A0A5K4FCQ4_SCHMA Loading...

16 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession A0A5K4FCQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M34.7Very low57.3Low230 Ų230109.4 Ų109.4100%1.13357%0.565SS**  0138.80-62.6-163.9-164.100108R3M1-R3 PolarHBondContact O-N 2.92Å
2P39.6Very low59.4Low119 Ų119111.7 Ų111.777%0.77357%0.572SS**  trans-64.2128.6170.728.5-29.9000107.9C4P2-C4 PolarHBondContact O-N 2.76Å; P2-C4 VanDerWaalsContact O-N 3.16Å
3R43.1Very low61.2Low204 Ų204107.6 Ų107.677%0.7756%0.555SS**  trans-66.8112.3174.9-78.9178.372.5111.8-7107.2M1 L5 E9M1-R3 PolarHBondContact O-N 2.92Å; R3-L5 PolarHBondContact O-N 3.19Å; R3-E9 IonicContact CZ-OE1 3.58Å; R3-E9 IonicContact NH2-OE1 2.69Å; R3-E9 PolarHBondContact NH2-OE1 3.44Å
4C47.6Very low62.9Low108 Ų108100.4 Ų100.473%0.7352%0.517SS*.PPolyproline II helixtrans-72.6120.9164.4-60.30000106.8P2 N6P2-C4 PolarHBondContact O-N 2.76Å; P2-C4 VanDerWaalsContact O-N 3.16Å; C4-N6 PolarHBondContact O-N 3.5Å
5L52.1Low64.4Low75 Ų75100.8 Ų100.839%0.39352%0.521SS..PPolyproline II helixtrans-59.4120.9169.6-77.4152.2000107.5R3 E9 L10 L70R3-L5 PolarHBondContact O-N 3.19Å; L5-E9 HydrophobicContact CD2-CB 3.66Å; L5-L10 HydrophobicContact CB-CG 4.46Å; L5-L70 HydrophobicContact CB-CD1 4.21Å; L5-L70 WeakPolarHBondContact O-CD2 3.22Å
6N58.4Low65.8Low82 Ų82103.4 Ų103.444%0.43953%0.53SS..PPolyproline II helixtrans-79.8165.6174.450.312.7000109.9C4 E8 E9 L10C4-N6 PolarHBondContact O-N 3.5Å; N6-E8 PolarHBondContact O-N 2.73Å; N6-E9 PolarHBondContact O-N 2.83Å; N6-E9 WeakPolarHBondContact OD1-CB 3.03Å; N6-E9 WeakPolarHBondContact OD1-CG 3.29Å; N6-E9 PolarHBondContact OD1-N 3.36Å; N6-E9 PolarHBondContact OD1-OE2 3.22Å; N6-L10 PolarHBondContact O-N 2.86Å; N6-L10 VanDerWaalsContact O-N 3.11Å
7S66.7Low67Low66 Ų6698.4 Ų98.446%0.46250%0.504SS..Hα-helixtrans-56.7-27.2-174.6-170.80000113.2M11S7-M11 VanDerWaalsContact O-CB 3.3Å; S7-M11 WeakPolarHBondContact O-CB 3.27Å; S7-M11 PolarHBondContact O-N 3.48Å
8E67.9Low68.3Low153 Ų15393.2 Ų93.272%0.71548%0.478SS*.Hα-helixtrans-73-53.1178.4-71.6170.5105.300112.1N6 L10 M11 E12N6-E8 PolarHBondContact O-N 2.73Å; E8-L10 PolarHBondContact O-N 2.85Å; E8-M11 PolarHBondContact O-N 3.1Å; E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.08Å
9E71.3Confident69.1Low57 Ų5793.9 Ų93.927%0.26648%0.483SS..Hα-helixtrans-60.3-35.4177.7-73178.5145.900111.2R3 L5 N6 V13R3-E9 IonicContact CZ-OE1 3.58Å; R3-E9 IonicContact NH2-OE1 2.69Å; R3-E9 PolarHBondContact NH2-OE1 3.44Å; L5-E9 HydrophobicContact CD2-CB 3.66Å; N6-E9 PolarHBondContact O-N 2.83Å; N6-E9 WeakPolarHBondContact OD1-CB 3.03Å; N6-E9 WeakPolarHBondContact OD1-CG 3.29Å; N6-E9 PolarHBondContact OD1-N 3.36Å; N6-E9 PolarHBondContact OD1-OE2 3.22Å; E9-V13 WeakPolarHBondContact O-CG2 3.26Å; E9-V13 PolarHBondContact O-N 3.37Å
10L72.4Confident70Confident8 Ų894 Ų944%0.04248%0.484CS..Hα-helixtrans-60.6-45.1173.8-106.9179.9000113.2L5 N6 E8 E12 V13 F14 F64 K65 L68 L70L5-L10 HydrophobicContact CB-CG 4.46Å; N6-L10 PolarHBondContact O-N 2.86Å; N6-L10 VanDerWaalsContact O-N 3.11Å; E8-L10 PolarHBondContact O-N 2.85Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-V13 PolarHBondContact O-N 2.96Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 2.85Å; L10-F64 HydrophobicContact CD2-CD1 3.64Å; L10-F64 HydrophobicContact CD2-CE1 3.44Å; L10-F64 VanDerWaalsContact CD2-CE1 3.44Å; L10-K65 HydrophobicContact CD1-CG 3.98Å; L10-L68 HydrophobicContact CD2-CD1 3.35Å; L10-L70 HydrophobicContact CD1-CB 3.85Å; L10-L70 HydrophobicContact CD1-CD1 3.18Å; L10-L70 HydrophobicContact CD1-CG 4.01Å; L10-L70 HydrophobicContact CD2-CD1 3.76Å; L10-L70 HydrophobicContact CG-CD1 3.49Å; L10-L70 VanDerWaalsContact CG-CD1 3.49Å
11M76.1Confident70.7Confident101 Ų10192.1 Ų92.150%0.49849%0.488SS..Hα-helixtrans-73.5-31.5-173.5-156.9150171.800110.3S7 E8 F14 N15S7-M11 VanDerWaalsContact O-CB 3.3Å; S7-M11 WeakPolarHBondContact O-CB 3.27Å; S7-M11 PolarHBondContact O-N 3.48Å; E8-M11 PolarHBondContact O-N 3.1Å; M11-F14 PolarHBondContact O-N 3.18Å; M11-N15 WeakPolarHBondContact O-CB 3.1Å; M11-N15 PolarHBondContact O-N 2.8Å
12E83.1Confident73.4Confident137 Ų13785.4 Ų85.464%0.6446%0.457SS*.Hα-helixtrans-61.4-49.2168.4-68.9-166.5107.600111.7E8 L10 F14 N15 E16E8-E12 PolarHBondContact O-N 3.45Å; E8-E12 VanDerWaalsContact O-N 3.08Å; L10-E12 VanDerWaalsContact C-N 3.32Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.4Å; E12-N15 PolarHBondContact O-N 2.61Å; E12-E16 PolarHBondContact O-N 3.5Å
13V81.9Confident75.6Confident59 Ų5981.5 Ų81.536%0.35844%0.438SS..Hα-helixtrans-62.3-41.8177.41760000111.1E9 L10 E16 L17 F64E9-V13 WeakPolarHBondContact O-CG2 3.26Å; E9-V13 PolarHBondContact O-N 3.37Å; L10-V13 PolarHBondContact O-N 2.96Å; V13-E16 PolarHBondContact O-N 2.83Å; V13-L17 HydrophobicContact CG1-CD1 4.39Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.23Å; V13-L17 VanDerWaalsContact O-N 3.15Å; V13-F64 HydrophobicContact CG1-CE1 4.38Å; V13-F64 HydrophobicContact CG1-CZ 3.91Å
14F85Confident77.9Confident6 Ų673.6 Ų73.63%0.02641%0.413CS..Hα-helixtrans-62.9-44.9177.5-170.6-88.5000111.4L10 M11 E12 E16 L17 D18 G23 V25 L61 F64L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 2.85Å; M11-F14 PolarHBondContact O-N 3.18Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.4Å; F14-E16 VanDerWaalsContact C-N 3.33Å; F14-E16 PolarHBondContact O-N 3.34Å; F14-L17 WeakPolarHBondContact O-CB 3.43Å; F14-L17 PolarHBondContact O-N 3.42Å; F14-L17 VanDerWaalsContact O-N 3.14Å; F14-D18 HydrophobicContact CD1-CB 4.31Å; F14-D18 HydrophobicContact CE1-CB 4.14Å; F14-D18 WeakPolarHBondContact O-CB 3.44Å; F14-D18 PolarHBondContact O-N 2.78Å; F14-G23 WeakPolarHBondContact CE1-O 3.38Å; F14-G23 WeakPolarHBondContact CZ-O 3.08Å; F14-V25 HydrophobicContact CD2-CG2 4Å; F14-V25 HydrophobicContact CE1-CG2 4.25Å; F14-V25 HydrophobicContact CE2-CG2 3.69Å; F14-V25 HydrophobicContact CG-CG2 4.43Å; F14-V25 HydrophobicContact CZ-CG2 3.84Å; F14-L61 HydrophobicContact CB-CD1 4.12Å; F14-L61 HydrophobicContact CD1-CD1 3.81Å; F14-L61 HydrophobicContact CD2-CD1 4.03Å; F14-L61 HydrophobicContact CE1-CD1 4.2Å; F14-L61 HydrophobicContact CE2-CB 4.38Å; F14-L61 HydrophobicContact CE2-CD1 4.39Å; F14-L61 HydrophobicContact CG-CD1 3.71Å; F14-L61 HydrophobicContact CZ-CB 4.26Å; F14-L61 HydrophobicContact CZ-CD1 4.45Å; F14-F64 HydrophobicContact CB-CD1 4.35Å; F14-F64 HydrophobicContact CB-CE1 4.37Å; F14-F64 HydrophobicContact CD2-CB 3.89Å; F14-F64 AromaticContact CD2-CD1 3.85Å; F14-F64 HydrophobicContact CD2-CD1 3.85Å; F14-F64 HydrophobicContact CD2-CD2 4.42Å; F14-F64 HydrophobicContact CD2-CE1 4.47Å; F14-F64 AromaticContact CD2-CG 3.82Å; F14-F64 HydrophobicContact CD2-CG 3.82Å; F14-F64 HydrophobicContact CE2-CB 4.04Å; F14-F64 HydrophobicContact CE2-CG 4.39Å
15N86.3Confident80Confident107 Ų10768.5 Ų68.557%0.57238%0.378SS*.Hα-helixtrans-65.3-32.4175.7-108.117.9000113.2M11 E12 L17 D18M11-N15 WeakPolarHBondContact O-CB 3.1Å; M11-N15 PolarHBondContact O-N 2.8Å; E12-N15 PolarHBondContact O-N 2.61Å; N15-L17 PolarHBondContact O-N 3.34Å; N15-D18 CarbonylContact O-C 3.54Å
16E86.1Confident81.9Confident143 Ų14365.8 Ų65.867%0.66837%0.366SS*.Hα-helixtrans-66.8-31174-81.2-163.1133.800112.1E12 V13 F14E12-E16 PolarHBondContact O-N 3.5Å; V13-E16 PolarHBondContact O-N 2.83Å; F14-E16 VanDerWaalsContact C-N 3.33Å; F14-E16 PolarHBondContact O-N 3.34Å
17L86.8Confident83.3Confident17 Ų1767.5 Ų67.59%0.08937%0.366CS..Hα-helixtrans-78.4-48.9175.1-65.1175.1000110.8V13 F14 N15 N19 V25 E29 L30 C33 F64V13-L17 HydrophobicContact CG1-CD1 4.39Å; V13-L17 WeakPolarHBondContact O-CG 3.39Å; V13-L17 PolarHBondContact O-N 3.23Å; V13-L17 VanDerWaalsContact O-N 3.15Å; F14-L17 WeakPolarHBondContact O-CB 3.43Å; F14-L17 PolarHBondContact O-N 3.42Å; F14-L17 VanDerWaalsContact O-N 3.14Å; N15-L17 PolarHBondContact O-N 3.34Å; L17-N19 PolarHBondContact O-N 2.82Å; L17-N19 PolarHBondContact O-ND2 3.2Å; L17-V25 HydrophobicContact CB-CB 4.44Å; L17-V25 HydrophobicContact CB-CG1 3.87Å; L17-V25 HydrophobicContact CB-CG2 3.63Å; L17-E29 WeakPolarHBondContact O-CB 3.41Å; L17-L30 HydrophobicContact CD1-CD1 3.99Å; L17-L30 HydrophobicContact CD2-CD1 4.12Å; L17-C33 HydrophobicContact CD2-CB 3.84Å; L17-F64 HydrophobicContact CD1-CE2 4.08Å; L17-F64 HydrophobicContact CD1-CZ 4.27Å
18D89.8Confident84.4Confident6 Ų671.9 Ų71.93%0.03238%0.379CS..  trans-73.380.8178.4-178.77.6000111.3F14 N15 N20 G21 D22 G23 V25F14-D18 HydrophobicContact CD1-CB 4.31Å; F14-D18 HydrophobicContact CE1-CB 4.14Å; F14-D18 WeakPolarHBondContact O-CB 3.44Å; F14-D18 PolarHBondContact O-N 2.78Å; N15-D18 CarbonylContact O-C 3.54Å; D18-N20 VanDerWaalsContact C-N 3.29Å; D18-N20 PolarHBondContact O-N 2.96Å; D18-N20 PolarHBondContact OD1-N 3.11Å; D18-N20 PolarHBondContact OD1-OD1 3.02Å; D18-N20 VanDerWaalsContact OD1-OD1 3.1Å; D18-G21 PolarHBondContact O-N 3.18Å; D18-G21 WeakPolarHBondContact OD1-CA 3.2Å; D18-G21 PolarHBondContact OD1-N 2.83Å; D18-G21 WeakPolarHBondContact OD2-CA 3.43Å; D18-D22 PolarHBondContact OD1-N 2.85Å; D18-D22 PolarHBondContact OD2-N 3.32Å; D18-G23 VanDerWaalsContact OD2-CA 3.31Å; D18-G23 WeakPolarHBondContact OD2-CA 3.4Å; D18-G23 PolarHBondContact OD2-N 3.21Å; D18-V25 HydrophobicContact CB-CG2 4.01Å
19N84Confident85.6Confident107 Ų10765.4 Ų65.457%0.57235%0.349SS*.SBendtrans-69.4-24.9-177.6-90.5-92.1000113.6L17 E29L17-N19 PolarHBondContact O-N 2.82Å; L17-N19 PolarHBondContact O-ND2 3.2Å; N19-E29 HydrophobicContact CB-CG 4.48Å
20N87.2Confident86.4Confident94 Ų9462.8 Ų62.850%0.50334%0.337SS..SBendtrans-91.8-16.4-177.579.825.5000112D18 D22 E29D18-N20 VanDerWaalsContact C-N 3.29Å; D18-N20 PolarHBondContact O-N 2.96Å; D18-N20 PolarHBondContact OD1-N 3.11Å; D18-N20 PolarHBondContact OD1-OD1 3.02Å; D18-N20 VanDerWaalsContact OD1-OD1 3.1Å; N20-D22 PolarHBondContact ND2-OD2 2.83Å; N20-D22 WeakPolarHBondContact OD1-CA 3.5Å; N20-D22 WeakPolarHBondContact OD1-CB 3.46Å; N20-D22 PolarHBondContact OD1-N 3.48Å; N20-D22 PolarHBondContact OD1-OD1 2.92Å; N20-D22 PolarHBondContact OD1-OD2 2.72Å; N20-E29 VanDerWaalsContact CB-OE1 3.29Å; N20-E29 WeakPolarHBondContact CB-OE1 3.49Å; N20-E29 PolarHBondContact N-OE1 2.6Å; N20-E29 PolarHBondContact ND2-OE1 2.92Å
21G85.4Confident87.2Confident56 Ų5663.4 Ų63.458%0.57734%0.341SS*.  trans71.425.517800000113.8D18 G23D18-G21 PolarHBondContact O-N 3.18Å; D18-G21 WeakPolarHBondContact OD1-CA 3.2Å; D18-G21 PolarHBondContact OD1-N 2.83Å; D18-G21 WeakPolarHBondContact OD2-CA 3.43Å; G21-G23 PolarHBondContact O-N 3.43Å
22D90.6Very high87.9Confident89 Ų8961.7 Ų61.748%0.47634%0.336SS..SBendtrans-80.3-5178.57013000112.7D18 N20 V24D18-D22 PolarHBondContact OD1-N 2.85Å; D18-D22 PolarHBondContact OD2-N 3.32Å; N20-D22 PolarHBondContact ND2-OD2 2.83Å; N20-D22 WeakPolarHBondContact OD1-CA 3.5Å; N20-D22 WeakPolarHBondContact OD1-CB 3.46Å; N20-D22 PolarHBondContact OD1-N 3.48Å; N20-D22 PolarHBondContact OD1-OD1 2.92Å; N20-D22 PolarHBondContact OD1-OD2 2.72Å; D22-V24 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V24 PolarHBondContact OD1-N 3.16Å
23G86.6Confident88.1Confident37 Ų3757 Ų5738%0.38132%0.318SS..SBendtrans87.55.4178.400000113.8F14 D18 G21F14-G23 WeakPolarHBondContact CE1-O 3.38Å; F14-G23 WeakPolarHBondContact CZ-O 3.08Å; D18-G23 VanDerWaalsContact OD2-CA 3.31Å; D18-G23 WeakPolarHBondContact OD2-CA 3.4Å; D18-G23 PolarHBondContact OD2-N 3.21Å; G21-G23 PolarHBondContact O-N 3.43Å
24V90.9Very high88.3Confident38 Ų3855.5 Ų55.523%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-132.7140.1174.1-61.70000110.9D22 S26 Y58 T60D22-V24 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V24 PolarHBondContact OD1-N 3.16Å; V24-S26 PolarHBondContact O-N 2.77Å; V24-Y58 HydrophobicContact CG2-CD1 3.84Å; V24-Y58 HydrophobicContact CG2-CG 4.49Å; V24-T60 HydrophobicContact CG1-CG2 3.93Å
25V91.5Very high88.5Confident0 Ų058.5 Ų58.50%033%0.326CS..EExtended strand (participates in β ladder)trans-90.9106.2174.5-178.90000108.7F14 L17 D18 E29 L30 I59F14-V25 HydrophobicContact CD2-CG2 4Å; F14-V25 HydrophobicContact CE1-CG2 4.25Å; F14-V25 HydrophobicContact CE2-CG2 3.69Å; F14-V25 HydrophobicContact CG-CG2 4.43Å; F14-V25 HydrophobicContact CZ-CG2 3.84Å; L17-V25 HydrophobicContact CB-CB 4.44Å; L17-V25 HydrophobicContact CB-CG1 3.87Å; L17-V25 HydrophobicContact CB-CG2 3.63Å; D18-V25 HydrophobicContact CB-CG2 4.01Å; V25-E29 HydrophobicContact CG1-CB 4.12Å; V25-L30 HydrophobicContact CG1-CB 3.82Å; V25-L30 HydrophobicContact CG1-CD1 4.2Å; V25-I59 HydrophobicContact CB-CB 4.2Å; V25-I59 HydrophobicContact CB-CD1 4.5Å; V25-I59 PolarHBondContact N-O 3.04Å; V25-I59 PolarHBondContact O-N 3.49Å
26S91.2Very high88.5Confident19 Ų1961.4 Ų61.413%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-67.5156.1171.570.30000111.4V24 Q28 E29 L30V24-S26 PolarHBondContact O-N 2.77Å; S26-Q28 PolarHBondContact O-N 3.31Å; S26-Q28 VanDerWaalsContact O-N 3.11Å; S26-E29 WeakPolarHBondContact CB-OE2 3.06Å; S26-E29 PolarHBondContact N-OE2 3.48Å; S26-E29 WeakPolarHBondContact O-CB 3.27Å; S26-E29 PolarHBondContact O-N 2.96Å; S26-E29 VanDerWaalsContact OG-CD 3.27Å; S26-E29 WeakPolarHBondContact OG-CG 3.34Å; S26-E29 PolarHBondContact OG-N 3.19Å; S26-E29 PolarHBondContact OG-OE2 3.17Å; S26-L30 PolarHBondContact O-N 2.78Å
27R89.2Confident88.5Confident117 Ų11758.1 Ų58.144%0.44233%0.331SS..Hα-helixtrans-52.5-35.1171.7-172.8171.8179.4162.2-11.5112.6T31 E45 M48 G57R27-T31 WeakPolarHBondContact O-CB 3.16Å; R27-T31 PolarHBondContact O-N 2.71Å; R27-T31 PolarHBondContact O-OG1 2.56Å; R27-E45 IonicContact CZ-OE1 2.85Å; R27-E45 IonicContact CZ-OE2 3.14Å; R27-E45 IonicContact NE-OE1 3.19Å; R27-E45 PolarHBondContact NE-OE1 2.88Å; R27-E45 IonicContact NH1-OE2 3.87Å; R27-E45 IonicContact NH2-OE1 3.97Å; R27-E45 PolarHBondContact NH2-OE1 3.14Å; R27-E45 IonicContact NH2-OE2 2.56Å; R27-E45 PolarHBondContact NH2-OE2 3.34Å; R27-M48 HydrophobicContact CB-CE 4.42Å; R27-M48 HydrophobicContact CG-CG 4.41Å; R27-G57 PolarHBondContact N-O 3.47Å
28Q89.9Confident88.6Confident159 Ų15960.6 Ų60.674%0.74336%0.36SS*.Hα-helixtrans-68.4-40178-105.6170.6400112.5S26 T31 T32S26-Q28 PolarHBondContact O-N 3.31Å; S26-Q28 VanDerWaalsContact O-N 3.11Å; Q28-T31 PolarHBondContact O-N 3.2Å; Q28-T32 VanDerWaalsContact O-CB 3.27Å; Q28-T32 WeakPolarHBondContact O-CB 3.19Å; Q28-T32 PolarHBondContact O-N 3.14Å; Q28-T32 PolarHBondContact O-OG1 3.32Å
29E91.4Very high88.5Confident17 Ų1763.2 Ų63.28%0.07937%0.374CS..Hα-helixtrans-67.3-49.9176.8-79.5156.515600111.9L17 N19 N20 V25 S26 T31 T32 C33L17-E29 WeakPolarHBondContact O-CB 3.41Å; N19-E29 HydrophobicContact CB-CG 4.48Å; N20-E29 VanDerWaalsContact CB-OE1 3.29Å; N20-E29 WeakPolarHBondContact CB-OE1 3.49Å; N20-E29 PolarHBondContact N-OE1 2.6Å; N20-E29 PolarHBondContact ND2-OE1 2.92Å; V25-E29 HydrophobicContact CG1-CB 4.12Å; S26-E29 WeakPolarHBondContact CB-OE2 3.06Å; S26-E29 PolarHBondContact N-OE2 3.48Å; S26-E29 WeakPolarHBondContact O-CB 3.27Å; S26-E29 PolarHBondContact O-N 2.96Å; S26-E29 VanDerWaalsContact OG-CD 3.27Å; S26-E29 WeakPolarHBondContact OG-CG 3.34Å; S26-E29 PolarHBondContact OG-N 3.19Å; S26-E29 PolarHBondContact OG-OE2 3.17Å; E29-T31 PolarHBondContact O-N 2.85Å; E29-T32 PolarHBondContact O-N 3.15Å; E29-C33 WeakPolarHBondContact O-CB 3.2Å; E29-C33 PolarHBondContact O-N 3.44Å
30L88.7Confident88.8Confident2 Ų261.6 Ų61.61%0.0137%0.371CS..Hα-helixtrans-54.7-47.6174.1-170.178.9000110.1L17 V25 S26 C33 L34 I44 V47 M48 I59L17-L30 HydrophobicContact CD1-CD1 3.99Å; L17-L30 HydrophobicContact CD2-CD1 4.12Å; V25-L30 HydrophobicContact CG1-CB 3.82Å; V25-L30 HydrophobicContact CG1-CD1 4.2Å; S26-L30 PolarHBondContact O-N 2.78Å; L30-C33 PolarHBondContact O-N 3.32Å; L30-L34 HydrophobicContact CD1-CD1 3.95Å; L30-L34 HydrophobicContact CD1-CG 4.46Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 HydrophobicContact CG-CD1 3.69Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.46Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.08Å; L30-I44 HydrophobicContact CD2-CG2 4.15Å; L30-V47 HydrophobicContact CD2-CG1 4.17Å; L30-M48 HydrophobicContact CD2-CB 3.94Å; L30-M48 HydrophobicContact CD2-CG 4.31Å; L30-M48 HydrophobicContact CD2-SD 3.68Å; L30-I59 HydrophobicContact CD1-CD1 4.08Å; L30-I59 HydrophobicContact CD2-CD1 4.06Å
31T89.6Confident88.8Confident21 Ų2162.2 Ų62.213%0.12937%0.372CS..Hα-helixtrans-63.1-45.8-179.8-63.60000111.8R27 Q28 E29 C33 V35 M41 I44R27-T31 WeakPolarHBondContact O-CB 3.16Å; R27-T31 PolarHBondContact O-N 2.71Å; R27-T31 PolarHBondContact O-OG1 2.56Å; Q28-T31 PolarHBondContact O-N 3.2Å; E29-T31 PolarHBondContact O-N 2.85Å; T31-C33 VanDerWaalsContact C-N 3.32Å; T31-C33 PolarHBondContact O-N 3.16Å; T31-V35 HydrophobicContact CG2-CG2 3.95Å; T31-V35 WeakPolarHBondContact O-CB 3.43Å; T31-V35 WeakPolarHBondContact O-CG2 3.18Å; T31-V35 PolarHBondContact O-N 2.82Å; T31-M41 HydrophobicContact CG2-CE 3.3Å; T31-M41 HydrophobicContact CG2-SD 3.47Å; T31-M41 WeakPolarHBondContact CG2-SD 3.47Å; T31-I44 HydrophobicContact CG2-CD1 4.36Å
32T89.7Confident89Confident65 Ų6563 Ų6340%0.39937%0.374SS..Hα-helixtrans-63-42.3-178.9-620000110.8Q28 E29 K36Q28-T32 VanDerWaalsContact O-CB 3.27Å; Q28-T32 WeakPolarHBondContact O-CB 3.19Å; Q28-T32 PolarHBondContact O-N 3.14Å; Q28-T32 PolarHBondContact O-OG1 3.32Å; E29-T32 PolarHBondContact O-N 3.15Å; T32-K36 HydrophobicContact CG2-CD 4.35Å; T32-K36 WeakPolarHBondContact O-CB 3.44Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 2.89Å; T32-K36 VanDerWaalsContact O-N 3.16Å
33C87.7Confident88.9Confident37 Ų3764.2 Ų64.225%0.2537%0.374CS..Hα-helixtrans-69.4-48.8179.7-158.30000111.7L17 E29 L30 T31 K36 A37L17-C33 HydrophobicContact CD2-CB 3.84Å; E29-C33 WeakPolarHBondContact O-CB 3.2Å; E29-C33 PolarHBondContact O-N 3.44Å; L30-C33 PolarHBondContact O-N 3.32Å; T31-C33 VanDerWaalsContact C-N 3.32Å; T31-C33 PolarHBondContact O-N 3.16Å; C33-K36 WeakPolarHBondContact O-CB 3.35Å; C33-K36 PolarHBondContact O-N 3.36Å; C33-A37 PolarHBondContact O-N 3.27Å
34L87.2Confident89Confident28 Ų2862.4 Ų62.415%0.14736%0.356CS..Hα-helixtrans-71.6-35.2-177.9-63.9179000113.1L30 K36 A37 G38 I39 I44 V47L30-L34 HydrophobicContact CD1-CD1 3.95Å; L30-L34 HydrophobicContact CD1-CG 4.46Å; L30-L34 HydrophobicContact CD2-CD1 4.18Å; L30-L34 HydrophobicContact CG-CD1 3.69Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 VanDerWaalsContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.46Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.4Å; L30-L34 PolarHBondContact O-N 3.08Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-A37 CarbonylContact O-C 3.59Å; L34-A37 WeakPolarHBondContact O-CB 3.22Å; L34-A37 PolarHBondContact O-N 3.35Å; L34-G38 PolarHBondContact O-N 2.9Å; L34-I39 HydrophobicContact CB-CB 4.13Å; L34-I39 HydrophobicContact CB-CD1 4.21Å; L34-I39 HydrophobicContact CB-CG2 4.49Å; L34-I39 HydrophobicContact CD2-CD1 3.59Å; L34-I39 HydrophobicContact CG-CD1 4.39Å; L34-I39 VanDerWaalsContact O-CB 3.32Å; L34-I39 WeakPolarHBondContact O-CB 3.46Å; L34-I39 PolarHBondContact O-N 3.42Å; L34-I44 HydrophobicContact CB-CD1 3.66Å; L34-I44 HydrophobicContact CB-CG1 3.65Å; L34-I44 HydrophobicContact CD1-CB 4.38Å; L34-I44 HydrophobicContact CD1-CG1 3.84Å; L34-I44 HydrophobicContact CD1-CG2 4.24Å; L34-I44 HydrophobicContact CG-CG1 4.42Å; L34-V47 HydrophobicContact CD1-CG1 4.42Å
35V88.9Confident88.9Confident69 Ų6963.9 Ų63.942%0.41836%0.361SS..Hα-helixtrans-64.3-41.4171.8170.70000110.5T31 A37 G38 M41 I44T31-V35 HydrophobicContact CG2-CG2 3.95Å; T31-V35 WeakPolarHBondContact O-CB 3.43Å; T31-V35 WeakPolarHBondContact O-CG2 3.18Å; T31-V35 PolarHBondContact O-N 2.82Å; V35-A37 PolarHBondContact O-N 3.1Å; V35-G38 PolarHBondContact O-N 2.99Å; V35-M41 HydrophobicContact CG2-CE 3.86Å; V35-M41 HydrophobicContact CG2-SD 4.04Å; V35-I44 HydrophobicContact CG2-CD1 3.54Å
36K86.6Confident88.7Confident169 Ų16969 Ų6974%0.73539%0.385SS*.Hα-helixtrans-61.1-33.7173.2-79.7175.4-179.8177.50112T32 C33 L34 G38T32-K36 HydrophobicContact CG2-CD 4.35Å; T32-K36 WeakPolarHBondContact O-CB 3.44Å; T32-K36 WeakPolarHBondContact O-CG 3.34Å; T32-K36 PolarHBondContact O-N 2.89Å; T32-K36 VanDerWaalsContact O-N 3.16Å; C33-K36 WeakPolarHBondContact O-CB 3.35Å; C33-K36 PolarHBondContact O-N 3.36Å; L34-K36 VanDerWaalsContact C-N 3.35Å; K36-G38 PolarHBondContact O-N 3.18Å
37A85.5Confident88.5Confident74 Ų7470.2 Ų70.261%0.61239%0.391SS*.THydrogen-bonded Turntrans-75.3-1.4173.100000114.2C33 L34 V35 I39C33-A37 PolarHBondContact O-N 3.27Å; L34-A37 CarbonylContact O-C 3.59Å; L34-A37 WeakPolarHBondContact O-CB 3.22Å; L34-A37 PolarHBondContact O-N 3.35Å; V35-A37 PolarHBondContact O-N 3.1Å; A37-I39 HydrophobicContact CB-CD1 4.41Å
38G88.3Confident88.4Confident68 Ų6864.9 Ų64.970%0.70137%0.371SS*.THydrogen-bonded Turntrans83.514.1179.300000114.6L34 V35 K36L34-G38 PolarHBondContact O-N 2.9Å; V35-G38 PolarHBondContact O-N 2.99Å; K36-G38 PolarHBondContact O-N 3.18Å
39I87.9Confident88.2Confident62 Ų6262.2 Ų62.232%0.31836%0.362SS..  trans-83.4137177.8-62.2169.5000109.3L34 A37 K43 I44L34-I39 HydrophobicContact CB-CB 4.13Å; L34-I39 HydrophobicContact CB-CD1 4.21Å; L34-I39 HydrophobicContact CB-CG2 4.49Å; L34-I39 HydrophobicContact CD2-CD1 3.59Å; L34-I39 HydrophobicContact CG-CD1 4.39Å; L34-I39 VanDerWaalsContact O-CB 3.32Å; L34-I39 WeakPolarHBondContact O-CB 3.46Å; L34-I39 PolarHBondContact O-N 3.42Å; A37-I39 HydrophobicContact CB-CD1 4.41Å; I39-K43 HydrophobicContact CG2-CB 3.63Å; I39-K43 HydrophobicContact CG2-CG 3.9Å; I39-I44 HydrophobicContact CG2-CG1 3.97Å
40S90.2Very high87.9Confident73 Ų7367.7 Ų67.751%0.5139%0.387SS..  trans-74.5149.6-178.867.20000112.3A42 K43 I44S40-A42 PolarHBondContact O-N 2.8Å; S40-A42 VanDerWaalsContact O-N 3.14Å; S40-K43 WeakPolarHBondContact O-CB 3.39Å; S40-K43 PolarHBondContact O-N 3.19Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 3.09Å; S40-I44 VanDerWaalsContact O-N 3.09Å
41M88.1Confident87.8Confident106 Ų10668.3 Ų68.352%0.52239%0.391SS..Hα-helixtrans-51.8-39.6177.1-75.6-60.1-16700113.5T31 V35 K43 I44 E45T31-M41 HydrophobicContact CG2-CE 3.3Å; T31-M41 HydrophobicContact CG2-SD 3.47Å; T31-M41 WeakPolarHBondContact CG2-SD 3.47Å; V35-M41 HydrophobicContact CG2-CE 3.86Å; V35-M41 HydrophobicContact CG2-SD 4.04Å; M41-K43 PolarHBondContact O-N 2.94Å; M41-I44 WeakPolarHBondContact O-CB 3.48Å; M41-I44 PolarHBondContact O-N 3.02Å; M41-I44 VanDerWaalsContact O-N 3.12Å; M41-I44 HydrophobicContact SD-CD1 4.03Å; M41-E45 WeakPolarHBondContact O-CG 3.49Å; M41-E45 PolarHBondContact O-N 3.48Å
42A90.3Very high87.8Confident74 Ų7468 Ų6861%0.61239%0.388SS*.Hα-helixtrans-60-35.2178.300000112.5S40 Q46S40-A42 PolarHBondContact O-N 2.8Å; S40-A42 VanDerWaalsContact O-N 3.14Å; A42-Q46 PolarHBondContact O-N 2.95Å
43K87Confident87.5Confident113 Ų11369.4 Ų69.449%0.49139%0.393SS..Hα-helixtrans-76.4-36.2176.9-162.175.4-179.9175.10111.3I39 S40 M41 Q46 V47I39-K43 HydrophobicContact CG2-CB 3.63Å; I39-K43 HydrophobicContact CG2-CG 3.9Å; S40-K43 WeakPolarHBondContact O-CB 3.39Å; S40-K43 PolarHBondContact O-N 3.19Å; M41-K43 PolarHBondContact O-N 2.94Å; K43-Q46 WeakPolarHBondContact O-CB 3.45Å; K43-Q46 PolarHBondContact O-N 2.91Å; K43-Q46 VanDerWaalsContact O-N 3.15Å; K43-V47 WeakPolarHBondContact O-CG2 3.41Å; K43-V47 PolarHBondContact O-N 3.22Å
44I88.7Confident87.5Confident0 Ų072 Ų720%040%0.404CS..Hα-helixtrans-61.7-45175.5-61.8171.5000110.3L30 T31 L34 V35 I39 S40 M41 Q46 V47 M48L30-I44 HydrophobicContact CD2-CG2 4.15Å; T31-I44 HydrophobicContact CG2-CD1 4.36Å; L34-I44 HydrophobicContact CB-CD1 3.66Å; L34-I44 HydrophobicContact CB-CG1 3.65Å; L34-I44 HydrophobicContact CD1-CB 4.38Å; L34-I44 HydrophobicContact CD1-CG1 3.84Å; L34-I44 HydrophobicContact CD1-CG2 4.24Å; L34-I44 HydrophobicContact CG-CG1 4.42Å; V35-I44 HydrophobicContact CG2-CD1 3.54Å; I39-I44 HydrophobicContact CG2-CG1 3.97Å; S40-I44 WeakPolarHBondContact O-CG1 3.35Å; S40-I44 PolarHBondContact O-N 3.09Å; S40-I44 VanDerWaalsContact O-N 3.09Å; M41-I44 WeakPolarHBondContact O-CB 3.48Å; M41-I44 PolarHBondContact O-N 3.02Å; M41-I44 VanDerWaalsContact O-N 3.12Å; M41-I44 HydrophobicContact SD-CD1 4.03Å; I44-Q46 VanDerWaalsContact C-N 3.28Å; I44-Q46 PolarHBondContact O-N 3.44Å; I44-V47 PolarHBondContact O-N 2.81Å; I44-V47 VanDerWaalsContact O-N 3.14Å; I44-M48 WeakPolarHBondContact O-CB 3.41Å; I44-M48 PolarHBondContact O-N 2.92Å
45E88.7Confident87.4Confident69 Ų6979.7 Ų79.732%0.32243%0.431SS..Hα-helixtrans-56.6-41.6172.7-71.2-59.8130.800112.3R27 M41 M48 N49R27-E45 IonicContact CZ-OE1 2.85Å; R27-E45 IonicContact CZ-OE2 3.14Å; R27-E45 IonicContact NE-OE1 3.19Å; R27-E45 PolarHBondContact NE-OE1 2.88Å; R27-E45 IonicContact NH1-OE2 3.87Å; R27-E45 IonicContact NH2-OE1 3.97Å; R27-E45 PolarHBondContact NH2-OE1 3.14Å; R27-E45 IonicContact NH2-OE2 2.56Å; R27-E45 PolarHBondContact NH2-OE2 3.34Å; M41-E45 WeakPolarHBondContact O-CG 3.49Å; M41-E45 PolarHBondContact O-N 3.48Å; E45-M48 PolarHBondContact O-N 3.15Å; E45-N49 WeakPolarHBondContact O-CB 3.25Å; E45-N49 PolarHBondContact O-N 2.91Å
46Q88.3Confident87.5Confident108 Ų10880.3 Ų80.351%0.50543%0.432SS..Hα-helixtrans-67.3-37176.8-73.8-166.2-51.500113.1A42 K43 I44 Q50A42-Q46 PolarHBondContact O-N 2.95Å; K43-Q46 WeakPolarHBondContact O-CB 3.45Å; K43-Q46 PolarHBondContact O-N 2.91Å; K43-Q46 VanDerWaalsContact O-N 3.15Å; I44-Q46 VanDerWaalsContact C-N 3.28Å; I44-Q46 PolarHBondContact O-N 3.44Å; Q46-Q50 WeakPolarHBondContact O-CG 3.32Å; Q46-Q50 PolarHBondContact O-N 3.12Å; Q46-Q50 PolarHBondContact O-NE2 3.09Å
47V86.1Confident87.5Confident44 Ų4473.4 Ų73.427%0.26741%0.409SS..Hα-helixtrans-67.4-46.9175.7171.10000109.2L30 L34 K43 I44 N49 Q50 L51L30-V47 HydrophobicContact CD2-CG1 4.17Å; L34-V47 HydrophobicContact CD1-CG1 4.42Å; K43-V47 WeakPolarHBondContact O-CG2 3.41Å; K43-V47 PolarHBondContact O-N 3.22Å; I44-V47 PolarHBondContact O-N 2.81Å; I44-V47 VanDerWaalsContact O-N 3.14Å; V47-N49 PolarHBondContact O-N 3.36Å; V47-Q50 PolarHBondContact O-N 2.92Å; V47-L51 HydrophobicContact CG1-CD1 3.48Å; V47-L51 VanDerWaalsContact CG1-CD1 3.48Å; V47-L51 HydrophobicContact CG1-CG 4.12Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.26Å
48M86.9Confident87.8Confident5 Ų575.3 Ų75.33%0.02540%0.401CS..Hα-helixtrans-60.2-47179.6-163.755.2-164.100111.1R27 L30 I44 E45 Q50 L51 D52 G57 I59R27-M48 HydrophobicContact CB-CE 4.42Å; R27-M48 HydrophobicContact CG-CG 4.41Å; L30-M48 HydrophobicContact CD2-CB 3.94Å; L30-M48 HydrophobicContact CD2-CG 4.31Å; L30-M48 HydrophobicContact CD2-SD 3.68Å; I44-M48 WeakPolarHBondContact O-CB 3.41Å; I44-M48 PolarHBondContact O-N 2.92Å; E45-M48 PolarHBondContact O-N 3.15Å; M48-Q50 PolarHBondContact O-N 3.34Å; M48-Q50 VanDerWaalsContact O-N 3.09Å; M48-L51 PolarHBondContact O-N 2.91Å; M48-D52 HydrophobicContact CE-CB 3.47Å; M48-D52 VanDerWaalsContact CE-CB 3.47Å; M48-D52 WeakPolarHBondContact CE-OD2 3.41Å; M48-D52 HydrophobicContact CG-CB 4.43Å; M48-D52 WeakPolarHBondContact O-CB 3.44Å; M48-D52 PolarHBondContact O-N 3.14Å; M48-D52 HydrophobicContact SD-CB 4.18Å; M48-G57 VanDerWaalsContact CE-C 3.47Å; M48-G57 WeakPolarHBondContact CE-O 3.42Å; M48-I59 HydrophobicContact CE-CD1 4.25Å; M48-I59 HydrophobicContact CE-CG1 3.65Å; M48-I59 HydrophobicContact SD-CD1 3.41Å; M48-I59 WeakPolarHBondContact SD-CD1 3.3Å; M48-I59 HydrophobicContact SD-CG1 3.5Å; M48-I59 VanDerWaalsContact SD-CG1 3.5Å
49N86.8Confident87.9Confident102 Ų10272 Ų7255%0.54537%0.368SS..Hα-helixtrans-62.7-17.6175.5-110.2-26.9000115.1E45 V47E45-N49 WeakPolarHBondContact O-CB 3.25Å; E45-N49 PolarHBondContact O-N 2.91Å; V47-N49 PolarHBondContact O-N 3.36Å
50Q85.4Confident88Confident132 Ų13271 Ų7162%0.61737%0.365SS*.Hα-helixtrans-93.6-32.6177-79.3175.682.700112.4Q46 V47 M48 A67Q46-Q50 WeakPolarHBondContact O-CG 3.32Å; Q46-Q50 PolarHBondContact O-N 3.12Å; Q46-Q50 PolarHBondContact O-NE2 3.09Å; V47-Q50 PolarHBondContact O-N 2.92Å; M48-Q50 PolarHBondContact O-N 3.34Å; M48-Q50 VanDerWaalsContact O-N 3.09Å; Q50-A67 WeakPolarHBondContact O-CB 3.37Å
51L85.9Confident87.7Confident16 Ų1669.9 Ų69.98%0.08435%0.353CS..Hα-helixtrans-88.8-41.3-178.6-63.9178000111.8V47 M48 L53 I59 E63 F64 A67V47-L51 HydrophobicContact CG1-CD1 3.48Å; V47-L51 VanDerWaalsContact CG1-CD1 3.48Å; V47-L51 HydrophobicContact CG1-CG 4.12Å; V47-L51 WeakPolarHBondContact O-CG 3.48Å; V47-L51 PolarHBondContact O-N 3.26Å; M48-L51 PolarHBondContact O-N 2.91Å; L51-L53 PolarHBondContact O-N 3.28Å; L51-L53 VanDerWaalsContact O-N 3.1Å; L51-I59 HydrophobicContact CB-CD1 3.56Å; L51-I59 HydrophobicContact CB-CG1 3.85Å; L51-I59 HydrophobicContact CB-CG2 3.89Å; L51-I59 HydrophobicContact CD1-CD1 3.61Å; L51-I59 HydrophobicContact CG-CD1 4.23Å; L51-E63 WeakPolarHBondContact O-CB 3.29Å; L51-F64 HydrophobicContact CD1-CD2 3.89Å; L51-F64 HydrophobicContact CD1-CE2 3.85Å; L51-F64 HydrophobicContact CD2-CD2 3.93Å; L51-F64 HydrophobicContact CD2-CE2 4.25Å; L51-F64 HydrophobicContact CG-CD2 4.46Å; L51-A67 HydrophobicContact CD2-CB 3.47Å; L51-A67 VanDerWaalsContact CD2-CB 3.47Å
52D89.7Confident87.4Confident13 Ų1369.6 Ų69.67%0.0735%0.353CS..  trans-80.885.2178.6-178.52.8000110.1M48 N54 R55 D56 G57 I59M48-D52 HydrophobicContact CE-CB 3.47Å; M48-D52 VanDerWaalsContact CE-CB 3.47Å; M48-D52 WeakPolarHBondContact CE-OD2 3.41Å; M48-D52 HydrophobicContact CG-CB 4.43Å; M48-D52 WeakPolarHBondContact O-CB 3.44Å; M48-D52 PolarHBondContact O-N 3.14Å; M48-D52 HydrophobicContact SD-CB 4.18Å; D52-N54 PolarHBondContact OD1-OD1 3.33Å; D52-N54 VanDerWaalsContact OD1-OD1 3.04Å; D52-R55 WeakPolarHBondContact OD1-CA 3.35Å; D52-R55 PolarHBondContact OD1-N 3.43Å; D52-R55 WeakPolarHBondContact OD2-CA 3.45Å; D52-D56 PolarHBondContact OD1-N 3.08Å; D52-G57 VanDerWaalsContact OD2-CA 3.27Å; D52-G57 WeakPolarHBondContact OD2-CA 3.42Å; D52-G57 PolarHBondContact OD2-N 2.9Å; D52-I59 HydrophobicContact CB-CG1 4.43Å
53L83.8Confident87.2Confident95 Ų9566.8 Ų66.850%0.49733%0.327SS..SBendtrans-73.6-36.5-173.8-63.2177.7000111.4L51 E63 T66L51-L53 PolarHBondContact O-N 3.28Å; L51-L53 VanDerWaalsContact O-N 3.1Å; L53-E63 HydrophobicContact CB-CG 4.28Å; L53-E63 HydrophobicContact CD1-CG 4.41Å; L53-E63 HydrophobicContact CG-CG 4.43Å; L53-E63 PolarHBondContact N-OE1 3.49Å; L53-T66 HydrophobicContact CD1-CG2 3.52Å
54N86.6Confident87Confident92 Ų9262 Ų6249%0.49231%0.307SS..SBendtrans-84.7-13.1-179.776.99.3000113D52 D56 E63D52-N54 PolarHBondContact OD1-OD1 3.33Å; D52-N54 VanDerWaalsContact OD1-OD1 3.04Å; N54-D56 VanDerWaalsContact C-N 3.31Å; N54-D56 VanDerWaalsContact ND2-CG 3.32Å; N54-D56 PolarHBondContact ND2-OD2 2.88Å; N54-D56 VanDerWaalsContact OD1-CB 3.26Å; N54-D56 WeakPolarHBondContact OD1-CB 3.48Å; N54-D56 PolarHBondContact OD1-N 3.47Å; N54-D56 PolarHBondContact OD1-OD1 2.91Å; N54-D56 PolarHBondContact OD1-OD2 3.31Å; N54-E63 WeakPolarHBondContact CB-OE1 3.39Å; N54-E63 PolarHBondContact N-OE1 3.07Å; N54-E63 VanDerWaalsContact N-OE1 3.08Å; N54-E63 PolarHBondContact ND2-OE1 3.22Å; N54-E63 PolarHBondContact OD1-OE1 2.97Å
55R85.4Confident86.5Confident189 Ų18964.2 Ų64.271%0.71332%0.316SS*.  trans61.533.1-179.1-58.6-174.7177.1-176.60.3114D52 G57D52-R55 WeakPolarHBondContact OD1-CA 3.35Å; D52-R55 PolarHBondContact OD1-N 3.43Å; D52-R55 WeakPolarHBondContact OD2-CA 3.45Å; R55-G57 VanDerWaalsContact C-N 3.29Å
56D90.9Very high85.9Confident83 Ų8363.7 Ų63.744%0.44432%0.318SS..SBendtrans-83.5-8175.474.312.6000112.8D52 N54 Y58D52-D56 PolarHBondContact OD1-N 3.08Å; N54-D56 VanDerWaalsContact C-N 3.31Å; N54-D56 VanDerWaalsContact ND2-CG 3.32Å; N54-D56 PolarHBondContact ND2-OD2 2.88Å; N54-D56 VanDerWaalsContact OD1-CB 3.26Å; N54-D56 WeakPolarHBondContact OD1-CB 3.48Å; N54-D56 PolarHBondContact OD1-N 3.47Å; N54-D56 PolarHBondContact OD1-OD1 2.91Å; N54-D56 PolarHBondContact OD1-OD2 3.31Å; D56-Y58 WeakPolarHBondContact OD1-CA 3.32Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.4Å; D56-Y58 PolarHBondContact OD1-N 2.76Å
57G88Confident85.4Confident24 Ų2460.5 Ų60.525%0.24731%0.31CS..SBendtrans91.83.7-179.800000114.5R27 M48 D52 R55R27-G57 PolarHBondContact N-O 3.47Å; M48-G57 VanDerWaalsContact CE-C 3.47Å; M48-G57 WeakPolarHBondContact CE-O 3.42Å; D52-G57 VanDerWaalsContact OD2-CA 3.27Å; D52-G57 WeakPolarHBondContact OD2-CA 3.42Å; D52-G57 PolarHBondContact OD2-N 2.9Å; R55-G57 VanDerWaalsContact C-N 3.29Å
58Y91.7Very high84.7Confident113 Ų11362.2 Ų62.244%0.44332%0.317SS..EExtended strand (participates in β ladder)trans-121.4147.9176.2-58.7-92.1000109.5V24 D56V24-Y58 HydrophobicContact CG2-CD1 3.84Å; V24-Y58 HydrophobicContact CG2-CG 4.49Å; D56-Y58 WeakPolarHBondContact OD1-CA 3.32Å; D56-Y58 WeakPolarHBondContact OD1-CB 3.4Å; D56-Y58 PolarHBondContact OD1-N 2.76Å
59I89.6Confident83.8Confident0 Ų063.5 Ų63.50%033%0.332CS..EExtended strand (participates in β ladder)trans-107.7108.9170.8-52.2164.2000106.8V25 L30 M48 L51 D52 E63 F64V25-I59 HydrophobicContact CB-CB 4.2Å; V25-I59 HydrophobicContact CB-CD1 4.5Å; V25-I59 PolarHBondContact N-O 3.04Å; V25-I59 PolarHBondContact O-N 3.49Å; L30-I59 HydrophobicContact CD1-CD1 4.08Å; L30-I59 HydrophobicContact CD2-CD1 4.06Å; M48-I59 HydrophobicContact CE-CD1 4.25Å; M48-I59 HydrophobicContact CE-CG1 3.65Å; M48-I59 HydrophobicContact SD-CD1 3.41Å; M48-I59 WeakPolarHBondContact SD-CD1 3.3Å; M48-I59 HydrophobicContact SD-CG1 3.5Å; M48-I59 VanDerWaalsContact SD-CG1 3.5Å; L51-I59 HydrophobicContact CB-CD1 3.56Å; L51-I59 HydrophobicContact CB-CG1 3.85Å; L51-I59 HydrophobicContact CB-CG2 3.89Å; L51-I59 HydrophobicContact CD1-CD1 3.61Å; L51-I59 HydrophobicContact CG-CD1 4.23Å; D52-I59 HydrophobicContact CB-CG1 4.43Å; I59-E63 HydrophobicContact CG2-CB 4.28Å; I59-F64 HydrophobicContact CG2-CB 3.86Å; I59-F64 HydrophobicContact CG2-CD2 4.14Å
60T89.3Confident82.6Confident41 Ų4161.7 Ų61.725%0.25232%0.322SS..EExtended strand (participates in β ladder)trans-73.7157.4171.461.10000111V24 D62 E63 F64V24-T60 HydrophobicContact CG1-CG2 3.93Å; T60-D62 PolarHBondContact O-N 2.83Å; T60-E63 WeakPolarHBondContact CB-OE2 3.25Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.35Å; T60-E63 PolarHBondContact N-OE2 3.21Å; T60-E63 PolarHBondContact O-N 3.47Å; T60-E63 VanDerWaalsContact O-N 3.16Å; T60-E63 WeakPolarHBondContact OG1-CB 3.44Å; T60-E63 WeakPolarHBondContact OG1-CG 3.32Å; T60-E63 PolarHBondContact OG1-N 2.67Å; T60-E63 PolarHBondContact OG1-OE2 2.81Å; T60-F64 WeakPolarHBondContact O-CB 3.22Å; T60-F64 PolarHBondContact O-N 2.89Å
61L83.8Confident81.3Confident49 Ų4957.7 Ų57.726%0.25731%0.305SS..Hα-helixtrans-53.4-37.1173.5-168.586.4000111.5F14 F64 K65F14-L61 HydrophobicContact CB-CD1 4.12Å; F14-L61 HydrophobicContact CD1-CD1 3.81Å; F14-L61 HydrophobicContact CD2-CD1 4.03Å; F14-L61 HydrophobicContact CE1-CD1 4.2Å; F14-L61 HydrophobicContact CE2-CB 4.38Å; F14-L61 HydrophobicContact CE2-CD1 4.39Å; F14-L61 HydrophobicContact CG-CD1 3.71Å; F14-L61 HydrophobicContact CZ-CB 4.26Å; F14-L61 HydrophobicContact CZ-CD1 4.45Å; L61-F64 PolarHBondContact O-N 3.12Å; L61-K65 HydrophobicContact CD2-CD 4.45Å; L61-K65 HydrophobicContact CG-CD 4.37Å; L61-K65 WeakPolarHBondContact O-CB 3.4Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 3.04Å
62D82.2Confident79.7Confident100 Ų10062 Ų6254%0.53532%0.323SS..Hα-helixtrans-66.9-44.7-179.6-144.6-95.7000111.5T60 K65 T66 N71T60-D62 PolarHBondContact O-N 2.83Å; D62-K65 PolarHBondContact O-N 3.11Å; D62-T66 VanDerWaalsContact O-CB 3.32Å; D62-T66 WeakPolarHBondContact O-CB 3.43Å; D62-T66 PolarHBondContact O-N 3.27Å; D62-T66 PolarHBondContact O-OG1 2.81Å; D62-N71 PolarHBondContact O-ND2 3Å; D62-N71 PolarHBondContact OD1-ND2 3.39Å; D62-N71 PolarHBondContact OD2-ND2 2.8Å
63E86.2Confident78.1Confident15 Ų1567.6 Ų67.67%0.0735%0.349CS..Hα-helixtrans-65.9-42.1173.5-75.5170.9131.700112.4L51 L53 N54 I59 T60 K65 T66 A67L51-E63 WeakPolarHBondContact O-CB 3.29Å; L53-E63 HydrophobicContact CB-CG 4.28Å; L53-E63 HydrophobicContact CD1-CG 4.41Å; L53-E63 HydrophobicContact CG-CG 4.43Å; L53-E63 PolarHBondContact N-OE1 3.49Å; N54-E63 WeakPolarHBondContact CB-OE1 3.39Å; N54-E63 PolarHBondContact N-OE1 3.07Å; N54-E63 VanDerWaalsContact N-OE1 3.08Å; N54-E63 PolarHBondContact ND2-OE1 3.22Å; N54-E63 PolarHBondContact OD1-OE1 2.97Å; I59-E63 HydrophobicContact CG2-CB 4.28Å; T60-E63 WeakPolarHBondContact CB-OE2 3.25Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.35Å; T60-E63 PolarHBondContact N-OE2 3.21Å; T60-E63 PolarHBondContact O-N 3.47Å; T60-E63 VanDerWaalsContact O-N 3.16Å; T60-E63 WeakPolarHBondContact OG1-CB 3.44Å; T60-E63 WeakPolarHBondContact OG1-CG 3.32Å; T60-E63 PolarHBondContact OG1-N 2.67Å; T60-E63 PolarHBondContact OG1-OE2 2.81Å; E63-K65 PolarHBondContact O-N 3.26Å; E63-T66 PolarHBondContact O-N 3.33Å; E63-T66 VanDerWaalsContact O-N 3.12Å; E63-A67 VanDerWaalsContact O-CB 3.29Å; E63-A67 WeakPolarHBondContact O-CB 3.31Å; E63-A67 PolarHBondContact O-N 2.78Å
64F83.2Confident77.1Confident12 Ų1265.9 Ų65.95%0.05334%0.343CS..Hα-helixtrans-59.9-47.4176.3-167.2-110.9000111.1L10 V13 F14 L17 L51 I59 T60 L61 T66 L68L10-F64 HydrophobicContact CD2-CD1 3.64Å; L10-F64 HydrophobicContact CD2-CE1 3.44Å; L10-F64 VanDerWaalsContact CD2-CE1 3.44Å; V13-F64 HydrophobicContact CG1-CE1 4.38Å; V13-F64 HydrophobicContact CG1-CZ 3.91Å; F14-F64 HydrophobicContact CB-CD1 4.35Å; F14-F64 HydrophobicContact CB-CE1 4.37Å; F14-F64 HydrophobicContact CD2-CB 3.89Å; F14-F64 AromaticContact CD2-CD1 3.85Å; F14-F64 HydrophobicContact CD2-CD1 3.85Å; F14-F64 HydrophobicContact CD2-CD2 4.42Å; F14-F64 HydrophobicContact CD2-CE1 4.47Å; F14-F64 AromaticContact CD2-CG 3.82Å; F14-F64 HydrophobicContact CD2-CG 3.82Å; F14-F64 HydrophobicContact CE2-CB 4.04Å; F14-F64 HydrophobicContact CE2-CG 4.39Å; L17-F64 HydrophobicContact CD1-CE2 4.08Å; L17-F64 HydrophobicContact CD1-CZ 4.27Å; L51-F64 HydrophobicContact CD1-CD2 3.89Å; L51-F64 HydrophobicContact CD1-CE2 3.85Å; L51-F64 HydrophobicContact CD2-CD2 3.93Å; L51-F64 HydrophobicContact CD2-CE2 4.25Å; L51-F64 HydrophobicContact CG-CD2 4.46Å; I59-F64 HydrophobicContact CG2-CB 3.86Å; I59-F64 HydrophobicContact CG2-CD2 4.14Å; T60-F64 WeakPolarHBondContact O-CB 3.22Å; T60-F64 PolarHBondContact O-N 2.89Å; L61-F64 PolarHBondContact O-N 3.12Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 2.98Å; F64-L68 HydrophobicContact CD1-CD1 3.76Å; F64-L68 HydrophobicContact CD2-CD1 4.41Å; F64-L68 HydrophobicContact CE1-CD1 3.42Å; F64-L68 VanDerWaalsContact CE1-CD1 3.42Å; F64-L68 HydrophobicContact CE2-CD1 4.12Å; F64-L68 HydrophobicContact CG-CD1 4.25Å; F64-L68 HydrophobicContact CZ-CD1 3.61Å; F64-L68 WeakPolarHBondContact O-CB 3.47Å; F64-L68 VanDerWaalsContact O-CG 3.31Å; F64-L68 WeakPolarHBondContact O-CG 3.38Å; F64-L68 PolarHBondContact O-N 3.06Å; F64-L68 VanDerWaalsContact O-N 3.07Å
65K77.8Confident76.1Confident47 Ų4762.4 Ų62.420%0.20433%0.327CS..Hα-helixtrans-60.5-44.3172.7-73.9173.9174.6-174.50110.7L10 L61 D62 E63 L68 G69 L70 N71L10-K65 HydrophobicContact CD1-CG 3.98Å; L61-K65 HydrophobicContact CD2-CD 4.45Å; L61-K65 HydrophobicContact CG-CD 4.37Å; L61-K65 WeakPolarHBondContact O-CB 3.4Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 3.04Å; D62-K65 PolarHBondContact O-N 3.11Å; E63-K65 PolarHBondContact O-N 3.26Å; K65-L68 CarbonylContact O-C 3.58Å; K65-L68 PolarHBondContact O-N 3.46Å; K65-G69 PolarHBondContact O-N 2.96Å; K65-G69 VanDerWaalsContact O-N 3.12Å; K65-L70 HydrophobicContact CB-CB 4.31Å; K65-L70 CarbonylContact O-C 3.59Å; K65-L70 WeakPolarHBondContact O-CA 3.47Å; K65-L70 PolarHBondContact O-N 3.41Å; K65-N71 HydrophobicContact CB-CB 3.6Å; K65-N71 PolarHBondContact O-N 3.29Å
66T77.3Confident75.4Confident57 Ų5755.9 Ų55.935%0.3531%0.313SS..Hα-helixtrans-64.3-47-175.9-59.70000110.6L53 D62 E63 F64 L68 G69 N71L53-T66 HydrophobicContact CD1-CG2 3.52Å; D62-T66 VanDerWaalsContact O-CB 3.32Å; D62-T66 WeakPolarHBondContact O-CB 3.43Å; D62-T66 PolarHBondContact O-N 3.27Å; D62-T66 PolarHBondContact O-OG1 2.81Å; E63-T66 PolarHBondContact O-N 3.33Å; E63-T66 VanDerWaalsContact O-N 3.12Å; F64-T66 VanDerWaalsContact C-N 3.34Å; F64-T66 PolarHBondContact O-N 2.98Å; T66-L68 VanDerWaalsContact C-N 3.3Å; T66-L68 PolarHBondContact O-N 2.73Å; T66-G69 WeakPolarHBondContact O-CA 3.39Å; T66-G69 PolarHBondContact O-N 3.12Å; T66-N71 VanDerWaalsContact OG1-CB 3.25Å; T66-N71 WeakPolarHBondContact OG1-CB 3.46Å
67A76.3Confident74.6Confident42 Ų4256 Ų5635%0.34731%0.312SS..Hα-helixtrans-67.2-31-179.600000112.7Q50 L51 E63 G69Q50-A67 WeakPolarHBondContact O-CB 3.37Å; L51-A67 HydrophobicContact CD2-CB 3.47Å; L51-A67 VanDerWaalsContact CD2-CB 3.47Å; E63-A67 VanDerWaalsContact O-CB 3.29Å; E63-A67 WeakPolarHBondContact O-CB 3.31Å; E63-A67 PolarHBondContact O-N 2.78Å; A67-G69 PolarHBondContact O-N 3.46Å
68L72Confident74.2Confident79 Ų7957.9 Ų57.941%0.41431%0.311SS..THydrogen-bonded Turntrans-81.40.1171.6-67173000113.4L10 F64 K65 T66 L70L10-L68 HydrophobicContact CD2-CD1 3.35Å; F64-L68 HydrophobicContact CD1-CD1 3.76Å; F64-L68 HydrophobicContact CD2-CD1 4.41Å; F64-L68 HydrophobicContact CE1-CD1 3.42Å; F64-L68 VanDerWaalsContact CE1-CD1 3.42Å; F64-L68 HydrophobicContact CE2-CD1 4.12Å; F64-L68 HydrophobicContact CG-CD1 4.25Å; F64-L68 HydrophobicContact CZ-CD1 3.61Å; F64-L68 WeakPolarHBondContact O-CB 3.47Å; F64-L68 VanDerWaalsContact O-CG 3.31Å; F64-L68 WeakPolarHBondContact O-CG 3.38Å; F64-L68 PolarHBondContact O-N 3.06Å; F64-L68 VanDerWaalsContact O-N 3.07Å; K65-L68 CarbonylContact O-C 3.58Å; K65-L68 PolarHBondContact O-N 3.46Å; T66-L68 VanDerWaalsContact C-N 3.3Å; T66-L68 PolarHBondContact O-N 2.73Å; L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CB-CD1 3.69Å; L68-L70 HydrophobicContact CB-CG 4.18Å; L68-L70 HydrophobicContact CD1-CD1 4.46Å; L68-L70 PolarHBondContact O-N 3.35Å
69G67.2Low73.8Confident33 Ų3359.7 Ų59.734%0.3432%0.317SS..THydrogen-bonded Turntrans7416.4-179.600000114K65 T66 A67 K72K65-G69 PolarHBondContact O-N 2.96Å; K65-G69 VanDerWaalsContact O-N 3.12Å; T66-G69 WeakPolarHBondContact O-CA 3.39Å; T66-G69 PolarHBondContact O-N 3.12Å; A67-G69 PolarHBondContact O-N 3.46Å; G69-K72 WeakPolarHBondContact O-CG 3.48Å
70L62.4Low73.5Confident64 Ų6468.3 Ų68.334%0.33535%0.35SS..  trans-97.9-18.3-176.6-63.8163.1000111.8L5 L10 K65 L68 K72L5-L70 HydrophobicContact CB-CD1 4.21Å; L5-L70 WeakPolarHBondContact O-CD2 3.22Å; L10-L70 HydrophobicContact CD1-CB 3.85Å; L10-L70 HydrophobicContact CD1-CD1 3.18Å; L10-L70 HydrophobicContact CD1-CG 4.01Å; L10-L70 HydrophobicContact CD2-CD1 3.76Å; L10-L70 HydrophobicContact CG-CD1 3.49Å; L10-L70 VanDerWaalsContact CG-CD1 3.49Å; K65-L70 HydrophobicContact CB-CB 4.31Å; K65-L70 CarbonylContact O-C 3.59Å; K65-L70 WeakPolarHBondContact O-CA 3.47Å; K65-L70 PolarHBondContact O-N 3.41Å; L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CB-CD1 3.69Å; L68-L70 HydrophobicContact CB-CG 4.18Å; L68-L70 HydrophobicContact CD1-CD1 4.46Å; L68-L70 PolarHBondContact O-N 3.35Å; L70-K72 VanDerWaalsContact C-N 3.34Å
71N57.3Low73.3Confident47 Ų4769.4 Ų69.425%0.25135%0.353SS..  trans-99.628164.9-122.816.5000112.3D62 K65 T66 E73D62-N71 PolarHBondContact O-ND2 3Å; D62-N71 PolarHBondContact OD1-ND2 3.39Å; D62-N71 PolarHBondContact OD2-ND2 2.8Å; K65-N71 HydrophobicContact CB-CB 3.6Å; K65-N71 PolarHBondContact O-N 3.29Å; T66-N71 VanDerWaalsContact OG1-CB 3.25Å; T66-N71 WeakPolarHBondContact OG1-CB 3.46Å; N71-E73 PolarHBondContact O-N 2.67Å
72K53Low73.5Confident108 Ų10867.5 Ų67.547%0.4734%0.343SS..  trans-61.299.2156-70.9-172.2-175.21770105.1G69 L70 P74 E77G69-K72 WeakPolarHBondContact O-CG 3.48Å; L70-K72 VanDerWaalsContact C-N 3.34Å; K72-P74 WeakPolarHBondContact O-CD 3.17Å; K72-E77 HydrophobicContact CB-CG 4.36Å; K72-E77 HydrophobicContact CD-CG 3.83Å; K72-E77 VanDerWaalsContact CD-OE1 3.28Å; K72-E77 WeakPolarHBondContact CD-OE1 3.47Å; K72-E77 IonicContact NZ-OE1 2.9Å; K72-E77 PolarHBondContact NZ-OE1 2.91Å
73E55.8Low73.7Confident130 Ų13067.7 Ų67.761%0.60734%0.343SS*.  trans-42.8121.2165.2-76.2-168.78800105.2N71 A75 A76N71-E73 PolarHBondContact O-N 2.67Å; E73-A75 HydrophobicContact CB-CB 4.27Å; E73-A75 PolarHBondContact O-N 3.37Å; E73-A76 PolarHBondContact O-N 3.34Å
74P62.6Low73.8Confident59 Ų5972 Ų7238%0.38336%0.363SS..Hα-helixtrans-49.5-34.6177.6-23.129.6000108.3K72 A76 E77 W78 Y135K72-P74 WeakPolarHBondContact O-CD 3.17Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.49Å; P74-E77 PolarHBondContact O-N 2.84Å; P74-W78 VanDerWaalsContact CB-CD1 3.49Å; P74-W78 WeakPolarHBondContact O-CB 3.01Å; P74-W78 PolarHBondContact O-N 3.39Å; P74-Y135 HydrophobicContact CB-CE2 4.13Å
75A66.9Low74Confident19 Ų1971.6 Ų71.616%0.15736%0.362CS..Hα-helixtrans-53-41.517600000113.5E73 R79 F131 Y135E73-A75 HydrophobicContact CB-CB 4.27Å; E73-A75 PolarHBondContact O-N 3.37Å; A75-R79 WeakPolarHBondContact O-CA 3.49Å; A75-R79 WeakPolarHBondContact O-CB 3.19Å; A75-R79 PolarHBondContact O-N 2.84Å; A75-F131 HydrophobicContact CB-CZ 4.36Å; A75-Y135 HydrophobicContact CB-CD2 4.34Å; A75-Y135 HydrophobicContact CB-CE2 3.7Å; A75-Y135 VanDerWaalsContact N-CE2 3.26Å
76A70.6Confident74.7Confident51 Ų5169.9 Ų69.942%0.42136%0.355SS..Hα-helixtrans-71.1-40-178.600000112.6E73 P74 R80E73-A76 PolarHBondContact O-N 3.34Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.49Å; A76-R80 WeakPolarHBondContact O-CG 3.21Å; A76-R80 PolarHBondContact O-N 3.36Å
77E72.7Confident75.2Confident87 Ų8773.3 Ų73.341%0.40737%0.367SS..Hα-helixtrans-72.1-44174.4-69-154.9128.200111.6K72 P74 R79 R80 L81K72-E77 HydrophobicContact CB-CG 4.36Å; K72-E77 HydrophobicContact CD-CG 3.83Å; K72-E77 VanDerWaalsContact CD-OE1 3.28Å; K72-E77 WeakPolarHBondContact CD-OE1 3.47Å; K72-E77 IonicContact NZ-OE1 2.9Å; K72-E77 PolarHBondContact NZ-OE1 2.91Å; P74-E77 PolarHBondContact O-N 2.84Å; E77-R79 PolarHBondContact O-N 2.95Å; E77-R80 WeakPolarHBondContact O-CB 3.38Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 VanDerWaalsContact O-N 3.12Å; E77-L81 PolarHBondContact O-N 2.85Å
78W80.1Confident75.9Confident62 Ų6276 Ų7624%0.23538%0.376CS..Hα-helixtrans-62.6-32.9174.4-68.9126.4000111.9P74 L81 F82 F134 Y135 V138 L142P74-W78 VanDerWaalsContact CB-CD1 3.49Å; P74-W78 WeakPolarHBondContact O-CB 3.01Å; P74-W78 PolarHBondContact O-N 3.39Å; W78-L81 HydrophobicContact CD2-CD1 4.46Å; W78-L81 HydrophobicContact CE3-CD1 3.54Å; W78-L81 HydrophobicContact CZ3-CD1 3.6Å; W78-L81 PolarHBondContact O-N 3.29Å; W78-F82 VanDerWaalsContact O-CB 3.23Å; W78-F82 WeakPolarHBondContact O-CB 3.34Å; W78-F82 PolarHBondContact O-N 3.27Å; W78-F134 HydrophobicContact CB-CE1 4.33Å; W78-F134 AromaticContact CE3-CE1 3.83Å; W78-F134 HydrophobicContact CE3-CE1 3.83Å; W78-F134 AromaticContact CE3-CZ 3.93Å; W78-F134 HydrophobicContact CE3-CZ 3.93Å; W78-F134 HydrophobicContact CZ3-CZ 4.25Å; W78-Y135 HydrophobicContact CB-CD2 4.02Å; W78-Y135 HydrophobicContact CB-CE2 4.42Å; W78-Y135 AromaticContact CD1-CE2 3.8Å; W78-Y135 HydrophobicContact CG-CD2 4.29Å; W78-Y135 HydrophobicContact CG-CE2 4.45Å; W78-V138 HydrophobicContact CB-CG2 4.31Å; W78-V138 HydrophobicContact CD2-CB 3.96Å; W78-V138 HydrophobicContact CD2-CG2 3.49Å; W78-V138 VanDerWaalsContact CD2-CG2 3.49Å; W78-V138 HydrophobicContact CE3-CB 4.11Å; W78-V138 HydrophobicContact CE3-CG1 4.19Å; W78-V138 HydrophobicContact CE3-CG2 3.91Å; W78-V138 HydrophobicContact CG-CG2 3.64Å; W78-V138 HydrophobicContact CH2-CB 4.01Å; W78-V138 HydrophobicContact CH2-CG1 4.19Å; W78-V138 HydrophobicContact CZ2-CB 3.83Å; W78-V138 HydrophobicContact CZ2-CG2 4.23Å; W78-V138 HydrophobicContact CZ3-CB 4.14Å; W78-V138 HydrophobicContact CZ3-CG1 4.01Å; W78-V138 HydrophobicContact CZ3-CG2 4.44Å; W78-L142 HydrophobicContact CZ2-CD1 3.76Å
79R84.3Confident76.6Confident151 Ų15182.4 Ų82.457%0.5739%0.394SS*.Hα-helixtrans-72.2-35.1174.4-168.6166.1-167.71735.8112A75 E77 F82 I83 F131A75-R79 WeakPolarHBondContact O-CA 3.49Å; A75-R79 WeakPolarHBondContact O-CB 3.19Å; A75-R79 PolarHBondContact O-N 2.84Å; E77-R79 PolarHBondContact O-N 2.95Å; R79-F82 PolarHBondContact O-N 3.45Å; R79-I83 HydrophobicContact CG-CD1 4.24Å; R79-I83 WeakPolarHBondContact O-CD1 3.42Å; R79-I83 VanDerWaalsContact O-CG1 3.22Å; R79-I83 WeakPolarHBondContact O-CG1 2.95Å; R79-I83 PolarHBondContact O-N 2.77Å; R79-F131 VanDerWaalsContact CA-CE2 3.42Å; R79-F131 HydrophobicContact CB-CD2 4.31Å; R79-F131 HydrophobicContact CB-CE2 3.53Å; R79-F131 HydrophobicContact CB-CZ 3.76Å; R79-F131 HydrophobicContact CG-CD2 4.33Å; R79-F131 HydrophobicContact CG-CE2 3.99Å; R79-F131 HydrophobicContact CG-CZ 4.25Å
80R83.6Confident77.8Confident182 Ų18283.4 Ų83.469%0.68740%0.396SS*.Hα-helixtrans-65.5-44.8171-76.8179.2-178.6175.22.5111.4A76 E77 F82 I83 Q84A76-R80 WeakPolarHBondContact O-CG 3.21Å; A76-R80 PolarHBondContact O-N 3.36Å; E77-R80 WeakPolarHBondContact O-CB 3.38Å; E77-R80 PolarHBondContact O-N 3.23Å; E77-R80 VanDerWaalsContact O-N 3.12Å; R80-F82 VanDerWaalsContact C-N 3.35Å; R80-I83 PolarHBondContact O-N 2.69Å; R80-Q84 WeakPolarHBondContact O-CB 3.28Å; R80-Q84 PolarHBondContact O-N 3.2Å
81L83.9Confident79.2Confident63 Ų6382 Ų8233%0.3340%0.397SS..Hα-helixtrans-61.1-45.3174.2-74.6171.6000110.8E77 W78 I83 Q84 I85E77-L81 PolarHBondContact O-N 2.85Å; W78-L81 HydrophobicContact CD2-CD1 4.46Å; W78-L81 HydrophobicContact CE3-CD1 3.54Å; W78-L81 HydrophobicContact CZ3-CD1 3.6Å; W78-L81 PolarHBondContact O-N 3.29Å; L81-I83 PolarHBondContact O-N 3.01Å; L81-Q84 CarbonylContact O-C 3.58Å; L81-Q84 WeakPolarHBondContact O-CA 3.4Å; L81-Q84 WeakPolarHBondContact O-CB 3.46Å; L81-Q84 PolarHBondContact O-N 2.75Å; L81-I85 WeakPolarHBondContact O-CD1 3.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 3.25Å
82F87.9Confident81Confident10 Ų1082.3 Ų82.34%0.04440%0.397CS..Hα-helixtrans-54.3-50.6176.1-175.6-83.9000111.6W78 R79 R80 Q84 I85 D86 G91 I93 L129 F131 F134W78-F82 VanDerWaalsContact O-CB 3.23Å; W78-F82 WeakPolarHBondContact O-CB 3.34Å; W78-F82 PolarHBondContact O-N 3.27Å; R79-F82 PolarHBondContact O-N 3.45Å; R80-F82 VanDerWaalsContact C-N 3.35Å; F82-Q84 PolarHBondContact O-N 2.73Å; F82-I85 PolarHBondContact O-N 3.35Å; F82-I85 VanDerWaalsContact O-N 3.11Å; F82-D86 HydrophobicContact CD1-CB 4.44Å; F82-D86 HydrophobicContact CE1-CB 4.18Å; F82-D86 VanDerWaalsContact O-CB 3.31Å; F82-D86 WeakPolarHBondContact O-CB 3.13Å; F82-D86 PolarHBondContact O-N 3.07Å; F82-G91 VanDerWaalsContact CZ-O 3.3Å; F82-G91 WeakPolarHBondContact CZ-O 3.31Å; F82-I93 HydrophobicContact CD2-CD1 3.28Å; F82-I93 HydrophobicContact CD2-CG1 3.88Å; F82-I93 HydrophobicContact CE2-CD1 3.48Å; F82-I93 VanDerWaalsContact CE2-CD1 3.48Å; F82-I93 HydrophobicContact CE2-CG1 3.58Å; F82-I93 HydrophobicContact CG-CD1 4.04Å; F82-I93 HydrophobicContact CZ-CD1 4.36Å; F82-I93 HydrophobicContact CZ-CG1 4.03Å; F82-L129 WeakPolarHBondContact CE2-O 3.38Å; F82-F131 HydrophobicContact CB-CD2 3.96Å; F82-F131 HydrophobicContact CB-CE2 4.43Å; F82-F131 HydrophobicContact CD1-CD2 4.47Å; F82-F131 HydrophobicContact CD2-CB 4.27Å; F82-F131 HydrophobicContact CD2-CD2 4.03Å; F82-F131 HydrophobicContact CE1-CB 4.48Å; F82-F131 HydrophobicContact CE2-CB 4.17Å; F82-F131 HydrophobicContact CG-CB 4.48Å; F82-F131 AromaticContact CG-CD2 3.89Å; F82-F131 HydrophobicContact CG-CD2 3.89Å; F82-F131 HydrophobicContact CZ-CB 4.29Å; F82-F134 HydrophobicContact CD2-CB 4.12Å; F82-F134 HydrophobicContact CD2-CD1 4.04Å; F82-F134 HydrophobicContact CD2-CG 4.17Å; F82-F134 HydrophobicContact CE2-CB 4.33Å
83I87.6Confident82.8Confident103 Ų10377.1 Ų77.153%0.52837%0.374SS..Hα-helixtrans-63.7-27.7177.6-67.7164.6000112.3R79 R80 L81R79-I83 HydrophobicContact CG-CD1 4.24Å; R79-I83 WeakPolarHBondContact O-CD1 3.42Å; R79-I83 VanDerWaalsContact O-CG1 3.22Å; R79-I83 WeakPolarHBondContact O-CG1 2.95Å; R79-I83 PolarHBondContact O-N 2.77Å; R80-I83 PolarHBondContact O-N 2.69Å; L81-I83 PolarHBondContact O-N 3.01Å
84Q86.8Confident84.6Confident106 Ų10672.5 Ų72.550%0.49535%0.354SS..Hα-helixtrans-76.9-32.9175.9-175.3177-16.500111.9R80 L81 F82 E104R80-Q84 WeakPolarHBondContact O-CB 3.28Å; R80-Q84 PolarHBondContact O-N 3.2Å; L81-Q84 CarbonylContact O-C 3.58Å; L81-Q84 WeakPolarHBondContact O-CA 3.4Å; L81-Q84 WeakPolarHBondContact O-CB 3.46Å; L81-Q84 PolarHBondContact O-N 2.75Å; F82-Q84 PolarHBondContact O-N 2.73Å; Q84-E104 PolarHBondContact NE2-OE1 3.04Å
85I88.4Confident86Confident4 Ų470.2 Ų70.22%0.02134%0.339CS..Hα-helixtrans-77.9-45.3178.9-59.6157.4000110.6L81 F82 Q87 I93 E97 L101 F134L81-I85 WeakPolarHBondContact O-CD1 3.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 3.25Å; F82-I85 PolarHBondContact O-N 3.35Å; F82-I85 VanDerWaalsContact O-N 3.11Å; I85-Q87 VanDerWaalsContact C-N 3.27Å; I85-Q87 PolarHBondContact O-N 2.94Å; I85-I93 HydrophobicContact CB-CD1 3.89Å; I85-I93 HydrophobicContact CB-CG1 4.18Å; I85-I93 HydrophobicContact CD1-CD1 3.97Å; I85-I93 HydrophobicContact CG2-CB 4.36Å; I85-I93 HydrophobicContact CG2-CD1 3.81Å; I85-I93 HydrophobicContact CG2-CG1 3.85Å; I85-I93 HydrophobicContact CG2-CG2 3.59Å; I85-E97 HydrophobicContact CG2-CB 4.08Å; I85-E97 WeakPolarHBondContact O-CB 3.38Å; I85-L101 HydrophobicContact CD1-CD1 4.4Å; I85-L101 HydrophobicContact CD1-CD2 3.59Å; I85-L101 HydrophobicContact CD1-CG 4.44Å; I85-L101 HydrophobicContact CG1-CB 4.14Å; I85-L101 HydrophobicContact CG1-CD1 3.89Å; I85-L101 HydrophobicContact CG1-CD2 3.82Å; I85-L101 HydrophobicContact CG1-CG 4.15Å; I85-F134 HydrophobicContact CD1-CE2 4.35Å; I85-F134 HydrophobicContact CD1-CZ 4.15Å
86D91.7Very high87.2Confident11 Ų1173.2 Ų73.26%0.05935%0.352CS..  trans-69.178.3176.217718.8000110.4F82 D88 R89 S90 G91 I93 E97F82-D86 HydrophobicContact CD1-CB 4.44Å; F82-D86 HydrophobicContact CE1-CB 4.18Å; F82-D86 VanDerWaalsContact O-CB 3.31Å; F82-D86 WeakPolarHBondContact O-CB 3.13Å; F82-D86 PolarHBondContact O-N 3.07Å; D86-D88 VanDerWaalsContact OD1-OD1 3.1Å; D86-R89 PolarHBondContact O-N 3.01Å; D86-R89 WeakPolarHBondContact OD1-CA 3.11Å; D86-R89 PolarHBondContact OD1-N 3.06Å; D86-R89 WeakPolarHBondContact OD2-CA 3.27Å; D86-S90 PolarHBondContact OD1-N 3.16Å; D86-S90 PolarHBondContact OD1-OG 2.83Å; D86-G91 VanDerWaalsContact OD2-CA 3.25Å; D86-G91 WeakPolarHBondContact OD2-CA 3.45Å; D86-G91 PolarHBondContact OD2-N 3.49Å; D86-I93 HydrophobicContact CB-CG1 4.47Å; D86-E97 WeakPolarHBondContact CA-OE1 3.23Å
87Q87.7Confident88.2Confident129 Ų12971.3 Ų71.360%0.60334%0.335SS*.SBendtrans-72.1-35.2-173.6-71.7-176.617.500111.3I85 E97I85-Q87 VanDerWaalsContact C-N 3.27Å; I85-Q87 PolarHBondContact O-N 2.94Å; Q87-E97 PolarHBondContact N-OE1 3.04Å
88D91.6Very high89Confident99 Ų9967.3 Ų67.353%0.52932%0.316SS..SBendtrans-81.3-8.8178.582.3-6.5000112.9D86 S90 E97D86-D88 VanDerWaalsContact OD1-OD1 3.1Å; D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 3Å; D88-S90 PolarHBondContact OD1-OG 3.21Å; D88-E97 PolarHBondContact N-OE1 3.49Å
89R87.6Confident89.5Confident213 Ų21368.2 Ų68.280%0.80432%0.322SS*.  trans59.433.1-178.7-56.1-176179.3-171.9-0.3112.2D86 G91D86-R89 PolarHBondContact O-N 3.01Å; D86-R89 WeakPolarHBondContact OD1-CA 3.11Å; D86-R89 PolarHBondContact OD1-N 3.06Å; D86-R89 WeakPolarHBondContact OD2-CA 3.27Å; R89-G91 PolarHBondContact O-N 3.36Å
90S92.4Very high89.7Confident53 Ų5363.1 Ų63.137%0.37131%0.309SS..SBendtrans-69.2-18.4174.961.40000112.1D86 D88 E92D86-S90 PolarHBondContact OD1-N 3.16Å; D86-S90 PolarHBondContact OD1-OG 2.83Å; D88-S90 PolarHBondContact O-N 2.84Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 3Å; D88-S90 PolarHBondContact OD1-OG 3.21Å; S90-E92 VanDerWaalsContact C-N 3.34Å; S90-E92 PolarHBondContact OG-N 3.39Å; S90-E92 PolarHBondContact OG-O 3.14Å; S90-E92 VanDerWaalsContact OG-O 3.04Å
91G90.8Very high89.8Confident36 Ų3656.3 Ų56.337%0.37129%0.286SS..SBendtrans869.1-174.100000113.1F82 D86 R89F82-G91 VanDerWaalsContact CZ-O 3.3Å; F82-G91 WeakPolarHBondContact CZ-O 3.31Å; D86-G91 VanDerWaalsContact OD2-CA 3.25Å; D86-G91 WeakPolarHBondContact OD2-CA 3.45Å; D86-G91 PolarHBondContact OD2-N 3.49Å; R89-G91 PolarHBondContact O-N 3.36Å
92E94.5Very high89.9Confident52 Ų5256 Ų5624%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-141.4141.1-179.5-56.8179.8123.400109S90 N126 K128 L129S90-E92 VanDerWaalsContact C-N 3.34Å; S90-E92 PolarHBondContact OG-N 3.39Å; S90-E92 PolarHBondContact OG-O 3.14Å; S90-E92 VanDerWaalsContact OG-O 3.04Å; E92-N126 PolarHBondContact OE1-ND2 3.31Å; E92-K128 HydrophobicContact CB-CB 3.94Å; E92-K128 HydrophobicContact CB-CD 3.79Å; E92-K128 WeakPolarHBondContact OE2-CD 3.24Å; E92-K128 IonicContact OE2-NZ 3.06Å; E92-L129 CarbonylContact C-O 3.52Å; E92-L129 WeakPolarHBondContact CA-O 3.21Å
93I92Very high89.8Confident0 Ų059.3 Ų59.30%030%0.3CS..EExtended strand (participates in β ladder)trans-93.4119.9177.9-66.1168.6000109.6F82 I85 D86 E97 L98 K128 L129 F134F82-I93 HydrophobicContact CD2-CD1 3.28Å; F82-I93 HydrophobicContact CD2-CG1 3.88Å; F82-I93 HydrophobicContact CE2-CD1 3.48Å; F82-I93 VanDerWaalsContact CE2-CD1 3.48Å; F82-I93 HydrophobicContact CE2-CG1 3.58Å; F82-I93 HydrophobicContact CG-CD1 4.04Å; F82-I93 HydrophobicContact CZ-CD1 4.36Å; F82-I93 HydrophobicContact CZ-CG1 4.03Å; I85-I93 HydrophobicContact CB-CD1 3.89Å; I85-I93 HydrophobicContact CB-CG1 4.18Å; I85-I93 HydrophobicContact CD1-CD1 3.97Å; I85-I93 HydrophobicContact CG2-CB 4.36Å; I85-I93 HydrophobicContact CG2-CD1 3.81Å; I85-I93 HydrophobicContact CG2-CG1 3.85Å; I85-I93 HydrophobicContact CG2-CG2 3.59Å; D86-I93 HydrophobicContact CB-CG1 4.47Å; I93-E97 WeakPolarHBondContact CA-OE2 3.44Å; I93-E97 HydrophobicContact CG2-CB 4.24Å; I93-L98 HydrophobicContact CG2-CB 3.89Å; I93-L98 HydrophobicContact CG2-CD1 4.3Å; I93-K128 WeakPolarHBondContact O-CA 3.43Å; I93-K128 WeakPolarHBondContact O-CB 3.35Å; I93-L129 HydrophobicContact CB-CB 4.49Å; I93-L129 PolarHBondContact N-O 3.27Å; I93-L129 PolarHBondContact O-N 3.14Å; I93-F134 HydrophobicContact CD1-CD2 4.14Å; I93-F134 HydrophobicContact CD1-CE2 4.47Å; I93-F134 HydrophobicContact CD1-CG 4.3Å
94D92.8Very high89.6Confident32 Ų3261 Ų6117%0.17131%0.306CS..  trans-90.5166.7169.884.760.9000113.2N96 E97 L98 K128D94-N96 PolarHBondContact O-N 3.08Å; D94-N96 WeakPolarHBondContact OD1-CA 3.41Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 2.82Å; D94-N96 PolarHBondContact OD1-ND2 2.82Å; D94-E97 PolarHBondContact N-OE2 2.77Å; D94-E97 WeakPolarHBondContact O-CB 3.3Å; D94-E97 PolarHBondContact O-N 2.79Å; D94-E97 VanDerWaalsContact O-N 3.17Å; D94-E97 PolarHBondContact OD1-N 2.97Å; D94-L98 PolarHBondContact O-N 3.23Å; D94-K128 HydrophobicContact CB-CD 4.47Å; D94-K128 HydrophobicContact CB-CG 4.15Å
95V92.2Very high89.2Confident11 Ų1159.9 Ų59.97%0.06731%0.307CS..Hα-helixtrans-57.9-31.3-178.266.70000114.6K99 R111 L114 I118V95-K99 WeakPolarHBondContact O-CB 3.36Å; V95-K99 PolarHBondContact O-N 3.4Å; V95-R111 VanDerWaalsContact CG1-CZ 3.45Å; V95-R111 HydrophobicContact CG2-CG 4.1Å; V95-L114 HydrophobicContact CG2-CB 3.7Å; V95-I118 VanDerWaalsContact CA-CD1 3.43Å; V95-I118 HydrophobicContact CB-CD1 3.56Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å
96N92.2Very high88.9Confident83 Ų8362.9 Ų62.944%0.44434%0.338SS..Hα-helixtrans-77.7-35.9179.1-45.8-69.1000111.3D94 K99 S100 R111D94-N96 PolarHBondContact O-N 3.08Å; D94-N96 WeakPolarHBondContact OD1-CA 3.41Å; D94-N96 WeakPolarHBondContact OD1-CB 3.47Å; D94-N96 PolarHBondContact OD1-N 2.82Å; D94-N96 PolarHBondContact OD1-ND2 2.82Å; N96-K99 PolarHBondContact O-N 2.87Å; N96-S100 WeakPolarHBondContact O-CB 3.46Å; N96-S100 PolarHBondContact O-N 2.79Å; N96-S100 PolarHBondContact O-OG 3.32Å; N96-R111 PolarHBondContact OD1-NH2 3.33Å
97E92.4Very high88.4Confident11 Ų1167.8 Ų67.85%0.05136%0.362CS..Hα-helixtrans-65.4-47.9172.5-69.7-177.9131.300110.7I85 D86 Q87 D88 I93 D94 K99 S100 L101I85-E97 HydrophobicContact CG2-CB 4.08Å; I85-E97 WeakPolarHBondContact O-CB 3.38Å; D86-E97 WeakPolarHBondContact CA-OE1 3.23Å; Q87-E97 PolarHBondContact N-OE1 3.04Å; D88-E97 PolarHBondContact N-OE1 3.49Å; I93-E97 WeakPolarHBondContact CA-OE2 3.44Å; I93-E97 HydrophobicContact CG2-CB 4.24Å; D94-E97 PolarHBondContact N-OE2 2.77Å; D94-E97 WeakPolarHBondContact O-CB 3.3Å; D94-E97 PolarHBondContact O-N 2.79Å; D94-E97 VanDerWaalsContact O-N 3.17Å; D94-E97 PolarHBondContact OD1-N 2.97Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.12Å; E97-S100 WeakPolarHBondContact O-CB 3.25Å; E97-S100 PolarHBondContact O-N 3.49Å; E97-S100 VanDerWaalsContact O-N 3.08Å; E97-L101 PolarHBondContact O-N 3.16Å; E97-L101 VanDerWaalsContact O-N 3.15Å
98L88.4Confident88.2Confident3 Ų368.2 Ų68.22%0.01637%0.374CS..Hα-helixtrans-60.4-41.3174.8-168.868.7000111.5I93 D94 S100 L101 F102 L114 W117 I118I93-L98 HydrophobicContact CG2-CB 3.89Å; I93-L98 HydrophobicContact CG2-CD1 4.3Å; D94-L98 PolarHBondContact O-N 3.23Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 3.39Å; L98-L101 WeakPolarHBondContact O-CB 3.01Å; L98-L101 PolarHBondContact O-N 3.49Å; L98-F102 HydrophobicContact CD1-CE2 4.24Å; L98-F102 HydrophobicContact CD2-CE2 4.43Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 HydrophobicContact CG-CE2 3.95Å; L98-F102 WeakPolarHBondContact O-CD2 3.15Å; L98-F102 PolarHBondContact O-N 3.45Å; L98-L114 HydrophobicContact CD2-CB 4.47Å; L98-L114 HydrophobicContact CD2-CD2 3.9Å; L98-L114 HydrophobicContact CG-CD2 4.27Å; L98-W117 HydrophobicContact CD1-CZ3 3.99Å; L98-W117 HydrophobicContact CD2-CE3 3.41Å; L98-W117 VanDerWaalsContact CD2-CE3 3.41Å; L98-W117 HydrophobicContact CD2-CZ3 3.43Å; L98-W117 VanDerWaalsContact CD2-CZ3 3.43Å; L98-W117 HydrophobicContact CG-CZ3 4.38Å; L98-I118 HydrophobicContact CD2-CD1 4.21Å; L98-I118 HydrophobicContact CD2-CG1 4.14Å
99K90.4Very high87.9Confident81 Ų8165.2 Ų65.235%0.35236%0.359SS..Hα-helixtrans-61.2-41175-175179.1174.8-168.50111.8V95 N96 E97 L101 F102 D103 L114V95-K99 WeakPolarHBondContact O-CB 3.36Å; V95-K99 PolarHBondContact O-N 3.4Å; N96-K99 PolarHBondContact O-N 2.87Å; E97-K99 VanDerWaalsContact C-N 3.3Å; E97-K99 PolarHBondContact O-N 3.12Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 2.91Å; K99-F102 PolarHBondContact O-N 3.37Å; K99-F102 VanDerWaalsContact O-N 3.14Å; K99-D103 PolarHBondContact O-N 3.4Å; K99-L114 HydrophobicContact CB-CD1 3.54Å; K99-L114 HydrophobicContact CG-CD1 3.96Å
100S88.8Confident88Confident43 Ų4358.1 Ų58.130%0.30134%0.342SS..Hα-helixtrans-61.9-36.5179.7-60.90000111.6N96 E97 L98 D103 E104N96-S100 WeakPolarHBondContact O-CB 3.46Å; N96-S100 PolarHBondContact O-N 2.79Å; N96-S100 PolarHBondContact O-OG 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.25Å; E97-S100 PolarHBondContact O-N 3.49Å; E97-S100 VanDerWaalsContact O-N 3.08Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 3.39Å; S100-D103 PolarHBondContact O-N 3.27Å; S100-E104 WeakPolarHBondContact O-CB 3.31Å; S100-E104 PolarHBondContact O-N 2.86Å
101L86.1Confident87.9Confident39 Ų3961 Ų6120%0.20435%0.345CS..Hα-helixtrans-60.3-47.8172.1178.273.7000112.2I85 E97 L98 K99 D103 E104 T105I85-L101 HydrophobicContact CD1-CD1 4.4Å; I85-L101 HydrophobicContact CD1-CD2 3.59Å; I85-L101 HydrophobicContact CD1-CG 4.44Å; I85-L101 HydrophobicContact CG1-CB 4.14Å; I85-L101 HydrophobicContact CG1-CD1 3.89Å; I85-L101 HydrophobicContact CG1-CD2 3.82Å; I85-L101 HydrophobicContact CG1-CG 4.15Å; E97-L101 PolarHBondContact O-N 3.16Å; E97-L101 VanDerWaalsContact O-N 3.15Å; L98-L101 WeakPolarHBondContact O-CB 3.01Å; L98-L101 PolarHBondContact O-N 3.49Å; K99-L101 VanDerWaalsContact C-N 3.27Å; K99-L101 PolarHBondContact O-N 2.91Å; L101-D103 VanDerWaalsContact C-N 3.34Å; L101-E104 PolarHBondContact O-N 2.85Å; L101-T105 WeakPolarHBondContact O-CG2 3.41Å; L101-T105 PolarHBondContact O-N 3.42Å; L101-T105 PolarHBondContact O-OG1 2.95Å
102F85.5Confident87.9Confident57 Ų5764.3 Ų64.325%0.2536%0.358CS..Hα-helixtrans-63.4-43.2178.7-75.9-71.4000111.3L98 K99 E104 T105 G106 M107 V109 L114L98-F102 HydrophobicContact CD1-CE2 4.24Å; L98-F102 HydrophobicContact CD2-CE2 4.43Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 HydrophobicContact CG-CE2 3.95Å; L98-F102 WeakPolarHBondContact O-CD2 3.15Å; L98-F102 PolarHBondContact O-N 3.45Å; K99-F102 PolarHBondContact O-N 3.37Å; K99-F102 VanDerWaalsContact O-N 3.14Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-E104 PolarHBondContact O-N 3.38Å; F102-T105 WeakPolarHBondContact CA-OG1 3.38Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 PolarHBondContact O-OG1 3.03Å; F102-G106 PolarHBondContact O-N 2.86Å; F102-M107 CarbonylContact C-O 3.6Å; F102-M107 HydrophobicContact CB-CB 4.49Å; F102-M107 WeakPolarHBondContact CB-O 3.5Å; F102-M107 HydrophobicContact CD1-CB 4.12Å; F102-M107 HydrophobicContact CD1-SD 4.49Å; F102-M107 PolarHBondContact O-N 3.11Å; F102-V109 HydrophobicContact CB-CB 4.47Å; F102-V109 HydrophobicContact CB-CG2 4.03Å; F102-V109 HydrophobicContact CD1-CG2 3.59Å; F102-V109 HydrophobicContact CD2-CB 4.48Å; F102-V109 HydrophobicContact CD2-CG2 4.21Å; F102-V109 HydrophobicContact CE1-CG2 4.06Å; F102-V109 HydrophobicContact CG-CB 4.29Å; F102-V109 HydrophobicContact CG-CG2 3.68Å; F102-L114 HydrophobicContact CD2-CD1 4.46Å; F102-L114 HydrophobicContact CD2-CD2 3.6Å; F102-L114 HydrophobicContact CE2-CD2 3.42Å; F102-L114 VanDerWaalsContact CE2-CD2 3.42Å; F102-L114 HydrophobicContact CZ-CD2 4.37Å
103D86.2Confident87.7Confident80 Ų8065.6 Ų65.643%0.42837%0.369SS..Hα-helixtrans-61-40175.7-71.9-21.9000111.5K99 S100 L101 G106K99-D103 PolarHBondContact O-N 3.4Å; S100-D103 PolarHBondContact O-N 3.27Å; L101-D103 VanDerWaalsContact C-N 3.34Å; D103-G106 PolarHBondContact O-N 2.99Å; D103-G106 VanDerWaalsContact O-N 3.16Å
104E83.5Confident87.6Confident138 Ų13865.8 Ų65.865%0.64537%0.37SS*.Hα-helixtrans-65.9-36176.5-171.9174111.600112.7Q84 S100 L101 F102 G106Q84-E104 PolarHBondContact NE2-OE1 3.04Å; S100-E104 WeakPolarHBondContact O-CB 3.31Å; S100-E104 PolarHBondContact O-N 2.86Å; L101-E104 PolarHBondContact O-N 2.85Å; F102-E104 VanDerWaalsContact C-N 3.32Å; F102-E104 PolarHBondContact O-N 3.38Å; E104-G106 PolarHBondContact O-N 2.89Å
105T77.8Confident87.5Confident83 Ų8367.4 Ų67.451%0.50938%0.379SS..THydrogen-bonded Turntrans-78.4-2.2175.359.80000113.6L101 F102 M107L101-T105 WeakPolarHBondContact O-CG2 3.41Å; L101-T105 PolarHBondContact O-N 3.42Å; L101-T105 PolarHBondContact O-OG1 2.95Å; F102-T105 WeakPolarHBondContact CA-OG1 3.38Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 PolarHBondContact O-OG1 3.03Å; T105-M107 VanDerWaalsContact C-N 3.29Å
106G82.3Confident87.4Confident66 Ų6672 Ų7268%0.6840%0.399SS*.THydrogen-bonded Turntrans77.811.5-178.100000114F102 D103 E104F102-G106 PolarHBondContact O-N 2.86Å; D103-G106 PolarHBondContact O-N 2.99Å; D103-G106 VanDerWaalsContact O-N 3.16Å; E104-G106 PolarHBondContact O-N 2.89Å
107M80.6Confident87.2Confident114 Ų11470.6 Ų70.656%0.56239%0.388SS*.  trans-94.7125.3175.8-62.3-166.4-167.400110F102 T105F102-M107 CarbonylContact C-O 3.6Å; F102-M107 HydrophobicContact CB-CB 4.49Å; F102-M107 WeakPolarHBondContact CB-O 3.5Å; F102-M107 HydrophobicContact CD1-CB 4.12Å; F102-M107 HydrophobicContact CD1-SD 4.49Å; F102-M107 PolarHBondContact O-N 3.11Å; T105-M107 VanDerWaalsContact C-N 3.29Å
108T84.3Confident87.2Confident138 Ų13870.3 Ų70.385%0.84739%0.387SS*.  trans-94.3104.2176.2120000109.6
109V85.9Confident87.2Confident37 Ų3779 Ų7922%0.22442%0.419CS..  trans-107.9133.4175.9-171.60000109.2F102 V113 L114F102-V109 HydrophobicContact CB-CB 4.47Å; F102-V109 HydrophobicContact CB-CG2 4.03Å; F102-V109 HydrophobicContact CD1-CG2 3.59Å; F102-V109 HydrophobicContact CD2-CB 4.48Å; F102-V109 HydrophobicContact CD2-CG2 4.21Å; F102-V109 HydrophobicContact CE1-CG2 4.06Å; F102-V109 HydrophobicContact CG-CB 4.29Å; F102-V109 HydrophobicContact CG-CG2 3.68Å; V109-V113 HydrophobicContact CG1-CB 3.92Å; V109-V113 HydrophobicContact CG1-CG1 3.75Å; V109-L114 HydrophobicContact CB-CD2 4.11Å; V109-L114 HydrophobicContact CB-CG 4.28Å; V109-L114 HydrophobicContact CG1-CD2 3.64Å; V109-L114 HydrophobicContact CG1-CG 3.81Å
110S90Very high87.2Confident64 Ų6481.6 Ų81.645%0.44843%0.433SS..  trans-70.3146.8179.287.80000110.8T112 V113 L114S110-T112 PolarHBondContact O-N 3.33Å; S110-V113 PolarHBondContact O-N 2.96Å; S110-V113 WeakPolarHBondContact OG-CG2 3.45Å; S110-V113 PolarHBondContact OG-N 2.73Å; S110-L114 PolarHBondContact O-N 2.76Å
111R89Confident87.1Confident113 Ų11380.6 Ų80.643%0.42642%0.424SS..Hα-helixtrans-55.2-39.6178-160.6-173.5-159.9-85.52.8112.1V95 N96 V113 L114 D115V95-R111 VanDerWaalsContact CG1-CZ 3.45Å; V95-R111 HydrophobicContact CG2-CG 4.1Å; N96-R111 PolarHBondContact OD1-NH2 3.33Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3.17Å; R111-L114 PolarHBondContact O-N 2.78Å; R111-L114 VanDerWaalsContact O-N 3.14Å; R111-D115 WeakPolarHBondContact CG-OD2 3.3Å; R111-D115 IonicContact CZ-OD2 3.93Å; R111-D115 IonicContact NH1-OD1 2.71Å; R111-D115 PolarHBondContact NH1-OD1 3.01Å; R111-D115 IonicContact NH1-OD2 3.36Å; R111-D115 PolarHBondContact NH1-OD2 3.16Å; R111-D115 WeakPolarHBondContact O-CB 3.39Å; R111-D115 PolarHBondContact O-N 2.92Å
112T91.6Very high87.4Confident105 Ų10579.8 Ų79.864%0.64442%0.42SS*.Hα-helixtrans-59.6-39.1178.9-46.80000112.5S110 E116S110-T112 PolarHBondContact O-N 3.33Å; T112-E116 WeakPolarHBondContact O-CB 3.32Å; T112-E116 PolarHBondContact O-N 2.9Å
113V90Very high87.6Confident80 Ų8083.7 Ų83.749%0.48544%0.442SS..Hα-helixtrans-69.6-39.7177.4171.90000110.7V109 S110 R111 E116 W117V109-V113 HydrophobicContact CG1-CB 3.92Å; V109-V113 HydrophobicContact CG1-CG1 3.75Å; S110-V113 PolarHBondContact O-N 2.96Å; S110-V113 WeakPolarHBondContact OG-CG2 3.45Å; S110-V113 PolarHBondContact OG-N 2.73Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3.17Å; V113-E116 PolarHBondContact O-N 3.24Å; V113-W117 WeakPolarHBondContact O-CB 3.25Å; V113-W117 PolarHBondContact O-N 2.87Å
114L90.1Very high87.8Confident4 Ų484.3 Ų84.32%0.02145%0.445CS..Hα-helixtrans-69.3-40.7176.7-60.7176.1000112.1V95 L98 K99 F102 V109 S110 R111 E116 W117 I118V95-L114 HydrophobicContact CG2-CB 3.7Å; L98-L114 HydrophobicContact CD2-CB 4.47Å; L98-L114 HydrophobicContact CD2-CD2 3.9Å; L98-L114 HydrophobicContact CG-CD2 4.27Å; K99-L114 HydrophobicContact CB-CD1 3.54Å; K99-L114 HydrophobicContact CG-CD1 3.96Å; F102-L114 HydrophobicContact CD2-CD1 4.46Å; F102-L114 HydrophobicContact CD2-CD2 3.6Å; F102-L114 HydrophobicContact CE2-CD2 3.42Å; F102-L114 VanDerWaalsContact CE2-CD2 3.42Å; F102-L114 HydrophobicContact CZ-CD2 4.37Å; V109-L114 HydrophobicContact CB-CD2 4.11Å; V109-L114 HydrophobicContact CB-CG 4.28Å; V109-L114 HydrophobicContact CG1-CD2 3.64Å; V109-L114 HydrophobicContact CG1-CG 3.81Å; S110-L114 PolarHBondContact O-N 2.76Å; R111-L114 PolarHBondContact O-N 2.78Å; R111-L114 VanDerWaalsContact O-N 3.14Å; L114-E116 VanDerWaalsContact C-N 3.33Å; L114-W117 PolarHBondContact O-N 3.17Å; L114-I118 WeakPolarHBondContact O-CG1 2.96Å; L114-I118 PolarHBondContact O-N 3.23Å
115D90.8Very high88.1Confident65 Ų6580.5 Ų80.535%0.34844%0.443SS..Hα-helixtrans-61.7-41.7175.1-77.9-47.7000110.5R111 R119R111-D115 WeakPolarHBondContact CG-OD2 3.3Å; R111-D115 IonicContact CZ-OD2 3.93Å; R111-D115 IonicContact NH1-OD1 2.71Å; R111-D115 PolarHBondContact NH1-OD1 3.01Å; R111-D115 IonicContact NH1-OD2 3.36Å; R111-D115 PolarHBondContact NH1-OD2 3.16Å; R111-D115 WeakPolarHBondContact O-CB 3.39Å; R111-D115 PolarHBondContact O-N 2.92Å; D115-R119 WeakPolarHBondContact O-CB 3.28Å; D115-R119 PolarHBondContact O-N 3Å
116E90.7Very high88.7Confident107 Ų10779.9 Ų79.950%0.544%0.437SS..Hα-helixtrans-65.3-44.5175.2-173.3163.4-136.800111.4T112 V113 L114 R119 E120T112-E116 WeakPolarHBondContact O-CB 3.32Å; T112-E116 PolarHBondContact O-N 2.9Å; V113-E116 PolarHBondContact O-N 3.24Å; L114-E116 VanDerWaalsContact C-N 3.33Å; E116-R119 PolarHBondContact O-N 2.89Å; E116-E120 WeakPolarHBondContact O-CG 3.27Å; E116-E120 PolarHBondContact O-N 2.84Å
117W87.8Confident89.1Confident54 Ų5478.9 Ų78.921%0.20543%0.426CS..Hα-helixtrans-63.3-42.8177.9-172.878.9000112.7L98 V113 L114 R119 E120 N121 L129 F134 F137L98-W117 HydrophobicContact CD1-CZ3 3.99Å; L98-W117 HydrophobicContact CD2-CE3 3.41Å; L98-W117 VanDerWaalsContact CD2-CE3 3.41Å; L98-W117 HydrophobicContact CD2-CZ3 3.43Å; L98-W117 VanDerWaalsContact CD2-CZ3 3.43Å; L98-W117 HydrophobicContact CG-CZ3 4.38Å; V113-W117 WeakPolarHBondContact O-CB 3.25Å; V113-W117 PolarHBondContact O-N 2.87Å; L114-W117 PolarHBondContact O-N 3.17Å; W117-R119 VanDerWaalsContact C-N 3.35Å; W117-E120 PolarHBondContact O-N 3.31Å; W117-N121 PolarHBondContact O-N 3.32Å; W117-N121 PolarHBondContact O-ND2 2.89Å; W117-L129 HydrophobicContact CE3-CD1 3.94Å; W117-L129 HydrophobicContact CH2-CD1 3.96Å; W117-L129 HydrophobicContact CZ3-CD1 3.28Å; W117-F134 HydrophobicContact CH2-CD2 4.11Å; W117-F134 HydrophobicContact CH2-CE2 4.27Å; W117-F137 AromaticContact CE2-CD1 3.86Å; W117-F137 AromaticContact CE2-CE1 3.65Å; W117-F137 AromaticContact CE2-CZ 3.97Å; W117-F137 HydrophobicContact CH2-CD1 4.35Å; W117-F137 AromaticContact CZ2-CD1 3.3Å; W117-F137 HydrophobicContact CZ2-CD1 3.3Å; W117-F137 AromaticContact CZ2-CE1 3.45Å; W117-F137 HydrophobicContact CZ2-CE1 3.45Å; W117-F137 VanDerWaalsContact CZ2-CE1 3.45Å; W117-F137 AromaticContact CZ2-CG 3.97Å; W117-F137 HydrophobicContact CZ2-CG 3.97Å; W117-F137 HydrophobicContact CZ2-CZ 4.23Å; W117-F137 AromaticContact NE1-CD1 3.85Å; W117-F137 AromaticContact NE1-CE1 3.26Å; W117-F137 VanDerWaalsContact NE1-CE1 3.26Å; W117-F137 AromaticContact NE1-CE2 3.62Å; W117-F137 AromaticContact NE1-CZ 3.11Å
118I90.6Very high89.7Confident6 Ų676.1 Ų76.13%0.03141%0.411CS..Hα-helixtrans-61-48.1173.8-72.5169.1000109.4V95 L98 L114 E120 N121 D122 L129V95-I118 VanDerWaalsContact CA-CD1 3.43Å; V95-I118 HydrophobicContact CB-CD1 3.56Å; V95-I118 HydrophobicContact CG2-CD1 4.06Å; L98-I118 HydrophobicContact CD2-CD1 4.21Å; L98-I118 HydrophobicContact CD2-CG1 4.14Å; L114-I118 WeakPolarHBondContact O-CG1 2.96Å; L114-I118 PolarHBondContact O-N 3.23Å; I118-E120 PolarHBondContact O-N 2.94Å; I118-E120 VanDerWaalsContact O-N 3.16Å; I118-N121 CarbonylContact O-C 3.11Å; I118-N121 PolarHBondContact O-N 3.17Å; I118-D122 HydrophobicContact CG2-CB 4.19Å; I118-D122 WeakPolarHBondContact O-CB 3.38Å; I118-D122 PolarHBondContact O-N 2.7Å; I118-L129 HydrophobicContact CG1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CG 4.3Å; I118-L129 HydrophobicContact CG2-CD2 4.42Å; I118-L129 HydrophobicContact CG2-CG 4.32Å
119R90.3Very high90.1Very high185 Ų18569.6 Ų69.670%0.69837%0.371SS*.Hα-helixtrans-59.7-30.1-179.5-163.3-172.276162.50.9113.7D115 E116 W117 N121D115-R119 WeakPolarHBondContact O-CB 3.28Å; D115-R119 PolarHBondContact O-N 3Å; E116-R119 PolarHBondContact O-N 2.89Å; W117-R119 VanDerWaalsContact C-N 3.35Å; R119-N121 VanDerWaalsContact C-N 3.35Å
120E88.8Confident90.4Very high136 Ų13669.8 Ų69.864%0.63637%0.371SS*.Hα-helixtrans-75.6-23.7176.5-73.4-174.1154.800113.3E116 W117 I118E116-E120 WeakPolarHBondContact O-CG 3.27Å; E116-E120 PolarHBondContact O-N 2.84Å; W117-E120 PolarHBondContact O-N 3.31Å; I118-E120 PolarHBondContact O-N 2.94Å; I118-E120 VanDerWaalsContact O-N 3.16Å
121N87.3Confident90.3Very high22 Ų2269 Ų6912%0.11836%0.359CS..Hα-helixtrans-113-16.1-172.5-67-69.3000114.2W117 I118 R119 I123 L129 E133 F137W117-N121 PolarHBondContact O-N 3.32Å; W117-N121 PolarHBondContact O-ND2 2.89Å; I118-N121 CarbonylContact O-C 3.11Å; I118-N121 PolarHBondContact O-N 3.17Å; R119-N121 VanDerWaalsContact C-N 3.35Å; N121-I123 PolarHBondContact O-N 2.93Å; N121-L129 VanDerWaalsContact C-CD2 3.47Å; N121-L129 HydrophobicContact CB-CD2 3.76Å; N121-E133 WeakPolarHBondContact O-CB 3.37Å; N121-F137 VanDerWaalsContact OD1-CB 3.3Å; N121-F137 WeakPolarHBondContact OD1-CB 3.12Å; N121-F137 WeakPolarHBondContact OD1-CD2 3.39Å; N121-F137 WeakPolarHBondContact OD1-CG 3.5Å
122D92.5Very high90.3Very high22 Ų2271.1 Ų71.112%0.11837%0.374CS..  trans-7596.7173.2174.115.4000109.1I118 D124 G125 N126 G127 L129I118-D122 HydrophobicContact CG2-CB 4.19Å; I118-D122 WeakPolarHBondContact O-CB 3.38Å; I118-D122 PolarHBondContact O-N 2.7Å; D122-D124 VanDerWaalsContact OD1-OD1 3.1Å; D122-G125 VanDerWaalsContact OD1-CA 3.27Å; D122-G125 WeakPolarHBondContact OD1-CA 3.47Å; D122-G125 PolarHBondContact OD1-N 3.37Å; D122-G125 VanDerWaalsContact OD2-CA 3.25Å; D122-G125 WeakPolarHBondContact OD2-CA 3.17Å; D122-N126 PolarHBondContact OD1-N 3.2Å; D122-N126 VanDerWaalsContact OD1-N 3.16Å; D122-N126 PolarHBondContact OD2-N 3.45Å; D122-G127 VanDerWaalsContact OD2-CA 3.28Å; D122-G127 WeakPolarHBondContact OD2-CA 3.4Å; D122-G127 PolarHBondContact OD2-N 2.79Å; D122-L129 HydrophobicContact CB-CD2 4.03Å
123I88.8Confident90.3Very high139 Ų13966.5 Ų66.571%0.71335%0.345SS*.SBendtrans-78.5-36.9-175.4-63.4177000109.7N121 E133N121-I123 PolarHBondContact O-N 2.93Å; I123-E133 HydrophobicContact CB-CG 4.31Å; I123-E133 HydrophobicContact CD1-CG 4.44Å; I123-E133 HydrophobicContact CG1-CG 4.27Å; I123-E133 PolarHBondContact N-OE1 3.21Å
124D91Very high90.1Very high92 Ų9263.1 Ų63.149%0.49232%0.324SS..SBendtrans-82.3-15.3-178.579.417.7000113.6D122 N126 E133D122-D124 VanDerWaalsContact OD1-OD1 3.1Å; D124-N126 WeakPolarHBondContact OD1-CB 3.38Å; D124-N126 PolarHBondContact OD1-N 3.43Å; D124-N126 PolarHBondContact OD1-ND2 3.08Å; D124-N126 PolarHBondContact OD2-ND2 2.94Å; D124-E133 PolarHBondContact N-OE1 2.92Å
125G89.3Confident89.8Confident58 Ų5866 Ų6660%0.59834%0.335SS*.  trans7921173.700000113.9D122 G127D122-G125 VanDerWaalsContact OD1-CA 3.27Å; D122-G125 WeakPolarHBondContact OD1-CA 3.47Å; D122-G125 PolarHBondContact OD1-N 3.37Å; D122-G125 VanDerWaalsContact OD2-CA 3.25Å; D122-G125 WeakPolarHBondContact OD2-CA 3.17Å; G125-G127 VanDerWaalsContact C-N 3.3Å
126N91.8Very high89.4Confident71 Ų7166 Ų6638%0.3834%0.34SS..SBendtrans-83.2-4.8-176.777.828.4000114.1E92 D122 D124 K128E92-N126 PolarHBondContact OE1-ND2 3.31Å; D122-N126 PolarHBondContact OD1-N 3.2Å; D122-N126 VanDerWaalsContact OD1-N 3.16Å; D122-N126 PolarHBondContact OD2-N 3.45Å; D124-N126 WeakPolarHBondContact OD1-CB 3.38Å; D124-N126 PolarHBondContact OD1-N 3.43Å; D124-N126 PolarHBondContact OD1-ND2 3.08Å; D124-N126 PolarHBondContact OD2-ND2 2.94Å; N126-K128 WeakPolarHBondContact OD1-CA 3.45Å; N126-K128 VanDerWaalsContact OD1-CB 3.24Å; N126-K128 WeakPolarHBondContact OD1-CB 3.35Å; N126-K128 PolarHBondContact OD1-N 3.29Å; N126-K128 PolarHBondContact OD1-O 3.15Å
127G90.1Very high88.8Confident44 Ų4463.6 Ų63.645%0.45433%0.328SS..SBendtrans83.511.3179.800000114.3D122 G125D122-G127 VanDerWaalsContact OD2-CA 3.28Å; D122-G127 WeakPolarHBondContact OD2-CA 3.4Å; D122-G127 PolarHBondContact OD2-N 2.79Å; G125-G127 VanDerWaalsContact C-N 3.3Å
128K93Very high88.2Confident57 Ų5761.8 Ų61.825%0.24832%0.323CS..SBendtrans-135.6172.2177.4-53.8180173.6-169.70109.5E92 I93 D94 N126E92-K128 HydrophobicContact CB-CB 3.94Å; E92-K128 HydrophobicContact CB-CD 3.79Å; E92-K128 WeakPolarHBondContact OE2-CD 3.24Å; E92-K128 IonicContact OE2-NZ 3.06Å; I93-K128 WeakPolarHBondContact O-CA 3.43Å; I93-K128 WeakPolarHBondContact O-CB 3.35Å; D94-K128 HydrophobicContact CB-CD 4.47Å; D94-K128 HydrophobicContact CB-CG 4.15Å; N126-K128 WeakPolarHBondContact OD1-CA 3.45Å; N126-K128 VanDerWaalsContact OD1-CB 3.24Å; N126-K128 WeakPolarHBondContact OD1-CB 3.35Å; N126-K128 PolarHBondContact OD1-N 3.29Å; N126-K128 PolarHBondContact OD1-O 3.15Å
129L92Very high87.2Confident0 Ų063.4 Ų63.40%034%0.335CS..EExtended strand (participates in β ladder)trans-117.7115.8177.3-61.5174.5000110.6F82 E92 I93 W117 I118 N121 D122 E133 F134F82-L129 WeakPolarHBondContact CE2-O 3.38Å; E92-L129 CarbonylContact C-O 3.52Å; E92-L129 WeakPolarHBondContact CA-O 3.21Å; I93-L129 HydrophobicContact CB-CB 4.49Å; I93-L129 PolarHBondContact N-O 3.27Å; I93-L129 PolarHBondContact O-N 3.14Å; W117-L129 HydrophobicContact CE3-CD1 3.94Å; W117-L129 HydrophobicContact CH2-CD1 3.96Å; W117-L129 HydrophobicContact CZ3-CD1 3.28Å; I118-L129 HydrophobicContact CG1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CG 4.3Å; I118-L129 HydrophobicContact CG2-CD2 4.42Å; I118-L129 HydrophobicContact CG2-CG 4.32Å; N121-L129 VanDerWaalsContact C-CD2 3.47Å; N121-L129 HydrophobicContact CB-CD2 3.76Å; D122-L129 HydrophobicContact CB-CD2 4.03Å; L129-E133 WeakPolarHBondContact CA-OE2 3.48Å; L129-E133 HydrophobicContact CB-CB 4.41Å; L129-E133 HydrophobicContact CD2-CB 3.98Å; L129-F134 HydrophobicContact CB-CB 4.46Å
130N92.8Very high86.1Confident42 Ų4259.2 Ų59.223%0.22533%0.334CS..EExtended strand (participates in β ladder)trans-72.4172.1166.77053.8000110.9E132 E133 F134N130-E132 VanDerWaalsContact C-N 3.28Å; N130-E132 PolarHBondContact O-N 3.38Å; N130-E132 WeakPolarHBondContact OD1-CA 3.21Å; N130-E132 WeakPolarHBondContact OD1-CB 3.38Å; N130-E132 PolarHBondContact OD1-N 3.01Å; N130-E133 PolarHBondContact N-OE2 3.14Å; N130-E133 PolarHBondContact ND2-OE2 3.34Å; N130-E133 PolarHBondContact O-N 3Å; N130-E133 PolarHBondContact OD1-N 3.48Å; N130-F134 WeakPolarHBondContact O-CB 3.43Å; N130-F134 PolarHBondContact O-N 3.06Å
131F89Confident84.3Confident48 Ų4858.5 Ų58.521%0.21133%0.334CS..Hα-helixtrans-59.6-36.6-177.7178.1-105.8000113.1A75 R79 F82 Y135A75-F131 HydrophobicContact CB-CZ 4.36Å; R79-F131 VanDerWaalsContact CA-CE2 3.42Å; R79-F131 HydrophobicContact CB-CD2 4.31Å; R79-F131 HydrophobicContact CB-CE2 3.53Å; R79-F131 HydrophobicContact CB-CZ 3.76Å; R79-F131 HydrophobicContact CG-CD2 4.33Å; R79-F131 HydrophobicContact CG-CE2 3.99Å; R79-F131 HydrophobicContact CG-CZ 4.25Å; F82-F131 HydrophobicContact CB-CD2 3.96Å; F82-F131 HydrophobicContact CB-CE2 4.43Å; F82-F131 HydrophobicContact CD1-CD2 4.47Å; F82-F131 HydrophobicContact CD2-CB 4.27Å; F82-F131 HydrophobicContact CD2-CD2 4.03Å; F82-F131 HydrophobicContact CE1-CB 4.48Å; F82-F131 HydrophobicContact CE2-CB 4.17Å; F82-F131 HydrophobicContact CG-CB 4.48Å; F82-F131 AromaticContact CG-CD2 3.89Å; F82-F131 HydrophobicContact CG-CD2 3.89Å; F82-F131 HydrophobicContact CZ-CB 4.29Å; F131-Y135 HydrophobicContact CZ-CD2 4.17Å; F131-Y135 HydrophobicContact CZ-CG 4.27Å; F131-Y135 WeakPolarHBondContact O-CA 3.35Å; F131-Y135 WeakPolarHBondContact O-CB 3.19Å; F131-Y135 PolarHBondContact O-N 3.25Å
132E88.8Confident82.3Confident157 Ų15765.5 Ų65.573%0.73437%0.371SS*.Hα-helixtrans-69.5-41.2179.4-68.2-154.3149.300111.9N130 Y135 S136N130-E132 VanDerWaalsContact C-N 3.28Å; N130-E132 PolarHBondContact O-N 3.38Å; N130-E132 WeakPolarHBondContact OD1-CA 3.21Å; N130-E132 WeakPolarHBondContact OD1-CB 3.38Å; N130-E132 PolarHBondContact OD1-N 3.01Å; E132-Y135 PolarHBondContact O-N 2.9Å; E132-S136 WeakPolarHBondContact O-CB 3.44Å; E132-S136 PolarHBondContact O-N 2.9Å
133E90.1Very high81.8Confident7 Ų767.7 Ų67.73%0.03338%0.384CS..Hα-helixtrans-64-48.7177-70.4168.7149.400111.4N121 I123 D124 L129 N130 Y135 S136 F137N121-E133 WeakPolarHBondContact O-CB 3.37Å; I123-E133 HydrophobicContact CB-CG 4.31Å; I123-E133 HydrophobicContact CD1-CG 4.44Å; I123-E133 HydrophobicContact CG1-CG 4.27Å; I123-E133 PolarHBondContact N-OE1 3.21Å; D124-E133 PolarHBondContact N-OE1 2.92Å; L129-E133 WeakPolarHBondContact CA-OE2 3.48Å; L129-E133 HydrophobicContact CB-CB 4.41Å; L129-E133 HydrophobicContact CD2-CB 3.98Å; N130-E133 PolarHBondContact N-OE2 3.14Å; N130-E133 PolarHBondContact ND2-OE2 3.34Å; N130-E133 PolarHBondContact O-N 3Å; N130-E133 PolarHBondContact OD1-N 3.48Å; E133-Y135 PolarHBondContact O-N 2.79Å; E133-S136 PolarHBondContact O-N 3.45Å; E133-F137 PolarHBondContact O-N 3.22Å
134F86.7Confident81.4Confident9 Ų963.9 Ų63.94%0.03937%0.367CS..Hα-helixtrans-59.3-47.9174177.7-101.9000111.2W78 F82 I85 I93 W117 L129 N130 F137 V138W78-F134 HydrophobicContact CB-CE1 4.33Å; W78-F134 AromaticContact CE3-CE1 3.83Å; W78-F134 HydrophobicContact CE3-CE1 3.83Å; W78-F134 AromaticContact CE3-CZ 3.93Å; W78-F134 HydrophobicContact CE3-CZ 3.93Å; W78-F134 HydrophobicContact CZ3-CZ 4.25Å; F82-F134 HydrophobicContact CD2-CB 4.12Å; F82-F134 HydrophobicContact CD2-CD1 4.04Å; F82-F134 HydrophobicContact CD2-CG 4.17Å; F82-F134 HydrophobicContact CE2-CB 4.33Å; I85-F134 HydrophobicContact CD1-CE2 4.35Å; I85-F134 HydrophobicContact CD1-CZ 4.15Å; I93-F134 HydrophobicContact CD1-CD2 4.14Å; I93-F134 HydrophobicContact CD1-CE2 4.47Å; I93-F134 HydrophobicContact CD1-CG 4.3Å; W117-F134 HydrophobicContact CH2-CD2 4.11Å; W117-F134 HydrophobicContact CH2-CE2 4.27Å; L129-F134 HydrophobicContact CB-CB 4.46Å; N130-F134 WeakPolarHBondContact O-CB 3.43Å; N130-F134 PolarHBondContact O-N 3.06Å; F134-F137 PolarHBondContact O-N 3.44Å; F134-V138 HydrophobicContact CD1-CG2 4.41Å; F134-V138 HydrophobicContact CD2-CG1 4.43Å; F134-V138 HydrophobicContact CE1-CG1 4.21Å; F134-V138 HydrophobicContact CE1-CG2 4.25Å; F134-V138 HydrophobicContact CE2-CG1 3.98Å; F134-V138 HydrophobicContact CZ-CG1 3.87Å; F134-V138 VanDerWaalsContact O-CG2 3.31Å; F134-V138 WeakPolarHBondContact O-CG2 3.5Å; F134-V138 PolarHBondContact O-N 3.18Å; F134-V138 VanDerWaalsContact O-N 3.14Å
135Y84.6Confident80.9Confident64 Ų6462.4 Ų62.425%0.25136%0.36SS..Hα-helixtrans-64.8-41.6-177.8-174.9-109000112.5P74 A75 W78 F131 E132 E133 F137 V138 S139P74-Y135 HydrophobicContact CB-CE2 4.13Å; A75-Y135 HydrophobicContact CB-CD2 4.34Å; A75-Y135 HydrophobicContact CB-CE2 3.7Å; A75-Y135 VanDerWaalsContact N-CE2 3.26Å; W78-Y135 HydrophobicContact CB-CD2 4.02Å; W78-Y135 HydrophobicContact CB-CE2 4.42Å; W78-Y135 AromaticContact CD1-CE2 3.8Å; W78-Y135 HydrophobicContact CG-CD2 4.29Å; W78-Y135 HydrophobicContact CG-CE2 4.45Å; F131-Y135 HydrophobicContact CZ-CD2 4.17Å; F131-Y135 HydrophobicContact CZ-CG 4.27Å; F131-Y135 WeakPolarHBondContact O-CA 3.35Å; F131-Y135 WeakPolarHBondContact O-CB 3.19Å; F131-Y135 PolarHBondContact O-N 3.25Å; E132-Y135 PolarHBondContact O-N 2.9Å; E133-Y135 PolarHBondContact O-N 2.79Å; Y135-F137 VanDerWaalsContact C-N 3.29Å; Y135-F137 PolarHBondContact O-N 3.34Å; Y135-V138 HydrophobicContact CD2-CG2 4.33Å; Y135-V138 WeakPolarHBondContact O-CG2 3.39Å; Y135-V138 PolarHBondContact O-N 2.9Å; Y135-S139 WeakPolarHBondContact O-CB 3.42Å; Y135-S139 PolarHBondContact O-N 3.06Å; Y135-S139 PolarHBondContact O-OG 2.91Å
136S81.6Confident80.4Confident66 Ų6662.6 Ų62.646%0.46235%0.346SS..Hα-helixtrans-57.2-44.1178.6-179.90000111.1E132 E133 S139 S140E132-S136 WeakPolarHBondContact O-CB 3.44Å; E132-S136 PolarHBondContact O-N 2.9Å; E133-S136 PolarHBondContact O-N 3.45Å; S136-S139 PolarHBondContact O-OG 3.16Å; S136-S140 WeakPolarHBondContact O-CB 3.41Å; S136-S140 PolarHBondContact O-N 2.92Å; S136-S140 VanDerWaalsContact O-N 3.08Å
137F77.3Confident79.7Confident56 Ų5662.1 Ų62.125%0.24634%0.343CS..Hα-helixtrans-68.4-51.7177.6-179.5-93.8000112.8W117 N121 E133 F134 Y135 S139 S140 N141W117-F137 AromaticContact CE2-CD1 3.86Å; W117-F137 AromaticContact CE2-CE1 3.65Å; W117-F137 AromaticContact CE2-CZ 3.97Å; W117-F137 HydrophobicContact CH2-CD1 4.35Å; W117-F137 AromaticContact CZ2-CD1 3.3Å; W117-F137 HydrophobicContact CZ2-CD1 3.3Å; W117-F137 AromaticContact CZ2-CE1 3.45Å; W117-F137 HydrophobicContact CZ2-CE1 3.45Å; W117-F137 VanDerWaalsContact CZ2-CE1 3.45Å; W117-F137 AromaticContact CZ2-CG 3.97Å; W117-F137 HydrophobicContact CZ2-CG 3.97Å; W117-F137 HydrophobicContact CZ2-CZ 4.23Å; W117-F137 AromaticContact NE1-CD1 3.85Å; W117-F137 AromaticContact NE1-CE1 3.26Å; W117-F137 VanDerWaalsContact NE1-CE1 3.26Å; W117-F137 AromaticContact NE1-CE2 3.62Å; W117-F137 AromaticContact NE1-CZ 3.11Å; N121-F137 VanDerWaalsContact OD1-CB 3.3Å; N121-F137 WeakPolarHBondContact OD1-CB 3.12Å; N121-F137 WeakPolarHBondContact OD1-CD2 3.39Å; N121-F137 WeakPolarHBondContact OD1-CG 3.5Å; E133-F137 PolarHBondContact O-N 3.22Å; F134-F137 PolarHBondContact O-N 3.44Å; Y135-F137 VanDerWaalsContact C-N 3.29Å; Y135-F137 PolarHBondContact O-N 3.34Å; F137-S139 VanDerWaalsContact C-N 3.29Å; F137-S139 PolarHBondContact O-N 3.21Å; F137-S140 PolarHBondContact O-N 3.4Å; F137-N141 VanDerWaalsContact CE2-ND2 3.32Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.47Å; F137-N141 VanDerWaalsContact CZ-ND2 3.27Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.47Å; F137-N141 PolarHBondContact O-N 3.36Å
138V74.9Confident79Confident16 Ų1663.3 Ų63.310%0.09734%0.336CS..Hα-helixtrans-69.2-29.1-174.7-61.30000112.4W78 F134 Y135W78-V138 HydrophobicContact CB-CG2 4.31Å; W78-V138 HydrophobicContact CD2-CB 3.96Å; W78-V138 HydrophobicContact CD2-CG2 3.49Å; W78-V138 VanDerWaalsContact CD2-CG2 3.49Å; W78-V138 HydrophobicContact CE3-CB 4.11Å; W78-V138 HydrophobicContact CE3-CG1 4.19Å; W78-V138 HydrophobicContact CE3-CG2 3.91Å; W78-V138 HydrophobicContact CG-CG2 3.64Å; W78-V138 HydrophobicContact CH2-CB 4.01Å; W78-V138 HydrophobicContact CH2-CG1 4.19Å; W78-V138 HydrophobicContact CZ2-CB 3.83Å; W78-V138 HydrophobicContact CZ2-CG2 4.23Å; W78-V138 HydrophobicContact CZ3-CB 4.14Å; W78-V138 HydrophobicContact CZ3-CG1 4.01Å; W78-V138 HydrophobicContact CZ3-CG2 4.44Å; F134-V138 HydrophobicContact CD1-CG2 4.41Å; F134-V138 HydrophobicContact CD2-CG1 4.43Å; F134-V138 HydrophobicContact CE1-CG1 4.21Å; F134-V138 HydrophobicContact CE1-CG2 4.25Å; F134-V138 HydrophobicContact CE2-CG1 3.98Å; F134-V138 HydrophobicContact CZ-CG1 3.87Å; F134-V138 VanDerWaalsContact O-CG2 3.31Å; F134-V138 WeakPolarHBondContact O-CG2 3.5Å; F134-V138 PolarHBondContact O-N 3.18Å; F134-V138 VanDerWaalsContact O-N 3.14Å; Y135-V138 HydrophobicContact CD2-CG2 4.33Å; Y135-V138 WeakPolarHBondContact O-CG2 3.39Å; Y135-V138 PolarHBondContact O-N 2.9Å
139S70.9Confident78Confident41 Ų4163.8 Ų63.829%0.28734%0.342SS..Hα-helixtrans-78.9-27.817465.10000113Y135 S136 F137Y135-S139 WeakPolarHBondContact O-CB 3.42Å; Y135-S139 PolarHBondContact O-N 3.06Å; Y135-S139 PolarHBondContact O-OG 2.91Å; S136-S139 PolarHBondContact O-OG 3.16Å; F137-S139 VanDerWaalsContact C-N 3.29Å; F137-S139 PolarHBondContact O-N 3.21Å
140S66.4Low76.9Confident97 Ų9768.7 Ų68.768%0.67837%0.369SS*.Hα-helixtrans-82.4-12.6178.2-165.80000113.9S136 F137S136-S140 WeakPolarHBondContact O-CB 3.41Å; S136-S140 PolarHBondContact O-N 2.92Å; S136-S140 VanDerWaalsContact O-N 3.08Å; F137-S140 PolarHBondContact O-N 3.4Å
141N52.2Low75.6Confident120 Ų12070.9 Ų70.964%0.64238%0.381SS*.THydrogen-bonded Turntrans-107.39.4176.4-96-53.4000113.9F137F137-N141 VanDerWaalsContact CE2-ND2 3.32Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.47Å; F137-N141 VanDerWaalsContact CZ-ND2 3.27Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.47Å; F137-N141 PolarHBondContact O-N 3.36Å
142L44.2Very low74.3Confident170 Ų17073 Ų7389%0.8940%0.396SS*.  trans-101.20168.3-87.2167.3000110.1W78W78-L142 HydrophobicContact CZ2-CD1 3.76Å

Retrieved 142 of 142 residues in 86.6 ms (Link to these results)

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