-N267 PolarHBondContact O-N 3.13Å; D264-N267 WeakPolarHBondContact OD1-CB 3.25Å; D264-N267 PolarHBondContact OD1-N 2.78Å; D264-F268 PolarHBondContact O-N 2.67Å
265A59.8Low69.1Low73 Ų7369.5 Ų69.560%0.60339%0.394SS*.Hα-helixtrans-59.8-32.3-178.100000112.3N267 F268 E269A265-N267 VanDerWaalsContact C-N 3.35Å; A265-F268 PolarHBondContact O-N 2.77Å; A265-E269 PolarHBondContact O-N 2.84Å
266D67.1Low69.6Low93 Ų9376.1 Ų76.150%0.49742%0.422SS..Hα-helixtrans-67.9-36.6179.4-64.1-18.3000111.4D264 R270D264-D266 PolarHBondContact O-N 3.44Å; D264-D266 PolarHBondContact OD1-N 3.35Å; D266-R270 WeakPolarHBondContact O-CB 3.45Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.47Å; D266-R270 PolarHBondContact O-N 3.19Å
267N72.3Confident70.2Confident22 Ų2278.3 Ų78.312%0.11843%0.426CS..Hα-helixtrans-67.8-37.1176.5-16830.3000111.6L258 D262 D264 A265 R270 L271L258-N267 WeakPolarHBondContact CA-OD1 3.38Å; L258-N267 WeakPolarHBondContact CD2-OD1 3.32Å; L258-N267 VanDerWaalsContact O-CG 3.26Å; L258-N267 PolarHBondContact O-ND2 3.23Å; L258-N267 PolarHBondContact O-OD1 3.42Å; D262-N267 PolarHBondContact O-ND2 3.32Å; D264-N267 WeakPolarHBondContact O-CB 3.22Å; D264-N267 PolarHBondContact O-N 3.13Å; D264-N267 WeakPolarHBondContact OD1-CB 3.25Å; D264-N267 PolarHBondContact OD1-N 2.78Å; A265-N267 VanDerWaalsContact C-N 3.35Å; N267-R270 PolarHBondContact O-N 3.28Å; N267-L271 PolarHBondContact O-N 2.91Å
268F69.1Low70.6Confident103 Ų10373.2 Ų73.245%0.45240%0.398SS..Hα-helixtrans-68.6-43.8174.2-172-97.7000112.5D264 A265 R270 L271 F272D264-F268 PolarHBondContact O-N 2.67Å; A265-F268 PolarHBondContact O-N 2.77Å; F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.29Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 3.06Å; F268-F272 HydrophobicContact CD1-CD2 4Å; F268-F272 HydrophobicContact CD1-CE2 4.15Å; F268-F272 HydrophobicContact CD2-CE2 4.23Å; F268-F272 AromaticContact CE1-CD2 3.69Å; F268-F272 HydrophobicContact CE1-CD2 3.69Å; F268-F272 AromaticContact CE1-CE2 3.45Å; F268-F272 HydrophobicContact CE1-CE2 3.45Å; F268-F272 VanDerWaalsContact CE1-CE2 3.45Å; F268-F272 HydrophobicContact CE1-CZ 4.33Å; F268-F272 HydrophobicContact CE2-CD2 4.25Å; F268-F272 AromaticContact CE2-CE2 3.56Å; F268-F272 HydrophobicContact CE2-CE2 3.56Å; F268-F272 HydrophobicContact CG-CD2 4.43Å; F268-F272 AromaticContact CZ-CD2 3.85Å; F268-F272 HydrophobicContact CZ-CD2 3.85Å; F268-F272 AromaticContact CZ-CE2 3.14Å; F268-F272 HydrophobicContact CZ-CE2 3.14Å; F268-F272 AromaticContact CZ-CZ 3.91Å; F268-F272 HydrophobicContact CZ-CZ 3.91Å; F268-F272 WeakPolarHBondContact O-CD2 3.43Å; F268-F272 PolarHBondContact O-N 2.82Å; F268-F272 VanDerWaalsContact O-N 3.14Å
269E77.3Confident71.3Confident130 Ų13079.4 Ų79.461%0.60742%0.424SS*.Hα-helixtrans-61.7-37.7174.6-74.4-171.7-178.100112.1A265 F272 T273A265-E269 PolarHBondContact O-N 2.84Å; E269-F272 PolarHBondContact O-N 2.94Å; E269-T273 WeakPolarHBondContact O-CB 3.33Å; E269-T273 PolarHBondContact O-N 3.32Å; E269-T273 PolarHBondContact O-OG1 2.89Å
270R76.4Confident72.2Confident153 Ų15382.4 Ų82.458%0.57744%0.439SS*.Hα-helixtrans-64.9-40.6174.3-74.4171.2-169.4175.19.1112.2L258 D266 N267 F268 F272 T273 K274L258-R270 HydrophobicContact CD1-CB 4.32Å; L258-R270 HydrophobicContact CD2-CB 4.06Å; D266-R270 WeakPolarHBondContact O-CB 3.45Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.47Å; D266-R270 PolarHBondContact O-N 3.19Å; N267-R270 PolarHBondContact O-N 3.28Å; F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.29Å; R270-F272 PolarHBondContact O-N 2.84Å; R270-T273 PolarHBondContact O-N 3.15Å; R270-K274 WeakPolarHBondContact O-CB 3.35Å; R270-K274 PolarHBondContact O-N 3.07Å
271L75.5Confident73.1Confident8 Ų881.3 Ų81.34%0.04242%0.418CS..Hα-helixtrans-57.8-48.3175-167.989.3000111.4L255 L258 T259 N267 F268 K274 L275 F301L255-L271 HydrophobicContact CD2-CD1 3.9Å; L255-L271 HydrophobicContact CD2-CG 4.38Å; L258-L271 HydrophobicContact CB-CD1 3.98Å; T259-L271 HydrophobicContact CG2-CD1 3.51Å; N267-L271 PolarHBondContact O-N 2.91Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 3.06Å; L271-K274 PolarHBondContact O-N 2.78Å; L271-L275 WeakPolarHBondContact O-CB 3.44Å; L271-L275 PolarHBondContact O-N 3.44Å; L271-F301 HydrophobicContact CD2-CE2 3.96Å
272F76.1Confident74Confident104 Ų10480 Ų8046%0.45640%0.403SS..Hα-helixtrans-69.3-35.8179.2-87.2-92000112.9F268 E269 R270 K274 L275 K276F268-F272 HydrophobicContact CD1-CD2 4Å; F268-F272 HydrophobicContact CD1-CE2 4.15Å; F268-F272 HydrophobicContact CD2-CE2 4.23Å; F268-F272 AromaticContact CE1-CD2 3.69Å; F268-F272 HydrophobicContact CE1-CD2 3.69Å; F268-F272 AromaticContact CE1-CE2 3.45Å; F268-F272 HydrophobicContact CE1-CE2 3.45Å; F268-F272 VanDerWaalsContact CE1-CE2 3.45Å; F268-F272 HydrophobicContact CE1-CZ 4.33Å; F268-F272 HydrophobicContact CE2-CD2 4.25Å; F268-F272 AromaticContact CE2-CE2 3.56Å; F268-F272 HydrophobicContact CE2-CE2 3.56Å; F268-F272 HydrophobicContact CG-CD2 4.43Å; F268-F272 AromaticContact CZ-CD2 3.85Å; F268-F272 HydrophobicContact CZ-CD2 3.85Å; F268-F272 AromaticContact CZ-CE2 3.14Å; F268-F272 HydrophobicContact CZ-CE2 3.14Å; F268-F272 AromaticContact CZ-CZ 3.91Å; F268-F272 HydrophobicContact CZ-CZ 3.91Å; F268-F272 WeakPolarHBondContact O-CD2 3.43Å; F268-F272 PolarHBondContact O-N 2.82Å; F268-F272 VanDerWaalsContact O-N 3.14Å; E269-F272 PolarHBondContact O-N 2.94Å; R270-F272 PolarHBondContact O-N 2.84Å; F272-K274 VanDerWaalsContact C-N 3.33Å; F272-L275 PolarHBondContact O-N 2.91Å; F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 PolarHBondContact O-N 3.44Å
273T81.6Confident75Confident79 Ų7976.2 Ų76.249%0.48539%0.389SS..Hα-helixtrans-61-45.3172.7-58.10000110.3E269 R270 K276 E277E269-T273 WeakPolarHBondContact O-CB 3.33Å; E269-T273 PolarHBondContact O-N 3.32Å; E269-T273 PolarHBondContact O-OG1 2.89Å; R270-T273 PolarHBondContact O-N 3.15Å; T273-K276 WeakPolarHBondContact O-CB 3.38Å; T273-K276 PolarHBondContact O-N 3.24Å; T273-E277 WeakPolarHBondContact O-CG 3.48Å; T273-E277 PolarHBondContact O-N 2.86Å
274K79Confident76.1Confident15 Ų1578.6 Ų78.67%0.06540%0.403CS..Hα-helixtrans-65.7-42.2178.4-166.771.8-170.7-176.20112.7D251 E254 L255 R270 L271 F272 K276 E277 M278D251-K274 WeakPolarHBondContact OD1-CE 3.27Å; D251-K274 IonicContact OD1-NZ 2.6Å; D251-K274 PolarHBondContact OD1-NZ 3.4Å; E254-K274 WeakPolarHBondContact OE2-CE 3.45Å; E254-K274 IonicContact OE2-NZ 3.28Å; E254-K274 PolarHBondContact OE2-NZ 2.83Å; L255-K274 HydrophobicContact CD2-CB 4.04Å; L255-K274 HydrophobicContact CD2-CG 3.91Å; L255-K274 HydrophobicContact CG-CG 4.26Å; R270-K274 WeakPolarHBondContact O-CB 3.35Å; R270-K274 PolarHBondContact O-N 3.07Å; L271-K274 PolarHBondContact O-N 2.78Å; F272-K274 VanDerWaalsContact C-N 3.33Å; K274-K276 VanDerWaalsContact C-N 3.28Å; K274-K276 PolarHBondContact O-N 2.62Å; K274-E277 IonicContact NZ-OE2 2.66Å; K274-E277 WeakPolarHBondContact O-CB 3.44Å; K274-E277 PolarHBondContact O-N 3.01Å; K274-M278 HydrophobicContact CG-SD 4.44Å; K274-M278 WeakPolarHBondContact O-CG 3.41Å; K274-M278 PolarHBondContact O-N 3.37Å
275L80.4Confident76.8Confident55 Ų5575.8 Ų75.829%0.28839%0.388SS..Hα-helixtrans-60.6-39.5175.7-165.875.9000111.6L271 F272 M278 K279 V297 F301L271-L275 WeakPolarHBondContact O-CB 3.44Å; L271-L275 PolarHBondContact O-N 3.44Å; F272-L275 PolarHBondContact O-N 2.91Å; L275-M278 PolarHBondContact O-N 3.3Å; L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 PolarHBondContact O-N 3.1Å; L275-V297 HydrophobicContact CD1-CG1 4.26Å; L275-F301 HydrophobicContact CD1-CD2 4.03Å; L275-F301 HydrophobicContact CD1-CE2 4.38Å
276K81.1Confident77.8Confident138 Ų13876 Ų7660%0.638%0.383SS*.Hα-helixtrans-63.8-45.1174.8-174.4-178.2176.6-175.30111.8F272 T273 K274 M278 K279 D280F272-K276 WeakPolarHBondContact O-CB 3.48Å; F272-K276 PolarHBondContact O-N 3.44Å; T273-K276 WeakPolarHBondContact O-CB 3.38Å; T273-K276 PolarHBondContact O-N 3.24Å; K274-K276 VanDerWaalsContact C-N 3.28Å; K274-K276 PolarHBondContact O-N 2.62Å; K276-M278 VanDerWaalsContact C-N 3.34Å; K276-M278 PolarHBondContact O-N 3.3Å; K276-K279 WeakPolarHBondContact O-CB 3.46Å; K276-K279 PolarHBondContact O-N 3.27Å; K276-D280 PolarHBondContact O-N 3.23Å
277E81.6Confident78Confident89 Ų8978.5 Ų78.542%0.41639%0.391SS..Hα-helixtrans-59.6-43.6175.7-71.1176.2179.300112.2T273 K274 D280 K281T273-E277 WeakPolarHBondContact O-CG 3.48Å; T273-E277 PolarHBondContact O-N 2.86Å; K274-E277 IonicContact NZ-OE2 2.66Å; K274-E277 WeakPolarHBondContact O-CB 3.44Å; K274-E277 PolarHBondContact O-N 3.01Å; E277-D280 PolarHBondContact O-N 3.39Å; E277-K281 WeakPolarHBondContact O-CG 3.42Å; E277-K281 PolarHBondContact O-N 3.2Å
278M79.5Confident78Confident1 Ų182.9 Ų82.91%0.00541%0.411CS..Hα-helixtrans-66.7-36.6177.9-67.2176.284.500112.2D251 I252 L255 K274 L275 K276 K281 A282 H293 V297D251-M278 HydrophobicContact CB-CE 3.8Å; D251-M278 HydrophobicContact CB-CG 4.1Å; D251-M278 HydrophobicContact CB-SD 3.98Å; I252-M278 HydrophobicContact CG1-CE 3.98Å; L255-M278 HydrophobicContact CD1-CE 4.07Å; L255-M278 HydrophobicContact CD1-SD 3.45Å; L255-M278 WeakPolarHBondContact CD1-SD 3.43Å; L255-M278 HydrophobicContact CG-SD 4.04Å; K274-M278 HydrophobicContact CG-SD 4.44Å; K274-M278 WeakPolarHBondContact O-CG 3.41Å; K274-M278 PolarHBondContact O-N 3.37Å; L275-M278 PolarHBondContact O-N 3.3Å; K276-M278 VanDerWaalsContact C-N 3.34Å; K276-M278 PolarHBondContact O-N 3.3Å; M278-K281 PolarHBondContact O-N 2.66Å; M278-A282 WeakPolarHBondContact O-CB 3.4Å; M278-A282 PolarHBondContact O-N 3.25Å; M278-H293 PolarHBondContact O-CE1 3.27Å; M278-V297 HydrophobicContact CE-CB 4.28Å; M278-V297 HydrophobicContact CE-CG1 4.09Å; M278-V297 HydrophobicContact CE-CG2 3.34Å; M278-V297 HydrophobicContact SD-CG1 4.44Å
279K82Confident78.3Confident155 Ų15582.8 Ų82.867%0.67441%0.412SS*.Hα-helixtrans-63.6-44.5172.7179.8-174.9173.9-178.80111.8L275 K276 K281 A282 S283L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 PolarHBondContact O-N 3.1Å; K276-K279 WeakPolarHBondContact O-CB 3.46Å; K276-K279 PolarHBondContact O-N 3.27Å; K279-K281 VanDerWaalsContact C-N 3.33Å; K279-K281 PolarHBondContact O-N 3.03Å; K279-A282 WeakPolarHBondContact O-CB 3.33Å; K279-A282 PolarHBondContact O-N 2.54Å; K279-S283 PolarHBondContact O-N 2.69Å
280D80.6Confident78.4Confident91 Ų9181.6 Ų81.649%0.48740%0.402SS..Hα-helixtrans-64.5-40.3179-70.8-17.6000110.6K276 E277 S283K276-D280 PolarHBondContact O-N 3.23Å; E277-D280 PolarHBondContact O-N 3.39Å; D280-S283 WeakPolarHBondContact O-CB 3.47Å; D280-S283 PolarHBondContact O-N 3.17Å; D280-S283 PolarHBondContact O-OG 2.86Å
281K79.8Confident78.4Confident64 Ų6478.2 Ų78.228%0.27839%0.391SS..Hα-helixtrans-60.5-46.3171.2-71176.6-170.4179.40112.2D251 E277 M278 K279 S283 S284D251-K281 IonicContact OD1-NZ 2.96Å; D251-K281 PolarHBondContact OD1-NZ 3.3Å; D251-K281 IonicContact OD2-NZ 2.87Å; D251-K281 PolarHBondContact OD2-NZ 3.07Å; E277-K281 WeakPolarHBondContact O-CG 3.42Å; E277-K281 PolarHBondContact O-N 3.2Å; M278-K281 PolarHBondContact O-N 2.66Å; K279-K281 VanDerWaalsContact C-N 3.33Å; K279-K281 PolarHBondContact O-N 3.03Å; K281-S283 PolarHBondContact O-N 3.29Å; K281-S284 PolarHBondContact O-N 3.39Å; K281-S284 PolarHBondContact O-OG 3.25Å
282A80.1Confident78.5Confident13 Ų1381.2 Ų81.211%0.10741%0.41CS..Hα-helixtrans-59.4-33.7177.800000112.8M278 K279 S284 L285 R290M278-A282 WeakPolarHBondContact O-CB 3.4Å; M278-A282 PolarHBondContact O-N 3.25Å; K279-A282 WeakPolarHBondContact O-CB 3.33Å; K279-A282 PolarHBondContact O-N 2.54Å; A282-S284 PolarHBondContact O-N 2.92Å; A282-L285 PolarHBondContact O-N 2.91Å; A282-L285 VanDerWaalsContact O-N 3.17Å; A282-R290 HydrophobicContact CB-CG 4.35Å; A282-R290 WeakPolarHBondContact O-CG 3.08Å; A282-R290 PolarHBondContact O-NE 3.34Å; A282-R290 VanDerWaalsContact O-NE 3.14Å
283S77.9Confident78.6Confident78 Ų7877 Ų7755%0.54539%0.391SS..Hα-helixtrans-64.2-26.3178.180.20000113.4K279 D280 K281 R290K279-S283 PolarHBondContact O-N 2.69Å; D280-S283 WeakPolarHBondContact O-CB 3.47Å; D280-S283 PolarHBondContact O-N 3.17Å; D280-S283 PolarHBondContact O-OG 2.86Å; K281-S283 PolarHBondContact O-N 3.29Å; S283-R290 PolarHBondContact O-NH2 3.19Å
284S77.9Confident78.5Confident96 Ų9675.7 Ų75.767%0.67139%0.389SS*.THydrogen-bonded Turntrans-81.9-12.6177.574.20000114K281 A282K281-S284 PolarHBondContact O-N 3.39Å; K281-S284 PolarHBondContact O-OG 3.25Å; A282-S284 PolarHBondContact O-N 2.92Å
285L77.9Confident78.6Confident32 Ų3277.8 Ų77.817%0.16840%0.399CS..SBendtrans-85.9148.8-178-65172.6000112.7A282 Q289 R290 H293A282-L285 PolarHBondContact O-N 2.91Å; A282-L285 VanDerWaalsContact O-N 3.17Å; L285-Q289 HydrophobicContact CB-CB 4.27Å; L285-R290 HydrophobicContact CB-CB 4.36Å; L285-R290 PolarHBondContact O-NE 3.21Å; L285-R290 PolarHBondContact O-NH2 3.25Å; L285-H293 HydrophobicContact CD1-CB 3.9Å
286P80.6Confident78.6Confident78 Ų7878.3 Ų78.351%0.50640%0.399SS..  trans-57.8155.9167.6-22.333.1000112.8E288 Q289 R290P286-E288 VanDerWaalsContact C-N 3.35Å; P286-E288 PolarHBondContact O-N 3.34Å; P286-Q289 PolarHBondContact O-N 2.84Å; P286-Q289 VanDerWaalsContact O-N 3.12Å; P286-R290 WeakPolarHBondContact O-CB 3.49Å; P286-R290 PolarHBondContact O-N 3.46Å
287H71.9Confident78.5Confident144 Ų14472.6 Ų72.667%0.66738%0.376SS*.Hα-helixtrans-50.9-47.6-172.6-175.475000114R290 K291H287-R290 WeakPolarHBondContact O-CB 3.35Å; H287-R290 PolarHBondContact O-N 3.11Å; H287-K291 PolarHBondContact O-N 3.3Å; H287-K291 VanDerWaalsContact O-N 3.08Å
288E71.9Confident78.5Confident115 Ų11571.2 Ų71.254%0.53738%0.379SS..Hα-helixtrans-64.1-43.2-178.9-156.258.6-142.500112.5P286 K291 V292P286-E288 VanDerWaalsContact C-N 3.35Å; P286-E288 PolarHBondContact O-N 3.34Å; E288-K291 PolarHBondContact O-N 2.58Å; E288-V292 PolarHBondContact O-N 2.95Å
289Q75.4Confident78.3Confident101 Ų10174.1 Ų74.147%0.47239%0.392SS..Hα-helixtrans-73.3-31.6178-67.4179.10.900112L285 P286 K291 V292 H293L285-Q289 HydrophobicContact CB-CB 4.27Å; P286-Q289 PolarHBondContact O-N 2.84Å; P286-Q289 VanDerWaalsContact O-N 3.12Å; Q289-K291 VanDerWaalsContact C-N 3.32Å; Q289-V292 PolarHBondContact O-N 3.44Å; Q289-H293 VanDerWaalsContact O-CB 3.29Å; Q289-H293 WeakPolarHBondContact O-CB 3.21Å; Q289-H293 PolarHBondContact O-N 3.01Å
290R78.4Confident77.7Confident105 Ų10567.1 Ų67.140%0.39636%0.363SS..Hα-helixtrans-65-37.3175.6-169.4-176.4-55156.44.7111.4A282 S283 L285 P286 H287 A294A282-R290 HydrophobicContact CB-CG 4.35Å; A282-R290 WeakPolarHBondContact O-CG 3.08Å; A282-R290 PolarHBondContact O-NE 3.34Å; A282-R290 VanDerWaalsContact O-NE 3.14Å; S283-R290 PolarHBondContact O-NH2 3.19Å; L285-R290 HydrophobicContact CB-CB 4.36Å; L285-R290 PolarHBondContact O-NE 3.21Å; L285-R290 PolarHBondContact O-NH2 3.25Å; P286-R290 WeakPolarHBondContact O-CB 3.49Å; P286-R290 PolarHBondContact O-N 3.46Å; H287-R290 WeakPolarHBondContact O-CB 3.35Å; H287-R290 PolarHBondContact O-N 3.11Å; R290-A294 VanDerWaalsContact O-CB 3.25Å; R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 2.8Å
291K77Confident77.3Confident81 Ų8165.5 Ų65.535%0.35235%0.352SS..Hα-helixtrans-62.6-50.9175.5-172.6-178.8175.3-170.20111.1H287 E288 Q289 H293 A294 E295 S317H287-K291 PolarHBondContact O-N 3.3Å; H287-K291 VanDerWaalsContact O-N 3.08Å; E288-K291 PolarHBondContact O-N 2.58Å; Q289-K291 VanDerWaalsContact C-N 3.32Å; K291-H293 PolarHBondContact O-N 3.15Å; K291-A294 PolarHBondContact O-N 2.8Å; K291-E295 PolarHBondContact O-N 3.16Å; K291-S317 WeakPolarHBondContact CE-OG 3.48Å; K291-S317 PolarHBondContact NZ-OG 3.47Å; K291-S317 VanDerWaalsContact NZ-OG 3.15Å
292V77.3Confident76.9Confident72 Ų7266.2 Ų66.244%0.43635%0.353SS..Hα-helixtrans-62.2-42.9177.4178.30000111.7E288 Q289 E295 K296E288-V292 PolarHBondContact O-N 2.95Å; Q289-V292 PolarHBondContact O-N 3.44Å; V292-E295 PolarHBondContact O-N 3.14Å; V292-K296 WeakPolarHBondContact O-CG 3.25Å; V292-K296 PolarHBondContact O-N 3.35Å
293H78.8Confident76.4Confident14 Ų1469.7 Ų69.77%0.06537%0.368CS..Hα-helixtrans-62.1-48175.8-179.4-76.4000111M278 L285 Q289 K291 E295 K296 V297M278-H293 PolarHBondContact O-CE1 3.27Å; L285-H293 HydrophobicContact CD1-CB 3.9Å; Q289-H293 VanDerWaalsContact O-CB 3.29Å; Q289-H293 WeakPolarHBondContact O-CB 3.21Å; Q289-H293 PolarHBondContact O-N 3.01Å; K291-H293 PolarHBondContact O-N 3.15Å; H293-E295 VanDerWaalsContact C-N 3.32Å; H293-E295 PolarHBondContact O-N 2.96Å; H293-K296 PolarHBondContact O-N 2.72Å; H293-V297 VanDerWaalsContact CE1-CG2 3.48Å; H293-V297 WeakPolarHBondContact CE1-CG2 3.42Å; H293-V297 VanDerWaalsContact O-CG2 3.27Å; H293-V297 WeakPolarHBondContact O-CG2 3.35Å; H293-V297 PolarHBondContact O-N 3.33Å
294A80.1Confident75.9Confident53 Ų5366.7 Ų66.744%0.43835%0.348SS..Hα-helixtrans-59.9-40.9177.900000112.3R290 K291 V297 A298R290-A294 VanDerWaalsContact O-CB 3.25Å; R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 2.8Å; K291-A294 PolarHBondContact O-N 2.8Å; A294-V297 PolarHBondContact O-N 3.36Å; A294-A298 WeakPolarHBondContact O-CB 3.09Å; A294-A298 PolarHBondContact O-N 3.14Å
295E80.6Confident75.3Confident58 Ų5863.9 Ų63.927%0.27133%0.325SS..Hα-helixtrans-61.1-48.4175.1-172.1-171.8158.600111.5K291 V292 H293 V297 A298 K299K291-E295 PolarHBondContact O-N 3.16Å; V292-E295 PolarHBondContact O-N 3.14Å; H293-E295 VanDerWaalsContact C-N 3.32Å; H293-E295 PolarHBondContact O-N 2.96Å; E295-V297 PolarHBondContact O-N 2.77Å; E295-A298 PolarHBondContact O-N 3.07Å; E295-K299 HydrophobicContact CG-CD 4.2Å; E295-K299 WeakPolarHBondContact O-CB 3.28Å; E295-K299 WeakPolarHBondContact O-CG 3.42Å; E295-K299 PolarHBondContact O-N 2.83Å; E295-K299 WeakPolarHBondContact OE1-CE 3.29Å; E295-K299 IonicContact OE1-NZ 2.69Å; E295-K299 PolarHBondContact OE1-NZ 2.8Å
296K79.3Confident74.5Confident66 Ų6663.4 Ų63.429%0.28733%0.327SS..Hα-helixtrans-60.3-44.9177.4-74.5-173.1174.9-160.60112.2D245 I252 V292 H293 A300D245-K296 IonicContact OD1-NZ 2.8Å; D245-K296 PolarHBondContact OD1-NZ 3.38Å; D245-K296 IonicContact OD2-NZ 3.49Å; I252-K296 HydrophobicContact CD1-CB 4.07Å; V292-K296 WeakPolarHBondContact O-CG 3.25Å; V292-K296 PolarHBondContact O-N 3.35Å; H293-K296 PolarHBondContact O-N 2.72Å; K296-A300 WeakPolarHBondContact O-CB 3.45Å; K296-A300 PolarHBondContact O-N 3.12Å
297V79.9Confident73.9Confident18 Ų1860 Ų6011%0.10931%0.307CS..Hα-helixtrans-66.2-41.7178.5177.60000111.4L275 M278 H293 A294 E295 A300 F301L275-V297 HydrophobicContact CD1-CG1 4.26Å; M278-V297 HydrophobicContact CE-CB 4.28Å; M278-V297 HydrophobicContact CE-CG1 4.09Å; M278-V297 HydrophobicContact CE-CG2 3.34Å; M278-V297 HydrophobicContact SD-CG1 4.44Å; H293-V297 VanDerWaalsContact CE1-CG2 3.48Å; H293-V297 WeakPolarHBondContact CE1-CG2 3.42Å; H293-V297 VanDerWaalsContact O-CG2 3.27Å; H293-V297 WeakPolarHBondContact O-CG2 3.35Å; H293-V297 PolarHBondContact O-N 3.33Å; A294-V297 PolarHBondContact O-N 3.36Å; E295-V297 PolarHBondContact O-N 2.77Å; V297-A300 PolarHBondContact O-N 3.46Å; V297-F301 VanDerWaalsContact O-CB 3.22Å; V297-F301 WeakPolarHBondContact O-CB 3.46Å; V297-F301 PolarHBondContact O-N 3.31Å
298A80.7Confident73.8Confident60 Ų6059 Ų5950%0.49630%0.303SS..Hα-helixtrans-64.9-45.2178.100000111.7A294 E295 F301 W302A294-A298 WeakPolarHBondContact O-CB 3.09Å; A294-A298 PolarHBondContact O-N 3.14Å; E295-A298 PolarHBondContact O-N 3.07Å; A298-F301 PolarHBondContact O-N 3.22Å; A298-W302 VanDerWaalsContact O-CB 3.29Å; A298-W302 WeakPolarHBondContact O-CB 3.28Å; A298-W302 PolarHBondContact O-N 3.3Å
299K75.5Confident73.4Confident63 Ų6360 Ų6027%0.27431%0.307SS..Hα-helixtrans-62.1-46.5175.1-73.2-179.3169.2172.10111.6E295 F301 W302 M303 I312E295-K299 HydrophobicContact CG-CD 4.2Å; E295-K299 WeakPolarHBondContact O-CB 3.28Å; E295-K299 WeakPolarHBondContact O-CG 3.42Å; E295-K299 PolarHBondContact O-N 2.83Å; E295-K299 WeakPolarHBondContact OE1-CE 3.29Å; E295-K299 IonicContact OE1-NZ 2.69Å; E295-K299 PolarHBondContact OE1-NZ 2.8Å; K299-F301 PolarHBondContact O-N 3.08Å; K299-W302 PolarHBondContact O-N 2.9Å; K299-M303 WeakPolarHBondContact O-CG 3.36Å; K299-M303 PolarHBondContact O-N 3.41Å; K299-I312 HydrophobicContact CB-CD1 3.98Å; K299-I312 HydrophobicContact CD-CD1 4.34Å; K299-I312 HydrophobicContact CG-CD1 3.86Å
300A70.9Confident73.1Confident8 Ų861.4 Ų61.47%0.06632%0.318CS..Hα-helixtrans-59.5-46.517600000112.1I252 K296 V297 M303 A304I252-A300 HydrophobicContact CB-CB 4.12Å; I252-A300 HydrophobicContact CD1-CB 4.17Å; I252-A300 HydrophobicContact CG1-CB 3.72Å; I252-A300 HydrophobicContact CG2-CB 3.51Å; K296-A300 WeakPolarHBondContact O-CB 3.45Å; K296-A300 PolarHBondContact O-N 3.12Å; V297-A300 PolarHBondContact O-N 3.46Å; A300-M303 PolarHBondContact O-N 2.94Å; A300-A304 WeakPolarHBondContact O-CB 3.21Å; A300-A304 PolarHBondContact O-N 3.46Å
301F71.6Confident72.5Confident57 Ų5760 Ų6025%0.2532%0.316CS..Hα-helixtrans-65-41.6178.5-172.2-98.1000111.6L271 L275 V297 A298 K299 A304 I305L271-F301 HydrophobicContact CD2-CE2 3.96Å; L275-F301 HydrophobicContact CD1-CD2 4.03Å; L275-F301 HydrophobicContact CD1-CE2 4.38Å; V297-F301 VanDerWaalsContact O-CB 3.22Å; V297-F301 WeakPolarHBondContact O-CB 3.46Å; V297-F301 PolarHBondContact O-N 3.31Å; A298-F301 PolarHBondContact O-N 3.22Å; K299-F301 PolarHBondContact O-N 3.08Å; F301-A304 PolarHBondContact O-N 3.44Å; F301-I305 HydrophobicContact CD1-CG2 4.31Å; F301-I305 HydrophobicContact CE1-CD1 4.33Å; F301-I305 HydrophobicContact CE1-CG2 3.89Å; F301-I305 HydrophobicContact CE2-CG2 4.37Å; F301-I305 HydrophobicContact CZ-CG2 3.92Å; F301-I305 WeakPolarHBondContact O-CG1 3.37Å; F301-I305 PolarHBondContact O-N 2.69Å
302W71.8Confident72.1Confident78 Ų7857.1 Ų57.130%0.29530%0.304SS..Hα-helixtrans-58.9-49.9175.1-174.8-110.9000111.9A298 K299 A304 I305 G306 G307 E311 I312A298-W302 VanDerWaalsContact O-CB 3.29Å; A298-W302 WeakPolarHBondContact O-CB 3.28Å; A298-W302 PolarHBondContact O-N 3.3Å; K299-W302 PolarHBondContact O-N 2.9Å; W302-A304 VanDerWaalsContact C-N 3.3Å; W302-A304 PolarHBondContact O-N 3.46Å; W302-I305 HydrophobicContact CE3-CD1 3.86Å; W302-I305 HydrophobicContact CE3-CG1 4.38Å; W302-I305 HydrophobicContact CZ3-CD1 4.06Å; W302-I305 VanDerWaalsContact O-CG1 3.24Å; W302-I305 WeakPolarHBondContact O-CG1 3.49Å; W302-I305 PolarHBondContact O-N 3.01Å; W302-G306 PolarHBondContact O-N 3.32Å; W302-G307 WeakPolarHBondContact O-CA 3.49Å; W302-G307 PolarHBondContact O-N 3.46Å; W302-E311 VanDerWaalsContact CZ2-OE2 3.28Å; W302-E311 WeakPolarHBondContact CZ2-OE2 3.44Å; W302-I312 HydrophobicContact CG-CG2 4.06Å
303M69.6Low71.2Confident87 Ų8760.2 Ų60.243%0.42932%0.318SS..Hα-helixtrans-63.1-37.3175-68.8-175.9-64.900111.9K299 A300 G306 I312K299-M303 WeakPolarHBondContact O-CG 3.36Å; K299-M303 PolarHBondContact O-N 3.41Å; A300-M303 PolarHBondContact O-N 2.94Å; M303-G306 VanDerWaalsContact O-CA 3.27Å; M303-G306 WeakPolarHBondContact O-CA 3.38Å; M303-G306 PolarHBondContact O-N 3.36Å; M303-I312 HydrophobicContact CG-CD1 4.24Å
304A66.6Low70.3Confident14 Ų1462.8 Ų62.812%0.11635%0.349CS..Hα-helixtrans-67.4-39.8-179.200000112T259 A300 F301 W302 G306T259-A304 WeakPolarHBondContact CB-O 3.34Å; T259-A304 HydrophobicContact CG2-CB 3.65Å; T259-A304 WeakPolarHBondContact CG2-O 3.35Å; T259-A304 WeakPolarHBondContact OG1-CA 3.4Å; T259-A304 WeakPolarHBondContact OG1-CB 3.5Å; T259-A304 PolarHBondContact OG1-O 3.4Å; A300-A304 WeakPolarHBondContact O-CB 3.21Å; A300-A304 PolarHBondContact O-N 3.46Å; F301-A304 PolarHBondContact O-N 3.44Å; W302-A304 VanDerWaalsContact C-N 3.3Å; W302-A304 PolarHBondContact O-N 3.46Å; A304-G306 PolarHBondContact O-N 3Å
305I65.2Low69.4Low38 Ų3866.4 Ų66.420%0.19536%0.36CS..THydrogen-bonded Turntrans-76-3.1172.268.6174.9000113G190 L193 F301 W302G190-I305 CarbonylContact O-C 3.42Å; L193-I305 HydrophobicContact CD1-CG2 4.13Å; F301-I305 HydrophobicContact CD1-CG2 4.31Å; F301-I305 HydrophobicContact CE1-CD1 4.33Å; F301-I305 HydrophobicContact CE1-CG2 3.89Å; F301-I305 HydrophobicContact CE2-CG2 4.37Å; F301-I305 HydrophobicContact CZ-CG2 3.92Å; F301-I305 WeakPolarHBondContact O-CG1 3.37Å; F301-I305 PolarHBondContact O-N 2.69Å; W302-I305 HydrophobicContact CE3-CD1 3.86Å; W302-I305 HydrophobicContact CE3-CG1 4.38Å; W302-I305 HydrophobicContact CZ3-CD1 4.06Å; W302-I305 VanDerWaalsContact O-CG1 3.24Å; W302-I305 WeakPolarHBondContact O-CG1 3.49Å; W302-I305 PolarHBondContact O-N 3.01Å
306G61.9Low68.3Low21 Ų2167.3 Ų67.322%0.21637%0.373CS..THydrogen-bonded Turntrans93.423.1170.700000115.7G190 W302 M303 A304G190-G306 CarbonylContact C-O 3.55Å; G190-G306 WeakPolarHBondContact CA-O 3.34Å; G190-G306 CarbonylContact O-C 3.39Å; G190-G306 WeakPolarHBondContact O-CA 3.44Å; W302-G306 PolarHBondContact O-N 3.32Å; M303-G306 VanDerWaalsContact O-CA 3.27Å; M303-G306 WeakPolarHBondContact O-CA 3.38Å; M303-G306 PolarHBondContact O-N 3.36Å; A304-G306 PolarHBondContact O-N 3Å
307G67.1Low67.2Low8 Ų867.1 Ų67.18%0.08238%0.38CS..  trans-63146164.700000112.4W302W302-G307 WeakPolarHBondContact O-CA 3.49Å; W302-G307 PolarHBondContact O-N 3.46Å
308E70.2Confident65.7Low122 Ų12269 Ų6957%0.5740%0.403SS*.  trans-79.3145.1-178.5-64.2179.7175.200111.1D310 E311E308-D310 PolarHBondContact O-N 3.2Å; E308-E311 HydrophobicContact CB-CG 4.26Å; E308-E311 WeakPolarHBondContact O-CB 3.32Å; E308-E311 PolarHBondContact O-N 3.35Å; E308-E311 VanDerWaalsContact O-N 3.11Å
309E63.9Low64.1Low136 Ų13674 Ų7464%0.63642%0.416SS*.G310 helixtrans-61.5-34.8178.4-165.5171.6-171.400111.3E311 I312 D313E309-E311 PolarHBondContact O-N 3.31Å; E309-I312 WeakPolarHBondContact O-CG1 3.16Å; E309-I312 PolarHBondContact O-N 3.4Å; E309-D313 PolarHBondContact O-N 3.15Å
310D68.9Low62.5Low130 Ų13078.7 Ų78.770%0.69544%0.444SS*.G310 helixtrans-62.4-24176.7-57.6-9.2000113.2E308 I312E308-D310 PolarHBondContact O-N 3.2Å; D310-I312 VanDerWaalsContact C-N 3.32Å
311E65.6Low60.8Low75 Ų7587.6 Ų87.635%0.3551%0.506SS..G310 helixtrans-79.5-16178-67.7-175.6151.300112.6K59 W302 E308 E309K59-E311 IonicContact NZ-OE1 2.67Å; K59-E311 PolarHBondContact NZ-OE1 3.23Å; W302-E311 VanDerWaalsContact CZ2-OE2 3.28Å; W302-E311 WeakPolarHBondContact CZ2-OE2 3.44Å; E308-E311 HydrophobicContact CB-CG 4.26Å; E308-E311 WeakPolarHBondContact O-CB 3.32Å; E308-E311 PolarHBondContact O-N 3.35Å; E308-E311 VanDerWaalsContact O-N 3.11Å; E309-E311 PolarHBondContact O-N 3.31Å
312I68.8Low60.2Low21 Ų2189.1 Ų89.111%0.10852%0.519CS..THydrogen-bonded Turntrans-114.6-8.4179.756169.4000113.3K299 W302 M303 E309 D310 G314 L315K299-I312 HydrophobicContact CB-CD1 3.98Å; K299-I312 HydrophobicContact CD-CD1 4.34Å; K299-I312 HydrophobicContact CG-CD1 3.86Å; W302-I312 HydrophobicContact CG-CG2 4.06Å; M303-I312 HydrophobicContact CG-CD1 4.24Å; E309-I312 WeakPolarHBondContact O-CG1 3.16Å; E309-I312 PolarHBondContact O-N 3.4Å; D310-I312 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 3.07Å; I312-L315 HydrophobicContact CG2-CD1 4.41Å; I312-L315 PolarHBondContact O-N 3.21Å
313D57.3Low59.6Low137 Ų13789.7 Ų89.773%0.73353%0.531SS*.THydrogen-bonded Turntrans-75111.5178.4-153.919.7000110.1E309E309-D313 PolarHBondContact O-N 3.15Å
314G61.2Low59.1Low69 Ų6989.8 Ų89.871%0.71154%0.536SS*.THydrogen-bonded Turntrans108.7-6.2-174.100000116I312 S316I312-G314 PolarHBondContact O-N 3.07Å; G314-S316 PolarHBondContact O-N 3.39Å
315L61.1Low58.6Low129 Ų12994.3 Ų94.368%0.67556%0.561SS**  trans-81.45.2171.1-63.3178.8000113.5I312 S317I312-L315 HydrophobicContact CG2-CD1 4.41Å; I312-L315 PolarHBondContact O-N 3.21Å; L315-S317 PolarHBondContact O-N 2.75Å
316S58Low58.2Low76 Ų7697.8 Ų97.853%0.53158%0.584SS.*  trans-57.9124.1174.4-177.70000108.7G314 G318G314-S316 PolarHBondContact O-N 3.39Å; S316-G318 PolarHBondContact O-N 3.05Å
317S55.5Low58Low62 Ų62102.9 Ų102.943%0.43461%0.608SS.*  trans-71.174.217065.60000108.7K291 L315 E319K291-S317 WeakPolarHBondContact CE-OG 3.48Å; K291-S317 PolarHBondContact NZ-OG 3.47Å; K291-S317 VanDerWaalsContact NZ-OG 3.15Å; L315-S317 PolarHBondContact O-N 2.75Å; S317-E319 PolarHBondContact O-N 2.96Å; S317-E319 VanDerWaalsContact O-N 3.08Å
318G47.8Very low57.3Low59 Ų59109.7 Ų109.761%0.60865%0.646SS**  trans-67.897.8164.200000108S316 D320S316-G318 PolarHBondContact O-N 3.05Å; G318-D320 PolarHBondContact O-N 3.08Å
319E48.5Very low56.3Low165 Ų165108.8 Ų108.877%0.77165%0.652SS**  trans-67.281.9151.3-77.7-179.3126.200107.5S317S317-E319 PolarHBondContact O-N 2.96Å; S317-E319 VanDerWaalsContact O-N 3.08Å
320D41.7Very low55.7Low160 Ų160106.5 Ų106.586%0.85665%0.653SS**  trans-88.891.3155.5-87.5-29.8000107.7G318G318-D320 PolarHBondContact O-N 3.08Å
321S33.6Very low54.5Low195 Ų195104.4 Ų104.4100%1.36465%0.649SS**  trans-144.50152.8-75.90000110.1

Retrieved 321 of 321 residues in 125.3 ms (Link to these results)

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