A0A077ZK00_TRITR Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A077ZK00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 705 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
1M91.9Very high88.4Confident57 Ų5745.3 Ų45.328%0.28125%0.249SC..  0149.60-179.3178.3174.800109.4L22 E24 R85 W86 A89M1-L22 HydrophobicContact CB-CB 4.12Å; M1-L22 HydrophobicContact CB-CD2 4.16Å; M1-L22 PolarHBondContact N-O 3.33Å; M1-L22 PolarHBondContact O-N 2.9Å; M1-E24 PolarHBondContact N-OE1 3.03Å; M1-R85 HydrophobicContact CE-CB 4.36Å; M1-R85 HydrophobicContact CE-CG 3.93Å; M1-W86 HydrophobicContact CE-CB 4.42Å; M1-W86 HydrophobicContact CE-CD2 3.52Å; M1-W86 HydrophobicContact CE-CE3 4.03Å; M1-W86 HydrophobicContact CE-CG 3.67Å; M1-W86 HydrophobicContact CE-CZ2 4.25Å; M1-W86 HydrophobicContact CG-CE3 4.45Å; M1-W86 HydrophobicContact CG-CH2 4.45Å; M1-W86 HydrophobicContact CG-CZ3 4.27Å; M1-W86 HydrophobicContact SD-CD2 3.92Å; M1-W86 HydrophobicContact SD-CE3 3.8Å; M1-W86 HydrophobicContact SD-CG 4.35Å; M1-W86 HydrophobicContact SD-CZ3 4.22Å; M1-A89 HydrophobicContact CB-CB 4.37Å; M1-A89 HydrophobicContact SD-CB 3.64Å
2E93.5Very high87.3Confident78 Ų7855.3 Ų55.336%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-136.7159.2165.769.9152.1-152.100111.7W19 F20 L21 K35 M38E2-W19 HydrophobicContact CG-CZ2 4.16Å; E2-W19 WeakPolarHBondContact OE1-CZ2 3.11Å; E2-W19 PolarHBondContact OE2-NE1 3.18Å; E2-F20 VanDerWaalsContact CA-O 3.26Å; E2-F20 WeakPolarHBondContact CA-O 3.23Å; E2-F20 WeakPolarHBondContact CB-O 3.35Å; E2-L21 HydrophobicContact CB-CD1 3.93Å; E2-K35 WeakPolarHBondContact OE1-CE 3.44Å; E2-K35 IonicContact OE1-NZ 2.82Å; E2-K35 PolarHBondContact OE1-NZ 2.92Å; E2-M38 WeakPolarHBondContact OE2-CE 3.35Å
3G93.6Very high86.6Confident6 Ų658.1 Ų58.16%0.06231%0.309CS..EExtended strand (participates in β ladder)trans169.9179.9177.400000114.2F20G3-F20 PolarHBondContact N-O 2.97Å; G3-F20 PolarHBondContact O-N 2.99Å
4P93.6Very high86.5Confident35 Ų3555 Ų5523%0.22730%0.298CS..EExtended strand (participates in β ladder)trans-78.4149.1170.135-33.9000111.5F17 W19P4-F17 HydrophobicContact CB-CE1 4.41Å; P4-F17 HydrophobicContact CB-CE2 3.57Å; P4-F17 HydrophobicContact CB-CZ 3.42Å; P4-F17 VanDerWaalsContact CB-CZ 3.42Å; P4-W19 HydrophobicContact CB-CE3 4.39Å; P4-W19 HydrophobicContact CB-CZ3 4.23Å; P4-W19 HydrophobicContact CG-CZ3 4.46Å
5L94.5Very high86.7Confident2 Ų256.1 Ų56.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-149.3151157.4-68.7170.5000109.2R18 F20 F64 F75 A77 W86L5-R18 PolarHBondContact N-O 3.17Å; L5-R18 VanDerWaalsContact N-O 3.08Å; L5-R18 PolarHBondContact O-N 3.27Å; L5-R18 VanDerWaalsContact O-O 3.07Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.62Å; L5-F20 HydrophobicContact CD1-CD2 4.01Å; L5-F20 HydrophobicContact CD1-CE2 4.27Å; L5-F20 HydrophobicContact CD1-CG 4.21Å; L5-F20 HydrophobicContact CG-CD2 4.1Å; L5-F20 HydrophobicContact CG-CE2 4.46Å; L5-F64 HydrophobicContact CD1-CE1 4.17Å; L5-F64 HydrophobicContact CD1-CZ 3.67Å; L5-F64 HydrophobicContact CD2-CE1 4Å; L5-F64 HydrophobicContact CD2-CZ 4.33Å; L5-F75 HydrophobicContact CD1-CB 4.35Å; L5-F75 HydrophobicContact CD1-CD1 4.2Å; L5-F75 HydrophobicContact CD1-CG 4.48Å; L5-A77 HydrophobicContact CD2-CB 3.95Å; L5-W86 HydrophobicContact CD1-CD2 4.03Å; L5-W86 HydrophobicContact CD1-CE3 4.49Å; L5-W86 HydrophobicContact CD1-CG 4.32Å; L5-W86 HydrophobicContact CD1-CZ2 4.27Å; L5-W86 HydrophobicContact CD2-CG 4.26Å; L5-W86 HydrophobicContact CG-CD2 4.41Å; L5-W86 HydrophobicContact CG-CZ2 4.19Å
6S93Very high87Confident31 Ų3156.1 Ų56.122%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-77.9133.7159.8-86.40000109.5F75 Q76S6-F75 CarbonylContact O-C 3.58Å; S6-F75 VanDerWaalsContact O-CA 3.29Å; S6-F75 WeakPolarHBondContact O-CA 3.11Å; S6-Q76 PolarHBondContact N-O 2.83Å; S6-Q76 PolarHBondContact O-N 3.17Å
7K92.7Very high87.4Confident20 Ų2059.9 Ų59.99%0.08731%0.308CS..EExtended strand (participates in β ladder)trans-122.1129.4175.7-169.4-158.4171.3-68.60109.9W15 Q16 R18 F20 Y31 F75K7-W15 VanDerWaalsContact C-CE3 3.5Å; K7-Q16 PolarHBondContact N-O 2.85Å; K7-Q16 WeakPolarHBondContact O-CB 3.18Å; K7-Q16 PolarHBondContact O-N 3.42Å; K7-R18 HydrophobicContact CB-CG 4.35Å; K7-F20 HydrophobicContact CB-CE2 4.34Å; K7-F20 HydrophobicContact CB-CZ 4.02Å; K7-F20 HydrophobicContact CD-CZ 4.26Å; K7-F20 HydrophobicContact CG-CZ 4.26Å; K7-Y31 HydrophobicContact CD-CE2 4.44Å; K7-F75 HydrophobicContact CB-CD1 4.33Å; K7-F75 HydrophobicContact CD-CE1 4.32Å; K7-F75 HydrophobicContact CG-CD1 4.01Å; K7-F75 HydrophobicContact CG-CE1 3.87Å
8W88Confident87.8Confident44 Ų4458.2 Ų58.217%0.16730%0.297CS..EExtended strand (participates in β ladder)trans-66.4142.5171.5-171.3-106.9000110.4W15 H74 F566 Y567W8-W15 HydrophobicContact CB-CD2 4.46Å; W8-W15 HydrophobicContact CB-CE3 4.08Å; W8-W15 HydrophobicContact CB-CH2 4.35Å; W8-W15 HydrophobicContact CB-CZ3 4.02Å; W8-W15 HydrophobicContact CE3-CB 4.46Å; W8-W15 AromaticContact CE3-CD1 3.81Å; W8-W15 AromaticContact CE3-CD2 3.88Å; W8-W15 HydrophobicContact CE3-CD2 3.88Å; W8-W15 AromaticContact CE3-CE2 3.95Å; W8-W15 AromaticContact CE3-CG 3.79Å; W8-W15 HydrophobicContact CE3-CG 3.79Å; W8-W15 AromaticContact CE3-NE1 3.89Å; W8-W15 AromaticContact CZ3-CD1 3.83Å; W8-W15 HydrophobicContact CZ3-CG 4.19Å; W8-W15 VanDerWaalsContact N-CZ3 3.3Å; W8-H74 HydrophobicContact CB-CB 3.94Å; W8-H74 PolarHBondContact N-O 3.19Å; W8-H74 VanDerWaalsContact N-O 3.08Å; W8-F566 AromaticContact CD2-CE2 3.66Å; W8-F566 HydrophobicContact CD2-CE2 3.66Å; W8-F566 HydrophobicContact CD2-CZ 4.39Å; W8-F566 AromaticContact CE2-CE2 3.9Å; W8-F566 AromaticContact CE3-CE2 3.74Å; W8-F566 HydrophobicContact CE3-CE2 3.74Å; W8-F566 HydrophobicContact CE3-CZ 4.02Å; W8-F566 HydrophobicContact CG-CE2 4.05Å; W8-F566 HydrophobicContact CH2-CE2 4.32Å; W8-F566 HydrophobicContact CZ2-CE2 4.24Å; W8-F566 HydrophobicContact CZ3-CE2 4.08Å; W8-F566 HydrophobicContact CZ3-CZ 4.14Å; W8-Y567 HydrophobicContact CH2-CD1 4.4Å; W8-Y567 HydrophobicContact CH2-CG 4.28Å; W8-Y567 HydrophobicContact CZ2-CG 4.25Å
9T85.1Confident88.2Confident46 Ų4657.1 Ų57.128%0.28229%0.289SS..  trans-121.3-54.4-175.844.90000112.9E13 G14 Q16T9-E13 WeakPolarHBondContact OG1-CB 3.21Å; T9-E13 PolarHBondContact OG1-OE2 2.76Å; T9-G14 PolarHBondContact N-O 3.5Å; T9-G14 PolarHBondContact OG1-O 2.86Å; T9-Q16 HydrophobicContact CG2-CB 3.81Å; T9-Q16 HydrophobicContact CG2-CG 3.75Å; T9-Q16 WeakPolarHBondContact OG1-CG 3.45Å
10N78Confident88.6Confident62 Ų6254.3 Ų54.333%0.33227%0.274SS..  trans-169.8178.1171.256.772.2000108.8I12 E13 G14N10-I12 PolarHBondContact O-N 3.46Å; N10-I12 WeakPolarHBondContact OD1-CA 3.29Å; N10-I12 WeakPolarHBondContact OD1-CB 3.25Å; N10-I12 PolarHBondContact OD1-N 2.73Å; N10-E13 PolarHBondContact OD1-N 2.79Å; N10-G14 VanDerWaalsContact O-CA 3.31Å; N10-G14 WeakPolarHBondContact O-CA 3.25Å; N10-G14 PolarHBondContact O-N 2.6Å
11V69.1Low89Confident117 Ų11754.5 Ų54.571%0.70928%0.276SS*.THydrogen-bonded Turntrans-64.2-19-178.5-178.10000113.7
12I74.2Confident89.2Confident166 Ų16652 Ų5285%0.85126%0.264SS*.THydrogen-bonded Turntrans-94.5-45-177.8-52.5171.8000111.6N10N10-I12 PolarHBondContact O-N 3.46Å; N10-I12 WeakPolarHBondContact OD1-CA 3.29Å; N10-I12 WeakPolarHBondContact OD1-CB 3.25Å; N10-I12 PolarHBondContact OD1-N 2.73Å
13E79.3Confident89.1Confident91 Ų9151.3 Ų51.343%0.42526%0.263SS..THydrogen-bonded Turntrans-82.7-22.4177.2-79.7-175.2-155.100113.3T9 N10 Q16T9-E13 WeakPolarHBondContact OG1-CB 3.21Å; T9-E13 PolarHBondContact OG1-OE2 2.76Å; N10-E13 PolarHBondContact OD1-N 2.79Å; E13-Q16 HydrophobicContact CB-CG 4.14Å; E13-Q16 PolarHBondContact O-NE2 3.48Å
14G84.8Confident89Confident15 Ų1555.2 Ų55.216%0.15528%0.279CS..  trans63.7-143.1178.600000114.9T9 N10T9-G14 PolarHBondContact N-O 3.5Å; T9-G14 PolarHBondContact OG1-O 2.86Å; N10-G14 VanDerWaalsContact O-CA 3.31Å; N10-G14 WeakPolarHBondContact O-CA 3.25Å; N10-G14 PolarHBondContact O-N 2.6Å
15W89.6Confident88.7Confident71 Ų7160.7 Ų60.727%0.26931%0.307SS..EExtended strand (participates in β ladder)trans-72.3129.9168.2-75114.1000110.2K7 W8 T63 H74 Q76 F566K7-W15 VanDerWaalsContact C-CE3 3.5Å; W8-W15 HydrophobicContact CB-CD2 4.46Å; W8-W15 HydrophobicContact CB-CE3 4.08Å; W8-W15 HydrophobicContact CB-CH2 4.35Å; W8-W15 HydrophobicContact CB-CZ3 4.02Å; W8-W15 HydrophobicContact CE3-CB 4.46Å; W8-W15 AromaticContact CE3-CD1 3.81Å; W8-W15 AromaticContact CE3-CD2 3.88Å; W8-W15 HydrophobicContact CE3-CD2 3.88Å; W8-W15 AromaticContact CE3-CE2 3.95Å; W8-W15 AromaticContact CE3-CG 3.79Å; W8-W15 HydrophobicContact CE3-CG 3.79Å; W8-W15 AromaticContact CE3-NE1 3.89Å; W8-W15 AromaticContact CZ3-CD1 3.83Å; W8-W15 HydrophobicContact CZ3-CG 4.19Å; W8-W15 VanDerWaalsContact N-CZ3 3.3Å; W15-T63 HydrophobicContact CH2-CG2 4.46Å; W15-T63 HydrophobicContact CZ2-CG2 4.3Å; W15-H74 HydrophobicContact CH2-CB 3.91Å; W15-H74 HydrophobicContact CZ3-CB 4.39Å; W15-Q76 HydrophobicContact CE3-CB 4.19Å; W15-Q76 HydrophobicContact CH2-CB 3.87Å; W15-Q76 HydrophobicContact CZ2-CB 4.29Å; W15-Q76 HydrophobicContact CZ3-CB 3.81Å; W15-F566 AromaticContact CE2-CZ 3.8Å; W15-F566 HydrophobicContact CZ2-CE1 4.04Å; W15-F566 HydrophobicContact CZ2-CE2 4.25Å; W15-F566 AromaticContact CZ2-CZ 3.61Å; W15-F566 HydrophobicContact CZ2-CZ 3.61Å; W15-F566 AromaticContact NE1-CZ 3.68Å
16Q91.9Very high88.4Confident57 Ų5763.2 Ų63.227%0.26633%0.328SS..EExtended strand (participates in β ladder)trans-130.7118-174.6-76.9-72.6-47.100110.2K7 T9 E13 R18K7-Q16 PolarHBondContact N-O 2.85Å; K7-Q16 WeakPolarHBondContact O-CB 3.18Å; K7-Q16 PolarHBondContact O-N 3.42Å; T9-Q16 HydrophobicContact CG2-CB 3.81Å; T9-Q16 HydrophobicContact CG2-CG 3.75Å; T9-Q16 WeakPolarHBondContact OG1-CG 3.45Å; E13-Q16 HydrophobicContact CB-CG 4.14Å; E13-Q16 PolarHBondContact O-NE2 3.48Å; Q16-R18 PolarHBondContact O-N 3Å; Q16-R18 VanDerWaalsContact OE1-NH1 3.1Å
17F92.5Very high88.3Confident121 Ų12161.9 Ų61.953%0.53132%0.319SS..EExtended strand (participates in β ladder)trans-60.7131.6175.1-170.5-93.9000111P4P4-F17 HydrophobicContact CB-CE1 4.41Å; P4-F17 HydrophobicContact CB-CE2 3.57Å; P4-F17 HydrophobicContact CB-CZ 3.42Å; P4-F17 VanDerWaalsContact CB-CZ 3.42Å
18R94.8Very high88.3Confident29 Ų2962 Ų6211%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-140.8150.5177.7-59.3-64.4174.6-111.23.8109.3L5 K7 Q16 F20 Y31 Y32L5-R18 PolarHBondContact N-O 3.17Å; L5-R18 VanDerWaalsContact N-O 3.08Å; L5-R18 PolarHBondContact O-N 3.27Å; L5-R18 VanDerWaalsContact O-O 3.07Å; K7-R18 HydrophobicContact CB-CG 4.35Å; Q16-R18 PolarHBondContact O-N 3Å; Q16-R18 VanDerWaalsContact OE1-NH1 3.1Å; R18-F20 HydrophobicContact CB-CD2 4.16Å; R18-F20 HydrophobicContact CB-CE2 3.61Å; R18-F20 HydrophobicContact CB-CZ 4.24Å; R18-Y31 HydrophobicContact CG-CD2 4.37Å; R18-Y32 VanDerWaalsContact CA-O 3.32Å; R18-Y32 WeakPolarHBondContact CA-O 3.06Å; R18-Y32 WeakPolarHBondContact CB-O 3.29Å; R18-Y32 WeakPolarHBondContact CD-O 2.98Å
19W95.8Very high88.7Confident37 Ų3759.9 Ų59.914%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-89.3132.7168.4-165.1-90.8000109E2 P4 Y31 Y32 K35E2-W19 HydrophobicContact CG-CZ2 4.16Å; E2-W19 WeakPolarHBondContact OE1-CZ2 3.11Å; E2-W19 PolarHBondContact OE2-NE1 3.18Å; P4-W19 HydrophobicContact CB-CE3 4.39Å; P4-W19 HydrophobicContact CB-CZ3 4.23Å; P4-W19 HydrophobicContact CG-CZ3 4.46Å; W19-Y31 WeakPolarHBondContact O-CA 3.25Å; W19-Y32 PolarHBondContact N-O 2.88Å; W19-Y32 PolarHBondContact O-N 3.22Å; W19-K35 HydrophobicContact CD2-CB 3.86Å; W19-K35 HydrophobicContact CD2-CD 4.03Å; W19-K35 HydrophobicContact CD2-CG 4.02Å; W19-K35 HydrophobicContact CE3-CB 4.01Å; W19-K35 HydrophobicContact CE3-CD 4.18Å; W19-K35 HydrophobicContact CE3-CG 4.43Å; W19-K35 HydrophobicContact CG-CB 4.1Å; W19-K35 HydrophobicContact CG-CG 4.36Å; W19-K35 HydrophobicContact CH2-CD 3.85Å; W19-K35 HydrophobicContact CZ2-CD 3.66Å; W19-K35 HydrophobicContact CZ2-CG 4.43Å; W19-K35 VanDerWaalsContact CZ2-NZ 3.26Å; W19-K35 HydrophobicContact CZ3-CD 4.09Å
20F96.7Very high89.1Confident0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-115.4143-175.6-79.3-91.7000111.6E2 G3 L5 K7 R18 L29 S30 Y31 F75 W86E2-F20 VanDerWaalsContact CA-O 3.26Å; E2-F20 WeakPolarHBondContact CA-O 3.23Å; E2-F20 WeakPolarHBondContact CB-O 3.35Å; G3-F20 PolarHBondContact N-O 2.97Å; G3-F20 PolarHBondContact O-N 2.99Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.62Å; L5-F20 HydrophobicContact CD1-CD2 4.01Å; L5-F20 HydrophobicContact CD1-CE2 4.27Å; L5-F20 HydrophobicContact CD1-CG 4.21Å; L5-F20 HydrophobicContact CG-CD2 4.1Å; L5-F20 HydrophobicContact CG-CE2 4.46Å; K7-F20 HydrophobicContact CB-CE2 4.34Å; K7-F20 HydrophobicContact CB-CZ 4.02Å; K7-F20 HydrophobicContact CD-CZ 4.26Å; K7-F20 HydrophobicContact CG-CZ 4.26Å; R18-F20 HydrophobicContact CB-CD2 4.16Å; R18-F20 HydrophobicContact CB-CE2 3.61Å; R18-F20 HydrophobicContact CB-CZ 4.24Å; F20-L29 HydrophobicContact CB-CD1 4.24Å; F20-L29 HydrophobicContact CD1-CD1 3.8Å; F20-L29 HydrophobicContact CD1-CD2 3.95Å; F20-L29 HydrophobicContact CD1-CG 3.74Å; F20-L29 HydrophobicContact CE1-CD2 4.1Å; F20-L29 HydrophobicContact CE1-CG 4.24Å; F20-L29 HydrophobicContact CG-CD1 4.47Å; F20-S30 WeakPolarHBondContact CA-O 3.5Å; F20-Y31 VanDerWaalsContact CE1-CB 3.41Å; F20-Y31 HydrophobicContact CE1-CD1 4.17Å; F20-Y31 HydrophobicContact CE1-CG 4.02Å; F20-Y31 HydrophobicContact CZ-CG 4.3Å; F20-F75 HydrophobicContact CE1-CD1 4.13Å; F20-F75 AromaticContact CE1-CE1 3.55Å; F20-F75 HydrophobicContact CE1-CE1 3.55Å; F20-F75 HydrophobicContact CE2-CD1 4.4Å; F20-F75 AromaticContact CZ-CD1 3.75Å; F20-F75 HydrophobicContact CZ-CD1 3.75Å; F20-F75 AromaticContact CZ-CE1 3.5Å; F20-F75 HydrophobicContact CZ-CE1 3.5Å; F20-F75 VanDerWaalsContact CZ-CE1 3.5Å; F20-W86 HydrophobicContact CB-CH2 3.45Å; F20-W86 VanDerWaalsContact CB-CH2 3.45Å; F20-W86 HydrophobicContact CB-CZ2 3.94Å; F20-W86 HydrophobicContact CB-CZ3 4.2Å
21L95.8Very high90Very high60 Ų6057 Ų5731%0.31429%0.294SS..EExtended strand (participates in β ladder)trans-131.7110.7175.8179.265.2000108.4E2 S30 Y32 M38E2-L21 HydrophobicContact CB-CD1 3.93Å; L21-S30 PolarHBondContact N-O 2.62Å; L21-S30 PolarHBondContact O-N 3.38Å; L21-Y32 HydrophobicContact CB-CE2 4.14Å; L21-M38 HydrophobicContact CB-SD 4.18Å; L21-M38 HydrophobicContact CD2-SD 4.28Å
22L96.3Very high91.3Very high4 Ų452.5 Ų52.52%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-88109.8170.8175.360.1000108.9M1 E24 L29 L49 W86 A89 L90 T93M1-L22 HydrophobicContact CB-CB 4.12Å; M1-L22 HydrophobicContact CB-CD2 4.16Å; M1-L22 PolarHBondContact N-O 3.33Å; M1-L22 PolarHBondContact O-N 2.9Å; L22-E24 HydrophobicContact CD2-CG 4.48Å; L22-E24 HydrophobicContact CG-CG 4.27Å; L22-L29 HydrophobicContact CB-CD1 4.08Å; L22-L49 HydrophobicContact CD1-CD1 3.26Å; L22-W86 HydrophobicContact CB-CZ3 4.13Å; L22-A89 HydrophobicContact CD2-CB 3.68Å; L22-L90 HydrophobicContact CD1-CD2 3.99Å; L22-L90 HydrophobicContact CD2-CD2 4.23Å; L22-L90 HydrophobicContact CD2-CG 4.46Å; L22-T93 HydrophobicContact CD1-CG2 4.11Å
23D92.8Very high92.1Very high64 Ų6447.4 Ų47.434%0.34224%0.241SC..EExtended strand (participates in β ladder)trans-92.796.9170.8-175.4-17.3000108.8N25 A26 G27 T28D23-N25 VanDerWaalsContact C-N 3.25Å; D23-N25 PolarHBondContact O-N 2.84Å; D23-N25 WeakPolarHBondContact OD1-CB 3.47Å; D23-N25 PolarHBondContact OD1-N 3.31Å; D23-A26 HydrophobicContact CB-CB 4.09Å; D23-A26 VanDerWaalsContact CG-CB 3.41Å; D23-A26 PolarHBondContact O-N 2.85Å; D23-A26 PolarHBondContact OD1-N 3.29Å; D23-A26 VanDerWaalsContact OD2-CB 3.25Å; D23-A26 WeakPolarHBondContact OD2-CB 3.32Å; D23-G27 WeakPolarHBondContact O-CA 3.35Å; D23-G27 PolarHBondContact O-N 3.49Å; D23-T28 PolarHBondContact N-O 2.76Å; D23-T28 PolarHBondContact O-N 2.82Å; D23-T28 VanDerWaalsContact O-N 3.08Å
24E90.8Very high92.6Very high87 Ų8744.4 Ų44.441%0.40723%0.23SC..THydrogen-bonded Turntrans-62-30.4177.8-70.8138.9-129.200112.2M1 L22 T93 H97M1-E24 PolarHBondContact N-OE1 3.03Å; L22-E24 HydrophobicContact CD2-CG 4.48Å; L22-E24 HydrophobicContact CG-CG 4.27Å; E24-T93 WeakPolarHBondContact CG-OG1 3.38Å; E24-H97 PolarHBondContact O-NE2 3.3Å
25N87.7Confident93Very high151 Ų15147.3 Ų47.381%0.80724%0.239SC*.THydrogen-bonded Turntrans-78.3-40.2-179.7-70.2-66.1000112.2D23 H97D23-N25 VanDerWaalsContact C-N 3.25Å; D23-N25 PolarHBondContact O-N 2.84Å; D23-N25 WeakPolarHBondContact OD1-CB 3.47Å; D23-N25 PolarHBondContact OD1-N 3.31Å; N25-H97 PolarHBondContact O-CE1 2.77Å; N25-H97 PolarHBondContact O-NE2 2.93Å
26A88.6Confident93.2Very high54 Ų5449.3 Ų49.345%0.44625%0.251SS..THydrogen-bonded Turntrans-82-19.2175.800000113.3D23 T28 H97D23-A26 HydrophobicContact CB-CB 4.09Å; D23-A26 VanDerWaalsContact CG-CB 3.41Å; D23-A26 PolarHBondContact O-N 2.85Å; D23-A26 PolarHBondContact OD1-N 3.29Å; D23-A26 VanDerWaalsContact OD2-CB 3.25Å; D23-A26 WeakPolarHBondContact OD2-CB 3.32Å; A26-T28 HydrophobicContact CB-CG2 4.21Å; A26-H97 VanDerWaalsContact C-CE1 3.46Å
27G89.6Confident93.2Very high3 Ų350.4 Ų50.43%0.03126%0.255CS..THydrogen-bonded Turntrans71.842.4-175.500000111.6D23 L49 H97D23-G27 WeakPolarHBondContact O-CA 3.35Å; D23-G27 PolarHBondContact O-N 3.49Å; G27-L49 WeakPolarHBondContact O-CB 3.25Å; G27-L49 PolarHBondContact O-N 3.11Å; G27-H97 VanDerWaalsContact CA-NE2 3.32Å; G27-H97 WeakPolarHBondContact CA-NE2 3.46Å; G27-H97 PolarHBondContact N-CE1 2.73Å; G27-H97 VanDerWaalsContact N-CE1 3.31Å; G27-H97 PolarHBondContact N-NE2 3.41Å
28T93.6Very high93.2Very high22 Ų2246.1 Ų46.114%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-138.3142.7-174.972.90000113.8D23 A26 V47D23-T28 PolarHBondContact N-O 2.76Å; D23-T28 PolarHBondContact O-N 2.82Å; D23-T28 VanDerWaalsContact O-N 3.08Å; A26-T28 HydrophobicContact CB-CG2 4.21Å; T28-V47 CarbonylContact C-O 3.57Å; T28-V47 VanDerWaalsContact CA-O 3.29Å; T28-V47 WeakPolarHBondContact CA-O 3.48Å; T28-V47 WeakPolarHBondContact CB-O 3.36Å
29L95.5Very high93Very high0 Ų050.2 Ų50.20%027%0.265CS..EExtended strand (participates in β ladder)trans-10499.4169.9-177.467.4000108.8F20 L22 V47 L49 I66 F75 W86 L90F20-L29 HydrophobicContact CB-CD1 4.24Å; F20-L29 HydrophobicContact CD1-CD1 3.8Å; F20-L29 HydrophobicContact CD1-CD2 3.95Å; F20-L29 HydrophobicContact CD1-CG 3.74Å; F20-L29 HydrophobicContact CE1-CD2 4.1Å; F20-L29 HydrophobicContact CE1-CG 4.24Å; F20-L29 HydrophobicContact CG-CD1 4.47Å; L22-L29 HydrophobicContact CB-CD1 4.08Å; L29-V47 HydrophobicContact CB-CB 4.37Å; L29-V47 PolarHBondContact N-O 3.03Å; L29-V47 PolarHBondContact O-N 2.83Å; L29-L49 HydrophobicContact CB-CD1 4.25Å; L29-L49 HydrophobicContact CB-CD2 4.2Å; L29-L49 HydrophobicContact CB-CG 4.39Å; L29-I66 HydrophobicContact CD2-CD1 3.53Å; L29-F75 HydrophobicContact CD2-CE1 4.42Å; L29-F75 HydrophobicContact CD2-CZ 4.23Å; L29-W86 HydrophobicContact CD1-CZ3 3.88Å; L29-L90 HydrophobicContact CD1-CD2 4.43Å; L29-L90 HydrophobicContact CD2-CD2 4.19Å
30S94.7Very high92.9Very high7 Ų755.4 Ų55.45%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-87.3145.6175.2-72.90000111F20 L21 R43 C46F20-S30 WeakPolarHBondContact CA-O 3.5Å; L21-S30 PolarHBondContact N-O 2.62Å; L21-S30 PolarHBondContact O-N 3.38Å; S30-R43 VanDerWaalsContact OG-CD 3.26Å; S30-R43 WeakPolarHBondContact OG-CD 3.29Å; S30-R43 PolarHBondContact OG-NH1 3.39Å; S30-C46 PolarHBondContact OG-SG 3.31Å
31Y95.2Very high92.5Very high42 Ų4258.2 Ų58.217%0.16532%0.317CS..EExtended strand (participates in β ladder)trans-136.3151.6178.869.9-92.9000114.2K7 R18 W19 F20 R44 G45K7-Y31 HydrophobicContact CD-CE2 4.44Å; R18-Y31 HydrophobicContact CG-CD2 4.37Å; W19-Y31 WeakPolarHBondContact O-CA 3.25Å; F20-Y31 VanDerWaalsContact CE1-CB 3.41Å; F20-Y31 HydrophobicContact CE1-CD1 4.17Å; F20-Y31 HydrophobicContact CE1-CG 4.02Å; F20-Y31 HydrophobicContact CZ-CG 4.3Å; Y31-R44 HydrophobicContact CD2-CB 4.11Å; Y31-R44 HydrophobicContact CD2-CG 4.25Å; Y31-R44 HydrophobicContact CE2-CB 4.14Å; Y31-R44 HydrophobicContact CE2-CG 3.85Å; Y31-R44 WeakPolarHBondContact O-CA 3.13Å; Y31-R44 WeakPolarHBondContact O-CB 3.18Å; Y31-R44 PolarHBondContact O-N 2.75Å; Y31-G45 PolarHBondContact N-O 3.25Å; Y31-G45 PolarHBondContact O-N 2.86Å; Y31-G45 VanDerWaalsContact O-N 3.15Å
32Y96.3Very high92.2Very high21 Ų2160 Ų608%0.08232%0.324CS..EExtended strand (participates in β ladder)trans-136.8153.1-168.6-55.8-96.9000109.5R18 W19 L21 S34 M38 Q42 R43R18-Y32 VanDerWaalsContact CA-O 3.32Å; R18-Y32 WeakPolarHBondContact CA-O 3.06Å; R18-Y32 WeakPolarHBondContact CB-O 3.29Å; R18-Y32 WeakPolarHBondContact CD-O 2.98Å; W19-Y32 PolarHBondContact N-O 2.88Å; W19-Y32 PolarHBondContact O-N 3.22Å; L21-Y32 HydrophobicContact CB-CE2 4.14Å; Y32-S34 PolarHBondContact O-N 2.89Å; Y32-M38 HydrophobicContact CD1-CB 3.79Å; Y32-M38 HydrophobicContact CD1-CG 4.2Å; Y32-M38 HydrophobicContact CD2-CB 3.77Å; Y32-M38 HydrophobicContact CD2-CG 3.79Å; Y32-M38 HydrophobicContact CD2-SD 4.44Å; Y32-M38 HydrophobicContact CE1-CB 4.1Å; Y32-M38 HydrophobicContact CE1-CG 4.03Å; Y32-M38 HydrophobicContact CE2-CB 4.14Å; Y32-M38 HydrophobicContact CE2-CG 3.66Å; Y32-M38 HydrophobicContact CE2-SD 4.33Å; Y32-M38 HydrophobicContact CG-CB 3.62Å; Y32-M38 HydrophobicContact CG-CG 4.09Å; Y32-Q42 WeakPolarHBondContact CD1-O 3.5Å; Y32-R43 VanDerWaalsContact CD1-CA 3.45Å; Y32-R43 HydrophobicContact CD1-CB 4.21Å; Y32-R43 HydrophobicContact CE1-CB 3.58Å; Y32-R43 HydrophobicContact CE1-CG 4.12Å
33T92Very high92Very high60 Ų6066.6 Ų66.637%0.36835%0.348SS..SBendtrans-74.8-14.1179.356.90000113.8R44T33-R44 HydrophobicContact CG2-CB 4.25Å; T33-R44 HydrophobicContact CG2-CG 4.02Å
34S90.7Very high91.9Very high28 Ų2871.2 Ų71.220%0.19636%0.361CS..SBendtrans-164.2172.4171.173.20000110.6Y32 E36 K37 M38Y32-S34 PolarHBondContact O-N 2.89Å; S34-E36 WeakPolarHBondContact CB-OE2 3.45Å; S34-E36 PolarHBondContact OG-OE2 2.89Å; S34-K37 WeakPolarHBondContact O-CB 3.49Å; S34-K37 PolarHBondContact O-N 3.04Å; S34-K37 WeakPolarHBondContact OG-CG 3.5Å; S34-K37 PolarHBondContact OG-N 3.34Å; S34-M38 PolarHBondContact O-N 2.86Å
35K93.1Very high91.9Very high76 Ų7667.8 Ų67.833%0.3335%0.349SS..Hα-helixtrans-67.9-38.2177.5-169.5164.2-176.1152.20112E2 W19 K37 M38 V39E2-K35 WeakPolarHBondContact OE1-CE 3.44Å; E2-K35 IonicContact OE1-NZ 2.82Å; E2-K35 PolarHBondContact OE1-NZ 2.92Å; W19-K35 HydrophobicContact CD2-CB 3.86Å; W19-K35 HydrophobicContact CD2-CD 4.03Å; W19-K35 HydrophobicContact CD2-CG 4.02Å; W19-K35 HydrophobicContact CE3-CB 4.01Å; W19-K35 HydrophobicContact CE3-CD 4.18Å; W19-K35 HydrophobicContact CE3-CG 4.43Å; W19-K35 HydrophobicContact CG-CB 4.1Å; W19-K35 HydrophobicContact CG-CG 4.36Å; W19-K35 HydrophobicContact CH2-CD 3.85Å; W19-K35 HydrophobicContact CZ2-CD 3.66Å; W19-K35 HydrophobicContact CZ2-CG 4.43Å; W19-K35 VanDerWaalsContact CZ2-NZ 3.26Å; W19-K35 HydrophobicContact CZ3-CD 4.09Å; K35-K37 PolarHBondContact O-N 3.37Å; K35-M38 HydrophobicContact CG-CE 4.3Å; K35-M38 WeakPolarHBondContact O-CA 3.44Å; K35-M38 WeakPolarHBondContact O-CB 3.46Å; K35-M38 PolarHBondContact O-N 2.83Å; K35-V39 WeakPolarHBondContact O-CG2 3.4Å; K35-V39 PolarHBondContact O-N 3.33Å
36E93Very high92.1Very high113 Ų11363 Ų6353%0.52833%0.327SS..Hα-helixtrans-64.1-30.1175.4-40.568.2-117.800111.9S34 K40S34-E36 WeakPolarHBondContact CB-OE2 3.45Å; S34-E36 PolarHBondContact OG-OE2 2.89Å; E36-K40 WeakPolarHBondContact O-CB 2.97Å; E36-K40 WeakPolarHBondContact O-CD 3.35Å; E36-K40 VanDerWaalsContact O-CG 3.24Å; E36-K40 WeakPolarHBondContact O-CG 3.3Å; E36-K40 PolarHBondContact O-N 3.43Å; E36-K40 VanDerWaalsContact O-N 3.12Å
37K91.5Very high92.2Very high79 Ų7960.7 Ų60.734%0.34331%0.307SS..Hα-helixtrans-71.9-34.2172.7-71.8-73.2-163.4-179.30112S34 K35 K40 G41 Q42S34-K37 WeakPolarHBondContact O-CB 3.49Å; S34-K37 PolarHBondContact O-N 3.04Å; S34-K37 WeakPolarHBondContact OG-CG 3.5Å; S34-K37 PolarHBondContact OG-N 3.34Å; K35-K37 PolarHBondContact O-N 3.37Å; K37-K40 PolarHBondContact O-N 2.9Å; K37-G41 PolarHBondContact O-N 2.96Å; K37-Q42 HydrophobicContact CB-CB 4.48Å; K37-Q42 HydrophobicContact CD-CB 4.07Å; K37-Q42 PolarHBondContact O-N 3.1Å
38M92.4Very high92.1Very high31 Ų3168.8 Ų68.815%0.15334%0.337CS..Hα-helixtrans-64.1-49.8169.7-175.3-169.372.100112E2 L21 Y32 S34 K35 K40 G41E2-M38 WeakPolarHBondContact OE2-CE 3.35Å; L21-M38 HydrophobicContact CB-SD 4.18Å; L21-M38 HydrophobicContact CD2-SD 4.28Å; Y32-M38 HydrophobicContact CD1-CB 3.79Å; Y32-M38 HydrophobicContact CD1-CG 4.2Å; Y32-M38 HydrophobicContact CD2-CB 3.77Å; Y32-M38 HydrophobicContact CD2-CG 3.79Å; Y32-M38 HydrophobicContact CD2-SD 4.44Å; Y32-M38 HydrophobicContact CE1-CB 4.1Å; Y32-M38 HydrophobicContact CE1-CG 4.03Å; Y32-M38 HydrophobicContact CE2-CB 4.14Å; Y32-M38 HydrophobicContact CE2-CG 3.66Å; Y32-M38 HydrophobicContact CE2-SD 4.33Å; Y32-M38 HydrophobicContact CG-CB 3.62Å; Y32-M38 HydrophobicContact CG-CG 4.09Å; S34-M38 PolarHBondContact O-N 2.86Å; K35-M38 HydrophobicContact CG-CE 4.3Å; K35-M38 WeakPolarHBondContact O-CA 3.44Å; K35-M38 WeakPolarHBondContact O-CB 3.46Å; K35-M38 PolarHBondContact O-N 2.83Å; M38-K40 PolarHBondContact O-N 3.33Å; M38-K40 VanDerWaalsContact O-N 3.17Å; M38-G41 WeakPolarHBondContact O-CA 3.36Å; M38-G41 PolarHBondContact O-N 3.32Å
39V92Very high91.8Very high115 Ų11567.7 Ų67.770%0.69733%0.33SS*.Hα-helixtrans-58.9-29.8177.9175.30000111.7K35 G41K35-V39 WeakPolarHBondContact O-CG2 3.4Å; K35-V39 PolarHBondContact O-N 3.33Å; V39-G41 VanDerWaalsContact C-N 3.33Å
40K92.7Very high91Very high147 Ų14771.9 Ų71.964%0.63935%0.348SS*.THydrogen-bonded Turntrans-86.46.7174.2-68.1170.2-175.4175.60114.4E36 K37 M38 Q42E36-K40 WeakPolarHBondContact O-CB 2.97Å; E36-K40 WeakPolarHBondContact O-CD 3.35Å; E36-K40 VanDerWaalsContact O-CG 3.24Å; E36-K40 WeakPolarHBondContact O-CG 3.3Å; E36-K40 PolarHBondContact O-N 3.43Å; E36-K40 VanDerWaalsContact O-N 3.12Å; K37-K40 PolarHBondContact O-N 2.9Å; M38-K40 PolarHBondContact O-N 3.33Å; M38-K40 VanDerWaalsContact O-N 3.17Å; K40-Q42 HydrophobicContact CB-CG 4.12Å; K40-Q42 WeakPolarHBondContact O-CG 3.34Å; K40-Q42 PolarHBondContact O-N 2.73Å
41G89Confident89.9Confident58 Ų5873.8 Ų73.860%0.59837%0.369SS*.THydrogen-bonded Turntrans69.18.4-179.600000115.6K37 M38 V39 R43K37-G41 PolarHBondContact O-N 2.96Å; M38-G41 WeakPolarHBondContact O-CA 3.36Å; M38-G41 PolarHBondContact O-N 3.32Å; V39-G41 VanDerWaalsContact C-N 3.33Å; G41-R43 VanDerWaalsContact C-N 3.29Å; G41-R43 PolarHBondContact O-N 2.7Å
42Q88.9Confident89.2Confident99 Ų9972 Ų7246%0.46336%0.364SS..  trans-84.267-170.5-60.6-170.7-1.400111.6Y32 K37 K40 R44Y32-Q42 WeakPolarHBondContact CD1-O 3.5Å; K37-Q42 HydrophobicContact CB-CB 4.48Å; K37-Q42 HydrophobicContact CD-CB 4.07Å; K37-Q42 PolarHBondContact O-N 3.1Å; K40-Q42 HydrophobicContact CB-CG 4.12Å; K40-Q42 WeakPolarHBondContact O-CG 3.34Å; K40-Q42 PolarHBondContact O-N 2.73Å; Q42-R44 PolarHBondContact O-N 2.69Å
43R91.6Very high88.2Confident141 Ų14173.5 Ų73.553%0.53238%0.375SS..  trans-61.6124.9-178.3-173.5170.563.7-179.5-4.7111.9S30 Y32 G41 G45S30-R43 VanDerWaalsContact OG-CD 3.26Å; S30-R43 WeakPolarHBondContact OG-CD 3.29Å; S30-R43 PolarHBondContact OG-NH1 3.39Å; Y32-R43 VanDerWaalsContact CD1-CA 3.45Å; Y32-R43 HydrophobicContact CD1-CB 4.21Å; Y32-R43 HydrophobicContact CE1-CB 3.58Å; Y32-R43 HydrophobicContact CE1-CG 4.12Å; G41-R43 VanDerWaalsContact C-N 3.29Å; G41-R43 PolarHBondContact O-N 2.7Å; R43-G45 WeakPolarHBondContact CD-O 3.29Å; R43-G45 WeakPolarHBondContact CG-O 3.44Å
44R91.3Very high87.9Confident161 Ų16170.9 Ų70.961%0.60836%0.359SS*.  trans-83.7-33.3178-178.257.6172.6141.2-3.2112.1Y31 T33 Q42Y31-R44 HydrophobicContact CD2-CB 4.11Å; Y31-R44 HydrophobicContact CD2-CG 4.25Å; Y31-R44 HydrophobicContact CE2-CB 4.14Å; Y31-R44 HydrophobicContact CE2-CG 3.85Å; Y31-R44 WeakPolarHBondContact O-CA 3.13Å; Y31-R44 WeakPolarHBondContact O-CB 3.18Å; Y31-R44 PolarHBondContact O-N 2.75Å; T33-R44 HydrophobicContact CG2-CB 4.25Å; T33-R44 HydrophobicContact CG2-CG 4.02Å; Q42-R44 PolarHBondContact O-N 2.69Å
45G90.8Very high87.6Confident15 Ų1569.7 Ų69.716%0.15535%0.35CS..EExtended strand (participates in β ladder)trans-166.8174.417400000113Y31 R43Y31-G45 PolarHBondContact N-O 3.25Å; Y31-G45 PolarHBondContact O-N 2.86Å; Y31-G45 VanDerWaalsContact O-N 3.15Å; R43-G45 WeakPolarHBondContact CD-O 3.29Å; R43-G45 WeakPolarHBondContact CG-O 3.44Å
46C91.9Very high87.1Confident52 Ų5267.4 Ų67.435%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-149.7128.5-179.3-173.50000109.6S30S30-C46 PolarHBondContact OG-SG 3.31Å
47V89.8Confident86.5Confident4 Ų464.3 Ų64.32%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-103132.6171.8-176.10000107.5T28 L29 L49 V68 F73T28-V47 CarbonylContact C-O 3.57Å; T28-V47 VanDerWaalsContact CA-O 3.29Å; T28-V47 WeakPolarHBondContact CA-O 3.48Å; T28-V47 WeakPolarHBondContact CB-O 3.36Å; L29-V47 HydrophobicContact CB-CB 4.37Å; L29-V47 PolarHBondContact N-O 3.03Å; L29-V47 PolarHBondContact O-N 2.83Å; V47-L49 HydrophobicContact CG1-CD2 4.4Å; V47-V68 HydrophobicContact CG1-CG1 3.53Å; V47-F73 HydrophobicContact CG1-CD2 4.27Å; V47-F73 HydrophobicContact CG1-CE2 4.07Å; V47-F73 HydrophobicContact CG2-CD2 4.15Å; V47-F73 HydrophobicContact CG2-CE1 4.35Å; V47-F73 HydrophobicContact CG2-CE2 3.99Å; V47-F73 HydrophobicContact CG2-CG 4.41Å; V47-F73 HydrophobicContact CG2-CZ 4.09Å
48R88.1Confident85.8Confident173 Ų17362 Ų6265%0.65332%0.32SS*.EExtended strand (participates in β ladder)trans-87.7135.2171.3-54.3179.7-157.6167.58.6107.6
49L87.3Confident85.1Confident0 Ų064.7 Ų64.70%033%0.332CS..  trans-97.7-10.4-173.9-62.6176.7000113.3L22 G27 L29 V47 G51 A52 I66 L90 T93 I94L22-L49 HydrophobicContact CD1-CD1 3.26Å; G27-L49 WeakPolarHBondContact O-CB 3.25Å; G27-L49 PolarHBondContact O-N 3.11Å; L29-L49 HydrophobicContact CB-CD1 4.25Å; L29-L49 HydrophobicContact CB-CD2 4.2Å; L29-L49 HydrophobicContact CB-CG 4.39Å; V47-L49 HydrophobicContact CG1-CD2 4.4Å; L49-G51 PolarHBondContact O-N 3.49Å; L49-A52 HydrophobicContact CD2-CB 4.31Å; L49-A52 WeakPolarHBondContact O-CB 3.48Å; L49-A52 PolarHBondContact O-N 2.99Å; L49-I66 HydrophobicContact CD2-CD1 4.36Å; L49-I66 HydrophobicContact CD2-CG2 4.21Å; L49-L90 HydrophobicContact CD1-CD2 3.79Å; L49-L90 HydrophobicContact CD2-CD2 4.13Å; L49-T93 HydrophobicContact CD1-CG2 3.82Å; L49-I94 HydrophobicContact CB-CG1 3.92Å; L49-I94 WeakPolarHBondContact O-CG1 3.23Å
50K79.2Confident84.4Confident87 Ų8761.9 Ų61.938%0.37831%0.314SS..THydrogen-bonded Turntrans-62.8112.1175.4-169.6-150.2174.1-165.60110.3A52 H97 Y101K50-A52 VanDerWaalsContact C-N 3.31Å; K50-H97 HydrophobicContact CB-CB 4.48Å; K50-Y101 VanDerWaalsContact CE-CD1 3.49Å; K50-Y101 VanDerWaalsContact NZ-CD2 3.32Å; K50-Y101 VanDerWaalsContact NZ-CE2 3.33Å; K50-Y101 VanDerWaalsContact NZ-CG 3.3Å; K50-Y101 VanDerWaalsContact NZ-CZ 3.31Å
51G70.5Confident84Confident48 Ų4859.8 Ų59.850%0.49531%0.309SS..THydrogen-bonded Turntrans76.316.5-176.400000114L49L49-G51 PolarHBondContact O-N 3.49Å
52A80.8Confident83.9Confident5 Ų558 Ų584%0.04129%0.288CS..  trans-76.8144.616800000110.6L49 K50 I66 T67 V68 I94L49-A52 HydrophobicContact CD2-CB 4.31Å; L49-A52 WeakPolarHBondContact O-CB 3.48Å; L49-A52 PolarHBondContact O-N 2.99Å; K50-A52 VanDerWaalsContact C-N 3.31Å; A52-I66 HydrophobicContact CB-CG2 3.77Å; A52-T67 CarbonylContact C-O 3.59Å; A52-T67 WeakPolarHBondContact CA-O 3.33Å; A52-V68 HydrophobicContact CB-CB 3.71Å; A52-V68 HydrophobicContact CB-CG1 4.46Å; A52-V68 HydrophobicContact CB-CG2 3.92Å; A52-I94 HydrophobicContact CB-CD1 4.19Å; A52-I94 HydrophobicContact CB-CG1 4.34Å; A52-I94 WeakPolarHBondContact O-CG2 3.43Å
53V76.7Confident83.9Confident52 Ų5254 Ų5432%0.31527%0.27SS..EExtended strand (participates in β ladder)trans-109.2128.8170.2-178.70000108.3I66 T67 L501V53-I66 WeakPolarHBondContact O-CA 3.05Å; V53-T67 PolarHBondContact N-O 2.8Å; V53-T67 PolarHBondContact O-N 3Å; V53-L501 HydrophobicContact CB-CD2 4.22Å; V53-L501 HydrophobicContact CG1-CD2 3.74Å; V53-L501 HydrophobicContact CG1-CG 3.96Å
54V85.3Confident83.8Confident5 Ų547.4 Ų47.43%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-84.9141.7169.7-1790000108.1T65 I87 L90 E91 I94 V353 G500V54-T65 WeakPolarHBondContact CA-O 3.39Å; V54-I87 HydrophobicContact CG1-CD1 3.36Å; V54-I87 HydrophobicContact CG1-CG2 4.4Å; V54-L90 HydrophobicContact CG2-CB 4.22Å; V54-E91 HydrophobicContact CG2-CG 4.43Å; V54-I94 HydrophobicContact CG2-CD1 3.56Å; V54-V353 HydrophobicContact CB-CG2 4.42Å; V54-G500 WeakPolarHBondContact O-CA 2.9Å
55G83.3Confident83.8Confident2 Ų240.8 Ų40.82%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-138.4136.217400000111.6F64 T65 L499G55-F64 CarbonylContact O-C 3.51Å; G55-T65 PolarHBondContact N-O 2.89Å; G55-T65 PolarHBondContact O-N 3.44Å; G55-T65 PolarHBondContact O-OG1 3.1Å; G55-L499 VanDerWaalsContact CA-O 3.28Å; G55-L499 WeakPolarHBondContact CA-O 3.41Å
56L84.1Confident83.7Confident28 Ų2840.1 Ų40.115%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-94.4154.1176-71.7-179.5000110.9F64 R83 I87 V353 L499L56-F64 HydrophobicContact CD2-CB 3.97Å; L56-R83 HydrophobicContact CD2-CG 4.34Å; L56-I87 HydrophobicContact CD2-CD1 3.66Å; L56-I87 HydrophobicContact CD2-CG1 4.08Å; L56-V353 HydrophobicContact CB-CG1 4.19Å; L56-V353 HydrophobicContact CD1-CG1 3.79Å; L56-V353 HydrophobicContact CG-CG1 3.67Å; L56-L499 HydrophobicContact CB-CD2 4.43Å; L56-L499 PolarHBondContact N-O 3.04Å
57D78.5Confident83.2Confident49 Ų4939.1 Ų39.126%0.26221%0.208SC..  trans-94.3150.4149.6-145.6-37.6000108.7E59 D60D57-E59 PolarHBondContact OD1-N 3.13Å; D57-D60 HydrophobicContact CB-CB 4.48Å
58D77.6Confident82.7Confident31 Ų3139.4 Ų39.417%0.16621%0.21CC..SBendtrans-111.7-7.4-173-172.261.5000111.1K497 L499 H506 Y530D58-K497 WeakPolarHBondContact OD1-CD 3.17Å; D58-K497 IonicContact OD1-NZ 2.7Å; D58-K497 PolarHBondContact OD1-NZ 2.54Å; D58-K497 IonicContact OD2-NZ 2.64Å; D58-L499 HydrophobicContact CB-CD1 3.7Å; D58-L499 HydrophobicContact CB-CD2 4.02Å; D58-H506 IonicContact OD2-CE1 3.94Å; D58-H506 PolarHBondContact OD2-CE1 2.88Å; D58-H506 IonicContact OD2-NE2 3.54Å; D58-Y530 HydrophobicContact CB-CE1 3.84Å; D58-Y530 WeakPolarHBondContact OD2-CE1 3.18Å; D58-Y530 PolarHBondContact OD2-OH 3.32Å
59E76.9Confident82Confident86 Ų8635.5 Ų35.540%0.40220%0.202SC..SBendtrans-101.1-11.8169.2-57.5-78.5163.900112.5D57 Y530 G544 T563D57-E59 PolarHBondContact OD1-N 3.13Å; E59-Y530 PolarHBondContact OE1-OH 2.83Å; E59-G544 VanDerWaalsContact OE1-CA 3.27Å; E59-G544 WeakPolarHBondContact OE1-CA 3.32Å; E59-G544 PolarHBondContact OE1-N 3.18Å; E59-G544 WeakPolarHBondContact OE2-CA 3.39Å; E59-T563 HydrophobicContact CG-CG2 4.07Å
60D79.1Confident80.7Confident57 Ų5740.2 Ų40.231%0.30522%0.224SC..  trans-129.798.9176.6-175.1-31.1000111.4D57 S62 T63D57-D60 HydrophobicContact CB-CB 4.48Å; D60-S62 PolarHBondContact O-N 3.22Å; D60-S62 WeakPolarHBondContact OD1-CA 3.09Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.15Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; D60-T63 HydrophobicContact CB-CG2 4.39Å; D60-T63 VanDerWaalsContact CG-CG2 3.5Å; D60-T63 PolarHBondContact O-N 3.48Å; D60-T63 PolarHBondContact O-OG1 3.07Å; D60-T63 PolarHBondContact OD1-N 2.99Å; D60-T63 VanDerWaalsContact OD2-CG2 3.3Å; D60-T63 WeakPolarHBondContact OD2-CG2 2.97Å
61D82.9Confident80.5Confident102 Ų10242.2 Ų42.255%0.54523%0.233SC..THydrogen-bonded Turntrans-67.9-4.4-176.1-97.5-38.5000115.8C80 R83D61-C80 HydrophobicContact CB-CB 4.24Å; D61-C80 WeakPolarHBondContact O-CA 3.36Å; D61-C80 WeakPolarHBondContact O-CB 3.14Å; D61-R83 VanDerWaalsContact CA-NH1 3.31Å; D61-R83 WeakPolarHBondContact O-CD 3.49Å; D61-R83 PolarHBondContact O-NH1 3.29Å; D61-R83 IonicContact OD1-CZ 3.74Å; D61-R83 IonicContact OD1-NH1 2.74Å; D61-R83 PolarHBondContact OD1-NH1 3.06Å; D61-R83 IonicContact OD1-NH2 2.69Å; D61-R83 PolarHBondContact OD1-NH2 2.64Å
62S86.8Confident81Confident21 Ų2144.2 Ų44.215%0.14723%0.23CC..THydrogen-bonded Turntrans-101.1-19.4178.6740000113.8D60 Q76 A77D60-S62 PolarHBondContact O-N 3.22Å; D60-S62 WeakPolarHBondContact OD1-CA 3.09Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.15Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; S62-Q76 WeakPolarHBondContact O-CA 3.38Å; S62-Q76 PolarHBondContact OG-NE2 3.4Å; S62-A77 PolarHBondContact O-N 2.99Å
63T89.5Confident81.4Confident16 Ų1645.9 Ų45.910%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-101.1155.4-169.665.50000114W15 D60 F75 Q76 R83W15-T63 HydrophobicContact CH2-CG2 4.46Å; W15-T63 HydrophobicContact CZ2-CG2 4.3Å; D60-T63 HydrophobicContact CB-CG2 4.39Å; D60-T63 VanDerWaalsContact CG-CG2 3.5Å; D60-T63 PolarHBondContact O-N 3.48Å; D60-T63 PolarHBondContact O-OG1 3.07Å; D60-T63 PolarHBondContact OD1-N 2.99Å; D60-T63 VanDerWaalsContact OD2-CG2 3.3Å; D60-T63 WeakPolarHBondContact OD2-CG2 2.97Å; T63-F75 WeakPolarHBondContact CA-O 3.37Å; T63-Q76 HydrophobicContact CG2-CB 4.15Å; T63-Q76 HydrophobicContact CG2-CG 4.27Å; T63-R83 WeakPolarHBondContact O-CD 3.25Å
64F90.4Very high82Confident2 Ų245.2 Ų45.21%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-155.5168.5168.567.2-82.3000111.5L5 G55 L56 I66 F75 R83 W86 I87 L90L5-F64 HydrophobicContact CD1-CE1 4.17Å; L5-F64 HydrophobicContact CD1-CZ 3.67Å; L5-F64 HydrophobicContact CD2-CE1 4Å; L5-F64 HydrophobicContact CD2-CZ 4.33Å; G55-F64 CarbonylContact O-C 3.51Å; L56-F64 HydrophobicContact CD2-CB 3.97Å; F64-I66 HydrophobicContact CD2-CG1 4.44Å; F64-I66 HydrophobicContact CE2-CD1 4.37Å; F64-I66 HydrophobicContact CE2-CG1 4.28Å; F64-F75 HydrophobicContact CD1-CB 3.94Å; F64-F75 HydrophobicContact CD2-CB 4.16Å; F64-F75 AromaticContact CD2-CD2 3.97Å; F64-F75 HydrophobicContact CD2-CD2 3.97Å; F64-F75 HydrophobicContact CD2-CG 4.43Å; F64-F75 HydrophobicContact CE1-CB 3.61Å; F64-F75 HydrophobicContact CE2-CB 3.83Å; F64-F75 AromaticContact CE2-CD2 3.68Å; F64-F75 HydrophobicContact CE2-CD2 3.68Å; F64-F75 AromaticContact CE2-CG 3.92Å; F64-F75 HydrophobicContact CE2-CG 3.92Å; F64-F75 HydrophobicContact CG-CB 4.22Å; F64-F75 HydrophobicContact CZ-CB 3.56Å; F64-F75 HydrophobicContact CZ-CD2 4.23Å; F64-F75 AromaticContact CZ-CG 3.98Å; F64-F75 HydrophobicContact CZ-CG 3.98Å; F64-F75 PolarHBondContact N-O 3.12Å; F64-F75 PolarHBondContact O-N 3.27Å; F64-F75 VanDerWaalsContact O-O 3.1Å; F64-R83 HydrophobicContact CD1-CG 4.03Å; F64-W86 HydrophobicContact CE1-CB 4.39Å; F64-W86 HydrophobicContact CZ-CB 4.06Å; F64-W86 HydrophobicContact CZ-CG 4.5Å; F64-I87 HydrophobicContact CB-CD1 3.69Å; F64-I87 HydrophobicContact CD2-CD1 3.91Å; F64-I87 HydrophobicContact CG-CD1 3.83Å; F64-L90 HydrophobicContact CD2-CD1 4.49Å; F64-L90 HydrophobicContact CE2-CD1 3.65Å; F64-L90 HydrophobicContact CZ-CD1 4.26Å
65T89.6Confident82.4Confident22 Ų2245 Ų4514%0.13523%0.228CC..EExtended strand (participates in β ladder)trans-126.3151.6177.663.10000111.3V54 G55 M72 F73 H74V54-T65 WeakPolarHBondContact CA-O 3.39Å; G55-T65 PolarHBondContact N-O 2.89Å; G55-T65 PolarHBondContact O-N 3.44Å; G55-T65 PolarHBondContact O-OG1 3.1Å; T65-M72 HydrophobicContact CG2-CG 4.09Å; T65-M72 HydrophobicContact CG2-SD 4Å; T65-F73 CarbonylContact C-O 3.56Å; T65-F73 VanDerWaalsContact CA-O 3.26Å; T65-F73 WeakPolarHBondContact CA-O 3.24Å; T65-H74 WeakPolarHBondContact CG2-ND1 3.44Å
66I88.9Confident82.9Confident0 Ų047.5 Ų47.50%024%0.239CC..EExtended strand (participates in β ladder)trans-123.3123.5162.9-54.2170.9000106.9L29 L49 A52 V53 F64 F73 F75 L90L29-I66 HydrophobicContact CD2-CD1 3.53Å; L49-I66 HydrophobicContact CD2-CD1 4.36Å; L49-I66 HydrophobicContact CD2-CG2 4.21Å; A52-I66 HydrophobicContact CB-CG2 3.77Å; V53-I66 WeakPolarHBondContact O-CA 3.05Å; F64-I66 HydrophobicContact CD2-CG1 4.44Å; F64-I66 HydrophobicContact CE2-CD1 4.37Å; F64-I66 HydrophobicContact CE2-CG1 4.28Å; I66-F73 PolarHBondContact N-O 3.06Å; I66-F73 PolarHBondContact O-N 3.1Å; I66-F75 HydrophobicContact CB-CE2 3.81Å; I66-F75 HydrophobicContact CD1-CD2 4.24Å; I66-F75 HydrophobicContact CD1-CE2 3.56Å; I66-F75 HydrophobicContact CD1-CZ 3.99Å; I66-F75 HydrophobicContact CG1-CD2 4.08Å; I66-F75 HydrophobicContact CG1-CE2 3.55Å; I66-F75 HydrophobicContact CG1-CZ 4.42Å; I66-L90 HydrophobicContact CD1-CD1 3.77Å; I66-L90 HydrophobicContact CD1-CD2 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.33Å
67T81.6Confident83.3Confident32 Ų3246.5 Ų46.520%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-112.4120.2177.5-61.50000110.1A52 V53 K71 M72 L501A52-T67 CarbonylContact C-O 3.59Å; A52-T67 WeakPolarHBondContact CA-O 3.33Å; V53-T67 PolarHBondContact N-O 2.8Å; V53-T67 PolarHBondContact O-N 3Å; T67-K71 WeakPolarHBondContact CA-O 3.43Å; T67-M72 WeakPolarHBondContact OG1-CE 3.32Å; T67-L501 HydrophobicContact CG2-CD1 4.41Å; T67-L501 WeakPolarHBondContact OG1-CD1 3.15Å
68V80.2Confident83.9Confident9 Ų953.8 Ų53.86%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-154.6150.8178.769.70000110.6V47 A52 Q70 K71 F73V47-V68 HydrophobicContact CG1-CG1 3.53Å; A52-V68 HydrophobicContact CB-CB 3.71Å; A52-V68 HydrophobicContact CB-CG1 4.46Å; A52-V68 HydrophobicContact CB-CG2 3.92Å; V68-Q70 PolarHBondContact O-N 2.88Å; V68-K71 PolarHBondContact N-O 3.1Å; V68-K71 WeakPolarHBondContact O-CA 3.36Å; V68-K71 WeakPolarHBondContact O-CB 3.32Å; V68-K71 PolarHBondContact O-N 2.97Å; V68-F73 HydrophobicContact CG1-CE2 4.2Å
69D72.4Confident84.5Confident91 Ų9155.2 Ų55.249%0.48727%0.268SS..THydrogen-bonded Turntrans48.245.5-178-60.7-21.3000112.3K71D69-K71 PolarHBondContact O-N 3.07Å; D69-K71 VanDerWaalsContact O-N 3.16Å
70Q60.3Low85.1Confident100 Ų10053.9 Ų53.947%0.46727%0.267SS..THydrogen-bonded Turntrans59.913.4-174.6-55.1166.87.700115.6V68 S173 H176V68-Q70 PolarHBondContact O-N 2.88Å; Q70-S173 VanDerWaalsContact NE2-CA 3.35Å; Q70-S173 PolarHBondContact NE2-OG 3.04Å; Q70-H176 HydrophobicContact CG-CB 4.16Å
71K74.8Confident85.6Confident129 Ų12957.3 Ų57.356%0.56128%0.282SS*.EExtended strand (participates in β ladder)trans-117.4116.8-176.1-70.8158.7-172161.40111.1T67 V68 D69 F73T67-K71 WeakPolarHBondContact CA-O 3.43Å; V68-K71 PolarHBondContact N-O 3.1Å; V68-K71 WeakPolarHBondContact O-CA 3.36Å; V68-K71 WeakPolarHBondContact O-CB 3.32Å; V68-K71 PolarHBondContact O-N 2.97Å; D69-K71 PolarHBondContact O-N 3.07Å; D69-K71 VanDerWaalsContact O-N 3.16Å; K71-F73 HydrophobicContact CB-CE2 3.8Å; K71-F73 HydrophobicContact CB-CZ 3.96Å; K71-F73 WeakPolarHBondContact O-CD2 3.36Å
72M81.9Confident86.1Confident90 Ų9053.7 Ų53.744%0.44326%0.261SS..EExtended strand (participates in β ladder)trans-80.1129.6166.5-173172.4-76.600109.8T65 T67 H74 L501T65-M72 HydrophobicContact CG2-CG 4.09Å; T65-M72 HydrophobicContact CG2-SD 4Å; T67-M72 WeakPolarHBondContact OG1-CE 3.32Å; M72-H74 PolarHBondContact SD-CE1 3.09Å; M72-L501 HydrophobicContact CE-CD1 3.68Å
73F88.8Confident86.3Confident40 Ų4053.6 Ų53.618%0.17526%0.258CS..EExtended strand (participates in β ladder)trans-115121.5171.5-59.5-86.1000108V47 T65 I66 V68 K71 F75V47-F73 HydrophobicContact CG1-CD2 4.27Å; V47-F73 HydrophobicContact CG1-CE2 4.07Å; V47-F73 HydrophobicContact CG2-CD2 4.15Å; V47-F73 HydrophobicContact CG2-CE1 4.35Å; V47-F73 HydrophobicContact CG2-CE2 3.99Å; V47-F73 HydrophobicContact CG2-CG 4.41Å; V47-F73 HydrophobicContact CG2-CZ 4.09Å; T65-F73 CarbonylContact C-O 3.56Å; T65-F73 VanDerWaalsContact CA-O 3.26Å; T65-F73 WeakPolarHBondContact CA-O 3.24Å; I66-F73 PolarHBondContact N-O 3.06Å; I66-F73 PolarHBondContact O-N 3.1Å; V68-F73 HydrophobicContact CG1-CE2 4.2Å; K71-F73 HydrophobicContact CB-CE2 3.8Å; K71-F73 HydrophobicContact CB-CZ 3.96Å; K71-F73 WeakPolarHBondContact O-CD2 3.36Å; F73-F75 HydrophobicContact CB-CE1 4.46Å; F73-F75 HydrophobicContact CB-CE2 3.49Å; F73-F75 VanDerWaalsContact CB-CE2 3.49Å; F73-F75 HydrophobicContact CB-CZ 3.46Å; F73-F75 VanDerWaalsContact CB-CZ 3.46Å; F73-F75 HydrophobicContact CG-CZ 4.39Å; F73-F75 VanDerWaalsContact O-CD2 3.3Å; F73-F75 WeakPolarHBondContact O-CD2 3.28Å; F73-F75 WeakPolarHBondContact O-CE2 3.41Å
74H90.1Very high86.4Confident38 Ų3855.3 Ų55.318%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-92137176.2-52.8-99.8000110.7W8 W15 T65 M72W8-H74 HydrophobicContact CB-CB 3.94Å; W8-H74 PolarHBondContact N-O 3.19Å; W8-H74 VanDerWaalsContact N-O 3.08Å; W15-H74 HydrophobicContact CH2-CB 3.91Å; W15-H74 HydrophobicContact CZ3-CB 4.39Å; T65-H74 WeakPolarHBondContact CG2-ND1 3.44Å; M72-H74 PolarHBondContact SD-CE1 3.09Å
75F93.8Very high86.5Confident0 Ų061.4 Ų61.40%029%0.289CS..EExtended strand (participates in β ladder)trans-130.9154-179.9-53.2-83.7000110.1L5 S6 K7 F20 L29 T63 F64 I66 F73L5-F75 HydrophobicContact CD1-CB 4.35Å; L5-F75 HydrophobicContact CD1-CD1 4.2Å; L5-F75 HydrophobicContact CD1-CG 4.48Å; S6-F75 CarbonylContact O-C 3.58Å; S6-F75 VanDerWaalsContact O-CA 3.29Å; S6-F75 WeakPolarHBondContact O-CA 3.11Å; K7-F75 HydrophobicContact CB-CD1 4.33Å; K7-F75 HydrophobicContact CD-CE1 4.32Å; K7-F75 HydrophobicContact CG-CD1 4.01Å; K7-F75 HydrophobicContact CG-CE1 3.87Å; F20-F75 HydrophobicContact CE1-CD1 4.13Å; F20-F75 AromaticContact CE1-CE1 3.55Å; F20-F75 HydrophobicContact CE1-CE1 3.55Å; F20-F75 HydrophobicContact CE2-CD1 4.4Å; F20-F75 AromaticContact CZ-CD1 3.75Å; F20-F75 HydrophobicContact CZ-CD1 3.75Å; F20-F75 AromaticContact CZ-CE1 3.5Å; F20-F75 HydrophobicContact CZ-CE1 3.5Å; F20-F75 VanDerWaalsContact CZ-CE1 3.5Å; L29-F75 HydrophobicContact CD2-CE1 4.42Å; L29-F75 HydrophobicContact CD2-CZ 4.23Å; T63-F75 WeakPolarHBondContact CA-O 3.37Å; F64-F75 HydrophobicContact CD1-CB 3.94Å; F64-F75 HydrophobicContact CD2-CB 4.16Å; F64-F75 AromaticContact CD2-CD2 3.97Å; F64-F75 HydrophobicContact CD2-CD2 3.97Å; F64-F75 HydrophobicContact CD2-CG 4.43Å; F64-F75 HydrophobicContact CE1-CB 3.61Å; F64-F75 HydrophobicContact CE2-CB 3.83Å; F64-F75 AromaticContact CE2-CD2 3.68Å; F64-F75 HydrophobicContact CE2-CD2 3.68Å; F64-F75 AromaticContact CE2-CG 3.92Å; F64-F75 HydrophobicContact CE2-CG 3.92Å; F64-F75 HydrophobicContact CG-CB 4.22Å; F64-F75 HydrophobicContact CZ-CB 3.56Å; F64-F75 HydrophobicContact CZ-CD2 4.23Å; F64-F75 AromaticContact CZ-CG 3.98Å; F64-F75 HydrophobicContact CZ-CG 3.98Å; F64-F75 PolarHBondContact N-O 3.12Å; F64-F75 PolarHBondContact O-N 3.27Å; F64-F75 VanDerWaalsContact O-O 3.1Å; I66-F75 HydrophobicContact CB-CE2 3.81Å; I66-F75 HydrophobicContact CD1-CD2 4.24Å; I66-F75 HydrophobicContact CD1-CE2 3.56Å; I66-F75 HydrophobicContact CD1-CZ 3.99Å; I66-F75 HydrophobicContact CG1-CD2 4.08Å; I66-F75 HydrophobicContact CG1-CE2 3.55Å; I66-F75 HydrophobicContact CG1-CZ 4.42Å; F73-F75 HydrophobicContact CB-CE1 4.46Å; F73-F75 HydrophobicContact CB-CE2 3.49Å; F73-F75 VanDerWaalsContact CB-CE2 3.49Å; F73-F75 HydrophobicContact CB-CZ 3.46Å; F73-F75 VanDerWaalsContact CB-CZ 3.46Å; F73-F75 HydrophobicContact CG-CZ 4.39Å; F73-F75 VanDerWaalsContact O-CD2 3.3Å; F73-F75 WeakPolarHBondContact O-CD2 3.28Å; F73-F75 WeakPolarHBondContact O-CE2 3.41Å
76Q93.2Very high86.7Confident54 Ų5460.3 Ų60.325%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-137.9126.1173.7175.6171.15500108.2S6 W15 S62 T63S6-Q76 PolarHBondContact N-O 2.83Å; S6-Q76 PolarHBondContact O-N 3.17Å; W15-Q76 HydrophobicContact CE3-CB 4.19Å; W15-Q76 HydrophobicContact CH2-CB 3.87Å; W15-Q76 HydrophobicContact CZ2-CB 4.29Å; W15-Q76 HydrophobicContact CZ3-CB 3.81Å; S62-Q76 WeakPolarHBondContact O-CA 3.38Å; S62-Q76 PolarHBondContact OG-NE2 3.4Å; T63-Q76 HydrophobicContact CG2-CB 4.15Å; T63-Q76 HydrophobicContact CG2-CG 4.27Å
77A93.3Very high86.8Confident7 Ų760.7 Ų60.76%0.05829%0.285CS..  trans-84.7172.417100000110.7L5 S62 D79 E82 R83L5-A77 HydrophobicContact CD2-CB 3.95Å; S62-A77 PolarHBondContact O-N 2.99Å; A77-D79 WeakPolarHBondContact CB-O 3.44Å; A77-E82 HydrophobicContact CB-CB 4.06Å; A77-E82 HydrophobicContact CB-CG 3.97Å; A77-R83 HydrophobicContact CB-CB 3.97Å
78Y90.5Very high87.2Confident203 Ų20366.8 Ų66.880%0.79630%0.304SS*.SBendtrans-67.9-38.5173.2179.5-100.2000112.5E82Y78-E82 WeakPolarHBondContact CB-OE2 2.96Å; Y78-E82 PolarHBondContact N-OE2 3.15Å
79D90Very high87.8Confident61 Ų6167.5 Ų67.533%0.32631%0.311SS..SBendtrans-151.1179.3179.557.938.9000111.3A77 E81 E82 R83A77-D79 WeakPolarHBondContact CB-O 3.44Å; D79-E81 PolarHBondContact OD1-N 2.74Å; D79-E81 VanDerWaalsContact OD1-N 3.08Å; D79-E82 WeakPolarHBondContact OD1-CB 3.47Å; D79-E82 PolarHBondContact OD1-N 2.86Å; D79-R83 WeakPolarHBondContact O-CB 3.26Å; D79-R83 PolarHBondContact O-N 3.25Å
80C88.4Confident88.8Confident57 Ų5763.1 Ų63.139%0.38529%0.288SS..Hα-helixtrans-67.9-29.5178.255.10000113.5D61 R83 D84D61-C80 HydrophobicContact CB-CB 4.24Å; D61-C80 WeakPolarHBondContact O-CA 3.36Å; D61-C80 WeakPolarHBondContact O-CB 3.14Å; C80-R83 WeakPolarHBondContact O-CB 3.28Å; C80-R83 PolarHBondContact O-N 2.97Å; C80-D84 WeakPolarHBondContact O-CB 3.43Å; C80-D84 PolarHBondContact O-N 3.31Å
81E91.1Very high90Very high129 Ų12960.3 Ų60.360%0.60327%0.274SS*.Hα-helixtrans-69.5-41.8176.9-69.8-167-164.200111.8D79 R85D79-E81 PolarHBondContact OD1-N 2.74Å; D79-E81 VanDerWaalsContact OD1-N 3.08Å; E81-R85 VanDerWaalsContact O-CB 3.23Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 3.33Å; E81-R85 IonicContact OE2-NH2 3.75Å
82E92.4Very high90.6Very high26 Ų2658 Ų5812%0.12127%0.274CS..Hα-helixtrans-67.3-42.3172.9-179.3173.4-119.800110.8A77 Y78 D79 R85 W86A77-E82 HydrophobicContact CB-CB 4.06Å; A77-E82 HydrophobicContact CB-CG 3.97Å; Y78-E82 WeakPolarHBondContact CB-OE2 2.96Å; Y78-E82 PolarHBondContact N-OE2 3.15Å; D79-E82 WeakPolarHBondContact OD1-CB 3.47Å; D79-E82 PolarHBondContact OD1-N 2.86Å; E82-R85 PolarHBondContact O-N 3.28Å; E82-W86 VanDerWaalsContact O-CD1 3.25Å; E82-W86 PolarHBondContact O-N 3.05Å
83R92.2Very high90.9Very high19 Ų1953.8 Ų53.87%0.07225%0.254CS..Hα-helixtrans-51.4-60.9171.8-175.7-164.170.2-166.7-15.2109.7L56 D61 T63 F64 A77 D79 C80 R85 W86 I87L56-R83 HydrophobicContact CD2-CG 4.34Å; D61-R83 VanDerWaalsContact CA-NH1 3.31Å; D61-R83 WeakPolarHBondContact O-CD 3.49Å; D61-R83 PolarHBondContact O-NH1 3.29Å; D61-R83 IonicContact OD1-CZ 3.74Å; D61-R83 IonicContact OD1-NH1 2.74Å; D61-R83 PolarHBondContact OD1-NH1 3.06Å; D61-R83 IonicContact OD1-NH2 2.69Å; D61-R83 PolarHBondContact OD1-NH2 2.64Å; T63-R83 WeakPolarHBondContact O-CD 3.25Å; F64-R83 HydrophobicContact CD1-CG 4.03Å; A77-R83 HydrophobicContact CB-CB 3.97Å; D79-R83 WeakPolarHBondContact O-CB 3.26Å; D79-R83 PolarHBondContact O-N 3.25Å; C80-R83 WeakPolarHBondContact O-CB 3.28Å; C80-R83 PolarHBondContact O-N 2.97Å; R83-R85 PolarHBondContact O-N 3.37Å; R83-R85 VanDerWaalsContact O-N 3.15Å; R83-W86 WeakPolarHBondContact O-CA 3.39Å; R83-W86 WeakPolarHBondContact O-CB 3.33Å; R83-W86 PolarHBondContact O-N 3.5Å; R83-I87 HydrophobicContact CG-CG1 4.16Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.39Å; R83-I87 PolarHBondContact O-N 3.14Å
84D89.9Confident90.8Very high53 Ų5352.8 Ų52.828%0.28325%0.25SS..Hα-helixtrans-65.2-24.5-173.3-672.6000112.8C80 R88C80-D84 WeakPolarHBondContact O-CB 3.43Å; C80-D84 PolarHBondContact O-N 3.31Å; D84-R88 WeakPolarHBondContact O-CB 3.43Å; D84-R88 WeakPolarHBondContact O-CG 3.37Å; D84-R88 PolarHBondContact O-N 2.68Å; D84-R88 VanDerWaalsContact O-N 3.16Å; D84-R88 PolarHBondContact O-NE 3.35Å
85R92.9Very high90.1Very high129 Ų12955.1 Ų55.149%0.48726%0.261SS..Hα-helixtrans-72-42.2172.3-166.5-176-55140.97.2111.6M1 E81 E82 R83 A89M1-R85 HydrophobicContact CE-CB 4.36Å; M1-R85 HydrophobicContact CE-CG 3.93Å; E81-R85 VanDerWaalsContact O-CB 3.23Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 3.33Å; E81-R85 IonicContact OE2-NH2 3.75Å; E82-R85 PolarHBondContact O-N 3.28Å; R83-R85 PolarHBondContact O-N 3.37Å; R83-R85 VanDerWaalsContact O-N 3.15Å; R85-A89 PolarHBondContact O-N 3.39Å
86W94.4Very high89.6Confident0 Ų058.8 Ų58.80%028%0.28CS..Hα-helixtrans-65.8-45.2171.6-81.9106.8000112M1 L5 F20 L22 L29 F64 E82 R83 A89 L90M1-W86 HydrophobicContact CE-CB 4.42Å; M1-W86 HydrophobicContact CE-CD2 3.52Å; M1-W86 HydrophobicContact CE-CE3 4.03Å; M1-W86 HydrophobicContact CE-CG 3.67Å; M1-W86 HydrophobicContact CE-CZ2 4.25Å; M1-W86 HydrophobicContact CG-CE3 4.45Å; M1-W86 HydrophobicContact CG-CH2 4.45Å; M1-W86 HydrophobicContact CG-CZ3 4.27Å; M1-W86 HydrophobicContact SD-CD2 3.92Å; M1-W86 HydrophobicContact SD-CE3 3.8Å; M1-W86 HydrophobicContact SD-CG 4.35Å; M1-W86 HydrophobicContact SD-CZ3 4.22Å; L5-W86 HydrophobicContact CD1-CD2 4.03Å; L5-W86 HydrophobicContact CD1-CE3 4.49Å; L5-W86 HydrophobicContact CD1-CG 4.32Å; L5-W86 HydrophobicContact CD1-CZ2 4.27Å; L5-W86 HydrophobicContact CD2-CG 4.26Å; L5-W86 HydrophobicContact CG-CD2 4.41Å; L5-W86 HydrophobicContact CG-CZ2 4.19Å; F20-W86 HydrophobicContact CB-CH2 3.45Å; F20-W86 VanDerWaalsContact CB-CH2 3.45Å; F20-W86 HydrophobicContact CB-CZ2 3.94Å; F20-W86 HydrophobicContact CB-CZ3 4.2Å; L22-W86 HydrophobicContact CB-CZ3 4.13Å; L29-W86 HydrophobicContact CD1-CZ3 3.88Å; F64-W86 HydrophobicContact CE1-CB 4.39Å; F64-W86 HydrophobicContact CZ-CB 4.06Å; F64-W86 HydrophobicContact CZ-CG 4.5Å; E82-W86 VanDerWaalsContact O-CD1 3.25Å; E82-W86 PolarHBondContact O-N 3.05Å; R83-W86 WeakPolarHBondContact O-CA 3.39Å; R83-W86 WeakPolarHBondContact O-CB 3.33Å; R83-W86 PolarHBondContact O-N 3.5Å; W86-A89 PolarHBondContact O-N 3.34Å; W86-L90 HydrophobicContact CB-CD1 4.49Å; W86-L90 WeakPolarHBondContact O-CB 3.49Å; W86-L90 WeakPolarHBondContact O-CD1 3.46Å; W86-L90 WeakPolarHBondContact O-CG 3.4Å; W86-L90 PolarHBondContact O-N 3.23Å
87I90.5Very high89Confident7 Ų757.5 Ų57.54%0.03627%0.274CS..Hα-helixtrans-54.6-56.7178.5-62-70.4000110.2V54 L56 F64 R83 A89 L90 E91V54-I87 HydrophobicContact CG1-CD1 3.36Å; V54-I87 HydrophobicContact CG1-CG2 4.4Å; L56-I87 HydrophobicContact CD2-CD1 3.66Å; L56-I87 HydrophobicContact CD2-CG1 4.08Å; F64-I87 HydrophobicContact CB-CD1 3.69Å; F64-I87 HydrophobicContact CD2-CD1 3.91Å; F64-I87 HydrophobicContact CG-CD1 3.83Å; R83-I87 HydrophobicContact CG-CG1 4.16Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.39Å; R83-I87 PolarHBondContact O-N 3.14Å; I87-A89 VanDerWaalsContact C-N 3.3Å; I87-A89 PolarHBondContact O-N 3.47Å; I87-L90 PolarHBondContact O-N 3.11Å; I87-L90 VanDerWaalsContact O-N 3.08Å; I87-E91 HydrophobicContact CG2-CG 4.18Å; I87-E91 WeakPolarHBondContact O-CG 3.38Å; I87-E91 PolarHBondContact O-N 3.04Å
88R90.1Very high87.9Confident161 Ų16157.8 Ų57.861%0.60828%0.276SS*.Hα-helixtrans-56.6-40-179.4-78.1175.7-85.1-170.7-11.9113.2D84 S92D84-R88 WeakPolarHBondContact O-CB 3.43Å; D84-R88 WeakPolarHBondContact O-CG 3.37Å; D84-R88 PolarHBondContact O-N 2.68Å; D84-R88 VanDerWaalsContact O-N 3.16Å; D84-R88 PolarHBondContact O-NE 3.35Å; R88-S92 VanDerWaalsContact O-CB 3.22Å; R88-S92 WeakPolarHBondContact O-CB 3.39Å; R88-S92 PolarHBondContact O-N 3.02Å; R88-S92 VanDerWaalsContact O-N 3.09Å
89A93.1Very high86.9Confident23 Ų2351 Ų5119%0.1925%0.253CS..Hα-helixtrans-71.2-38.2177.800000112.6M1 L22 R85 W86 I87 T93M1-A89 HydrophobicContact CB-CB 4.37Å; M1-A89 HydrophobicContact SD-CB 3.64Å; L22-A89 HydrophobicContact CD2-CB 3.68Å; R85-A89 PolarHBondContact O-N 3.39Å; W86-A89 PolarHBondContact O-N 3.34Å; I87-A89 VanDerWaalsContact C-N 3.3Å; I87-A89 PolarHBondContact O-N 3.47Å; A89-T93 WeakPolarHBondContact O-CB 3.22Å; A89-T93 PolarHBondContact O-N 3.1Å; A89-T93 VanDerWaalsContact O-N 3.08Å; A89-T93 PolarHBondContact O-OG1 2.61Å
90L92.8Very high85.8Confident0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-67.1-50.7176.2-72.1165.4000111.4L22 L29 L49 V54 F64 I66 W86 I87 S92 T93 I94L22-L90 HydrophobicContact CD1-CD2 3.99Å; L22-L90 HydrophobicContact CD2-CD2 4.23Å; L22-L90 HydrophobicContact CD2-CG 4.46Å; L29-L90 HydrophobicContact CD1-CD2 4.43Å; L29-L90 HydrophobicContact CD2-CD2 4.19Å; L49-L90 HydrophobicContact CD1-CD2 3.79Å; L49-L90 HydrophobicContact CD2-CD2 4.13Å; V54-L90 HydrophobicContact CG2-CB 4.22Å; F64-L90 HydrophobicContact CD2-CD1 4.49Å; F64-L90 HydrophobicContact CE2-CD1 3.65Å; F64-L90 HydrophobicContact CZ-CD1 4.26Å; I66-L90 HydrophobicContact CD1-CD1 3.77Å; I66-L90 HydrophobicContact CD1-CD2 3.97Å; I66-L90 HydrophobicContact CG1-CD1 4.33Å; W86-L90 HydrophobicContact CB-CD1 4.49Å; W86-L90 WeakPolarHBondContact O-CB 3.49Å; W86-L90 WeakPolarHBondContact O-CD1 3.46Å; W86-L90 WeakPolarHBondContact O-CG 3.4Å; W86-L90 PolarHBondContact O-N 3.23Å; I87-L90 PolarHBondContact O-N 3.11Å; I87-L90 VanDerWaalsContact O-N 3.08Å; L90-S92 PolarHBondContact O-N 3.24Å; L90-T93 WeakPolarHBondContact O-CB 3.41Å; L90-T93 PolarHBondContact O-N 3.41Å; L90-T93 VanDerWaalsContact O-N 3.13Å; L90-I94 WeakPolarHBondContact O-CB 3.43Å; L90-I94 WeakPolarHBondContact O-CD1 3.44Å; L90-I94 WeakPolarHBondContact O-CG1 3.32Å; L90-I94 PolarHBondContact O-N 2.66Å
91E85.9Confident84.4Confident40 Ų4051.6 Ų51.619%0.18725%0.247CC..Hα-helixtrans-56.9-48.5176.7-71.7-177.3124.300111.4V54 I87 T93 I94 Q95 V353V54-E91 HydrophobicContact CG2-CG 4.43Å; I87-E91 HydrophobicContact CG2-CG 4.18Å; I87-E91 WeakPolarHBondContact O-CG 3.38Å; I87-E91 PolarHBondContact O-N 3.04Å; E91-T93 VanDerWaalsContact C-N 3.28Å; E91-T93 PolarHBondContact O-N 3.18Å; E91-I94 PolarHBondContact O-N 3.45Å; E91-I94 VanDerWaalsContact O-N 3.16Å; E91-Q95 WeakPolarHBondContact O-CB 3.36Å; E91-Q95 PolarHBondContact O-N 2.61Å; E91-V353 WeakPolarHBondContact OE1-CG2 3.42Å; E91-V353 PolarHBondContact OE1-N 3.01Å
92S86.8Confident82.6Confident80 Ų8050.6 Ų50.656%0.55924%0.238SC*.Hα-helixtrans-56.6-41.4175.5-177.20000112.1R88 L90 L96R88-S92 VanDerWaalsContact O-CB 3.22Å; R88-S92 WeakPolarHBondContact O-CB 3.39Å; R88-S92 PolarHBondContact O-N 3.02Å; R88-S92 VanDerWaalsContact O-N 3.09Å; L90-S92 PolarHBondContact O-N 3.24Å; S92-L96 WeakPolarHBondContact O-CB 3.43Å; S92-L96 PolarHBondContact O-N 3.11Å
93T89.9Confident80.9Confident2 Ų255.6 Ų55.61%0.01226%0.257CS..Hα-helixtrans-67.4-43.8175.8-57.20000112.5L22 E24 L49 A89 L90 E91 H97L22-T93 HydrophobicContact CD1-CG2 4.11Å; E24-T93 WeakPolarHBondContact CG-OG1 3.38Å; L49-T93 HydrophobicContact CD1-CG2 3.82Å; A89-T93 WeakPolarHBondContact O-CB 3.22Å; A89-T93 PolarHBondContact O-N 3.1Å; A89-T93 VanDerWaalsContact O-N 3.08Å; A89-T93 PolarHBondContact O-OG1 2.61Å; L90-T93 WeakPolarHBondContact O-CB 3.41Å; L90-T93 PolarHBondContact O-N 3.41Å; L90-T93 VanDerWaalsContact O-N 3.13Å; E91-T93 VanDerWaalsContact C-N 3.28Å; E91-T93 PolarHBondContact O-N 3.18Å; T93-H97 PolarHBondContact O-CD2 3.1Å; T93-H97 VanDerWaalsContact O-CD2 3.28Å; T93-H97 PolarHBondContact O-N 3.46Å
94I84.9Confident79.2Confident20 Ų2062.3 Ų62.310%0.10328%0.282CS..Hα-helixtrans-62.6-44.7179.3-69.4161.2000110.2L49 A52 V54 L90 E91 S98L49-I94 HydrophobicContact CB-CG1 3.92Å; L49-I94 WeakPolarHBondContact O-CG1 3.23Å; A52-I94 HydrophobicContact CB-CD1 4.19Å; A52-I94 HydrophobicContact CB-CG1 4.34Å; A52-I94 WeakPolarHBondContact O-CG2 3.43Å; V54-I94 HydrophobicContact CG2-CD1 3.56Å; L90-I94 WeakPolarHBondContact O-CB 3.43Å; L90-I94 WeakPolarHBondContact O-CD1 3.44Å; L90-I94 WeakPolarHBondContact O-CG1 3.32Å; L90-I94 PolarHBondContact O-N 2.66Å; E91-I94 PolarHBondContact O-N 3.45Å; E91-I94 VanDerWaalsContact O-N 3.16Å; I94-S98 WeakPolarHBondContact O-CB 3.33Å; I94-S98 PolarHBondContact O-N 3.37Å; I94-S98 PolarHBondContact O-OG 2.79Å
95Q77.3Confident77Confident86 Ų8661 Ų6140%0.40227%0.274SS..Hα-helixtrans-65.8-49.9178.1-176.959.319.200110.8E91 H97 S98 D99E91-Q95 WeakPolarHBondContact O-CB 3.36Å; E91-Q95 PolarHBondContact O-N 2.61Å; Q95-H97 VanDerWaalsContact C-N 3.29Å; Q95-H97 PolarHBondContact O-N 2.86Å; Q95-S98 CarbonylContact O-C 3.57Å; Q95-S98 WeakPolarHBondContact O-CA 3.48Å; Q95-S98 WeakPolarHBondContact O-CB 3.27Å; Q95-S98 PolarHBondContact O-N 2.98Å; Q95-D99 WeakPolarHBondContact CG-OD2 3.37Å; Q95-D99 PolarHBondContact NE2-OD1 2.87Å; Q95-D99 PolarHBondContact NE2-OD2 3.06Å; Q95-D99 WeakPolarHBondContact O-CB 3.24Å; Q95-D99 PolarHBondContact O-N 2.87Å
96L83.2Confident74.8Confident77 Ų7757.6 Ų57.640%0.40327%0.27SS..Hα-helixtrans-54.3-43.1176.7178.561.9000112.3S92 S98 L100S92-L96 WeakPolarHBondContact O-CB 3.43Å; S92-L96 PolarHBondContact O-N 3.11Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-L100 HydrophobicContact CD1-CD1 4Å; L96-L100 HydrophobicContact CD1-CG 4.11Å; L96-L100 HydrophobicContact CG-CD1 3.95Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.4Å
97H80.1Confident72.7Confident28 Ų2864.7 Ų64.713%0.1330%0.301CS..Hα-helixtrans-75.4-22.5178.4-81.4-94.7000113.8E24 N25 A26 G27 K50 T93 Q95 Y101E24-H97 PolarHBondContact O-NE2 3.3Å; N25-H97 PolarHBondContact O-CE1 2.77Å; N25-H97 PolarHBondContact O-NE2 2.93Å; A26-H97 VanDerWaalsContact C-CE1 3.46Å; G27-H97 VanDerWaalsContact CA-NE2 3.32Å; G27-H97 WeakPolarHBondContact CA-NE2 3.46Å; G27-H97 PolarHBondContact N-CE1 2.73Å; G27-H97 VanDerWaalsContact N-CE1 3.31Å; G27-H97 PolarHBondContact N-NE2 3.41Å; K50-H97 HydrophobicContact CB-CB 4.48Å; T93-H97 PolarHBondContact O-CD2 3.1Å; T93-H97 VanDerWaalsContact O-CD2 3.28Å; T93-H97 PolarHBondContact O-N 3.46Å; Q95-H97 VanDerWaalsContact C-N 3.29Å; Q95-H97 PolarHBondContact O-N 2.86Å; H97-Y101 VanDerWaalsContact O-CB 3.31Å; H97-Y101 WeakPolarHBondContact O-CB 3.36Å; H97-Y101 PolarHBondContact O-N 3.42Å
98S70.2Confident70.6Confident13 Ų1374.7 Ų74.79%0.09134%0.338CS..Hα-helixtrans-76.4-42.6171-59.70000111.6I94 Q95 L96 Y101 R102I94-S98 WeakPolarHBondContact O-CB 3.33Å; I94-S98 PolarHBondContact O-N 3.37Å; I94-S98 PolarHBondContact O-OG 2.79Å; Q95-S98 CarbonylContact O-C 3.57Å; Q95-S98 WeakPolarHBondContact O-CA 3.48Å; Q95-S98 WeakPolarHBondContact O-CB 3.27Å; Q95-S98 PolarHBondContact O-N 2.98Å; L96-S98 VanDerWaalsContact C-N 3.34Å; S98-Y101 PolarHBondContact O-N 3.12Å; S98-R102 PolarHBondContact O-N 2.98Å
99D67.9Low68.6Low59 Ų5969.5 Ų69.532%0.31632%0.32SS..Hα-helixtrans-63.9-48.1173.6-70.3-32.2000111.7Q95 Y101 R102 Y103Q95-D99 WeakPolarHBondContact CG-OD2 3.37Å; Q95-D99 PolarHBondContact NE2-OD1 2.87Å; Q95-D99 PolarHBondContact NE2-OD2 3.06Å; Q95-D99 WeakPolarHBondContact O-CB 3.24Å; Q95-D99 PolarHBondContact O-N 2.87Å; D99-Y101 PolarHBondContact O-N 3.45Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 IonicContact OD1-CZ 3.48Å; D99-R102 IonicContact OD1-NH1 3.11Å; D99-R102 PolarHBondContact OD1-NH1 2.97Å; D99-R102 IonicContact OD1-NH2 2.67Å; D99-R102 PolarHBondContact OD1-NH2 3.33Å; D99-Y103 WeakPolarHBondContact O-CB 3.4Å; D99-Y103 PolarHBondContact O-N 2.86Å
100L67.4Low66.3Low58 Ų5870.8 Ų70.830%0.30434%0.336SS..Hα-helixtrans-62.3-30.8175-75172.8000112.2L96 R104L96-L100 HydrophobicContact CD1-CD1 4Å; L96-L100 HydrophobicContact CD1-CG 4.11Å; L96-L100 HydrophobicContact CG-CD1 3.95Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 3.4Å; L100-R104 VanDerWaalsContact O-CB 3.26Å; L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CD 3.33Å; L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.42Å
101Y58.6Low64Low73 Ų7380.5 Ų80.529%0.28638%0.378SS..Hα-helixtrans-71-49.1172.6-171.4-120.8000111.1K50 H97 S98 D99 Y103 R104 F105 Y183 Q187K50-Y101 VanDerWaalsContact CE-CD1 3.49Å; K50-Y101 VanDerWaalsContact NZ-CD2 3.32Å; K50-Y101 VanDerWaalsContact NZ-CE2 3.33Å; K50-Y101 VanDerWaalsContact NZ-CG 3.3Å; K50-Y101 VanDerWaalsContact NZ-CZ 3.31Å; H97-Y101 VanDerWaalsContact O-CB 3.31Å; H97-Y101 WeakPolarHBondContact O-CB 3.36Å; H97-Y101 PolarHBondContact O-N 3.42Å; S98-Y101 PolarHBondContact O-N 3.12Å; D99-Y101 PolarHBondContact O-N 3.45Å; Y101-Y103 PolarHBondContact O-N 3.13Å; Y101-R104 PolarHBondContact O-N 3.23Å; Y101-F105 HydrophobicContact CE1-CD2 4.44Å; Y101-F105 WeakPolarHBondContact O-CB 3.4Å; Y101-F105 PolarHBondContact O-N 2.91Å; Y101-Y183 HydrophobicContact CD1-CE1 4.1Å; Y101-Y183 HydrophobicContact CE1-CE1 4.06Å; Y101-Q187 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q187 HydrophobicContact CD1-CG 4.41Å; Y101-Q187 HydrophobicContact CE1-CG 4.06Å
102R54.8Low61.9Low108 Ų10882.6 Ų82.641%0.40839%0.391SS..Hα-helixtrans-54.5-47174.1-79.1-169.7-100.492.27.2112S98 D99 F105 S106S98-R102 PolarHBondContact O-N 2.98Å; D99-R102 PolarHBondContact O-N 3.1Å; D99-R102 IonicContact OD1-CZ 3.48Å; D99-R102 IonicContact OD1-NH1 3.11Å; D99-R102 PolarHBondContact OD1-NH1 2.97Å; D99-R102 IonicContact OD1-NH2 2.67Å; D99-R102 PolarHBondContact OD1-NH2 3.33Å; R102-F105 WeakPolarHBondContact O-CB 3.48Å; R102-F105 PolarHBondContact O-N 3.38Å; R102-S106 PolarHBondContact O-N 3.35Å; R102-S106 PolarHBondContact O-OG 2.72Å
103Y55.6Low59.9Low132 Ų13284 Ų8452%0.51840%0.401SS..Hα-helixtrans-65.2-41.9177.8-177.9-94.4000113.3D99 Y101 F105 S106 K107D99-Y103 WeakPolarHBondContact O-CB 3.4Å; D99-Y103 PolarHBondContact O-N 2.86Å; Y101-Y103 PolarHBondContact O-N 3.13Å; Y103-F105 PolarHBondContact O-N 3.48Å; Y103-S106 PolarHBondContact O-OG 3.08Å; Y103-K107 HydrophobicContact CE1-CD 3.67Å; Y103-K107 WeakPolarHBondContact O-CB 3.34Å; Y103-K107 PolarHBondContact O-N 3.34Å; Y103-K107 VanDerWaalsContact O-N 3.08Å; Y103-K107 PolarHBondContact OH-NZ 2.91Å
104R56.5Low57.7Low160 Ų16088.7 Ų88.760%0.60444%0.439SS*.Hα-helixtrans-68.4-26.2175.1-74.3172.3-176.7173.64.7112.1L100 Y101 R108L100-R104 VanDerWaalsContact O-CB 3.26Å; L100-R104 WeakPolarHBondContact O-CB 3.22Å; L100-R104 WeakPolarHBondContact O-CD 3.33Å; L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.42Å; Y101-R104 PolarHBondContact O-N 3.23Å; R104-R108 WeakPolarHBondContact O-CB 3.31Å; R104-R108 WeakPolarHBondContact O-CG 3.45Å; R104-R108 PolarHBondContact O-N 3.06Å
105F43.9Very low55.9Low26 Ų2695.6 Ų95.611%0.11446%0.464CS..Hα-helixtrans-73.5-58.5174.3-146-64.8000110.9Y101 R102 Y103 K107 R108 F109 Q187 I188Y101-F105 HydrophobicContact CE1-CD2 4.44Å; Y101-F105 WeakPolarHBondContact O-CB 3.4Å; Y101-F105 PolarHBondContact O-N 2.91Å; R102-F105 WeakPolarHBondContact O-CB 3.48Å; R102-F105 PolarHBondContact O-N 3.38Å; Y103-F105 PolarHBondContact O-N 3.48Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 2.78Å; F105-R108 PolarHBondContact O-N 3.02Å; F105-F109 AromaticContact CD1-CD2 3.51Å; F105-F109 HydrophobicContact CD1-CD2 3.51Å; F105-F109 AromaticContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CG 4.23Å; F105-F109 HydrophobicContact CE1-CD1 4.44Å; F105-F109 AromaticContact CE1-CD2 3.25Å; F105-F109 HydrophobicContact CE1-CD2 3.25Å; F105-F109 AromaticContact CE1-CE2 3.37Å; F105-F109 HydrophobicContact CE1-CE2 3.37Å; F105-F109 AromaticContact CE1-CG 3.84Å; F105-F109 HydrophobicContact CE1-CG 3.84Å; F105-F109 HydrophobicContact CE1-CZ 4.04Å; F105-F109 HydrophobicContact CE2-CE2 4.49Å; F105-F109 HydrophobicContact CG-CD2 4.46Å; F105-F109 HydrophobicContact CZ-CD2 4.08Å; F105-F109 AromaticContact CZ-CE2 3.7Å; F105-F109 HydrophobicContact CZ-CE2 3.7Å; F105-F109 HydrophobicContact CZ-CZ 4.15Å; F105-F109 WeakPolarHBondContact O-CD2 3.24Å; F105-F109 PolarHBondContact O-N 2.89Å; F105-Q187 HydrophobicContact CD1-CB 4.47Å; F105-Q187 WeakPolarHBondContact CD1-O 3.4Å; F105-Q187 HydrophobicContact CD2-CB 3.74Å; F105-Q187 HydrophobicContact CE2-CB 4.07Å; F105-Q187 HydrophobicContact CG-CB 3.97Å; F105-Q187 WeakPolarHBondContact CG-O 3.31Å; F105-I188 HydrophobicContact CE1-CB 4.1Å; F105-I188 HydrophobicContact CE1-CG1 3.48Å; F105-I188 VanDerWaalsContact CE1-CG1 3.48Å; F105-I188 HydrophobicContact CE2-CG1 4.47Å; F105-I188 HydrophobicContact CZ-CB 4.45Å; F105-I188 HydrophobicContact CZ-CD1 4.37Å; F105-I188 HydrophobicContact CZ-CG1 3.39Å
106S46.6Very low54.5Low57 Ų5792.6 Ų92.640%0.39945%0.452SS..Hα-helixtrans-56.3-42.1-17964.80000111.9R102 Y103 R108 F109 G110R102-S106 PolarHBondContact O-N 3.35Å; R102-S106 PolarHBondContact O-OG 2.72Å; Y103-S106 PolarHBondContact O-OG 3.08Å; S106-R108 VanDerWaalsContact C-N 3.28Å; S106-R108 PolarHBondContact O-N 3.05Å; S106-F109 PolarHBondContact O-N 3.48Å; S106-G110 WeakPolarHBondContact O-CA 3.4Å; S106-G110 PolarHBondContact O-N 3.06Å
107K50.1Low52.9Low149 Ų14993 Ų9365%0.64846%0.461SS*.Hα-helixtrans-69.8-16.3177.8-160.7169.9-168.9172.20114.8Y103 F105Y103-K107 HydrophobicContact CE1-CD 3.67Å; Y103-K107 WeakPolarHBondContact O-CB 3.34Å; Y103-K107 PolarHBondContact O-N 3.34Å; Y103-K107 VanDerWaalsContact O-N 3.08Å; Y103-K107 PolarHBondContact OH-NZ 2.91Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 2.78Å
108R47Very low51.8Low216 Ų21695.9 Ų95.982%0.81548%0.484SS*.Hα-helixtrans-94.3-18.1175.2-83.2-176.7169.5-168-2.2114.2R104 F105 S106R104-R108 WeakPolarHBondContact O-CB 3.31Å; R104-R108 WeakPolarHBondContact O-CG 3.45Å; R104-R108 PolarHBondContact O-N 3.06Å; F105-R108 PolarHBondContact O-N 3.02Å; S106-R108 VanDerWaalsContact C-N 3.28Å; S106-R108 PolarHBondContact O-N 3.05Å
109F47.7Very low51.5Low52 Ų5299.8 Ų99.823%0.22850%0.5CS..Hα-helixtrans-122-21.9-174.5-72.6-94000114.3F105 S106 K111 D112 K119F105-F109 AromaticContact CD1-CD2 3.51Å; F105-F109 HydrophobicContact CD1-CD2 3.51Å; F105-F109 AromaticContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CG 4.23Å; F105-F109 HydrophobicContact CE1-CD1 4.44Å; F105-F109 AromaticContact CE1-CD2 3.25Å; F105-F109 HydrophobicContact CE1-CD2 3.25Å; F105-F109 AromaticContact CE1-CE2 3.37Å; F105-F109 HydrophobicContact CE1-CE2 3.37Å; F105-F109 AromaticContact CE1-CG 3.84Å; F105-F109 HydrophobicContact CE1-CG 3.84Å; F105-F109 HydrophobicContact CE1-CZ 4.04Å; F105-F109 HydrophobicContact CE2-CE2 4.49Å; F105-F109 HydrophobicContact CG-CD2 4.46Å; F105-F109 HydrophobicContact CZ-CD2 4.08Å; F105-F109 AromaticContact CZ-CE2 3.7Å; F105-F109 HydrophobicContact CZ-CE2 3.7Å; F105-F109 HydrophobicContact CZ-CZ 4.15Å; F105-F109 WeakPolarHBondContact O-CD2 3.24Å; F105-F109 PolarHBondContact O-N 2.89Å; S106-F109 PolarHBondContact O-N 3.48Å; F109-K111 PolarHBondContact O-N 3.49Å; F109-D112 PolarHBondContact O-N 3.43Å; F109-K119 HydrophobicContact CE1-CD 3.85Å
110G45Very low51Low51 Ų5198.9 Ų98.953%0.52649%0.494SS..THydrogen-bonded Turntrans-7137.7-176.400000117S106S106-G110 WeakPolarHBondContact O-CA 3.4Å; S106-G110 PolarHBondContact O-N 3.06Å
111K44.6Very low50.9Low203 Ų20398.3 Ų98.388%0.88350%0.498SS*.THydrogen-bonded Turntrans-141.5-15.4167.8-85.4-162.5170.4-173.70115.6F109F109-K111 PolarHBondContact O-N 3.49Å
112D42Very low51.4Low85 Ų8597.6 Ų97.646%0.45551%0.507SS..  trans-108.262.7-175.4-83.817.1000111.7F109 A114 R115 T116F109-D112 PolarHBondContact O-N 3.43Å; D112-A114 VanDerWaalsContact C-N 3.32Å; D112-A114 PolarHBondContact O-N 3.04Å; D112-R115 HydrophobicContact CB-CB 3.8Å; D112-R115 PolarHBondContact O-N 3.19Å; D112-R115 WeakPolarHBondContact OD2-CD 3.47Å; D112-R115 IonicContact OD2-NH1 3.53Å; D112-R115 PolarHBondContact OD2-NH1 2.97Å; D112-T116 PolarHBondContact O-N 3.36Å; D112-T116 PolarHBondContact O-OG1 3.43Å
113S45.5Very low52Low110 Ų11095.3 Ų95.377%0.76950%0.5SS*.Hα-helixtrans-47.1-49.1-176.3175.50000113.7R115 T116S113-R115 PolarHBondContact O-N 2.66Å; S113-R115 VanDerWaalsContact O-N 3.14Å; S113-T116 PolarHBondContact O-N 3.1Å
114A43.2Very low52.4Low100 Ų10092.5 Ų92.583%0.82649%0.492SS*.Hα-helixtrans-66.2-14.8179.500000115D112D112-A114 VanDerWaalsContact C-N 3.32Å; D112-A114 PolarHBondContact O-N 3.04Å
115R45.5Very low53.2Low165 Ų16589.3 Ų89.362%0.62349%0.49SS*.Hα-helixtrans-102.9-14-175.4-143.7175.4-170.1174.64.8113.2D112 S113D112-R115 HydrophobicContact CB-CB 3.8Å; D112-R115 PolarHBondContact O-N 3.19Å; D112-R115 WeakPolarHBondContact OD2-CD 3.47Å; D112-R115 IonicContact OD2-NH1 3.53Å; D112-R115 PolarHBondContact OD2-NH1 2.97Å; S113-R115 PolarHBondContact O-N 2.66Å; S113-R115 VanDerWaalsContact O-N 3.14Å
116T49.3Very low54.8Low23 Ų2392.1 Ų92.114%0.14150%0.503CS..Hα-helixtrans-72-42.6177.2-56.60000111.4D112 S113 S118 K119 L120 I188D112-T116 PolarHBondContact O-N 3.36Å; D112-T116 PolarHBondContact O-OG1 3.43Å; S113-T116 PolarHBondContact O-N 3.1Å; T116-S118 PolarHBondContact O-N 3.02Å; T116-K119 PolarHBondContact O-N 3.14Å; T116-L120 PolarHBondContact O-N 2.86Å; T116-I188 HydrophobicContact CG2-CG2 3.54Å
117S50.3Low56Low86 Ų8690.4 Ų90.460%0.60149%0.489SS*.Hα-helixtrans-51.9-49.3179.8169.60000113.1K119 L120 A121S117-K119 PolarHBondContact O-N 3.23Å; S117-L120 PolarHBondContact O-N 2.77Å; S117-A121 WeakPolarHBondContact O-CB 3.5Å; S117-A121 PolarHBondContact O-N 3.1Å
118S56.7Low56.9Low88 Ų8887.1 Ų87.162%0.61548%0.484SS*.Hα-helixtrans-60.2-28.7177.6160.60000113.9T116 A122T116-S118 PolarHBondContact O-N 3.02Å; S118-A122 PolarHBondContact O-N 2.9Å
119K62.5Low58.4Low95 Ų9580.1 Ų80.141%0.41346%0.461SS..Hα-helixtrans-86.7-32.6177.2-68.3-179.7178.4177.40112.3F109 T116 S117 A122 F123F109-K119 HydrophobicContact CE1-CD 3.85Å; T116-K119 PolarHBondContact O-N 3.14Å; S117-K119 PolarHBondContact O-N 3.23Å; K119-A122 PolarHBondContact O-N 3.46Å; K119-F123 PolarHBondContact O-N 3.29Å
120L59.2Low59.7Low40 Ų4078.4 Ų78.421%0.20946%0.455CS..Hα-helixtrans-65.7-47.9175.3-154.3113.9000110.2T116 S117 A122 F123 E124 I188 I189T116-L120 PolarHBondContact O-N 2.86Å; S117-L120 PolarHBondContact O-N 2.77Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.22Å; L120-F123 CarbonylContact O-C 3.55Å; L120-F123 WeakPolarHBondContact O-CA 3.4Å; L120-F123 WeakPolarHBondContact O-CB 3.27Å; L120-F123 PolarHBondContact O-N 3.37Å; L120-E124 WeakPolarHBondContact O-CG 3.35Å; L120-E124 PolarHBondContact O-N 3.14Å; L120-I188 HydrophobicContact CD1-CB 4.42Å; L120-I188 HydrophobicContact CD1-CG2 3.95Å; L120-I189 HydrophobicContact CD1-CG1 4.15Å
121A63.8Low60.7Low46 Ų4679 Ų7938%0.3845%0.446SS..Hα-helixtrans-59.8-36.1174.800000113.1S117 T125S117-A121 WeakPolarHBondContact O-CB 3.5Å; S117-A121 PolarHBondContact O-N 3.1Å; A121-T125 VanDerWaalsContact O-CB 3.32Å; A121-T125 WeakPolarHBondContact O-CB 3.4Å; A121-T125 PolarHBondContact O-N 3.02Å; A121-T125 PolarHBondContact O-OG1 2.84Å
122A68.7Low62.1Low58 Ų5872.4 Ų72.448%0.47943%0.425SS..Hα-helixtrans-69.3-36.1173.800000112.5S118 K119 L120 K126S118-A122 PolarHBondContact O-N 2.9Å; K119-A122 PolarHBondContact O-N 3.46Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.22Å; A122-K126 WeakPolarHBondContact O-CB 3.3Å; A122-K126 PolarHBondContact O-N 3.26Å; A122-K126 VanDerWaalsContact O-N 3.07Å
123F67.6Low64Low59 Ų5973.6 Ų73.626%0.25942%0.424SS..Hα-helixtrans-66.6-45172-106.7-83.8000111.9K119 L120 K126 I127 L181 A184 K185 I188K119-F123 PolarHBondContact O-N 3.29Å; L120-F123 CarbonylContact O-C 3.55Å; L120-F123 WeakPolarHBondContact O-CA 3.4Å; L120-F123 WeakPolarHBondContact O-CB 3.27Å; L120-F123 PolarHBondContact O-N 3.37Å; F123-K126 PolarHBondContact O-N 3.37Å; F123-I127 VanDerWaalsContact O-CG1 3.27Å; F123-I127 WeakPolarHBondContact O-CG1 3.46Å; F123-I127 PolarHBondContact O-N 2.85Å; F123-L181 HydrophobicContact CD1-CD2 4.31Å; F123-L181 WeakPolarHBondContact CD1-O 3.25Å; F123-L181 HydrophobicContact CE1-CD2 3.86Å; F123-L181 WeakPolarHBondContact CE1-O 3.42Å; F123-A184 HydrophobicContact CE1-CB 3.56Å; F123-A184 HydrophobicContact CZ-CB 3.77Å; F123-K185 HydrophobicContact CD1-CB 4.43Å; F123-I188 HydrophobicContact CD2-CD1 3.43Å; F123-I188 VanDerWaalsContact CD2-CD1 3.43Å; F123-I188 HydrophobicContact CE2-CD1 3.66Å; F123-I188 HydrophobicContact CG-CD1 4.03Å; F123-I188 HydrophobicContact CZ-CD1 4.43Å
124E64.5Low65.5Low73 Ų7368.5 Ų68.534%0.34139%0.388SS..Hα-helixtrans-62.5-45.7177.7-71.2170.2147.100111.2L120 K126 I127 S128 K185L120-E124 WeakPolarHBondContact O-CG 3.35Å; L120-E124 PolarHBondContact O-N 3.14Å; E124-K126 VanDerWaalsContact C-N 3.29Å; E124-K126 PolarHBondContact O-N 3.13Å; E124-I127 PolarHBondContact O-N 2.89Å; E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 3.09Å; E124-K185 HydrophobicContact CG-CD 4.22Å; E124-K185 WeakPolarHBondContact OE1-CE 3.3Å; E124-K185 IonicContact OE1-NZ 2.65Å; E124-K185 PolarHBondContact OE1-NZ 2.94Å
125T73.4Confident67Low93 Ų9367.8 Ų67.857%0.57137%0.368SS*.Hα-helixtrans-56.8-43.1173.5-58.40000111.3A121 E129A121-T125 VanDerWaalsContact O-CB 3.32Å; A121-T125 WeakPolarHBondContact O-CB 3.4Å; A121-T125 PolarHBondContact O-N 3.02Å; A121-T125 PolarHBondContact O-OG1 2.84Å; T125-E129 WeakPolarHBondContact O-CB 3.45Å; T125-E129 PolarHBondContact O-N 2.97Å
126K77.4Confident68.8Low86 Ų8664.8 Ų64.837%0.37436%0.362SS..Hα-helixtrans-71.7-34.1178.8-161.472.8-146.7173.90112.9A122 F123 E124 E129 V130 L181A122-K126 WeakPolarHBondContact O-CB 3.3Å; A122-K126 PolarHBondContact O-N 3.26Å; A122-K126 VanDerWaalsContact O-N 3.07Å; F123-K126 PolarHBondContact O-N 3.37Å; E124-K126 VanDerWaalsContact C-N 3.29Å; E124-K126 PolarHBondContact O-N 3.13Å; K126-E129 WeakPolarHBondContact CE-OE2 3.22Å; K126-E129 IonicContact NZ-OE1 2.73Å; K126-E129 PolarHBondContact NZ-OE1 3.23Å; K126-E129 IonicContact NZ-OE2 2.61Å; K126-E129 PolarHBondContact NZ-OE2 2.71Å; K126-E129 PolarHBondContact O-N 3.15Å; K126-V130 WeakPolarHBondContact O-CG2 3.5Å; K126-V130 PolarHBondContact O-N 3.13Å; K126-L181 HydrophobicContact CG-CD1 4.24Å; K126-L181 HydrophobicContact CG-CD2 4.43Å
127I71.5Confident70.4Confident20 Ų2065.1 Ų65.110%0.10336%0.363CS..Hα-helixtrans-63.6-51173-71161000109.3F123 E124 E129 V130 D131 L181 Q182 K185F123-I127 VanDerWaalsContact O-CG1 3.27Å; F123-I127 WeakPolarHBondContact O-CG1 3.46Å; F123-I127 PolarHBondContact O-N 2.85Å; E124-I127 PolarHBondContact O-N 2.89Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.94Å; I127-V130 PolarHBondContact O-N 2.78Å; I127-D131 VanDerWaalsContact O-CB 3.27Å; I127-D131 WeakPolarHBondContact O-CB 3.32Å; I127-D131 PolarHBondContact O-N 2.83Å; I127-L181 HydrophobicContact CD1-CB 4.41Å; I127-L181 HydrophobicContact CG1-CB 3.72Å; I127-L181 HydrophobicContact CG1-CD1 4.48Å; I127-Q182 HydrophobicContact CD1-CG 3.89Å; I127-Q182 HydrophobicContact CG1-CG 4.18Å; I127-Q182 HydrophobicContact CG2-CG 4.12Å; I127-K185 HydrophobicContact CD1-CB 4.04Å; I127-K185 HydrophobicContact CD1-CD 4.08Å
128S68.9Low71.6Confident80 Ų8061.7 Ų61.756%0.55934%0.337SS*.Hα-helixtrans-62.1-34.1177-600000113.5E124 S132E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 3.09Å; S128-S132 VanDerWaalsContact O-CB 3.26Å; S128-S132 WeakPolarHBondContact O-CB 3.43Å; S128-S132 PolarHBondContact O-N 2.98Å
129E78.3Confident72.9Confident70 Ų7062.3 Ų62.333%0.32733%0.331SS..Hα-helixtrans-66.6-46.7175.2-167.3-160.4130.600111.8T125 K126 I127 S132 Y133T125-E129 WeakPolarHBondContact O-CB 3.45Å; T125-E129 PolarHBondContact O-N 2.97Å; K126-E129 WeakPolarHBondContact CE-OE2 3.22Å; K126-E129 IonicContact NZ-OE1 2.73Å; K126-E129 PolarHBondContact NZ-OE1 3.23Å; K126-E129 IonicContact NZ-OE2 2.61Å; K126-E129 PolarHBondContact NZ-OE2 2.71Å; K126-E129 PolarHBondContact O-N 3.15Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 2.94Å; E129-S132 PolarHBondContact O-N 2.81Å; E129-Y133 HydrophobicContact CG-CD2 4.47Å; E129-Y133 HydrophobicContact CG-CE2 3.77Å; E129-Y133 VanDerWaalsContact O-CD2 3.23Å; E129-Y133 WeakPolarHBondContact O-CD2 3.36Å; E129-Y133 PolarHBondContact O-N 2.85Å; E129-Y133 VanDerWaalsContact O-N 3.13Å; E129-Y133 WeakPolarHBondContact OE1-CE2 2.97Å
130V76.4Confident74Confident16 Ų1663.3 Ų63.310%0.09734%0.335CS..Hα-helixtrans-71.5-33.4179.2-1790000111.5K126 I127 Y133 L134 F174 I178 L181K126-V130 WeakPolarHBondContact O-CG2 3.5Å; K126-V130 PolarHBondContact O-N 3.13Å; I127-V130 PolarHBondContact O-N 2.78Å; V130-Y133 PolarHBondContact O-N 3.02Å; V130-L134 PolarHBondContact O-N 2.9Å; V130-F174 HydrophobicContact CG1-CD1 3.74Å; V130-F174 HydrophobicContact CG1-CE1 4.21Å; V130-I178 HydrophobicContact CB-CG1 4.11Å; V130-I178 HydrophobicContact CG1-CD1 4.13Å; V130-I178 HydrophobicContact CG1-CG1 3.57Å; V130-L181 HydrophobicContact CB-CD1 4.32Å; V130-L181 HydrophobicContact CG2-CD1 3.91Å
131D65.5Low75.3Confident62 Ų6262 Ų6233%0.33233%0.329SS..Hα-helixtrans-67.3-42.1173.2-170.665.3000112.2I127 Y133 L134 Q135 I178I127-D131 VanDerWaalsContact O-CB 3.27Å; I127-D131 WeakPolarHBondContact O-CB 3.32Å; I127-D131 PolarHBondContact O-N 2.83Å; D131-Y133 VanDerWaalsContact C-N 3.31Å; D131-Y133 PolarHBondContact O-N 2.85Å; D131-L134 WeakPolarHBondContact O-CA 3.16Å; D131-L134 WeakPolarHBondContact O-CB 3.3Å; D131-L134 PolarHBondContact O-N 2.83Å; D131-Q135 WeakPolarHBondContact O-CG 3.44Å; D131-Q135 PolarHBondContact O-N 3.48Å; D131-I178 HydrophobicContact CB-CD1 4.07Å
132S74.6Confident76.3Confident65 Ų6565.6 Ų65.646%0.45534%0.336SS..Hα-helixtrans-58.4-41.7172.2-178.40000112.1S128 E129 Q135 M136S128-S132 VanDerWaalsContact O-CB 3.26Å; S128-S132 WeakPolarHBondContact O-CB 3.43Å; S128-S132 PolarHBondContact O-N 2.98Å; E129-S132 PolarHBondContact O-N 2.81Å; S132-Q135 PolarHBondContact O-N 2.86Å; S132-M136 WeakPolarHBondContact O-CG 3.36Å; S132-M136 PolarHBondContact O-N 2.76Å
133Y81.7Confident77.2Confident111 Ų11166.8 Ų66.844%0.43534%0.337SS..Hα-helixtrans-66.6-37.2172.6-64.3-38.3000113E129 V130 D131 M136 I137 F174E129-Y133 HydrophobicContact CG-CD2 4.47Å; E129-Y133 HydrophobicContact CG-CE2 3.77Å; E129-Y133 VanDerWaalsContact O-CD2 3.23Å; E129-Y133 WeakPolarHBondContact O-CD2 3.36Å; E129-Y133 PolarHBondContact O-N 2.85Å; E129-Y133 VanDerWaalsContact O-N 3.13Å; E129-Y133 WeakPolarHBondContact OE1-CE2 2.97Å; V130-Y133 PolarHBondContact O-N 3.02Å; D131-Y133 VanDerWaalsContact C-N 3.31Å; D131-Y133 PolarHBondContact O-N 2.85Å; Y133-M136 HydrophobicContact CD1-SD 4.17Å; Y133-M136 PolarHBondContact O-N 3.08Å; Y133-I137 VanDerWaalsContact O-CG1 3.28Å; Y133-I137 WeakPolarHBondContact O-CG1 3.42Å; Y133-I137 PolarHBondContact O-N 2.91Å; Y133-F174 HydrophobicContact CD2-CE1 4.31Å; Y133-F174 HydrophobicContact CG-CE1 4.36Å
134L77.6Confident78.2Confident3 Ų365.8 Ų65.82%0.01633%0.334CS..Hα-helixtrans-61.7-46.6174.3175.557.4000111V130 D131 M136 I137 I138 L171 F174 K175 I178V130-L134 PolarHBondContact O-N 2.9Å; D131-L134 WeakPolarHBondContact O-CA 3.16Å; D131-L134 WeakPolarHBondContact O-CB 3.3Å; D131-L134 PolarHBondContact O-N 2.83Å; L134-M136 PolarHBondContact O-N 3.19Å; L134-I137 PolarHBondContact O-N 2.86Å; L134-I137 VanDerWaalsContact O-N 3.12Å; L134-I138 HydrophobicContact CD1-CD1 4.16Å; L134-I138 HydrophobicContact CD1-CG1 4.23Å; L134-I138 HydrophobicContact CG-CD1 3.96Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.07Å; L134-L171 HydrophobicContact CD1-CD2 3.47Å; L134-L171 VanDerWaalsContact CD1-CD2 3.47Å; L134-F174 HydrophobicContact CB-CB 4.36Å; L134-F174 HydrophobicContact CD1-CB 3.99Å; L134-K175 HydrophobicContact CD1-CG 4.43Å; L134-K175 HydrophobicContact CD2-CG 4.13Å; L134-I178 HydrophobicContact CB-CD1 4Å; L134-I178 HydrophobicContact CD2-CD1 3.52Å; L134-I178 HydrophobicContact CG-CD1 4.4Å
135Q74.6Confident79.2Confident84 Ų8466.7 Ų66.739%0.39334%0.338SS..Hα-helixtrans-60.4-43.3176.6-67.4-63.4-10.500112.3D131 S132 I137 I138 E139D131-Q135 WeakPolarHBondContact O-CG 3.44Å; D131-Q135 PolarHBondContact O-N 3.48Å; S132-Q135 PolarHBondContact O-N 2.86Å; Q135-I137 VanDerWaalsContact C-N 3.32Å; Q135-I137 PolarHBondContact O-N 2.69Å; Q135-I138 PolarHBondContact O-N 3.38Å; Q135-E139 PolarHBondContact O-N 2.87Å
136M82.7Confident79.9Confident102 Ų10266.6 Ų66.650%0.50234%0.338SS..Hα-helixtrans-57.5-42.5172.4-73.8172.958.700112.4S132 Y133 L134 E139 K140S132-M136 WeakPolarHBondContact O-CG 3.36Å; S132-M136 PolarHBondContact O-N 2.76Å; Y133-M136 HydrophobicContact CD1-SD 4.17Å; Y133-M136 PolarHBondContact O-N 3.08Å; L134-M136 PolarHBondContact O-N 3.19Å; M136-E139 PolarHBondContact O-N 3.32Å; M136-K140 WeakPolarHBondContact O-CG 3.24Å; M136-K140 PolarHBondContact O-N 3.2Å
137I81.6Confident80.5Confident30 Ų3067.5 Ų67.515%0.15434%0.342CS..Hα-helixtrans-69.7-39.9179.5-63.1164.3000110.6Y133 L134 Q135 E139 K140 V141 T167 L170 L171 F174Y133-I137 VanDerWaalsContact O-CG1 3.28Å; Y133-I137 WeakPolarHBondContact O-CG1 3.42Å; Y133-I137 PolarHBondContact O-N 2.91Å; L134-I137 PolarHBondContact O-N 2.86Å; L134-I137 VanDerWaalsContact O-N 3.12Å; Q135-I137 VanDerWaalsContact C-N 3.32Å; Q135-I137 PolarHBondContact O-N 2.69Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.05Å; I137-K140 PolarHBondContact O-N 3.07Å; I137-V141 HydrophobicContact CG2-CG2 4.32Å; I137-V141 WeakPolarHBondContact O-CG2 3.38Å; I137-V141 PolarHBondContact O-N 3.35Å; I137-T167 HydrophobicContact CG2-CG2 3.8Å; I137-L170 HydrophobicContact CD1-CD2 4.19Å; I137-L170 HydrophobicContact CD1-CG 4.39Å; I137-L171 HydrophobicContact CB-CD2 3.97Å; I137-L171 HydrophobicContact CG2-CD2 3.52Å; I137-L171 HydrophobicContact CG2-CG 3.85Å; I137-F174 HydrophobicContact CD1-CD1 4.44Å; I137-F174 HydrophobicContact CD1-CD2 3.62Å; I137-F174 HydrophobicContact CD1-CE1 4.31Å; I137-F174 HydrophobicContact CD1-CE2 3.44Å; I137-F174 VanDerWaalsContact CD1-CE2 3.44Å; I137-F174 HydrophobicContact CD1-CG 4.14Å; I137-F174 HydrophobicContact CD1-CZ 3.82Å
138I77.2Confident81.2Confident14 Ų1466.8 Ų66.87%0.07234%0.34CS..Hα-helixtrans-57.5-46174.7-65.1160.6000110.8L134 Q135 K140 V141 K142 L171 R338L134-I138 HydrophobicContact CD1-CD1 4.16Å; L134-I138 HydrophobicContact CD1-CG1 4.23Å; L134-I138 HydrophobicContact CG-CD1 3.96Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.07Å; Q135-I138 PolarHBondContact O-N 3.38Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 3.4Å; I138-V141 PolarHBondContact O-N 3.15Å; I138-K142 HydrophobicContact CG2-CD 4.41Å; I138-K142 PolarHBondContact O-N 2.78Å; I138-L171 HydrophobicContact CG1-CD2 3.76Å; I138-R338 VanDerWaalsContact CD1-NH1 3.26Å
139E83.1Confident81.9Confident102 Ų10269.8 Ų69.848%0.47735%0.345SS..Hα-helixtrans-60.5-41.7178.4-164.3-142.3144.400111.7Q135 M136 I137 T143Q135-E139 PolarHBondContact O-N 2.87Å; M136-E139 PolarHBondContact O-N 3.32Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.05Å; E139-T143 WeakPolarHBondContact O-CB 3.34Å; E139-T143 PolarHBondContact O-N 3.36Å; E139-T143 PolarHBondContact O-OG1 3.03Å
140K86.7Confident82.3Confident115 Ų11570.3 Ų70.350%0.536%0.356SS..Hα-helixtrans-74.4-29.6177.5-58.4-41168.5-149.70113.3M136 I137 I138 L144M136-K140 WeakPolarHBondContact O-CG 3.24Å; M136-K140 PolarHBondContact O-N 3.2Å; I137-K140 PolarHBondContact O-N 3.07Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 3.4Å; K140-L144 VanDerWaalsContact O-CB 3.32Å; K140-L144 WeakPolarHBondContact O-CB 2.99Å; K140-L144 PolarHBondContact O-N 3.31Å
141V85.6Confident82.9Confident13 Ų1371.3 Ų71.38%0.07936%0.361CS..Hα-helixtrans-64.7-51.9170.3167.80000110.4I137 I138 T143 L144 E145 L164 T167 L171I137-V141 HydrophobicContact CG2-CG2 4.32Å; I137-V141 WeakPolarHBondContact O-CG2 3.38Å; I137-V141 PolarHBondContact O-N 3.35Å; I138-V141 PolarHBondContact O-N 3.15Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.4Å; V141-L144 CarbonylContact O-C 3.55Å; V141-L144 WeakPolarHBondContact O-CA 3.38Å; V141-L144 WeakPolarHBondContact O-CB 3.29Å; V141-L144 PolarHBondContact O-N 2.95Å; V141-E145 HydrophobicContact CG1-CG 4.22Å; V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 2.94Å; V141-L164 HydrophobicContact CG1-CD2 4.08Å; V141-T167 HydrophobicContact CG2-CG2 3.3Å; V141-L171 HydrophobicContact CB-CD1 4.42Å; V141-L171 HydrophobicContact CG1-CD1 4.4Å; V141-L171 HydrophobicContact CG2-CD1 3.92Å; V141-L171 HydrophobicContact CG2-CG 4.42Å
142K85.3Confident83.8Confident121 Ų12178.4 Ų78.453%0.52639%0.389SS..Hα-helixtrans-54.9-42.6174.9-71.3-177.9175.7-175.80112.5I138 L144 E145 T146I138-K142 HydrophobicContact CG2-CD 4.41Å; I138-K142 PolarHBondContact O-N 2.78Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.26Å; K142-E145 WeakPolarHBondContact CA-OE2 3.15Å; K142-E145 PolarHBondContact O-N 3.45Å; K142-T146 PolarHBondContact O-N 2.97Å; K142-T146 VanDerWaalsContact O-N 3.15Å; K142-T146 PolarHBondContact O-OG1 2.79Å
143T87.4Confident84.4Confident83 Ų8377.5 Ų77.551%0.50938%0.382SS..Hα-helixtrans-61-38.9175.1-54.30000112.2E139 V141 F147E139-T143 WeakPolarHBondContact O-CB 3.34Å; E139-T143 PolarHBondContact O-N 3.36Å; E139-T143 PolarHBondContact O-OG1 3.03Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.4Å; T143-F147 WeakPolarHBondContact O-CB 3.41Å; T143-F147 PolarHBondContact O-N 3.31Å; T143-F147 VanDerWaalsContact O-N 3.13Å
144L87.2Confident84.5Confident38 Ų3876.1 Ų76.120%0.19939%0.389CS..Hα-helixtrans-76.2-34.3-179.9-176.562.3000112.7K140 V141 K142 F147 G148 V160 I163 L164K140-L144 VanDerWaalsContact O-CB 3.32Å; K140-L144 WeakPolarHBondContact O-CB 2.99Å; K140-L144 PolarHBondContact O-N 3.31Å; V141-L144 CarbonylContact O-C 3.55Å; V141-L144 WeakPolarHBondContact O-CA 3.38Å; V141-L144 WeakPolarHBondContact O-CB 3.29Å; V141-L144 PolarHBondContact O-N 2.95Å; K142-L144 VanDerWaalsContact C-N 3.31Å; K142-L144 PolarHBondContact O-N 3.26Å; L144-F147 HydrophobicContact CD1-CD1 4.16Å; L144-F147 PolarHBondContact O-N 3.3Å; L144-G148 PolarHBondContact O-N 3.16Å; L144-V160 HydrophobicContact CD1-CG1 3.84Å; L144-V160 HydrophobicContact CD1-CG2 4.31Å; L144-V160 HydrophobicContact CG-CG1 3.91Å; L144-I163 HydrophobicContact CD2-CB 4.13Å; L144-I163 HydrophobicContact CD2-CG2 3.51Å; L144-L164 HydrophobicContact CB-CD2 4.06Å; L144-L164 HydrophobicContact CD2-CD2 3.75Å; L144-L164 HydrophobicContact CD2-CG 3.95Å; L144-L164 HydrophobicContact CG-CD2 3.87Å; L144-L164 HydrophobicContact CG-CG 4.12Å
145E87Confident85Confident92 Ų9278.3 Ų78.343%0.4341%0.408SS..Hα-helixtrans-60.9-55.2173.3-69.8167.6152.100110.2V141 K142 F147 G148 E149 L164V141-E145 HydrophobicContact CG1-CG 4.22Å; V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 2.94Å; K142-E145 WeakPolarHBondContact CA-OE2 3.15Å; K142-E145 PolarHBondContact O-N 3.45Å; E145-F147 VanDerWaalsContact C-N 3.25Å; E145-F147 PolarHBondContact O-N 3.33Å; E145-G148 WeakPolarHBondContact O-CA 3.05Å; E145-G148 PolarHBondContact O-N 3.19Å; E145-E149 PolarHBondContact O-N 3.42Å; E145-L164 HydrophobicContact CG-CD1 4.05Å; E145-L164 HydrophobicContact CG-CD2 3.62Å
146T88.3Confident85.6Confident91 Ų9177.2 Ų77.256%0.55840%0.404SS*.Hα-helixtrans-60.4-33.6175.9-52.50000112.5K142 S150K142-T146 PolarHBondContact O-N 2.97Å; K142-T146 VanDerWaalsContact O-N 3.15Å; K142-T146 PolarHBondContact O-OG1 2.79Å; T146-S150 PolarHBondContact O-N 2.88Å
147F88.6Confident85.7Confident106 Ų10675.6 Ų75.647%0.46540%0.395SS..Hα-helixtrans-65.1-46.8171.6177.4-104000111.7T143 L144 E145 E149 S150 L151 V160T143-F147 WeakPolarHBondContact O-CB 3.41Å; T143-F147 PolarHBondContact O-N 3.31Å; T143-F147 VanDerWaalsContact O-N 3.13Å; L144-F147 HydrophobicContact CD1-CD1 4.16Å; L144-F147 PolarHBondContact O-N 3.3Å; E145-F147 VanDerWaalsContact C-N 3.25Å; E145-F147 PolarHBondContact O-N 3.33Å; F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 PolarHBondContact O-N 3.25Å; F147-S150 WeakPolarHBondContact O-CB 3.1Å; F147-S150 PolarHBondContact O-N 3.04Å; F147-S150 VanDerWaalsContact O-N 3.11Å; F147-S150 PolarHBondContact O-OG 3.07Å; F147-L151 HydrophobicContact CD1-CD1 4.5Å; F147-L151 HydrophobicContact CE1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 4.31Å; F147-L151 HydrophobicContact CE2-CD2 4.4Å; F147-L151 HydrophobicContact CZ-CD2 3.89Å; F147-L151 HydrophobicContact CZ-CG 4.48Å; F147-L151 PolarHBondContact O-N 3.27Å; F147-V160 HydrophobicContact CD1-CG2 4Å; F147-V160 HydrophobicContact CE1-CG2 4Å
148G87Confident85.9Confident5 Ų579.7 Ų79.75%0.05241%0.413CS..Hα-helixtrans-58.6-40.8176.900000113L144 E145 S150 L151 K157L144-G148 PolarHBondContact O-N 3.16Å; E145-G148 WeakPolarHBondContact O-CA 3.05Å; E145-G148 PolarHBondContact O-N 3.19Å; G148-S150 PolarHBondContact O-N 3.06Å; G148-L151 PolarHBondContact O-N 3.12Å; G148-K157 PolarHBondContact O-NZ 3.42Å
149E84.2Confident86.4Confident143 Ų14384.7 Ų84.767%0.66843%0.434SS*.Hα-helixtrans-57.2-46.9172.2-69.9-179.5145.100111.9E145 F147 L151 K157E145-E149 PolarHBondContact O-N 3.42Å; F147-E149 VanDerWaalsContact C-N 3.33Å; F147-E149 PolarHBondContact O-N 3.25Å; E149-L151 VanDerWaalsContact C-N 3.25Å; E149-L151 PolarHBondContact O-N 2.97Å; E149-K157 PolarHBondContact O-NZ 2.83Å
150S86.5Confident86.7Confident80 Ų8080.2 Ų80.256%0.55941%0.414SS*.Hα-helixtrans-66-19.5-176.981.70000115.2T146 F147 G148T146-S150 PolarHBondContact O-N 2.88Å; F147-S150 WeakPolarHBondContact O-CB 3.1Å; F147-S150 PolarHBondContact O-N 3.04Å; F147-S150 VanDerWaalsContact O-N 3.11Å; F147-S150 PolarHBondContact O-OG 3.07Å; G148-S150 PolarHBondContact O-N 3.06Å
151L87.6Confident86.7Confident37 Ų3779 Ų7919%0.19441%0.412CS..  trans-66.6146180-68.4176.5000112.2F147 G148 E149 D156 K157 V160F147-L151 HydrophobicContact CD1-CD1 4.5Å; F147-L151 HydrophobicContact CE1-CD1 4.1Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 4.31Å; F147-L151 HydrophobicContact CE2-CD2 4.4Å; F147-L151 HydrophobicContact CZ-CD2 3.89Å; F147-L151 HydrophobicContact CZ-CG 4.48Å; F147-L151 PolarHBondContact O-N 3.27Å; G148-L151 PolarHBondContact O-N 3.12Å; E149-L151 VanDerWaalsContact C-N 3.25Å; E149-L151 PolarHBondContact O-N 2.97Å; L151-D156 HydrophobicContact CD1-CB 3.98Å; L151-D156 WeakPolarHBondContact CD1-O 3.25Å; L151-K157 HydrophobicContact CB-CG 3.9Å; L151-K157 HydrophobicContact CD1-CG 4.45Å; L151-K157 WeakPolarHBondContact O-CE 3.39Å; L151-K157 PolarHBondContact O-NZ 2.85Å; L151-V160 HydrophobicContact CD1-CB 4.47Å; L151-V160 HydrophobicContact CD1-CG2 3.71Å
152K85.9Confident86.8Confident212 Ų21283.3 Ų83.392%0.92243%0.432SS*.  trans-107.4-7.2177.6-64.4-179.2-179.31790114.1
153S87.6Confident87Confident46 Ų4681.5 Ų81.532%0.32243%0.427SS..  trans-106.4123.3-174.81690000109.9A155 D156 K157S153-A155 VanDerWaalsContact C-N 3.32Å; S153-A155 PolarHBondContact O-N 2.86Å; S153-D156 WeakPolarHBondContact CB-OD2 3.48Å; S153-D156 PolarHBondContact O-N 3.2Å; S153-D156 VanDerWaalsContact O-N 3.12Å; S153-D156 PolarHBondContact OG-OD2 3.43Å; S153-K157 PolarHBondContact O-N 3.15Å
154S84Confident87.1Confident81 Ų8179.1 Ų79.157%0.56641%0.411SS*.Hα-helixtrans-57.3-47.3178.2-164.80000111.1D156 K157 E158S154-D156 PolarHBondContact O-N 3.08Å; S154-D156 VanDerWaalsContact O-N 3.07Å; S154-K157 PolarHBondContact O-N 2.67Å; S154-K157 VanDerWaalsContact O-N 3.1Å; S154-E158 WeakPolarHBondContact O-CG 3.5Å; S154-E158 PolarHBondContact O-N 2.65Å; S154-E158 PolarHBondContact OG-OE1 2.92Å
155A86.1Confident87Confident50 Ų5082.8 Ų82.841%0.41343%0.427SS..Hα-helixtrans-67.5-9.1-179.600000114.1S153 K159S153-A155 VanDerWaalsContact C-N 3.32Å; S153-A155 PolarHBondContact O-N 2.86Å; A155-K159 VanDerWaalsContact O-CD 3.3Å; A155-K159 WeakPolarHBondContact O-CD 3.42Å; A155-K159 WeakPolarHBondContact O-CE 3.38Å; A155-K159 WeakPolarHBondContact O-CG 3.28Å; A155-K159 PolarHBondContact O-NZ 3.43Å
156D87.6Confident87Confident60 Ų6082.8 Ų82.832%0.32143%0.429SS..Hα-helixtrans-103.1-29.6171.5-60.1-59.7000112.1L151 S153 S154 K159 V160L151-D156 HydrophobicContact CD1-CB 3.98Å; L151-D156 WeakPolarHBondContact CD1-O 3.25Å; S153-D156 WeakPolarHBondContact CB-OD2 3.48Å; S153-D156 PolarHBondContact O-N 3.2Å; S153-D156 VanDerWaalsContact O-N 3.12Å; S153-D156 PolarHBondContact OG-OD2 3.43Å; S154-D156 PolarHBondContact O-N 3.08Å; S154-D156 VanDerWaalsContact O-N 3.07Å; D156-K159 PolarHBondContact O-N 3.41Å; D156-K159 IonicContact OD1-NZ 2.77Å; D156-K159 PolarHBondContact OD1-NZ 2.7Å; D156-V160 PolarHBondContact O-N 3.24Å; D156-V160 VanDerWaalsContact O-N 3.15Å
157K84.8Confident86.9Confident69 Ų6979.8 Ų79.830%0.341%0.411SS..Hα-helixtrans-60.6-51.2165.2-73.1-172.1-175.1-87.80110.8G148 E149 L151 S153 S154 K159 V160 D161G148-K157 PolarHBondContact O-NZ 3.42Å; E149-K157 PolarHBondContact O-NZ 2.83Å; L151-K157 HydrophobicContact CB-CG 3.9Å; L151-K157 HydrophobicContact CD1-CG 4.45Å; L151-K157 WeakPolarHBondContact O-CE 3.39Å; L151-K157 PolarHBondContact O-NZ 2.85Å; S153-K157 PolarHBondContact O-N 3.15Å; S154-K157 PolarHBondContact O-N 2.67Å; S154-K157 VanDerWaalsContact O-N 3.1Å; K157-K159 PolarHBondContact O-N 2.98Å; K157-V160 CarbonylContact O-C 3.55Å; K157-V160 WeakPolarHBondContact O-CA 3.45Å; K157-V160 PolarHBondContact O-N 2.69Å; K157-D161 PolarHBondContact O-N 2.88Å
158E86Confident86.4Confident116 Ų11676 Ų7654%0.54240%0.401SS..Hα-helixtrans-53.2-33.5178-71.3158.3-140.700113.3S154 H162S154-E158 WeakPolarHBondContact O-CG 3.5Å; S154-E158 PolarHBondContact O-N 2.65Å; S154-E158 PolarHBondContact OG-OE1 2.92Å; E158-H162 WeakPolarHBondContact O-CB 3.36Å; E158-H162 PolarHBondContact O-N 3.41Å
159K88.5Confident86.3Confident119 Ų11980.8 Ų80.852%0.51743%0.425SS..Hα-helixtrans-72-43.9173.7-65.8167.4-165.3149.70112A155 D156 K157 H162 I163A155-K159 VanDerWaalsContact O-CD 3.3Å; A155-K159 WeakPolarHBondContact O-CD 3.42Å; A155-K159 WeakPolarHBondContact O-CE 3.38Å; A155-K159 WeakPolarHBondContact O-CG 3.28Å; A155-K159 PolarHBondContact O-NZ 3.43Å; D156-K159 PolarHBondContact O-N 3.41Å; D156-K159 IonicContact OD1-NZ 2.77Å; D156-K159 PolarHBondContact OD1-NZ 2.7Å; K157-K159 PolarHBondContact O-N 2.98Å; K159-H162 PolarHBondContact O-N 3.25Å; K159-I163 WeakPolarHBondContact O-CD1 3.47Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.29Å; K159-I163 PolarHBondContact O-N 2.66Å
160V88.7Confident86.2Confident8 Ų877.7 Ų77.75%0.04841%0.412CS..Hα-helixtrans-65.2-43.3176.7170.70000110.6L144 F147 L151 D156 K157 H162 I163 L164L144-V160 HydrophobicContact CD1-CG1 3.84Å; L144-V160 HydrophobicContact CD1-CG2 4.31Å; L144-V160 HydrophobicContact CG-CG1 3.91Å; F147-V160 HydrophobicContact CD1-CG2 4Å; F147-V160 HydrophobicContact CE1-CG2 4Å; L151-V160 HydrophobicContact CD1-CB 4.47Å; L151-V160 HydrophobicContact CD1-CG2 3.71Å; D156-V160 PolarHBondContact O-N 3.24Å; D156-V160 VanDerWaalsContact O-N 3.15Å; K157-V160 CarbonylContact O-C 3.55Å; K157-V160 WeakPolarHBondContact O-CA 3.45Å; K157-V160 PolarHBondContact O-N 2.69Å; V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.03Å; V160-I163 CarbonylContact O-C 3.52Å; V160-I163 PolarHBondContact O-N 2.69Å; V160-I163 VanDerWaalsContact O-N 3.07Å; V160-L164 HydrophobicContact CG1-CD1 3.84Å; V160-L164 HydrophobicContact CG1-CG 4.24Å; V160-L164 WeakPolarHBondContact O-CB 3.08Å; V160-L164 WeakPolarHBondContact O-CG 3.21Å; V160-L164 PolarHBondContact O-N 2.82Å
161D86.4Confident85.8Confident88 Ų8874.7 Ų74.747%0.47139%0.39SS..Hα-helixtrans-58.7-42177.2-59.2-28.7000111.3K157 L164 E165K157-D161 PolarHBondContact O-N 2.88Å; D161-L164 PolarHBondContact O-N 2.64Å; D161-E165 PolarHBondContact O-N 2.74Å
162H89.2Confident85Confident104 Ų10476.7 Ų76.748%0.48140%0.401SS..Hα-helixtrans-71.1-31.8174.9-172.349.5000113.4E158 K159 V160 E165 I166E158-H162 WeakPolarHBondContact O-CB 3.36Å; E158-H162 PolarHBondContact O-N 3.41Å; K159-H162 PolarHBondContact O-N 3.25Å; V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.03Å; H162-E165 IonicContact CE1-OE2 3.32Å; H162-E165 PolarHBondContact CE1-OE2 2.86Å; H162-E165 IonicContact CG-OE2 2.96Å; H162-E165 IonicContact ND1-OE2 3.84Å; H162-E165 PolarHBondContact ND1-OE2 2.88Å; H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.11Å; H162-I166 VanDerWaalsContact O-N 3.07Å
163I89.5Confident84.6Confident83 Ų8368.3 Ų68.343%0.42637%0.369SS..Hα-helixtrans-69.3-37.8171.2-64.1161.7000110.2L144 K159 V160 I166 T167L144-I163 HydrophobicContact CD2-CB 4.13Å; L144-I163 HydrophobicContact CD2-CG2 3.51Å; K159-I163 WeakPolarHBondContact O-CD1 3.47Å; K159-I163 VanDerWaalsContact O-CG1 3.25Å; K159-I163 WeakPolarHBondContact O-CG1 3.29Å; K159-I163 PolarHBondContact O-N 2.66Å; V160-I163 CarbonylContact O-C 3.52Å; V160-I163 PolarHBondContact O-N 2.69Å; V160-I163 VanDerWaalsContact O-N 3.07Å; I163-I166 PolarHBondContact O-N 3.19Å; I163-T167 WeakPolarHBondContact O-CB 3.3Å; I163-T167 PolarHBondContact O-N 2.97Å; I163-T167 PolarHBondContact O-OG1 3.14Å
164L88.1Confident84Confident34 Ų3468.5 Ų68.518%0.17836%0.364CS..Hα-helixtrans-64.8-42174.5-72.6168.5000111.2V141 L144 E145 V160 D161 T167 G168V141-L164 HydrophobicContact CG1-CD2 4.08Å; L144-L164 HydrophobicContact CB-CD2 4.06Å; L144-L164 HydrophobicContact CD2-CD2 3.75Å; L144-L164 HydrophobicContact CD2-CG 3.95Å; L144-L164 HydrophobicContact CG-CD2 3.87Å; L144-L164 HydrophobicContact CG-CG 4.12Å; E145-L164 HydrophobicContact CG-CD1 4.05Å; E145-L164 HydrophobicContact CG-CD2 3.62Å; V160-L164 HydrophobicContact CG1-CD1 3.84Å; V160-L164 HydrophobicContact CG1-CG 4.24Å; V160-L164 WeakPolarHBondContact O-CB 3.08Å; V160-L164 WeakPolarHBondContact O-CG 3.21Å; V160-L164 PolarHBondContact O-N 2.82Å; D161-L164 PolarHBondContact O-N 2.64Å; L164-T167 CarbonylContact O-C 3.52Å; L164-T167 PolarHBondContact O-N 2.96Å; L164-G168 PolarHBondContact O-N 3.5Å
165E85.7Confident83.3Confident115 Ų11566.5 Ų66.554%0.53735%0.345SS..Hα-helixtrans-55.2-53.2171.5179.9-173.3-155.400111.6D161 H162 T167 G168 I169D161-E165 PolarHBondContact O-N 2.74Å; H162-E165 IonicContact CE1-OE2 3.32Å; H162-E165 PolarHBondContact CE1-OE2 2.86Å; H162-E165 IonicContact CG-OE2 2.96Å; H162-E165 IonicContact ND1-OE2 3.84Å; H162-E165 PolarHBondContact ND1-OE2 2.88Å; E165-T167 VanDerWaalsContact C-N 3.3Å; E165-T167 PolarHBondContact O-N 2.85Å; E165-G168 PolarHBondContact O-N 2.81Å; E165-I169 WeakPolarHBondContact O-CG1 3.33Å; E165-I169 PolarHBondContact O-N 3.11Å; E165-I169 VanDerWaalsContact O-N 3.11Å
166I87.3Confident82.7Confident91 Ų9166.9 Ų66.947%0.46734%0.338SS..Hα-helixtrans-62.2-38.2178.5-68.2167.7000111.4H162 I163 I169 L170H162-I166 WeakPolarHBondContact O-CG1 3.48Å; H162-I166 PolarHBondContact O-N 3.11Å; H162-I166 VanDerWaalsContact O-N 3.07Å; I163-I166 PolarHBondContact O-N 3.19Å; I166-I169 PolarHBondContact O-N 2.82Å; I166-L170 PolarHBondContact O-N 2.89Å
167T85.1Confident82.1Confident28 Ų2866.3 Ų66.317%0.17234%0.339CS..Hα-helixtrans-76.2-26.7-179.9-46.10000111.9I137 V141 I163 L164 E165 L170 L171I137-T167 HydrophobicContact CG2-CG2 3.8Å; V141-T167 HydrophobicContact CG2-CG2 3.3Å; I163-T167 WeakPolarHBondContact O-CB 3.3Å; I163-T167 PolarHBondContact O-N 2.97Å; I163-T167 PolarHBondContact O-OG1 3.14Å; L164-T167 CarbonylContact O-C 3.52Å; L164-T167 PolarHBondContact O-N 2.96Å; E165-T167 VanDerWaalsContact C-N 3.3Å; E165-T167 PolarHBondContact O-N 2.85Å; T167-L170 WeakPolarHBondContact O-CB 3.2Å; T167-L170 PolarHBondContact O-N 3.41Å; T167-L171 WeakPolarHBondContact O-CB 3.42Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 2.82Å
168G79.4Confident81.4Confident26 Ų2663.6 Ų63.627%0.26833%0.327SS..Hα-helixtrans-62.5-46.5167.500000112L164 E165 L170 L171 D172L164-G168 PolarHBondContact O-N 3.5Å; E165-G168 PolarHBondContact O-N 2.81Å; G168-L170 VanDerWaalsContact C-N 3.27Å; G168-L170 PolarHBondContact O-N 2.78Å; G168-L171 WeakPolarHBondContact O-CB 3.33Å; G168-L171 PolarHBondContact O-N 2.89Å; G168-D172 PolarHBondContact O-N 3.36Å
169I83.9Confident80.5Confident107 Ų10760.1 Ų60.155%0.54931%0.314SS..Hα-helixtrans-59.7-39.4173.1-62.3166.6000110.8E165 I166 S173E165-I169 WeakPolarHBondContact O-CG1 3.33Å; E165-I169 PolarHBondContact O-N 3.11Å; E165-I169 VanDerWaalsContact O-N 3.11Å; I166-I169 PolarHBondContact O-N 2.82Å; I169-S173 PolarHBondContact O-N 3.23Å
170L82.6Confident79.8Confident78 Ų7858.9 Ų58.941%0.40831%0.313SS..Hα-helixtrans-65.6-47.7175.4-173.264.2000112I137 I166 T167 G168 D172 S173 F174I137-L170 HydrophobicContact CD1-CD2 4.19Å; I137-L170 HydrophobicContact CD1-CG 4.39Å; I166-L170 PolarHBondContact O-N 2.89Å; T167-L170 WeakPolarHBondContact O-CB 3.2Å; T167-L170 PolarHBondContact O-N 3.41Å; G168-L170 VanDerWaalsContact C-N 3.27Å; G168-L170 PolarHBondContact O-N 2.78Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-D172 PolarHBondContact O-N 2.9Å; L170-S173 WeakPolarHBondContact O-CB 3.39Å; L170-S173 PolarHBondContact O-N 2.71Å; L170-S173 VanDerWaalsContact O-N 3.11Å; L170-F174 HydrophobicContact CD1-CD2 4.11Å; L170-F174 HydrophobicContact CD1-CE2 3.9Å; L170-F174 HydrophobicContact CG-CD2 4.13Å; L170-F174 HydrophobicContact CG-CE2 4.13Å; L170-F174 WeakPolarHBondContact O-CD2 3.15Å; L170-F174 PolarHBondContact O-N 2.91Å
171L78.5Confident78.9Confident17 Ų1760.2 Ų60.29%0.08932%0.32CS..Hα-helixtrans-54-47.6174.9-81.8175.9000111.2L134 I137 I138 V141 T167 G168 S173 F174 K175L134-L171 HydrophobicContact CD1-CD2 3.47Å; L134-L171 VanDerWaalsContact CD1-CD2 3.47Å; I137-L171 HydrophobicContact CB-CD2 3.97Å; I137-L171 HydrophobicContact CG2-CD2 3.52Å; I137-L171 HydrophobicContact CG2-CG 3.85Å; I138-L171 HydrophobicContact CG1-CD2 3.76Å; V141-L171 HydrophobicContact CB-CD1 4.42Å; V141-L171 HydrophobicContact CG1-CD1 4.4Å; V141-L171 HydrophobicContact CG2-CD1 3.92Å; V141-L171 HydrophobicContact CG2-CG 4.42Å; T167-L171 WeakPolarHBondContact O-CB 3.42Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 2.82Å; G168-L171 WeakPolarHBondContact O-CB 3.33Å; G168-L171 PolarHBondContact O-N 2.89Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 3.38Å; L171-F174 PolarHBondContact O-N 2.97Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 3.42Å
172D71.2Confident77.9Confident78 Ų7857.2 Ų57.242%0.41730%0.303SS..Hα-helixtrans-65.8-32.7179.1-73.2-14.5000112.4G168 L170 K175 H176G168-D172 PolarHBondContact O-N 3.36Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-D172 PolarHBondContact O-N 2.9Å; D172-K175 PolarHBondContact O-N 3.11Å; D172-K175 WeakPolarHBondContact OD1-CD 3.45Å; D172-K175 WeakPolarHBondContact OD1-CE 3.37Å; D172-K175 IonicContact OD1-NZ 3.92Å; D172-K175 PolarHBondContact OD1-NZ 2.67Å; D172-H176 VanDerWaalsContact O-CB 3.27Å; D172-H176 WeakPolarHBondContact O-CB 3.38Å; D172-H176 PolarHBondContact O-N 3.23Å
173S77Confident76.7Confident36 Ų3655.9 Ų55.925%0.25229%0.294SS..Hα-helixtrans-69.3-35.6172.9-168.20000113.4Q70 I169 L170 L171 S177Q70-S173 VanDerWaalsContact NE2-CA 3.35Å; Q70-S173 PolarHBondContact NE2-OG 3.04Å; I169-S173 PolarHBondContact O-N 3.23Å; L170-S173 WeakPolarHBondContact O-CB 3.39Å; L170-S173 PolarHBondContact O-N 2.71Å; L170-S173 VanDerWaalsContact O-N 3.11Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 3.38Å; S173-S177 WeakPolarHBondContact O-CB 3.3Å; S173-S177 PolarHBondContact O-N 3.28Å; S173-S177 PolarHBondContact O-OG 3.46Å
174F73.9Confident75.5Confident50 Ų5052.7 Ų52.722%0.21928%0.28CS..Hα-helixtrans-67-48.7170.4-90.1-94000111.6V130 Y133 L134 I137 L170 L171 H176 S177 I178V130-F174 HydrophobicContact CG1-CD1 3.74Å; V130-F174 HydrophobicContact CG1-CE1 4.21Å; Y133-F174 HydrophobicContact CD2-CE1 4.31Å; Y133-F174 HydrophobicContact CG-CE1 4.36Å; L134-F174 HydrophobicContact CB-CB 4.36Å; L134-F174 HydrophobicContact CD1-CB 3.99Å; I137-F174 HydrophobicContact CD1-CD1 4.44Å; I137-F174 HydrophobicContact CD1-CD2 3.62Å; I137-F174 HydrophobicContact CD1-CE1 4.31Å; I137-F174 HydrophobicContact CD1-CE2 3.44Å; I137-F174 VanDerWaalsContact CD1-CE2 3.44Å; I137-F174 HydrophobicContact CD1-CG 4.14Å; I137-F174 HydrophobicContact CD1-CZ 3.82Å; L170-F174 HydrophobicContact CD1-CD2 4.11Å; L170-F174 HydrophobicContact CD1-CE2 3.9Å; L170-F174 HydrophobicContact CG-CD2 4.13Å; L170-F174 HydrophobicContact CG-CE2 4.13Å; L170-F174 WeakPolarHBondContact O-CD2 3.15Å; L170-F174 PolarHBondContact O-N 2.91Å; L171-F174 PolarHBondContact O-N 2.97Å; F174-H176 VanDerWaalsContact C-N 3.32Å; F174-H176 PolarHBondContact O-N 2.85Å; F174-S177 WeakPolarHBondContact O-CB 3.19Å; F174-S177 PolarHBondContact O-N 2.85Å; F174-S177 VanDerWaalsContact O-N 3.11Å; F174-I178 WeakPolarHBondContact O-CG1 3.04Å; F174-I178 PolarHBondContact O-N 3.42Å
175K70.6Confident74.4Confident40 Ų4053.5 Ų53.517%0.17428%0.282CS..Hα-helixtrans-52.9-48.8173.5-66.9171-157.5165.70111.3L134 L171 D172 S177 I178 V179L134-K175 HydrophobicContact CD1-CG 4.43Å; L134-K175 HydrophobicContact CD2-CG 4.13Å; L171-K175 WeakPolarHBondContact O-CG 3.41Å; L171-K175 PolarHBondContact O-N 3.42Å; D172-K175 PolarHBondContact O-N 3.11Å; D172-K175 WeakPolarHBondContact OD1-CD 3.45Å; D172-K175 WeakPolarHBondContact OD1-CE 3.37Å; D172-K175 IonicContact OD1-NZ 3.92Å; D172-K175 PolarHBondContact OD1-NZ 2.67Å; K175-S177 VanDerWaalsContact C-N 3.31Å; K175-S177 PolarHBondContact O-N 3.48Å; K175-I178 PolarHBondContact O-N 2.85Å; K175-V179 WeakPolarHBondContact O-CG2 3.31Å; K175-V179 PolarHBondContact O-N 2.87Å
176H72Confident73.1Confident58 Ų5851.7 Ų51.727%0.26928%0.276SS..Hα-helixtrans-63.7-36.9179.6-169.173000112.2Q70 D172 F174 V179 L180Q70-H176 HydrophobicContact CG-CB 4.16Å; D172-H176 VanDerWaalsContact O-CB 3.27Å; D172-H176 WeakPolarHBondContact O-CB 3.38Å; D172-H176 PolarHBondContact O-N 3.23Å; F174-H176 VanDerWaalsContact C-N 3.32Å; F174-H176 PolarHBondContact O-N 2.85Å; H176-V179 PolarHBondContact O-N 3.26Å; H176-L180 WeakPolarHBondContact O-CB 3.31Å; H176-L180 VanDerWaalsContact O-CG 3.26Å; H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 2.77Å
177S75.3Confident71.7Confident48 Ų4848.1 Ų48.134%0.33626%0.257SS..Hα-helixtrans-67.6-37.7175.9-63.60000112.2S173 F174 K175 L180 L181S173-S177 WeakPolarHBondContact O-CB 3.3Å; S173-S177 PolarHBondContact O-N 3.28Å; S173-S177 PolarHBondContact O-OG 3.46Å; F174-S177 WeakPolarHBondContact O-CB 3.19Å; F174-S177 PolarHBondContact O-N 2.85Å; F174-S177 VanDerWaalsContact O-N 3.11Å; K175-S177 VanDerWaalsContact C-N 3.31Å; K175-S177 PolarHBondContact O-N 3.48Å; S177-L180 PolarHBondContact O-N 3.35Å; S177-L181 WeakPolarHBondContact O-CB 3.27Å; S177-L181 VanDerWaalsContact O-CG 3.27Å; S177-L181 WeakPolarHBondContact O-CG 3.18Å; S177-L181 PolarHBondContact O-N 3.46Å
178I71.5Confident70.5Confident11 Ų1147.1 Ų47.16%0.05625%0.251CS..Hα-helixtrans-64.6-48.9172.9-69.7173.6000110.5V130 D131 L134 F174 K175 L180 L181 Q182V130-I178 HydrophobicContact CB-CG1 4.11Å; V130-I178 HydrophobicContact CG1-CD1 4.13Å; V130-I178 HydrophobicContact CG1-CG1 3.57Å; D131-I178 HydrophobicContact CB-CD1 4.07Å; L134-I178 HydrophobicContact CB-CD1 4Å; L134-I178 HydrophobicContact CD2-CD1 3.52Å; L134-I178 HydrophobicContact CG-CD1 4.4Å; F174-I178 WeakPolarHBondContact O-CG1 3.04Å; F174-I178 PolarHBondContact O-N 3.42Å; K175-I178 PolarHBondContact O-N 2.85Å; I178-L180 VanDerWaalsContact C-N 3.32Å; I178-L180 PolarHBondContact O-N 3.33Å; I178-L181 PolarHBondContact O-N 2.87Å; I178-L181 VanDerWaalsContact O-N 3.12Å; I178-Q182 HydrophobicContact CG2-CG 4.24Å; I178-Q182 VanDerWaalsContact CG2-OE1 3.29Å; I178-Q182 WeakPolarHBondContact O-CB 3.37Å; I178-Q182 VanDerWaalsContact O-CG 3.26Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 2.82Å; I178-Q182 PolarHBondContact O-OE1 3.43Å
179V65.5Low69.1Low44 Ų4450.3 Ų50.327%0.26726%0.261SS..Hα-helixtrans-58-42.2175.2171.40000111.8K175 H176 Q182 Y183 V345K175-V179 WeakPolarHBondContact O-CG2 3.31Å; K175-V179 PolarHBondContact O-N 2.87Å; H176-V179 PolarHBondContact O-N 3.26Å; V179-Q182 PolarHBondContact O-N 3.2Å; V179-Y183 WeakPolarHBondContact O-CB 3.2Å; V179-Y183 PolarHBondContact O-N 3.15Å; V179-V345 HydrophobicContact CG1-CG1 4.22Å; V179-V345 HydrophobicContact CG1-CG2 4.02Å; V179-V345 HydrophobicContact CG2-CG2 4.35Å
180L73.5Confident67.1Low92 Ų9247.9 Ų47.948%0.48225%0.252SS..Hα-helixtrans-65.7-38.7176-74.2173.6000112.8H176 S177 I178 A184H176-L180 WeakPolarHBondContact O-CB 3.31Å; H176-L180 VanDerWaalsContact O-CG 3.26Å; H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 2.77Å; S177-L180 PolarHBondContact O-N 3.35Å; I178-L180 VanDerWaalsContact C-N 3.32Å; I178-L180 PolarHBondContact O-N 3.33Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.04Å
181L71.2Confident65Low37 Ų3749.6 Ų49.619%0.19427%0.27CS..Hα-helixtrans-68.5-40.7175.9-75.9170.6000112F123 K126 I127 V130 S177 I178 A184 K185F123-L181 HydrophobicContact CD1-CD2 4.31Å; F123-L181 WeakPolarHBondContact CD1-O 3.25Å; F123-L181 HydrophobicContact CE1-CD2 3.86Å; F123-L181 WeakPolarHBondContact CE1-O 3.42Å; K126-L181 HydrophobicContact CG-CD1 4.24Å; K126-L181 HydrophobicContact CG-CD2 4.43Å; I127-L181 HydrophobicContact CD1-CB 4.41Å; I127-L181 HydrophobicContact CG1-CB 3.72Å; I127-L181 HydrophobicContact CG1-CD1 4.48Å; V130-L181 HydrophobicContact CB-CD1 4.32Å; V130-L181 HydrophobicContact CG2-CD1 3.91Å; S177-L181 WeakPolarHBondContact O-CB 3.27Å; S177-L181 VanDerWaalsContact O-CG 3.27Å; S177-L181 WeakPolarHBondContact O-CG 3.18Å; S177-L181 PolarHBondContact O-N 3.46Å; I178-L181 PolarHBondContact O-N 2.87Å; I178-L181 VanDerWaalsContact O-N 3.12Å; L181-A184 CarbonylContact O-C 3.59Å; L181-A184 PolarHBondContact O-N 3.22Å; L181-K185 PolarHBondContact O-N 3.09Å
182Q64.4Low62.8Low25 Ų2554.3 Ų54.312%0.11730%0.3CS..Hα-helixtrans-73.9-40.7179.6-65.3161.6-33.800111.9I127 I178 V179 A184 K185 N186 N342I127-Q182 HydrophobicContact CD1-CG 3.89Å; I127-Q182 HydrophobicContact CG1-CG 4.18Å; I127-Q182 HydrophobicContact CG2-CG 4.12Å; I178-Q182 HydrophobicContact CG2-CG 4.24Å; I178-Q182 VanDerWaalsContact CG2-OE1 3.29Å; I178-Q182 WeakPolarHBondContact O-CB 3.37Å; I178-Q182 VanDerWaalsContact O-CG 3.26Å; I178-Q182 WeakPolarHBondContact O-CG 3.41Å; I178-Q182 PolarHBondContact O-N 2.82Å; I178-Q182 PolarHBondContact O-OE1 3.43Å; V179-Q182 PolarHBondContact O-N 3.2Å; Q182-A184 PolarHBondContact O-N 3.43Å; Q182-K185 WeakPolarHBondContact O-CA 3.38Å; Q182-K185 WeakPolarHBondContact O-CB 3.37Å; Q182-K185 PolarHBondContact O-N 2.88Å; Q182-N186 PolarHBondContact O-N 3.04Å; Q182-N186 PolarHBondContact O-OD1 3.37Å; Q182-N342 WeakPolarHBondContact CB-OD1 3.31Å; Q182-N342 WeakPolarHBondContact CG-OD1 3.37Å; Q182-N342 PolarHBondContact NE2-ND2 2.82Å; Q182-N342 PolarHBondContact OE1-OD1 3.41Å
183Y63.6Low60.8Low76 Ų7659.3 Ų59.330%0.29832%0.321SS..Hα-helixtrans-55.3-42167.8179.6-89.3000110.8Y101 V179 N186 Q187Y101-Y183 HydrophobicContact CD1-CE1 4.1Å; Y101-Y183 HydrophobicContact CE1-CE1 4.06Å; V179-Y183 WeakPolarHBondContact O-CB 3.2Å; V179-Y183 PolarHBondContact O-N 3.15Å; Y183-N186 PolarHBondContact O-N 2.74Å; Y183-Q187 HydrophobicContact CD1-CG 4.21Å; Y183-Q187 HydrophobicContact CE1-CG 4.12Å; Y183-Q187 VanDerWaalsContact CE1-NE2 3.33Å; Y183-Q187 VanDerWaalsContact CZ-NE2 3.26Å; Y183-Q187 WeakPolarHBondContact O-CG 3.47Å; Y183-Q187 PolarHBondContact O-N 2.86Å; Y183-Q187 VanDerWaalsContact O-N 3.1Å; Y183-Q187 PolarHBondContact OH-NE2 3.27Å
184A64.8Low58.5Low16 Ų1661.5 Ų61.513%0.13235%0.349CS..Hα-helixtrans-70.3-31.7174.700000113.9F123 L180 L181 Q182 I188F123-A184 HydrophobicContact CE1-CB 3.56Å; F123-A184 HydrophobicContact CZ-CB 3.77Å; L180-A184 VanDerWaalsContact O-CB 3.28Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.04Å; L181-A184 CarbonylContact O-C 3.59Å; L181-A184 PolarHBondContact O-N 3.22Å; Q182-A184 PolarHBondContact O-N 3.43Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å
185K65.1Low56.3Low51 Ų5167.1 Ų67.122%0.22238%0.381CS..Hα-helixtrans-61.4-50.1169.1-175.5-166.6179.2-178.30110.5F123 E124 I127 L181 Q182 Q187 I188F123-K185 HydrophobicContact CD1-CB 4.43Å; E124-K185 HydrophobicContact CG-CD 4.22Å; E124-K185 WeakPolarHBondContact OE1-CE 3.3Å; E124-K185 IonicContact OE1-NZ 2.65Å; E124-K185 PolarHBondContact OE1-NZ 2.94Å; I127-K185 HydrophobicContact CD1-CB 4.04Å; I127-K185 HydrophobicContact CD1-CD 4.08Å; L181-K185 PolarHBondContact O-N 3.09Å; Q182-K185 WeakPolarHBondContact O-CA 3.38Å; Q182-K185 WeakPolarHBondContact O-CB 3.37Å; Q182-K185 PolarHBondContact O-N 2.88Å; K185-Q187 PolarHBondContact O-N 3.19Å; K185-I188 WeakPolarHBondContact O-CB 3.29Å; K185-I188 PolarHBondContact O-N 3.4Å
186N58.3Low54.1Low76 Ų7668.5 Ų68.541%0.40641%0.406SS..Hα-helixtrans-68.4-23.8-175.8-65.55.8000112Q182 Y183 I188Q182-N186 PolarHBondContact O-N 3.04Å; Q182-N186 PolarHBondContact O-OD1 3.37Å; Y183-N186 PolarHBondContact O-N 2.74Å; N186-I188 VanDerWaalsContact C-N 3.32Å
187Q58.2Low52Low17 Ų1771.4 Ų71.48%0.07943%0.428CS..Hα-helixtrans-70.7-22.5169.6-63.4-101.2-22.400113.7Y101 F105 Y183 K185Y101-Q187 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q187 HydrophobicContact CD1-CG 4.41Å; Y101-Q187 HydrophobicContact CE1-CG 4.06Å; F105-Q187 HydrophobicContact CD1-CB 4.47Å; F105-Q187 WeakPolarHBondContact CD1-O 3.4Å; F105-Q187 HydrophobicContact CD2-CB 3.74Å; F105-Q187 HydrophobicContact CE2-CB 4.07Å; F105-Q187 HydrophobicContact CG-CB 3.97Å; F105-Q187 WeakPolarHBondContact CG-O 3.31Å; Y183-Q187 HydrophobicContact CD1-CG 4.21Å; Y183-Q187 HydrophobicContact CE1-CG 4.12Å; Y183-Q187 VanDerWaalsContact CE1-NE2 3.33Å; Y183-Q187 VanDerWaalsContact CZ-NE2 3.26Å; Y183-Q187 WeakPolarHBondContact O-CG 3.47Å; Y183-Q187 PolarHBondContact O-N 2.86Å; Y183-Q187 VanDerWaalsContact O-N 3.1Å; Y183-Q187 PolarHBondContact OH-NE2 3.27Å; K185-Q187 PolarHBondContact O-N 3.19Å
188I59.4Low49.6Very low6 Ų676.7 Ų76.73%0.03145%0.452CS..Hα-helixtrans-77.3-30.8178.7-65.9162.8000111.6F105 T116 L120 F123 A184 K185 N186 P190F105-I188 HydrophobicContact CE1-CB 4.1Å; F105-I188 HydrophobicContact CE1-CG1 3.48Å; F105-I188 VanDerWaalsContact CE1-CG1 3.48Å; F105-I188 HydrophobicContact CE2-CG1 4.47Å; F105-I188 HydrophobicContact CZ-CB 4.45Å; F105-I188 HydrophobicContact CZ-CD1 4.37Å; F105-I188 HydrophobicContact CZ-CG1 3.39Å; T116-I188 HydrophobicContact CG2-CG2 3.54Å; L120-I188 HydrophobicContact CD1-CB 4.42Å; L120-I188 HydrophobicContact CD1-CG2 3.95Å; F123-I188 HydrophobicContact CD2-CD1 3.43Å; F123-I188 VanDerWaalsContact CD2-CD1 3.43Å; F123-I188 HydrophobicContact CE2-CD1 3.66Å; F123-I188 HydrophobicContact CG-CD1 4.03Å; F123-I188 HydrophobicContact CZ-CD1 4.43Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; K185-I188 WeakPolarHBondContact O-CB 3.29Å; K185-I188 PolarHBondContact O-N 3.4Å; N186-I188 VanDerWaalsContact C-N 3.32Å; I188-P190 WeakPolarHBondContact O-CD 3.4Å
189I50.8Low47.5Very low93 Ų9383.2 Ų83.248%0.47748%0.481SS..SBendtrans-71.9113.4-179.3-55.8175.1000108.6L120 S191L120-I189 HydrophobicContact CD1-CG1 4.15Å; I189-S191 PolarHBondContact O-N 3.07Å
190P41.8Very low45.6Very low57 Ų5787.3 Ų87.337%0.3751%0.506SS..  trans-77.8113.6172.5-1.520.9000107.6I188 T192I188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-T192 VanDerWaalsContact C-N 3.33Å; P190-T192 PolarHBondContact O-N 2.96Å; P190-T192 PolarHBondContact O-OG1 3.43Å
191S39.1Very low43.1Very low113 Ų11393 Ų9379%0.7952%0.522SS*.  trans-60.692.7171.855.50000109.6I189I189-S191 PolarHBondContact O-N 3.07Å
192T30.8Very low40.9Very low117 Ų11798 Ų9872%0.71855%0.554SS**  trans-104.735.8-169.9-45.80000111.3P190P190-T192 VanDerWaalsContact C-N 3.33Å; P190-T192 PolarHBondContact O-N 2.96Å; P190-T192 PolarHBondContact O-OG1 3.43Å
193E29.9Very low39.1Very low183 Ų183103.4 Ų103.486%0.85559%0.588SS**SBendtrans-163.6156165.2-105.1149.9-136.100106.9
194G29.2Very low37.4Very low81 Ų81105.9 Ų105.984%0.83561%0.612SS**  trans10019.3175.200000118.7
195L26.4Very low35.8Very low169 Ų169114.8 Ų114.889%0.88565%0.651SS**  trans-102.954.9165.7-151.983.8000112.2T197L195-T197 PolarHBondContact O-N 3.17Å
196G26Very low34.2Very low69 Ų69116.2 Ų116.271%0.71168%0.679SS**  trans-86.892.3179.300000112.4L198G196-L198 PolarHBondContact O-N 3.01Å
197T27.2Very low32.9Very low119 Ų119117.1 Ų117.173%0.7370%0.697SS**  trans-66.898.5178.6-35.80000111.2L195 H199L195-T197 PolarHBondContact O-N 3.17Å; T197-H199 VanDerWaalsContact C-N 3.29Å; T197-H199 PolarHBondContact O-N 3.08Å
198L25.7Very low31.5Very low158 Ų158127 Ų12783%0.82774%0.736SS**  trans-77.675.8-174.7-127.1161.4000111.6G196 V200G196-L198 PolarHBondContact O-N 3.01Å; L198-V200 PolarHBondContact O-N 3.48Å; L198-V200 VanDerWaalsContact O-N 3.08Å
199H26.3Very low30.3Very low148 Ų148133.7 Ų133.769%0.68578%0.777SS**  trans-66.5101.3164.9-100.846.6000109.4T197 R201T197-H199 VanDerWaalsContact C-N 3.29Å; T197-H199 PolarHBondContact O-N 3.08Å; H199-R201 PolarHBondContact O-N 2.74Å
200V24.8Very low29.4Very low130 Ų130137 Ų13779%0.78879%0.79SS**  trans-64.2107.6169.2-179.60000108.4L198L198-V200 PolarHBondContact O-N 3.48Å; L198-V200 VanDerWaalsContact O-N 3.08Å
201R23Very low28.9Very low213 Ų213140.1 Ų140.180%0.80480%0.804SS**  trans-120.1115.4166.6-83.6-172.4168-174.6-3.4108.9H199 T203H199-R201 PolarHBondContact O-N 2.74Å; R201-T203 PolarHBondContact O-N 3.36Å
202T25Very low28.6Very low141 Ų141144.2 Ų144.287%0.86581%0.807SS**  trans-55.6129.3170.820.50000110.5
203T25.4Very low28.6Very low138 Ų138142 Ų14285%0.84781%0.808SS**  trans-95.5119.9-177.649.60000111.6R201R201-T203 PolarHBondContact O-N 3.36Å
204T29.1Very low28.7Very low129 Ų129139.6 Ų139.679%0.79181%0.805SS**  trans-121.9109.8162.252.10000109
205E30Very low29Very low203 Ų203142.5 Ų142.595%0.94980%0.802SS**  trans39.3133152.3-51.8-173.6150.700121.1
206G30.8Very low29.3Very low80 Ų80139.1 Ų139.183%0.82579%0.793SS**  trans14986.4156.600000119
207A32.9Very low29.7Very low95 Ų95143 Ų14379%0.78580%0.803SS**  trans14.7126.3154.400000123.3
208Y27.8Very low29.9Very low225 Ų225141.7 Ų141.788%0.88280%0.804SS**  trans0.6136.3144-65.5-98.6000121.1
209V33.3Very low30.5Very low147 Ų147139.4 Ų139.489%0.89180%0.798SS**  -176.8163.2100.6153.30000110.6
210Q32.5Very low30.6Very low161 Ų161138.8 Ų138.875%0.75281%0.805SS**  trans-93.4154.5-157.3-50.6173.4-15.700118.2
211N31.1Very low31.1Very low124 Ų124137.9 Ų137.966%0.66381%0.811SS**  87.9128128.7-87.4-34.7000125.2
212K33.6Very low31.3Very low198 Ų198136.7 Ų136.786%0.86181%0.812SS**  trans87.2134.7139.9-73.2174.2176.5-179.80123
213G31.5Very low31.7Very low72 Ų72138.3 Ų138.374%0.74281%0.814SS**  trans99.4111.9162.300000114.3
214V32.1Very low31.9Very low131 Ų131139.5 Ų139.579%0.79481%0.81SS**  cis107.5132.9221770000113.4
215D34.6Very low31.7Very low142 Ų142139.2 Ų139.276%0.75981%0.811SS**  trans75.596.7167.3-67.1-17.3000123.4
216S31.8Very low31.8Very low99 Ų99137 Ų13769%0.69280%0.803SS**  51.6124.6124.470.60000123.1
217T35.5Very low31.4Very low150 Ų150142.3 Ų142.392%0.9281%0.807SS**  -174.2169111.522.90000111.7
218A32.1Very low31.3Very low92 Ų92145.5 Ų145.576%0.7681%0.809SS**  trans-143.6-174.7-179.600000108.7
219P37.1Very low31.1Very low109 Ų109138.9 Ų138.971%0.70880%0.801SS**  cis-141.5-173.61.238.2-16.3000116.4
220T29.5Very low30.7Very low136 Ų136137.8 Ų137.883%0.83480%0.795SS**  trans61.8116.8151.840.80000122.3
221A34.4Very low30.6Very low110 Ų110139 Ų13991%0.90980%0.8SS**  trans-150.3149.1136.600000110.7
222K28.4Very low30.2Very low189 Ų189139 Ų13982%0.82280%0.804SS**  trans-89.3159.8-177.9-59.6172.4170.2-172.90112.3
223L32.1Very low30Very low174 Ų174137.6 Ų137.691%0.91181%0.806SS**  -165.4174.8128.6-105160.2000111.3
224E29.2Very low29.8Very low163 Ų163139.3 Ų139.376%0.76281%0.806SS**  trans-112.7165.8-152-85.8168.6-173.600115.4
225P25.8Very low30Very low123 Ų123138.4 Ų138.480%0.79980%0.803SS**  trans-88.4176.2-170.637.1-37.8000114.5
226I31Very low29.9Very low156 Ų156137.8 Ų137.880%0.880%0.8SS**  trans-128.6125.2174.5-62.3176.4000109.9I228I226-I228 HydrophobicContact CG2-CD1 4.49Å; I226-I228 HydrophobicContact CG2-CG1 4.15Å
227E23.5Very low29.9Very low193 Ų193139.6 Ų139.690%0.90280%0.802SS**  trans-105.5153.3163-64.5-178.5135.100109.5
228I30.6Very low29.7Very low162 Ų162138.3 Ų138.383%0.83179%0.789SS**  trans-139.2137.2169.9-63.4-175.6000109.9I226I226-I228 HydrophobicContact CG2-CD1 4.49Å; I226-I228 HydrophobicContact CG2-CG1 4.15Å
229A23.5Very low29.7Very low86 Ų86141.7 Ų141.771%0.71179%0.787SS**  trans-153.8168-177.300000109.8
230T26Very low29.3Very low124 Ų124142.3 Ų142.376%0.76179%0.788SS**  cis-116.4-107.85.7-47.10000111.9
231E28.7Very low29.2Very low186 Ų186144.4 Ų144.487%0.86979%0.786SS**  cis-138.71700.9-68.4-166.3107.800110.6
232V23.8Very low28.8Very low123 Ų123146.1 Ų146.175%0.74578%0.775SS**  trans-136129.4-170.51770000110.8
233L29.4Very low28.6Very low170 Ų170144.8 Ų144.889%0.8977%0.772SS**  trans-145.7149.1165.7-77.3-177.8000112.8
234S27.9Very low28.4Very low107 Ų107143 Ų14375%0.74877%0.768SS**  trans-165.9179.4175.1-58.10000106.9
235P35.2Very low28.2Very low113 Ų113141 Ų14173%0.73477%0.767SS**  cis-130.1-165.1-8.8233.6000112.5
236N32.2Very low28.3Very low129 Ų129140.9 Ų140.969%0.6977%0.766SS**  trans133.1143.7136.3-87.933000119.7
237D33.4Very low28Very low136 Ų136142 Ų14273%0.72777%0.767SS**  trans74.487.9146.6-58.5-10.6000123.6
238D30Very low28.1Very low124 Ų124139.7 Ų139.766%0.66377%0.767SS**  100.1142.1105-148.412.5000122
239K33.3Very low27.8Very low162 Ų162136.5 Ų136.570%0.70476%0.758SS**  trans82.386.9161.9-59.1-177179.5720124
240V28Very low28.1Very low123 Ų123143.5 Ų143.575%0.74577%0.768SS**  63.495.9105.5172.60000120.2
241K26.5Very low28Very low179 Ų179142 Ų14278%0.77876%0.763SS**  166.9142.6111-98.3176.1177.1178.70118
242H26Very low27.8Very low146 Ų146138.3 Ų138.368%0.67676%0.757SS**  trans53.4135.5152.8-79.8-91.2000123.3
243E24.8Very low28Very low162 Ų162137.1 Ų137.176%0.75775%0.754SS**  trans57.7110.4142.7-71.9156.9-154.800120.3
244V29Very low27.7Very low137 Ų137138.1 Ų138.183%0.8375%0.754SS**  -170.6143.6100.9146.60000109.1
245T24.9Very low27.9Very low120 Ų120140.6 Ų140.674%0.73676%0.759SS**PPolyproline II helixtrans-69.7137.5170.931.50000111.2E247T245-E247 PolarHBondContact O-N 3.16Å
246P26.8Very low27.5Very low120 Ų120138.1 Ų138.178%0.77976%0.755SS**PPolyproline II helixtrans-64.7122.2175.7-17.930.9000111.4V248P246-V248 PolarHBondContact O-N 2.7Å
247E25.7Very low27.3Very low179 Ų179138.8 Ų138.884%0.83676%0.758SS**PPolyproline II helixtrans-69.4124.4166.9-65.9-178.7139.800109.1T245 S249T245-E247 PolarHBondContact O-N 3.16Å; E247-S249 PolarHBondContact O-N 3.32Å
248V25.3Very low27.3Very low146 Ų146139.5 Ų139.589%0.88576%0.757SS**  trans-77.962.1173.1-76.50000111.1P246 Y250P246-V248 PolarHBondContact O-N 2.7Å; V248-Y250 PolarHBondContact O-N 2.69Å
249S24.8Very low27.4Very low94 Ų94139.1 Ų139.166%0.65776%0.755SS**  trans-70.3106.3173.4-177.10000110.2E247 S251E247-S249 PolarHBondContact O-N 3.32Å; S249-S251 VanDerWaalsContact C-N 3.28Å; S249-S251 PolarHBondContact O-N 2.78Å
250Y27.9Very low27.5Very low234 Ų234134.2 Ų134.292%0.91873%0.733SS**  trans-79.282.8168.7-126.7-90.3000108.6V248 S252V248-Y250 PolarHBondContact O-N 2.69Å; Y250-S252 PolarHBondContact O-N 2.84Å
251S24.2Very low27.9Very low92 Ų92135 Ų13564%0.64372%0.724SS**  trans-60.6132.3-178.2-173.50000111.2S249 S253S249-S251 VanDerWaalsContact C-N 3.28Å; S249-S251 PolarHBondContact O-N 2.78Å; S251-S253 PolarHBondContact O-N 2.93Å
252S24.4Very low28.6Very low108 Ų108128.8 Ų128.876%0.75570%0.699SS**  trans-54.8128.2164.8-179.50000110.4Y250Y250-S252 PolarHBondContact O-N 2.84Å
253S27.8Very low29.3Very low98 Ų98122.6 Ų122.669%0.68567%0.671SS**  trans-136.9120.4166.2580000109S251 D255S251-S253 PolarHBondContact O-N 2.93Å; S253-D255 PolarHBondContact O-N 3.3Å; S253-D255 VanDerWaalsContact O-N 3.14Å
254E24.8Very low29.8Very low191 Ų191119.4 Ų119.489%0.89366%0.663SS**  trans-83.981.1-174.6-63.6169.2112.900111.6
255D30.7Very low30.2Very low159 Ų159116.8 Ų116.885%0.8564%0.642SS**  trans-143.3139.6163-76.7-59.8000105.2S253S253-D255 PolarHBondContact O-N 3.3Å; S253-D255 VanDerWaalsContact O-N 3.14Å
256G27.2Very low30.8Very low62 Ų62112 Ų11264%0.63961%0.611SS**  cis125.7103.634.400000107.1E258G256-E258 PolarHBondContact O-N 2.8Å
257D28.9Very low31.1Very low143 Ų143115.6 Ų115.677%0.76561%0.609SS**  trans70.212.8165.6-56.6-23.3000122.2L259D257-L259 PolarHBondContact O-N 2.63Å
258E33.3Very low31.6Very low150 Ų150109.6 Ų109.670%0.70159%0.59SS**  trans-73.967.3167.4-75-119.8126.700113G256 K359G256-E258 PolarHBondContact O-N 2.8Å; E258-K359 IonicContact OE1-NZ 3.23Å; E258-K359 PolarHBondContact OE1-NZ 2.88Å; E258-K359 IonicContact OE2-NZ 2.78Å; E258-K359 PolarHBondContact OE2-NZ 3.02Å
259L31.5Very low32.1Very low117 Ų117105.3 Ų105.361%0.61356%0.561SS**  trans-101.4104.2-179.5-79.8169.4000114.1D257D257-L259 PolarHBondContact O-N 2.63Å
260F35.2Very low32.8Very low58 Ų58103.6 Ų103.625%0.25454%0.544SS..  trans49.381.6157.2-61.9-64.4000118.2R664 A667 K668F260-R664 HydrophobicContact CD1-CB 4.29Å; F260-R664 HydrophobicContact CD1-CG 3.66Å; F260-R664 HydrophobicContact CE1-CB 4Å; F260-R664 HydrophobicContact CE1-CG 3.53Å; F260-R664 HydrophobicContact CG-CG 4.45Å; F260-R664 HydrophobicContact CZ-CB 4.16Å; F260-R664 HydrophobicContact CZ-CG 4.21Å; F260-A667 HydrophobicContact CZ-CB 4.1Å; F260-K668 HydrophobicContact CE2-CD 4.5Å; F260-K668 HydrophobicContact CE2-CG 3.9Å
261Y35.7Very low33Very low140 Ų14095 Ų9555%0.54953%0.527SS..  trans-90.3-32.4175.5-74.7-78.7000115.1T263 V264Y261-T263 PolarHBondContact O-N 2.73Å; Y261-V264 PolarHBondContact O-N 2.99Å
262D42.8Very low33.6Very low48 Ų4897.3 Ų97.326%0.25753%0.532SS..THydrogen-bonded Turntrans-57.6-11.1-161.6-39.4-16.6000116.6T361D262-T361 WeakPolarHBondContact O-CB 3.24Å; D262-T361 PolarHBondContact O-OG1 2.81Å
263T39.9Very low34.3Very low16 Ų1699.1 Ų99.110%0.09853%0.528CS..THydrogen-bonded Turntrans-121.2-3.9-176.457.80000114.6Y261 E265 Q266 R267 F657 R664Y261-T263 PolarHBondContact O-N 2.73Å; T263-E265 VanDerWaalsContact C-N 3.35Å; T263-Q266 PolarHBondContact O-N 3.39Å; T263-R267 PolarHBondContact O-N 3.28Å; T263-R267 VanDerWaalsContact O-N 3.09Å; T263-F657 HydrophobicContact CG2-CD2 4.34Å; T263-F657 HydrophobicContact CG2-CE2 4.33Å; T263-R664 PolarHBondContact OG1-NH1 3.07Å; T263-R664 VanDerWaalsContact OG1-NH1 3.12Å
264V35.1Very low34.6Very low95 Ų9597.8 Ų97.858%0.57651%0.513SS*.Hα-helixtrans-66.5-41.5174.5-177.10000110Y261 R267 A268Y261-V264 PolarHBondContact O-N 2.99Å; V264-R267 WeakPolarHBondContact O-CB 3.45Å; V264-R267 PolarHBondContact O-N 3.34Å; V264-A268 PolarHBondContact O-N 3.4Å
265E37.2Very low34.8Very low83 Ų8395.5 Ų95.539%0.38852%0.517SS..Hα-helixtrans-68.9-40175.4-62.5-170.6135.700112.4T263 R267 A268 I269 F360T263-E265 VanDerWaalsContact C-N 3.35Å; E265-R267 PolarHBondContact O-N 3Å; E265-A268 WeakPolarHBondContact O-CA 3.25Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.92Å; E265-I269 WeakPolarHBondContact O-CG1 3.35Å; E265-I269 PolarHBondContact O-N 2.69Å; E265-F360 WeakPolarHBondContact OE2-CE2 3.35Å
266Q37Very low34.9Very low18 Ų1891.8 Ų91.88%0.08450%0.496CS..Hα-helixtrans-56.3-40.6172.2-71.7-163.3-50.400111.7T263 A268 I269 I270 T361T263-Q266 PolarHBondContact O-N 3.39Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.08Å; Q266-I269 PolarHBondContact O-N 2.82Å; Q266-I270 WeakPolarHBondContact O-CB 3.46Å; Q266-I270 WeakPolarHBondContact O-CD1 3.49Å; Q266-I270 WeakPolarHBondContact O-CG1 3.4Å; Q266-I270 PolarHBondContact O-N 2.81Å; Q266-T361 HydrophobicContact CG-CG2 4.11Å; Q266-T361 VanDerWaalsContact NE2-CG2 3.33Å
267R34.6Very low34.9Very low197 Ų19791 Ų9174%0.74349%0.488SS*.Hα-helixtrans-65.8-32.4177.2-152.2176.6-164.3173.65.4112.4T263 V264 E265 G271T263-R267 PolarHBondContact O-N 3.28Å; T263-R267 VanDerWaalsContact O-N 3.09Å; V264-R267 WeakPolarHBondContact O-CB 3.45Å; V264-R267 PolarHBondContact O-N 3.34Å; E265-R267 PolarHBondContact O-N 3Å; R267-G271 PolarHBondContact O-N 3.11Å; R267-G271 VanDerWaalsContact O-N 3.11Å
268A34.5Very low35Very low52 Ų5292 Ų9243%0.4349%0.488SS..Hα-helixtrans-72.9-40.1173.600000112.6V264 E265 Q266 G271 N272V264-A268 PolarHBondContact O-N 3.4Å; E265-A268 WeakPolarHBondContact O-CA 3.25Å; E265-A268 WeakPolarHBondContact O-CB 3.48Å; E265-A268 PolarHBondContact O-N 2.92Å; Q266-A268 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 3.08Å; A268-G271 PolarHBondContact O-N 3.09Å; A268-N272 WeakPolarHBondContact O-CB 3.31Å; A268-N272 PolarHBondContact O-N 2.85Å
269I36.6Very low34.9Very low57 Ų5791.3 Ų91.329%0.29249%0.489SS..Hα-helixtrans-62.7-47.8174.9-64.8162000110.1E265 Q266 G271 N272 E273 L347E265-I269 WeakPolarHBondContact O-CG1 3.35Å; E265-I269 PolarHBondContact O-N 2.69Å; Q266-I269 PolarHBondContact O-N 2.82Å; I269-G271 PolarHBondContact O-N 2.92Å; I269-N272 PolarHBondContact O-N 2.83Å; I269-E273 PolarHBondContact O-N 2.89Å; I269-L347 HydrophobicContact CD1-CD2 3.98Å
270I39.2Very low35Very low58 Ų5888.1 Ų88.130%0.29748%0.48SS..Hα-helixtrans-60.6-33.2176.4-69166.2000111.7Q266 I276Q266-I270 WeakPolarHBondContact O-CB 3.46Å; Q266-I270 WeakPolarHBondContact O-CD1 3.49Å; Q266-I270 WeakPolarHBondContact O-CG1 3.4Å; Q266-I270 PolarHBondContact O-N 2.81Å; I270-I276 HydrophobicContact CG2-CD1 3.61Å
271G32Very low34.9Very low54 Ų5488.1 Ų88.156%0.55749%0.49SS*.Hα-helixtrans-82.5-31.2179.400000115.7R267 A268 I269R267-G271 PolarHBondContact O-N 3.11Å; R267-G271 VanDerWaalsContact O-N 3.11Å; A268-G271 PolarHBondContact O-N 3.09Å; I269-G271 PolarHBondContact O-N 2.92Å
272N37.1Very low34.8Very low140 Ų14086.4 Ų86.475%0.74949%0.491SS*.Hα-helixtrans-93.9-27.9-171.8-83.5-11.2000115A268 I269A268-N272 WeakPolarHBondContact O-CB 3.31Å; A268-N272 PolarHBondContact O-N 2.85Å; I269-N272 PolarHBondContact O-N 2.83Å
273E40Very low34.6Very low145 Ų14590.3 Ų90.368%0.67851%0.508SS*.SBendtrans-106.6-10.6-176.1-65.2-163.3134.700114.3I269I269-E273 PolarHBondContact O-N 2.89Å
274L33.3Very low34.5Very low70 Ų7093.4 Ų93.437%0.36652%0.523SS..  trans-114.3121.6178.7-70.8149.8000110.5I276L274-I276 HydrophobicContact CB-CD1 4.07Å; L274-I276 HydrophobicContact CB-CG1 3.59Å; L274-I276 HydrophobicContact CD1-CD1 4.5Å; L274-I276 PolarHBondContact O-N 2.98Å
275C29.9Very low34.6Very low143 Ų14392.8 Ų92.897%0.96652%0.523SS*.  trans-73.169.4165.9-63.10000110.1G277C275-G277 PolarHBondContact O-N 3.02Å
276I31Very low34.7Very low81 Ų8193.4 Ų93.442%0.41554%0.536SS..  trans-68.4111.7179.3-58.6-176.2000108.6I270 L274 A280I270-I276 HydrophobicContact CG2-CD1 3.61Å; L274-I276 HydrophobicContact CB-CD1 4.07Å; L274-I276 HydrophobicContact CB-CG1 3.59Å; L274-I276 HydrophobicContact CD1-CD1 4.5Å; L274-I276 PolarHBondContact O-N 2.98Å; I276-A280 HydrophobicContact CG2-CB 3.86Å
277G27.6Very low35.2Very low45 Ų4596 Ų9646%0.46455%0.548SS..  trans-57.5139.916700000110.1C275 D279 A280C275-G277 PolarHBondContact O-N 3.02Å; G277-D279 PolarHBondContact O-N 2.91Å; G277-A280 PolarHBondContact O-N 3.39Å
278Q30.7Very low35.7Very low165 Ų16590.5 Ų90.577%0.77153%0.532SS*.THydrogen-bonded Turntrans-54.6-30.3-165.2-62.5179.7-104.400113.3A280 A281 D282Q278-A280 VanDerWaalsContact C-N 3.26Å; Q278-A280 PolarHBondContact O-N 3.18Å; Q278-A280 VanDerWaalsContact O-N 3.15Å; Q278-A281 WeakPolarHBondContact O-CB 3.31Å; Q278-A281 PolarHBondContact O-N 2.78Å; Q278-D282 PolarHBondContact O-N 2.91Å
279D31.4Very low36.5Very low136 Ų13691.1 Ų91.173%0.72753%0.531SS*.Hα-helixtrans-48.1-41178.7-42.8-53.9000113.8G277 D282 E283G277-D279 PolarHBondContact O-N 2.91Å; D279-D282 PolarHBondContact O-N 2.86Å; D279-E283 PolarHBondContact O-N 2.94Å
280A34.5Very low36.8Very low50 Ų5090 Ų9041%0.41353%0.527SS..Hα-helixtrans-81.8-12.8-17700000114.1I276 G277 Q278I276-A280 HydrophobicContact CG2-CB 3.86Å; G277-A280 PolarHBondContact O-N 3.39Å; Q278-A280 VanDerWaalsContact C-N 3.26Å; Q278-A280 PolarHBondContact O-N 3.18Å; Q278-A280 VanDerWaalsContact O-N 3.15Å
281A32.9Very low37Very low58 Ų5893.1 Ų93.148%0.47954%0.544SS..Hα-helixtrans-80.6-33.7170.300000111.3Q278 L284 S285Q278-A281 WeakPolarHBondContact O-CB 3.31Å; Q278-A281 PolarHBondContact O-N 2.78Å; A281-L284 PolarHBondContact O-N 2.82Å; A281-S285 PolarHBondContact O-N 2.76Å
282D32.9Very low37.9Very low104 Ų10494.9 Ų94.956%0.55654%0.537SS*.Hα-helixtrans-76.9-30.4-178.3-77.5-29.8000113.6Q278 D279 L284 S285 S286Q278-D282 PolarHBondContact O-N 2.91Å; D279-D282 PolarHBondContact O-N 2.86Å; D282-L284 VanDerWaalsContact C-N 3.25Å; D282-L284 PolarHBondContact O-N 3.22Å; D282-S285 WeakPolarHBondContact CA-OG 3.16Å; D282-S285 PolarHBondContact O-N 3.4Å; D282-S285 PolarHBondContact O-OG 2.83Å; D282-S285 VanDerWaalsContact O-OG 3.11Å; D282-S285 PolarHBondContact OD1-OG 3Å; D282-S286 PolarHBondContact O-N 2.98Å
283E38.4Very low38.3Very low130 Ų13090.8 Ų90.861%0.60751%0.514SS*.Hα-helixtrans-57.6-40.4167.9-72.6-166148.100111.9D279 S286D279-E283 PolarHBondContact O-N 2.94Å; E283-S286 PolarHBondContact O-OG 3.23Å
284L38.8Very low38.7Very low81 Ų8186.1 Ų86.142%0.42449%0.494SS..Hα-helixtrans-79.5-24.2179.6-12577.1000113.3A281 D282 S286 F657A281-L284 PolarHBondContact O-N 2.82Å; D282-L284 VanDerWaalsContact C-N 3.25Å; D282-L284 PolarHBondContact O-N 3.22Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-F657 HydrophobicContact CD2-CE1 4.25Å
285S36.2Very low39.5Very low82 Ų8289.6 Ų89.657%0.57351%0.513SS*.Hα-helixtrans-76.8-20.3177.581.50000113A281 D282 Q287A281-S285 PolarHBondContact O-N 2.76Å; D282-S285 WeakPolarHBondContact CA-OG 3.16Å; D282-S285 PolarHBondContact O-N 3.4Å; D282-S285 PolarHBondContact O-OG 2.83Å; D282-S285 VanDerWaalsContact O-OG 3.11Å; D282-S285 PolarHBondContact OD1-OG 3Å; S285-Q287 PolarHBondContact O-N 2.86Å
286S40.1Very low40.5Very low96 Ų9689.8 Ų89.867%0.67150%0.5SS*.THydrogen-bonded Turntrans-66.9-10178.974.20000115.8D282 E283 L284D282-S286 PolarHBondContact O-N 2.98Å; E283-S286 PolarHBondContact O-OG 3.23Å; L284-S286 VanDerWaalsContact C-N 3.33Å
287Q47.9Very low41.3Very low71 Ų7189.6 Ų89.633%0.33250%0.499SS..SBendtrans-76.4140.5-171.5-60.1-172.524.200112.6S285 T289S285-Q287 PolarHBondContact O-N 2.86Å; Q287-T289 PolarHBondContact O-N 2.92Å
288M44.9Very low42.3Very low83 Ų8390.8 Ų90.841%0.40950%0.501SS..PPolyproline II helixtrans-56.2131.1174.4-85.4-163.4157.200111.8Q292 M293 E296M288-Q292 HydrophobicContact CB-CB 4.1Å; M288-Q292 HydrophobicContact CE-CB 4.12Å; M288-Q292 HydrophobicContact CG-CB 3.98Å; M288-Q292 HydrophobicContact SD-CB 3.95Å; M288-M293 HydrophobicContact CB-CG 4.12Å; M288-M293 HydrophobicContact SD-CG 4.5Å; M288-E296 VanDerWaalsContact CE-CD 3.42Å; M288-E296 HydrophobicContact CE-CG 4.44Å; M288-E296 WeakPolarHBondContact CE-OE1 3.41Å; M288-E296 VanDerWaalsContact CE-OE2 3.24Å; M288-E296 WeakPolarHBondContact CE-OE2 3.23Å
289T50.8Low43.1Very low65 Ų6587.3 Ų87.340%0.39949%0.491SS..PPolyproline II helixtrans-64.7156.5168.862.30000111Q287 L291 Q292 M293Q287-T289 PolarHBondContact O-N 2.92Å; T289-L291 PolarHBondContact O-N 2.96Å; T289-L291 VanDerWaalsContact O-N 3.07Å; T289-Q292 PolarHBondContact O-N 3.28Å; T289-Q292 PolarHBondContact OG1-N 2.85Å; T289-Q292 PolarHBondContact OG1-OE1 3.5Å; T289-M293 PolarHBondContact O-N 2.93Å
290P42.7Very low43.8Very low34 Ų3488 Ų8822%0.22149%0.489CS..Hα-helixtrans-54.7-27.9172.5-28.436.3000113.8L294 D665 I669P290-L294 WeakPolarHBondContact O-CB 3.28Å; P290-L294 WeakPolarHBondContact O-CD1 3.49Å; P290-L294 VanDerWaalsContact O-CG 3.26Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.38Å; P290-D665 HydrophobicContact CG-CB 4.25Å; P290-I669 HydrophobicContact CB-CD1 4.4Å; P290-I669 HydrophobicContact CB-CG1 4.14Å
291L44.2Very low44.5Very low123 Ų12387.7 Ų87.764%0.64449%0.487SS*.Hα-helixtrans-71.4-29.5174.3-71.1170.8000113.4T289 L294T289-L291 PolarHBondContact O-N 2.96Å; T289-L291 VanDerWaalsContact O-N 3.07Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å
292Q50Low45.3Very low90 Ų9085.6 Ų85.642%0.42147%0.468SS..Hα-helixtrans-77.5-42.9172.7-72.8158.2-63.100110.8M288 T289 L294 N295M288-Q292 HydrophobicContact CB-CB 4.1Å; M288-Q292 HydrophobicContact CE-CB 4.12Å; M288-Q292 HydrophobicContact CG-CB 3.98Å; M288-Q292 HydrophobicContact SD-CB 3.95Å; T289-Q292 PolarHBondContact O-N 3.28Å; T289-Q292 PolarHBondContact OG1-N 2.85Å; T289-Q292 PolarHBondContact OG1-OE1 3.5Å; Q292-L294 PolarHBondContact O-N 2.84Å; Q292-N295 PolarHBondContact O-N 2.96Å
293M47Very low46.3Very low54 Ų5483.6 Ų83.627%0.26646%0.457SS..Hα-helixtrans-58.9-30.4173.4-65.9-17373.500113.1M288 T289 N295 I669M288-M293 HydrophobicContact CB-CG 4.12Å; M288-M293 HydrophobicContact SD-CG 4.5Å; T289-M293 PolarHBondContact O-N 2.93Å; M293-N295 VanDerWaalsContact C-N 3.3Å; M293-N295 PolarHBondContact O-N 3.08Å; M293-I669 HydrophobicContact CB-CD1 4.15Å; M293-I669 HydrophobicContact SD-CD1 4.26Å
294L48Very low47.4Very low48 Ų4883.1 Ų83.125%0.25146%0.455SS..Hα-helixtrans-67.9-22.5175.1-86.7165.7000114.3P290 L291 Q292 I669 L672 K673P290-L294 WeakPolarHBondContact O-CB 3.28Å; P290-L294 WeakPolarHBondContact O-CD1 3.49Å; P290-L294 VanDerWaalsContact O-CG 3.26Å; P290-L294 WeakPolarHBondContact O-CG 3.43Å; P290-L294 PolarHBondContact O-N 3.38Å; L291-L294 HydrophobicContact CD2-CD1 4.3Å; Q292-L294 PolarHBondContact O-N 2.84Å; L294-I669 HydrophobicContact CD2-CG2 4.01Å; L294-I669 HydrophobicContact CG-CG2 4.44Å; L294-L672 HydrophobicContact CD1-CD1 4.06Å; L294-K673 HydrophobicContact CD2-CD 4.48Å; L294-K673 HydrophobicContact CD2-CG 4.37Å
295N49.8Very low48.7Very low143 Ų14380 Ų8077%0.76544%0.438SS*.Hα-helixtrans-95.7-23.9-175.3-77-15.3000114.2Q292 M293Q292-N295 PolarHBondContact O-N 2.96Å; M293-N295 VanDerWaalsContact C-N 3.3Å; M293-N295 PolarHBondContact O-N 3.08Å
296E50.2Low50Low146 Ų14678.1 Ų78.168%0.68242%0.424SS*.Hα-helixtrans-103.2-26.1-174.2-67.2-172.2-17800114.3M288M288-E296 VanDerWaalsContact CE-CD 3.42Å; M288-E296 HydrophobicContact CE-CG 4.44Å; M288-E296 WeakPolarHBondContact CE-OE1 3.41Å; M288-E296 VanDerWaalsContact CE-OE2 3.24Å; M288-E296 WeakPolarHBondContact CE-OE2 3.23Å
297N48.7Very low51.3Low77 Ų7774.6 Ų74.641%0.41240%0.396SS..SBendtrans-102.1135.8-174.3-72.1-49000113.3I302N297-I302 HydrophobicContact CB-CD1 3.79Å; N297-I302 HydrophobicContact CB-CG1 4.08Å
298S48.7Very low52.2Low71 Ų7171.2 Ų71.250%0.49738%0.38SS..  trans-60.9155.2172.668.80000111.4E300 A301S298-E300 PolarHBondContact O-N 3.27Å; S298-A301 PolarHBondContact O-N 3.3Å
299V47.2Very low53.4Low91 Ų9168.4 Ų68.455%0.55237%0.367SS*.Hα-helixtrans-59.4-37.1-178.2-176.70000111.5A301 I302 K673 I675V299-A301 PolarHBondContact O-N 3.04Å; V299-I302 PolarHBondContact O-N 3.36Å; V299-K673 HydrophobicContact CG1-CD 4.49Å; V299-I675 HydrophobicContact CG1-CD1 4.31Å
300E46.2Very low54.3Low151 Ų15169.2 Ų69.271%0.70637%0.369SS*.Hα-helixtrans-69.8-25.2-178.7-59.3173.9157.500114.2S298 Q304S298-E300 PolarHBondContact O-N 3.27Å; E300-Q304 PolarHBondContact O-NE2 3.24Å
301A49.3Very low55.8Low44 Ų4474.6 Ų74.636%0.36440%0.396SS..Hα-helixtrans-78.2-26.9-179.900000112.8S298 V299S298-A301 PolarHBondContact O-N 3.3Å; V299-A301 PolarHBondContact O-N 3.04Å
302I50.4Low57.4Low14 Ų1470.4 Ų70.47%0.07237%0.373CS..Hα-helixtrans-83.6-23.7-175-77.7161.3000112.9N297 V299 Q304 I669 K673N297-I302 HydrophobicContact CB-CD1 3.79Å; N297-I302 HydrophobicContact CB-CG1 4.08Å; V299-I302 PolarHBondContact O-N 3.36Å; I302-Q304 VanDerWaalsContact C-N 3.35Å; I302-I669 HydrophobicContact CD1-CG2 4.29Å; I302-I669 HydrophobicContact CG2-CG2 3.69Å; I302-K673 VanDerWaalsContact CD1-NZ 3.27Å
303D52.7Low58.7Low61 Ų6168.9 Ų68.933%0.32637%0.371SS..SBendtrans-88.3-5.4179.9-149.538.4000112.8I675D303-I675 WeakPolarHBondContact OD1-CG2 3.4Å
304Q60.9Low60Low120 Ų12071.3 Ų71.356%0.56139%0.385SS*.SBendtrans-95.7137.7175-65.7-179.755.300110.6E300 I302 P306 Y307E300-Q304 PolarHBondContact O-NE2 3.24Å; I302-Q304 VanDerWaalsContact C-N 3.35Å; Q304-P306 HydrophobicContact CB-CG 4.31Å; Q304-P306 WeakPolarHBondContact O-CD 3.45Å; Q304-P306 VanDerWaalsContact O-N 3.16Å; Q304-Y307 WeakPolarHBondContact O-CD1 3.43Å
305F66.5Low61.4Low17 Ų1770.4 Ų70.48%0.07538%0.379CS..G310 helixtrans-55.6-26.7-172.2-154.6-81.1000118.9Y307 V308 I426 L427 G428 N631 L636 W677F305-Y307 HydrophobicContact CD2-CE1 4.28Å; F305-Y307 HydrophobicContact CG-CE1 4.44Å; F305-Y307 WeakPolarHBondContact O-CD1 3.31Å; F305-Y307 PolarHBondContact O-N 2.81Å; F305-V308 HydrophobicContact CD1-CB 4.46Å; F305-V308 HydrophobicContact CD1-CG2 4.06Å; F305-V308 HydrophobicContact CE1-CB 3.95Å; F305-V308 HydrophobicContact CE1-CG2 3.52Å; F305-V308 HydrophobicContact CZ-CG2 3.81Å; F305-V308 PolarHBondContact O-N 3.05Å; F305-I426 HydrophobicContact CE1-CD1 4.4Å; F305-I426 HydrophobicContact CZ-CD1 3.75Å; F305-I426 HydrophobicContact CZ-CG1 3.95Å; F305-L427 WeakPolarHBondContact CE2-O 3.23Å; F305-G428 WeakPolarHBondContact CE2-O 3.45Å; F305-N631 HydrophobicContact CB-CB 3.82Å; F305-N631 VanDerWaalsContact CD1-CA 3.42Å; F305-N631 HydrophobicContact CD1-CB 3.22Å; F305-N631 HydrophobicContact CD2-CB 3.67Å; F305-N631 VanDerWaalsContact CE1-CA 3.44Å; F305-N631 HydrophobicContact CE1-CB 3.6Å; F305-N631 HydrophobicContact CE2-CB 3.99Å; F305-N631 HydrophobicContact CG-CB 3.26Å; F305-N631 HydrophobicContact CZ-CB 3.94Å; F305-L636 HydrophobicContact CE1-CD1 3.74Å; F305-L636 HydrophobicContact CE1-CD2 3.76Å; F305-L636 HydrophobicContact CE1-CG 4.26Å; F305-L636 HydrophobicContact CZ-CD1 3.76Å; F305-L636 HydrophobicContact CZ-CD2 4.38Å; F305-W677 AromaticContact CD2-CH2 3.96Å; F305-W677 HydrophobicContact CD2-CH2 3.96Å; F305-W677 HydrophobicContact CD2-CZ2 4.34Å
306P63.2Low62.6Low42 Ų4264.4 Ų64.427%0.27335%0.348SS..G310 helixtrans-47.8-21.5177.114.1-32000116.4Q304 V308 V309 D310Q304-P306 HydrophobicContact CB-CG 4.31Å; Q304-P306 WeakPolarHBondContact O-CD 3.45Å; Q304-P306 VanDerWaalsContact O-N 3.16Å; P306-V308 PolarHBondContact O-N 2.67Å; P306-V309 WeakPolarHBondContact O-CG2 3.44Å; P306-V309 PolarHBondContact O-N 2.87Å; P306-D310 VanDerWaalsContact C-OD2 3.3Å; P306-D310 PolarHBondContact O-N 2.92Å
307Y67.6Low63.9Low22 Ų2263.9 Ų63.99%0.08635%0.346CS..G310 helixtrans-42.7-29.9171.383.4-100.2000115.6Q304 F305 A666Q304-Y307 WeakPolarHBondContact O-CD1 3.43Å; F305-Y307 HydrophobicContact CD2-CE1 4.28Å; F305-Y307 HydrophobicContact CG-CE1 4.44Å; F305-Y307 WeakPolarHBondContact O-CD1 3.31Å; F305-Y307 PolarHBondContact O-N 2.81Å; Y307-A666 HydrophobicContact CD2-CB 3.34Å; Y307-A666 HydrophobicContact CE1-CB 4.43Å; Y307-A666 HydrophobicContact CE2-CB 3.12Å; Y307-A666 HydrophobicContact CG-CB 4.1Å
308V66.4Low65.1Low0 Ų064.6 Ų64.60%036%0.355CS..G310 helixtrans-75.7-41.3178.5-173.30000112.2F305 P306 I426 L636 W658 L659F305-V308 HydrophobicContact CD1-CB 4.46Å; F305-V308 HydrophobicContact CD1-CG2 4.06Å; F305-V308 HydrophobicContact CE1-CB 3.95Å; F305-V308 HydrophobicContact CE1-CG2 3.52Å; F305-V308 HydrophobicContact CZ-CG2 3.81Å; F305-V308 PolarHBondContact O-N 3.05Å; P306-V308 PolarHBondContact O-N 2.67Å; V308-I426 HydrophobicContact CB-CD1 4.47Å; V308-I426 HydrophobicContact CG1-CD1 3.84Å; V308-I426 HydrophobicContact CG2-CD1 3.87Å; V308-L636 HydrophobicContact CB-CD2 4.09Å; V308-L636 HydrophobicContact CG1-CD2 3.64Å; V308-W658 WeakPolarHBondContact O-CH2 3.38Å; V308-W658 VanDerWaalsContact O-CZ3 3.22Å; V308-W658 WeakPolarHBondContact O-CZ3 3.22Å; V308-L659 HydrophobicContact CG1-CD1 3.41Å; V308-L659 VanDerWaalsContact CG1-CD1 3.41Å; V308-L659 HydrophobicContact CG1-CG 4.23Å
309V70.5Confident66.5Low23 Ų2369.3 Ų69.314%0.13937%0.374CS..THydrogen-bonded Turntrans-101.1-12.7-171.8-620000113.7P306 N311 E312 L636P306-V309 WeakPolarHBondContact O-CG2 3.44Å; P306-V309 PolarHBondContact O-N 2.87Å; V309-N311 PolarHBondContact O-N 3.04Å; V309-E312 VanDerWaalsContact O-CB 3.25Å; V309-E312 WeakPolarHBondContact O-CB 3.13Å; V309-E312 PolarHBondContact O-N 2.93Å; V309-L636 HydrophobicContact CG1-CD2 3.97Å
310D70.9Confident68.3Low82 Ų8267.2 Ų67.244%0.43936%0.357SS..THydrogen-bonded Turntrans-64.8128.4176.1-69.4-27000110.6P306 E312 R662P306-D310 VanDerWaalsContact C-OD2 3.3Å; P306-D310 PolarHBondContact O-N 2.92Å; D310-E312 VanDerWaalsContact C-N 3.28Å; D310-E312 PolarHBondContact O-N 2.72Å; D310-R662 PolarHBondContact O-NH1 2.68Å
311N72.5Confident70.4Confident147 Ų14764.6 Ų64.679%0.78635%0.348SS*.THydrogen-bonded Turntrans55.142-172.8-48.5-67.1000112.8V309 R662V309-N311 PolarHBondContact O-N 3.04Å; N311-R662 PolarHBondContact O-NH2 2.87Å; N311-R662 VanDerWaalsContact O-NH2 3.13Å
312E78.4Confident72.4Confident36 Ų3663.2 Ų63.217%0.16833%0.333CS..  trans-72.7126.9167.2-172.1166.3-157.900110.9V309 D310 F315 R638 H639 W658V309-E312 VanDerWaalsContact O-CB 3.25Å; V309-E312 WeakPolarHBondContact O-CB 3.13Å; V309-E312 PolarHBondContact O-N 2.93Å; D310-E312 VanDerWaalsContact C-N 3.28Å; D310-E312 PolarHBondContact O-N 2.72Å; E312-F315 HydrophobicContact CG-CE2 4.46Å; E312-R638 VanDerWaalsContact CD-NH2 3.27Å; E312-R638 IonicContact OE1-CZ 3.09Å; E312-R638 IonicContact OE1-NH1 3.04Å; E312-R638 PolarHBondContact OE1-NH1 2.84Å; E312-R638 IonicContact OE1-NH2 3.32Å; E312-R638 IonicContact OE2-CZ 3.75Å; E312-R638 IonicContact OE2-NH1 2.88Å; E312-R638 PolarHBondContact OE2-NH1 3.31Å; E312-R638 IonicContact OE2-NH2 3.43Å; E312-R638 PolarHBondContact OE2-NH2 3.49Å; E312-H639 IonicContact OE1-CD2 3.8Å; E312-H639 PolarHBondContact OE1-CD2 2.66Å; E312-W658 VanDerWaalsContact CA-CZ2 3.47Å; E312-W658 HydrophobicContact CB-CH2 3.46Å; E312-W658 VanDerWaalsContact CB-CH2 3.46Å; E312-W658 HydrophobicContact CB-CZ2 3.99Å; E312-W658 HydrophobicContact CB-CZ3 4.09Å; E312-W658 HydrophobicContact CG-CE3 4.35Å; E312-W658 HydrophobicContact CG-CH2 3.54Å; E312-W658 HydrophobicContact CG-CZ2 4.16Å; E312-W658 HydrophobicContact CG-CZ3 3.65Å
313P77.6Confident74.4Confident58 Ų5864.7 Ų64.738%0.37734%0.342SS..  trans-62.1138.8169.9-19.831.9000110.5F315P313-F315 HydrophobicContact CB-CD2 4.41Å; P313-F315 HydrophobicContact CB-CE1 4.19Å; P313-F315 HydrophobicContact CB-CE2 4.02Å; P313-F315 HydrophobicContact CB-CZ 3.9Å; P313-F315 HydrophobicContact CG-CE1 4.43Å; P313-F315 HydrophobicContact CG-CE2 4.12Å; P313-F315 HydrophobicContact CG-CZ 3.82Å; P313-F315 WeakPolarHBondContact O-CD2 3.28Å; P313-F315 WeakPolarHBondContact O-CE2 3.38Å; P313-F315 PolarHBondContact O-N 3.31Å
314D74.7Confident76.2Confident104 Ų10463.1 Ų63.156%0.55634%0.336SS*.  trans-73.998.6169.5-167.6-4.1000109.5S316 H639D314-S316 PolarHBondContact O-N 2.86Å; D314-S316 WeakPolarHBondContact OD1-CA 3.43Å; D314-S316 WeakPolarHBondContact OD1-CB 3.29Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 PolarHBondContact OD1-OG 2.8Å; D314-H639 IonicContact OD1-CE1 2.69Å
315F77.2Confident77.4Confident29 Ų2957.4 Ų57.413%0.12731%0.309CS..  trans-81.11.5174.2-56.1-83.8000112.6E312 P313 H639 K651 K654 C655 W658E312-F315 HydrophobicContact CG-CE2 4.46Å; P313-F315 HydrophobicContact CB-CD2 4.41Å; P313-F315 HydrophobicContact CB-CE1 4.19Å; P313-F315 HydrophobicContact CB-CE2 4.02Å; P313-F315 HydrophobicContact CB-CZ 3.9Å; P313-F315 HydrophobicContact CG-CE1 4.43Å; P313-F315 HydrophobicContact CG-CE2 4.12Å; P313-F315 HydrophobicContact CG-CZ 3.82Å; P313-F315 WeakPolarHBondContact O-CD2 3.28Å; P313-F315 WeakPolarHBondContact O-CE2 3.38Å; P313-F315 PolarHBondContact O-N 3.31Å; F315-H639 HydrophobicContact CB-CB 4.04Å; F315-H639 HydrophobicContact CD2-CB 4.06Å; F315-H639 AromaticContact CD2-CD2 3.9Å; F315-H639 AromaticContact CD2-CG 3.9Å; F315-H639 HydrophobicContact CG-CB 4.43Å; F315-K651 WeakPolarHBondContact O-CE 3.22Å; F315-K651 PolarHBondContact O-NZ 3.18Å; F315-K651 VanDerWaalsContact O-NZ 3.16Å; F315-K654 HydrophobicContact CE1-CD 4.19Å; F315-K654 HydrophobicContact CE1-CG 4.17Å; F315-C655 WeakPolarHBondContact CG-SG 3.48Å; F315-W658 HydrophobicContact CE2-CD2 4.43Å; F315-W658 HydrophobicContact CE2-CG 4.45Å; F315-W658 HydrophobicContact CZ-CB 4.18Å; F315-W658 HydrophobicContact CZ-CD2 4.48Å; F315-W658 HydrophobicContact CZ-CG 4.06Å
316S75.3Confident78.4Confident17 Ų1758.1 Ų58.112%0.11931%0.311CS..SBendtrans-111175.7-175.469.70000113D314 F322D314-S316 PolarHBondContact O-N 2.86Å; D314-S316 WeakPolarHBondContact OD1-CA 3.43Å; D314-S316 WeakPolarHBondContact OD1-CB 3.29Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 PolarHBondContact OD1-OG 2.8Å; S316-F322 WeakPolarHBondContact OG-CZ 3.3Å
317Q77.2Confident78.9Confident135 Ų13561.3 Ų61.363%0.63133%0.326SS*.  trans-78.2143.4168-68.9-68.3-17.600109.5N319 Y320Q317-N319 PolarHBondContact O-N 2.74Å; Q317-Y320 VanDerWaalsContact O-CB 3.31Å; Q317-Y320 WeakPolarHBondContact O-CB 3.34Å; Q317-Y320 PolarHBondContact O-N 3.27Å
318P73.9Confident78.7Confident92 Ų9263.7 Ų63.760%0.59734%0.34SS*.THydrogen-bonded Turntrans-55.3127.3175.5-2735.4000112.2
319N77.9Confident78.3Confident170 Ų17068 Ų6891%0.90936%0.361SS*.THydrogen-bonded Turntrans66.229.8-173.9-38.8-75.4000115.2Q317 D321Q317-N319 PolarHBondContact O-N 2.74Å; N319-D321 PolarHBondContact O-N 2.71Å
320Y85.3Confident77.2Confident48 Ų4870 Ų7019%0.18838%0.379CS..  trans-59.6133.2170-171.3-78.8000111.6Q317 F322 A325 V642Q317-Y320 VanDerWaalsContact O-CB 3.31Å; Q317-Y320 WeakPolarHBondContact O-CB 3.34Å; Q317-Y320 PolarHBondContact O-N 3.27Å; Y320-F322 HydrophobicContact CD1-CD1 4.02Å; Y320-F322 HydrophobicContact CD1-CE1 4.35Å; Y320-F322 HydrophobicContact CD1-CG 4.19Å; Y320-F322 WeakPolarHBondContact O-CD2 3.39Å; Y320-F322 PolarHBondContact O-N 2.98Å; Y320-F322 VanDerWaalsContact O-N 3.11Å; Y320-A325 HydrophobicContact CE1-CB 4.48Å; Y320-V642 HydrophobicContact CD1-CG2 3.86Å; Y320-V642 HydrophobicContact CD2-CG1 4.35Å; Y320-V642 HydrophobicContact CE1-CB 4.35Å; Y320-V642 HydrophobicContact CE1-CG1 4.08Å; Y320-V642 HydrophobicContact CE1-CG2 3.31Å; Y320-V642 HydrophobicContact CE2-CG1 3.78Å
321D90.5Very high76.3Confident95 Ų9568.3 Ų68.351%0.50837%0.368SS..  trans-77.891.6173.5-178.5-12.6000110.4N319 D323 S324N319-D321 PolarHBondContact O-N 2.71Å; D321-D323 VanDerWaalsContact C-N 3.27Å; D321-D323 PolarHBondContact O-N 3.16Å; D321-D323 PolarHBondContact OD1-N 3.3Å; D321-D323 VanDerWaalsContact OD1-N 3.08Å; D321-S324 PolarHBondContact O-N 2.92Å; D321-S324 PolarHBondContact O-OG 3.4Å; D321-S324 PolarHBondContact OD1-N 3.19Å
322F91.4Very high75.2Confident15 Ų1566.2 Ų66.27%0.06636%0.357CS..SBendtrans-67.2-23.7-179.4-69.8-76.7000114S316 Y320 A325 Y326 V625 L626 R638 H639 V642S316-F322 WeakPolarHBondContact OG-CZ 3.3Å; Y320-F322 HydrophobicContact CD1-CD1 4.02Å; Y320-F322 HydrophobicContact CD1-CE1 4.35Å; Y320-F322 HydrophobicContact CD1-CG 4.19Å; Y320-F322 WeakPolarHBondContact O-CD2 3.39Å; Y320-F322 PolarHBondContact O-N 2.98Å; Y320-F322 VanDerWaalsContact O-N 3.11Å; F322-A325 WeakPolarHBondContact O-CB 3.24Å; F322-A325 PolarHBondContact O-N 3.41Å; F322-Y326 VanDerWaalsContact O-CD2 3.27Å; F322-Y326 WeakPolarHBondContact O-CD2 3.46Å; F322-Y326 WeakPolarHBondContact O-CE2 3.43Å; F322-V625 HydrophobicContact CB-CB 3.81Å; F322-V625 HydrophobicContact CB-CG1 3.75Å; F322-V625 HydrophobicContact CB-CG2 4.25Å; F322-V625 HydrophobicContact CG-CG1 4.38Å; F322-L626 HydrophobicContact CD2-CD1 4.18Å; F322-L626 HydrophobicContact CD2-CD2 3.77Å; F322-L626 HydrophobicContact CD2-CG 4Å; F322-L626 HydrophobicContact CE2-CD2 3.91Å; F322-R638 HydrophobicContact CD1-CB 3.65Å; F322-R638 HydrophobicContact CD1-CG 3.88Å; F322-R638 HydrophobicContact CE1-CB 3.97Å; F322-R638 HydrophobicContact CE1-CG 3.67Å; F322-R638 HydrophobicContact CG-CB 4.36Å; F322-R638 HydrophobicContact CZ-CG 4.29Å; F322-H639 AromaticContact CE1-ND1 3.96Å; F322-H639 AromaticContact CZ-CE1 3.8Å; F322-V642 HydrophobicContact CD1-CG2 3.78Å; F322-V642 HydrophobicContact CE1-CG2 4.08Å
323D92.1Very high73.8Confident45 Ų4570.4 Ų70.424%0.24138%0.377CS..SBendtrans-73-38.5178.1-77.6-83.3000110.5D321 A325 Y326 P624 V625D321-D323 VanDerWaalsContact C-N 3.27Å; D321-D323 PolarHBondContact O-N 3.16Å; D321-D323 PolarHBondContact OD1-N 3.3Å; D321-D323 VanDerWaalsContact OD1-N 3.08Å; D323-A325 PolarHBondContact O-N 2.81Å; D323-Y326 PolarHBondContact O-N 2.96Å; D323-P624 WeakPolarHBondContact OD1-CA 3.19Å; D323-P624 WeakPolarHBondContact OD2-CA 3.38Å; D323-V625 PolarHBondContact OD1-N 3.36Å; D323-V625 PolarHBondContact OD2-N 3Å
324S89.9Confident72.3Confident29 Ų2973.4 Ų73.420%0.20339%0.389CS..THydrogen-bonded Turntrans-56.6-19.7171.8830000113.9D321 Y326 K645D321-S324 PolarHBondContact O-N 2.92Å; D321-S324 PolarHBondContact O-OG 3.4Å; D321-S324 PolarHBondContact OD1-N 3.19Å; S324-Y326 PolarHBondContact O-N 2.84Å; S324-K645 PolarHBondContact O-NZ 2.8Å
325A86.6Confident71.2Confident0 Ų071 Ų710%037%0.374CS..THydrogen-bonded Turntrans-69.9-13.9175.900000113.4Y320 F322 D323 R369 T641 V642 K645Y320-A325 HydrophobicContact CE1-CB 4.48Å; F322-A325 WeakPolarHBondContact O-CB 3.24Å; F322-A325 PolarHBondContact O-N 3.41Å; D323-A325 PolarHBondContact O-N 2.81Å; A325-R369 PolarHBondContact O-NH1 3.21Å; A325-T641 HydrophobicContact CB-CG2 3.91Å; A325-V642 HydrophobicContact CB-CG2 4Å; A325-K645 HydrophobicContact CB-CD 4.38Å
326Y86.7Confident69.9Low32 Ų3271.4 Ų71.413%0.12538%0.378CS..SBendtrans-114.7-6.4-177.5-61.1-88.2000114.5F322 D323 S324 R369 V625 R634 T641F322-Y326 VanDerWaalsContact O-CD2 3.27Å; F322-Y326 WeakPolarHBondContact O-CD2 3.46Å; F322-Y326 WeakPolarHBondContact O-CE2 3.43Å; D323-Y326 PolarHBondContact O-N 2.96Å; S324-Y326 PolarHBondContact O-N 2.84Å; Y326-R369 VanDerWaalsContact CE1-O 3.3Å; Y326-R369 WeakPolarHBondContact CE1-O 3.41Å; Y326-V625 HydrophobicContact CD2-CG2 4.18Å; Y326-V625 HydrophobicContact CE2-CG2 3.91Å; Y326-R634 HydrophobicContact CD1-CG 4.15Å; Y326-R634 HydrophobicContact CE1-CB 4.2Å; Y326-R634 HydrophobicContact CE1-CG 3.65Å; Y326-R634 HydrophobicContact CE2-CB 4.02Å; Y326-R634 HydrophobicContact CE2-CG 4.21Å; Y326-R634 WeakPolarHBondContact OH-CA 3.46Å; Y326-R634 PolarHBondContact OH-O 3.03Å; Y326-R634 VanDerWaalsContact OH-O 3.14Å; Y326-T641 HydrophobicContact CD1-CG2 4.26Å; Y326-T641 HydrophobicContact CE1-CG2 3.74Å; Y326-T641 HydrophobicContact CE2-CG2 4.01Å; Y326-T641 PolarHBondContact OH-OG1 3.39Å
327D73.9Confident68.7Low108 Ų10871.5 Ų71.558%0.57838%0.377SS*.  trans-72.4-30-178.3-82.2-36.9000113.8E329D327-E329 PolarHBondContact O-N 3.12Å; D327-E329 VanDerWaalsContact O-N 3.11Å
328D63.2Low67.4Low73 Ų7368 Ų6839%0.3936%0.358SS..  trans-76.997.1-177.6-56.1-60.5000111.2A330 R369 K645D328-A330 PolarHBondContact O-N 3.47Å; D328-A330 VanDerWaalsContact O-N 3.11Å; D328-R369 PolarHBondContact O-NH2 3.42Å; D328-K645 WeakPolarHBondContact OD2-CE 3.41Å; D328-K645 IonicContact OD2-NZ 3.48Å; D328-K645 PolarHBondContact OD2-NZ 3.08Å
329E57.6Low66.6Low91 Ų9170.9 Ų70.943%0.42536%0.364SS..  trans-65.2-5.9167.2-68.9-178.2-138.800112.9D327 E331 R415 K619D327-E329 PolarHBondContact O-N 3.12Å; D327-E329 VanDerWaalsContact O-N 3.11Å; E329-E331 PolarHBondContact O-N 3.42Å; E329-R415 IonicContact OE2-CZ 2.7Å; E329-R415 IonicContact OE2-NH1 2.73Å; E329-R415 PolarHBondContact OE2-NH1 2.97Å; E329-R415 IonicContact OE2-NH2 3.6Å; E329-K619 VanDerWaalsContact OE1-CE 3.24Å; E329-K619 WeakPolarHBondContact OE1-CE 3.27Å; E329-K619 IonicContact OE1-NZ 2.78Å; E329-K619 PolarHBondContact OE1-NZ 3.04Å
330A48.1Very low65.8Low63 Ų6365.3 Ų65.352%0.52133%0.332SS..  trans-72.641.5-179.200000114.9D328 D332 E333D328-A330 PolarHBondContact O-N 3.47Å; D328-A330 VanDerWaalsContact O-N 3.11Å; A330-D332 PolarHBondContact O-N 3.35Å; A330-D332 VanDerWaalsContact O-N 3.16Å; A330-E333 PolarHBondContact O-N 2.84Å
331E51.6Low64.5Low47 Ų4763.8 Ų63.822%0.2233%0.331CS..THydrogen-bonded Turntrans-70.64.6163.5-61.1-157.2142.400112.8E329 E333 E368 R369E329-E331 PolarHBondContact O-N 3.42Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E368 WeakPolarHBondContact OE2-CB 3.38Å; E331-R369 WeakPolarHBondContact OE1-CB 3.4Å; E331-R369 WeakPolarHBondContact OE1-CG 3.26Å; E331-R369 IonicContact OE1-CZ 2.61Å; E331-R369 PolarHBondContact OE1-N 3.4Å; E331-R369 IonicContact OE1-NE 2.69Å; E331-R369 PolarHBondContact OE1-NE 3.28Å; E331-R369 IonicContact OE1-NH2 3.38Å; E331-R369 PolarHBondContact OE1-NH2 2.91Å
332D49.9Very low63.1Low104 Ų10461.8 Ų61.856%0.55632%0.32SS*.THydrogen-bonded Turntrans-75.1-9.6168.2-64.6-37.6000113.7A330 I334 S416A330-D332 PolarHBondContact O-N 3.35Å; A330-D332 VanDerWaalsContact O-N 3.16Å; D332-I334 PolarHBondContact O-N 3.06Å; D332-I334 VanDerWaalsContact O-N 3.08Å; D332-S416 WeakPolarHBondContact OD1-CA 3.41Å; D332-S416 WeakPolarHBondContact OD1-CB 3.43Å
333E48.3Very low61.8Low123 Ų12363 Ų6358%0.57533%0.327SS*.SBendtrans-60.2116.7167.5-84.4-156.5165.100109.5A330 E331 E335 K647A330-E333 PolarHBondContact O-N 2.84Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E333-E335 PolarHBondContact O-N 3.46Å; E333-K647 IonicContact OE2-NZ 2.84Å; E333-K647 PolarHBondContact OE2-NZ 2.69Å
334I47.7Very low60.5Low122 Ų12261.9 Ų61.963%0.62632%0.321SS*.  trans-69.580.7174-54.3174.2000108.6D332 D336D332-I334 PolarHBondContact O-N 3.06Å; D332-I334 VanDerWaalsContact O-N 3.08Å; I334-D336 PolarHBondContact O-N 3.5Å
335E51.7Low59.3Low52 Ų5262.3 Ų62.324%0.24332%0.322CS..  trans-60.1120.7171.1-172.4162.8-120.700108.8E333 T337 K420E333-E335 PolarHBondContact O-N 3.46Å; E335-T337 PolarHBondContact O-N 2.83Å; E335-K420 IonicContact OE2-NZ 2.64Å; E335-K420 PolarHBondContact OE2-NZ 2.85Å
336D49.3Very low58.4Low39 Ų3966.9 Ų66.921%0.20934%0.344CS..  trans-81.685.2-162.9-154.4-15.6000112.2I334 R338 E339I334-D336 PolarHBondContact O-N 3.5Å; D336-R338 VanDerWaalsContact CG-NE 3.25Å; D336-R338 PolarHBondContact O-N 2.89Å; D336-R338 VanDerWaalsContact OD1-CB 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.42Å; D336-R338 WeakPolarHBondContact OD1-CG 3.33Å; D336-R338 IonicContact OD1-CZ 2.66Å; D336-R338 PolarHBondContact OD1-N 2.86Å; D336-R338 IonicContact OD1-NE 3.23Å; D336-R338 PolarHBondContact OD1-NE 3.41Å; D336-R338 IonicContact OD1-NH2 3.62Å; D336-R338 PolarHBondContact OD1-NH2 2.94Å; D336-R338 IonicContact OD2-CZ 3.87Å; D336-R338 IonicContact OD2-NE 2.69Å; D336-R338 PolarHBondContact OD2-NE 3.14Å; D336-R338 IonicContact OD2-NH2 2.7Å; D336-R338 PolarHBondContact OD2-NH2 3.47Å; D336-E339 PolarHBondContact O-N 2.83Å
337T50.4Low57.5Low19 Ų1965.8 Ų65.812%0.11734%0.34CS..THydrogen-bonded Turntrans-45.3-19.5172.8530000114.5E335 E339 H340 G341 T536E335-T337 PolarHBondContact O-N 2.83Å; T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.54Å; T337-H340 CarbonylContact O-C 3.56Å; T337-H340 PolarHBondContact O-N 3.27Å; T337-G341 PolarHBondContact O-N 3.05Å; T337-T536 PolarHBondContact OG1-O 2.85Å
338R50.3Low57.2Low60 Ų6061.5 Ų61.523%0.22632%0.317CS..THydrogen-bonded Turntrans-57.8-36.2172.2-73.5176.4-82.2-141.6-8.4113.8I138 D336 H340 G341I138-R338 VanDerWaalsContact CD1-NH1 3.26Å; D336-R338 VanDerWaalsContact CG-NE 3.25Å; D336-R338 PolarHBondContact O-N 2.89Å; D336-R338 VanDerWaalsContact OD1-CB 3.29Å; D336-R338 WeakPolarHBondContact OD1-CB 3.42Å; D336-R338 WeakPolarHBondContact OD1-CG 3.33Å; D336-R338 IonicContact OD1-CZ 2.66Å; D336-R338 PolarHBondContact OD1-N 2.86Å; D336-R338 IonicContact OD1-NE 3.23Å; D336-R338 PolarHBondContact OD1-NE 3.41Å; D336-R338 IonicContact OD1-NH2 3.62Å; D336-R338 PolarHBondContact OD1-NH2 2.94Å; D336-R338 IonicContact OD2-CZ 3.87Å; D336-R338 IonicContact OD2-NE 2.69Å; D336-R338 PolarHBondContact OD2-NE 3.14Å; D336-R338 IonicContact OD2-NH2 2.7Å; D336-R338 PolarHBondContact OD2-NH2 3.47Å; R338-H340 PolarHBondContact O-N 2.9Å; R338-G341 PolarHBondContact O-N 3.16Å; R338-G341 VanDerWaalsContact O-N 3.11Å
339E55.9Low57.3Low154 Ų15461.8 Ų61.872%0.7232%0.324SS*.THydrogen-bonded Turntrans-58.3-37177.4-67.6-169.9160.900111.5D336 T337D336-E339 PolarHBondContact O-N 2.83Å; T337-E339 VanDerWaalsContact C-N 3.32Å; T337-E339 PolarHBondContact O-N 2.54Å
340H61.3Low57.8Low53 Ų5361.3 Ų61.325%0.24532%0.322CS..THydrogen-bonded Turntrans-99.34.9-179.4-61.685.2000113.6T337 R338 N342 L343 I344 Y365T337-H340 CarbonylContact O-C 3.56Å; T337-H340 PolarHBondContact O-N 3.27Å; R338-H340 PolarHBondContact O-N 2.9Å; H340-N342 PolarHBondContact O-N 3.14Å; H340-N342 VanDerWaalsContact O-N 3.11Å; H340-L343 WeakPolarHBondContact O-CB 3.11Å; H340-L343 PolarHBondContact O-N 3.14Å; H340-I344 PolarHBondContact O-N 3.47Å; H340-Y365 HydrophobicContact CB-CD1 3.87Å; H340-Y365 HydrophobicContact CB-CD2 4.29Å; H340-Y365 HydrophobicContact CB-CE1 3.32Å; H340-Y365 HydrophobicContact CB-CE2 3.81Å; H340-Y365 HydrophobicContact CB-CG 4.33Å; H340-Y365 AromaticContact CD2-CD1 3.5Å; H340-Y365 AromaticContact CD2-CE1 3.53Å; H340-Y365 AromaticContact CG-CD1 3.54Å; H340-Y365 AromaticContact CG-CE1 3.49Å; H340-Y365 VanDerWaalsContact CG-CE1 3.49Å; H340-Y365 AromaticContact CG-CZ 3.97Å
341G57.9Low58.8Low15 Ų1559 Ų5916%0.15530%0.301CS..Hα-helixtrans-59-28.9-172.300000114.1T337 R338 L343 I344 V345T337-G341 PolarHBondContact O-N 3.05Å; R338-G341 PolarHBondContact O-N 3.16Å; R338-G341 VanDerWaalsContact O-N 3.11Å; G341-L343 PolarHBondContact O-N 2.75Å; G341-I344 PolarHBondContact O-N 3.2Å; G341-V345 VanDerWaalsContact O-CG2 3.31Å; G341-V345 WeakPolarHBondContact O-CG2 3.3Å; G341-V345 PolarHBondContact O-N 3.11Å
342N61.5Low59.7Low53 Ų5360.5 Ų60.528%0.28331%0.314SS..Hα-helixtrans-57.3-46.7171-76.3-54.6000112.9Q182 H340 V345 H346Q182-N342 WeakPolarHBondContact CB-OD1 3.31Å; Q182-N342 WeakPolarHBondContact CG-OD1 3.37Å; Q182-N342 PolarHBondContact NE2-ND2 2.82Å; Q182-N342 PolarHBondContact OE1-OD1 3.41Å; H340-N342 PolarHBondContact O-N 3.14Å; H340-N342 VanDerWaalsContact O-N 3.11Å; N342-V345 PolarHBondContact O-N 3.48Å; N342-H346 WeakPolarHBondContact O-CB 3.36Å; N342-H346 PolarHBondContact O-N 3.45Å
343L64.3Low60.8Low40 Ų4056.7 Ų56.721%0.20929%0.294CS..Hα-helixtrans-68.3-40.5-177.4-172.162.5000109.4H340 G341 H346 L347 P363 Y365H340-L343 WeakPolarHBondContact O-CB 3.11Å; H340-L343 PolarHBondContact O-N 3.14Å; G341-L343 PolarHBondContact O-N 2.75Å; L343-H346 PolarHBondContact O-N 3.08Å; L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.17Å; L343-L347 HydrophobicContact CD2-CD1 4.5Å; L343-L347 HydrophobicContact CG-CD1 3.78Å; L343-L347 HydrophobicContact CG-CG 4.29Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.6Å; L343-P363 HydrophobicContact CD2-CB 4.38Å; L343-P363 HydrophobicContact CD2-CG 4.11Å; L343-P363 HydrophobicContact CG-CG 4.38Å; L343-Y365 HydrophobicContact CD2-CE1 4.36Å
344I64.9Low61.9Low22 Ų2252.9 Ų52.911%0.11329%0.288CS..Hα-helixtrans-56.8-53.8171-52.7-179.7000110.7H340 G341 H346 L347 L348 Y365 L535H340-I344 PolarHBondContact O-N 3.47Å; G341-I344 PolarHBondContact O-N 3.2Å; I344-H346 VanDerWaalsContact C-N 3.3Å; I344-H346 PolarHBondContact O-N 2.94Å; I344-L347 PolarHBondContact O-N 2.84Å; I344-L348 HydrophobicContact CG2-CD1 3.59Å; I344-L348 HydrophobicContact CG2-CG 3.94Å; I344-L348 WeakPolarHBondContact O-CB 3.46Å; I344-L348 VanDerWaalsContact O-CG 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.48Å; I344-L348 PolarHBondContact O-N 2.89Å; I344-Y365 HydrophobicContact CD1-CE2 4.19Å; I344-Y365 HydrophobicContact CG1-CE2 4.29Å; I344-Y365 WeakPolarHBondContact CG1-OH 3.32Å; I344-L535 HydrophobicContact CG2-CD2 4.34Å
345V65.3Low63.3Low39 Ų3950.5 Ų50.524%0.23628%0.275CS..Hα-helixtrans-61.6-38.5-177.11710000111.5V179 G341 N342 S349 L535V179-V345 HydrophobicContact CG1-CG1 4.22Å; V179-V345 HydrophobicContact CG1-CG2 4.02Å; V179-V345 HydrophobicContact CG2-CG2 4.35Å; G341-V345 VanDerWaalsContact O-CG2 3.31Å; G341-V345 WeakPolarHBondContact O-CG2 3.3Å; G341-V345 PolarHBondContact O-N 3.11Å; N342-V345 PolarHBondContact O-N 3.48Å; V345-S349 VanDerWaalsContact O-CB 3.28Å; V345-S349 WeakPolarHBondContact O-CB 3.5Å; V345-S349 PolarHBondContact O-N 2.99Å; V345-S349 PolarHBondContact O-OG 2.9Å; V345-L535 HydrophobicContact CG2-CD2 4.06Å
346H66.2Low64.5Low96 Ų9651.6 Ų51.644%0.44428%0.282SS..Hα-helixtrans-67.5-51.2176.3-176.340.3000111.9N342 L343 I344 S349N342-H346 WeakPolarHBondContact O-CB 3.36Å; N342-H346 PolarHBondContact O-N 3.45Å; L343-H346 PolarHBondContact O-N 3.08Å; I344-H346 VanDerWaalsContact C-N 3.3Å; I344-H346 PolarHBondContact O-N 2.94Å; H346-S349 WeakPolarHBondContact O-CB 3.35Å; H346-S349 PolarHBondContact O-N 3.27Å; H346-S349 VanDerWaalsContact O-N 3.13Å; H346-S349 PolarHBondContact O-OG 3.36Å
347L67.7Low65.8Low9 Ų950.4 Ų50.45%0.04728%0.276CS..Hα-helixtrans-60.5-48.9-179.6-73.5176.2000111.9I269 L343 I344 S349 Q350 F360 P363I269-L347 HydrophobicContact CD1-CD2 3.98Å; L343-L347 HydrophobicContact CD1-CD1 4.09Å; L343-L347 HydrophobicContact CD1-CG 4.17Å; L343-L347 HydrophobicContact CD2-CD1 4.5Å; L343-L347 HydrophobicContact CG-CD1 3.78Å; L343-L347 HydrophobicContact CG-CG 4.29Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 2.6Å; I344-L347 PolarHBondContact O-N 2.84Å; L347-S349 PolarHBondContact O-N 3.42Å; L347-Q350 WeakPolarHBondContact O-CB 3.41Å; L347-Q350 PolarHBondContact O-N 2.81Å; L347-F360 HydrophobicContact CB-CE1 3.96Å; L347-F360 HydrophobicContact CB-CZ 3.64Å; L347-F360 HydrophobicContact CD2-CE1 4.39Å; L347-F360 HydrophobicContact CD2-CE2 4.39Å; L347-F360 HydrophobicContact CD2-CZ 3.64Å; L347-F360 HydrophobicContact CG-CZ 4.14Å; L347-P363 HydrophobicContact CD1-CG 3.41Å; L347-P363 VanDerWaalsContact CD1-CG 3.41Å
348L67.6Low66.6Low18 Ų1852.6 Ų52.69%0.09429%0.29CS..Hα-helixtrans-67.1-21.3177.5-60.6-173.2000112.8I344 Q350 L351 F498 I534 L535I344-L348 HydrophobicContact CG2-CD1 3.59Å; I344-L348 HydrophobicContact CG2-CG 3.94Å; I344-L348 WeakPolarHBondContact O-CB 3.46Å; I344-L348 VanDerWaalsContact O-CG 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.48Å; I344-L348 PolarHBondContact O-N 2.89Å; L348-Q350 PolarHBondContact O-N 3.3Å; L348-L351 HydrophobicContact CD2-CD1 3.57Å; L348-L351 PolarHBondContact O-N 3.44Å; L348-F498 HydrophobicContact CB-CE2 4.38Å; L348-F498 HydrophobicContact CB-CZ 4.2Å; L348-F498 HydrophobicContact CD1-CE2 4.32Å; L348-F498 HydrophobicContact CD2-CD2 4.44Å; L348-F498 HydrophobicContact CD2-CE2 3.84Å; L348-F498 HydrophobicContact CD2-CZ 4.46Å; L348-F498 HydrophobicContact CG-CE2 4.4Å; L348-I534 HydrophobicContact CD1-CB 4.4Å; L348-I534 HydrophobicContact CD1-CD1 3.62Å; L348-I534 HydrophobicContact CD1-CG1 3.76Å; L348-L535 HydrophobicContact CD1-CD2 3.81Å; L348-L535 HydrophobicContact CD1-CG 4.48Å
349S65.2Low67.3Low78 Ų7854.6 Ų54.655%0.54530%0.3SS..THydrogen-bonded Turntrans-75.8-5.4173.176.40000114.6V345 H346 L347V345-S349 VanDerWaalsContact O-CB 3.28Å; V345-S349 WeakPolarHBondContact O-CB 3.5Å; V345-S349 PolarHBondContact O-N 2.99Å; V345-S349 PolarHBondContact O-OG 2.9Å; H346-S349 WeakPolarHBondContact O-CB 3.35Å; H346-S349 PolarHBondContact O-N 3.27Å; H346-S349 VanDerWaalsContact O-N 3.13Å; H346-S349 PolarHBondContact O-OG 3.36Å; L347-S349 PolarHBondContact O-N 3.42Å
350Q68.4Low67.8Low81 Ų8148 Ų4838%0.37927%0.269SS..THydrogen-bonded Turntrans-91.2-13.2171.3-63.1162.7-30.600112.2L347 L348L347-Q350 WeakPolarHBondContact O-CB 3.41Å; L347-Q350 PolarHBondContact O-N 2.81Å; L348-Q350 PolarHBondContact O-N 3.3Å
351L70.1Confident68.1Low16 Ų1646.8 Ų46.88%0.08427%0.265CS..PPolyproline II helixtrans-94133.8-175.6-48.2-179.4000111.6L348 M355 L357 F360 F498L348-L351 HydrophobicContact CD2-CD1 3.57Å; L348-L351 PolarHBondContact O-N 3.44Å; L351-M355 HydrophobicContact CB-CE 4.07Å; L351-M355 HydrophobicContact CD2-CE 3.35Å; L351-M355 HydrophobicContact CG-CE 4.29Å; L351-L357 HydrophobicContact CD1-CD2 3.85Å; L351-F360 HydrophobicContact CD1-CD1 4.48Å; L351-F360 HydrophobicContact CD1-CE1 4.47Å; L351-F360 HydrophobicContact CD2-CB 4.38Å; L351-F360 HydrophobicContact CD2-CD1 4Å; L351-F360 HydrophobicContact CD2-CD2 3.69Å; L351-F360 HydrophobicContact CD2-CE1 4.13Å; L351-F360 HydrophobicContact CD2-CE2 3.85Å; L351-F360 HydrophobicContact CD2-CG 3.75Å; L351-F360 HydrophobicContact CD2-CZ 4.04Å; L351-F498 HydrophobicContact CB-CD1 3.45Å; L351-F498 VanDerWaalsContact CB-CD1 3.45Å; L351-F498 HydrophobicContact CB-CE1 3.61Å; L351-F498 HydrophobicContact CB-CG 3.93Å; L351-F498 HydrophobicContact CB-CZ 4.23Å; L351-F498 HydrophobicContact CD1-CB 4.26Å; L351-F498 HydrophobicContact CD1-CD1 4.1Å; L351-F498 HydrophobicContact CD1-CD2 3.65Å; L351-F498 HydrophobicContact CD1-CE1 4.33Å; L351-F498 HydrophobicContact CD1-CE2 3.92Å; L351-F498 HydrophobicContact CD1-CG 3.75Å; L351-F498 HydrophobicContact CD1-CZ 4.23Å; L351-F498 HydrophobicContact CG-CD1 4.44Å
352T70.1Confident68.8Low78 Ų7847.3 Ų47.348%0.47926%0.264SS..PPolyproline II helixtrans-88.2150.1165.651.40000110.9G354 M355 F498T352-G354 PolarHBondContact O-N 3.01Å; T352-M355 WeakPolarHBondContact O-CB 3.4Å; T352-M355 PolarHBondContact O-N 2.86Å; T352-M355 VanDerWaalsContact O-N 3.16Å; T352-F498 WeakPolarHBondContact O-CD1 3.37Å
353V73.1Confident69.3Low23 Ų2345.8 Ų45.814%0.13926%0.257CS..THydrogen-bonded Turntrans-72.3133.7-176.3-169.70000109.9V54 L56 E91 F498V54-V353 HydrophobicContact CB-CG2 4.42Å; L56-V353 HydrophobicContact CB-CG1 4.19Å; L56-V353 HydrophobicContact CD1-CG1 3.79Å; L56-V353 HydrophobicContact CG-CG1 3.67Å; E91-V353 WeakPolarHBondContact OE1-CG2 3.42Å; E91-V353 PolarHBondContact OE1-N 3.01Å; V353-F498 HydrophobicContact CG2-CE1 4.44Å
354G71.1Confident70.1Confident44 Ų4444 Ų4445%0.45425%0.248SC..THydrogen-bonded Turntrans90.5-7.5-170.500000114.7T352 F498T352-G354 PolarHBondContact O-N 3.01Å; G354-F498 PolarHBondContact N-O 3.18Å
355M77Confident70.6Confident71 Ų7143.4 Ų43.435%0.3525%0.245SC..  trans-66.8143.4-179.5-166.5167.777.500112.6L351 T352 F498L351-M355 HydrophobicContact CB-CE 4.07Å; L351-M355 HydrophobicContact CD2-CE 3.35Å; L351-M355 HydrophobicContact CG-CE 4.29Å; T352-M355 WeakPolarHBondContact O-CB 3.4Å; T352-M355 PolarHBondContact O-N 2.86Å; T352-M355 VanDerWaalsContact O-N 3.16Å; M355-F498 PolarHBondContact O-N 3.4Å
356D77.8Confident71.3Confident75 Ų7543.1 Ų43.140%0.40124%0.241SC..BIsolated β-bridgetrans-69.9127.3173.1-174.8-0.2000110.6T358 S496D356-T358 VanDerWaalsContact C-N 3.31Å; D356-T358 VanDerWaalsContact OD1-CG2 3.3Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.46Å; D356-T358 PolarHBondContact OD1-N 2.85Å; D356-T358 PolarHBondContact OD1-OG1 3.42Å; D356-T358 VanDerWaalsContact OD1-OG1 3.14Å; D356-T358 PolarHBondContact OD2-OG1 2.76Å; D356-S496 WeakPolarHBondContact CA-O 3.48Å
357L74.8Confident72.2Confident15 Ų1539 Ų398%0.07922%0.223CC..G310 helixtrans-81.4-5.5179.9-69.8163.9000113.4L351 K359 F360 S496 K497 F498 M503L351-L357 HydrophobicContact CD1-CD2 3.85Å; L357-K359 PolarHBondContact O-N 3.07Å; L357-F360 PolarHBondContact O-N 2.85Å; L357-S496 PolarHBondContact N-O 2.99Å; L357-K497 VanDerWaalsContact CD1-C 3.42Å; L357-K497 WeakPolarHBondContact CD1-O 3.49Å; L357-F498 HydrophobicContact CD2-CB 4.04Å; L357-F498 HydrophobicContact CG-CB 4.24Å; L357-M503 HydrophobicContact CD1-CB 3.92Å; L357-M503 HydrophobicContact CD1-CE 3.64Å; L357-M503 HydrophobicContact CD1-CG 3.93Å; L357-M503 HydrophobicContact CD2-CE 4.16Å
358T69.1Low73.1Confident65 Ų6538.8 Ų38.840%0.39922%0.221SC..G310 helixtrans-58.1-37.6175.754.60000112.4D356 F360D356-T358 VanDerWaalsContact C-N 3.31Å; D356-T358 VanDerWaalsContact OD1-CG2 3.3Å; D356-T358 WeakPolarHBondContact OD1-CG2 3.46Å; D356-T358 PolarHBondContact OD1-N 2.85Å; D356-T358 PolarHBondContact OD1-OG1 3.42Å; D356-T358 VanDerWaalsContact OD1-OG1 3.14Å; D356-T358 PolarHBondContact OD2-OG1 2.76Å; T358-F360 PolarHBondContact O-N 3.39Å
359K64Low74.2Confident101 Ų10139.4 Ų39.444%0.43922%0.222SC..G310 helixtrans-80.311.9-179.4-56-165.4173.6-167.80113.8E258 L357E258-K359 IonicContact OE1-NZ 3.23Å; E258-K359 PolarHBondContact OE1-NZ 2.88Å; E258-K359 IonicContact OE2-NZ 2.78Å; E258-K359 PolarHBondContact OE2-NZ 3.02Å; L357-K359 PolarHBondContact O-N 3.07Å
360F66.8Low75.5Confident16 Ų1637.3 Ų37.37%0.0720%0.202CC..  trans-133120.4-172.1-163.1-106.7000114.1E265 L347 L351 L357 T358 L362E265-F360 WeakPolarHBondContact OE2-CE2 3.35Å; L347-F360 HydrophobicContact CB-CE1 3.96Å; L347-F360 HydrophobicContact CB-CZ 3.64Å; L347-F360 HydrophobicContact CD2-CE1 4.39Å; L347-F360 HydrophobicContact CD2-CE2 4.39Å; L347-F360 HydrophobicContact CD2-CZ 3.64Å; L347-F360 HydrophobicContact CG-CZ 4.14Å; L351-F360 HydrophobicContact CD1-CD1 4.48Å; L351-F360 HydrophobicContact CD1-CE1 4.47Å; L351-F360 HydrophobicContact CD2-CB 4.38Å; L351-F360 HydrophobicContact CD2-CD1 4Å; L351-F360 HydrophobicContact CD2-CD2 3.69Å; L351-F360 HydrophobicContact CD2-CE1 4.13Å; L351-F360 HydrophobicContact CD2-CE2 3.85Å; L351-F360 HydrophobicContact CD2-CG 3.75Å; L351-F360 HydrophobicContact CD2-CZ 4.04Å; L357-F360 PolarHBondContact O-N 2.85Å; T358-F360 PolarHBondContact O-N 3.39Å; F360-L362 HydrophobicContact CD1-CD2 4.02Å; F360-L362 HydrophobicContact CE1-CD2 4.29Å; F360-L362 PolarHBondContact O-N 3.31Å
361T66.6Low76.8Confident27 Ų2733.5 Ų33.517%0.16619%0.185CC..  trans-88.9101.7-179.5-62.20000112.1D262 Q266D262-T361 WeakPolarHBondContact O-CB 3.24Å; D262-T361 PolarHBondContact O-OG1 2.81Å; Q266-T361 HydrophobicContact CG-CG2 4.11Å; Q266-T361 VanDerWaalsContact NE2-CG2 3.33Å
362L72.7Confident77.9Confident26 Ų2633.9 Ų33.914%0.13619%0.187CC..  trans-63149.7173.8-58.5163.9000112.2F360 I366 K421 M503F360-L362 HydrophobicContact CD1-CD2 4.02Å; F360-L362 HydrophobicContact CE1-CD2 4.29Å; F360-L362 PolarHBondContact O-N 3.31Å; L362-I366 HydrophobicContact CB-CD1 3.74Å; L362-I366 HydrophobicContact CB-CG1 4.16Å; L362-I366 HydrophobicContact CD1-CD1 3.83Å; L362-I366 HydrophobicContact CG-CD1 4.29Å; L362-K421 HydrophobicContact CD1-CD 3.95Å; L362-M503 HydrophobicContact CD1-CE 3.6Å; L362-M503 HydrophobicContact CD2-CE 3.69Å; L362-M503 HydrophobicContact CG-CE 4.28Å
363P73.1Confident79.1Confident22 Ų2230.2 Ų30.214%0.14316%0.164CC..  trans-61.5157.2179.7-26.437.2000114.8L343 L347 Y365 I366L343-P363 HydrophobicContact CD2-CB 4.38Å; L343-P363 HydrophobicContact CD2-CG 4.11Å; L343-P363 HydrophobicContact CG-CG 4.38Å; L347-P363 HydrophobicContact CD1-CG 3.41Å; L347-P363 VanDerWaalsContact CD1-CG 3.41Å; P363-Y365 HydrophobicContact CB-CD1 3.82Å; P363-Y365 HydrophobicContact CB-CE1 3.22Å; P363-Y365 HydrophobicContact CB-CE2 4.35Å; P363-Y365 HydrophobicContact CG-CE1 3.97Å; P363-I366 WeakPolarHBondContact O-CG1 3.47Å; P363-I366 PolarHBondContact O-N 3.24Å
364T80.7Confident80.2Confident3 Ų329.5 Ų29.52%0.01816%0.159CC..G310 helixtrans-73.8-28.6-174.841.90000115.1I366 L367 L644 V649 A652 T653 K656T364-I366 PolarHBondContact O-N 2.87Å; T364-L367 HydrophobicContact CG2-CD1 3.99Å; T364-L367 WeakPolarHBondContact O-CB 3.16Å; T364-L367 VanDerWaalsContact O-CG 3.24Å; T364-L367 WeakPolarHBondContact O-CG 3.21Å; T364-L367 PolarHBondContact O-N 2.89Å; T364-L644 WeakPolarHBondContact O-CD2 3.46Å; T364-V649 WeakPolarHBondContact OG1-CG1 3.27Å; T364-V649 PolarHBondContact OG1-O 3.5Å; T364-A652 HydrophobicContact CG2-CB 4.44Å; T364-T653 WeakPolarHBondContact CG2-OG1 3.44Å; T364-T653 PolarHBondContact OG1-OG1 3.06Å; T364-K656 HydrophobicContact CG2-CB 4.45Å; T364-K656 HydrophobicContact CG2-CD 3.84Å
365Y75.8Confident81.2Confident9 Ų928.8 Ų28.84%0.03515%0.145CC..G310 helixtrans-68.6-16.7177.159.2-97.3000113.9H340 L343 I344 P363 L367 V649H340-Y365 HydrophobicContact CB-CD1 3.87Å; H340-Y365 HydrophobicContact CB-CD2 4.29Å; H340-Y365 HydrophobicContact CB-CE1 3.32Å; H340-Y365 HydrophobicContact CB-CE2 3.81Å; H340-Y365 HydrophobicContact CB-CG 4.33Å; H340-Y365 AromaticContact CD2-CD1 3.5Å; H340-Y365 AromaticContact CD2-CE1 3.53Å; H340-Y365 AromaticContact CG-CD1 3.54Å; H340-Y365 AromaticContact CG-CE1 3.49Å; H340-Y365 VanDerWaalsContact CG-CE1 3.49Å; H340-Y365 AromaticContact CG-CZ 3.97Å; L343-Y365 HydrophobicContact CD2-CE1 4.36Å; I344-Y365 HydrophobicContact CD1-CE2 4.19Å; I344-Y365 HydrophobicContact CG1-CE2 4.29Å; I344-Y365 WeakPolarHBondContact CG1-OH 3.32Å; P363-Y365 HydrophobicContact CB-CD1 3.82Å; P363-Y365 HydrophobicContact CB-CE1 3.22Å; P363-Y365 HydrophobicContact CB-CE2 4.35Å; P363-Y365 HydrophobicContact CG-CE1 3.97Å; Y365-L367 PolarHBondContact O-N 2.97Å; Y365-V649 HydrophobicContact CD1-CG1 3.98Å
366I78.7Confident82.1Confident33 Ų3325.6 Ų25.617%0.16913%0.129CC..G310 helixtrans-80.42.3171.474.4131.2000112.5L362 P363 T364 K420 K421L362-I366 HydrophobicContact CB-CD1 3.74Å; L362-I366 HydrophobicContact CB-CG1 4.16Å; L362-I366 HydrophobicContact CD1-CD1 3.83Å; L362-I366 HydrophobicContact CG-CD1 4.29Å; P363-I366 WeakPolarHBondContact O-CG1 3.47Å; P363-I366 PolarHBondContact O-N 3.24Å; T364-I366 PolarHBondContact O-N 2.87Å; I366-K420 CarbonylContact O-C 3.57Å; I366-K420 VanDerWaalsContact O-CA 3.23Å; I366-K420 WeakPolarHBondContact O-CA 3.37Å; I366-K420 WeakPolarHBondContact O-CB 3.39Å; I366-K421 HydrophobicContact CD1-CB 3.97Å; I366-K421 PolarHBondContact O-N 2.82Å
367L86.2Confident82.9Confident9 Ų922 Ų225%0.04711%0.11CC..EExtended strand (participates in β ladder)trans-87.6142.7-178.9-56.1171.8000111.8T364 Y365 K420 K421 Y423 L644 K656T364-L367 HydrophobicContact CG2-CD1 3.99Å; T364-L367 WeakPolarHBondContact O-CB 3.16Å; T364-L367 VanDerWaalsContact O-CG 3.24Å; T364-L367 WeakPolarHBondContact O-CG 3.21Å; T364-L367 PolarHBondContact O-N 2.89Å; Y365-L367 PolarHBondContact O-N 2.97Å; L367-K420 WeakPolarHBondContact O-CD 3.13Å; L367-K420 PolarHBondContact O-NZ 3.21Å; L367-K421 VanDerWaalsContact CA-O 3.23Å; L367-K421 WeakPolarHBondContact CA-O 3.3Å; L367-K421 HydrophobicContact CD2-CB 4.32Å; L367-K421 VanDerWaalsContact CD2-O 3.32Å; L367-K421 WeakPolarHBondContact CD2-O 3.38Å; L367-Y423 HydrophobicContact CB-CD1 4.36Å; L367-Y423 HydrophobicContact CB-CE1 4.12Å; L367-Y423 HydrophobicContact CD1-CD1 4.05Å; L367-Y423 HydrophobicContact CD1-CE1 4.11Å; L367-L644 HydrophobicContact CB-CD1 3.94Å; L367-K656 HydrophobicContact CD1-CD 4.09Å
368E86.4Confident83.8Confident4 Ų421.7 Ų21.72%0.01911%0.108CC..EExtended strand (participates in β ladder)trans-90152163.948.1-176.7-132.500109E331 R370 R414 K420 K421 P422E331-E368 WeakPolarHBondContact OE2-CB 3.38Å; E368-R370 HydrophobicContact CG-CG 4.19Å; E368-R370 PolarHBondContact O-N 2.88Å; E368-R370 IonicContact OE1-CZ 3.27Å; E368-R370 VanDerWaalsContact OE1-CZ 3.23Å; E368-R370 IonicContact OE1-NE 2.92Å; E368-R370 PolarHBondContact OE1-NE 3.11Å; E368-R370 IonicContact OE1-NH2 2.88Å; E368-R370 PolarHBondContact OE1-NH2 2.87Å; E368-R370 IonicContact OE2-NH2 2.8Å; E368-R370 PolarHBondContact OE2-NH2 2.85Å; E368-R370 VanDerWaalsContact OE2-NH2 3.09Å; E368-R414 IonicContact OE2-CZ 3.74Å; E368-R414 IonicContact OE2-NH1 3.64Å; E368-R414 PolarHBondContact OE2-NH1 3.37Å; E368-R414 IonicContact OE2-NH2 2.65Å; E368-K420 HydrophobicContact CB-CB 3.83Å; E368-K420 HydrophobicContact CG-CB 4.25Å; E368-K421 PolarHBondContact N-O 2.82Å; E368-K421 VanDerWaalsContact N-O 3.14Å; E368-P422 HydrophobicContact CG-CB 4.17Å; E368-P422 WeakPolarHBondContact OE1-CB 3.36Å
369R91.2Very high85Confident31 Ų3119.8 Ų19.812%0.1179%0.094CC..EExtended strand (participates in β ladder)trans-76.333.2-168.6-70174.3-65.8151.3-4.8115A325 Y326 D328 E331 T641 L644A325-R369 PolarHBondContact O-NH1 3.21Å; Y326-R369 VanDerWaalsContact CE1-O 3.3Å; Y326-R369 WeakPolarHBondContact CE1-O 3.41Å; D328-R369 PolarHBondContact O-NH2 3.42Å; E331-R369 WeakPolarHBondContact OE1-CB 3.4Å; E331-R369 WeakPolarHBondContact OE1-CG 3.26Å; E331-R369 IonicContact OE1-CZ 2.61Å; E331-R369 PolarHBondContact OE1-N 3.4Å; E331-R369 IonicContact OE1-NE 2.69Å; E331-R369 PolarHBondContact OE1-NE 3.28Å; E331-R369 IonicContact OE1-NH2 3.38Å; E331-R369 PolarHBondContact OE1-NH2 2.91Å; R369-T641 HydrophobicContact CB-CG2 3.8Å; R369-T641 HydrophobicContact CG-CG2 4.14Å; R369-L644 HydrophobicContact CG-CB 4.17Å
370R92.2Very high86.5Confident34 Ų3415 Ų1513%0.1287%0.073CC..EExtended strand (participates in β ladder)trans-144155.5-176.465.5177.6178.5-152.8-21.9112.5E368 E374 D378 G413 P422 Y423E368-R370 HydrophobicContact CG-CG 4.19Å; E368-R370 PolarHBondContact O-N 2.88Å; E368-R370 IonicContact OE1-CZ 3.27Å; E368-R370 VanDerWaalsContact OE1-CZ 3.23Å; E368-R370 IonicContact OE1-NE 2.92Å; E368-R370 PolarHBondContact OE1-NE 3.11Å; E368-R370 IonicContact OE1-NH2 2.88Å; E368-R370 PolarHBondContact OE1-NH2 2.87Å; E368-R370 IonicContact OE2-NH2 2.8Å; E368-R370 PolarHBondContact OE2-NH2 2.85Å; E368-R370 VanDerWaalsContact OE2-NH2 3.09Å; R370-E374 HydrophobicContact CB-CB 4.11Å; R370-E374 HydrophobicContact CB-CG 4.02Å; R370-D378 IonicContact CZ-OD2 3Å; R370-D378 IonicContact NH1-OD2 3.42Å; R370-D378 PolarHBondContact NH1-OD2 3.14Å; R370-G413 PolarHBondContact NH1-O 2.96Å; R370-G413 PolarHBondContact NH2-O 2.83Å; R370-P422 WeakPolarHBondContact O-CA 3.36Å; R370-P422 WeakPolarHBondContact O-CB 3.37Å; R370-Y423 VanDerWaalsContact O-CD2 3.31Å; R370-Y423 WeakPolarHBondContact O-CD2 3.32Å; R370-Y423 PolarHBondContact O-N 3.49Å
371S94.6Very high87.6Confident2 Ų214.3 Ų14.31%0.0147%0.07CC..EExtended strand (participates in β ladder)trans-76.6163.5170.172.80000111.5L373 E374 M375 E429 S633S371-L373 PolarHBondContact O-N 3.23Å; S371-L373 PolarHBondContact OG-N 3.1Å; S371-E374 PolarHBondContact O-N 2.89Å; S371-E374 VanDerWaalsContact O-N 3.16Å; S371-E374 PolarHBondContact OG-N 3.21Å; S371-M375 PolarHBondContact O-N 3.11Å; S371-E429 WeakPolarHBondContact CB-OE1 3.23Å; S371-E429 PolarHBondContact OG-OE1 2.99Å; S371-S633 VanDerWaalsContact OG-CB 3.22Å; S371-S633 WeakPolarHBondContact OG-CB 3.24Å; S371-S633 PolarHBondContact OG-OG 2.65Å
372L93.6Very high88.9Confident23 Ų2313.5 Ų13.512%0.127%0.065CC..Hα-helixtrans-60.8-31173.3-172.167.7000111.9M375 Y376 P422 Y423 P425L372-M375 HydrophobicContact CD1-CE 3.58Å; L372-M375 HydrophobicContact CD1-SD 4.25Å; L372-M375 WeakPolarHBondContact O-CB 3.09Å; L372-M375 PolarHBondContact O-N 2.86Å; L372-Y376 HydrophobicContact CD1-CE1 4.27Å; L372-Y376 HydrophobicContact CD1-CE2 4.28Å; L372-Y376 HydrophobicContact CD2-CE2 4.01Å; L372-Y376 HydrophobicContact CG-CD2 4.36Å; L372-Y376 HydrophobicContact CG-CE1 4.47Å; L372-Y376 HydrophobicContact CG-CE2 3.61Å; L372-Y376 VanDerWaalsContact O-CD2 3.25Å; L372-Y376 WeakPolarHBondContact O-CD2 3.3Å; L372-Y376 PolarHBondContact O-N 3.25Å; L372-P422 HydrophobicContact CB-CB 4.35Å; L372-P422 HydrophobicContact CB-CG 4.2Å; L372-P422 HydrophobicContact CD1-CG 3.61Å; L372-Y423 PolarHBondContact N-O 2.89Å; L372-Y423 VanDerWaalsContact N-O 3.08Å; L372-P425 HydrophobicContact CB-CG 3.63Å
373L96.4Very high89.9Confident1 Ų112.5 Ų12.51%0.0056%0.06CC..Hα-helixtrans-66.8-39.5175.2-55.1-178.5000112.1S371 Y376 A377 P425 E429 F431S371-L373 PolarHBondContact O-N 3.23Å; S371-L373 PolarHBondContact OG-N 3.1Å; L373-Y376 PolarHBondContact O-N 3.2Å; L373-A377 PolarHBondContact O-N 2.73Å; L373-P425 HydrophobicContact CD1-CB 4.33Å; L373-P425 HydrophobicContact CD2-CG 4.34Å; L373-P425 HydrophobicContact CG-CB 4.13Å; L373-P425 HydrophobicContact CG-CG 3.9Å; L373-E429 HydrophobicContact CD1-CB 4.36Å; L373-E429 HydrophobicContact CD1-CG 4.07Å; L373-E429 VanDerWaalsContact CD1-O 3.29Å; L373-E429 WeakPolarHBondContact CD1-O 3.37Å; L373-F431 HydrophobicContact CB-CB 3.68Å
374E95.6Very high90.8Very high8 Ų814.6 Ų14.64%0.0377%0.07CC..Hα-helixtrans-71.4-32.3173.4176160.8-176.500112R370 S371 A377 F431 K620 R634R370-E374 HydrophobicContact CB-CB 4.11Å; R370-E374 HydrophobicContact CB-CG 4.02Å; S371-E374 PolarHBondContact O-N 2.89Å; S371-E374 VanDerWaalsContact O-N 3.16Å; S371-E374 PolarHBondContact OG-N 3.21Å; E374-A377 WeakPolarHBondContact O-CB 3.29Å; E374-A377 PolarHBondContact O-N 3.26Å; E374-F431 HydrophobicContact CB-CD1 4.08Å; E374-F431 HydrophobicContact CB-CD2 3.89Å; E374-F431 HydrophobicContact CB-CE1 3.95Å; E374-F431 HydrophobicContact CB-CE2 3.75Å; E374-F431 HydrophobicContact CB-CG 4.05Å; E374-F431 HydrophobicContact CB-CZ 3.78Å; E374-F431 HydrophobicContact CG-CD2 4.47Å; E374-F431 HydrophobicContact CG-CE1 3.92Å; E374-F431 HydrophobicContact CG-CE2 3.82Å; E374-F431 HydrophobicContact CG-CZ 3.51Å; E374-F431 VanDerWaalsContact OE2-CE2 3.3Å; E374-F431 WeakPolarHBondContact OE2-CE2 3.37Å; E374-K620 HydrophobicContact CG-CD 4.16Å; E374-K620 WeakPolarHBondContact O-CE 3.38Å; E374-K620 IonicContact OE1-NZ 2.71Å; E374-R634 IonicContact OE1-CZ 3.8Å; E374-R634 IonicContact OE1-NE 3.51Å; E374-R634 PolarHBondContact OE1-NE 3.15Å; E374-R634 IonicContact OE1-NH2 3.85Å; E374-R634 PolarHBondContact OE1-NH2 3.43Å; E374-R634 WeakPolarHBondContact OE2-CG 3.31Å; E374-R634 IonicContact OE2-CZ 2.7Å; E374-R634 IonicContact OE2-NE 3.73Å; E374-R634 PolarHBondContact OE2-NE 3.15Å; E374-R634 IonicContact OE2-NH2 3.92Å
375M93.1Very high91.5Very high29 Ų2915.5 Ų15.514%0.1437%0.074CC..Hα-helixtrans-62.8-39.7172.3-168.4-164.377.800111.8S371 L372 A377 D378 P422S371-M375 PolarHBondContact O-N 3.11Å; L372-M375 HydrophobicContact CD1-CE 3.58Å; L372-M375 HydrophobicContact CD1-SD 4.25Å; L372-M375 WeakPolarHBondContact O-CB 3.09Å; L372-M375 PolarHBondContact O-N 2.86Å; M375-A377 PolarHBondContact O-N 2.74Å; M375-D378 WeakPolarHBondContact O-CB 3.33Å; M375-D378 PolarHBondContact O-N 2.94Å; M375-D378 VanDerWaalsContact O-N 3.15Å; M375-P422 HydrophobicContact SD-CG 3.98Å
376Y94.9Very high92.5Very high4 Ų415 Ų152%0.0167%0.073CC..Hα-helixtrans-68.2-21.5175.4-63.6-40000113.5L372 L373 D378 F379 F463 I492L372-Y376 HydrophobicContact CD1-CE1 4.27Å; L372-Y376 HydrophobicContact CD1-CE2 4.28Å; L372-Y376 HydrophobicContact CD2-CE2 4.01Å; L372-Y376 HydrophobicContact CG-CD2 4.36Å; L372-Y376 HydrophobicContact CG-CE1 4.47Å; L372-Y376 HydrophobicContact CG-CE2 3.61Å; L372-Y376 VanDerWaalsContact O-CD2 3.25Å; L372-Y376 WeakPolarHBondContact O-CD2 3.3Å; L372-Y376 PolarHBondContact O-N 3.25Å; L373-Y376 PolarHBondContact O-N 3.2Å; Y376-D378 PolarHBondContact O-N 2.96Å; Y376-F379 HydrophobicContact CD1-CE1 4.32Å; Y376-F379 AromaticContact CD1-CE2 3.96Å; Y376-F379 HydrophobicContact CD1-CE2 3.96Å; Y376-F379 AromaticContact CD1-CZ 3.57Å; Y376-F379 HydrophobicContact CD1-CZ 3.57Å; Y376-F379 HydrophobicContact CE1-CZ 4.3Å; Y376-F379 HydrophobicContact CG-CE2 4.35Å; Y376-F379 HydrophobicContact CG-CZ 4.38Å; Y376-F379 WeakPolarHBondContact O-CB 3.39Å; Y376-F379 WeakPolarHBondContact O-CD2 3.48Å; Y376-F379 WeakPolarHBondContact O-CG 3.41Å; Y376-F379 PolarHBondContact O-N 3.08Å; Y376-F463 WeakPolarHBondContact O-CE2 3.29Å; Y376-I492 HydrophobicContact CD1-CD1 3.85Å; Y376-I492 HydrophobicContact CE1-CD1 3.37Å; Y376-I492 HydrophobicContact CE2-CB 4.43Å; Y376-I492 HydrophobicContact CE2-CD1 4.17Å; Y376-I492 HydrophobicContact CG-CD1 4.43Å; Y376-I492 VanDerWaalsContact OH-CG2 3.3Å; Y376-I492 WeakPolarHBondContact OH-CG2 3.45Å
377A95.4Very high93.3Very high0 Ų013.6 Ų13.60%07%0.066CC..Hα-helixtrans-67.2-21.9172.500000112.8L373 E374 M375 F379 M380 F431 Y435 F463 K620L373-A377 PolarHBondContact O-N 2.73Å; E374-A377 WeakPolarHBondContact O-CB 3.29Å; E374-A377 PolarHBondContact O-N 3.26Å; M375-A377 PolarHBondContact O-N 2.74Å; A377-F379 PolarHBondContact O-N 3.33Å; A377-F379 VanDerWaalsContact O-N 3.12Å; A377-M380 PolarHBondContact O-N 2.82Å; A377-F431 HydrophobicContact CB-CD1 4.04Å; A377-F431 HydrophobicContact CB-CE1 3.61Å; A377-Y435 PolarHBondContact O-OH 3.01Å; A377-F463 HydrophobicContact CB-CD1 3.72Å; A377-F463 HydrophobicContact CB-CD2 3.96Å; A377-F463 HydrophobicContact CB-CE1 3.83Å; A377-F463 HydrophobicContact CB-CE2 4.07Å; A377-F463 HydrophobicContact CB-CG 3.82Å; A377-F463 HydrophobicContact CB-CZ 4.01Å; A377-K620 HydrophobicContact CB-CD 4.23Å
378D93.1Very high93.7Very high8 Ų818.5 Ų18.54%0.0439%0.087CC..G310 helixtrans-66.8-7.2175.5-66.9-57.3000113.4R370 M375 Y376 M380 T381 K620R370-D378 IonicContact CZ-OD2 3Å; R370-D378 IonicContact NH1-OD2 3.42Å; R370-D378 PolarHBondContact NH1-OD2 3.14Å; M375-D378 WeakPolarHBondContact O-CB 3.33Å; M375-D378 PolarHBondContact O-N 2.94Å; M375-D378 VanDerWaalsContact O-N 3.15Å; Y376-D378 PolarHBondContact O-N 2.96Å; D378-M380 PolarHBondContact O-N 2.83Å; D378-T381 WeakPolarHBondContact O-CB 3.43Å; D378-T381 PolarHBondContact O-N 3.4Å; D378-T381 PolarHBondContact O-OG1 3.03Å; D378-K620 VanDerWaalsContact OD1-CE 3.3Å; D378-K620 WeakPolarHBondContact OD1-CE 3.23Å; D378-K620 IonicContact OD1-NZ 3.19Å; D378-K620 PolarHBondContact OD1-NZ 2.81Å; D378-K620 IonicContact OD2-NZ 2.61Å; D378-K620 PolarHBondContact OD2-NZ 3.22Å
379F94.5Very high94.2Very high25 Ų2518.3 Ų18.311%0.119%0.086CC..G310 helixtrans-60.1-13.5165-59.5-17000113.4Y376 A377 W405 M409 F477 I492 F526Y376-F379 HydrophobicContact CD1-CE1 4.32Å; Y376-F379 AromaticContact CD1-CE2 3.96Å; Y376-F379 HydrophobicContact CD1-CE2 3.96Å; Y376-F379 AromaticContact CD1-CZ 3.57Å; Y376-F379 HydrophobicContact CD1-CZ 3.57Å; Y376-F379 HydrophobicContact CE1-CZ 4.3Å; Y376-F379 HydrophobicContact CG-CE2 4.35Å; Y376-F379 HydrophobicContact CG-CZ 4.38Å; Y376-F379 WeakPolarHBondContact O-CB 3.39Å; Y376-F379 WeakPolarHBondContact O-CD2 3.48Å; Y376-F379 WeakPolarHBondContact O-CG 3.41Å; Y376-F379 PolarHBondContact O-N 3.08Å; A377-F379 PolarHBondContact O-N 3.33Å; A377-F379 VanDerWaalsContact O-N 3.12Å; F379-W405 PolarHBondContact O-NE1 2.65Å; F379-M409 HydrophobicContact CB-CE 4.37Å; F379-M409 HydrophobicContact CB-CG 4.07Å; F379-M409 HydrophobicContact CB-SD 4.36Å; F379-M409 HydrophobicContact CD1-CB 3.85Å; F379-M409 HydrophobicContact CD1-CG 4.04Å; F379-M409 HydrophobicContact CD1-SD 4.08Å; F379-M409 HydrophobicContact CE1-CB 4.49Å; F379-M409 HydrophobicContact CG-CG 4.24Å; F379-M409 HydrophobicContact CG-SD 4.13Å; F379-F477 HydrophobicContact CD2-CE2 4.11Å; F379-F477 HydrophobicContact CD2-CZ 4.2Å; F379-F477 HydrophobicContact CE2-CE1 4.23Å; F379-F477 HydrophobicContact CE2-CE2 4.2Å; F379-F477 AromaticContact CE2-CZ 3.83Å; F379-F477 HydrophobicContact CE2-CZ 3.83Å; F379-I492 HydrophobicContact CE2-CD1 4.42Å; F379-I492 HydrophobicContact CZ-CD1 4.33Å; F379-F526 HydrophobicContact CD2-CZ 4.34Å; F379-F526 HydrophobicContact CE1-CE1 4.09Å; F379-F526 AromaticContact CE2-CE1 3.88Å; F379-F526 HydrophobicContact CE2-CE1 3.88Å; F379-F526 HydrophobicContact CE2-CE2 4.39Å; F379-F526 AromaticContact CE2-CZ 3.53Å; F379-F526 HydrophobicContact CE2-CZ 3.53Å; F379-F526 HydrophobicContact CZ-CD1 4.32Å; F379-F526 AromaticContact CZ-CE1 3.56Å; F379-F526 HydrophobicContact CZ-CE1 3.56Å; F379-F526 HydrophobicContact CZ-CE2 4.46Å; F379-F526 AromaticContact CZ-CZ 3.64Å; F379-F526 HydrophobicContact CZ-CZ 3.64Å
380M94.5Very high94.4Very high1 Ų116.9 Ų16.91%0.0058%0.081CC..G310 helixtrans-107.414.4175.2-68.4-64.4129.100113.9A377 D378 F382 P383 F386 W405 Y435 I461 V479A377-M380 PolarHBondContact O-N 2.82Å; D378-M380 PolarHBondContact O-N 2.83Å; M380-F382 PolarHBondContact O-N 2.8Å; M380-F382 VanDerWaalsContact O-N 3.1Å; M380-P383 WeakPolarHBondContact O-CD 3.38Å; M380-F386 HydrophobicContact CE-CB 4.4Å; M380-F386 HydrophobicContact CE-CD1 4.2Å; M380-F386 HydrophobicContact CE-CD2 3.78Å; M380-F386 HydrophobicContact CE-CE1 4.38Å; M380-F386 HydrophobicContact CE-CE2 3.98Å; M380-F386 HydrophobicContact CE-CG 3.88Å; M380-F386 HydrophobicContact CE-CZ 4.27Å; M380-F386 HydrophobicContact SD-CB 4.21Å; M380-F386 HydrophobicContact SD-CD1 3.95Å; M380-F386 HydrophobicContact SD-CD2 4.49Å; M380-F386 HydrophobicContact SD-CE1 4.4Å; M380-F386 HydrophobicContact SD-CG 3.98Å; M380-W405 HydrophobicContact CE-CZ2 3.36Å; M380-Y435 HydrophobicContact CB-CD2 3.6Å; M380-Y435 HydrophobicContact CB-CE1 4.37Å; M380-Y435 HydrophobicContact CB-CE2 3.33Å; M380-Y435 HydrophobicContact CB-CG 4.22Å; M380-Y435 HydrophobicContact CG-CD2 4.29Å; M380-Y435 HydrophobicContact CG-CE2 4.12Å; M380-I461 HydrophobicContact CG-CG2 4.24Å; M380-I461 HydrophobicContact SD-CD1 4.22Å; M380-I461 HydrophobicContact SD-CG2 3.92Å; M380-V479 HydrophobicContact CE-CG1 3.97Å; M380-V479 HydrophobicContact CE-CG2 4.47Å; M380-V479 HydrophobicContact CG-CG1 3.9Å; M380-V479 HydrophobicContact SD-CG1 3.93Å
381T91.1Very high94.5Very high1 Ų119.1 Ų19.11%0.00610%0.095CC..SBendtrans-55.4-28.8176.8-61.20000113.3D378 P383 G412 P617 A618D378-T381 WeakPolarHBondContact O-CB 3.43Å; D378-T381 PolarHBondContact O-N 3.4Å; D378-T381 PolarHBondContact O-OG1 3.03Å; T381-P383 WeakPolarHBondContact O-CD 3.46Å; T381-G412 WeakPolarHBondContact OG1-CA 3.46Å; T381-P617 HydrophobicContact CG2-CB 3.41Å; T381-P617 VanDerWaalsContact CG2-CB 3.41Å; T381-A618 PolarHBondContact O-N 2.78Å
382F93.2Very high94.6Very high10 Ų1019.7 Ų19.74%0.04410%0.1CC..SBendtrans-121.272.7178.8-56.6-64.5000110.8M380 D384 L385 Y411 L615 P617M380-F382 PolarHBondContact O-N 2.8Å; M380-F382 VanDerWaalsContact O-N 3.1Å; F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 2.74Å; F382-L385 HydrophobicContact CB-CD1 3.85Å; F382-L385 HydrophobicContact CB-CG 4.11Å; F382-L385 WeakPolarHBondContact O-CB 3.24Å; F382-L385 PolarHBondContact O-N 2.92Å; F382-Y411 HydrophobicContact CE2-CD1 4.06Å; F382-Y411 AromaticContact CZ-CD1 3.9Å; F382-Y411 HydrophobicContact CZ-CD1 3.9Å; F382-Y411 HydrophobicContact CZ-CE1 4.3Å; F382-L615 HydrophobicContact CD1-CB 3.58Å; F382-L615 HydrophobicContact CD1-CD1 3.93Å; F382-L615 HydrophobicContact CD1-CG 4.42Å; F382-L615 HydrophobicContact CD2-CD1 4.39Å; F382-L615 HydrophobicContact CE1-CB 3.32Å; F382-L615 HydrophobicContact CE1-CD1 4.19Å; F382-L615 HydrophobicContact CE1-CG 4.41Å; F382-L615 HydrophobicContact CG-CB 4.47Å; F382-L615 HydrophobicContact CG-CD1 4.02Å; F382-L615 HydrophobicContact CZ-CB 4.05Å; F382-P617 HydrophobicContact CE1-CB 4.26Å
383P93.7Very high94.8Very high5 Ų523.5 Ų23.53%0.03213%0.126CC..Hα-helixtrans-66.6-28.7-166.229.7-37.3000112.7M380 T381 L385 F386 G387 V437 I461 A618M380-P383 WeakPolarHBondContact O-CD 3.38Å; T381-P383 WeakPolarHBondContact O-CD 3.46Å; P383-L385 PolarHBondContact O-N 3.05Å; P383-F386 WeakPolarHBondContact O-CB 3.29Å; P383-F386 PolarHBondContact O-N 3.41Å; P383-F386 VanDerWaalsContact O-N 3.1Å; P383-G387 PolarHBondContact O-N 3.23Å; P383-V437 HydrophobicContact CB-CG2 3.98Å; P383-V437 HydrophobicContact CG-CG2 4.44Å; P383-I461 HydrophobicContact CB-CD1 3.46Å; P383-I461 VanDerWaalsContact CB-CD1 3.46Å; P383-A618 HydrophobicContact CG-CB 3.69Å
384D92.8Very high94.8Very high67 Ų6726.8 Ų26.836%0.35815%0.147SC..Hα-helixtrans-58.6-34.4173.6-56.45.7000112.9F382 F386 K388F382-D384 VanDerWaalsContact C-N 3.27Å; F382-D384 PolarHBondContact O-N 2.74Å; D384-F386 VanDerWaalsContact C-N 3.33Å; D384-K388 WeakPolarHBondContact O-CB 3.28Å; D384-K388 WeakPolarHBondContact O-CD 3.42Å; D384-K388 WeakPolarHBondContact O-CG 3.43Å; D384-K388 PolarHBondContact O-N 3.13Å; D384-K388 VanDerWaalsContact O-N 3.12Å
385L95.3Very high94.9Very high21 Ų2128.6 Ų28.611%0.1116%0.159CC..Hα-helixtrans-70.6-33.8178.5-62.8-178.3000111.1F382 P383 R404 W405 L610 L615F382-L385 HydrophobicContact CB-CD1 3.85Å; F382-L385 HydrophobicContact CB-CG 4.11Å; F382-L385 WeakPolarHBondContact O-CB 3.24Å; F382-L385 PolarHBondContact O-N 2.92Å; P383-L385 PolarHBondContact O-N 3.05Å; L385-R404 HydrophobicContact CD2-CG 4.32Å; L385-W405 HydrophobicContact CB-CB 4.21Å; L385-L610 HydrophobicContact CD1-CD1 4.01Å; L385-L615 HydrophobicContact CD1-CD1 3.96Å
386F96.2Very high95.1Very high0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-67.6-50.6172.5-175.8-115.4000110.8M380 P383 D384 K388 I389 W405 I461 Y481 L486 V488 L513M380-F386 HydrophobicContact CE-CB 4.4Å; M380-F386 HydrophobicContact CE-CD1 4.2Å; M380-F386 HydrophobicContact CE-CD2 3.78Å; M380-F386 HydrophobicContact CE-CE1 4.38Å; M380-F386 HydrophobicContact CE-CE2 3.98Å; M380-F386 HydrophobicContact CE-CG 3.88Å; M380-F386 HydrophobicContact CE-CZ 4.27Å; M380-F386 HydrophobicContact SD-CB 4.21Å; M380-F386 HydrophobicContact SD-CD1 3.95Å; M380-F386 HydrophobicContact SD-CD2 4.49Å; M380-F386 HydrophobicContact SD-CE1 4.4Å; M380-F386 HydrophobicContact SD-CG 3.98Å; P383-F386 WeakPolarHBondContact O-CB 3.29Å; P383-F386 PolarHBondContact O-N 3.41Å; P383-F386 VanDerWaalsContact O-N 3.1Å; D384-F386 VanDerWaalsContact C-N 3.33Å; F386-K388 VanDerWaalsContact C-N 3.31Å; F386-K388 PolarHBondContact O-N 3.36Å; F386-I389 HydrophobicContact CD2-CD1 3.99Å; F386-I389 VanDerWaalsContact O-CB 3.29Å; F386-I389 WeakPolarHBondContact O-CB 3.41Å; F386-I389 VanDerWaalsContact O-CG1 3.29Å; F386-I389 WeakPolarHBondContact O-CG1 3.26Å; F386-I389 PolarHBondContact O-N 3.45Å; F386-I389 VanDerWaalsContact O-N 3.09Å; F386-W405 HydrophobicContact CB-CG 4.29Å; F386-W405 AromaticContact CD2-CD2 3.81Å; F386-W405 HydrophobicContact CD2-CD2 3.81Å; F386-W405 AromaticContact CD2-CE2 3.52Å; F386-W405 HydrophobicContact CD2-CE3 4.28Å; F386-W405 HydrophobicContact CD2-CG 4.27Å; F386-W405 HydrophobicContact CD2-CH2 4.21Å; F386-W405 AromaticContact CD2-CZ2 3.74Å; F386-W405 HydrophobicContact CD2-CZ2 3.74Å; F386-W405 HydrophobicContact CD2-CZ3 4.48Å; F386-W405 AromaticContact CD2-NE1 3.89Å; F386-W405 HydrophobicContact CE2-CH2 4.06Å; F386-W405 AromaticContact CE2-CZ2 3.89Å; F386-W405 HydrophobicContact CE2-CZ2 3.89Å; F386-W405 HydrophobicContact CE2-CZ3 4.48Å; F386-I461 HydrophobicContact CD1-CD1 3.95Å; F386-Y481 HydrophobicContact CD1-CD1 4.3Å; F386-L486 HydrophobicContact CD1-CD1 3.92Å; F386-L486 HydrophobicContact CD2-CD1 4.47Å; F386-L486 HydrophobicContact CE1-CB 3.72Å; F386-L486 HydrophobicContact CE1-CD1 3.86Å; F386-L486 HydrophobicContact CE1-CG 4.46Å; F386-L486 HydrophobicContact CE2-CB 4.46Å; F386-L486 HydrophobicContact CE2-CD1 4.42Å; F386-L486 HydrophobicContact CG-CD1 4.24Å; F386-L486 HydrophobicContact CZ-CB 3.64Å; F386-L486 HydrophobicContact CZ-CD1 4.12Å; F386-L486 HydrophobicContact CZ-CG 4.48Å; F386-L486 WeakPolarHBondContact O-CD1 3.2Å; F386-V488 HydrophobicContact CE2-CG2 3.59Å; F386-V488 HydrophobicContact CZ-CG2 3.76Å; F386-L513 HydrophobicContact CE2-CD1 3.88Å; F386-L513 HydrophobicContact CZ-CD1 4.32Å
387G94.5Very high95.3Very high3 Ų331 Ų313%0.03118%0.175CC..Hα-helixtrans-55-42.617900000113.7P383 I389 A390P383-G387 PolarHBondContact O-N 3.23Å; G387-I389 PolarHBondContact O-N 3.45Å; G387-A390 PolarHBondContact O-N 2.86Å; G387-A390 VanDerWaalsContact O-N 3.1Å
388K95.3Very high95.4Very high112 Ų11231.4 Ų31.449%0.48718%0.177SC..Hα-helixtrans-60.3-16179.4-75.6161.1-171153.60114.4D384 F386 A390 D391 A392D384-K388 WeakPolarHBondContact O-CB 3.28Å; D384-K388 WeakPolarHBondContact O-CD 3.42Å; D384-K388 WeakPolarHBondContact O-CG 3.43Å; D384-K388 PolarHBondContact O-N 3.13Å; D384-K388 VanDerWaalsContact O-N 3.12Å; F386-K388 VanDerWaalsContact C-N 3.31Å; F386-K388 PolarHBondContact O-N 3.36Å; K388-A390 VanDerWaalsContact C-N 3.35Å; K388-D391 PolarHBondContact O-N 2.99Å; K388-A392 PolarHBondContact O-N 2.78Å
389I97.8Very high95.7Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-64.4-39.2174.3-59.3168.4000111F386 G387 D391 R398 A401 V402 W405 L486 L513 V515F386-I389 HydrophobicContact CD2-CD1 3.99Å; F386-I389 VanDerWaalsContact O-CB 3.29Å; F386-I389 WeakPolarHBondContact O-CB 3.41Å; F386-I389 VanDerWaalsContact O-CG1 3.29Å; F386-I389 WeakPolarHBondContact O-CG1 3.26Å; F386-I389 PolarHBondContact O-N 3.45Å; F386-I389 VanDerWaalsContact O-N 3.09Å; G387-I389 PolarHBondContact O-N 3.45Å; I389-D391 VanDerWaalsContact C-N 3.31Å; I389-D391 PolarHBondContact O-N 2.92Å; I389-R398 WeakPolarHBondContact O-CG 3.43Å; I389-A401 HydrophobicContact CG1-CB 4.04Å; I389-V402 HydrophobicContact CD1-CG2 4.18Å; I389-V402 HydrophobicContact CG1-CG2 4.32Å; I389-V402 HydrophobicContact CG2-CG2 3.67Å; I389-W405 HydrophobicContact CD1-CB 3.99Å; I389-W405 HydrophobicContact CD1-CD2 4.08Å; I389-W405 HydrophobicContact CD1-CE3 3.82Å; I389-W405 HydrophobicContact CD1-CG 4.18Å; I389-L486 HydrophobicContact CB-CD1 4.49Å; I389-L486 HydrophobicContact CB-CD2 4.43Å; I389-L486 HydrophobicContact CG2-CD2 4.35Å; I389-L513 HydrophobicContact CD1-CD2 3.84Å; I389-L513 HydrophobicContact CG2-CD2 4.42Å; I389-V515 HydrophobicContact CG2-CG2 3.82Å
390A95.3Very high95.8Very high1 Ų131.4 Ų31.41%0.00818%0.177CC..Hα-helixtrans-76-19179.800000113.7G387 K388 K484 L486 K517G387-A390 PolarHBondContact O-N 2.86Å; G387-A390 VanDerWaalsContact O-N 3.1Å; K388-A390 VanDerWaalsContact C-N 3.35Å; A390-K484 HydrophobicContact CB-CB 3.8Å; A390-K484 HydrophobicContact CB-CD 4.29Å; A390-K484 WeakPolarHBondContact CB-O 3.08Å; A390-L486 HydrophobicContact CB-CD1 4.22Å; A390-L486 HydrophobicContact CB-CD2 3.98Å; A390-L486 HydrophobicContact CB-CG 4.05Å; A390-K517 PolarHBondContact O-NZ 2.99Å
391D94.4Very high96Very high80 Ų8031.8 Ų31.843%0.42818%0.181SC..Hα-helixtrans-89.9-21.1-178.1-57.6-45.5000112.3K388 I389 K484K388-D391 PolarHBondContact O-N 2.99Å; I389-D391 VanDerWaalsContact C-N 3.31Å; I389-D391 PolarHBondContact O-N 2.92Å; D391-K484 VanDerWaalsContact CG-NZ 3.26Å; D391-K484 IonicContact OD1-NZ 3.43Å; D391-K484 PolarHBondContact OD1-NZ 3.27Å; D391-K484 IonicContact OD2-NZ 3.22Å; D391-K484 PolarHBondContact OD2-NZ 3.32Å
392A96.8Very high96.4Very high14 Ų1431.8 Ų31.812%0.11618%0.181CC..  trans-68.2123.5-179.200000112.1K388 A397 R398 A401K388-A392 PolarHBondContact O-N 2.78Å; A392-A397 HydrophobicContact CB-CB 4Å; A392-R398 HydrophobicContact CB-CB 4.49Å; A392-R398 HydrophobicContact CB-CG 3.71Å; A392-R398 VanDerWaalsContact O-CG 3.25Å; A392-R398 WeakPolarHBondContact O-CG 3.5Å; A392-R398 PolarHBondContact O-NH1 2.88Å; A392-A401 HydrophobicContact CB-CB 4.42Å
393P95.9Very high96.6Very high104 Ų10431.3 Ų31.368%0.67518%0.179SC*.  trans-80.9-33.3-163.529-35.7000114.7R398P393-R398 PolarHBondContact O-NH1 3.29Å
394T97.7Very high96.8Very high70 Ų7034.1 Ų34.143%0.42919%0.189SC..SBendtrans-104.6156.3-178.263.80000111.9E396 A397 R398T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 PolarHBondContact O-N 3.19Å; T394-A397 PolarHBondContact O-N 3.05Å; T394-A397 VanDerWaalsContact OG1-CB 3.29Å; T394-A397 WeakPolarHBondContact OG1-CB 3.35Å; T394-A397 PolarHBondContact OG1-N 3.47Å; T394-R398 PolarHBondContact O-N 2.86Å
395P97.9Very high97Very high46 Ų4631 Ų3130%0.29917%0.172SC..Hα-helixtrans-56-39.6173.8-27.336.1000113.4R398 M399 T553 Y555P395-R398 PolarHBondContact O-N 3.37Å; P395-M399 PolarHBondContact O-N 3.23Å; P395-T553 HydrophobicContact CB-CG2 3.9Å; P395-T553 HydrophobicContact CG-CG2 4.32Å; P395-Y555 HydrophobicContact CB-CD2 4.09Å; P395-Y555 HydrophobicContact CB-CE2 3.85Å
396E97.5Very high97.1Very high54 Ų5430 Ų3025%0.25217%0.167SC..Hα-helixtrans-61.1-48.2175.3-169.9172.9118.700111.2T394 R398 M399 I400 Y555 R580 F587T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 PolarHBondContact O-N 3.19Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 2.84Å; E396-M399 PolarHBondContact O-N 3.06Å; E396-I400 HydrophobicContact CG-CD1 4.14Å; E396-I400 WeakPolarHBondContact O-CD1 3.3Å; E396-I400 VanDerWaalsContact O-CG1 3.25Å; E396-I400 WeakPolarHBondContact O-CG1 3.27Å; E396-I400 PolarHBondContact O-N 2.91Å; E396-Y555 HydrophobicContact CB-CE1 3.75Å; E396-Y555 HydrophobicContact CG-CE1 3.96Å; E396-R580 IonicContact OE1-NH2 3.48Å; E396-R580 PolarHBondContact OE1-NH2 2.92Å; E396-R580 IonicContact OE2-CZ 3.21Å; E396-R580 IonicContact OE2-NE 2.76Å; E396-R580 PolarHBondContact OE2-NE 2.85Å; E396-R580 IonicContact OE2-NH2 2.79Å; E396-R580 PolarHBondContact OE2-NH2 2.85Å; E396-F587 HydrophobicContact CG-CD2 4.39Å; E396-F587 HydrophobicContact CG-CE2 3.54Å; E396-F587 HydrophobicContact CG-CZ 3.64Å
397A97.6Very high97.1Very high30 Ų3030.1 Ų30.125%0.24817%0.167CC..Hα-helixtrans-64.6-36.2177.400000112.5A392 T394 A401A392-A397 HydrophobicContact CB-CB 4Å; T394-A397 PolarHBondContact O-N 3.05Å; T394-A397 VanDerWaalsContact OG1-CB 3.29Å; T394-A397 WeakPolarHBondContact OG1-CB 3.35Å; T394-A397 PolarHBondContact OG1-N 3.47Å; A397-A401 WeakPolarHBondContact O-CB 3.5Å; A397-A401 PolarHBondContact O-N 2.9Å
398R98.4Very high97.1Very high7 Ų730 Ų303%0.02617%0.166CC..Hα-helixtrans-66.2-45.6174.2-76.9-170-66.3-78.53.6112I389 A392 P393 T394 P395 E396 I400 A401 V402 H518 E520 Y522I389-R398 WeakPolarHBondContact O-CG 3.43Å; A392-R398 HydrophobicContact CB-CB 4.49Å; A392-R398 HydrophobicContact CB-CG 3.71Å; A392-R398 VanDerWaalsContact O-CG 3.25Å; A392-R398 WeakPolarHBondContact O-CG 3.5Å; A392-R398 PolarHBondContact O-NH1 2.88Å; P393-R398 PolarHBondContact O-NH1 3.29Å; T394-R398 PolarHBondContact O-N 2.86Å; P395-R398 PolarHBondContact O-N 3.37Å; E396-R398 VanDerWaalsContact C-N 3.34Å; E396-R398 PolarHBondContact O-N 2.84Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 PolarHBondContact O-N 3.36Å; R398-A401 CarbonylContact O-C 3.59Å; R398-A401 WeakPolarHBondContact O-CA 3.49Å; R398-A401 WeakPolarHBondContact O-CB 3.4Å; R398-A401 PolarHBondContact O-N 2.88Å; R398-V402 WeakPolarHBondContact O-CG2 3.44Å; R398-V402 PolarHBondContact O-N 3.37Å; R398-H518 PolarHBondContact NH1-CE1 3.48Å; R398-E520 IonicContact CZ-OE1 3.59Å; R398-E520 IonicContact CZ-OE2 2.71Å; R398-E520 IonicContact NE-OE1 3.78Å; R398-E520 IonicContact NE-OE2 2.83Å; R398-E520 PolarHBondContact NE-OE2 3.14Å; R398-E520 IonicContact NH2-OE1 3.5Å; R398-E520 PolarHBondContact NH2-OE1 2.75Å; R398-E520 IonicContact NH2-OE2 2.69Å; R398-E520 PolarHBondContact NH2-OE2 3.35Å; R398-Y522 VanDerWaalsContact CB-OH 3.29Å; R398-Y522 WeakPolarHBondContact CB-OH 3.49Å
399M98.4Very high97.1Very high0 Ų024.9 Ų24.90%014%0.144CC..Hα-helixtrans-60.3-40.8176.3-173.55888.200111.9P395 E396 A401 V402 L403 Y522 I548 C550 Y555 V557P395-M399 PolarHBondContact O-N 3.23Å; E396-M399 PolarHBondContact O-N 3.06Å; M399-A401 VanDerWaalsContact C-N 3.32Å; M399-A401 PolarHBondContact O-N 2.99Å; M399-V402 PolarHBondContact O-N 3.32Å; M399-L403 WeakPolarHBondContact O-CB 3.33Å; M399-L403 PolarHBondContact O-N 3.18Å; M399-Y522 HydrophobicContact CB-CE1 4.42Å; M399-Y522 HydrophobicContact CE-CD1 3.81Å; M399-Y522 HydrophobicContact CE-CE1 3.72Å; M399-Y522 HydrophobicContact SD-CD1 3.94Å; M399-Y522 HydrophobicContact SD-CE1 3.87Å; M399-I548 HydrophobicContact CE-CG2 4.28Å; M399-I548 HydrophobicContact SD-CB 4.42Å; M399-I548 HydrophobicContact SD-CG2 3.77Å; M399-C550 HydrophobicContact CE-CB 3.97Å; M399-Y555 VanDerWaalsContact CE-O 3.24Å; M399-Y555 WeakPolarHBondContact CE-O 3.27Å; M399-V557 HydrophobicContact CG-CG2 3.78Å; M399-V557 HydrophobicContact SD-CG2 3.72Å
400I98.1Very high96.7Very high33 Ų3325.5 Ų25.517%0.16915%0.147CC..Hα-helixtrans-63.5-36.1173.8-65.9166.9000111.6E396 R398 R404 L578 F587 I600 F609E396-I400 HydrophobicContact CG-CD1 4.14Å; E396-I400 WeakPolarHBondContact O-CD1 3.3Å; E396-I400 VanDerWaalsContact O-CG1 3.25Å; E396-I400 WeakPolarHBondContact O-CG1 3.27Å; E396-I400 PolarHBondContact O-N 2.91Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 PolarHBondContact O-N 3.36Å; I400-R404 WeakPolarHBondContact O-CB 3.46Å; I400-R404 PolarHBondContact O-N 2.98Å; I400-R404 VanDerWaalsContact O-N 3.13Å; I400-L578 HydrophobicContact CG1-CD2 3.79Å; I400-F587 HydrophobicContact CD1-CE2 4.22Å; I400-I600 HydrophobicContact CG2-CD1 4.48Å; I400-F609 HydrophobicContact CG2-CE2 4.02Å
401A98.3Very high96.2Very high10 Ų1027.9 Ų27.98%0.08316%0.156CC..Hα-helixtrans-71-44.4175.600000112.5I389 A392 A397 R398 M399 L403 R404 W405I389-A401 HydrophobicContact CG1-CB 4.04Å; A392-A401 HydrophobicContact CB-CB 4.42Å; A397-A401 WeakPolarHBondContact O-CB 3.5Å; A397-A401 PolarHBondContact O-N 2.9Å; R398-A401 CarbonylContact O-C 3.59Å; R398-A401 WeakPolarHBondContact O-CA 3.49Å; R398-A401 WeakPolarHBondContact O-CB 3.4Å; R398-A401 PolarHBondContact O-N 2.88Å; M399-A401 VanDerWaalsContact C-N 3.32Å; M399-A401 PolarHBondContact O-N 2.99Å; A401-L403 PolarHBondContact O-N 3Å; A401-R404 PolarHBondContact O-N 2.96Å; A401-R404 VanDerWaalsContact O-N 3.11Å; A401-W405 PolarHBondContact O-N 3.27Å
402V98.6Very high95.2Very high1 Ų124.1 Ų24.11%0.00614%0.136CC..Hα-helixtrans-58.2-48.3175.3173.90000110.4I389 R398 M399 R404 W405 Y406 L513 Y522 I548I389-V402 HydrophobicContact CD1-CG2 4.18Å; I389-V402 HydrophobicContact CG1-CG2 4.32Å; I389-V402 HydrophobicContact CG2-CG2 3.67Å; R398-V402 WeakPolarHBondContact O-CG2 3.44Å; R398-V402 PolarHBondContact O-N 3.37Å; M399-V402 PolarHBondContact O-N 3.32Å; V402-R404 VanDerWaalsContact C-N 3.29Å; V402-R404 PolarHBondContact O-N 3.41Å; V402-W405 PolarHBondContact O-N 2.87Å; V402-Y406 WeakPolarHBondContact O-CB 3.41Å; V402-Y406 PolarHBondContact O-N 3.09Å; V402-L513 HydrophobicContact CG1-CD2 4.12Å; V402-L513 HydrophobicContact CG2-CD2 3.8Å; V402-Y522 HydrophobicContact CB-CD1 4.27Å; V402-Y522 HydrophobicContact CG1-CD1 4.14Å; V402-Y522 HydrophobicContact CG1-CG 4.34Å; V402-Y522 HydrophobicContact CG2-CD1 3.85Å; V402-Y522 HydrophobicContact CG2-CD2 4.22Å; V402-Y522 HydrophobicContact CG2-CE1 3.98Å; V402-Y522 HydrophobicContact CG2-CE2 4.34Å; V402-Y522 HydrophobicContact CG2-CG 3.99Å; V402-I548 HydrophobicContact CG1-CG2 3.96Å
403L98.5Very high93.9Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-59.3-38.7175.1179.161.4000112.1M399 A401 Y406 M407 I548 V557 L559 A576 L578 V590 F609M399-L403 WeakPolarHBondContact O-CB 3.33Å; M399-L403 PolarHBondContact O-N 3.18Å; A401-L403 PolarHBondContact O-N 3Å; L403-Y406 PolarHBondContact O-N 3.11Å; L403-M407 HydrophobicContact CD1-CG 3.89Å; L403-M407 HydrophobicContact CD1-SD 4.37Å; L403-M407 HydrophobicContact CG-CG 4.34Å; L403-M407 WeakPolarHBondContact O-CB 3.3Å; L403-M407 VanDerWaalsContact O-CG 3.28Å; L403-M407 WeakPolarHBondContact O-CG 3.29Å; L403-M407 PolarHBondContact O-N 2.78Å; L403-I548 HydrophobicContact CB-CD1 4.39Å; L403-I548 HydrophobicContact CD1-CD1 3.9Å; L403-V557 HydrophobicContact CD1-CG1 4.2Å; L403-V557 HydrophobicContact CD2-CG1 4.13Å; L403-L559 HydrophobicContact CD1-CD2 3.67Å; L403-L559 HydrophobicContact CD1-CG 4.42Å; L403-A576 HydrophobicContact CD1-CB 4.19Å; L403-A576 HydrophobicContact CD2-CB 4.16Å; L403-L578 HydrophobicContact CD2-CD1 3.72Å; L403-L578 HydrophobicContact CD2-CD2 3.92Å; L403-L578 HydrophobicContact CD2-CG 3.95Å; L403-V590 HydrophobicContact CD2-CG2 3.84Å; L403-F609 HydrophobicContact CB-CZ 4.21Å; L403-F609 HydrophobicContact CD2-CZ 4.08Å; L403-F609 HydrophobicContact CG-CE1 4.26Å; L403-F609 HydrophobicContact CG-CZ 3.85Å
404R98Very high92.9Very high63 Ų6320.8 Ų20.824%0.23811%0.111CC..Hα-helixtrans-68.2-41.1-179.8-173.4177.8-74.8102.8-8.7112.3L385 I400 A401 V402 S408 F609 L610L385-R404 HydrophobicContact CD2-CG 4.32Å; I400-R404 WeakPolarHBondContact O-CB 3.46Å; I400-R404 PolarHBondContact O-N 2.98Å; I400-R404 VanDerWaalsContact O-N 3.13Å; A401-R404 PolarHBondContact O-N 2.96Å; A401-R404 VanDerWaalsContact O-N 3.11Å; V402-R404 VanDerWaalsContact C-N 3.29Å; V402-R404 PolarHBondContact O-N 3.41Å; R404-S408 PolarHBondContact O-N 2.59Å; R404-F609 HydrophobicContact CB-CE1 4.04Å; R404-F609 HydrophobicContact CB-CE2 4.11Å; R404-F609 HydrophobicContact CB-CZ 3.57Å; R404-F609 HydrophobicContact CG-CE1 4.31Å; R404-F609 HydrophobicContact CG-CZ 4.22Å; R404-F609 PolarHBondContact NE-O 3.07Å; R404-L610 HydrophobicContact CG-CD1 4.12Å; R404-L610 HydrophobicContact CG-CD2 4.43Å
405W97.2Very high91.5Very high3 Ų321.6 Ų21.61%0.01111%0.106CC..Hα-helixtrans-65.7-48.3172.9163.162.7000111.2F379 M380 L385 F386 I389 A401 V402 M407 S408 M409 V488 L513 F524F379-W405 PolarHBondContact O-NE1 2.65Å; M380-W405 HydrophobicContact CE-CZ2 3.36Å; L385-W405 HydrophobicContact CB-CB 4.21Å; F386-W405 HydrophobicContact CB-CG 4.29Å; F386-W405 AromaticContact CD2-CD2 3.81Å; F386-W405 HydrophobicContact CD2-CD2 3.81Å; F386-W405 AromaticContact CD2-CE2 3.52Å; F386-W405 HydrophobicContact CD2-CE3 4.28Å; F386-W405 HydrophobicContact CD2-CG 4.27Å; F386-W405 HydrophobicContact CD2-CH2 4.21Å; F386-W405 AromaticContact CD2-CZ2 3.74Å; F386-W405 HydrophobicContact CD2-CZ2 3.74Å; F386-W405 HydrophobicContact CD2-CZ3 4.48Å; F386-W405 AromaticContact CD2-NE1 3.89Å; F386-W405 HydrophobicContact CE2-CH2 4.06Å; F386-W405 AromaticContact CE2-CZ2 3.89Å; F386-W405 HydrophobicContact CE2-CZ2 3.89Å; F386-W405 HydrophobicContact CE2-CZ3 4.48Å; I389-W405 HydrophobicContact CD1-CB 3.99Å; I389-W405 HydrophobicContact CD1-CD2 4.08Å; I389-W405 HydrophobicContact CD1-CE3 3.82Å; I389-W405 HydrophobicContact CD1-CG 4.18Å; A401-W405 PolarHBondContact O-N 3.27Å; V402-W405 PolarHBondContact O-N 2.87Å; W405-M407 PolarHBondContact O-N 3.42Å; W405-S408 WeakPolarHBondContact O-CB 3.34Å; W405-S408 PolarHBondContact O-N 3.25Å; W405-S408 PolarHBondContact O-OG 2.86Å; W405-M409 HydrophobicContact CD2-CE 3.85Å; W405-M409 VanDerWaalsContact CE2-CE 3.42Å; W405-M409 HydrophobicContact CE3-CE 3.94Å; W405-M409 HydrophobicContact CH2-CE 3.31Å; W405-M409 HydrophobicContact CZ2-CE 3.16Å; W405-M409 HydrophobicContact CZ3-CE 3.68Å; W405-M409 PolarHBondContact O-N 2.86Å; W405-V488 HydrophobicContact CH2-CG2 3.8Å; W405-V488 HydrophobicContact CZ2-CG2 4.28Å; W405-L513 HydrophobicContact CE3-CD2 4.07Å; W405-L513 HydrophobicContact CH2-CD2 4.48Å; W405-L513 HydrophobicContact CZ3-CB 4.45Å; W405-L513 HydrophobicContact CZ3-CD2 3.65Å; W405-F524 HydrophobicContact CH2-CE1 4.29Å; W405-F524 AromaticContact CH2-CZ 3.85Å; W405-F524 HydrophobicContact CH2-CZ 3.85Å; W405-F524 AromaticContact CZ3-CE1 4Å; W405-F524 HydrophobicContact CZ3-CE1 4Å; W405-F524 AromaticContact CZ3-CZ 3.9Å; W405-F524 HydrophobicContact CZ3-CZ 3.9Å
406Y97.4Very high89.9Confident0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-52.8-51.2176.3179.9-90.7000111.9V402 L403 S408 M409 F410 F524 D525 F526 I548 L559 F561V402-Y406 WeakPolarHBondContact O-CB 3.41Å; V402-Y406 PolarHBondContact O-N 3.09Å; L403-Y406 PolarHBondContact O-N 3.11Å; Y406-S408 PolarHBondContact O-N 3.44Å; Y406-S408 VanDerWaalsContact O-N 3.1Å; Y406-M409 HydrophobicContact CD2-CE 4.31Å; Y406-M409 HydrophobicContact CD2-SD 4.07Å; Y406-M409 WeakPolarHBondContact O-CB 3.42Å; Y406-M409 VanDerWaalsContact O-CG 3.31Å; Y406-M409 WeakPolarHBondContact O-CG 3.41Å; Y406-M409 PolarHBondContact O-N 2.86Å; Y406-M409 VanDerWaalsContact O-N 3.15Å; Y406-F410 AromaticContact CD1-CE2 3.82Å; Y406-F410 HydrophobicContact CD1-CE2 3.82Å; Y406-F410 HydrophobicContact CD1-CZ 4.33Å; Y406-F410 AromaticContact CE1-CE2 3.55Å; Y406-F410 HydrophobicContact CE1-CE2 3.55Å; Y406-F410 AromaticContact CE1-CZ 3.69Å; Y406-F410 HydrophobicContact CE1-CZ 3.69Å; Y406-F410 HydrophobicContact CE2-CZ 4.26Å; Y406-F410 HydrophobicContact CG-CE2 4.46Å; Y406-F410 AromaticContact CZ-CZ 3.68Å; Y406-F410 WeakPolarHBondContact O-CD2 3.47Å; Y406-F410 WeakPolarHBondContact O-CE2 3.32Å; Y406-F524 AromaticContact CD2-CD2 3.77Å; Y406-F524 HydrophobicContact CD2-CD2 3.77Å; Y406-F524 AromaticContact CD2-CE2 3.98Å; Y406-F524 HydrophobicContact CD2-CE2 3.98Å; Y406-F524 HydrophobicContact CD2-CG 4.28Å; Y406-F524 HydrophobicContact CE2-CB 4.43Å; Y406-F524 AromaticContact CE2-CD2 3.56Å; Y406-F524 HydrophobicContact CE2-CD2 3.56Å; Y406-F524 HydrophobicContact CE2-CE2 4.07Å; Y406-F524 HydrophobicContact CE2-CG 4.24Å; Y406-D525 VanDerWaalsContact CE2-O 3.31Å; Y406-D525 WeakPolarHBondContact CE2-O 3.47Å; Y406-D525 PolarHBondContact OH-O 2.89Å; Y406-F526 HydrophobicContact CE2-CD1 4.42Å; Y406-F526 HydrophobicContact CE2-CE1 4.48Å; Y406-I548 HydrophobicContact CD1-CD1 4.18Å; Y406-I548 HydrophobicContact CD2-CD1 4.41Å; Y406-I548 HydrophobicContact CG-CD1 3.99Å; Y406-L559 HydrophobicContact CD1-CD2 3.97Å; Y406-L559 HydrophobicContact CE1-CD2 3.66Å; Y406-F561 HydrophobicContact CE1-CE2 4.39Å; Y406-F561 HydrophobicContact CE1-CZ 4.47Å
407M96.4Very high88.6Confident2 Ų220.6 Ų20.61%0.0111%0.111CC..Hα-helixtrans-64.2-17178.6-70.3-48.4-51.200114.3L403 W405 F410 L559 F561 V574 W594 M598 F609 L610L403-M407 HydrophobicContact CD1-CG 3.89Å; L403-M407 HydrophobicContact CD1-SD 4.37Å; L403-M407 HydrophobicContact CG-CG 4.34Å; L403-M407 WeakPolarHBondContact O-CB 3.3Å; L403-M407 VanDerWaalsContact O-CG 3.28Å; L403-M407 WeakPolarHBondContact O-CG 3.29Å; L403-M407 PolarHBondContact O-N 2.78Å; W405-M407 PolarHBondContact O-N 3.42Å; M407-F410 HydrophobicContact CE-CD2 4.47Å; M407-L559 HydrophobicContact SD-CD2 3.93Å; M407-F561 HydrophobicContact CE-CE1 4.04Å; M407-F561 HydrophobicContact CE-CZ 3.89Å; M407-F561 HydrophobicContact SD-CZ 4.14Å; M407-V574 HydrophobicContact CE-CB 4.31Å; M407-V574 HydrophobicContact CE-CG1 3.86Å; M407-V574 HydrophobicContact CE-CG2 3.76Å; M407-V574 HydrophobicContact SD-CG2 4.4Å; M407-W594 HydrophobicContact CE-CB 3.83Å; M407-M598 HydrophobicContact CB-CE 4.23Å; M407-M598 HydrophobicContact CB-SD 4.19Å; M407-M598 HydrophobicContact CE-CE 4.44Å; M407-M598 HydrophobicContact CE-SD 3.68Å; M407-M598 HydrophobicContact CG-SD 4.31Å; M407-F609 HydrophobicContact CG-CE1 4.4Å; M407-L610 HydrophobicContact CB-CD2 4.13Å
408S94.5Very high87.6Confident1 Ų120.3 Ų20.31%0.00711%0.105CC..Hα-helixtrans-83.3-23.1177.381.40000113.8R404 W405 Y406 F410 G412R404-S408 PolarHBondContact O-N 2.59Å; W405-S408 WeakPolarHBondContact O-CB 3.34Å; W405-S408 PolarHBondContact O-N 3.25Å; W405-S408 PolarHBondContact O-OG 2.86Å; Y406-S408 PolarHBondContact O-N 3.44Å; Y406-S408 VanDerWaalsContact O-N 3.1Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 3.26Å; S408-G412 PolarHBondContact O-N 2.92Å
409M93.9Very high86.8Confident4 Ų420.9 Ų20.92%0.0211%0.111CC..Hα-helixtrans-56.6-44.7-178.3-63.4174.117500112.8F379 W405 Y406 Y411 G412 G413 F524 F526F379-M409 HydrophobicContact CB-CE 4.37Å; F379-M409 HydrophobicContact CB-CG 4.07Å; F379-M409 HydrophobicContact CB-SD 4.36Å; F379-M409 HydrophobicContact CD1-CB 3.85Å; F379-M409 HydrophobicContact CD1-CG 4.04Å; F379-M409 HydrophobicContact CD1-SD 4.08Å; F379-M409 HydrophobicContact CE1-CB 4.49Å; F379-M409 HydrophobicContact CG-CG 4.24Å; F379-M409 HydrophobicContact CG-SD 4.13Å; W405-M409 HydrophobicContact CD2-CE 3.85Å; W405-M409 VanDerWaalsContact CE2-CE 3.42Å; W405-M409 HydrophobicContact CE3-CE 3.94Å; W405-M409 HydrophobicContact CH2-CE 3.31Å; W405-M409 HydrophobicContact CZ2-CE 3.16Å; W405-M409 HydrophobicContact CZ3-CE 3.68Å; W405-M409 PolarHBondContact O-N 2.86Å; Y406-M409 HydrophobicContact CD2-CE 4.31Å; Y406-M409 HydrophobicContact CD2-SD 4.07Å; Y406-M409 WeakPolarHBondContact O-CB 3.42Å; Y406-M409 VanDerWaalsContact O-CG 3.31Å; Y406-M409 WeakPolarHBondContact O-CG 3.41Å; Y406-M409 PolarHBondContact O-N 2.86Å; Y406-M409 VanDerWaalsContact O-N 3.15Å; M409-Y411 PolarHBondContact O-N 2.88Å; M409-G412 PolarHBondContact O-N 3.06Å; M409-G412 VanDerWaalsContact O-N 3.16Å; M409-G413 PolarHBondContact O-N 3.28Å; M409-F524 HydrophobicContact CE-CE2 4.23Å; M409-F524 HydrophobicContact CE-CZ 4.17Å; M409-F526 HydrophobicContact SD-CE1 3.96Å
410F90.3Very high86Confident12 Ų1222.4 Ų22.45%0.05312%0.118CC..Hα-helixtrans-64.9-37.9-170.1-58-72.3000112.9Y406 M407 S408 R414 F526 P527 F542 F561 W594Y406-F410 AromaticContact CD1-CE2 3.82Å; Y406-F410 HydrophobicContact CD1-CE2 3.82Å; Y406-F410 HydrophobicContact CD1-CZ 4.33Å; Y406-F410 AromaticContact CE1-CE2 3.55Å; Y406-F410 HydrophobicContact CE1-CE2 3.55Å; Y406-F410 AromaticContact CE1-CZ 3.69Å; Y406-F410 HydrophobicContact CE1-CZ 3.69Å; Y406-F410 HydrophobicContact CE2-CZ 4.26Å; Y406-F410 HydrophobicContact CG-CE2 4.46Å; Y406-F410 AromaticContact CZ-CZ 3.68Å; Y406-F410 WeakPolarHBondContact O-CD2 3.47Å; Y406-F410 WeakPolarHBondContact O-CE2 3.32Å; M407-F410 HydrophobicContact CE-CD2 4.47Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 3.26Å; F410-R414 PolarHBondContact O-N 2.85Å; F410-F526 HydrophobicContact CE1-CD1 4.43Å; F410-F526 HydrophobicContact CZ-CD1 4.42Å; F410-P527 HydrophobicContact CD1-CG 4.28Å; F410-P527 HydrophobicContact CE1-CG 3.62Å; F410-P527 HydrophobicContact CZ-CG 4.15Å; F410-F542 HydrophobicContact CB-CD2 4.23Å; F410-F542 HydrophobicContact CB-CE2 3.85Å; F410-F542 HydrophobicContact CD1-CD2 4.06Å; F410-F542 HydrophobicContact CD1-CE1 4.47Å; F410-F542 AromaticContact CD1-CE2 3.8Å; F410-F542 HydrophobicContact CD1-CE2 3.8Å; F410-F542 HydrophobicContact CD1-CZ 4.02Å; F410-F542 HydrophobicContact CG-CD2 4.44Å; F410-F542 HydrophobicContact CG-CE2 4.26Å; F410-F561 HydrophobicContact CD2-CE1 4.16Å; F410-F561 AromaticContact CD2-CZ 3.86Å; F410-F561 HydrophobicContact CD2-CZ 3.86Å; F410-F561 HydrophobicContact CE1-CZ 4.29Å; F410-F561 HydrophobicContact CE2-CE1 4.32Å; F410-F561 HydrophobicContact CE2-CE2 4.45Å; F410-F561 AromaticContact CE2-CZ 3.58Å; F410-F561 HydrophobicContact CE2-CZ 3.58Å; F410-F561 HydrophobicContact CG-CE1 4.31Å; F410-F561 HydrophobicContact CG-CZ 4.33Å; F410-F561 HydrophobicContact CZ-CE2 4.37Å; F410-F561 AromaticContact CZ-CZ 3.81Å; F410-F561 HydrophobicContact CZ-CZ 3.81Å; F410-W594 HydrophobicContact CB-CD2 4.09Å; F410-W594 HydrophobicContact CB-CE3 3.53Å; F410-W594 HydrophobicContact CB-CZ3 4.04Å; F410-W594 WeakPolarHBondContact O-CZ3 3.48Å
411Y84.8Confident85.4Confident51 Ų5124 Ų2420%0.212%0.123CC..Hα-helixtrans-71.3-40.6173.9-177.4-105.3000111.9F382 M409 G413 R414 R415 N595 V612 R613F382-Y411 HydrophobicContact CE2-CD1 4.06Å; F382-Y411 AromaticContact CZ-CD1 3.9Å; F382-Y411 HydrophobicContact CZ-CD1 3.9Å; F382-Y411 HydrophobicContact CZ-CE1 4.3Å; M409-Y411 PolarHBondContact O-N 2.88Å; Y411-G413 VanDerWaalsContact C-N 3.33Å; Y411-G413 PolarHBondContact O-N 3.45Å; Y411-R414 PolarHBondContact O-N 2.89Å; Y411-R415 VanDerWaalsContact O-CG 3.27Å; Y411-R415 WeakPolarHBondContact O-CG 3.29Å; Y411-R415 PolarHBondContact O-N 2.94Å; Y411-N595 HydrophobicContact CD2-CB 4.16Å; Y411-V612 HydrophobicContact CD1-CB 3.66Å; Y411-V612 HydrophobicContact CD1-CG2 3.64Å; Y411-V612 HydrophobicContact CD2-CB 4.46Å; Y411-V612 HydrophobicContact CD2-CG2 3.54Å; Y411-V612 HydrophobicContact CE1-CB 4.2Å; Y411-V612 HydrophobicContact CE1-CG2 4.08Å; Y411-V612 HydrophobicContact CE2-CG2 3.98Å; Y411-V612 HydrophobicContact CG-CB 3.79Å; Y411-V612 HydrophobicContact CG-CG2 3.33Å; Y411-R613 HydrophobicContact CE2-CG 4.28Å
412G73.7Confident85.1Confident2 Ų223.9 Ų23.92%0.02112%0.122CC..Hα-helixtrans-53.5-47.9179.700000113T381 S408 M409 R415T381-G412 WeakPolarHBondContact OG1-CA 3.46Å; S408-G412 PolarHBondContact O-N 2.92Å; M409-G412 PolarHBondContact O-N 3.06Å; M409-G412 VanDerWaalsContact O-N 3.16Å; G412-R415 PolarHBondContact O-NE 3.04Å
413G69Low84.7Confident12 Ų1224 Ų2412%0.12412%0.122CC..Hα-helixtrans-78.2-20179.600000116R370 M409 Y411R370-G413 PolarHBondContact NH1-O 2.96Å; R370-G413 PolarHBondContact NH2-O 2.83Å; M409-G413 PolarHBondContact O-N 3.28Å; Y411-G413 VanDerWaalsContact C-N 3.33Å; Y411-G413 PolarHBondContact O-N 3.45Å
414R75.3Confident84.3Confident35 Ų3527.8 Ų27.813%0.13214%0.143CC..  trans-134.443.7-167.7-67.1-61.1-173.7-175.5-5.7114.8E368 F410 Y411 S416 G417 K420 V540 F542 W594E368-R414 IonicContact OE2-CZ 3.74Å; E368-R414 IonicContact OE2-NH1 3.64Å; E368-R414 PolarHBondContact OE2-NH1 3.37Å; E368-R414 IonicContact OE2-NH2 2.65Å; F410-R414 PolarHBondContact O-N 2.85Å; Y411-R414 PolarHBondContact O-N 2.89Å; R414-S416 PolarHBondContact O-N 2.84Å; R414-G417 PolarHBondContact O-N 2.77Å; R414-K420 PolarHBondContact NH1-O 3.04Å; R414-K420 PolarHBondContact NH2-O 3.16Å; R414-V540 HydrophobicContact CG-CG1 4.49Å; R414-F542 HydrophobicContact CG-CE2 4.49Å; R414-F542 HydrophobicContact CG-CZ 4.21Å; R414-W594 HydrophobicContact CB-CH2 4.32Å
415R68Low84Confident87 Ų8725 Ų2533%0.32813%0.133SC..THydrogen-bonded Turntrans-57.7-44.7-177-54.2-176.7-159.2172.98.8114.3E329 Y411 G412 G417E329-R415 IonicContact OE2-CZ 2.7Å; E329-R415 IonicContact OE2-NH1 2.73Å; E329-R415 PolarHBondContact OE2-NH1 2.97Å; E329-R415 IonicContact OE2-NH2 3.6Å; Y411-R415 VanDerWaalsContact O-CG 3.27Å; Y411-R415 WeakPolarHBondContact O-CG 3.29Å; Y411-R415 PolarHBondContact O-N 2.94Å; G412-R415 PolarHBondContact O-NE 3.04Å; R415-G417 VanDerWaalsContact C-N 3.29Å; R415-G417 PolarHBondContact O-N 2.83Å
416S63.8Low83.8Confident50 Ų5025 Ų2535%0.3513%0.133SC..THydrogen-bonded Turntrans-73.2-13.4-173.262.50000115.1D332 R414 L418D332-S416 WeakPolarHBondContact OD1-CA 3.41Å; D332-S416 WeakPolarHBondContact OD1-CB 3.43Å; R414-S416 PolarHBondContact O-N 2.84Å; S416-L418 PolarHBondContact O-N 2.9Å
417G70.5Confident83.6Confident30 Ų3025.8 Ų25.831%0.30914%0.137SC..  trans68.4-27.7-172.400000115.4R414 R415 A419 W539 V540R414-G417 PolarHBondContact O-N 2.77Å; R415-G417 VanDerWaalsContact C-N 3.29Å; R415-G417 PolarHBondContact O-N 2.83Å; G417-A419 PolarHBondContact O-N 3.28Å; G417-W539 VanDerWaalsContact O-CA 3.3Å; G417-W539 WeakPolarHBondContact O-CA 3.42Å; G417-V540 PolarHBondContact O-N 3.4Å
418L76.4Confident83.5Confident24 Ų2425.7 Ų25.713%0.12614%0.137CC..BIsolated β-bridgetrans-59.2127.5175.7-172.673.1000110.9S416 K420 T537 P538S416-L418 PolarHBondContact O-N 2.9Å; L418-K420 HydrophobicContact CD2-CD 4.15Å; L418-K420 HydrophobicContact CD2-CG 4.1Å; L418-K420 HydrophobicContact CG-CG 4.4Å; L418-K420 PolarHBondContact O-N 2.63Å; L418-T537 HydrophobicContact CD1-CG2 3.81Å; L418-P538 WeakPolarHBondContact CA-O 3.37Å; L418-P538 HydrophobicContact CD1-CG 4.45Å
419A80.7Confident83.6Confident18 Ų1825.6 Ų25.615%0.14914%0.136CC..  trans-83.780.8178.900000111.6G417 P538 V540G417-A419 PolarHBondContact O-N 3.28Å; A419-P538 HydrophobicContact CB-CB 4.05Å; A419-P538 HydrophobicContact CB-CG 4.5Å; A419-P538 PolarHBondContact N-O 2.97Å; A419-V540 HydrophobicContact CB-CG2 3.58Å
420K83.3Confident83.8Confident32 Ų3225.7 Ų25.714%0.13914%0.137CC..  trans-90.2151161.4-75.3-173.4160.8-157.70111.3E335 I366 L367 E368 R414 L418E335-K420 IonicContact OE2-NZ 2.64Å; E335-K420 PolarHBondContact OE2-NZ 2.85Å; I366-K420 CarbonylContact O-C 3.57Å; I366-K420 VanDerWaalsContact O-CA 3.23Å; I366-K420 WeakPolarHBondContact O-CA 3.37Å; I366-K420 WeakPolarHBondContact O-CB 3.39Å; L367-K420 WeakPolarHBondContact O-CD 3.13Å; L367-K420 PolarHBondContact O-NZ 3.21Å; E368-K420 HydrophobicContact CB-CB 3.83Å; E368-K420 HydrophobicContact CG-CB 4.25Å; R414-K420 PolarHBondContact NH1-O 3.04Å; R414-K420 PolarHBondContact NH2-O 3.16Å; L418-K420 HydrophobicContact CD2-CD 4.15Å; L418-K420 HydrophobicContact CD2-CG 4.1Å; L418-K420 HydrophobicContact CG-CG 4.4Å; L418-K420 PolarHBondContact O-N 2.63Å
421K85.3Confident84.1Confident66 Ų6625.2 Ų25.229%0.28714%0.135SC..EExtended strand (participates in β ladder)trans-104.4128.6-177.8-172.5-164.7165.9-174.30110.2L362 I366 L367 E368 N424L362-K421 HydrophobicContact CD1-CD 3.95Å; I366-K421 HydrophobicContact CD1-CB 3.97Å; I366-K421 PolarHBondContact O-N 2.82Å; L367-K421 VanDerWaalsContact CA-O 3.23Å; L367-K421 WeakPolarHBondContact CA-O 3.3Å; L367-K421 HydrophobicContact CD2-CB 4.32Å; L367-K421 VanDerWaalsContact CD2-O 3.32Å; L367-K421 WeakPolarHBondContact CD2-O 3.38Å; E368-K421 PolarHBondContact N-O 2.82Å; E368-K421 VanDerWaalsContact N-O 3.14Å; K421-N424 WeakPolarHBondContact CE-OD1 3.41Å; K421-N424 PolarHBondContact NZ-ND2 2.93Å; K421-N424 PolarHBondContact NZ-OD1 2.81Å
422P90.5Very high84.7Confident9 Ų925 Ų256%0.05814%0.139CC..EExtended strand (participates in β ladder)trans-63.7161.8172.426.4-34.4000111.6E368 R370 L372 M375 N424E368-P422 HydrophobicContact CG-CB 4.17Å; E368-P422 WeakPolarHBondContact OE1-CB 3.36Å; R370-P422 WeakPolarHBondContact O-CA 3.36Å; R370-P422 WeakPolarHBondContact O-CB 3.37Å; L372-P422 HydrophobicContact CB-CB 4.35Å; L372-P422 HydrophobicContact CB-CG 4.2Å; L372-P422 HydrophobicContact CD1-CG 3.61Å; M375-P422 HydrophobicContact SD-CG 3.98Å; P422-N424 PolarHBondContact O-N 2.92Å
423Y91Very high85.8Confident2 Ų225 Ų251%0.00814%0.139CC..EExtended strand (participates in β ladder)trans-59.6130.2169.9-43.9-47.3000109.9L367 R370 L372 P425 W637 V640 T641 L644L367-Y423 HydrophobicContact CB-CD1 4.36Å; L367-Y423 HydrophobicContact CB-CE1 4.12Å; L367-Y423 HydrophobicContact CD1-CD1 4.05Å; L367-Y423 HydrophobicContact CD1-CE1 4.11Å; R370-Y423 VanDerWaalsContact O-CD2 3.31Å; R370-Y423 WeakPolarHBondContact O-CD2 3.32Å; R370-Y423 PolarHBondContact O-N 3.49Å; L372-Y423 PolarHBondContact N-O 2.89Å; L372-Y423 VanDerWaalsContact N-O 3.08Å; Y423-P425 VanDerWaalsContact O-CD 3.24Å; Y423-P425 WeakPolarHBondContact O-CD 3.48Å; Y423-W637 HydrophobicContact CD1-CD2 4.42Å; Y423-W637 AromaticContact CD1-CE3 3.98Å; Y423-W637 HydrophobicContact CD1-CE3 3.98Å; Y423-W637 HydrophobicContact CD1-CZ3 4.31Å; Y423-W637 HydrophobicContact CD2-CB 3.51Å; Y423-W637 AromaticContact CD2-CD1 3.83Å; Y423-W637 AromaticContact CD2-CD2 3.44Å; Y423-W637 HydrophobicContact CD2-CD2 3.44Å; Y423-W637 VanDerWaalsContact CD2-CD2 3.44Å; Y423-W637 AromaticContact CD2-CE3 3.79Å; Y423-W637 HydrophobicContact CD2-CE3 3.79Å; Y423-W637 AromaticContact CD2-CG 3.29Å; Y423-W637 HydrophobicContact CD2-CG 3.29Å; Y423-W637 HydrophobicContact CE1-CE3 4.45Å; Y423-W637 HydrophobicContact CE2-CB 3.4Å; Y423-W637 HydrophobicContact CE2-CD2 4.14Å; Y423-W637 HydrophobicContact CE2-CE3 4.29Å; Y423-W637 AromaticContact CE2-CG 3.77Å; Y423-W637 HydrophobicContact CE2-CG 3.77Å; Y423-W637 HydrophobicContact CG-CB 4.49Å; Y423-W637 AromaticContact CG-CD2 3.6Å; Y423-W637 HydrophobicContact CG-CD2 3.6Å; Y423-W637 AromaticContact CG-CE3 3.61Å; Y423-W637 HydrophobicContact CG-CE3 3.61Å; Y423-W637 AromaticContact CG-CG 3.99Å; Y423-W637 HydrophobicContact CG-CG 3.99Å; Y423-W637 HydrophobicContact CG-CZ3 4.11Å; Y423-V640 HydrophobicContact CE1-CG1 3.75Å; Y423-T641 VanDerWaalsContact OH-CA 3.28Å; Y423-T641 WeakPolarHBondContact OH-CA 3.26Å; Y423-T641 PolarHBondContact OH-N 2.99Å; Y423-T641 PolarHBondContact OH-OG1 2.93Å; Y423-L644 HydrophobicContact CE1-CD1 3.94Å
424N89.5Confident87.1Confident81 Ų8126.8 Ų26.843%0.43314%0.143SC..  trans-62.9115168.3-81.97.7000107.4K421 P422 W637K421-N424 WeakPolarHBondContact CE-OD1 3.41Å; K421-N424 PolarHBondContact NZ-ND2 2.93Å; K421-N424 PolarHBondContact NZ-OD1 2.81Å; P422-N424 PolarHBondContact O-N 2.92Å; N424-W637 VanDerWaalsContact O-CZ2 3.31Å; N424-W637 WeakPolarHBondContact O-CZ2 3.48Å
425P93.4Very high88Confident5 Ų525.2 Ų25.23%0.03214%0.137CC..PPolyproline II helixtrans-67.2144.3-175.2-19.933.2000111.7L372 L373 Y423 E429 Q467L372-P425 HydrophobicContact CB-CG 3.63Å; L373-P425 HydrophobicContact CD1-CB 4.33Å; L373-P425 HydrophobicContact CD2-CG 4.34Å; L373-P425 HydrophobicContact CG-CB 4.13Å; L373-P425 HydrophobicContact CG-CG 3.9Å; Y423-P425 VanDerWaalsContact O-CD 3.24Å; Y423-P425 WeakPolarHBondContact O-CD 3.48Å; P425-E429 VanDerWaalsContact CA-OE2 3.24Å; P425-E429 WeakPolarHBondContact CA-OE2 3.38Å; P425-E429 HydrophobicContact CB-CB 4.27Å; P425-E429 HydrophobicContact CB-CG 4.4Å; P425-Q467 HydrophobicContact CB-CB 3.89Å; P425-Q467 HydrophobicContact CB-CG 3.93Å
426I92.4Very high88.9Confident1 Ų127.1 Ų27.11%0.00515%0.148CC..PPolyproline II helixtrans-82.2152177.768.7174.2000110.7F305 V308 G428 E429 Q467 L636 W637 L659 Q663F305-I426 HydrophobicContact CE1-CD1 4.4Å; F305-I426 HydrophobicContact CZ-CD1 3.75Å; F305-I426 HydrophobicContact CZ-CG1 3.95Å; V308-I426 HydrophobicContact CB-CD1 4.47Å; V308-I426 HydrophobicContact CG1-CD1 3.84Å; V308-I426 HydrophobicContact CG2-CD1 3.87Å; I426-G428 PolarHBondContact O-N 3Å; I426-G428 VanDerWaalsContact O-N 3.16Å; I426-E429 HydrophobicContact CG1-CB 4.01Å; I426-E429 PolarHBondContact N-OE2 3.11Å; I426-E429 WeakPolarHBondContact O-CB 3.28Å; I426-E429 PolarHBondContact O-N 2.74Å; I426-Q467 VanDerWaalsContact O-CB 3.31Å; I426-Q467 WeakPolarHBondContact O-CB 3.26Å; I426-L636 HydrophobicContact CD1-CD1 4.24Å; I426-L636 HydrophobicContact CD1-CD2 4.22Å; I426-L636 HydrophobicContact CG1-CD1 4.38Å; I426-W637 HydrophobicContact CG2-CZ2 4.04Å; I426-L659 HydrophobicContact CD1-CG 4.3Å; I426-L659 HydrophobicContact CG2-CD2 4.42Å; I426-Q663 HydrophobicContact CB-CB 4.4Å; I426-Q663 HydrophobicContact CB-CG 4.05Å; I426-Q663 HydrophobicContact CG2-CB 4.45Å; I426-Q663 HydrophobicContact CG2-CG 4.49Å
427L93.3Very high89.7Confident17 Ų1725.6 Ų25.69%0.08914%0.136CC..THydrogen-bonded Turntrans-57.6120.4-176.3-175.667.6000112F305 H470 W677F305-L427 WeakPolarHBondContact CE2-O 3.23Å; L427-H470 HydrophobicContact CB-CB 4.17Å; L427-H470 HydrophobicContact CD1-CB 4.28Å; L427-W677 HydrophobicContact CD1-CG 4.26Å; L427-W677 HydrophobicContact CD2-CB 3.79Å; L427-W677 HydrophobicContact CD2-CD2 4.18Å; L427-W677 HydrophobicContact CD2-CG 3.72Å; L427-W677 HydrophobicContact CG-CB 4.42Å; L427-W677 HydrophobicContact CG-CD2 4.14Å; L427-W677 HydrophobicContact CG-CG 3.85Å
428G93.8Very high89.5Confident0 Ų031.4 Ų31.40%016%0.159CC..THydrogen-bonded Turntrans89.6-1.5-175.600000115.6F305 I426 Q467 N631 W677F305-G428 WeakPolarHBondContact CE2-O 3.45Å; I426-G428 PolarHBondContact O-N 3Å; I426-G428 VanDerWaalsContact O-N 3.16Å; G428-Q467 PolarHBondContact N-O 3Å; G428-N631 PolarHBondContact O-ND2 3.12Å; G428-W677 VanDerWaalsContact CA-CZ2 3.42Å
429E96.3Very high88.6Confident0 Ų034.4 Ų34.40%018%0.175CC..  trans-60.6139.8169.6-176.6177.7148.100110S371 L373 P425 I426 E466 Q467 N631 S633 L636 W637S371-E429 WeakPolarHBondContact CB-OE1 3.23Å; S371-E429 PolarHBondContact OG-OE1 2.99Å; L373-E429 HydrophobicContact CD1-CB 4.36Å; L373-E429 HydrophobicContact CD1-CG 4.07Å; L373-E429 VanDerWaalsContact CD1-O 3.29Å; L373-E429 WeakPolarHBondContact CD1-O 3.37Å; P425-E429 VanDerWaalsContact CA-OE2 3.24Å; P425-E429 WeakPolarHBondContact CA-OE2 3.38Å; P425-E429 HydrophobicContact CB-CB 4.27Å; P425-E429 HydrophobicContact CB-CG 4.4Å; I426-E429 HydrophobicContact CG1-CB 4.01Å; I426-E429 PolarHBondContact N-OE2 3.11Å; I426-E429 WeakPolarHBondContact O-CB 3.28Å; I426-E429 PolarHBondContact O-N 2.74Å; E429-E466 CarbonylContact O-C 3.36Å; E429-E466 WeakPolarHBondContact O-CA 3.33Å; E429-Q467 HydrophobicContact CB-CB 4.39Å; E429-Q467 PolarHBondContact O-N 2.97Å; E429-N631 CarbonylContact C-O 3.44Å; E429-N631 WeakPolarHBondContact CA-O 3.37Å; E429-S633 WeakPolarHBondContact OE1-CB 3.46Å; E429-S633 PolarHBondContact OE1-OG 2.93Å; E429-L636 HydrophobicContact CB-CD1 4.25Å; E429-L636 HydrophobicContact CG-CD1 3.84Å; E429-W637 VanDerWaalsContact CD-NE1 3.32Å; E429-W637 PolarHBondContact OE1-NE1 3.34Å; E429-W637 PolarHBondContact OE2-NE1 3.49Å
430T97.6Very high87Confident5 Ų537.6 Ų37.63%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-126.5159.8174.856.20000112.1G465 E466 N631 E632 S633 L681T430-G465 CarbonylContact C-O 3.53Å; T430-G465 WeakPolarHBondContact CA-O 3.19Å; T430-G465 VanDerWaalsContact CB-O 3.28Å; T430-G465 WeakPolarHBondContact CB-O 3.28Å; T430-E466 HydrophobicContact CG2-CB 3.96Å; T430-E466 HydrophobicContact CG2-CG 3.85Å; T430-N631 VanDerWaalsContact CG2-ND2 3.29Å; T430-N631 WeakPolarHBondContact CG2-ND2 3.5Å; T430-N631 PolarHBondContact N-O 3.47Å; T430-N631 PolarHBondContact OG1-ND2 2.92Å; T430-N631 PolarHBondContact OG1-O 2.65Å; T430-E632 CarbonylContact O-C 3.53Å; T430-E632 VanDerWaalsContact O-CA 3.24Å; T430-E632 WeakPolarHBondContact O-CA 3.48Å; T430-S633 PolarHBondContact O-N 3.43Å; T430-S633 PolarHBondContact O-OG 2.93Å; T430-L681 HydrophobicContact CG2-CD1 3.69Å; T430-L681 HydrophobicContact CG2-CG 4.21Å
431F98.1Very high85Confident3 Ų342.3 Ų42.31%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-135.3135.1168.1-178-105.8000110L373 E374 A377 C433 F463 V464 G465 K620 R634L373-F431 HydrophobicContact CB-CB 3.68Å; E374-F431 HydrophobicContact CB-CD1 4.08Å; E374-F431 HydrophobicContact CB-CD2 3.89Å; E374-F431 HydrophobicContact CB-CE1 3.95Å; E374-F431 HydrophobicContact CB-CE2 3.75Å; E374-F431 HydrophobicContact CB-CG 4.05Å; E374-F431 HydrophobicContact CB-CZ 3.78Å; E374-F431 HydrophobicContact CG-CD2 4.47Å; E374-F431 HydrophobicContact CG-CE1 3.92Å; E374-F431 HydrophobicContact CG-CE2 3.82Å; E374-F431 HydrophobicContact CG-CZ 3.51Å; E374-F431 VanDerWaalsContact OE2-CE2 3.3Å; E374-F431 WeakPolarHBondContact OE2-CE2 3.37Å; A377-F431 HydrophobicContact CB-CD1 4.04Å; A377-F431 HydrophobicContact CB-CE1 3.61Å; F431-C433 HydrophobicContact CE1-CB 3.83Å; F431-C433 HydrophobicContact CZ-CB 3.97Å; F431-F463 AromaticContact CD1-CD1 3.99Å; F431-F463 HydrophobicContact CD1-CD1 3.99Å; F431-F463 AromaticContact CD1-CE1 3.93Å; F431-F463 HydrophobicContact CD1-CE1 3.93Å; F431-V464 CarbonylContact O-C 3.58Å; F431-V464 VanDerWaalsContact O-CA 3.31Å; F431-V464 WeakPolarHBondContact O-CA 3.2Å; F431-G465 PolarHBondContact N-O 3.3Å; F431-G465 PolarHBondContact O-N 3.11Å; F431-K620 HydrophobicContact CE1-CD 4.23Å; F431-K620 HydrophobicContact CZ-CD 4.05Å; F431-R634 HydrophobicContact CE2-CG 4.25Å
432T97.5Very high82.7Confident47 Ų4743 Ų4329%0.28825%0.25SC..EExtended strand (participates in β ladder)trans-129.3131.3177.1-540000109.7F463 V464T432-F463 WeakPolarHBondContact CA-O 3.28Å; T432-V464 HydrophobicContact CG2-CG1 4.02Å
433C96.6Very high80Confident2 Ų247.3 Ų47.31%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-149.8166.3168.972.30000111.8F431 F463 K620 I621F431-C433 HydrophobicContact CE1-CB 3.83Å; F431-C433 HydrophobicContact CZ-CB 3.97Å; C433-F463 PolarHBondContact N-O 2.92Å; C433-F463 VanDerWaalsContact N-O 3.07Å; C433-F463 PolarHBondContact O-N 3.11Å; C433-K620 HydrophobicContact CB-CB 4.28Å; C433-I621 CarbonylContact C-O 3.55Å; C433-I621 WeakPolarHBondContact CA-O 3.46Å
434K95.9Very high77.1Confident49 Ų4954.8 Ų54.821%0.21332%0.315CS..EExtended strand (participates in β ladder)trans-122158.1174.7-68.5-177.3170.8-171.60111.7G455 E460 I461 I621K434-G455 PolarHBondContact NZ-O 2.77Å; K434-E460 IonicContact NZ-OE1 3.57Å; K434-E460 IonicContact NZ-OE2 3.01Å; K434-E460 PolarHBondContact NZ-OE2 3.22Å; K434-I461 CarbonylContact C-O 3.57Å; K434-I461 VanDerWaalsContact CA-O 3.22Å; K434-I461 WeakPolarHBondContact CA-O 3.49Å; K434-I621 HydrophobicContact CB-CB 4.24Å; K434-I621 PolarHBondContact N-O 3.42Å; K434-I621 WeakPolarHBondContact O-CB 3.4Å; K434-I621 PolarHBondContact O-N 3.15Å
435Y94.4Very high74.5Confident1 Ų158.3 Ų58.30%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-129140.6168.3-58-91.1000109.6A377 M380 I461 A618 K620A377-Y435 PolarHBondContact O-OH 3.01Å; M380-Y435 HydrophobicContact CB-CD2 3.6Å; M380-Y435 HydrophobicContact CB-CE1 4.37Å; M380-Y435 HydrophobicContact CB-CE2 3.33Å; M380-Y435 HydrophobicContact CB-CG 4.22Å; M380-Y435 HydrophobicContact CG-CD2 4.29Å; M380-Y435 HydrophobicContact CG-CE2 4.12Å; Y435-I461 PolarHBondContact N-O 3.02Å; Y435-I461 PolarHBondContact O-N 2.95Å; Y435-A618 HydrophobicContact CD1-CB 4.04Å; Y435-K620 HydrophobicContact CE1-CB 4.32Å; Y435-K620 HydrophobicContact CE1-CG 3.95Å; Y435-K620 WeakPolarHBondContact OH-CG 3.36Å
436K87.2Confident71.5Confident128 Ų12866.2 Ų66.256%0.55737%0.374SS*.EExtended strand (participates in β ladder)trans-95130.2170.2-73.3175.4179.3179.70108.9I621K436-I621 HydrophobicContact CD-CD1 3.83Å; K436-I621 HydrophobicContact CG-CD1 3.76Å
437V79.7Confident68.8Low17 Ų1771.8 Ų71.810%0.10341%0.408CS..  trans-86127.8168.5175.20000108.1P383 D439 I461 Y481P383-V437 HydrophobicContact CB-CG2 3.98Å; P383-V437 HydrophobicContact CG-CG2 4.44Å; V437-D439 VanDerWaalsContact C-N 3.3Å; V437-D439 PolarHBondContact O-N 3.4Å; V437-I461 HydrophobicContact CG2-CD1 3.95Å; V437-I461 HydrophobicContact CG2-CG1 4.2Å; V437-Y481 WeakPolarHBondContact CB-OH 3.24Å; V437-Y481 HydrophobicContact CG2-CE1 3.85Å; V437-Y481 HydrophobicContact CG2-CE2 4.42Å; V437-Y481 WeakPolarHBondContact CG2-OH 3.31Å
438L67.5Low65.9Low152 Ų15278.6 Ų78.680%0.79644%0.444SS*.  trans-9069.8174.4-65.9177.9000109.1G440L438-G440 PolarHBondContact O-N 3.47Å
439D56.5Low62.8Low87 Ų8782 Ų8247%0.46548%0.48SS..  trans-59.4121.3174.3-111.1-22.4000108.7V437 D441 S442V437-D439 VanDerWaalsContact C-N 3.3Å; V437-D439 PolarHBondContact O-N 3.4Å; D439-D441 PolarHBondContact O-N 3.36Å; D439-S442 PolarHBondContact O-N 3.11Å; D439-S442 PolarHBondContact O-OG 2.91Å
440G46.3Very low59.9Low85 Ų8587.9 Ų87.988%0.87652%0.52SS*.THydrogen-bonded Turntrans-71.816.8-162.900000116.4L438L438-G440 PolarHBondContact O-N 3.47Å
441D43.1Very low56.7Low131 Ų13196.9 Ų96.970%0.70156%0.562SS**THydrogen-bonded Turntrans-138.96.2-169.7-143.51.4000113.3D439 S443D439-D441 PolarHBondContact O-N 3.36Å; D441-S443 PolarHBondContact O-N 2.79Å
442S37Very low53.7Low80 Ų80101.9 Ų101.956%0.55960%0.595SS**  trans-69.333-172-57.20000116.3D439D439-S442 PolarHBondContact O-N 3.11Å; D439-S442 PolarHBondContact O-OG 2.91Å
443S32.4Very low50.7Low101 Ų101105.2 Ų105.271%0.70662%0.62SS**SBendtrans-91.21.1-179.462.80000114.8D441D441-S443 PolarHBondContact O-N 2.79Å
444Q30.6Very low47.9Very low158 Ų158110 Ų11074%0.73866%0.66SS**SBendtrans-128.37.9-167.8-59.3-163.62400117.5
445L34.6Very low45.4Very low155 Ų155110.7 Ų110.781%0.81268%0.681SS**  trans-117.762.8-178.2-70.1178.2000114.7
446I30.1Very low43.2Very low171 Ų171113.2 Ų113.288%0.87770%0.696SS**  trans-119.684.5158.9-55-178.8000108.8
447V36.5Very low41.6Very low119 Ų119112 Ų11272%0.72170%0.695SS**  trans-134.297.5173.5-175.90000110.5
448N31.3Very low40.7Very low160 Ų160114.8 Ų114.886%0.85671%0.713SS**  trans37.5102.1149.2-58.1-27.4000119.8
449G30Very low41.1Very low72 Ų72112.7 Ų112.774%0.74270%0.7SS**  trans125.4146.1141.200000116.6
450S34.1Very low42.7Very low122 Ų122109.3 Ų109.385%0.85368%0.681SS**  trans64.2109171.8-54.30000116.5P452S450-P452 WeakPolarHBondContact O-CD 3.38Å
451Q32.2Very low45Very low194 Ų194105.3 Ų105.391%0.90764%0.639SS**PPolyproline II helixtrans-68.9127.9164.7-73-178.8-25.800110.2
452P34.7Very low47.6Very low108 Ų108100 Ų10070%0.70161%0.612SS**PPolyproline II helixtrans-67.7137.6167.4-17.832.2000110.8S450S450-P452 WeakPolarHBondContact O-CD 3.38Å
453S33.3Very low50.5Low118 Ų11896.2 Ų96.283%0.82559%0.586SS**SBendtrans-75.5136.2176.741.50000112.1
454A38.4Very low53.6Low102 Ų10292 Ų9284%0.84356%0.555SS**SBendtrans58.774.4164.700000118.3
455G43.2Very low56.8Low63 Ų6384.5 Ų84.565%0.64952%0.52SS*.SBend104.1-15.7126.600000119.7K434K434-G455 PolarHBondContact NZ-O 2.77Å
456V49Very low59.9Low54 Ų5477.1 Ų77.133%0.32748%0.482SS..  trans-122.7118.6176.8-174.60000109.7P482V456-P482 HydrophobicContact CG1-CG 4.13Å
457L53.9Low63Low104 Ų10469 Ų6955%0.54544%0.44SS..  trans-74.1141.5168.5-65.1170.6000108.4E459 E460L457-E459 PolarHBondContact O-N 3.5Å; L457-E460 HydrophobicContact CB-CG 3.98Å; L457-E460 PolarHBondContact N-OE2 2.93Å; L457-E460 VanDerWaalsContact N-OE2 3.13Å; L457-E460 PolarHBondContact O-N 2.83Å
458P59.7Low65.8Low74 Ų7463.7 Ų63.748%0.48141%0.408SS..THydrogen-bonded Turntrans-61.3-21-172.123-33.6000114.2S483P458-S483 WeakPolarHBondContact O-CB 3.39Å; P458-S483 PolarHBondContact O-OG 3.24Å
459E76Confident68.7Low109 Ų10957.3 Ų57.351%0.50938%0.376SS..THydrogen-bonded Turntrans-89.6-3.7-179-63172.8177.400113.8L457L457-E459 PolarHBondContact O-N 3.5Å
460E89.4Confident71.2Confident16 Ų1656.1 Ų56.18%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-92.5138.7-178.2-66.6176.514000112.5K434 L457K434-E460 IonicContact NZ-OE1 3.57Å; K434-E460 IonicContact NZ-OE2 3.01Å; K434-E460 PolarHBondContact NZ-OE2 3.22Å; L457-E460 HydrophobicContact CB-CG 3.98Å; L457-E460 PolarHBondContact N-OE2 2.93Å; L457-E460 VanDerWaalsContact N-OE2 3.13Å; L457-E460 PolarHBondContact O-N 2.83Å
461I95.8Very high73.3Confident0 Ų056.8 Ų56.80%034%0.34CS..EExtended strand (participates in β ladder)trans-88.3134.2161.4-57.9178.5000107.7M380 P383 F386 K434 Y435 V437 V479 E480 Y481M380-I461 HydrophobicContact CG-CG2 4.24Å; M380-I461 HydrophobicContact SD-CD1 4.22Å; M380-I461 HydrophobicContact SD-CG2 3.92Å; P383-I461 HydrophobicContact CB-CD1 3.46Å; P383-I461 VanDerWaalsContact CB-CD1 3.46Å; F386-I461 HydrophobicContact CD1-CD1 3.95Å; K434-I461 CarbonylContact C-O 3.57Å; K434-I461 VanDerWaalsContact CA-O 3.22Å; K434-I461 WeakPolarHBondContact CA-O 3.49Å; Y435-I461 PolarHBondContact N-O 3.02Å; Y435-I461 PolarHBondContact O-N 2.95Å; V437-I461 HydrophobicContact CG2-CD1 3.95Å; V437-I461 HydrophobicContact CG2-CG1 4.2Å; I461-V479 HydrophobicContact CG2-CG1 3.6Å; I461-E480 WeakPolarHBondContact CA-O 3.35Å; I461-Y481 HydrophobicContact CD1-CD1 4.02Å; I461-Y481 HydrophobicContact CD1-CE1 4.35Å; I461-Y481 HydrophobicContact CD1-CG 4.31Å; I461-Y481 HydrophobicContact CG1-CD1 3.81Å; I461-Y481 HydrophobicContact CG1-CD2 3.84Å; I461-Y481 HydrophobicContact CG1-CE1 4.25Å; I461-Y481 HydrophobicContact CG1-CE2 4.29Å; I461-Y481 HydrophobicContact CG1-CG 3.61Å
462T97Very high75.6Confident21 Ų2150.7 Ų50.713%0.12932%0.317CS..EExtended strand (participates in β ladder)trans-115.4131.7174.4-57.70000110.3V479 E480T462-V479 CarbonylContact O-C 3.59Å; T462-V479 VanDerWaalsContact O-CA 3.3Å; T462-V479 WeakPolarHBondContact O-CA 3.43Å; T462-V479 WeakPolarHBondContact O-CG1 3.07Å; T462-E480 PolarHBondContact N-O 3.31Å; T462-E480 PolarHBondContact O-N 3.04Å
463F98Very high78.1Confident0 Ų047.4 Ų47.40%030%0.296CS..EExtended strand (participates in β ladder)trans-110.4136.4170.8176.5-77.4000109.7Y376 A377 F431 T432 C433 F477 V479Y376-F463 WeakPolarHBondContact O-CE2 3.29Å; A377-F463 HydrophobicContact CB-CD1 3.72Å; A377-F463 HydrophobicContact CB-CD2 3.96Å; A377-F463 HydrophobicContact CB-CE1 3.83Å; A377-F463 HydrophobicContact CB-CE2 4.07Å; A377-F463 HydrophobicContact CB-CG 3.82Å; A377-F463 HydrophobicContact CB-CZ 4.01Å; F431-F463 AromaticContact CD1-CD1 3.99Å; F431-F463 HydrophobicContact CD1-CD1 3.99Å; F431-F463 AromaticContact CD1-CE1 3.93Å; F431-F463 HydrophobicContact CD1-CE1 3.93Å; T432-F463 WeakPolarHBondContact CA-O 3.28Å; C433-F463 PolarHBondContact N-O 2.92Å; C433-F463 VanDerWaalsContact N-O 3.07Å; C433-F463 PolarHBondContact O-N 3.11Å; F463-F477 HydrophobicContact CE2-CB 4.05Å; F463-F477 HydrophobicContact CE2-CD2 4.17Å; F463-F477 HydrophobicContact CE2-CG 4.39Å; F463-F477 HydrophobicContact CZ-CB 3.81Å; F463-V479 HydrophobicContact CD2-CG2 3.62Å; F463-V479 HydrophobicContact CE2-CG2 4.21Å; F463-V479 HydrophobicContact CG-CG2 4.49Å
464V98.1Very high81Confident12 Ų1242.2 Ų42.27%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-132.3141.4165.7-63.10000110.9F431 T432 F477 Y478 L681 Y691F431-V464 CarbonylContact O-C 3.58Å; F431-V464 VanDerWaalsContact O-CA 3.31Å; F431-V464 WeakPolarHBondContact O-CA 3.2Å; T432-V464 HydrophobicContact CG2-CG1 4.02Å; V464-F477 CarbonylContact O-C 3.58Å; V464-F477 WeakPolarHBondContact O-CA 3.45Å; V464-Y478 HydrophobicContact CG2-CD1 4.01Å; V464-Y478 HydrophobicContact CG2-CG 4.48Å; V464-Y478 PolarHBondContact N-O 2.66Å; V464-Y478 PolarHBondContact O-N 3.13Å; V464-L681 HydrophobicContact CB-CD1 4.23Å; V464-Y691 HydrophobicContact CG2-CD2 4.17Å; V464-Y691 HydrophobicContact CG2-CE2 3.8Å
465G98.2Very high83.8Confident0 Ų037.4 Ų37.40%022%0.219CC..EExtended strand (participates in β ladder)trans-132.6153.6172.800000111.8T430 F431 A476T430-G465 CarbonylContact C-O 3.53Å; T430-G465 WeakPolarHBondContact CA-O 3.19Å; T430-G465 VanDerWaalsContact CB-O 3.28Å; T430-G465 WeakPolarHBondContact CB-O 3.28Å; F431-G465 PolarHBondContact N-O 3.3Å; F431-G465 PolarHBondContact O-N 3.11Å; G465-A476 CarbonylContact C-O 3.49Å; G465-A476 VanDerWaalsContact CA-O 3.31Å; G465-A476 WeakPolarHBondContact CA-O 3.47Å
466E98Very high86.4Confident0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-143.9139175.2-174.7168.9-157.500111.3E429 T430 V468 A476 P679 V680 L681 F682E429-E466 CarbonylContact O-C 3.36Å; E429-E466 WeakPolarHBondContact O-CA 3.33Å; T430-E466 HydrophobicContact CG2-CB 3.96Å; T430-E466 HydrophobicContact CG2-CG 3.85Å; E466-V468 HydrophobicContact CB-CG1 4.15Å; E466-V468 HydrophobicContact CG-CG1 4.09Å; E466-V468 PolarHBondContact O-N 3.16Å; E466-V468 VanDerWaalsContact O-N 3.15Å; E466-A476 PolarHBondContact N-O 3.34Å; E466-A476 PolarHBondContact O-N 2.93Å; E466-P679 VanDerWaalsContact OE1-CA 3.3Å; E466-P679 WeakPolarHBondContact OE1-CA 3.45Å; E466-P679 WeakPolarHBondContact OE2-CB 3.46Å; E466-V680 PolarHBondContact OE1-N 3.2Å; E466-V680 PolarHBondContact OE2-N 3.41Å; E466-L681 HydrophobicContact CB-CB 4.47Å; E466-L681 WeakPolarHBondContact OE2-CA 3.19Å; E466-L681 WeakPolarHBondContact OE2-CB 3.24Å; E466-L681 PolarHBondContact OE2-N 3.48Å; E466-F682 HydrophobicContact CB-CD2 3.6Å; E466-F682 HydrophobicContact CB-CE2 3.75Å; E466-F682 PolarHBondContact OE2-N 3.31Å
467Q96.8Very high88.7Confident2 Ų232 Ų321%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-82.387.4168.5-16666.921.900110.1P425 I426 G428 E429 S469 V474 S475P425-Q467 HydrophobicContact CB-CB 3.89Å; P425-Q467 HydrophobicContact CB-CG 3.93Å; I426-Q467 VanDerWaalsContact O-CB 3.31Å; I426-Q467 WeakPolarHBondContact O-CB 3.26Å; G428-Q467 PolarHBondContact N-O 3Å; E429-Q467 HydrophobicContact CB-CB 4.39Å; E429-Q467 PolarHBondContact O-N 2.97Å; Q467-S469 PolarHBondContact NE2-O 2.92Å; Q467-V474 PolarHBondContact NE2-O 3.36Å; Q467-V474 VanDerWaalsContact NE2-O 3.15Å; Q467-S475 PolarHBondContact OE1-OG 3.31Å
468V95.1Very high90.8Very high6 Ų627.2 Ų27.24%0.03615%0.148CC..EExtended strand (participates in β ladder)trans-74.4-25.7-173.7-60.10000113.5E466 V474 A476 P679 F682 W689E466-V468 HydrophobicContact CB-CG1 4.15Å; E466-V468 HydrophobicContact CG-CG1 4.09Å; E466-V468 PolarHBondContact O-N 3.16Å; E466-V468 VanDerWaalsContact O-N 3.15Å; V468-V474 HydrophobicContact CG2-CB 3.76Å; V468-V474 HydrophobicContact CG2-CG1 3.57Å; V468-V474 WeakPolarHBondContact CG2-O 3.38Å; V468-V474 PolarHBondContact N-O 3.25Å; V468-V474 VanDerWaalsContact N-O 3.1Å; V468-A476 HydrophobicContact CG1-CB 3.6Å; V468-A476 HydrophobicContact CG2-CB 4.09Å; V468-P679 HydrophobicContact CB-CB 4.21Å; V468-P679 HydrophobicContact CB-CG 3.83Å; V468-P679 HydrophobicContact CG1-CB 3.91Å; V468-P679 HydrophobicContact CG1-CG 4.1Å; V468-F682 HydrophobicContact CG1-CB 3.9Å; V468-F682 HydrophobicContact CG1-CD2 4.23Å; V468-F682 HydrophobicContact CG1-CG 4.27Å; V468-W689 HydrophobicContact CB-CD2 3.8Å; V468-W689 HydrophobicContact CB-CE3 3.87Å; V468-W689 HydrophobicContact CB-CG 4.33Å; V468-W689 HydrophobicContact CB-CH2 4.31Å; V468-W689 HydrophobicContact CB-CZ2 4.25Å; V468-W689 HydrophobicContact CB-CZ3 4.13Å; V468-W689 HydrophobicContact CG1-CD2 4.15Å; V468-W689 HydrophobicContact CG1-CE3 3.96Å; V468-W689 HydrophobicContact CG1-CG 4.49Å; V468-W689 HydrophobicContact CG1-CZ3 4.47Å; V468-W689 HydrophobicContact CG2-CB 4.47Å; V468-W689 HydrophobicContact CG2-CD2 3.61Å; V468-W689 HydrophobicContact CG2-CE3 4.21Å; V468-W689 HydrophobicContact CG2-CG 3.7Å; V468-W689 HydrophobicContact CG2-CZ2 4.28Å
469S91.3Very high92.7Very high27 Ų2723.8 Ų23.819%0.18913%0.126CC..EExtended strand (participates in β ladder)trans-144.9156.1174.9-178.30000111.7Q467 P472 P473 V474Q467-S469 PolarHBondContact NE2-O 2.92Å; S469-P472 CarbonylContact C-O 3.57Å; S469-P472 VanDerWaalsContact CB-O 3.28Å; S469-P472 WeakPolarHBondContact CB-O 3.41Å; S469-P472 PolarHBondContact OG-O 2.61Å; S469-P473 WeakPolarHBondContact O-CA 3.46Å; S469-V474 PolarHBondContact N-O 2.83Å; S469-V474 PolarHBondContact O-N 3.28Å
470H83.4Confident93.7Very high46 Ų4619.1 Ų19.121%0.21310%0.104CC..EExtended strand (participates in β ladder)trans-118.9-30.8179.3-167.374000113.4L427 P472 P473 Q663L427-H470 HydrophobicContact CB-CB 4.17Å; L427-H470 HydrophobicContact CD1-CB 4.28Å; H470-P472 CarbonylContact C-O 3.47Å; H470-P472 PolarHBondContact N-O 3.07Å; H470-P472 CarbonylContact O-C 3.54Å; H470-P473 WeakPolarHBondContact O-CA 3.03Å; H470-P473 VanDerWaalsContact O-N 3.16Å; H470-Q663 PolarHBondContact CD2-NE2 2.69Å; H470-Q663 PolarHBondContact CE1-NE2 2.9Å; H470-Q663 VanDerWaalsContact CE1-NE2 3.26Å; H470-Q663 PolarHBondContact ND1-NE2 3.17Å; H470-Q663 PolarHBondContact NE2-NE2 3.2Å
471H77Confident94Very high137 Ų13718.5 Ų18.563%0.63410%0.101SC*.THydrogen-bonded Turntrans-131.7100.5171.8-58.5-47.8000109.5
472P81Confident93.9Very high66 Ų6620 Ų2043%0.42911%0.111SC..THydrogen-bonded Turncis-65.4157-1028.4-35000112.8S469 H470 V474 W493S469-P472 CarbonylContact C-O 3.57Å; S469-P472 VanDerWaalsContact CB-O 3.28Å; S469-P472 WeakPolarHBondContact CB-O 3.41Å; S469-P472 PolarHBondContact OG-O 2.61Å; H470-P472 CarbonylContact C-O 3.47Å; H470-P472 PolarHBondContact N-O 3.07Å; H470-P472 CarbonylContact O-C 3.54Å; P472-V474 PolarHBondContact O-N 2.85Å; P472-V474 VanDerWaalsContact O-N 3.11Å; P472-W493 HydrophobicContact CB-CD2 4.48Å; P472-W493 HydrophobicContact CB-CE3 3.75Å; P472-W493 HydrophobicContact CB-CZ3 4.24Å; P472-W493 HydrophobicContact CG-CD2 4.47Å; P472-W493 HydrophobicContact CG-CE3 3.35Å; P472-W493 HydrophobicContact CG-CZ3 3.44Å; P472-W493 VanDerWaalsContact CG-CZ3 3.44Å
473P87.1Confident93.7Very high38 Ų3822.1 Ų22.125%0.24713%0.126CC..EExtended strand (participates in β ladder)trans-7896.5-17730.5-34.5000111S469 H470 W493S469-P473 WeakPolarHBondContact O-CA 3.46Å; H470-P473 WeakPolarHBondContact O-CA 3.03Å; H470-P473 VanDerWaalsContact O-N 3.16Å; P473-W493 WeakPolarHBondContact O-CA 3.37Å; P473-W493 WeakPolarHBondContact O-CB 3.36Å
474V93.8Very high93.5Very high9 Ų923.8 Ų23.86%0.05513%0.134CC..EExtended strand (participates in β ladder)trans-103.2122.3177.7-173.60000109.8Q467 V468 S469 P472 Q491 W493Q467-V474 PolarHBondContact NE2-O 3.36Å; Q467-V474 VanDerWaalsContact NE2-O 3.15Å; V468-V474 HydrophobicContact CG2-CB 3.76Å; V468-V474 HydrophobicContact CG2-CG1 3.57Å; V468-V474 WeakPolarHBondContact CG2-O 3.38Å; V468-V474 PolarHBondContact N-O 3.25Å; V468-V474 VanDerWaalsContact N-O 3.1Å; S469-V474 PolarHBondContact N-O 2.83Å; S469-V474 PolarHBondContact O-N 3.28Å; P472-V474 PolarHBondContact O-N 2.85Å; P472-V474 VanDerWaalsContact O-N 3.11Å; V474-Q491 HydrophobicContact CG1-CB 4.34Å; V474-W493 HydrophobicContact CG2-CB 4.05Å; V474-W493 HydrophobicContact CG2-CD2 4.41Å; V474-W493 HydrophobicContact CG2-CE3 3.68Å
475S97Very high93.3Very high1 Ų127 Ų271%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-99.3125.9164.7-52.90000109Q467 Q491 I492Q467-S475 PolarHBondContact OE1-OG 3.31Å; S475-Q491 WeakPolarHBondContact O-CA 3.25Å; S475-I492 PolarHBondContact N-O 3.48Å; S475-I492 PolarHBondContact O-N 2.85Å
476A98Very high93.3Very high0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-101.9145.816900000109.8G465 E466 V468 F682 W689G465-A476 CarbonylContact C-O 3.49Å; G465-A476 VanDerWaalsContact CA-O 3.31Å; G465-A476 WeakPolarHBondContact CA-O 3.47Å; E466-A476 PolarHBondContact N-O 3.34Å; E466-A476 PolarHBondContact O-N 2.93Å; V468-A476 HydrophobicContact CG1-CB 3.6Å; V468-A476 HydrophobicContact CG2-CB 4.09Å; A476-F682 HydrophobicContact CB-CB 4.31Å; A476-F682 HydrophobicContact CB-CD1 3.61Å; A476-F682 HydrophobicContact CB-CD2 3.89Å; A476-F682 HydrophobicContact CB-CE1 3.85Å; A476-F682 HydrophobicContact CB-CE2 4.12Å; A476-F682 HydrophobicContact CB-CG 3.65Å; A476-F682 HydrophobicContact CB-CZ 4.12Å; A476-W689 HydrophobicContact CB-CB 3.82Å
477F98.2Very high93.3Very high3 Ų327.6 Ų27.61%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-141.5157.7176.368.7-87.3000112.2F379 F463 V464 V479 V488 N489 G490 I492 T511 F526 F682F379-F477 HydrophobicContact CD2-CE2 4.11Å; F379-F477 HydrophobicContact CD2-CZ 4.2Å; F379-F477 HydrophobicContact CE2-CE1 4.23Å; F379-F477 HydrophobicContact CE2-CE2 4.2Å; F379-F477 AromaticContact CE2-CZ 3.83Å; F379-F477 HydrophobicContact CE2-CZ 3.83Å; F463-F477 HydrophobicContact CE2-CB 4.05Å; F463-F477 HydrophobicContact CE2-CD2 4.17Å; F463-F477 HydrophobicContact CE2-CG 4.39Å; F463-F477 HydrophobicContact CZ-CB 3.81Å; V464-F477 CarbonylContact O-C 3.58Å; V464-F477 WeakPolarHBondContact O-CA 3.45Å; F477-V479 HydrophobicContact CD2-CG2 4.42Å; F477-V488 HydrophobicContact CE2-CG1 4.01Å; F477-N489 PolarHBondContact O-ND2 2.7Å; F477-G490 WeakPolarHBondContact CD1-O 3.41Å; F477-G490 PolarHBondContact N-O 3.19Å; F477-G490 PolarHBondContact O-N 3.39Å; F477-I492 HydrophobicContact CE1-CD1 3.86Å; F477-I492 HydrophobicContact CE1-CG1 4.13Å; F477-T511 HydrophobicContact CE2-CG2 4.14Å; F477-T511 HydrophobicContact CZ-CG2 3.86Å; F477-T511 WeakPolarHBondContact CZ-OG1 3.48Å; F477-F526 HydrophobicContact CZ-CE2 4.41Å; F477-F526 HydrophobicContact CZ-CZ 4.3Å; F477-F682 VanDerWaalsContact C-CZ 3.49Å
478Y98.6Very high93.4Very high4 Ų427.6 Ų27.62%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-147.6139.9179.1173.2-90.7000110.3V464 E480 Q487 V488 N489 Y691 P694 L695V464-Y478 HydrophobicContact CG2-CD1 4.01Å; V464-Y478 HydrophobicContact CG2-CG 4.48Å; V464-Y478 PolarHBondContact N-O 2.66Å; V464-Y478 PolarHBondContact O-N 3.13Å; Y478-E480 HydrophobicContact CE1-CB 3.91Å; Y478-E480 HydrophobicContact CE1-CG 3.86Å; Y478-E480 WeakPolarHBondContact CE1-OE2 3.09Å; Y478-E480 PolarHBondContact OH-OE2 3.4Å; Y478-Q487 HydrophobicContact CE2-CB 4.05Å; Y478-V488 CarbonylContact C-O 3.51Å; Y478-V488 WeakPolarHBondContact CA-O 3.36Å; Y478-V488 WeakPolarHBondContact CD2-O 3.27Å; Y478-N489 HydrophobicContact CD2-CB 4.13Å; Y478-Y691 AromaticContact CD1-CD1 3.48Å; Y478-Y691 HydrophobicContact CD1-CD1 3.48Å; Y478-Y691 VanDerWaalsContact CD1-CD1 3.48Å; Y478-Y691 HydrophobicContact CD1-CD2 4.43Å; Y478-Y691 AromaticContact CD1-CE1 3.72Å; Y478-Y691 HydrophobicContact CD1-CE1 3.72Å; Y478-Y691 AromaticContact CD1-CG 3.87Å; Y478-Y691 HydrophobicContact CD1-CG 3.87Å; Y478-Y691 AromaticContact CD2-CD1 3.86Å; Y478-Y691 HydrophobicContact CD2-CD1 3.86Å; Y478-Y691 AromaticContact CD2-CG 3.98Å; Y478-Y691 HydrophobicContact CD2-CG 3.98Å; Y478-Y691 AromaticContact CE1-CD1 3.58Å; Y478-Y691 HydrophobicContact CE1-CD1 3.58Å; Y478-Y691 AromaticContact CE1-CE1 3.68Å; Y478-Y691 HydrophobicContact CE1-CE1 3.68Å; Y478-Y691 HydrophobicContact CE1-CG 4.41Å; Y478-Y691 AromaticContact CE2-CD1 3.96Å; Y478-Y691 HydrophobicContact CE2-CD1 3.96Å; Y478-Y691 AromaticContact CG-CD1 3.63Å; Y478-Y691 HydrophobicContact CG-CD1 3.63Å; Y478-Y691 HydrophobicContact CG-CD2 4.34Å; Y478-Y691 HydrophobicContact CG-CE1 4.32Å; Y478-Y691 AromaticContact CG-CG 3.64Å; Y478-Y691 HydrophobicContact CG-CG 3.64Å; Y478-Y691 AromaticContact CZ-CD1 3.84Å; Y478-P694 HydrophobicContact CE2-CB 3.99Å; Y478-L695 WeakPolarHBondContact OH-CB 3.03Å; Y478-L695 PolarHBondContact OH-N 3.4Å
479V98.2Very high93.5Very high2 Ų228.7 Ų28.71%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-132.5145.1179.1-1630000109M380 I461 T462 F463 F477 Q487 V488M380-V479 HydrophobicContact CE-CG1 3.97Å; M380-V479 HydrophobicContact CE-CG2 4.47Å; M380-V479 HydrophobicContact CG-CG1 3.9Å; M380-V479 HydrophobicContact SD-CG1 3.93Å; I461-V479 HydrophobicContact CG2-CG1 3.6Å; T462-V479 CarbonylContact O-C 3.59Å; T462-V479 VanDerWaalsContact O-CA 3.3Å; T462-V479 WeakPolarHBondContact O-CA 3.43Å; T462-V479 WeakPolarHBondContact O-CG1 3.07Å; F463-V479 HydrophobicContact CD2-CG2 3.62Å; F463-V479 HydrophobicContact CE2-CG2 4.21Å; F463-V479 HydrophobicContact CG-CG2 4.49Å; F477-V479 HydrophobicContact CD2-CG2 4.42Å; V479-Q487 CarbonylContact O-C 3.46Å; V479-Q487 VanDerWaalsContact O-CA 3.24Å; V479-Q487 WeakPolarHBondContact O-CA 3.32Å; V479-V488 HydrophobicContact CB-CB 4.07Å; V479-V488 HydrophobicContact CB-CG2 4.4Å; V479-V488 HydrophobicContact CG2-CB 4.23Å; V479-V488 PolarHBondContact N-O 3.38Å; V479-V488 PolarHBondContact O-N 3.11Å
480E97Very high93.8Very high12 Ų1227.5 Ų27.56%0.05615%0.148CC..EExtended strand (participates in β ladder)trans-143.2151.1170.958.7174.9-121.900113.6I461 T462 Y478 L486 L695 R698I461-E480 WeakPolarHBondContact CA-O 3.35Å; T462-E480 PolarHBondContact N-O 3.31Å; T462-E480 PolarHBondContact O-N 3.04Å; Y478-E480 HydrophobicContact CE1-CB 3.91Å; Y478-E480 HydrophobicContact CE1-CG 3.86Å; Y478-E480 WeakPolarHBondContact CE1-OE2 3.09Å; Y478-E480 PolarHBondContact OH-OE2 3.4Å; E480-L486 WeakPolarHBondContact CA-O 3.39Å; E480-L695 HydrophobicContact CB-CB 4.45Å; E480-L695 HydrophobicContact CB-CD2 4.46Å; E480-R698 IonicContact OE1-CZ 3.66Å; E480-R698 IonicContact OE1-NH1 3.89Å; E480-R698 IonicContact OE1-NH2 2.64Å; E480-R698 PolarHBondContact OE1-NH2 2.83Å; E480-R698 IonicContact OE2-CZ 2.73Å; E480-R698 IonicContact OE2-NH2 2.65Å; E480-R698 PolarHBondContact OE2-NH2 2.9Å
481Y96.1Very high94.4Very high3 Ų326.4 Ų26.41%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-132.891.9170.5-168.9-173.1000108.8F386 V437 I461 S483 K484 Q485 L486F386-Y481 HydrophobicContact CD1-CD1 4.3Å; V437-Y481 WeakPolarHBondContact CB-OH 3.24Å; V437-Y481 HydrophobicContact CG2-CE1 3.85Å; V437-Y481 HydrophobicContact CG2-CE2 4.42Å; V437-Y481 WeakPolarHBondContact CG2-OH 3.31Å; I461-Y481 HydrophobicContact CD1-CD1 4.02Å; I461-Y481 HydrophobicContact CD1-CE1 4.35Å; I461-Y481 HydrophobicContact CD1-CG 4.31Å; I461-Y481 HydrophobicContact CG1-CD1 3.81Å; I461-Y481 HydrophobicContact CG1-CD2 3.84Å; I461-Y481 HydrophobicContact CG1-CE1 4.25Å; I461-Y481 HydrophobicContact CG1-CE2 4.29Å; I461-Y481 HydrophobicContact CG1-CG 3.61Å; Y481-S483 WeakPolarHBondContact CE2-OG 3.37Å; Y481-S483 PolarHBondContact O-N 3.33Å; Y481-K484 HydrophobicContact CD1-CB 3.76Å; Y481-K484 HydrophobicContact CD1-CG 3.53Å; Y481-K484 HydrophobicContact CE1-CB 4.08Å; Y481-K484 HydrophobicContact CE1-CD 4.46Å; Y481-K484 HydrophobicContact CE1-CG 3.29Å; Y481-K484 HydrophobicContact CE2-CG 4.44Å; Y481-K484 HydrophobicContact CG-CB 4.14Å; Y481-K484 HydrophobicContact CG-CG 4.2Å; Y481-K484 PolarHBondContact O-N 2.95Å; Y481-Q485 PolarHBondContact O-N 2.89Å; Y481-L486 PolarHBondContact N-O 2.85Å; Y481-L486 PolarHBondContact O-N 3.07Å
482P93.7Very high95.3Very high32 Ų3220 Ų2021%0.20811%0.114CC..THydrogen-bonded Turntrans-60.2-40.6-166.8-29.837.8000115.5V456 Q485 L695V456-P482 HydrophobicContact CG1-CG 4.13Å; P482-Q485 PolarHBondContact O-N 2.84Å; P482-Q485 VanDerWaalsContact O-N 3.14Å; P482-L695 HydrophobicContact CB-CD1 4.14Å; P482-L695 HydrophobicContact CG-CD1 4.36Å
483S92.2Very high95.7Very high64 Ų6421.3 Ų21.345%0.44811%0.11SC..THydrogen-bonded Turntrans-66.2-39.8-179.7480000113.5P458 Y481 Q485P458-S483 WeakPolarHBondContact O-CB 3.39Å; P458-S483 PolarHBondContact O-OG 3.24Å; Y481-S483 WeakPolarHBondContact CE2-OG 3.37Å; Y481-S483 PolarHBondContact O-N 3.33Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.19Å
484K94Very high95.8Very high36 Ų3620.9 Ų20.916%0.15711%0.107CC..THydrogen-bonded Turntrans-80-6173.2-63.2-68.5179165.90113.1A390 D391 Y481 L486A390-K484 HydrophobicContact CB-CB 3.8Å; A390-K484 HydrophobicContact CB-CD 4.29Å; A390-K484 WeakPolarHBondContact CB-O 3.08Å; D391-K484 VanDerWaalsContact CG-NZ 3.26Å; D391-K484 IonicContact OD1-NZ 3.43Å; D391-K484 PolarHBondContact OD1-NZ 3.27Å; D391-K484 IonicContact OD2-NZ 3.22Å; D391-K484 PolarHBondContact OD2-NZ 3.32Å; Y481-K484 HydrophobicContact CD1-CB 3.76Å; Y481-K484 HydrophobicContact CD1-CG 3.53Å; Y481-K484 HydrophobicContact CE1-CB 4.08Å; Y481-K484 HydrophobicContact CE1-CD 4.46Å; Y481-K484 HydrophobicContact CE1-CG 3.29Å; Y481-K484 HydrophobicContact CE2-CG 4.44Å; Y481-K484 HydrophobicContact CG-CB 4.14Å; Y481-K484 HydrophobicContact CG-CG 4.2Å; Y481-K484 PolarHBondContact O-N 2.95Å; K484-L486 VanDerWaalsContact C-N 3.29Å; K484-L486 HydrophobicContact CB-CD1 4.01Å; K484-L486 HydrophobicContact CB-CG 4.04Å; K484-L486 PolarHBondContact O-N 3.5Å
485Q95.3Very high95.5Very high78 Ų7826.1 Ų26.136%0.36413%0.129SC..THydrogen-bonded Turntrans53.741.7-175.3-52.5-175.210.700113.6Y481 P482 S483 L516 K517Y481-Q485 PolarHBondContact O-N 2.89Å; P482-Q485 PolarHBondContact O-N 2.84Å; P482-Q485 VanDerWaalsContact O-N 3.14Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.19Å; Q485-L516 HydrophobicContact CB-CB 4.17Å; Q485-L516 WeakPolarHBondContact O-CB 3.48Å; Q485-L516 WeakPolarHBondContact O-CG 3.49Å; Q485-L516 PolarHBondContact O-N 3.15Å; Q485-K517 HydrophobicContact CB-CB 4.42Å
486L97.4Very high95Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-102.4141.3174.9-61.2171.6000110.1F386 I389 A390 E480 Y481 K484 L513 V515F386-L486 HydrophobicContact CD1-CD1 3.92Å; F386-L486 HydrophobicContact CD2-CD1 4.47Å; F386-L486 HydrophobicContact CE1-CB 3.72Å; F386-L486 HydrophobicContact CE1-CD1 3.86Å; F386-L486 HydrophobicContact CE1-CG 4.46Å; F386-L486 HydrophobicContact CE2-CB 4.46Å; F386-L486 HydrophobicContact CE2-CD1 4.42Å; F386-L486 HydrophobicContact CG-CD1 4.24Å; F386-L486 HydrophobicContact CZ-CB 3.64Å; F386-L486 HydrophobicContact CZ-CD1 4.12Å; F386-L486 HydrophobicContact CZ-CG 4.48Å; F386-L486 WeakPolarHBondContact O-CD1 3.2Å; I389-L486 HydrophobicContact CB-CD1 4.49Å; I389-L486 HydrophobicContact CB-CD2 4.43Å; I389-L486 HydrophobicContact CG2-CD2 4.35Å; A390-L486 HydrophobicContact CB-CD1 4.22Å; A390-L486 HydrophobicContact CB-CD2 3.98Å; A390-L486 HydrophobicContact CB-CG 4.05Å; E480-L486 WeakPolarHBondContact CA-O 3.39Å; Y481-L486 PolarHBondContact N-O 2.85Å; Y481-L486 PolarHBondContact O-N 3.07Å; K484-L486 VanDerWaalsContact C-N 3.29Å; K484-L486 HydrophobicContact CB-CD1 4.01Å; K484-L486 HydrophobicContact CB-CG 4.04Å; K484-L486 PolarHBondContact O-N 3.5Å; L486-L513 HydrophobicContact CD2-CD1 4.34Å; L486-V515 HydrophobicContact CD2-CB 4.23Å; L486-V515 HydrophobicContact CD2-CG1 3.99Å; L486-V515 HydrophobicContact CD2-CG2 3.9Å
487Q97.8Very high94.3Very high13 Ų1330.5 Ų30.56%0.06115%0.151CC..EExtended strand (participates in β ladder)trans-140.4150.9166.760171.537.700110.6Y478 V479 L513 S514 L516 L695Y478-Q487 HydrophobicContact CE2-CB 4.05Å; V479-Q487 CarbonylContact O-C 3.46Å; V479-Q487 VanDerWaalsContact O-CA 3.24Å; V479-Q487 WeakPolarHBondContact O-CA 3.32Å; Q487-L513 CarbonylContact O-C 3.56Å; Q487-L513 WeakPolarHBondContact O-CA 3.48Å; Q487-L513 WeakPolarHBondContact O-CD1 3.37Å; Q487-S514 PolarHBondContact N-O 2.87Å; Q487-S514 VanDerWaalsContact N-O 3.14Å; Q487-S514 PolarHBondContact NE2-OG 2.99Å; Q487-S514 PolarHBondContact O-N 2.86Å; Q487-L516 HydrophobicContact CG-CD1 4.26Å; Q487-L516 HydrophobicContact CG-CD2 4.17Å; Q487-L516 HydrophobicContact CG-CG 4.28Å; Q487-L695 HydrophobicContact CB-CB 4.37Å
488V98.5Very high93.6Very high2 Ų230.8 Ų30.81%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-126.9134.3172-177.30000107.8F386 W405 F477 Y478 V479 T511 C512 L513F386-V488 HydrophobicContact CE2-CG2 3.59Å; F386-V488 HydrophobicContact CZ-CG2 3.76Å; W405-V488 HydrophobicContact CH2-CG2 3.8Å; W405-V488 HydrophobicContact CZ2-CG2 4.28Å; F477-V488 HydrophobicContact CE2-CG1 4.01Å; Y478-V488 CarbonylContact C-O 3.51Å; Y478-V488 WeakPolarHBondContact CA-O 3.36Å; Y478-V488 WeakPolarHBondContact CD2-O 3.27Å; V479-V488 HydrophobicContact CB-CB 4.07Å; V479-V488 HydrophobicContact CB-CG2 4.4Å; V479-V488 HydrophobicContact CG2-CB 4.23Å; V479-V488 PolarHBondContact N-O 3.38Å; V479-V488 PolarHBondContact O-N 3.11Å; V488-T511 HydrophobicContact CG1-CG2 3.33Å; V488-C512 CarbonylContact C-O 3.46Å; V488-C512 VanDerWaalsContact CA-O 3.29Å; V488-C512 WeakPolarHBondContact CA-O 3.46Å; V488-L513 HydrophobicContact CG2-CB 4.27Å; V488-L513 HydrophobicContact CG2-CD1 4Å
489N98.3Very high92.7Very high29 Ų2930.7 Ų30.716%0.15515%0.152CC..EExtended strand (participates in β ladder)trans-127.3130.6165172.5-132.1000108.1F477 Y478 T511 C512 W689 I690F477-N489 PolarHBondContact O-ND2 2.7Å; Y478-N489 HydrophobicContact CD2-CB 4.13Å; N489-T511 WeakPolarHBondContact O-CA 3.36Å; N489-C512 PolarHBondContact N-O 2.87Å; N489-C512 PolarHBondContact O-N 2.88Å; N489-W689 PolarHBondContact ND2-O 3.22Å; N489-W689 VanDerWaalsContact ND2-O 3.08Å; N489-W689 PolarHBondContact OD1-O 3.48Å; N489-I690 WeakPolarHBondContact OD1-CD1 3.42Å
490G97.4Very high91.6Very high2 Ų230.7 Ų30.72%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-149.2160.7-179.800000113F477 Q510F477-G490 WeakPolarHBondContact CD1-O 3.41Å; F477-G490 PolarHBondContact N-O 3.19Å; F477-G490 PolarHBondContact O-N 3.39Å; G490-Q510 WeakPolarHBondContact CA-O 3.32Å
491Q96Very high90.5Very high24 Ų2431.8 Ų31.811%0.11216%0.158CC..EExtended strand (participates in β ladder)trans-137.2141174.266.6-176.923.100109.9V474 S475 G509 Q510 E687 N688 W689V474-Q491 HydrophobicContact CG1-CB 4.34Å; S475-Q491 WeakPolarHBondContact O-CA 3.25Å; Q491-G509 WeakPolarHBondContact O-CA 3.48Å; Q491-Q510 PolarHBondContact N-O 3.31Å; Q491-Q510 PolarHBondContact O-N 3Å; Q491-E687 PolarHBondContact NE2-O 3.16Å; Q491-N688 PolarHBondContact NE2-OD1 3.43Å; Q491-N688 VanDerWaalsContact OE1-CA 3.3Å; Q491-W689 VanDerWaalsContact OE1-CD1 3.23Å
492I94.9Very high89.8Confident2 Ų232.2 Ų32.21%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-135.6125.8175.5-57.3162.5000107.6Y376 F379 S475 F477 T494 N507 F526Y376-I492 HydrophobicContact CD1-CD1 3.85Å; Y376-I492 HydrophobicContact CE1-CD1 3.37Å; Y376-I492 HydrophobicContact CE2-CB 4.43Å; Y376-I492 HydrophobicContact CE2-CD1 4.17Å; Y376-I492 HydrophobicContact CG-CD1 4.43Å; Y376-I492 VanDerWaalsContact OH-CG2 3.3Å; Y376-I492 WeakPolarHBondContact OH-CG2 3.45Å; F379-I492 HydrophobicContact CE2-CD1 4.42Å; F379-I492 HydrophobicContact CZ-CD1 4.33Å; S475-I492 PolarHBondContact N-O 3.48Å; S475-I492 PolarHBondContact O-N 2.85Å; F477-I492 HydrophobicContact CE1-CD1 3.86Å; F477-I492 HydrophobicContact CE1-CG1 4.13Å; I492-T494 HydrophobicContact CG2-CG2 4.37Å; I492-N507 HydrophobicContact CG2-CB 4.07Å; I492-F526 HydrophobicContact CD1-CD2 3.78Å; I492-F526 HydrophobicContact CD1-CE2 3.58Å; I492-F526 HydrophobicContact CD1-CZ 4.27Å; I492-F526 HydrophobicContact CG1-CD2 3.98Å; I492-F526 HydrophobicContact CG1-CE2 3.93Å
493W91.2Very high89.5Confident94 Ų9432.1 Ų32.136%0.35616%0.159SC..EExtended strand (participates in β ladder)trans-103.3160.5153.560.621.9000110P472 P473 V474 V508P472-W493 HydrophobicContact CB-CD2 4.48Å; P472-W493 HydrophobicContact CB-CE3 3.75Å; P472-W493 HydrophobicContact CB-CZ3 4.24Å; P472-W493 HydrophobicContact CG-CD2 4.47Å; P472-W493 HydrophobicContact CG-CE3 3.35Å; P472-W493 HydrophobicContact CG-CZ3 3.44Å; P472-W493 VanDerWaalsContact CG-CZ3 3.44Å; P473-W493 WeakPolarHBondContact O-CA 3.37Å; P473-W493 WeakPolarHBondContact O-CB 3.36Å; V474-W493 HydrophobicContact CG2-CB 4.05Å; V474-W493 HydrophobicContact CG2-CD2 4.41Å; V474-W493 HydrophobicContact CG2-CE3 3.68Å; W493-V508 PolarHBondContact N-O 3.45Å; W493-V508 VanDerWaalsContact NE1-CG1 3.31Å; W493-V508 PolarHBondContact O-N 2.98Å
494T89.1Confident89.4Confident28 Ų2829.1 Ų29.117%0.17214%0.138CC..EExtended strand (participates in β ladder)trans-119.2139.1178.454.50000111.5I492 V505 H506I492-T494 HydrophobicContact CG2-CG2 4.37Å; T494-V505 HydrophobicContact CG2-CG1 3.87Å; T494-H506 WeakPolarHBondContact CA-O 3.1Å
495K86.6Confident89.2Confident119 Ų11929.8 Ų29.852%0.51715%0.145SC..EExtended strand (participates in β ladder)trans-117.7123.2170.2-63.6-176.9178.1-1760108.2V505 H506K495-V505 WeakPolarHBondContact O-CA 3.34Å; K495-H506 HydrophobicContact CB-CB 4.36Å; K495-H506 PolarHBondContact N-O 2.85Å; K495-H506 PolarHBondContact O-N 3.15Å
496S86.2Confident89.1Confident23 Ų2327.7 Ų27.716%0.16114%0.135CC..EExtended strand (participates in β ladder)trans-117.4124.8-168.6-58.50000111.7D356 L357 A504D356-S496 WeakPolarHBondContact CA-O 3.48Å; L357-S496 PolarHBondContact N-O 2.99Å; S496-A504 CarbonylContact C-O 3.55Å; S496-A504 WeakPolarHBondContact CA-O 3.44Å
497K84.7Confident88.8Confident71 Ų7129.3 Ų29.331%0.30914%0.144SC..EExtended strand (participates in β ladder)trans-117.4142.7-179.5-58.2171.9178.3155.20112D58 L357 L499 M503 A504 H506D58-K497 WeakPolarHBondContact OD1-CD 3.17Å; D58-K497 IonicContact OD1-NZ 2.7Å; D58-K497 PolarHBondContact OD1-NZ 2.54Å; D58-K497 IonicContact OD2-NZ 2.64Å; L357-K497 VanDerWaalsContact CD1-C 3.42Å; L357-K497 WeakPolarHBondContact CD1-O 3.49Å; K497-L499 HydrophobicContact CB-CD2 4.28Å; K497-M503 CarbonylContact O-C 3.56Å; K497-M503 WeakPolarHBondContact O-CA 3.37Å; K497-A504 HydrophobicContact CB-CB 4.2Å; K497-A504 PolarHBondContact N-O 3.32Å; K497-A504 PolarHBondContact O-N 3.08Å; K497-H506 WeakPolarHBondContact CE-NE2 3.5Å; K497-H506 PolarHBondContact NZ-NE2 2.93Å
498F82.2Confident88.5Confident8 Ų831.8 Ų31.84%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-81.9126.4164.6-175.5-122000111.2L348 L351 T352 V353 G354 M355 L357 G500 M503 I534L348-F498 HydrophobicContact CB-CE2 4.38Å; L348-F498 HydrophobicContact CB-CZ 4.2Å; L348-F498 HydrophobicContact CD1-CE2 4.32Å; L348-F498 HydrophobicContact CD2-CD2 4.44Å; L348-F498 HydrophobicContact CD2-CE2 3.84Å; L348-F498 HydrophobicContact CD2-CZ 4.46Å; L348-F498 HydrophobicContact CG-CE2 4.4Å; L351-F498 HydrophobicContact CB-CD1 3.45Å; L351-F498 VanDerWaalsContact CB-CD1 3.45Å; L351-F498 HydrophobicContact CB-CE1 3.61Å; L351-F498 HydrophobicContact CB-CG 3.93Å; L351-F498 HydrophobicContact CB-CZ 4.23Å; L351-F498 HydrophobicContact CD1-CB 4.26Å; L351-F498 HydrophobicContact CD1-CD1 4.1Å; L351-F498 HydrophobicContact CD1-CD2 3.65Å; L351-F498 HydrophobicContact CD1-CE1 4.33Å; L351-F498 HydrophobicContact CD1-CE2 3.92Å; L351-F498 HydrophobicContact CD1-CG 3.75Å; L351-F498 HydrophobicContact CD1-CZ 4.23Å; L351-F498 HydrophobicContact CG-CD1 4.44Å; T352-F498 WeakPolarHBondContact O-CD1 3.37Å; V353-F498 HydrophobicContact CG2-CE1 4.44Å; G354-F498 PolarHBondContact N-O 3.18Å; M355-F498 PolarHBondContact O-N 3.4Å; L357-F498 HydrophobicContact CD2-CB 4.04Å; L357-F498 HydrophobicContact CG-CB 4.24Å; F498-G500 VanDerWaalsContact CZ-CA 3.41Å; F498-G500 VanDerWaalsContact CZ-O 3.28Å; F498-G500 WeakPolarHBondContact CZ-O 3.08Å; F498-M503 HydrophobicContact CD2-CG 4.22Å; F498-I534 HydrophobicContact CD2-CD1 4.37Å; F498-I534 HydrophobicContact CE2-CD1 3.71Å
499L80.6Confident88.1Confident3 Ų333.2 Ų33.22%0.01618%0.175CC..  trans-111.421.2178.6-53.4-179.7000112.6G55 L56 D58 K497 L501 S502 A504 Y530G55-L499 VanDerWaalsContact CA-O 3.28Å; G55-L499 WeakPolarHBondContact CA-O 3.41Å; L56-L499 HydrophobicContact CB-CD2 4.43Å; L56-L499 PolarHBondContact N-O 3.04Å; D58-L499 HydrophobicContact CB-CD1 3.7Å; D58-L499 HydrophobicContact CB-CD2 4.02Å; K497-L499 HydrophobicContact CB-CD2 4.28Å; L499-L501 VanDerWaalsContact C-N 3.27Å; L499-L501 PolarHBondContact O-N 2.96Å; L499-S502 CarbonylContact C-O 3.59Å; L499-S502 WeakPolarHBondContact CA-O 3.36Å; L499-S502 WeakPolarHBondContact CB-O 3.45Å; L499-S502 PolarHBondContact N-O 3.38Å; L499-A504 HydrophobicContact CD1-CB 4.04Å; L499-A504 HydrophobicContact CG-CB 4.31Å; L499-Y530 HydrophobicContact CD1-CD1 4.05Å; L499-Y530 HydrophobicContact CD1-CE1 4.05Å
500G73.8Confident87.6Confident2 Ų236.1 Ų36.12%0.02119%0.187CC..SBendtrans80.2-62.1178.400000114.1V54 F498V54-G500 WeakPolarHBondContact O-CA 2.9Å; F498-G500 VanDerWaalsContact CZ-CA 3.41Å; F498-G500 VanDerWaalsContact CZ-O 3.28Å; F498-G500 WeakPolarHBondContact CZ-O 3.08Å
501L74.3Confident87.7Confident34 Ų3436.1 Ų36.118%0.17819%0.187CC..SBendtrans-112.77.8176.5-64176.9000112.9V53 T67 M72 L499 S533 L535V53-L501 HydrophobicContact CB-CD2 4.22Å; V53-L501 HydrophobicContact CG1-CD2 3.74Å; V53-L501 HydrophobicContact CG1-CG 3.96Å; T67-L501 HydrophobicContact CG2-CD1 4.41Å; T67-L501 WeakPolarHBondContact OG1-CD1 3.15Å; M72-L501 HydrophobicContact CE-CD1 3.68Å; L499-L501 VanDerWaalsContact C-N 3.27Å; L499-L501 PolarHBondContact O-N 2.96Å; L501-S533 PolarHBondContact O-N 3.25Å; L501-L535 HydrophobicContact CD2-CD1 3.56Å; L501-L535 HydrophobicContact CD2-CG 4.47Å
502S82.5Confident87.8Confident13 Ų1336 Ų369%0.09119%0.189CC..EExtended strand (participates in β ladder)trans-151168.3175.8-63.90000109.7L499 G531 R532L499-S502 CarbonylContact C-O 3.59Å; L499-S502 WeakPolarHBondContact CA-O 3.36Å; L499-S502 WeakPolarHBondContact CB-O 3.45Å; L499-S502 PolarHBondContact N-O 3.38Å; S502-G531 CarbonylContact C-O 3.59Å; S502-G531 WeakPolarHBondContact CA-O 3.36Å; S502-G531 WeakPolarHBondContact CB-O 3.25Å; S502-R532 WeakPolarHBondContact OG-CD 3.34Å
503M86.2Confident87.9Confident30 Ų3035.9 Ų35.915%0.14819%0.188CC..EExtended strand (participates in β ladder)trans-129.3126.8173.4-65.3160.270.400108L357 L362 K497 F498 Y530 G531 I534L357-M503 HydrophobicContact CD1-CB 3.92Å; L357-M503 HydrophobicContact CD1-CE 3.64Å; L357-M503 HydrophobicContact CD1-CG 3.93Å; L357-M503 HydrophobicContact CD2-CE 4.16Å; L362-M503 HydrophobicContact CD1-CE 3.6Å; L362-M503 HydrophobicContact CD2-CE 3.69Å; L362-M503 HydrophobicContact CG-CE 4.28Å; K497-M503 CarbonylContact O-C 3.56Å; K497-M503 WeakPolarHBondContact O-CA 3.37Å; F498-M503 HydrophobicContact CD2-CG 4.22Å; M503-Y530 CarbonylContact O-C 3.59Å; M503-Y530 WeakPolarHBondContact O-CA 3.46Å; M503-G531 PolarHBondContact N-O 3.23Å; M503-G531 PolarHBondContact O-N 3.21Å; M503-I534 HydrophobicContact CG-CD1 3.93Å; M503-I534 HydrophobicContact CG-CG2 4.23Å; M503-I534 HydrophobicContact SD-CD1 4.18Å; M503-I534 HydrophobicContact SD-CG2 3.95Å
504A90.2Very high88.3Confident0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-92.8144.9175.600000110.4S496 K497 L499 G529 Y530S496-A504 CarbonylContact C-O 3.55Å; S496-A504 WeakPolarHBondContact CA-O 3.44Å; K497-A504 HydrophobicContact CB-CB 4.2Å; K497-A504 PolarHBondContact N-O 3.32Å; K497-A504 PolarHBondContact O-N 3.08Å; L499-A504 HydrophobicContact CD1-CB 4.04Å; L499-A504 HydrophobicContact CG-CB 4.31Å; A504-G529 CarbonylContact C-O 3.47Å; A504-Y530 HydrophobicContact CB-CD1 3.75Å; A504-Y530 HydrophobicContact CB-CE1 3.45Å; A504-Y530 VanDerWaalsContact CB-CE1 3.45Å
505V90.9Very high88.7Confident50 Ų5030.3 Ų30.330%0.30317%0.165SC..EExtended strand (participates in β ladder)trans-133.499.6169-176.30000107.5T494 K495 N507 G529T494-V505 HydrophobicContact CG2-CG1 3.87Å; K495-V505 WeakPolarHBondContact O-CA 3.34Å; V505-N507 PolarHBondContact O-N 2.77Å; V505-G529 PolarHBondContact N-O 3.08Å; V505-G529 PolarHBondContact O-N 2.84Å
506H92.4Very high89.2Confident35 Ų3526.5 Ų26.516%0.16215%0.15CC..EExtended strand (participates in β ladder)trans-75.6119.3172.9-54.6-67000109.2D58 T494 K495 K497 V508 S528D58-H506 IonicContact OD2-CE1 3.94Å; D58-H506 PolarHBondContact OD2-CE1 2.88Å; D58-H506 IonicContact OD2-NE2 3.54Å; T494-H506 WeakPolarHBondContact CA-O 3.1Å; K495-H506 HydrophobicContact CB-CB 4.36Å; K495-H506 PolarHBondContact N-O 2.85Å; K495-H506 PolarHBondContact O-N 3.15Å; K497-H506 WeakPolarHBondContact CE-NE2 3.5Å; K497-H506 PolarHBondContact NZ-NE2 2.93Å; H506-V508 HydrophobicContact CB-CG2 4.16Å; H506-S528 PolarHBondContact ND1-OG 2.93Å
507N92.1Very high89.5Confident34 Ų3430.8 Ų30.818%0.18217%0.165CC..EExtended strand (participates in β ladder)trans-82.2119.9166.6-62.8-67.2000107.7I492 V505 F526 P527I492-N507 HydrophobicContact CG2-CB 4.07Å; V505-N507 PolarHBondContact O-N 2.77Å; N507-F526 HydrophobicContact CB-CB 3.89Å; N507-P527 PolarHBondContact ND2-O 3.34Å
508V91.3Very high90Very high65 Ų6529.8 Ų29.839%0.39416%0.162SC..EExtended strand (participates in β ladder)trans-132.3141.6179.9178.90000109W493 H506W493-V508 PolarHBondContact N-O 3.45Å; W493-V508 VanDerWaalsContact NE1-CG1 3.31Å; W493-V508 PolarHBondContact O-N 2.98Å; H506-V508 HydrophobicContact CB-CG2 4.16Å
509G89.5Confident90.7Very high32 Ų3235 Ų3533%0.3319%0.19SC..EExtended strand (participates in β ladder)trans143.5-161.6-168.700000109.6Q491Q491-G509 WeakPolarHBondContact O-CA 3.48Å
510Q88.6Confident91.6Very high90 Ų9035.5 Ų35.542%0.42119%0.192SC..EExtended strand (participates in β ladder)trans-150.5148.4-178.8-171.7171.5100.600109.8G490 Q491 I523G490-Q510 WeakPolarHBondContact CA-O 3.32Å; Q491-Q510 PolarHBondContact N-O 3.31Å; Q491-Q510 PolarHBondContact O-N 3Å; Q510-I523 HydrophobicContact CG-CG2 3.58Å
511T97.6Very high92.7Very high1 Ų140 Ų401%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-128.4135.6172.3-57.80000110.2F477 V488 N489 I523 F524 F526F477-T511 HydrophobicContact CE2-CG2 4.14Å; F477-T511 HydrophobicContact CZ-CG2 3.86Å; F477-T511 WeakPolarHBondContact CZ-OG1 3.48Å; V488-T511 HydrophobicContact CG1-CG2 3.33Å; N489-T511 WeakPolarHBondContact O-CA 3.36Å; T511-I523 WeakPolarHBondContact O-CA 3.45Å; T511-F524 HydrophobicContact CG2-CD2 4.46Å; T511-F524 HydrophobicContact CG2-CE1 3.84Å; T511-F524 HydrophobicContact CG2-CE2 3.67Å; T511-F524 HydrophobicContact CG2-CZ 3.31Å; T511-F524 PolarHBondContact N-O 3.18Å; T511-F524 PolarHBondContact O-N 3.37Å; T511-F526 WeakPolarHBondContact OG1-CE2 3.29Å
512C98.1Very high93.9Very high22 Ų2238.4 Ų38.415%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-111.9124.5172.7178.30000109.8V488 N489 I523V488-C512 CarbonylContact C-O 3.46Å; V488-C512 VanDerWaalsContact CA-O 3.29Å; V488-C512 WeakPolarHBondContact CA-O 3.46Å; N489-C512 PolarHBondContact N-O 2.87Å; N489-C512 PolarHBondContact O-N 2.88Å; C512-I523 HydrophobicContact CB-CD1 3.66Å
513L98.6Very high94.6Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-98.7113.8164.1158.460.1000108.9F386 I389 V402 W405 L486 Q487 V488 V515 E521 Y522 F524F386-L513 HydrophobicContact CE2-CD1 3.88Å; F386-L513 HydrophobicContact CZ-CD1 4.32Å; I389-L513 HydrophobicContact CD1-CD2 3.84Å; I389-L513 HydrophobicContact CG2-CD2 4.42Å; V402-L513 HydrophobicContact CG1-CD2 4.12Å; V402-L513 HydrophobicContact CG2-CD2 3.8Å; W405-L513 HydrophobicContact CE3-CD2 4.07Å; W405-L513 HydrophobicContact CH2-CD2 4.48Å; W405-L513 HydrophobicContact CZ3-CB 4.45Å; W405-L513 HydrophobicContact CZ3-CD2 3.65Å; L486-L513 HydrophobicContact CD2-CD1 4.34Å; Q487-L513 CarbonylContact O-C 3.56Å; Q487-L513 WeakPolarHBondContact O-CA 3.48Å; Q487-L513 WeakPolarHBondContact O-CD1 3.37Å; V488-L513 HydrophobicContact CG2-CB 4.27Å; V488-L513 HydrophobicContact CG2-CD1 4Å; L513-V515 HydrophobicContact CD1-CG2 4.39Å; L513-V515 HydrophobicContact CG-CG2 4.33Å; L513-E521 CarbonylContact O-C 3.51Å; L513-E521 WeakPolarHBondContact O-CA 3.48Å; L513-Y522 PolarHBondContact N-O 3.35Å; L513-Y522 PolarHBondContact O-N 3.41Å; L513-F524 HydrophobicContact CB-CE1 4.07Å
514S98.4Very high95.2Very high5 Ų538.8 Ų38.84%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-94.5121.2172.2-32.70000110.7Q487 L516 E521Q487-S514 PolarHBondContact N-O 2.87Å; Q487-S514 VanDerWaalsContact N-O 3.14Å; Q487-S514 PolarHBondContact NE2-OG 2.99Å; Q487-S514 PolarHBondContact O-N 2.86Å; S514-L516 PolarHBondContact O-N 3.2Å; S514-E521 WeakPolarHBondContact CB-OE1 3.36Å; S514-E521 PolarHBondContact OG-OE1 2.89Å
515V98.2Very high95.5Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-9683.7171.2-173.50000108I389 L486 L513 K517 H518 N519 E520 Y522I389-V515 HydrophobicContact CG2-CG2 3.82Å; L486-V515 HydrophobicContact CD2-CB 4.23Å; L486-V515 HydrophobicContact CD2-CG1 3.99Å; L486-V515 HydrophobicContact CD2-CG2 3.9Å; L513-V515 HydrophobicContact CD1-CG2 4.39Å; L513-V515 HydrophobicContact CG-CG2 4.33Å; V515-K517 VanDerWaalsContact C-N 3.35Å; V515-K517 PolarHBondContact O-N 2.88Å; V515-H518 HydrophobicContact CG1-CB 4.24Å; V515-H518 CarbonylContact O-C 3.56Å; V515-H518 PolarHBondContact O-N 2.87Å; V515-N519 PolarHBondContact O-N 3.3Å; V515-E520 PolarHBondContact N-O 2.88Å; V515-E520 PolarHBondContact O-N 3.36Å; V515-Y522 HydrophobicContact CG2-CD2 4.02Å; V515-Y522 HydrophobicContact CG2-CE2 3.84Å
516L96.6Very high95.7Very high39 Ų3940 Ų4020%0.20421%0.209CC..G310 helixtrans-62.3-39.3-163.2-55.5176.4000113Q485 Q487 S514 H518 N519 L695 L699Q485-L516 HydrophobicContact CB-CB 4.17Å; Q485-L516 WeakPolarHBondContact O-CB 3.48Å; Q485-L516 WeakPolarHBondContact O-CG 3.49Å; Q485-L516 PolarHBondContact O-N 3.15Å; Q487-L516 HydrophobicContact CG-CD1 4.26Å; Q487-L516 HydrophobicContact CG-CD2 4.17Å; Q487-L516 HydrophobicContact CG-CG 4.28Å; S514-L516 PolarHBondContact O-N 3.2Å; L516-H518 PolarHBondContact O-N 2.79Å; L516-H518 VanDerWaalsContact O-N 3.15Å; L516-N519 PolarHBondContact O-N 3.38Å; L516-L695 HydrophobicContact CD1-CB 4.26Å; L516-L695 HydrophobicContact CD1-CD2 3.91Å; L516-L695 HydrophobicContact CD1-CG 3.88Å; L516-L699 HydrophobicContact CD1-CD1 4.08Å
517K93.7Very high95.8Very high113 Ų11338.4 Ų38.449%0.49120%0.202SC..G310 helixtrans-51.7-33.3173.1172-175.1166.3-166.90113.6A390 Q485 V515A390-K517 PolarHBondContact O-NZ 2.99Å; Q485-K517 HydrophobicContact CB-CB 4.42Å; V515-K517 VanDerWaalsContact C-N 3.35Å; V515-K517 PolarHBondContact O-N 2.88Å
518H95Very high95.9Very high49 Ų4937.7 Ų37.723%0.22720%0.199CC..G310 helixtrans-102.1-5.2177.7-69.8-74.6000112.8R398 V515 L516 E520 K552R398-H518 PolarHBondContact NH1-CE1 3.48Å; V515-H518 HydrophobicContact CG1-CB 4.24Å; V515-H518 CarbonylContact O-C 3.56Å; V515-H518 PolarHBondContact O-N 2.87Å; L516-H518 PolarHBondContact O-N 2.79Å; L516-H518 VanDerWaalsContact O-N 3.15Å; H518-E520 HydrophobicContact CB-CB 4.35Å; H518-E520 HydrophobicContact CB-CG 4.07Å; H518-E520 PolarHBondContact O-N 3.16Å; H518-K552 PolarHBondContact O-NZ 3.49Å
519N96.5Very high95.9Very high119 Ų11935.1 Ų35.164%0.63619%0.186SC*.THydrogen-bonded Turntrans45.949.9-168.7-176.429.7000111.1V515 L516 K552V515-N519 PolarHBondContact O-N 3.3Å; L516-N519 PolarHBondContact O-N 3.38Å; N519-K552 WeakPolarHBondContact O-CD 3.14Å; N519-K552 WeakPolarHBondContact O-CE 3.41Å; N519-K552 PolarHBondContact O-NZ 3.13Å
520E98.2Very high95.9Very high12 Ų1233.7 Ų33.76%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-118.4142.5179.6-76.9169.3-168.500109.3R398 V515 H518 Y522 K552 T553R398-E520 IonicContact CZ-OE1 3.59Å; R398-E520 IonicContact CZ-OE2 2.71Å; R398-E520 IonicContact NE-OE1 3.78Å; R398-E520 IonicContact NE-OE2 2.83Å; R398-E520 PolarHBondContact NE-OE2 3.14Å; R398-E520 IonicContact NH2-OE1 3.5Å; R398-E520 PolarHBondContact NH2-OE1 2.75Å; R398-E520 IonicContact NH2-OE2 2.69Å; R398-E520 PolarHBondContact NH2-OE2 3.35Å; V515-E520 PolarHBondContact N-O 2.88Å; V515-E520 PolarHBondContact O-N 3.36Å; H518-E520 HydrophobicContact CB-CB 4.35Å; H518-E520 HydrophobicContact CB-CG 4.07Å; H518-E520 PolarHBondContact O-N 3.16Å; E520-Y522 HydrophobicContact CB-CE2 3.92Å; E520-Y522 PolarHBondContact OE2-OH 3.47Å; E520-Y522 VanDerWaalsContact OE2-OH 3.1Å; E520-K552 HydrophobicContact CG-CD 3.95Å; E520-T553 VanDerWaalsContact CD-CG2 3.46Å; E520-T553 HydrophobicContact CG-CG2 3.82Å; E520-T553 WeakPolarHBondContact OE1-CG2 3.26Å
521E98.4Very high95.9Very high98 Ų9830.2 Ų30.246%0.45816%0.159SC..EExtended strand (participates in β ladder)trans-125.1137.3178-60.8-157.6118.500109.9L513 S514 C550L513-E521 CarbonylContact O-C 3.51Å; L513-E521 WeakPolarHBondContact O-CA 3.48Å; S514-E521 WeakPolarHBondContact CB-OE1 3.36Å; S514-E521 PolarHBondContact OG-OE1 2.89Å; E521-C550 WeakPolarHBondContact O-CA 3Å; E521-C550 WeakPolarHBondContact O-CB 3.44Å; E521-C550 PolarHBondContact O-SG 3.03Å
522Y98.7Very high95.3Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-119.7108.5-176.4-68.4-98.9000108.5R398 M399 V402 L513 V515 E520 I548 R549 C550R398-Y522 VanDerWaalsContact CB-OH 3.29Å; R398-Y522 WeakPolarHBondContact CB-OH 3.49Å; M399-Y522 HydrophobicContact CB-CE1 4.42Å; M399-Y522 HydrophobicContact CE-CD1 3.81Å; M399-Y522 HydrophobicContact CE-CE1 3.72Å; M399-Y522 HydrophobicContact SD-CD1 3.94Å; M399-Y522 HydrophobicContact SD-CE1 3.87Å; V402-Y522 HydrophobicContact CB-CD1 4.27Å; V402-Y522 HydrophobicContact CG1-CD1 4.14Å; V402-Y522 HydrophobicContact CG1-CG 4.34Å; V402-Y522 HydrophobicContact CG2-CD1 3.85Å; V402-Y522 HydrophobicContact CG2-CD2 4.22Å; V402-Y522 HydrophobicContact CG2-CE1 3.98Å; V402-Y522 HydrophobicContact CG2-CE2 4.34Å; V402-Y522 HydrophobicContact CG2-CG 3.99Å; L513-Y522 PolarHBondContact N-O 3.35Å; L513-Y522 PolarHBondContact O-N 3.41Å; V515-Y522 HydrophobicContact CG2-CD2 4.02Å; V515-Y522 HydrophobicContact CG2-CE2 3.84Å; E520-Y522 HydrophobicContact CB-CE2 3.92Å; E520-Y522 PolarHBondContact OE2-OH 3.47Å; E520-Y522 VanDerWaalsContact OE2-OH 3.1Å; Y522-I548 HydrophobicContact CD1-CG2 4.39Å; Y522-R549 CarbonylContact C-O 3.59Å; Y522-R549 WeakPolarHBondContact CA-O 3.44Å; Y522-C550 HydrophobicContact CD1-CB 3.72Å; Y522-C550 HydrophobicContact CE1-CB 3.67Å; Y522-C550 HydrophobicContact CG-CB 4.23Å
523I98.3Very high94.3Very high47 Ų4732.8 Ų32.824%0.24117%0.173CC..EExtended strand (participates in β ladder)trans-93.4130.6-178-53.4-56.2000109.3Q510 T511 C512 I548 R549Q510-I523 HydrophobicContact CG-CG2 3.58Å; T511-I523 WeakPolarHBondContact O-CA 3.45Å; C512-I523 HydrophobicContact CB-CD1 3.66Å; I523-I548 CarbonylContact O-C 3.51Å; I523-I548 WeakPolarHBondContact O-CA 3.47Å; I523-R549 PolarHBondContact N-O 2.69Å; I523-R549 PolarHBondContact O-N 3.02Å
524F98Very high93.1Very high4 Ų433.4 Ų33.42%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-150.6165.7179.362.7-93.1000114.6W405 Y406 M409 T511 L513 F526 S547 I548W405-F524 HydrophobicContact CH2-CE1 4.29Å; W405-F524 AromaticContact CH2-CZ 3.85Å; W405-F524 HydrophobicContact CH2-CZ 3.85Å; W405-F524 AromaticContact CZ3-CE1 4Å; W405-F524 HydrophobicContact CZ3-CE1 4Å; W405-F524 AromaticContact CZ3-CZ 3.9Å; W405-F524 HydrophobicContact CZ3-CZ 3.9Å; Y406-F524 AromaticContact CD2-CD2 3.77Å; Y406-F524 HydrophobicContact CD2-CD2 3.77Å; Y406-F524 AromaticContact CD2-CE2 3.98Å; Y406-F524 HydrophobicContact CD2-CE2 3.98Å; Y406-F524 HydrophobicContact CD2-CG 4.28Å; Y406-F524 HydrophobicContact CE2-CB 4.43Å; Y406-F524 AromaticContact CE2-CD2 3.56Å; Y406-F524 HydrophobicContact CE2-CD2 3.56Å; Y406-F524 HydrophobicContact CE2-CE2 4.07Å; Y406-F524 HydrophobicContact CE2-CG 4.24Å; M409-F524 HydrophobicContact CE-CE2 4.23Å; M409-F524 HydrophobicContact CE-CZ 4.17Å; T511-F524 HydrophobicContact CG2-CD2 4.46Å; T511-F524 HydrophobicContact CG2-CE1 3.84Å; T511-F524 HydrophobicContact CG2-CE2 3.67Å; T511-F524 HydrophobicContact CG2-CZ 3.31Å; T511-F524 PolarHBondContact N-O 3.18Å; T511-F524 PolarHBondContact O-N 3.37Å; L513-F524 HydrophobicContact CB-CE1 4.07Å; F524-F526 HydrophobicContact CD2-CZ 4.36Å; F524-F526 HydrophobicContact CE2-CE1 4.14Å; F524-F526 HydrophobicContact CE2-CE2 4.4Å; F524-F526 AromaticContact CE2-CZ 3.77Å; F524-F526 HydrophobicContact CE2-CZ 3.77Å; F524-S547 VanDerWaalsContact CA-O 3.28Å; F524-S547 WeakPolarHBondContact CA-O 3.44Å; F524-S547 WeakPolarHBondContact CB-O 3.26Å; F524-I548 HydrophobicContact CB-CB 4.45Å; F524-I548 HydrophobicContact CB-CG1 3.96Å
525D95.7Very high91.6Very high52 Ų5236.5 Ų36.528%0.27819%0.192SC..  trans-124.7-176.3-178.249.133.2000110.8Y406 C546 S547Y406-D525 VanDerWaalsContact CE2-O 3.31Å; Y406-D525 WeakPolarHBondContact CE2-O 3.47Å; Y406-D525 PolarHBondContact OH-O 2.89Å; D525-C546 WeakPolarHBondContact OD1-CA 3.19Å; D525-C546 WeakPolarHBondContact OD1-CB 3.27Å; D525-S547 PolarHBondContact OD1-N 3.5Å; D525-S547 PolarHBondContact OD2-N 3.2Å; D525-S547 PolarHBondContact OD2-OG 3.07Å
526F95.3Very high89.9Confident22 Ų2239 Ų3910%0.09621%0.207CC..  trans-133.1148.8-176.1-64.4-79.4000111.8F379 Y406 M409 F410 F477 I492 N507 T511 F524 C546F379-F526 HydrophobicContact CD2-CZ 4.34Å; F379-F526 HydrophobicContact CE1-CE1 4.09Å; F379-F526 AromaticContact CE2-CE1 3.88Å; F379-F526 HydrophobicContact CE2-CE1 3.88Å; F379-F526 HydrophobicContact CE2-CE2 4.39Å; F379-F526 AromaticContact CE2-CZ 3.53Å; F379-F526 HydrophobicContact CE2-CZ 3.53Å; F379-F526 HydrophobicContact CZ-CD1 4.32Å; F379-F526 AromaticContact CZ-CE1 3.56Å; F379-F526 HydrophobicContact CZ-CE1 3.56Å; F379-F526 HydrophobicContact CZ-CE2 4.46Å; F379-F526 AromaticContact CZ-CZ 3.64Å; F379-F526 HydrophobicContact CZ-CZ 3.64Å; Y406-F526 HydrophobicContact CE2-CD1 4.42Å; Y406-F526 HydrophobicContact CE2-CE1 4.48Å; M409-F526 HydrophobicContact SD-CE1 3.96Å; F410-F526 HydrophobicContact CE1-CD1 4.43Å; F410-F526 HydrophobicContact CZ-CD1 4.42Å; F477-F526 HydrophobicContact CZ-CE2 4.41Å; F477-F526 HydrophobicContact CZ-CZ 4.3Å; I492-F526 HydrophobicContact CD1-CD2 3.78Å; I492-F526 HydrophobicContact CD1-CE2 3.58Å; I492-F526 HydrophobicContact CD1-CZ 4.27Å; I492-F526 HydrophobicContact CG1-CD2 3.98Å; I492-F526 HydrophobicContact CG1-CE2 3.93Å; N507-F526 HydrophobicContact CB-CB 3.89Å; T511-F526 WeakPolarHBondContact OG1-CE2 3.29Å; F524-F526 HydrophobicContact CD2-CZ 4.36Å; F524-F526 HydrophobicContact CE2-CE1 4.14Å; F524-F526 HydrophobicContact CE2-CE2 4.4Å; F524-F526 AromaticContact CE2-CZ 3.77Å; F524-F526 HydrophobicContact CE2-CZ 3.77Å; F526-C546 VanDerWaalsContact C-SG 3.55Å
527P95.1Very high88.8Confident2 Ų239.9 Ų39.91%0.01321%0.214CC..PPolyproline II helixtrans-69.5161.4-179.527.5-35.3000113.2F410 N507 F542 G543 C546 F561F410-P527 HydrophobicContact CD1-CG 4.28Å; F410-P527 HydrophobicContact CE1-CG 3.62Å; F410-P527 HydrophobicContact CZ-CG 4.15Å; N507-P527 PolarHBondContact ND2-O 3.34Å; P527-F542 HydrophobicContact CB-CB 4.23Å; P527-F542 HydrophobicContact CB-CD1 4.46Å; P527-F542 HydrophobicContact CG-CB 4.11Å; P527-F542 HydrophobicContact CG-CD1 3.9Å; P527-F542 HydrophobicContact CG-CG 4.11Å; P527-G543 VanDerWaalsContact CB-O 3.25Å; P527-G543 WeakPolarHBondContact CB-O 3.28Å; P527-C546 VanDerWaalsContact CA-SG 3.54Å; P527-F561 HydrophobicContact CB-CB 4.28Å; P527-F561 HydrophobicContact CB-CD2 3.66Å; P527-F561 HydrophobicContact CB-CE2 4.12Å; P527-F561 HydrophobicContact CB-CG 3.95Å; P527-F561 HydrophobicContact CG-CD1 4.46Å; P527-F561 HydrophobicContact CG-CD2 3.87Å; P527-F561 HydrophobicContact CG-CE1 4.43Å; P527-F561 HydrophobicContact CG-CE2 3.83Å; P527-F561 HydrophobicContact CG-CG 4.19Å; P527-F561 HydrophobicContact CG-CZ 4.13Å
528S94Very high88.1Confident19 Ų1935.3 Ų35.313%0.13320%0.196CC..EExtended strand (participates in β ladder)trans-65.6136.7165-64.30000109.8H506 Y530 F542 G543H506-S528 PolarHBondContact ND1-OG 2.93Å; S528-Y530 WeakPolarHBondContact CB-OH 3.48Å; S528-F542 WeakPolarHBondContact O-CA 3.31Å; S528-G543 PolarHBondContact N-O 2.83Å; S528-G543 PolarHBondContact O-N 3.25Å
529G92.1Very high87.5Confident11 Ų1135.9 Ų35.911%0.11320%0.197CC..EExtended strand (participates in β ladder)trans-100.5127.217100000111.1A504 V505A504-G529 CarbonylContact C-O 3.47Å; V505-G529 PolarHBondContact N-O 3.08Å; V505-G529 PolarHBondContact O-N 2.84Å
530Y89.7Confident87.1Confident2 Ų230.8 Ų30.81%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-112.5114.3179.2-64.1-77.7000110.3D58 E59 L499 M503 A504 S528 R532 E541 T563D58-Y530 HydrophobicContact CB-CE1 3.84Å; D58-Y530 WeakPolarHBondContact OD2-CE1 3.18Å; D58-Y530 PolarHBondContact OD2-OH 3.32Å; E59-Y530 PolarHBondContact OE1-OH 2.83Å; L499-Y530 HydrophobicContact CD1-CD1 4.05Å; L499-Y530 HydrophobicContact CD1-CE1 4.05Å; M503-Y530 CarbonylContact O-C 3.59Å; M503-Y530 WeakPolarHBondContact O-CA 3.46Å; A504-Y530 HydrophobicContact CB-CD1 3.75Å; A504-Y530 HydrophobicContact CB-CE1 3.45Å; A504-Y530 VanDerWaalsContact CB-CE1 3.45Å; S528-Y530 WeakPolarHBondContact CB-OH 3.48Å; Y530-R532 PolarHBondContact O-N 3.33Å; Y530-E541 PolarHBondContact N-O 2.64Å; Y530-E541 PolarHBondContact O-N 2.7Å; Y530-T563 HydrophobicContact CD2-CG2 4.07Å; Y530-T563 HydrophobicContact CE2-CG2 4.11Å
531G88.4Confident86.8Confident17 Ų1730.3 Ų30.318%0.17517%0.167CC..EExtended strand (participates in β ladder)trans-75.9102.5164.200000108.9S502 M503 I534S502-G531 CarbonylContact C-O 3.59Å; S502-G531 WeakPolarHBondContact CA-O 3.36Å; S502-G531 WeakPolarHBondContact CB-O 3.25Å; M503-G531 PolarHBondContact N-O 3.23Å; M503-G531 PolarHBondContact O-N 3.21Å; G531-I534 WeakPolarHBondContact O-CG2 3.18Å
532R84.5Confident86.5Confident27 Ų2726.7 Ų26.710%0.10215%0.15CC..EExtended strand (participates in β ladder)trans-91.7161.2180-60.4-61.2-161.7-176.21.5110.8S502 Y530 I534 P538 W539 E541S502-R532 WeakPolarHBondContact OG-CD 3.34Å; Y530-R532 PolarHBondContact O-N 3.33Å; R532-I534 VanDerWaalsContact C-N 3.3Å; R532-I534 PolarHBondContact O-N 3.12Å; R532-P538 VanDerWaalsContact O-CA 3.24Å; R532-P538 WeakPolarHBondContact O-CA 3.33Å; R532-W539 HydrophobicContact CB-CD2 3.86Å; R532-W539 HydrophobicContact CB-CG 4.21Å; R532-W539 HydrophobicContact CB-CH2 4.28Å; R532-W539 HydrophobicContact CB-CZ2 3.6Å; R532-W539 HydrophobicContact CG-CD2 4.35Å; R532-W539 HydrophobicContact CG-CH2 3.93Å; R532-W539 HydrophobicContact CG-CZ2 3.71Å; R532-W539 HydrophobicContact CG-CZ3 4.35Å; R532-W539 PolarHBondContact N-O 3.49Å; R532-W539 PolarHBondContact O-N 3.4Å; R532-E541 HydrophobicContact CG-CB 3.98Å; R532-E541 IonicContact CZ-OE2 3.37Å; R532-E541 VanDerWaalsContact CZ-OE2 3.23Å; R532-E541 IonicContact NE-OE2 2.65Å; R532-E541 PolarHBondContact NE-OE2 3.31Å; R532-E541 IonicContact NH2-OE2 2.63Å; R532-E541 PolarHBondContact NH2-OE2 3.26Å
533S77.2Confident86.2Confident51 Ų5126.7 Ų26.736%0.35715%0.15SC..  trans58.630.4172.5-60.40000116.2L501 L535 T536 T537 W539L501-S533 PolarHBondContact O-N 3.25Å; S533-L535 PolarHBondContact O-N 3.46Å; S533-T536 PolarHBondContact O-N 2.95Å; S533-T536 PolarHBondContact O-OG1 3.33Å; S533-T537 WeakPolarHBondContact CB-O 3.46Å; S533-W539 PolarHBondContact OG-NE1 2.84Å
534I73.9Confident86Confident13 Ų1324.9 Ų24.97%0.06714%0.143CC..THydrogen-bonded Turntrans-57.6-17.9-170.863.7-175.9000116.8L348 F498 M503 G531 R532 T536L348-I534 HydrophobicContact CD1-CB 4.4Å; L348-I534 HydrophobicContact CD1-CD1 3.62Å; L348-I534 HydrophobicContact CD1-CG1 3.76Å; F498-I534 HydrophobicContact CD2-CD1 4.37Å; F498-I534 HydrophobicContact CE2-CD1 3.71Å; M503-I534 HydrophobicContact CG-CD1 3.93Å; M503-I534 HydrophobicContact CG-CG2 4.23Å; M503-I534 HydrophobicContact SD-CD1 4.18Å; M503-I534 HydrophobicContact SD-CG2 3.95Å; G531-I534 WeakPolarHBondContact O-CG2 3.18Å; R532-I534 VanDerWaalsContact C-N 3.3Å; R532-I534 PolarHBondContact O-N 3.12Å; I534-T536 VanDerWaalsContact C-N 3.3Å
535L65.7Low85.9Confident70 Ų7032.2 Ų32.237%0.36618%0.175SC..THydrogen-bonded Turntrans-874.4174.1-66.4175000113.6I344 V345 L348 L501 S533I344-L535 HydrophobicContact CG2-CD2 4.34Å; V345-L535 HydrophobicContact CG2-CD2 4.06Å; L348-L535 HydrophobicContact CD1-CD2 3.81Å; L348-L535 HydrophobicContact CD1-CG 4.48Å; L501-L535 HydrophobicContact CD2-CD1 3.56Å; L501-L535 HydrophobicContact CD2-CG 4.47Å; S533-L535 PolarHBondContact O-N 3.46Å
536T63.7Low85.9Confident51 Ų5130 Ų3031%0.31316%0.164SC..SBendtrans-142.8-130.9-17460.70000109.6T337 S533 I534 P538T337-T536 PolarHBondContact OG1-O 2.85Å; S533-T536 PolarHBondContact O-N 2.95Å; S533-T536 PolarHBondContact O-OG1 3.33Å; I534-T536 VanDerWaalsContact C-N 3.3Å; T536-P538 WeakPolarHBondContact O-CD 3.47Å
537T73.1Confident86Confident58 Ų5829.6 Ų29.636%0.35616%0.164SC..SBendtrans-85111.1168.5-52.30000108.1L418 S533L418-T537 HydrophobicContact CD1-CG2 3.81Å; S533-T537 WeakPolarHBondContact CB-O 3.46Å
538P77.8Confident86.2Confident17 Ų1729.5 Ų29.511%0.1116%0.163CC..  trans-80.2141.4-173.635.8-37.5000110.4L418 A419 R532 T536L418-P538 WeakPolarHBondContact CA-O 3.37Å; L418-P538 HydrophobicContact CD1-CG 4.45Å; A419-P538 HydrophobicContact CB-CB 4.05Å; A419-P538 HydrophobicContact CB-CG 4.5Å; A419-P538 PolarHBondContact N-O 2.97Å; R532-P538 VanDerWaalsContact O-CA 3.24Å; R532-P538 WeakPolarHBondContact O-CA 3.33Å; T536-P538 WeakPolarHBondContact O-CD 3.47Å
539W83.6Confident86.4Confident62 Ų6234.9 Ų34.924%0.23518%0.18CC..EExtended strand (participates in β ladder)trans-136151.7-178.162.7-80.9000112.6G417 R532 S533 E541 V571 H572G417-W539 VanDerWaalsContact O-CA 3.3Å; G417-W539 WeakPolarHBondContact O-CA 3.42Å; R532-W539 HydrophobicContact CB-CD2 3.86Å; R532-W539 HydrophobicContact CB-CG 4.21Å; R532-W539 HydrophobicContact CB-CH2 4.28Å; R532-W539 HydrophobicContact CB-CZ2 3.6Å; R532-W539 HydrophobicContact CG-CD2 4.35Å; R532-W539 HydrophobicContact CG-CH2 3.93Å; R532-W539 HydrophobicContact CG-CZ2 3.71Å; R532-W539 HydrophobicContact CG-CZ3 4.35Å; R532-W539 PolarHBondContact N-O 3.49Å; R532-W539 PolarHBondContact O-N 3.4Å; S533-W539 PolarHBondContact OG-NE1 2.84Å; W539-E541 HydrophobicContact CE3-CB 4.34Å; W539-E541 HydrophobicContact CH2-CB 4.18Å; W539-E541 HydrophobicContact CH2-CG 4.47Å; W539-E541 WeakPolarHBondContact CH2-OE1 3.3Å; W539-E541 HydrophobicContact CZ3-CB 3.7Å; W539-E541 HydrophobicContact CZ3-CG 4.18Å; W539-V571 HydrophobicContact CH2-CG1 3.61Å; W539-V571 HydrophobicContact CZ2-CG1 4.48Å; W539-V571 HydrophobicContact CZ3-CB 4.3Å; W539-V571 HydrophobicContact CZ3-CG1 3.81Å; W539-H572 AromaticContact CE3-CE1 3.97Å; W539-H572 AromaticContact CZ3-CE1 3.98Å
540V88.2Confident86.7Confident12 Ų1234.4 Ų34.47%0.07318%0.175CC..EExtended strand (participates in β ladder)trans-91.1125.6-175-174.50000111.4R414 G417 A419 F542 H572R414-V540 HydrophobicContact CG-CG1 4.49Å; G417-V540 PolarHBondContact O-N 3.4Å; A419-V540 HydrophobicContact CB-CG2 3.58Å; V540-F542 HydrophobicContact CG1-CZ 4.36Å; V540-H572 PolarHBondContact O-CE1 2.74Å; V540-H572 VanDerWaalsContact O-CE1 3.28Å
541E90.9Very high87Confident1 Ų141.1 Ų41.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-114.9140.6165.7-171.7166.7-113.400109.8Y530 R532 W539 T563 K564Y530-E541 PolarHBondContact N-O 2.64Å; Y530-E541 PolarHBondContact O-N 2.7Å; R532-E541 HydrophobicContact CG-CB 3.98Å; R532-E541 IonicContact CZ-OE2 3.37Å; R532-E541 VanDerWaalsContact CZ-OE2 3.23Å; R532-E541 IonicContact NE-OE2 2.65Å; R532-E541 PolarHBondContact NE-OE2 3.31Å; R532-E541 IonicContact NH2-OE2 2.63Å; R532-E541 PolarHBondContact NH2-OE2 3.26Å; W539-E541 HydrophobicContact CE3-CB 4.34Å; W539-E541 HydrophobicContact CH2-CB 4.18Å; W539-E541 HydrophobicContact CH2-CG 4.47Å; W539-E541 WeakPolarHBondContact CH2-OE1 3.3Å; W539-E541 HydrophobicContact CZ3-CB 3.7Å; W539-E541 HydrophobicContact CZ3-CG 4.18Å; E541-T563 HydrophobicContact CG-CG2 4.38Å; E541-K564 VanDerWaalsContact OE1-CB 3.25Å; E541-K564 WeakPolarHBondContact OE1-CB 3.48Å; E541-K564 PolarHBondContact OE1-N 3.05Å
542F93.3Very high87.5Confident22 Ų2246.2 Ų46.210%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-100.4141167.1-70.5-61.2000109F410 R414 P527 S528 V540 F561 W594F410-F542 HydrophobicContact CB-CD2 4.23Å; F410-F542 HydrophobicContact CB-CE2 3.85Å; F410-F542 HydrophobicContact CD1-CD2 4.06Å; F410-F542 HydrophobicContact CD1-CE1 4.47Å; F410-F542 AromaticContact CD1-CE2 3.8Å; F410-F542 HydrophobicContact CD1-CE2 3.8Å; F410-F542 HydrophobicContact CD1-CZ 4.02Å; F410-F542 HydrophobicContact CG-CD2 4.44Å; F410-F542 HydrophobicContact CG-CE2 4.26Å; R414-F542 HydrophobicContact CG-CE2 4.49Å; R414-F542 HydrophobicContact CG-CZ 4.21Å; P527-F542 HydrophobicContact CB-CB 4.23Å; P527-F542 HydrophobicContact CB-CD1 4.46Å; P527-F542 HydrophobicContact CG-CB 4.11Å; P527-F542 HydrophobicContact CG-CD1 3.9Å; P527-F542 HydrophobicContact CG-CG 4.11Å; S528-F542 WeakPolarHBondContact O-CA 3.31Å; V540-F542 HydrophobicContact CG1-CZ 4.36Å; F542-F561 HydrophobicContact CB-CB 4.24Å; F542-F561 HydrophobicContact CB-CD1 3.72Å; F542-F561 HydrophobicContact CB-CE1 4.39Å; F542-F561 HydrophobicContact CB-CG 4.15Å; F542-W594 HydrophobicContact CD2-CD2 4.05Å; F542-W594 AromaticContact CD2-CE2 3.53Å; F542-W594 HydrophobicContact CD2-CE3 4.4Å; F542-W594 AromaticContact CD2-CH2 3.92Å; F542-W594 HydrophobicContact CD2-CH2 3.92Å; F542-W594 AromaticContact CD2-CZ2 3.48Å; F542-W594 HydrophobicContact CD2-CZ2 3.48Å; F542-W594 VanDerWaalsContact CD2-CZ2 3.48Å; F542-W594 HydrophobicContact CD2-CZ3 4.34Å; F542-W594 AromaticContact CD2-NE1 3.87Å; F542-W594 HydrophobicContact CE2-CE3 4.43Å; F542-W594 AromaticContact CE2-CH2 3.77Å; F542-W594 HydrophobicContact CE2-CH2 3.77Å; F542-W594 AromaticContact CE2-CZ2 3.83Å; F542-W594 HydrophobicContact CE2-CZ2 3.83Å; F542-W594 HydrophobicContact CE2-CZ3 4.07Å
543G92.3Very high88.1Confident0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-143.2169.7-178.700000113P527 S528 F561P527-G543 VanDerWaalsContact CB-O 3.25Å; P527-G543 WeakPolarHBondContact CB-O 3.28Å; S528-G543 PolarHBondContact N-O 2.83Å; S528-G543 PolarHBondContact O-N 3.25Å; G543-F561 WeakPolarHBondContact CA-O 3.22Å
544G92.8Very high89.1Confident9 Ų945.1 Ų45.19%0.09323%0.229CC..EExtended strand (participates in β ladder)trans89-175.6176.800000113.8E59 F561E59-G544 VanDerWaalsContact OE1-CA 3.27Å; E59-G544 WeakPolarHBondContact OE1-CA 3.32Å; E59-G544 PolarHBondContact OE1-N 3.18Å; E59-G544 WeakPolarHBondContact OE2-CA 3.39Å; G544-F561 PolarHBondContact N-O 3.31Å; G544-F561 PolarHBondContact O-N 3.12Å
545K95.6Very high90.2Very high159 Ų15946.1 Ų46.169%0.69123%0.232SC*.EExtended strand (participates in β ladder)trans-107.9142.7-175.5-70.1167-176.3162.70111L559 E560K545-L559 VanDerWaalsContact CA-O 3.29Å; K545-L559 WeakPolarHBondContact CA-O 3.27Å; K545-E560 WeakPolarHBondContact CE-OE1 3.4Å; K545-E560 HydrophobicContact CG-CB 4.36Å; K545-E560 HydrophobicContact CG-CG 4.17Å; K545-E560 IonicContact NZ-OE1 2.76Å
546C97.2Very high91.8Very high6 Ų644.2 Ų44.24%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-133.2162.8179.8-55.20000109.3D525 F526 P527 L559D525-C546 WeakPolarHBondContact OD1-CA 3.19Å; D525-C546 WeakPolarHBondContact OD1-CB 3.27Å; F526-C546 VanDerWaalsContact C-SG 3.55Å; P527-C546 VanDerWaalsContact CA-SG 3.54Å; C546-L559 HydrophobicContact CB-CB 4.09Å; C546-L559 PolarHBondContact N-O 2.93Å; C546-L559 PolarHBondContact O-N 3.18Å
547S97.4Very high93.5Very high13 Ų1341.8 Ų41.89%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-143.5152.1173.465.20000113.3F524 D525 R549 V557F524-S547 VanDerWaalsContact CA-O 3.28Å; F524-S547 WeakPolarHBondContact CA-O 3.44Å; F524-S547 WeakPolarHBondContact CB-O 3.26Å; D525-S547 PolarHBondContact OD1-N 3.5Å; D525-S547 PolarHBondContact OD2-N 3.2Å; D525-S547 PolarHBondContact OD2-OG 3.07Å; S547-R549 PolarHBondContact OG-NE 3.33Å; S547-R549 PolarHBondContact OG-NH2 3.28Å; S547-R549 VanDerWaalsContact OG-NH2 3.14Å; S547-V557 VanDerWaalsContact CA-O 3.27Å; S547-V557 WeakPolarHBondContact CA-O 3.4Å; S547-V557 WeakPolarHBondContact CB-O 3.32Å
548I98.4Very high94.7Very high0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-122.9127.9171.4-54.6169.6000107.1M399 V402 L403 Y406 Y522 I523 F524 S556 V557 L559M399-I548 HydrophobicContact CE-CG2 4.28Å; M399-I548 HydrophobicContact SD-CB 4.42Å; M399-I548 HydrophobicContact SD-CG2 3.77Å; V402-I548 HydrophobicContact CG1-CG2 3.96Å; L403-I548 HydrophobicContact CB-CD1 4.39Å; L403-I548 HydrophobicContact CD1-CD1 3.9Å; Y406-I548 HydrophobicContact CD1-CD1 4.18Å; Y406-I548 HydrophobicContact CD2-CD1 4.41Å; Y406-I548 HydrophobicContact CG-CD1 3.99Å; Y522-I548 HydrophobicContact CD1-CG2 4.39Å; I523-I548 CarbonylContact O-C 3.51Å; I523-I548 WeakPolarHBondContact O-CA 3.47Å; F524-I548 HydrophobicContact CB-CB 4.45Å; F524-I548 HydrophobicContact CB-CG1 3.96Å; I548-S556 CarbonylContact O-C 3.57Å; I548-S556 VanDerWaalsContact O-CA 3.24Å; I548-S556 WeakPolarHBondContact O-CA 3.46Å; I548-V557 HydrophobicContact CB-CB 4.2Å; I548-V557 HydrophobicContact CB-CG2 4.3Å; I548-V557 PolarHBondContact N-O 2.9Å; I548-V557 PolarHBondContact O-N 2.91Å; I548-L559 HydrophobicContact CD1-CD1 4.22Å; I548-L559 HydrophobicContact CG1-CD1 3.97Å
549R98.3Very high95.6Very high132 Ų13242 Ų4250%0.49821%0.208SC..EExtended strand (participates in β ladder)trans-136.1142.3-175.4-57.6-178.2-168.1164.18.9111.5Y522 I523 S547Y522-R549 CarbonylContact C-O 3.59Å; Y522-R549 WeakPolarHBondContact CA-O 3.44Å; I523-R549 PolarHBondContact N-O 2.69Å; I523-R549 PolarHBondContact O-N 3.02Å; S547-R549 PolarHBondContact OG-NE 3.33Å; S547-R549 PolarHBondContact OG-NH2 3.28Å; S547-R549 VanDerWaalsContact OG-NH2 3.14Å
550C98.4Very high96.2Very high1 Ų142 Ų421%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-133.587.6175.7-178.30000110.6M399 E521 Y522 K552 T553 G554 Y555M399-C550 HydrophobicContact CE-CB 3.97Å; E521-C550 WeakPolarHBondContact O-CA 3Å; E521-C550 WeakPolarHBondContact O-CB 3.44Å; E521-C550 PolarHBondContact O-SG 3.03Å; Y522-C550 HydrophobicContact CD1-CB 3.72Å; Y522-C550 HydrophobicContact CE1-CB 3.67Å; Y522-C550 HydrophobicContact CG-CB 4.23Å; C550-K552 VanDerWaalsContact C-N 3.25Å; C550-K552 PolarHBondContact O-N 3.32Å; C550-K552 VanDerWaalsContact O-N 3.12Å; C550-T553 WeakPolarHBondContact CB-OG1 3.45Å; C550-T553 PolarHBondContact O-N 3.49Å; C550-T553 PolarHBondContact O-OG1 3.46Å; C550-T553 VanDerWaalsContact O-OG1 3.1Å; C550-T553 PolarHBondContact SG-OG1 3.47Å; C550-G554 PolarHBondContact O-N 3.33Å; C550-Y555 PolarHBondContact N-O 2.89Å
551D97.3Very high96.6Very high142 Ų14241.5 Ų41.576%0.75921%0.208SC*.THydrogen-bonded Turntrans-52.2-39.7-170.6-65.2-1.1000113.7T553 G554D551-T553 VanDerWaalsContact C-N 3.33Å; D551-T553 PolarHBondContact O-N 3.4Å; D551-G554 PolarHBondContact O-N 2.74Å
552K97.4Very high96.6Very high124 Ų12445 Ų4554%0.53922%0.224SC..THydrogen-bonded Turntrans-61.7-38.7177.6177.9-179.8176-173.40113.2H518 N519 E520 C550H518-K552 PolarHBondContact O-NZ 3.49Å; N519-K552 WeakPolarHBondContact O-CD 3.14Å; N519-K552 WeakPolarHBondContact O-CE 3.41Å; N519-K552 PolarHBondContact O-NZ 3.13Å; E520-K552 HydrophobicContact CG-CD 3.95Å; C550-K552 VanDerWaalsContact C-N 3.25Å; C550-K552 PolarHBondContact O-N 3.32Å; C550-K552 VanDerWaalsContact O-N 3.12Å
553T97.6Very high96.4Very high24 Ų2445.1 Ų45.115%0.14723%0.227CC..THydrogen-bonded Turntrans-91.8-21.6-178.4670000112P395 E520 C550 D551 Y555 P581P395-T553 HydrophobicContact CB-CG2 3.9Å; P395-T553 HydrophobicContact CG-CG2 4.32Å; E520-T553 VanDerWaalsContact CD-CG2 3.46Å; E520-T553 HydrophobicContact CG-CG2 3.82Å; E520-T553 WeakPolarHBondContact OE1-CG2 3.26Å; C550-T553 WeakPolarHBondContact CB-OG1 3.45Å; C550-T553 PolarHBondContact O-N 3.49Å; C550-T553 PolarHBondContact O-OG1 3.46Å; C550-T553 VanDerWaalsContact O-OG1 3.1Å; C550-T553 PolarHBondContact SG-OG1 3.47Å; D551-T553 VanDerWaalsContact C-N 3.33Å; D551-T553 PolarHBondContact O-N 3.4Å; T553-Y555 WeakPolarHBondContact O-CD2 3.43Å; T553-Y555 PolarHBondContact O-N 2.91Å; T553-Y555 PolarHBondContact OG1-N 3.24Å; T553-P581 WeakPolarHBondContact O-CG 3.38Å
554G97.9Very high95.8Very high31 Ų3150.2 Ų50.232%0.3225%0.249SC..THydrogen-bonded Turntrans74.84.3-174.600000114.7C550 D551 P581C550-G554 PolarHBondContact O-N 3.33Å; D551-G554 PolarHBondContact O-N 2.74Å; G554-P581 WeakPolarHBondContact O-CA 3.47Å
555Y98.4Very high94.9Very high34 Ų3452.9 Ų52.913%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-79.5145176.2-76.5-105.9000110.7P395 E396 M399 C550 T553 Y579 R580 P581 F587P395-Y555 HydrophobicContact CB-CD2 4.09Å; P395-Y555 HydrophobicContact CB-CE2 3.85Å; E396-Y555 HydrophobicContact CB-CE1 3.75Å; E396-Y555 HydrophobicContact CG-CE1 3.96Å; M399-Y555 VanDerWaalsContact CE-O 3.24Å; M399-Y555 WeakPolarHBondContact CE-O 3.27Å; C550-Y555 PolarHBondContact N-O 2.89Å; T553-Y555 WeakPolarHBondContact O-CD2 3.43Å; T553-Y555 PolarHBondContact O-N 2.91Å; T553-Y555 PolarHBondContact OG1-N 3.24Å; Y555-Y579 WeakPolarHBondContact CD1-O 3.34Å; Y555-R580 HydrophobicContact CE1-CB 4.42Å; Y555-R580 HydrophobicContact CE1-CG 3.87Å; Y555-P581 HydrophobicContact CD2-CG 4.05Å; Y555-P581 HydrophobicContact CE2-CG 4.02Å; Y555-F587 HydrophobicContact CD1-CE1 4.07Å; Y555-F587 HydrophobicContact CD1-CZ 4.47Å; Y555-F587 HydrophobicContact CE1-CE1 4.1Å; Y555-F587 HydrophobicContact CE1-CZ 4.38Å
556S98.4Very high93.5Very high31 Ų3149.4 Ų49.422%0.21725%0.249CC..EExtended strand (participates in β ladder)trans-140163.1172.764.10000112.3I548 Y579I548-S556 CarbonylContact O-C 3.57Å; I548-S556 VanDerWaalsContact O-CA 3.24Å; I548-S556 WeakPolarHBondContact O-CA 3.46Å; S556-Y579 PolarHBondContact N-O 3.22Å; S556-Y579 PolarHBondContact O-N 3.04Å
557V98.6Very high91.9Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-131.9130168.2-168.40000108.2M399 L403 S547 I548 L559 A576 D577 L578M399-V557 HydrophobicContact CG-CG2 3.78Å; M399-V557 HydrophobicContact SD-CG2 3.72Å; L403-V557 HydrophobicContact CD1-CG1 4.2Å; L403-V557 HydrophobicContact CD2-CG1 4.13Å; S547-V557 VanDerWaalsContact CA-O 3.27Å; S547-V557 WeakPolarHBondContact CA-O 3.4Å; S547-V557 WeakPolarHBondContact CB-O 3.32Å; I548-V557 HydrophobicContact CB-CB 4.2Å; I548-V557 HydrophobicContact CB-CG2 4.3Å; I548-V557 PolarHBondContact N-O 2.9Å; I548-V557 PolarHBondContact O-N 2.91Å; V557-L559 HydrophobicContact CB-CD1 3.95Å; V557-L559 HydrophobicContact CG1-CD1 3.7Å; V557-L559 HydrophobicContact CG1-CG 3.96Å; V557-A576 HydrophobicContact CG1-CB 3.83Å; V557-D577 VanDerWaalsContact CA-O 3.32Å; V557-D577 WeakPolarHBondContact CA-O 3.45Å; V557-D577 WeakPolarHBondContact CG1-O 3.24Å; V557-L578 HydrophobicContact CG1-CG 4.14Å; V557-L578 HydrophobicContact CG2-CB 4.5Å; V557-L578 HydrophobicContact CG2-CD2 4.36Å; V557-L578 HydrophobicContact CG2-CG 3.95Å
558D98.3Very high89.9Confident74 Ų7462.5 Ų62.540%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-100.6127.6166.3-63.6-30.5000108.6A576 D577 Y579D558-A576 CarbonylContact O-C 3.56Å; D558-A576 VanDerWaalsContact O-CA 3.32Å; D558-A576 WeakPolarHBondContact O-CA 3.45Å; D558-D577 PolarHBondContact N-O 3.3Å; D558-D577 PolarHBondContact O-N 2.94Å; D558-Y579 HydrophobicContact CB-CE2 4.08Å; D558-Y579 VanDerWaalsContact OD2-CE2 3.23Å; D558-Y579 WeakPolarHBondContact OD2-CE2 3.41Å
559L97.5Very high88.3Confident6 Ų663.5 Ų63.53%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-119.9148.6-176.8-57.889.2000111L403 Y406 M407 K545 C546 I548 V557 K575 A576L403-L559 HydrophobicContact CD1-CD2 3.67Å; L403-L559 HydrophobicContact CD1-CG 4.42Å; Y406-L559 HydrophobicContact CD1-CD2 3.97Å; Y406-L559 HydrophobicContact CE1-CD2 3.66Å; M407-L559 HydrophobicContact SD-CD2 3.93Å; K545-L559 VanDerWaalsContact CA-O 3.29Å; K545-L559 WeakPolarHBondContact CA-O 3.27Å; C546-L559 HydrophobicContact CB-CB 4.09Å; C546-L559 PolarHBondContact N-O 2.93Å; C546-L559 PolarHBondContact O-N 3.18Å; I548-L559 HydrophobicContact CD1-CD1 4.22Å; I548-L559 HydrophobicContact CG1-CD1 3.97Å; V557-L559 HydrophobicContact CB-CD1 3.95Å; V557-L559 HydrophobicContact CG1-CD1 3.7Å; V557-L559 HydrophobicContact CG1-CG 3.96Å; L559-K575 CarbonylContact C-O 3.48Å; L559-K575 WeakPolarHBondContact CA-O 3.49Å; L559-A576 HydrophobicContact CB-CB 4.43Å; L559-A576 HydrophobicContact CD2-CB 4.08Å; L559-A576 HydrophobicContact CG-CB 3.77Å
560E97Very high87.4Confident60 Ų6064.1 Ų64.128%0.2833%0.326SS..EExtended strand (participates in β ladder)trans-139.3114.8175.7-172.3177.7-104.100109K545 Q562 V574 K575K545-E560 WeakPolarHBondContact CE-OE1 3.4Å; K545-E560 HydrophobicContact CG-CB 4.36Å; K545-E560 HydrophobicContact CG-CG 4.17Å; K545-E560 IonicContact NZ-OE1 2.76Å; E560-Q562 HydrophobicContact CG-CG 4.02Å; E560-Q562 PolarHBondContact OE2-NE2 3.1Å; E560-V574 WeakPolarHBondContact O-CA 2.97Å; E560-K575 PolarHBondContact N-O 3.45Å; E560-K575 PolarHBondContact O-N 3.17Å
561F95.7Very high86.8Confident3 Ų366.3 Ų66.31%0.01334%0.339CS..EExtended strand (participates in β ladder)trans-85.7120.7167.6-73.4-96.6000107.6Y406 M407 F410 P527 F542 G543 G544 V574 W594Y406-F561 HydrophobicContact CE1-CE2 4.39Å; Y406-F561 HydrophobicContact CE1-CZ 4.47Å; M407-F561 HydrophobicContact CE-CE1 4.04Å; M407-F561 HydrophobicContact CE-CZ 3.89Å; M407-F561 HydrophobicContact SD-CZ 4.14Å; F410-F561 HydrophobicContact CD2-CE1 4.16Å; F410-F561 AromaticContact CD2-CZ 3.86Å; F410-F561 HydrophobicContact CD2-CZ 3.86Å; F410-F561 HydrophobicContact CE1-CZ 4.29Å; F410-F561 HydrophobicContact CE2-CE1 4.32Å; F410-F561 HydrophobicContact CE2-CE2 4.45Å; F410-F561 AromaticContact CE2-CZ 3.58Å; F410-F561 HydrophobicContact CE2-CZ 3.58Å; F410-F561 HydrophobicContact CG-CE1 4.31Å; F410-F561 HydrophobicContact CG-CZ 4.33Å; F410-F561 HydrophobicContact CZ-CE2 4.37Å; F410-F561 AromaticContact CZ-CZ 3.81Å; F410-F561 HydrophobicContact CZ-CZ 3.81Å; P527-F561 HydrophobicContact CB-CB 4.28Å; P527-F561 HydrophobicContact CB-CD2 3.66Å; P527-F561 HydrophobicContact CB-CE2 4.12Å; P527-F561 HydrophobicContact CB-CG 3.95Å; P527-F561 HydrophobicContact CG-CD1 4.46Å; P527-F561 HydrophobicContact CG-CD2 3.87Å; P527-F561 HydrophobicContact CG-CE1 4.43Å; P527-F561 HydrophobicContact CG-CE2 3.83Å; P527-F561 HydrophobicContact CG-CG 4.19Å; P527-F561 HydrophobicContact CG-CZ 4.13Å; F542-F561 HydrophobicContact CB-CB 4.24Å; F542-F561 HydrophobicContact CB-CD1 3.72Å; F542-F561 HydrophobicContact CB-CE1 4.39Å; F542-F561 HydrophobicContact CB-CG 4.15Å; G543-F561 WeakPolarHBondContact CA-O 3.22Å; G544-F561 PolarHBondContact N-O 3.31Å; G544-F561 PolarHBondContact O-N 3.12Å; F561-V574 HydrophobicContact CD1-CB 4.37Å; F561-V574 HydrophobicContact CD1-CG2 4.05Å; F561-V574 HydrophobicContact CD2-CG2 4.44Å; F561-V574 HydrophobicContact CE1-CG2 4.03Å; F561-V574 HydrophobicContact CE2-CG2 4.41Å; F561-V574 HydrophobicContact CG-CG2 4.26Å; F561-V574 HydrophobicContact CZ-CG2 4.2Å; F561-W594 AromaticContact CD1-CD1 3.78Å; F561-W594 HydrophobicContact CD1-CG 4.4Å; F561-W594 HydrophobicContact CE1-CB 4.1Å; F561-W594 AromaticContact CE1-CD1 3.91Å; F561-W594 HydrophobicContact CE1-CG 4.07Å
562Q91.5Very high86.4Confident73 Ų7360.8 Ų60.834%0.34131%0.309SS..EExtended strand (participates in β ladder)trans-100.4107-168.6-64.3-175.5-26.400109.4E560 C573E560-Q562 HydrophobicContact CG-CG 4.02Å; E560-Q562 PolarHBondContact OE2-NE2 3.1Å; Q562-C573 HydrophobicContact CB-CB 3.98Å; Q562-C573 PolarHBondContact N-O 3.12Å
563T88.3Confident86.3Confident26 Ų2656 Ų5616%0.1629%0.291CS..PPolyproline II helixtrans-59.6146.6169.252.60000110.2E59 Y530 E541 P565E59-T563 HydrophobicContact CG-CG2 4.07Å; Y530-T563 HydrophobicContact CD2-CG2 4.07Å; Y530-T563 HydrophobicContact CE2-CG2 4.11Å; E541-T563 HydrophobicContact CG-CG2 4.38Å; T563-P565 WeakPolarHBondContact O-CD 3.22Å
564K80Confident86.2Confident107 Ų10755.1 Ų55.147%0.46529%0.286SS..PPolyproline II helixtrans-59.9116.9-175.3-175.9-167.3-175.31750111.6E541 F566 V571E541-K564 VanDerWaalsContact OE1-CB 3.25Å; E541-K564 WeakPolarHBondContact OE1-CB 3.48Å; E541-K564 PolarHBondContact OE1-N 3.05Å; K564-F566 PolarHBondContact O-N 2.87Å; K564-V571 HydrophobicContact CB-CG1 4.03Å; K564-V571 HydrophobicContact CD-CG1 3.73Å; K564-V571 HydrophobicContact CG-CG1 4.01Å
565P73.1Confident86.2Confident65 Ų6556 Ų5642%0.42228%0.281SS..PPolyproline II helixtrans-55.3135.3171.5-26.834.3000112.3T563 Y567T563-P565 WeakPolarHBondContact O-CD 3.22Å; P565-Y567 PolarHBondContact O-N 2.91Å
566F67.9Low86.2Confident85 Ų8554.5 Ų54.537%0.37328%0.275SS..THydrogen-bonded Turntrans-61-13.5-178.769.7-94.5000114.1W8 W15 K564W8-F566 AromaticContact CD2-CE2 3.66Å; W8-F566 HydrophobicContact CD2-CE2 3.66Å; W8-F566 HydrophobicContact CD2-CZ 4.39Å; W8-F566 AromaticContact CE2-CE2 3.9Å; W8-F566 AromaticContact CE3-CE2 3.74Å; W8-F566 HydrophobicContact CE3-CE2 3.74Å; W8-F566 HydrophobicContact CE3-CZ 4.02Å; W8-F566 HydrophobicContact CG-CE2 4.05Å; W8-F566 HydrophobicContact CH2-CE2 4.32Å; W8-F566 HydrophobicContact CZ2-CE2 4.24Å; W8-F566 HydrophobicContact CZ3-CE2 4.08Å; W8-F566 HydrophobicContact CZ3-CZ 4.14Å; W15-F566 AromaticContact CE2-CZ 3.8Å; W15-F566 HydrophobicContact CZ2-CE1 4.04Å; W15-F566 HydrophobicContact CZ2-CE2 4.25Å; W15-F566 AromaticContact CZ2-CZ 3.61Å; W15-F566 HydrophobicContact CZ2-CZ 3.61Å; W15-F566 AromaticContact NE1-CZ 3.68Å; K564-F566 PolarHBondContact O-N 2.87Å
567Y63Low86.2Confident124 Ų12453.8 Ų53.849%0.48627%0.269SS..THydrogen-bonded Turntrans-121.6119.1172.763-78.3000110.9W8 P565 G569W8-Y567 HydrophobicContact CH2-CD1 4.4Å; W8-Y567 HydrophobicContact CH2-CG 4.28Å; W8-Y567 HydrophobicContact CZ2-CG 4.25Å; P565-Y567 PolarHBondContact O-N 2.91Å; Y567-G569 PolarHBondContact O-N 3.22Å
568N54.3Low86.2Confident170 Ų17053.8 Ų53.891%0.90927%0.269SS*.THydrogen-bonded Turntrans48.731.1169.5-153.853.8000116.3
569G65.3Low86.2Confident21 Ų2152.1 Ų52.122%0.21626%0.257CS..PPolyproline II helixtrans-89.9148.9-176.400000114.6Y567Y567-G569 PolarHBondContact O-N 3.22Å
570K79.8Confident86.2Confident145 Ų14555.5 Ų55.563%0.6327%0.269SS*.PPolyproline II helixtrans-82.1151.4166.8-66.1-174.3-178.3-176.10110.5
571V85.3Confident86.2Confident47 Ų4754.5 Ų54.529%0.28527%0.268SS..SBendtrans-88.3160.3173.5-72.80000111.4W539 K564 C573W539-V571 HydrophobicContact CH2-CG1 3.61Å; W539-V571 HydrophobicContact CZ2-CG1 4.48Å; W539-V571 HydrophobicContact CZ3-CB 4.3Å; W539-V571 HydrophobicContact CZ3-CG1 3.81Å; K564-V571 HydrophobicContact CB-CG1 4.03Å; K564-V571 HydrophobicContact CD-CG1 3.73Å; K564-V571 HydrophobicContact CG-CG1 4.01Å; V571-C573 PolarHBondContact O-N 3.42Å; V571-C573 VanDerWaalsContact O-N 3.08Å
572H89.5Confident86Confident26 Ų2664.4 Ų64.412%0.1231%0.312CS..SBendtrans59.218.8171.7-42.1-63.7000115.3W539 V540 H593 W594 N595W539-H572 AromaticContact CE3-CE1 3.97Å; W539-H572 AromaticContact CZ3-CE1 3.98Å; V540-H572 PolarHBondContact O-CE1 2.74Å; V540-H572 VanDerWaalsContact O-CE1 3.28Å; H572-H593 VanDerWaalsContact O-CA 3.26Å; H572-H593 WeakPolarHBondContact O-CA 3.29Å; H572-W594 HydrophobicContact CB-CZ2 4.34Å; H572-W594 AromaticContact ND1-CE2 3.91Å; H572-W594 AromaticContact ND1-CZ2 3.51Å; H572-W594 AromaticContact ND1-NE1 3.99Å; H572-W594 PolarHBondContact O-N 2.9Å; H572-N595 PolarHBondContact CD2-ND2 3.13Å
573C93.9Very high86.1Confident24 Ų2464.8 Ų64.816%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-67.1145.6179.5-77.80000111.2Q562 V571 G592Q562-C573 HydrophobicContact CB-CB 3.98Å; Q562-C573 PolarHBondContact N-O 3.12Å; V571-C573 PolarHBondContact O-N 3.42Å; V571-C573 VanDerWaalsContact O-N 3.08Å; C573-G592 WeakPolarHBondContact CA-O 3.45Å
574V96.4Very high86.3Confident6 Ų673.4 Ų73.44%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-144.8145.9178.365.20000110.8M407 E560 F561 R591 G592 W594 M598M407-V574 HydrophobicContact CE-CB 4.31Å; M407-V574 HydrophobicContact CE-CG1 3.86Å; M407-V574 HydrophobicContact CE-CG2 3.76Å; M407-V574 HydrophobicContact SD-CG2 4.4Å; E560-V574 WeakPolarHBondContact O-CA 2.97Å; F561-V574 HydrophobicContact CD1-CB 4.37Å; F561-V574 HydrophobicContact CD1-CG2 4.05Å; F561-V574 HydrophobicContact CD2-CG2 4.44Å; F561-V574 HydrophobicContact CE1-CG2 4.03Å; F561-V574 HydrophobicContact CE2-CG2 4.41Å; F561-V574 HydrophobicContact CG-CG2 4.26Å; F561-V574 HydrophobicContact CZ-CG2 4.2Å; V574-R591 WeakPolarHBondContact O-CA 3.37Å; V574-G592 PolarHBondContact N-O 2.85Å; V574-G592 PolarHBondContact O-N 2.84Å; V574-G592 VanDerWaalsContact O-N 3.1Å; V574-W594 HydrophobicContact CG1-CB 4.19Å; V574-M598 HydrophobicContact CG1-CG 4.14Å; V574-M598 HydrophobicContact CG1-SD 3.8Å
575K97.8Very high87Confident49 Ų4973 Ų7321%0.21336%0.356CS..EExtended strand (participates in β ladder)trans-132.7137.7173.8-180-157.3166.3-140.50108.7L559 E560 D577 T589 V590 R591L559-K575 CarbonylContact C-O 3.48Å; L559-K575 WeakPolarHBondContact CA-O 3.49Å; E560-K575 PolarHBondContact N-O 3.45Å; E560-K575 PolarHBondContact O-N 3.17Å; K575-D577 VanDerWaalsContact CE-CG 3.42Å; K575-D577 WeakPolarHBondContact CE-OD1 3.42Å; K575-D577 WeakPolarHBondContact CE-OD2 3.48Å; K575-D577 IonicContact NZ-OD1 3.43Å; K575-D577 IonicContact NZ-OD2 2.89Å; K575-D577 PolarHBondContact NZ-OD2 3.29Å; K575-T589 HydrophobicContact CG-CG2 4.5Å; K575-V590 CarbonylContact C-O 3.55Å; K575-V590 WeakPolarHBondContact CA-O 3.37Å; K575-R591 HydrophobicContact CB-CG 4.4Å; K575-R591 HydrophobicContact CG-CG 4.13Å
576A98.6Very high88.1Confident2 Ų272 Ų722%0.01735%0.35CS..EExtended strand (participates in β ladder)trans-134.6129.3168.300000110.2L403 V557 D558 L559 T589 V590L403-A576 HydrophobicContact CD1-CB 4.19Å; L403-A576 HydrophobicContact CD2-CB 4.16Å; V557-A576 HydrophobicContact CG1-CB 3.83Å; D558-A576 CarbonylContact O-C 3.56Å; D558-A576 VanDerWaalsContact O-CA 3.32Å; D558-A576 WeakPolarHBondContact O-CA 3.45Å; L559-A576 HydrophobicContact CB-CB 4.43Å; L559-A576 HydrophobicContact CD2-CB 4.08Å; L559-A576 HydrophobicContact CG-CB 3.77Å; A576-T589 CarbonylContact O-C 3.53Å; A576-T589 WeakPolarHBondContact O-CA 3.26Å; A576-V590 HydrophobicContact CB-CB 4.28Å; A576-V590 PolarHBondContact N-O 3.25Å; A576-V590 PolarHBondContact O-N 3.47Å
577D98.5Very high89.5Confident16 Ų1669 Ų699%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-107.9125.3175.4-77.2-20.4000109.3V557 D558 K575 Y579 T589V557-D577 VanDerWaalsContact CA-O 3.32Å; V557-D577 WeakPolarHBondContact CA-O 3.45Å; V557-D577 WeakPolarHBondContact CG1-O 3.24Å; D558-D577 PolarHBondContact N-O 3.3Å; D558-D577 PolarHBondContact O-N 2.94Å; K575-D577 VanDerWaalsContact CE-CG 3.42Å; K575-D577 WeakPolarHBondContact CE-OD1 3.42Å; K575-D577 WeakPolarHBondContact CE-OD2 3.48Å; K575-D577 IonicContact NZ-OD1 3.43Å; K575-D577 IonicContact NZ-OD2 2.89Å; K575-D577 PolarHBondContact NZ-OD2 3.29Å; D577-Y579 HydrophobicContact CB-CE2 3.92Å; D577-Y579 WeakPolarHBondContact O-CD2 3.47Å; D577-Y579 WeakPolarHBondContact O-CE2 3.46Å; D577-T589 WeakPolarHBondContact OD1-CB 3.23Å; D577-T589 WeakPolarHBondContact OD1-CG2 3.2Å; D577-T589 PolarHBondContact OD1-OG1 3.07Å
578L98.5Very high91.2Very high0 Ų063.3 Ų63.30%032%0.315CS..EExtended strand (participates in β ladder)trans-101.9132-177.1-60.882.8000110.4I400 L403 V557 S586 F587 A588 V590I400-L578 HydrophobicContact CG1-CD2 3.79Å; L403-L578 HydrophobicContact CD2-CD1 3.72Å; L403-L578 HydrophobicContact CD2-CD2 3.92Å; L403-L578 HydrophobicContact CD2-CG 3.95Å; V557-L578 HydrophobicContact CG1-CG 4.14Å; V557-L578 HydrophobicContact CG2-CB 4.5Å; V557-L578 HydrophobicContact CG2-CD2 4.36Å; V557-L578 HydrophobicContact CG2-CG 3.95Å; L578-S586 CarbonylContact O-C 3.55Å; L578-S586 WeakPolarHBondContact O-CA 3.26Å; L578-S586 WeakPolarHBondContact O-CB 3.39Å; L578-F587 HydrophobicContact CB-CD1 4.15Å; L578-F587 HydrophobicContact CB-CE1 3.51Å; L578-F587 HydrophobicContact CB-CE2 4.38Å; L578-F587 HydrophobicContact CB-CZ 3.64Å; L578-F587 HydrophobicContact CD2-CZ 3.98Å; L578-F587 HydrophobicContact CG-CZ 4.48Å; L578-F587 WeakPolarHBondContact O-CD1 3.16Å; L578-F587 PolarHBondContact O-N 2.87Å; L578-A588 HydrophobicContact CB-CB 4.49Å; L578-A588 HydrophobicContact CD1-CB 4.16Å; L578-A588 WeakPolarHBondContact CD1-O 3.49Å; L578-A588 PolarHBondContact N-O 2.81Å; L578-V590 HydrophobicContact CD1-CG2 4.08Å
579Y98.5Very high93.3Very high40 Ų4056.3 Ų56.316%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-119.5149.3-176.4-56.1-89000112.3Y555 S556 D558 D577Y555-Y579 WeakPolarHBondContact CD1-O 3.34Å; S556-Y579 PolarHBondContact N-O 3.22Å; S556-Y579 PolarHBondContact O-N 3.04Å; D558-Y579 HydrophobicContact CB-CE2 4.08Å; D558-Y579 VanDerWaalsContact OD2-CE2 3.23Å; D558-Y579 WeakPolarHBondContact OD2-CE2 3.41Å; D577-Y579 HydrophobicContact CB-CE2 3.92Å; D577-Y579 WeakPolarHBondContact O-CD2 3.47Å; D577-Y579 WeakPolarHBondContact O-CE2 3.46Å
580R97.6Very high94.9Very high76 Ų7655.5 Ų55.529%0.28727%0.269SS..  trans-91.2164.6169.3-64-155.6-178.186.37.2110.7E396 Y555 F582 E583 F587E396-R580 IonicContact OE1-NH2 3.48Å; E396-R580 PolarHBondContact OE1-NH2 2.92Å; E396-R580 IonicContact OE2-CZ 3.21Å; E396-R580 IonicContact OE2-NE 2.76Å; E396-R580 PolarHBondContact OE2-NE 2.85Å; E396-R580 IonicContact OE2-NH2 2.79Å; E396-R580 PolarHBondContact OE2-NH2 2.85Å; Y555-R580 HydrophobicContact CE1-CB 4.42Å; Y555-R580 HydrophobicContact CE1-CG 3.87Å; R580-F582 PolarHBondContact O-N 3.32Å; R580-E583 HydrophobicContact CB-CB 4.19Å; R580-E583 HydrophobicContact CB-CG 4.04Å; R580-E583 IonicContact NH1-OE1 3.27Å; R580-E583 IonicContact NH1-OE2 2.74Å; R580-E583 PolarHBondContact O-N 2.97Å; R580-E583 VanDerWaalsContact O-N 3.1Å; R580-F587 HydrophobicContact CG-CB 4.35Å; R580-F587 HydrophobicContact CG-CD1 3.58Å; R580-F587 HydrophobicContact CG-CE1 4.15Å; R580-F587 HydrophobicContact CG-CG 4.12Å; R580-F587 VanDerWaalsContact NH1-CB 3.29Å
581P96.9Very high95.7Very high40 Ų4054.7 Ų54.726%0.2626%0.262SS..THydrogen-bonded Turntrans-53.6123.6178.8-25.635.5000111.9T553 G554 Y555 E583T553-P581 WeakPolarHBondContact O-CG 3.38Å; G554-P581 WeakPolarHBondContact O-CA 3.47Å; Y555-P581 HydrophobicContact CD2-CG 4.05Å; Y555-P581 HydrophobicContact CE2-CG 4.02Å; P581-E583 PolarHBondContact O-N 2.84Å; P581-E583 VanDerWaalsContact O-N 3.11Å
582F91.4Very high96.2Very high211 Ų21153.2 Ų53.293%0.92526%0.257SS*.THydrogen-bonded Turntrans64.43.3178.5-38-75.5000116R580R580-F582 PolarHBondContact O-N 3.32Å
583E93.9Very high96.4Very high81 Ų8154.7 Ų54.738%0.37926%0.264SS..  trans-83.3131173.6-73.5-179.1-15100111.1R580 P581R580-E583 HydrophobicContact CB-CB 4.19Å; R580-E583 HydrophobicContact CB-CG 4.04Å; R580-E583 IonicContact NH1-OE1 3.27Å; R580-E583 IonicContact NH1-OE2 2.74Å; R580-E583 PolarHBondContact O-N 2.97Å; R580-E583 VanDerWaalsContact O-N 3.1Å; P581-E583 PolarHBondContact O-N 2.84Å; P581-E583 VanDerWaalsContact O-N 3.11Å
584K91.4Very high96.4Very high206 Ų20653.8 Ų53.890%0.89626%0.257SS*.SBendtrans-88.6-4.9174.2-66.2-168.5177.4-171.50114.1
585T95.3Very high96.1Very high99 Ų9955.7 Ų55.761%0.60727%0.267SS*.SBendtrans-107.7132.2179.644.20000108.8
586S96.9Very high95.8Very high44 Ų4454.1 Ų54.131%0.30826%0.263SS..  trans-68.4133.9175.355.80000110.6L578 T589L578-S586 CarbonylContact O-C 3.55Å; L578-S586 WeakPolarHBondContact O-CA 3.26Å; L578-S586 WeakPolarHBondContact O-CB 3.39Å; S586-T589 PolarHBondContact OG-OG1 3.05Å
587F97.1Very high95.7Very high23 Ų2355.7 Ų55.710%0.10127%0.274CS..SBendtrans-83.5-23.6176.372.9-93.2000112E396 I400 Y555 L578 R580E396-F587 HydrophobicContact CG-CD2 4.39Å; E396-F587 HydrophobicContact CG-CE2 3.54Å; E396-F587 HydrophobicContact CG-CZ 3.64Å; I400-F587 HydrophobicContact CD1-CE2 4.22Å; Y555-F587 HydrophobicContact CD1-CE1 4.07Å; Y555-F587 HydrophobicContact CD1-CZ 4.47Å; Y555-F587 HydrophobicContact CE1-CE1 4.1Å; Y555-F587 HydrophobicContact CE1-CZ 4.38Å; L578-F587 HydrophobicContact CB-CD1 4.15Å; L578-F587 HydrophobicContact CB-CE1 3.51Å; L578-F587 HydrophobicContact CB-CE2 4.38Å; L578-F587 HydrophobicContact CB-CZ 3.64Å; L578-F587 HydrophobicContact CD2-CZ 3.98Å; L578-F587 HydrophobicContact CG-CZ 4.48Å; L578-F587 WeakPolarHBondContact O-CD1 3.16Å; L578-F587 PolarHBondContact O-N 2.87Å; R580-F587 HydrophobicContact CG-CB 4.35Å; R580-F587 HydrophobicContact CG-CD1 3.58Å; R580-F587 HydrophobicContact CG-CE1 4.15Å; R580-F587 HydrophobicContact CG-CG 4.12Å; R580-F587 VanDerWaalsContact NH1-CB 3.29Å
588A97.8Very high95.7Very high3 Ų355 Ų553%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-145.7151.6172.700000110.5L578 I600 K601 T602L578-A588 HydrophobicContact CB-CB 4.49Å; L578-A588 HydrophobicContact CD1-CB 4.16Å; L578-A588 WeakPolarHBondContact CD1-O 3.49Å; L578-A588 PolarHBondContact N-O 2.81Å; A588-I600 HydrophobicContact CB-CD1 4.07Å; A588-I600 HydrophobicContact CB-CG1 4.15Å; A588-K601 CarbonylContact C-O 3.45Å; A588-K601 VanDerWaalsContact CA-O 3.23Å; A588-K601 WeakPolarHBondContact CA-O 3.19Å; A588-T602 HydrophobicContact CB-CG2 4.22Å
589T98.4Very high95.7Very high24 Ų2457 Ų5715%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-131.3123.3175.7-680000109K575 A576 D577 S586 R591 K601K575-T589 HydrophobicContact CG-CG2 4.5Å; A576-T589 CarbonylContact O-C 3.53Å; A576-T589 WeakPolarHBondContact O-CA 3.26Å; D577-T589 WeakPolarHBondContact OD1-CB 3.23Å; D577-T589 WeakPolarHBondContact OD1-CG2 3.2Å; D577-T589 PolarHBondContact OD1-OG1 3.07Å; S586-T589 PolarHBondContact OG-OG1 3.05Å; T589-R591 HydrophobicContact CG2-CG 3.9Å; T589-K601 PolarHBondContact N-O 2.84Å; T589-K601 PolarHBondContact O-N 2.83Å
590V98.5Very high95.6Very high3 Ų355.3 Ų55.32%0.01828%0.276CS..EExtended strand (participates in β ladder)trans-93.3135170.3179.80000109.2L403 K575 A576 L578 M598 T599 I600 F609L403-V590 HydrophobicContact CD2-CG2 3.84Å; K575-V590 CarbonylContact C-O 3.55Å; K575-V590 WeakPolarHBondContact CA-O 3.37Å; A576-V590 HydrophobicContact CB-CB 4.28Å; A576-V590 PolarHBondContact N-O 3.25Å; A576-V590 PolarHBondContact O-N 3.47Å; L578-V590 HydrophobicContact CD1-CG2 4.08Å; V590-M598 HydrophobicContact CG1-CB 4Å; V590-T599 CarbonylContact C-O 3.54Å; V590-T599 VanDerWaalsContact CA-O 3.25Å; V590-T599 WeakPolarHBondContact CA-O 3.44Å; V590-I600 HydrophobicContact CG2-CB 3.99Å; V590-I600 HydrophobicContact CG2-CD1 3.99Å; V590-I600 HydrophobicContact CG2-CG1 3.88Å; V590-F609 HydrophobicContact CG1-CB 4.33Å; V590-F609 HydrophobicContact CG1-CD1 3.62Å; V590-F609 HydrophobicContact CG1-CE1 4.06Å; V590-F609 HydrophobicContact CG1-CG 4.02Å; V590-F609 HydrophobicContact CG2-CD1 4.13Å; V590-F609 HydrophobicContact CG2-CD2 4.02Å; V590-F609 HydrophobicContact CG2-CE1 4.17Å; V590-F609 HydrophobicContact CG2-CE2 4.08Å; V590-F609 HydrophobicContact CG2-CG 4.04Å; V590-F609 HydrophobicContact CG2-CZ 4.14Å
591R97.7Very high95.7Very high128 Ų12857 Ų5748%0.48329%0.285SS..EExtended strand (participates in β ladder)trans-142.5150176.2-74.2173.3-171.8-95.35111.3V574 K575 T589 M598 T599V574-R591 WeakPolarHBondContact O-CA 3.37Å; K575-R591 HydrophobicContact CB-CG 4.4Å; K575-R591 HydrophobicContact CG-CG 4.13Å; T589-R591 HydrophobicContact CG2-CG 3.9Å; R591-M598 CarbonylContact O-C 3.5Å; R591-M598 VanDerWaalsContact O-CA 3.28Å; R591-M598 WeakPolarHBondContact O-CA 3.44Å; R591-T599 PolarHBondContact N-O 3.05Å; R591-T599 PolarHBondContact O-N 2.86Å
592G95.8Very high95.6Very high17 Ų1757.2 Ų57.218%0.17529%0.286CS..EExtended strand (participates in β ladder)trans156.1-136.8170.700000111.9C573 V574C573-G592 WeakPolarHBondContact CA-O 3.45Å; V574-G592 PolarHBondContact N-O 2.85Å; V574-G592 PolarHBondContact O-N 2.84Å; V574-G592 VanDerWaalsContact O-N 3.1Å
593H94.3Very high95.6Very high57 Ų5752.4 Ų52.426%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-128.4126.5177.8-37.674.3000108.4H572 N595 A596 C597H572-H593 VanDerWaalsContact O-CA 3.26Å; H572-H593 WeakPolarHBondContact O-CA 3.29Å; H593-N595 PolarHBondContact O-N 2.87Å; H593-A596 HydrophobicContact CB-CB 4.34Å; H593-A596 CarbonylContact O-C 3.6Å; H593-A596 PolarHBondContact O-N 3.31Å; H593-C597 PolarHBondContact N-O 3.16Å; H593-C597 VanDerWaalsContact N-O 3.08Å
594W93.8Very high95.5Very high4 Ų455.5 Ų55.52%0.01530%0.298CS..THydrogen-bonded Turntrans-64.9-26.2-171.761.3-102.4000113.2M407 F410 R414 F542 F561 H572 V574M407-W594 HydrophobicContact CE-CB 3.83Å; F410-W594 HydrophobicContact CB-CD2 4.09Å; F410-W594 HydrophobicContact CB-CE3 3.53Å; F410-W594 HydrophobicContact CB-CZ3 4.04Å; F410-W594 WeakPolarHBondContact O-CZ3 3.48Å; R414-W594 HydrophobicContact CB-CH2 4.32Å; F542-W594 HydrophobicContact CD2-CD2 4.05Å; F542-W594 AromaticContact CD2-CE2 3.53Å; F542-W594 HydrophobicContact CD2-CE3 4.4Å; F542-W594 AromaticContact CD2-CH2 3.92Å; F542-W594 HydrophobicContact CD2-CH2 3.92Å; F542-W594 AromaticContact CD2-CZ2 3.48Å; F542-W594 HydrophobicContact CD2-CZ2 3.48Å; F542-W594 VanDerWaalsContact CD2-CZ2 3.48Å; F542-W594 HydrophobicContact CD2-CZ3 4.34Å; F542-W594 AromaticContact CD2-NE1 3.87Å; F542-W594 HydrophobicContact CE2-CE3 4.43Å; F542-W594 AromaticContact CE2-CH2 3.77Å; F542-W594 HydrophobicContact CE2-CH2 3.77Å; F542-W594 AromaticContact CE2-CZ2 3.83Å; F542-W594 HydrophobicContact CE2-CZ2 3.83Å; F542-W594 HydrophobicContact CE2-CZ3 4.07Å; F561-W594 AromaticContact CD1-CD1 3.78Å; F561-W594 HydrophobicContact CD1-CG 4.4Å; F561-W594 HydrophobicContact CE1-CB 4.1Å; F561-W594 AromaticContact CE1-CD1 3.91Å; F561-W594 HydrophobicContact CE1-CG 4.07Å; H572-W594 HydrophobicContact CB-CZ2 4.34Å; H572-W594 AromaticContact ND1-CE2 3.91Å; H572-W594 AromaticContact ND1-CZ2 3.51Å; H572-W594 AromaticContact ND1-NE1 3.99Å; H572-W594 PolarHBondContact O-N 2.9Å; V574-W594 HydrophobicContact CG1-CB 4.19Å
595N90.2Very high95.6Very high47 Ų4748.1 Ų48.125%0.25127%0.272SS..THydrogen-bonded Turntrans-89.34177.670-22.5000114.1Y411 H572 H593 V612Y411-N595 HydrophobicContact CD2-CB 4.16Å; H572-N595 PolarHBondContact CD2-ND2 3.13Å; H593-N595 PolarHBondContact O-N 2.87Å; N595-V612 VanDerWaalsContact C-CG2 3.47Å
596A91.4Very high95.7Very high16 Ų1648.7 Ų48.713%0.13227%0.268CS..SBendtrans-144.8-117.1-176.400000111.3H593 D611 V612H593-A596 HydrophobicContact CB-CB 4.34Å; H593-A596 CarbonylContact O-C 3.6Å; H593-A596 PolarHBondContact O-N 3.31Å; A596-D611 CarbonylContact O-C 3.5Å; A596-D611 WeakPolarHBondContact O-CA 3.17Å; A596-V612 PolarHBondContact O-N 2.82Å
597C95.4Very high95.7Very high35 Ų3551.7 Ų51.724%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-107.5137.3-176.7-172.50000111.5H593 L610 D611H593-C597 PolarHBondContact N-O 3.16Å; H593-C597 VanDerWaalsContact N-O 3.08Å; C597-L610 WeakPolarHBondContact CA-O 3.41Å; C597-D611 HydrophobicContact CB-CB 4.17Å
598M98.2Very high95.7Very high0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-123.8138.1171.8-70.9163.8-8500109.6M407 V574 V590 R591 F609 L610M407-M598 HydrophobicContact CB-CE 4.23Å; M407-M598 HydrophobicContact CB-SD 4.19Å; M407-M598 HydrophobicContact CE-CE 4.44Å; M407-M598 HydrophobicContact CE-SD 3.68Å; M407-M598 HydrophobicContact CG-SD 4.31Å; V574-M598 HydrophobicContact CG1-CG 4.14Å; V574-M598 HydrophobicContact CG1-SD 3.8Å; V590-M598 HydrophobicContact CG1-CB 4Å; R591-M598 CarbonylContact O-C 3.5Å; R591-M598 VanDerWaalsContact O-CA 3.28Å; R591-M598 WeakPolarHBondContact O-CA 3.44Å; M598-F609 HydrophobicContact CB-CB 4.46Å; M598-F609 HydrophobicContact CB-CD1 4.41Å; M598-F609 WeakPolarHBondContact O-CB 3.28Å; M598-F609 PolarHBondContact O-N 2.65Å; M598-L610 HydrophobicContact CE-CB 4.25Å; M598-L610 HydrophobicContact CE-CD2 3.88Å; M598-L610 HydrophobicContact CE-CG 4.31Å; M598-L610 PolarHBondContact N-O 3.32Å; M598-L610 PolarHBondContact O-N 3.25Å
599T98.3Very high95.7Very high43 Ų4354.9 Ų54.926%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-103150.3169.957.10000110.6V590 R591 E606 E607V590-T599 CarbonylContact C-O 3.54Å; V590-T599 VanDerWaalsContact CA-O 3.25Å; V590-T599 WeakPolarHBondContact CA-O 3.44Å; R591-T599 PolarHBondContact N-O 3.05Å; R591-T599 PolarHBondContact O-N 2.86Å; T599-E606 PolarHBondContact OG1-OE1 3.05Å; T599-E607 CarbonylContact C-O 3.46Å; T599-E607 WeakPolarHBondContact CA-O 3.47Å; T599-E607 VanDerWaalsContact CB-O 3.25Å; T599-E607 WeakPolarHBondContact CB-O 3.48Å
600I98.3Very high95.6Very high4 Ų454.2 Ų54.22%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-109.5130.2167.6-173.8166.9000108.4I400 A588 V590 E606 E607 F609I400-I600 HydrophobicContact CG2-CD1 4.48Å; A588-I600 HydrophobicContact CB-CD1 4.07Å; A588-I600 HydrophobicContact CB-CG1 4.15Å; V590-I600 HydrophobicContact CG2-CB 3.99Å; V590-I600 HydrophobicContact CG2-CD1 3.99Å; V590-I600 HydrophobicContact CG2-CG1 3.88Å; I600-E606 WeakPolarHBondContact O-CA 3.49Å; I600-E607 HydrophobicContact CG2-CG 3.52Å; I600-E607 PolarHBondContact N-O 2.86Å; I600-E607 PolarHBondContact O-N 2.69Å; I600-F609 HydrophobicContact CB-CB 3.9Å; I600-F609 HydrophobicContact CB-CD2 3.86Å; I600-F609 HydrophobicContact CB-CG 4.2Å; I600-F609 HydrophobicContact CD1-CD2 4Å; I600-F609 HydrophobicContact CD1-CE2 4.21Å; I600-F609 HydrophobicContact CG1-CD2 4.49Å; I600-F609 HydrophobicContact CG2-CB 4.03Å; I600-F609 HydrophobicContact CG2-CD2 4.02Å
601K98.1Very high95.5Very high111 Ų11154.6 Ų54.648%0.48330%0.295SS..EExtended strand (participates in β ladder)trans-112127.5176.2-168-174.3-16888.40109.1A588 T589 E606A588-K601 CarbonylContact C-O 3.45Å; A588-K601 VanDerWaalsContact CA-O 3.23Å; A588-K601 WeakPolarHBondContact CA-O 3.19Å; T589-K601 PolarHBondContact N-O 2.84Å; T589-K601 PolarHBondContact O-N 2.83Å; K601-E606 HydrophobicContact CB-CB 4.49Å; K601-E606 HydrophobicContact CB-CG 4.09Å; K601-E606 HydrophobicContact CG-CB 4.22Å; K601-E606 HydrophobicContact CG-CG 4.21Å; K601-E606 IonicContact NZ-OE2 2.72Å; K601-E606 PolarHBondContact NZ-OE2 3.27Å
602T95.7Very high95.1Very high45 Ų4548.5 Ų48.528%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-112.2-174.8172.3720000109.5A588 N604 S605A588-T602 HydrophobicContact CB-CG2 4.22Å; T602-N604 PolarHBondContact O-N 3.13Å; T602-N604 PolarHBondContact OG1-N 3.47Å; T602-S605 PolarHBondContact N-O 3.08Å; T602-S605 PolarHBondContact OG1-N 2.84Å; T602-S605 PolarHBondContact OG1-O 3.37Å; T602-S605 PolarHBondContact OG1-OG 3.41Å
603S91.6Very high94.8Very high110 Ų11054.5 Ų54.577%0.76929%0.289SS*.SBendtrans-64.6-19.8167.359.30000113.9
604N91Very high94.6Very high146 Ų14661 Ų6178%0.78131%0.311SS*.SBendtrans-117.6-21.8-165-57.2-13.1000113.3T602T602-N604 PolarHBondContact O-N 3.13Å; T602-N604 PolarHBondContact OG1-N 3.47Å
605S94Very high94.4Very high51 Ų5163.6 Ų63.636%0.35733%0.325SS..  trans-151158.8-170.959.40000112.2T602T602-S605 PolarHBondContact N-O 3.08Å; T602-S605 PolarHBondContact OG1-N 2.84Å; T602-S605 PolarHBondContact OG1-O 3.37Å; T602-S605 PolarHBondContact OG1-OG 3.41Å
606E96.9Very high94.3Very high111 Ų11168.7 Ų68.752%0.51935%0.352SS..EExtended strand (participates in β ladder)trans-133.9123.1159.7-170.6167.6168.300108.3T599 I600 K601T599-E606 PolarHBondContact OG1-OE1 3.05Å; I600-E606 WeakPolarHBondContact O-CA 3.49Å; K601-E606 HydrophobicContact CB-CB 4.49Å; K601-E606 HydrophobicContact CB-CG 4.09Å; K601-E606 HydrophobicContact CG-CB 4.22Å; K601-E606 HydrophobicContact CG-CG 4.21Å; K601-E606 IonicContact NZ-OE2 2.72Å; K601-E606 PolarHBondContact NZ-OE2 3.27Å
607E97.1Very high94.1Very high108 Ų10870.2 Ų70.251%0.50536%0.361SS..EExtended strand (participates in β ladder)trans-142.2166.6-170.966-178.2-174.900111.8T599 I600 F609T599-E607 CarbonylContact C-O 3.46Å; T599-E607 WeakPolarHBondContact CA-O 3.47Å; T599-E607 VanDerWaalsContact CB-O 3.25Å; T599-E607 WeakPolarHBondContact CB-O 3.48Å; I600-E607 HydrophobicContact CG2-CG 3.52Å; I600-E607 PolarHBondContact N-O 2.86Å; I600-E607 PolarHBondContact O-N 2.69Å; E607-F609 PolarHBondContact O-N 3.05Å
608V97.3Very high93.8Very high86 Ų8669.7 Ų69.752%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-71.1116.9174.81770000109.2D611V608-D611 HydrophobicContact CG1-CB 4.39Å
609F97.8Very high93.4Very high6 Ų676.1 Ų76.13%0.02639%0.387CS..EExtended strand (participates in β ladder)trans-77.3-45.4177.6-179.9-112.9000111.6I400 L403 R404 M407 V590 M598 I600 E607I400-F609 HydrophobicContact CG2-CE2 4.02Å; L403-F609 HydrophobicContact CB-CZ 4.21Å; L403-F609 HydrophobicContact CD2-CZ 4.08Å; L403-F609 HydrophobicContact CG-CE1 4.26Å; L403-F609 HydrophobicContact CG-CZ 3.85Å; R404-F609 HydrophobicContact CB-CE1 4.04Å; R404-F609 HydrophobicContact CB-CE2 4.11Å; R404-F609 HydrophobicContact CB-CZ 3.57Å; R404-F609 HydrophobicContact CG-CE1 4.31Å; R404-F609 HydrophobicContact CG-CZ 4.22Å; R404-F609 PolarHBondContact NE-O 3.07Å; M407-F609 HydrophobicContact CG-CE1 4.4Å; V590-F609 HydrophobicContact CG1-CB 4.33Å; V590-F609 HydrophobicContact CG1-CD1 3.62Å; V590-F609 HydrophobicContact CG1-CE1 4.06Å; V590-F609 HydrophobicContact CG1-CG 4.02Å; V590-F609 HydrophobicContact CG2-CD1 4.13Å; V590-F609 HydrophobicContact CG2-CD2 4.02Å; V590-F609 HydrophobicContact CG2-CE1 4.17Å; V590-F609 HydrophobicContact CG2-CE2 4.08Å; V590-F609 HydrophobicContact CG2-CG 4.04Å; V590-F609 HydrophobicContact CG2-CZ 4.14Å; M598-F609 HydrophobicContact CB-CB 4.46Å; M598-F609 HydrophobicContact CB-CD1 4.41Å; M598-F609 WeakPolarHBondContact O-CB 3.28Å; M598-F609 PolarHBondContact O-N 2.65Å; I600-F609 HydrophobicContact CB-CB 3.9Å; I600-F609 HydrophobicContact CB-CD2 3.86Å; I600-F609 HydrophobicContact CB-CG 4.2Å; I600-F609 HydrophobicContact CD1-CD2 4Å; I600-F609 HydrophobicContact CD1-CE2 4.21Å; I600-F609 HydrophobicContact CG1-CD2 4.49Å; I600-F609 HydrophobicContact CG2-CB 4.03Å; I600-F609 HydrophobicContact CG2-CD2 4.02Å; E607-F609 PolarHBondContact O-N 3.05Å
610L96.6Very high93.1Very high10 Ų1076 Ų765%0.05238%0.383CS..EExtended strand (participates in β ladder)trans-164133.5-174.6-173.362.7000109L385 R404 M407 C597 M598 V612 L615L385-L610 HydrophobicContact CD1-CD1 4.01Å; R404-L610 HydrophobicContact CG-CD1 4.12Å; R404-L610 HydrophobicContact CG-CD2 4.43Å; M407-L610 HydrophobicContact CB-CD2 4.13Å; C597-L610 WeakPolarHBondContact CA-O 3.41Å; M598-L610 HydrophobicContact CE-CB 4.25Å; M598-L610 HydrophobicContact CE-CD2 3.88Å; M598-L610 HydrophobicContact CE-CG 4.31Å; M598-L610 PolarHBondContact N-O 3.32Å; M598-L610 PolarHBondContact O-N 3.25Å; L610-V612 HydrophobicContact CD1-CG1 4.43Å; L610-V612 HydrophobicContact CD2-CG1 3.72Å; L610-V612 HydrophobicContact CG-CG1 3.77Å; L610-L615 HydrophobicContact CD1-CD1 3.8Å
611D95.2Very high92.9Very high12 Ų1279.2 Ų79.26%0.06440%0.4CS..EExtended strand (participates in β ladder)trans-127.391.9166.6-169.8-3.8000107.7A596 C597 V608 R613 R614A596-D611 CarbonylContact O-C 3.5Å; A596-D611 WeakPolarHBondContact O-CA 3.17Å; C597-D611 HydrophobicContact CB-CB 4.17Å; V608-D611 HydrophobicContact CG1-CB 4.39Å; D611-R613 VanDerWaalsContact CG-NH2 3.3Å; D611-R613 PolarHBondContact O-N 3.13Å; D611-R613 VanDerWaalsContact O-N 3.07Å; D611-R613 IonicContact OD1-CZ 2.73Å; D611-R613 VanDerWaalsContact OD1-CZ 3.27Å; D611-R613 IonicContact OD1-NE 3.98Å; D611-R613 PolarHBondContact OD1-NE 3.06Å; D611-R613 IonicContact OD1-NH2 3.66Å; D611-R613 PolarHBondContact OD1-NH2 3.33Å; D611-R613 IonicContact OD2-NH2 3.03Å; D611-R613 PolarHBondContact OD2-NH2 3.33Å; D611-R614 HydrophobicContact CB-CG 4.11Å; D611-R614 WeakPolarHBondContact O-CB 3.5Å; D611-R614 PolarHBondContact O-N 2.9Å; D611-R614 IonicContact OD2-CZ 2.6Å; D611-R614 IonicContact OD2-NE 3.29Å; D611-R614 PolarHBondContact OD2-NE 2.87Å; D611-R614 IonicContact OD2-NH2 3.47Å; D611-R614 PolarHBondContact OD2-NH2 3.1Å
612V90.6Very high92.8Very high0 Ų075.4 Ų75.40%039%0.386CS..G310 helixtrans-61.6-22.4-167.2-63.30000113.4Y411 N595 A596 L610 R614 L615Y411-V612 HydrophobicContact CD1-CB 3.66Å; Y411-V612 HydrophobicContact CD1-CG2 3.64Å; Y411-V612 HydrophobicContact CD2-CB 4.46Å; Y411-V612 HydrophobicContact CD2-CG2 3.54Å; Y411-V612 HydrophobicContact CE1-CB 4.2Å; Y411-V612 HydrophobicContact CE1-CG2 4.08Å; Y411-V612 HydrophobicContact CE2-CG2 3.98Å; Y411-V612 HydrophobicContact CG-CB 3.79Å; Y411-V612 HydrophobicContact CG-CG2 3.33Å; N595-V612 VanDerWaalsContact C-CG2 3.47Å; A596-V612 PolarHBondContact O-N 2.82Å; L610-V612 HydrophobicContact CD1-CG1 4.43Å; L610-V612 HydrophobicContact CD2-CG1 3.72Å; L610-V612 HydrophobicContact CG-CG1 3.77Å; V612-R614 PolarHBondContact O-N 3.45Å; V612-L615 PolarHBondContact O-N 3.38Å
613R88.5Confident92.7Very high142 Ų14277.8 Ų77.854%0.53639%0.394SS..G310 helixtrans-76.2-3.3177.3-52.2162.7-58.8155.911113.4Y411 D611Y411-R613 HydrophobicContact CE2-CG 4.28Å; D611-R613 VanDerWaalsContact CG-NH2 3.3Å; D611-R613 PolarHBondContact O-N 3.13Å; D611-R613 VanDerWaalsContact O-N 3.07Å; D611-R613 IonicContact OD1-CZ 2.73Å; D611-R613 VanDerWaalsContact OD1-CZ 3.27Å; D611-R613 IonicContact OD1-NE 3.98Å; D611-R613 PolarHBondContact OD1-NE 3.06Å; D611-R613 IonicContact OD1-NH2 3.66Å; D611-R613 PolarHBondContact OD1-NH2 3.33Å; D611-R613 IonicContact OD2-NH2 3.03Å; D611-R613 PolarHBondContact OD2-NH2 3.33Å
614R90.8Very high92.9Very high194 Ų19475.2 Ų75.273%0.73238%0.375SS*.G310 helixtrans-109.89.8174.9-52.3-173.2-165.7-152.72.2112.8D611 V612D611-R614 HydrophobicContact CB-CG 4.11Å; D611-R614 WeakPolarHBondContact O-CB 3.5Å; D611-R614 PolarHBondContact O-N 2.9Å; D611-R614 IonicContact OD2-CZ 2.6Å; D611-R614 IonicContact OD2-NE 3.29Å; D611-R614 PolarHBondContact OD2-NE 2.87Å; D611-R614 IonicContact OD2-NH2 3.47Å; D611-R614 PolarHBondContact OD2-NH2 3.1Å; V612-R614 PolarHBondContact O-N 3.45Å
615L89.2Confident93.1Very high58 Ų5868.2 Ų68.230%0.30434%0.338SS..SBendtrans-108.5131.2179-59.1-177.9000109F382 L385 L610 V612F382-L615 HydrophobicContact CD1-CB 3.58Å; F382-L615 HydrophobicContact CD1-CD1 3.93Å; F382-L615 HydrophobicContact CD1-CG 4.42Å; F382-L615 HydrophobicContact CD2-CD1 4.39Å; F382-L615 HydrophobicContact CE1-CB 3.32Å; F382-L615 HydrophobicContact CE1-CD1 4.19Å; F382-L615 HydrophobicContact CE1-CG 4.41Å; F382-L615 HydrophobicContact CG-CB 4.47Å; F382-L615 HydrophobicContact CG-CD1 4.02Å; F382-L615 HydrophobicContact CZ-CB 4.05Å; L385-L615 HydrophobicContact CD1-CD1 3.96Å; L610-L615 HydrophobicContact CD1-CD1 3.8Å; V612-L615 PolarHBondContact O-N 3.38Å
616D87.7Confident93Very high154 Ų15470.7 Ų70.782%0.82435%0.346SS*.PPolyproline II helixtrans-75124.6172.6-61.9-57.6000109.4
617P88.1Confident92.8Very high49 Ų4971.5 Ų71.532%0.31835%0.35SS..PPolyproline II helixtrans-76.8132-179.429.7-33.4000111.4T381 F382T381-P617 HydrophobicContact CG2-CB 3.41Å; T381-P617 VanDerWaalsContact CG2-CB 3.41Å; F382-P617 HydrophobicContact CE1-CB 4.26Å
618A90Very high92.7Very high24 Ų2466.6 Ų66.620%0.19833%0.327CS..PPolyproline II helixtrans-72.1132.7172.200000111T381 P383 Y435T381-A618 PolarHBondContact O-N 2.78Å; P383-A618 HydrophobicContact CG-CB 3.69Å; Y435-A618 HydrophobicContact CD1-CB 4.04Å
619K89.2Confident92.5Very high134 Ų13468.7 Ų68.758%0.58333%0.329SS*.PPolyproline II helixtrans-76.6142.4174.2-68.6-167.4177.9-107.20111.4E329E329-K619 VanDerWaalsContact OE1-CE 3.24Å; E329-K619 WeakPolarHBondContact OE1-CE 3.27Å; E329-K619 IonicContact OE1-NZ 2.78Å; E329-K619 PolarHBondContact OE1-NZ 3.04Å
620K92.4Very high92.2Very high42 Ų4269.9 Ų69.918%0.18334%0.339CS..PPolyproline II helixtrans-66.9129.9171.7-47.6-159.9175.378.80109.6E374 A377 D378 F431 C433 Y435E374-K620 HydrophobicContact CG-CD 4.16Å; E374-K620 WeakPolarHBondContact O-CE 3.38Å; E374-K620 IonicContact OE1-NZ 2.71Å; A377-K620 HydrophobicContact CB-CD 4.23Å; D378-K620 VanDerWaalsContact OD1-CE 3.3Å; D378-K620 WeakPolarHBondContact OD1-CE 3.23Å; D378-K620 IonicContact OD1-NZ 3.19Å; D378-K620 PolarHBondContact OD1-NZ 2.81Å; D378-K620 IonicContact OD2-NZ 2.61Å; D378-K620 PolarHBondContact OD2-NZ 3.22Å; F431-K620 HydrophobicContact CE1-CD 4.23Å; F431-K620 HydrophobicContact CZ-CD 4.05Å; C433-K620 HydrophobicContact CB-CB 4.28Å; Y435-K620 HydrophobicContact CE1-CB 4.32Å; Y435-K620 HydrophobicContact CE1-CG 3.95Å; Y435-K620 WeakPolarHBondContact OH-CG 3.36Å
621I94.1Very high92Very high71 Ų7170.3 Ų70.336%0.36434%0.341SS..BIsolated β-bridgetrans-98.5105.4170.5-55.2173.9000107.7C433 K434 K436C433-I621 CarbonylContact C-O 3.55Å; C433-I621 WeakPolarHBondContact CA-O 3.46Å; K434-I621 HydrophobicContact CB-CB 4.24Å; K434-I621 PolarHBondContact N-O 3.42Å; K434-I621 WeakPolarHBondContact O-CB 3.4Å; K434-I621 PolarHBondContact O-N 3.15Å; K436-I621 HydrophobicContact CD-CD1 3.83Å; K436-I621 HydrophobicContact CG-CD1 3.76Å
622C94.3Very high92Very high30 Ų3070.4 Ų70.420%0.20334%0.341CS..  trans-106.2160.9176.5-58.50000110.3
623Q94.9Very high92.3Very high95 Ų9570.5 Ų70.544%0.44434%0.341SS..  trans-75.2148.5165.5-171.5173.14.300109.6E627 Q628Q623-E627 HydrophobicContact CG-CB 3.94Å; Q623-E627 VanDerWaalsContact NE2-CB 3.33Å; Q623-E627 PolarHBondContact NE2-OE2 2.92Å; Q623-Q628 HydrophobicContact CB-CG 4.25Å; Q623-Q628 PolarHBondContact O-NE2 2.9Å
624P95.7Very high92.7Very high56 Ų5665.1 Ų65.136%0.36432%0.321SS..  trans-52.5141.2177.8-29.837.2000113.6D323 L626 E627 Q628D323-P624 WeakPolarHBondContact OD1-CA 3.19Å; D323-P624 WeakPolarHBondContact OD2-CA 3.38Å; P624-L626 PolarHBondContact O-N 2.95Å; P624-L626 VanDerWaalsContact O-N 3.09Å; P624-E627 HydrophobicContact CB-CG 4.28Å; P624-E627 PolarHBondContact O-N 2.9Å; P624-Q628 PolarHBondContact O-N 3.01Å; P624-Q628 VanDerWaalsContact O-N 3.11Å
625V94.5Very high92.9Very high0 Ų059.4 Ų59.40%030%0.3CS..THydrogen-bonded Turntrans-56.9-33.3-167.7174.10000113.2F322 D323 Y326 R634 R635 R638F322-V625 HydrophobicContact CB-CB 3.81Å; F322-V625 HydrophobicContact CB-CG1 3.75Å; F322-V625 HydrophobicContact CB-CG2 4.25Å; F322-V625 HydrophobicContact CG-CG1 4.38Å; D323-V625 PolarHBondContact OD1-N 3.36Å; D323-V625 PolarHBondContact OD2-N 3Å; Y326-V625 HydrophobicContact CD2-CG2 4.18Å; Y326-V625 HydrophobicContact CE2-CG2 3.91Å; V625-R634 HydrophobicContact CG2-CB 4Å; V625-R635 HydrophobicContact CG1-CB 4.45Å; V625-R635 WeakPolarHBondContact O-CB 3.45Å; V625-R638 HydrophobicContact CG1-CB 4.03Å
626L91.7Very high93.1Very high102 Ų10256.8 Ų56.853%0.53429%0.286SS..THydrogen-bonded Turntrans-82-18.8179.5-66176.8000114F322 P624 R635F322-L626 HydrophobicContact CD2-CD1 4.18Å; F322-L626 HydrophobicContact CD2-CD2 3.77Å; F322-L626 HydrophobicContact CD2-CG 4Å; F322-L626 HydrophobicContact CE2-CD2 3.91Å; P624-L626 PolarHBondContact O-N 2.95Å; P624-L626 VanDerWaalsContact O-N 3.09Å; L626-R635 PolarHBondContact O-NH1 3.02Å
627E93.9Very high93.4Very high129 Ų12949.5 Ų49.560%0.60325%0.247SC*.THydrogen-bonded Turntrans-91.6-24.4176.4-59.8-176-177.800113.2Q623 P624Q623-E627 HydrophobicContact CG-CB 3.94Å; Q623-E627 VanDerWaalsContact NE2-CB 3.33Å; Q623-E627 PolarHBondContact NE2-OE2 2.92Å; P624-E627 HydrophobicContact CB-CG 4.28Å; P624-E627 PolarHBondContact O-N 2.9Å
628Q94.1Very high93.7Very high4 Ų448.6 Ų48.62%0.01924%0.237CC..SBendtrans-52153.8172.5-74.8174.126.800112.1Q623 P624 E632 R635Q623-Q628 HydrophobicContact CB-CG 4.25Å; Q623-Q628 PolarHBondContact O-NE2 2.9Å; P624-Q628 PolarHBondContact O-N 3.01Å; P624-Q628 VanDerWaalsContact O-N 3.11Å; Q628-E632 HydrophobicContact CB-CB 4.03Å; Q628-E632 HydrophobicContact CG-CB 4.42Å; Q628-R635 HydrophobicContact CB-CB 4.15Å; Q628-R635 WeakPolarHBondContact O-CD 3.45Å; Q628-R635 PolarHBondContact O-NH1 3.32Å
629K92.6Very high93.9Very high131 Ų13147.7 Ų47.757%0.5723%0.229SC*.  trans-64154.9175.7-61.6166-172.4164.70111.2N631 E632 R635K629-N631 WeakPolarHBondContact CB-OD1 3.21Å; K629-N631 PolarHBondContact O-N 3.43Å; K629-E632 HydrophobicContact CB-CG 4.19Å; K629-E632 WeakPolarHBondContact CB-OE1 3.36Å; K629-E632 WeakPolarHBondContact CG-OE1 3.49Å; K629-E632 PolarHBondContact N-OE1 3.19Å; K629-E632 PolarHBondContact O-N 3.31Å; K629-R635 WeakPolarHBondContact O-CD 3.49Å
630S91.6Very high94Very high31 Ų3141.5 Ų41.522%0.21720%0.202CC..THydrogen-bonded Turntrans-55.5-18.3176.750.20000114.6L636S630-L636 WeakPolarHBondContact O-CD2 3.46Å
631N93.2Very high94.1Very high19 Ų1939.5 Ų39.510%0.10219%0.193CC..THydrogen-bonded Turntrans-101.76.917984.5-58.1000115F305 G428 E429 T430 K629F305-N631 HydrophobicContact CB-CB 3.82Å; F305-N631 VanDerWaalsContact CD1-CA 3.42Å; F305-N631 HydrophobicContact CD1-CB 3.22Å; F305-N631 HydrophobicContact CD2-CB 3.67Å; F305-N631 VanDerWaalsContact CE1-CA 3.44Å; F305-N631 HydrophobicContact CE1-CB 3.6Å; F305-N631 HydrophobicContact CE2-CB 3.99Å; F305-N631 HydrophobicContact CG-CB 3.26Å; F305-N631 HydrophobicContact CZ-CB 3.94Å; G428-N631 PolarHBondContact O-ND2 3.12Å; E429-N631 CarbonylContact C-O 3.44Å; E429-N631 WeakPolarHBondContact CA-O 3.37Å; T430-N631 VanDerWaalsContact CG2-ND2 3.29Å; T430-N631 WeakPolarHBondContact CG2-ND2 3.5Å; T430-N631 PolarHBondContact N-O 3.47Å; T430-N631 PolarHBondContact OG1-ND2 2.92Å; T430-N631 PolarHBondContact OG1-O 2.65Å; K629-N631 WeakPolarHBondContact CB-OD1 3.21Å; K629-N631 PolarHBondContact O-N 3.43Å
632E95.7Very high94Very high13 Ų1336.1 Ų36.16%0.06118%0.176CC..BIsolated β-bridgetrans-89137.4-179.3-73-179.2-100.300113.1T430 Q628 K629 R634 R635 L636T430-E632 CarbonylContact O-C 3.53Å; T430-E632 VanDerWaalsContact O-CA 3.24Å; T430-E632 WeakPolarHBondContact O-CA 3.48Å; Q628-E632 HydrophobicContact CB-CB 4.03Å; Q628-E632 HydrophobicContact CG-CB 4.42Å; K629-E632 HydrophobicContact CB-CG 4.19Å; K629-E632 WeakPolarHBondContact CB-OE1 3.36Å; K629-E632 WeakPolarHBondContact CG-OE1 3.49Å; K629-E632 PolarHBondContact N-OE1 3.19Å; K629-E632 PolarHBondContact O-N 3.31Å; E632-R634 PolarHBondContact O-N 3.2Å; E632-R635 PolarHBondContact O-N 3.5Å; E632-L636 PolarHBondContact O-N 3.05Å
633S96.8Very high93.8Very high2 Ų234.7 Ų34.71%0.01417%0.167CC..Hα-helixtrans-50.2-47.6-169.7-63.90000113.9S371 E429 T430 R635 L636 W637S371-S633 VanDerWaalsContact OG-CB 3.22Å; S371-S633 WeakPolarHBondContact OG-CB 3.24Å; S371-S633 PolarHBondContact OG-OG 2.65Å; E429-S633 WeakPolarHBondContact OE1-CB 3.46Å; E429-S633 PolarHBondContact OE1-OG 2.93Å; T430-S633 PolarHBondContact O-N 3.43Å; T430-S633 PolarHBondContact O-OG 2.93Å; S633-R635 PolarHBondContact O-N 2.94Å; S633-L636 PolarHBondContact O-N 2.98Å; S633-W637 WeakPolarHBondContact O-CB 3.2Å; S633-W637 VanDerWaalsContact O-CD1 3.22Å; S633-W637 PolarHBondContact O-N 3.48Å
634R96.1Very high93.5Very high30 Ų3031 Ų3111%0.11315%0.15CC..Hα-helixtrans-69.9-33.5-176.5-64.7-171.3172.8-165.3-4.9112.1Y326 E374 F431 V625 E632 R638Y326-R634 HydrophobicContact CD1-CG 4.15Å; Y326-R634 HydrophobicContact CE1-CB 4.2Å; Y326-R634 HydrophobicContact CE1-CG 3.65Å; Y326-R634 HydrophobicContact CE2-CB 4.02Å; Y326-R634 HydrophobicContact CE2-CG 4.21Å; Y326-R634 WeakPolarHBondContact OH-CA 3.46Å; Y326-R634 PolarHBondContact OH-O 3.03Å; Y326-R634 VanDerWaalsContact OH-O 3.14Å; E374-R634 IonicContact OE1-CZ 3.8Å; E374-R634 IonicContact OE1-NE 3.51Å; E374-R634 PolarHBondContact OE1-NE 3.15Å; E374-R634 IonicContact OE1-NH2 3.85Å; E374-R634 PolarHBondContact OE1-NH2 3.43Å; E374-R634 WeakPolarHBondContact OE2-CG 3.31Å; E374-R634 IonicContact OE2-CZ 2.7Å; E374-R634 IonicContact OE2-NE 3.73Å; E374-R634 PolarHBondContact OE2-NE 3.15Å; E374-R634 IonicContact OE2-NH2 3.92Å; F431-R634 HydrophobicContact CE2-CG 4.25Å; V625-R634 HydrophobicContact CG2-CB 4Å; E632-R634 PolarHBondContact O-N 3.2Å; R634-R638 WeakPolarHBondContact O-CA 3.47Å; R634-R638 VanDerWaalsContact O-CB 3.26Å; R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 PolarHBondContact O-N 2.82Å; R634-R638 VanDerWaalsContact O-N 3.16Å
635R94.3Very high93.2Very high73 Ų7331.7 Ų31.728%0.27515%0.147SC..Hα-helixtrans-68.6-40.2172.9-175.5168.6176.4142.211112.7V625 L626 Q628 K629 E632 S633 R638V625-R635 HydrophobicContact CG1-CB 4.45Å; V625-R635 WeakPolarHBondContact O-CB 3.45Å; L626-R635 PolarHBondContact O-NH1 3.02Å; Q628-R635 HydrophobicContact CB-CB 4.15Å; Q628-R635 WeakPolarHBondContact O-CD 3.45Å; Q628-R635 PolarHBondContact O-NH1 3.32Å; K629-R635 WeakPolarHBondContact O-CD 3.49Å; E632-R635 PolarHBondContact O-N 3.5Å; S633-R635 PolarHBondContact O-N 2.94Å; R635-R638 VanDerWaalsContact O-CD 3.27Å; R635-R638 WeakPolarHBondContact O-CD 3.37Å; R635-R638 VanDerWaalsContact O-CG 3.3Å; R635-R638 WeakPolarHBondContact O-CG 3.11Å; R635-R638 PolarHBondContact O-NH1 3.49Å
636L94.3Very high92.9Very high3 Ų335.8 Ų35.82%0.01617%0.166CC..Hα-helixtrans-68.2-52.2178.6-77.5164.3000112.4F305 V308 V309 I426 E429 S630 E632 S633 R638 L659F305-L636 HydrophobicContact CE1-CD1 3.74Å; F305-L636 HydrophobicContact CE1-CD2 3.76Å; F305-L636 HydrophobicContact CE1-CG 4.26Å; F305-L636 HydrophobicContact CZ-CD1 3.76Å; F305-L636 HydrophobicContact CZ-CD2 4.38Å; V308-L636 HydrophobicContact CB-CD2 4.09Å; V308-L636 HydrophobicContact CG1-CD2 3.64Å; V309-L636 HydrophobicContact CG1-CD2 3.97Å; I426-L636 HydrophobicContact CD1-CD1 4.24Å; I426-L636 HydrophobicContact CD1-CD2 4.22Å; I426-L636 HydrophobicContact CG1-CD1 4.38Å; E429-L636 HydrophobicContact CB-CD1 4.25Å; E429-L636 HydrophobicContact CG-CD1 3.84Å; S630-L636 WeakPolarHBondContact O-CD2 3.46Å; E632-L636 PolarHBondContact O-N 3.05Å; S633-L636 PolarHBondContact O-N 2.98Å; L636-R638 PolarHBondContact O-N 3.46Å; L636-L659 HydrophobicContact CB-CD1 4.48Å; L636-L659 HydrophobicContact CD2-CD1 3.94Å
637W94.6Very high92.5Very high1 Ų136.5 Ų36.50%0.00417%0.165CC..Hα-helixtrans-83.22.4-175.3-63.999.2000113.3Y423 N424 I426 E429 S633 H639 V640 T641 K656 L659Y423-W637 HydrophobicContact CD1-CD2 4.42Å; Y423-W637 AromaticContact CD1-CE3 3.98Å; Y423-W637 HydrophobicContact CD1-CE3 3.98Å; Y423-W637 HydrophobicContact CD1-CZ3 4.31Å; Y423-W637 HydrophobicContact CD2-CB 3.51Å; Y423-W637 AromaticContact CD2-CD1 3.83Å; Y423-W637 AromaticContact CD2-CD2 3.44Å; Y423-W637 HydrophobicContact CD2-CD2 3.44Å; Y423-W637 VanDerWaalsContact CD2-CD2 3.44Å; Y423-W637 AromaticContact CD2-CE3 3.79Å; Y423-W637 HydrophobicContact CD2-CE3 3.79Å; Y423-W637 AromaticContact CD2-CG 3.29Å; Y423-W637 HydrophobicContact CD2-CG 3.29Å; Y423-W637 HydrophobicContact CE1-CE3 4.45Å; Y423-W637 HydrophobicContact CE2-CB 3.4Å; Y423-W637 HydrophobicContact CE2-CD2 4.14Å; Y423-W637 HydrophobicContact CE2-CE3 4.29Å; Y423-W637 AromaticContact CE2-CG 3.77Å; Y423-W637 HydrophobicContact CE2-CG 3.77Å; Y423-W637 HydrophobicContact CG-CB 4.49Å; Y423-W637 AromaticContact CG-CD2 3.6Å; Y423-W637 HydrophobicContact CG-CD2 3.6Å; Y423-W637 AromaticContact CG-CE3 3.61Å; Y423-W637 HydrophobicContact CG-CE3 3.61Å; Y423-W637 AromaticContact CG-CG 3.99Å; Y423-W637 HydrophobicContact CG-CG 3.99Å; Y423-W637 HydrophobicContact CG-CZ3 4.11Å; N424-W637 VanDerWaalsContact O-CZ2 3.31Å; N424-W637 WeakPolarHBondContact O-CZ2 3.48Å; I426-W637 HydrophobicContact CG2-CZ2 4.04Å; E429-W637 VanDerWaalsContact CD-NE1 3.32Å; E429-W637 PolarHBondContact OE1-NE1 3.34Å; E429-W637 PolarHBondContact OE2-NE1 3.49Å; S633-W637 WeakPolarHBondContact O-CB 3.2Å; S633-W637 VanDerWaalsContact O-CD1 3.22Å; S633-W637 PolarHBondContact O-N 3.48Å; W637-H639 VanDerWaalsContact C-N 3.34Å; W637-H639 PolarHBondContact O-N 3.5Å; W637-V640 HydrophobicContact CE3-CB 4.21Å; W637-V640 HydrophobicContact CE3-CG1 4.46Å; W637-V640 HydrophobicContact CE3-CG2 3.92Å; W637-V640 HydrophobicContact CZ3-CG2 4.34Å; W637-V640 WeakPolarHBondContact O-CA 3.42Å; W637-V640 WeakPolarHBondContact O-CB 3.37Å; W637-V640 PolarHBondContact O-N 3.31Å; W637-T641 PolarHBondContact O-N 3.26Å; W637-T641 PolarHBondContact O-OG1 3Å; W637-K656 HydrophobicContact CZ3-CG 4.22Å; W637-L659 HydrophobicContact CD2-CD2 3.71Å; W637-L659 HydrophobicContact CE3-CD2 3.75Å; W637-L659 HydrophobicContact CG-CD2 4.46Å; W637-L659 HydrophobicContact CH2-CD2 3.69Å; W637-L659 HydrophobicContact CZ2-CD2 3.65Å; W637-L659 HydrophobicContact CZ3-CD2 3.74Å
638R94.2Very high92.2Very high30 Ų3033.4 Ų33.411%0.11315%0.153CC..Hα-helixtrans-49.1-47.5-172.874.7-171.7-175.6-73.9-3.6113.8E312 F322 V625 R634 R635 L636 T641 V642E312-R638 VanDerWaalsContact CD-NH2 3.27Å; E312-R638 IonicContact OE1-CZ 3.09Å; E312-R638 IonicContact OE1-NH1 3.04Å; E312-R638 PolarHBondContact OE1-NH1 2.84Å; E312-R638 IonicContact OE1-NH2 3.32Å; E312-R638 IonicContact OE2-CZ 3.75Å; E312-R638 IonicContact OE2-NH1 2.88Å; E312-R638 PolarHBondContact OE2-NH1 3.31Å; E312-R638 IonicContact OE2-NH2 3.43Å; E312-R638 PolarHBondContact OE2-NH2 3.49Å; F322-R638 HydrophobicContact CD1-CB 3.65Å; F322-R638 HydrophobicContact CD1-CG 3.88Å; F322-R638 HydrophobicContact CE1-CB 3.97Å; F322-R638 HydrophobicContact CE1-CG 3.67Å; F322-R638 HydrophobicContact CG-CB 4.36Å; F322-R638 HydrophobicContact CZ-CG 4.29Å; V625-R638 HydrophobicContact CG1-CB 4.03Å; R634-R638 WeakPolarHBondContact O-CA 3.47Å; R634-R638 VanDerWaalsContact O-CB 3.26Å; R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 PolarHBondContact O-N 2.82Å; R634-R638 VanDerWaalsContact O-N 3.16Å; R635-R638 VanDerWaalsContact O-CD 3.27Å; R635-R638 WeakPolarHBondContact O-CD 3.37Å; R635-R638 VanDerWaalsContact O-CG 3.3Å; R635-R638 WeakPolarHBondContact O-CG 3.11Å; R635-R638 PolarHBondContact O-NH1 3.49Å; L636-R638 PolarHBondContact O-N 3.46Å; R638-T641 PolarHBondContact O-N 2.61Å; R638-V642 WeakPolarHBondContact O-CB 3.47Å; R638-V642 VanDerWaalsContact O-CG2 3.29Å; R638-V642 WeakPolarHBondContact O-CG2 3.35Å; R638-V642 PolarHBondContact O-N 3.48Å
639H93.3Very high91.7Very high5 Ų534.6 Ų34.62%0.02316%0.16CC..Hα-helixtrans-72.9-30.2-177.6-68.5-64.5000112.8E312 D314 F315 F322 W637 A643 C655E312-H639 IonicContact OE1-CD2 3.8Å; E312-H639 PolarHBondContact OE1-CD2 2.66Å; D314-H639 IonicContact OD1-CE1 2.69Å; F315-H639 HydrophobicContact CB-CB 4.04Å; F315-H639 HydrophobicContact CD2-CB 4.06Å; F315-H639 AromaticContact CD2-CD2 3.9Å; F315-H639 AromaticContact CD2-CG 3.9Å; F315-H639 HydrophobicContact CG-CB 4.43Å; F322-H639 AromaticContact CE1-ND1 3.96Å; F322-H639 AromaticContact CZ-CE1 3.8Å; W637-H639 VanDerWaalsContact C-N 3.34Å; W637-H639 PolarHBondContact O-N 3.5Å; H639-A643 VanDerWaalsContact O-CB 3.3Å; H639-A643 WeakPolarHBondContact O-CB 3.44Å; H639-A643 PolarHBondContact O-N 3.41Å; H639-A643 VanDerWaalsContact O-N 3.09Å; H639-C655 HydrophobicContact CB-CB 4.16Å
640V92.6Very high91.3Very high4 Ų434.4 Ų34.42%0.02416%0.161CC..Hα-helixtrans-68.8-47171.4-176.20000109.9Y423 W637 V642 A643 L644 C655 K656Y423-V640 HydrophobicContact CE1-CG1 3.75Å; W637-V640 HydrophobicContact CE3-CB 4.21Å; W637-V640 HydrophobicContact CE3-CG1 4.46Å; W637-V640 HydrophobicContact CE3-CG2 3.92Å; W637-V640 HydrophobicContact CZ3-CG2 4.34Å; W637-V640 WeakPolarHBondContact O-CA 3.42Å; W637-V640 WeakPolarHBondContact O-CB 3.37Å; W637-V640 PolarHBondContact O-N 3.31Å; V640-V642 PolarHBondContact O-N 3.4Å; V640-A643 PolarHBondContact O-N 3.31Å; V640-L644 HydrophobicContact CG1-CD1 4.07Å; V640-L644 HydrophobicContact CG1-CG 4.45Å; V640-L644 WeakPolarHBondContact O-CB 3.5Å; V640-L644 WeakPolarHBondContact O-CG 2.93Å; V640-L644 PolarHBondContact O-N 3.08Å; V640-C655 HydrophobicContact CG2-CB 3.69Å; V640-K656 HydrophobicContact CG2-CB 4.05Å
641T93.3Very high91.2Very high0 Ų035.1 Ų35.10%016%0.16CC..Hα-helixtrans-60.9-43.3178.1-620000112.4A325 Y326 R369 Y423 W637 R638 L644 K645A325-T641 HydrophobicContact CB-CG2 3.91Å; Y326-T641 HydrophobicContact CD1-CG2 4.26Å; Y326-T641 HydrophobicContact CE1-CG2 3.74Å; Y326-T641 HydrophobicContact CE2-CG2 4.01Å; Y326-T641 PolarHBondContact OH-OG1 3.39Å; R369-T641 HydrophobicContact CB-CG2 3.8Å; R369-T641 HydrophobicContact CG-CG2 4.14Å; Y423-T641 VanDerWaalsContact OH-CA 3.28Å; Y423-T641 WeakPolarHBondContact OH-CA 3.26Å; Y423-T641 PolarHBondContact OH-N 2.99Å; Y423-T641 PolarHBondContact OH-OG1 2.93Å; W637-T641 PolarHBondContact O-N 3.26Å; W637-T641 PolarHBondContact O-OG1 3Å; R638-T641 PolarHBondContact O-N 2.61Å; T641-L644 PolarHBondContact O-N 2.63Å; T641-K645 WeakPolarHBondContact O-CB 3.44Å; T641-K645 PolarHBondContact O-N 3.45Å
642V92.3Very high91Very high1 Ų134.2 Ų34.21%0.00616%0.155CC..Hα-helixtrans-62.5-48.9174.5168.20000110.9Y320 F322 A325 R638 V640 L644 K645 E646Y320-V642 HydrophobicContact CD1-CG2 3.86Å; Y320-V642 HydrophobicContact CD2-CG1 4.35Å; Y320-V642 HydrophobicContact CE1-CB 4.35Å; Y320-V642 HydrophobicContact CE1-CG1 4.08Å; Y320-V642 HydrophobicContact CE1-CG2 3.31Å; Y320-V642 HydrophobicContact CE2-CG1 3.78Å; F322-V642 HydrophobicContact CD1-CG2 3.78Å; F322-V642 HydrophobicContact CE1-CG2 4.08Å; A325-V642 HydrophobicContact CB-CG2 4Å; R638-V642 WeakPolarHBondContact O-CB 3.47Å; R638-V642 VanDerWaalsContact O-CG2 3.29Å; R638-V642 WeakPolarHBondContact O-CG2 3.35Å; R638-V642 PolarHBondContact O-N 3.48Å; V640-V642 PolarHBondContact O-N 3.4Å; V642-L644 VanDerWaalsContact C-N 3.32Å; V642-L644 PolarHBondContact O-N 2.87Å; V642-K645 PolarHBondContact O-N 2.82Å; V642-K645 VanDerWaalsContact O-N 3.14Å; V642-E646 HydrophobicContact CG1-CG 4.35Å; V642-E646 WeakPolarHBondContact O-CB 3.25Å; V642-E646 WeakPolarHBondContact O-CG 3.46Å; V642-E646 PolarHBondContact O-N 3.31Å
643A91.1Very high90.6Very high0 Ų035.1 Ų35.10%016%0.162CC..Hα-helixtrans-62.5-37179.500000113.1H639 V640 E646 K647 D648 K651 A652H639-A643 VanDerWaalsContact O-CB 3.3Å; H639-A643 WeakPolarHBondContact O-CB 3.44Å; H639-A643 PolarHBondContact O-N 3.41Å; H639-A643 VanDerWaalsContact O-N 3.09Å; V640-A643 PolarHBondContact O-N 3.31Å; A643-E646 CarbonylContact O-C 3.34Å; A643-E646 PolarHBondContact O-N 2.93Å; A643-K647 PolarHBondContact O-N 3.28Å; A643-K647 VanDerWaalsContact O-N 3.11Å; A643-D648 PolarHBondContact O-N 3.03Å; A643-K651 HydrophobicContact CB-CB 3.96Å; A643-K651 HydrophobicContact CB-CD 3.76Å; A643-K651 HydrophobicContact CB-CG 3.68Å; A643-A652 HydrophobicContact CB-CB 3.79Å
644L88.7Confident90.2Very high17 Ų1739.8 Ų39.89%0.08918%0.182CC..Hα-helixtrans-68.2-39.5173-70.1175.4000112.2T364 L367 R369 Y423 V640 T641 V642 E646 K647 A652T364-L644 WeakPolarHBondContact O-CD2 3.46Å; L367-L644 HydrophobicContact CB-CD1 3.94Å; R369-L644 HydrophobicContact CG-CB 4.17Å; Y423-L644 HydrophobicContact CE1-CD1 3.94Å; V640-L644 HydrophobicContact CG1-CD1 4.07Å; V640-L644 HydrophobicContact CG1-CG 4.45Å; V640-L644 WeakPolarHBondContact O-CB 3.5Å; V640-L644 WeakPolarHBondContact O-CG 2.93Å; V640-L644 PolarHBondContact O-N 3.08Å; T641-L644 PolarHBondContact O-N 2.63Å; V642-L644 VanDerWaalsContact C-N 3.32Å; V642-L644 PolarHBondContact O-N 2.87Å; L644-E646 VanDerWaalsContact C-N 3.3Å; L644-E646 PolarHBondContact O-N 3.25Å; L644-K647 WeakPolarHBondContact O-CA 3.42Å; L644-K647 PolarHBondContact O-N 3.22Å; L644-A652 HydrophobicContact CD2-CB 3.75Å; L644-A652 HydrophobicContact CG-CB 3.93Å
645K87.8Confident90Very high71 Ų7138.5 Ų38.531%0.30918%0.178SC..Hα-helixtrans-64.4-35.2173.1179170.8171.5165.60112.2S324 A325 D328 T641 V642 K647S324-K645 PolarHBondContact O-NZ 2.8Å; A325-K645 HydrophobicContact CB-CD 4.38Å; D328-K645 WeakPolarHBondContact OD2-CE 3.41Å; D328-K645 IonicContact OD2-NZ 3.48Å; D328-K645 PolarHBondContact OD2-NZ 3.08Å; T641-K645 WeakPolarHBondContact O-CB 3.44Å; T641-K645 PolarHBondContact O-N 3.45Å; V642-K645 PolarHBondContact O-N 2.82Å; V642-K645 VanDerWaalsContact O-N 3.14Å; K645-K647 PolarHBondContact O-N 3.31Å
646E88.1Confident89.9Confident85 Ų8535.8 Ų35.840%0.39717%0.168SC..THydrogen-bonded Turntrans-76.1-4.1172.9-68.3171.6152.800113.3V642 A643 L644 D648 K651V642-E646 HydrophobicContact CG1-CG 4.35Å; V642-E646 WeakPolarHBondContact O-CB 3.25Å; V642-E646 WeakPolarHBondContact O-CG 3.46Å; V642-E646 PolarHBondContact O-N 3.31Å; A643-E646 CarbonylContact O-C 3.34Å; A643-E646 PolarHBondContact O-N 2.93Å; L644-E646 VanDerWaalsContact C-N 3.3Å; L644-E646 PolarHBondContact O-N 3.25Å; E646-D648 PolarHBondContact O-N 3.25Å; E646-K651 IonicContact OE1-NZ 3.95Å; E646-K651 IonicContact OE2-NZ 2.69Å; E646-K651 PolarHBondContact OE2-NZ 3.09Å
647K84.5Confident89.6Confident117 Ų11737.3 Ų37.351%0.50917%0.174SC..THydrogen-bonded Turntrans58.323.3-175-55-173.1179.7178.90114E333 A643 L644 K645 V649E333-K647 IonicContact OE2-NZ 2.84Å; E333-K647 PolarHBondContact OE2-NZ 2.69Å; A643-K647 PolarHBondContact O-N 3.28Å; A643-K647 VanDerWaalsContact O-N 3.11Å; L644-K647 WeakPolarHBondContact O-CA 3.42Å; L644-K647 PolarHBondContact O-N 3.22Å; K645-K647 PolarHBondContact O-N 3.31Å; K647-V649 PolarHBondContact O-N 3.16Å
648D87Confident89.3Confident65 Ų6537.8 Ų37.835%0.34818%0.176SC..  trans-89.987.2174.4-172.6-17000111A643 E646 H650 K651 A652A643-D648 PolarHBondContact O-N 3.03Å; E646-D648 PolarHBondContact O-N 3.25Å; D648-H650 VanDerWaalsContact C-N 3.26Å; D648-H650 PolarHBondContact O-N 2.84Å; D648-H650 PolarHBondContact OD1-N 3.14Å; D648-H650 VanDerWaalsContact OD1-N 3.13Å; D648-K651 HydrophobicContact CB-CB 3.9Å; D648-K651 HydrophobicContact CB-CD 4.32Å; D648-K651 PolarHBondContact O-N 2.78Å; D648-K651 WeakPolarHBondContact OD1-CB 3.45Å; D648-K651 PolarHBondContact OD1-N 3.3Å; D648-K651 WeakPolarHBondContact OD2-CB 3.22Å; D648-A652 WeakPolarHBondContact O-CB 3.36Å; D648-A652 PolarHBondContact O-N 3.03Å
649V83.1Confident89.1Confident28 Ų2836.5 Ų36.517%0.1717%0.171CC..Hα-helixtrans-60.7-32.5178.8-179.40000112.2T364 Y365 K647 T653T364-V649 WeakPolarHBondContact OG1-CG1 3.27Å; T364-V649 PolarHBondContact OG1-O 3.5Å; Y365-V649 HydrophobicContact CD1-CG1 3.98Å; K647-V649 PolarHBondContact O-N 3.16Å; V649-T653 WeakPolarHBondContact O-CB 3.32Å; V649-T653 PolarHBondContact O-N 2.79Å; V649-T653 PolarHBondContact O-OG1 2.97Å
650H84.2Confident88.8Confident128 Ų12837.6 Ų37.659%0.59318%0.176SC*.Hα-helixtrans-72-47.4179.5-67.3-69.4000111.1D648 T653 K654D648-H650 VanDerWaalsContact C-N 3.26Å; D648-H650 PolarHBondContact O-N 2.84Å; D648-H650 PolarHBondContact OD1-N 3.14Å; D648-H650 VanDerWaalsContact OD1-N 3.13Å; H650-T653 PolarHBondContact O-N 3.22Å; H650-K654 PolarHBondContact O-N 2.93Å
651K89.5Confident88.5Confident45 Ų4539.2 Ų39.220%0.19618%0.184CC..Hα-helixtrans-62.5-43.8174.4-178.2-173.4178.8178.10111.6F315 A643 E646 D648 T653 K654 C655F315-K651 WeakPolarHBondContact O-CE 3.22Å; F315-K651 PolarHBondContact O-NZ 3.18Å; F315-K651 VanDerWaalsContact O-NZ 3.16Å; A643-K651 HydrophobicContact CB-CB 3.96Å; A643-K651 HydrophobicContact CB-CD 3.76Å; A643-K651 HydrophobicContact CB-CG 3.68Å; E646-K651 IonicContact OE1-NZ 3.95Å; E646-K651 IonicContact OE2-NZ 2.69Å; E646-K651 PolarHBondContact OE2-NZ 3.09Å; D648-K651 HydrophobicContact CB-CB 3.9Å; D648-K651 HydrophobicContact CB-CD 4.32Å; D648-K651 PolarHBondContact O-N 2.78Å; D648-K651 WeakPolarHBondContact OD1-CB 3.45Å; D648-K651 PolarHBondContact OD1-N 3.3Å; D648-K651 WeakPolarHBondContact OD2-CB 3.22Å; K651-T653 VanDerWaalsContact C-N 3.26Å; K651-T653 PolarHBondContact O-N 3.03Å; K651-K654 PolarHBondContact O-N 2.85Å; K651-C655 WeakPolarHBondContact O-CB 3.39Å; K651-C655 PolarHBondContact O-N 2.93Å; K651-C655 PolarHBondContact O-SG 3.27Å
652A89.6Confident88.3Confident0 Ų041.2 Ų41.20%019%0.191CC..Hα-helixtrans-57.7-41.417500000111.3T364 A643 L644 D648 K656T364-A652 HydrophobicContact CG2-CB 4.44Å; A643-A652 HydrophobicContact CB-CB 3.79Å; L644-A652 HydrophobicContact CD2-CB 3.75Å; L644-A652 HydrophobicContact CG-CB 3.93Å; D648-A652 WeakPolarHBondContact O-CB 3.36Å; D648-A652 PolarHBondContact O-N 3.03Å; A652-K656 VanDerWaalsContact O-CB 3.25Å; A652-K656 WeakPolarHBondContact O-CB 3.49Å; A652-K656 PolarHBondContact O-N 2.73Å
653T86.5Confident88.1Confident32 Ų3241.8 Ų41.820%0.19619%0.194CC..Hα-helixtrans-67.5-42.5176.2-53.40000112.3T364 V649 H650 K651 K656 F657T364-T653 WeakPolarHBondContact CG2-OG1 3.44Å; T364-T653 PolarHBondContact OG1-OG1 3.06Å; V649-T653 WeakPolarHBondContact O-CB 3.32Å; V649-T653 PolarHBondContact O-N 2.79Å; V649-T653 PolarHBondContact O-OG1 2.97Å; H650-T653 PolarHBondContact O-N 3.22Å; K651-T653 VanDerWaalsContact C-N 3.26Å; K651-T653 PolarHBondContact O-N 3.03Å; T653-K656 PolarHBondContact O-N 3.31Å; T653-F657 VanDerWaalsContact O-CB 3.27Å; T653-F657 WeakPolarHBondContact O-CB 3.43Å; T653-F657 PolarHBondContact O-N 3.43Å
654K90.1Very high87.7Confident100 Ų10043 Ų4344%0.43520%0.198SC..Hα-helixtrans-61-45.6175.3-170.4180-177.7-178.70111.5F315 H650 K651 W658F315-K654 HydrophobicContact CE1-CD 4.19Å; F315-K654 HydrophobicContact CE1-CG 4.17Å; H650-K654 PolarHBondContact O-N 2.93Å; K651-K654 PolarHBondContact O-N 2.85Å; K654-W658 WeakPolarHBondContact O-CB 3.31Å; K654-W658 PolarHBondContact O-N 3.01Å; K654-W658 VanDerWaalsContact O-N 3.1Å
655C91.2Very high87.6Confident4 Ų443.5 Ų43.53%0.02720%0.201CC..Hα-helixtrans-65.3-47179.1-60.70000111.6F315 H639 V640 K651 W658 L659F315-C655 WeakPolarHBondContact CG-SG 3.48Å; H639-C655 HydrophobicContact CB-CB 4.16Å; V640-C655 HydrophobicContact CG2-CB 3.69Å; K651-C655 WeakPolarHBondContact O-CB 3.39Å; K651-C655 PolarHBondContact O-N 2.93Å; K651-C655 PolarHBondContact O-SG 3.27Å; C655-W658 PolarHBondContact O-N 3.25Å; C655-L659 PolarHBondContact O-N 3Å; C655-L659 VanDerWaalsContact O-N 3.12Å
656K91Very high87.5Confident16 Ų1640.4 Ų40.47%0.0719%0.189CC..Hα-helixtrans-60.5-49.8177.8173.3174.9-175.4-65.20111.6T364 L367 W637 V640 A652 T653 W658 L659 E660T364-K656 HydrophobicContact CG2-CB 4.45Å; T364-K656 HydrophobicContact CG2-CD 3.84Å; L367-K656 HydrophobicContact CD1-CD 4.09Å; W637-K656 HydrophobicContact CZ3-CG 4.22Å; V640-K656 HydrophobicContact CG2-CB 4.05Å; A652-K656 VanDerWaalsContact O-CB 3.25Å; A652-K656 WeakPolarHBondContact O-CB 3.49Å; A652-K656 PolarHBondContact O-N 2.73Å; T653-K656 PolarHBondContact O-N 3.31Å; K656-W658 VanDerWaalsContact C-N 3.27Å; K656-W658 PolarHBondContact O-N 3.2Å; K656-L659 PolarHBondContact O-N 3Å; K656-E660 VanDerWaalsContact CE-OE1 3.26Å; K656-E660 WeakPolarHBondContact CE-OE1 3.47Å; K656-E660 WeakPolarHBondContact CG-OE2 3.4Å; K656-E660 IonicContact NZ-OE1 2.68Å; K656-E660 PolarHBondContact NZ-OE1 2.93Å; K656-E660 IonicContact NZ-OE2 2.63Å; K656-E660 PolarHBondContact NZ-OE2 3.42Å; K656-E660 WeakPolarHBondContact O-CG 3.41Å; K656-E660 PolarHBondContact O-N 2.87Å
657F88.2Confident87.4Confident34 Ų3437.7 Ų37.715%0.14918%0.181CC..Hα-helixtrans-57.8-40.6178.4172.4-90.6000111.9T263 L284 T653 Q661T263-F657 HydrophobicContact CG2-CD2 4.34Å; T263-F657 HydrophobicContact CG2-CE2 4.33Å; L284-F657 HydrophobicContact CD2-CE1 4.25Å; T653-F657 VanDerWaalsContact O-CB 3.27Å; T653-F657 WeakPolarHBondContact O-CB 3.43Å; T653-F657 PolarHBondContact O-N 3.43Å; F657-Q661 HydrophobicContact CE1-CB 4.35Å; F657-Q661 VanDerWaalsContact O-CB 3.22Å; F657-Q661 WeakPolarHBondContact O-CB 3.35Å; F657-Q661 PolarHBondContact O-N 3.02Å
658W89.2Confident87.4Confident12 Ų1235.2 Ų35.25%0.04517%0.17CC..Hα-helixtrans-63.4-48.1178.8-176.694.5000112V308 E312 F315 K654 C655 K656 E660 Q661 R662V308-W658 WeakPolarHBondContact O-CH2 3.38Å; V308-W658 VanDerWaalsContact O-CZ3 3.22Å; V308-W658 WeakPolarHBondContact O-CZ3 3.22Å; E312-W658 VanDerWaalsContact CA-CZ2 3.47Å; E312-W658 HydrophobicContact CB-CH2 3.46Å; E312-W658 VanDerWaalsContact CB-CH2 3.46Å; E312-W658 HydrophobicContact CB-CZ2 3.99Å; E312-W658 HydrophobicContact CB-CZ3 4.09Å; E312-W658 HydrophobicContact CG-CE3 4.35Å; E312-W658 HydrophobicContact CG-CH2 3.54Å; E312-W658 HydrophobicContact CG-CZ2 4.16Å; E312-W658 HydrophobicContact CG-CZ3 3.65Å; F315-W658 HydrophobicContact CE2-CD2 4.43Å; F315-W658 HydrophobicContact CE2-CG 4.45Å; F315-W658 HydrophobicContact CZ-CB 4.18Å; F315-W658 HydrophobicContact CZ-CD2 4.48Å; F315-W658 HydrophobicContact CZ-CG 4.06Å; K654-W658 WeakPolarHBondContact O-CB 3.31Å; K654-W658 PolarHBondContact O-N 3.01Å; K654-W658 VanDerWaalsContact O-N 3.1Å; C655-W658 PolarHBondContact O-N 3.25Å; K656-W658 VanDerWaalsContact C-N 3.27Å; K656-W658 PolarHBondContact O-N 3.2Å; W658-E660 PolarHBondContact O-N 3.27Å; W658-Q661 WeakPolarHBondContact O-CB 3.03Å; W658-Q661 PolarHBondContact O-N 3.11Å; W658-R662 HydrophobicContact CD2-CG 4.37Å; W658-R662 HydrophobicContact CE3-CG 4.43Å; W658-R662 HydrophobicContact CH2-CG 4.08Å; W658-R662 HydrophobicContact CZ2-CG 4.02Å; W658-R662 HydrophobicContact CZ3-CG 4.29Å; W658-R662 PolarHBondContact O-N 3.3Å
659L90.1Very high87.3Confident3 Ų332.3 Ų32.32%0.01616%0.155CC..Hα-helixtrans-59.5-47.5177.8-166.479.5000111.2V308 I426 L636 W637 C655 K656 Q661 R662 Q663V308-L659 HydrophobicContact CG1-CD1 3.41Å; V308-L659 VanDerWaalsContact CG1-CD1 3.41Å; V308-L659 HydrophobicContact CG1-CG 4.23Å; I426-L659 HydrophobicContact CD1-CG 4.3Å; I426-L659 HydrophobicContact CG2-CD2 4.42Å; L636-L659 HydrophobicContact CB-CD1 4.48Å; L636-L659 HydrophobicContact CD2-CD1 3.94Å; W637-L659 HydrophobicContact CD2-CD2 3.71Å; W637-L659 HydrophobicContact CE3-CD2 3.75Å; W637-L659 HydrophobicContact CG-CD2 4.46Å; W637-L659 HydrophobicContact CH2-CD2 3.69Å; W637-L659 HydrophobicContact CZ2-CD2 3.65Å; W637-L659 HydrophobicContact CZ3-CD2 3.74Å; C655-L659 PolarHBondContact O-N 3Å; C655-L659 VanDerWaalsContact O-N 3.12Å; K656-L659 PolarHBondContact O-N 3Å; L659-Q661 PolarHBondContact O-N 3.44Å; L659-R662 PolarHBondContact O-N 2.89Å; L659-Q663 PolarHBondContact O-N 3.44Å; L659-Q663 VanDerWaalsContact O-N 3.13Å
660E87.1Confident87.5Confident27 Ų2732 Ų3213%0.12615%0.15CC..Hα-helixtrans-66.4-35177.6-69.4173.1146.300111.9K656 W658 Q663 R664K656-E660 VanDerWaalsContact CE-OE1 3.26Å; K656-E660 WeakPolarHBondContact CE-OE1 3.47Å; K656-E660 WeakPolarHBondContact CG-OE2 3.4Å; K656-E660 IonicContact NZ-OE1 2.68Å; K656-E660 PolarHBondContact NZ-OE1 2.93Å; K656-E660 IonicContact NZ-OE2 2.63Å; K656-E660 PolarHBondContact NZ-OE2 3.42Å; K656-E660 WeakPolarHBondContact O-CG 3.41Å; K656-E660 PolarHBondContact O-N 2.87Å; W658-E660 PolarHBondContact O-N 3.27Å; E660-Q663 PolarHBondContact O-N 2.74Å; E660-R664 WeakPolarHBondContact O-CB 3.37Å; E660-R664 WeakPolarHBondContact O-CG 3.41Å; E660-R664 PolarHBondContact O-N 2.97Å; E660-R664 PolarHBondContact O-NE 2.89Å
661Q86.4Confident87.6Confident39 Ų3929.5 Ų29.518%0.18215%0.152CC..Hα-helixtrans-62.3-44.7174.7-173.664.95900111.4F657 W658 L659 Q663 R664 D665F657-Q661 HydrophobicContact CE1-CB 4.35Å; F657-Q661 VanDerWaalsContact O-CB 3.22Å; F657-Q661 WeakPolarHBondContact O-CB 3.35Å; F657-Q661 PolarHBondContact O-N 3.02Å; W658-Q661 WeakPolarHBondContact O-CB 3.03Å; W658-Q661 PolarHBondContact O-N 3.11Å; L659-Q661 PolarHBondContact O-N 3.44Å; Q661-Q663 PolarHBondContact O-N 2.96Å; Q661-R664 PolarHBondContact O-N 3.32Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.24Å; Q661-D665 PolarHBondContact NE2-OD1 3.47Å; Q661-D665 PolarHBondContact NE2-OD2 3.09Å; Q661-D665 PolarHBondContact O-N 3.28Å
662R88.6Confident87.5Confident42 Ų4233 Ų3316%0.15817%0.173CC..Hα-helixtrans-63.2-40.6176.4-66.8-59.2-171.878.7-2.4112.4D310 N311 W658 L659 D665 A666D310-R662 PolarHBondContact O-NH1 2.68Å; N311-R662 PolarHBondContact O-NH2 2.87Å; N311-R662 VanDerWaalsContact O-NH2 3.13Å; W658-R662 HydrophobicContact CD2-CG 4.37Å; W658-R662 HydrophobicContact CE3-CG 4.43Å; W658-R662 HydrophobicContact CH2-CG 4.08Å; W658-R662 HydrophobicContact CZ2-CG 4.02Å; W658-R662 HydrophobicContact CZ3-CG 4.29Å; W658-R662 PolarHBondContact O-N 3.3Å; L659-R662 PolarHBondContact O-N 2.89Å; R662-D665 PolarHBondContact O-N 3.07Å; R662-A666 WeakPolarHBondContact O-CB 3.33Å; R662-A666 PolarHBondContact O-N 2.83Å
663Q87.7Confident87.3Confident13 Ų1335.6 Ų35.66%0.06118%0.184CC..Hα-helixtrans-60.3-46.2171.6-169.1-160-10.200111.8I426 H470 L659 E660 Q661 D665 A666 A667I426-Q663 HydrophobicContact CB-CB 4.4Å; I426-Q663 HydrophobicContact CB-CG 4.05Å; I426-Q663 HydrophobicContact CG2-CB 4.45Å; I426-Q663 HydrophobicContact CG2-CG 4.49Å; H470-Q663 PolarHBondContact CD2-NE2 2.69Å; H470-Q663 PolarHBondContact CE1-NE2 2.9Å; H470-Q663 VanDerWaalsContact CE1-NE2 3.26Å; H470-Q663 PolarHBondContact ND1-NE2 3.17Å; H470-Q663 PolarHBondContact NE2-NE2 3.2Å; L659-Q663 PolarHBondContact O-N 3.44Å; L659-Q663 VanDerWaalsContact O-N 3.13Å; E660-Q663 PolarHBondContact O-N 2.74Å; Q661-Q663 PolarHBondContact O-N 2.96Å; Q663-D665 PolarHBondContact O-N 3.07Å; Q663-A666 PolarHBondContact O-N 3.35Å; Q663-A667 WeakPolarHBondContact O-CB 3.38Å; Q663-A667 PolarHBondContact O-N 3.26Å
664R83.6Confident87.3Confident24 Ų2441.5 Ų41.59%0.09121%0.214CC..Hα-helixtrans-63.3-39.6-179.1-72.7-177.4-77.3116.44112.3F260 T263 E660 Q661 A667 K668F260-R664 HydrophobicContact CD1-CB 4.29Å; F260-R664 HydrophobicContact CD1-CG 3.66Å; F260-R664 HydrophobicContact CE1-CB 4Å; F260-R664 HydrophobicContact CE1-CG 3.53Å; F260-R664 HydrophobicContact CG-CG 4.45Å; F260-R664 HydrophobicContact CZ-CB 4.16Å; F260-R664 HydrophobicContact CZ-CG 4.21Å; T263-R664 PolarHBondContact OG1-NH1 3.07Å; T263-R664 VanDerWaalsContact OG1-NH1 3.12Å; E660-R664 WeakPolarHBondContact O-CB 3.37Å; E660-R664 WeakPolarHBondContact O-CG 3.41Å; E660-R664 PolarHBondContact O-N 2.97Å; E660-R664 PolarHBondContact O-NE 2.89Å; Q661-R664 PolarHBondContact O-N 3.32Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.24Å; R664-A667 PolarHBondContact O-N 3.36Å; R664-K668 WeakPolarHBondContact O-CG 3.5Å; R664-K668 PolarHBondContact O-N 2.97Å; R664-K668 VanDerWaalsContact O-N 3.15Å
665D86.2Confident87.1Confident28 Ų2838.9 Ų38.915%0.1520%0.204CC..Hα-helixtrans-75.9-37.7179.1-68.2-39.5000112.9P290 Q661 R662 Q663 A667 K668 I669P290-D665 HydrophobicContact CG-CB 4.25Å; Q661-D665 PolarHBondContact NE2-OD1 3.47Å; Q661-D665 PolarHBondContact NE2-OD2 3.09Å; Q661-D665 PolarHBondContact O-N 3.28Å; R662-D665 PolarHBondContact O-N 3.07Å; Q663-D665 PolarHBondContact O-N 3.07Å; D665-A667 VanDerWaalsContact C-N 3.3Å; D665-A667 PolarHBondContact O-N 3.19Å; D665-K668 WeakPolarHBondContact O-CB 3.27Å; D665-K668 PolarHBondContact O-N 3.18Å; D665-K668 WeakPolarHBondContact OD1-CE 3.4Å; D665-K668 IonicContact OD1-NZ 3.39Å; D665-K668 PolarHBondContact OD1-NZ 3.45Å; D665-I669 WeakPolarHBondContact O-CG1 3.46Å; D665-I669 PolarHBondContact O-N 3.21Å
666A85.6Confident86.9Confident7 Ų744.6 Ų44.66%0.05823%0.229CC..Hα-helixtrans-64.6-34170.600000112.7Y307 R662 Q663 I669 R670Y307-A666 HydrophobicContact CD2-CB 3.34Å; Y307-A666 HydrophobicContact CE1-CB 4.43Å; Y307-A666 HydrophobicContact CE2-CB 3.12Å; Y307-A666 HydrophobicContact CG-CB 4.1Å; R662-A666 WeakPolarHBondContact O-CB 3.33Å; R662-A666 PolarHBondContact O-N 2.83Å; Q663-A666 PolarHBondContact O-N 3.35Å; A666-I669 PolarHBondContact O-N 3.06Å; A666-R670 WeakPolarHBondContact O-CB 3.42Å; A666-R670 PolarHBondContact O-N 3.41Å
667A85.2Confident86.8Confident27 Ų2744.9 Ų44.922%0.22323%0.229CC..Hα-helixtrans-63-42.3172.200000112.1F260 Q663 R664 D665 R670 A671F260-A667 HydrophobicContact CZ-CB 4.1Å; Q663-A667 WeakPolarHBondContact O-CB 3.38Å; Q663-A667 PolarHBondContact O-N 3.26Å; R664-A667 PolarHBondContact O-N 3.36Å; D665-A667 VanDerWaalsContact C-N 3.3Å; D665-A667 PolarHBondContact O-N 3.19Å; A667-R670 PolarHBondContact O-N 2.99Å; A667-A671 WeakPolarHBondContact O-CB 3.43Å; A667-A671 PolarHBondContact O-N 3.18Å
668K85.5Confident86.9Confident66 Ų6648.7 Ų48.729%0.28725%0.247SC..Hα-helixtrans-61-44.5172.5-65.1165.2-160.2164.90111.6F260 R664 D665 A671 L672F260-K668 HydrophobicContact CE2-CD 4.5Å; F260-K668 HydrophobicContact CE2-CG 3.9Å; R664-K668 WeakPolarHBondContact O-CG 3.5Å; R664-K668 PolarHBondContact O-N 2.97Å; R664-K668 VanDerWaalsContact O-N 3.15Å; D665-K668 WeakPolarHBondContact O-CB 3.27Å; D665-K668 PolarHBondContact O-N 3.18Å; D665-K668 WeakPolarHBondContact OD1-CE 3.4Å; D665-K668 IonicContact OD1-NZ 3.39Å; D665-K668 PolarHBondContact OD1-NZ 3.45Å; K668-A671 PolarHBondContact O-N 3.23Å; K668-L672 WeakPolarHBondContact O-CB 3.44Å; K668-L672 VanDerWaalsContact O-CG 3.27Å; K668-L672 WeakPolarHBondContact O-CG 3.49Å; K668-L672 PolarHBondContact O-N 3.11Å
669I84.8Confident87.1Confident3 Ų348.3 Ų48.32%0.01525%0.247CC..Hα-helixtrans-65.7-40.7-179.9-62.4164.7000110.9P290 M293 L294 I302 D665 A666 L672 K673P290-I669 HydrophobicContact CB-CD1 4.4Å; P290-I669 HydrophobicContact CB-CG1 4.14Å; M293-I669 HydrophobicContact CB-CD1 4.15Å; M293-I669 HydrophobicContact SD-CD1 4.26Å; L294-I669 HydrophobicContact CD2-CG2 4.01Å; L294-I669 HydrophobicContact CG-CG2 4.44Å; I302-I669 HydrophobicContact CD1-CG2 4.29Å; I302-I669 HydrophobicContact CG2-CG2 3.69Å; D665-I669 WeakPolarHBondContact O-CG1 3.46Å; D665-I669 PolarHBondContact O-N 3.21Å; A666-I669 PolarHBondContact O-N 3.06Å; I669-L672 PolarHBondContact O-N 2.87Å; I669-K673 HydrophobicContact CG2-CD 4.24Å; I669-K673 WeakPolarHBondContact O-CB 3.24Å; I669-K673 WeakPolarHBondContact O-CG 3.26Å; I669-K673 PolarHBondContact O-N 3.01Å
670R87.2Confident87.2Confident21 Ų2152.7 Ų52.78%0.07927%0.273CS..Hα-helixtrans-62.5-41.8173.3-80.7-175.3-77.297.9-2.1112.4A666 A667 K673 N674 I675A666-R670 WeakPolarHBondContact O-CB 3.42Å; A666-R670 PolarHBondContact O-N 3.41Å; A667-R670 PolarHBondContact O-N 2.99Å; R670-K673 CarbonylContact O-C 3.55Å; R670-K673 PolarHBondContact O-N 3.15Å; R670-N674 PolarHBondContact O-N 3.42Å; R670-I675 HydrophobicContact CG-CB 4.4Å; R670-I675 PolarHBondContact O-N 3.21Å
671A85.5Confident87.6Confident76 Ų7653 Ų5363%0.62828%0.276SS*.Hα-helixtrans-63-47.7174.400000112.1A667 K668 K673 N674A667-A671 WeakPolarHBondContact O-CB 3.43Å; A667-A671 PolarHBondContact O-N 3.18Å; K668-A671 PolarHBondContact O-N 3.23Å; A671-K673 PolarHBondContact O-N 3.34Å; A671-N674 PolarHBondContact O-N 2.72Å
672L87.2Confident88.1Confident120 Ų12051.1 Ų51.163%0.62827%0.267SS*.Hα-helixtrans-61.6-27.8177.1-72.2169000113.4L294 K668 I669L294-L672 HydrophobicContact CD1-CD1 4.06Å; K668-L672 WeakPolarHBondContact O-CB 3.44Å; K668-L672 VanDerWaalsContact O-CG 3.27Å; K668-L672 WeakPolarHBondContact O-CG 3.49Å; K668-L672 PolarHBondContact O-N 3.11Å; I669-L672 PolarHBondContact O-N 2.87Å
673K86.6Confident88.4Confident54 Ų5452 Ų5224%0.23527%0.273CS..THydrogen-bonded Turntrans-93.3-1.8174.4-66.5-172.9-179-1710114.1L294 V299 I302 I669 R670 A671 I675L294-K673 HydrophobicContact CD2-CD 4.48Å; L294-K673 HydrophobicContact CD2-CG 4.37Å; V299-K673 HydrophobicContact CG1-CD 4.49Å; I302-K673 VanDerWaalsContact CD1-NZ 3.27Å; I669-K673 HydrophobicContact CG2-CD 4.24Å; I669-K673 WeakPolarHBondContact O-CB 3.24Å; I669-K673 WeakPolarHBondContact O-CG 3.26Å; I669-K673 PolarHBondContact O-N 3.01Å; R670-K673 CarbonylContact O-C 3.55Å; R670-K673 PolarHBondContact O-N 3.15Å; A671-K673 PolarHBondContact O-N 3.34Å; K673-I675 HydrophobicContact CB-CD1 3.67Å; K673-I675 HydrophobicContact CB-CG1 3.81Å; K673-I675 HydrophobicContact CD-CD1 4.04Å
674N87.3Confident88.7Confident155 Ų15556.4 Ų56.483%0.82929%0.294SS*.THydrogen-bonded Turntrans53.445.3-172.9-163.725000114.4R670 A671R670-N674 PolarHBondContact O-N 3.42Å; A671-N674 PolarHBondContact O-N 2.72Å
675I85.6Confident89.1Confident45 Ų4557.8 Ų57.823%0.23131%0.306CS..  trans-104.9113.4-178.9-59.2174.5000110.3V299 D303 R670 K673V299-I675 HydrophobicContact CG1-CD1 4.31Å; D303-I675 WeakPolarHBondContact OD1-CG2 3.4Å; R670-I675 HydrophobicContact CG-CB 4.4Å; R670-I675 PolarHBondContact O-N 3.21Å; K673-I675 HydrophobicContact CB-CD1 3.67Å; K673-I675 HydrophobicContact CB-CG1 3.81Å; K673-I675 HydrophobicContact CD-CD1 4.04Å
676K86.4Confident89.2Confident124 Ų12459.9 Ų59.954%0.53934%0.335SS..  trans-75.8122.6168.1-175.7-174.9179.2-178.70109.3Q678 E684K676-Q678 PolarHBondContact O-NE2 2.85Å; K676-E684 IonicContact NZ-OE1 2.66Å; K676-E684 PolarHBondContact NZ-OE1 2.83Å; K676-E684 IonicContact NZ-OE2 2.86Å; K676-E684 PolarHBondContact NZ-OE2 3.21Å
677W88.4Confident89.3Confident23 Ų2368.1 Ų68.19%0.08737%0.372CS..  trans-51.2138.3173.2-179.2-99.6000112.1F305 L427 G428F305-W677 AromaticContact CD2-CH2 3.96Å; F305-W677 HydrophobicContact CD2-CH2 3.96Å; F305-W677 HydrophobicContact CD2-CZ2 4.34Å; L427-W677 HydrophobicContact CD1-CG 4.26Å; L427-W677 HydrophobicContact CD2-CB 3.79Å; L427-W677 HydrophobicContact CD2-CD2 4.18Å; L427-W677 HydrophobicContact CD2-CG 3.72Å; L427-W677 HydrophobicContact CG-CB 4.42Å; L427-W677 HydrophobicContact CG-CD2 4.14Å; L427-W677 HydrophobicContact CG-CG 3.85Å; G428-W677 VanDerWaalsContact CA-CZ2 3.42Å
678Q90.8Very high89.5Confident113 Ų11369.8 Ų69.853%0.52838%0.377SS..  trans-117.3106.6179-64.6-57.8-48.200110.5K676K676-Q678 PolarHBondContact O-NE2 2.85Å
679P92.9Very high90Very high4 Ų468 Ų683%0.02637%0.368CS..  trans-59.9139.3177.4-28.639000113.4E466 V468 W689 R692E466-P679 VanDerWaalsContact OE1-CA 3.3Å; E466-P679 WeakPolarHBondContact OE1-CA 3.45Å; E466-P679 WeakPolarHBondContact OE2-CB 3.46Å; V468-P679 HydrophobicContact CB-CB 4.21Å; V468-P679 HydrophobicContact CB-CG 3.83Å; V468-P679 HydrophobicContact CG1-CB 3.91Å; V468-P679 HydrophobicContact CG1-CG 4.1Å; P679-W689 HydrophobicContact CB-CZ3 4.18Å; P679-W689 HydrophobicContact CG-CE3 4.44Å; P679-W689 HydrophobicContact CG-CH2 3.87Å; P679-W689 HydrophobicContact CG-CZ3 3.6Å; P679-R692 PolarHBondContact O-NE 3.19Å; P679-R692 PolarHBondContact O-NH2 3.33Å
680V92.6Very high90.5Very high96 Ų9670.4 Ų70.458%0.58238%0.381SS*.SBendtrans-83.8-36.5-168.3-178.20000111.9E466 R692E466-V680 PolarHBondContact OE1-N 3.2Å; E466-V680 PolarHBondContact OE2-N 3.41Å; V680-R692 WeakPolarHBondContact O-CD 3.34Å
681L96.1Very high90.9Very high33 Ų3371.5 Ų71.517%0.17339%0.385CS..SBendtrans-98.9-31-175.3-58.4-177000112.4T430 V464 E466 Y691 R692T430-L681 HydrophobicContact CG2-CD1 3.69Å; T430-L681 HydrophobicContact CG2-CG 4.21Å; V464-L681 HydrophobicContact CB-CD1 4.23Å; E466-L681 HydrophobicContact CB-CB 4.47Å; E466-L681 WeakPolarHBondContact OE2-CA 3.19Å; E466-L681 WeakPolarHBondContact OE2-CB 3.24Å; E466-L681 PolarHBondContact OE2-N 3.48Å; L681-Y691 HydrophobicContact CB-CD2 4.31Å; L681-Y691 HydrophobicContact CB-CE2 4.1Å; L681-Y691 WeakPolarHBondContact O-CD2 3.45Å; L681-R692 WeakPolarHBondContact O-CB 3.43Å; L681-R692 VanDerWaalsContact O-CG 3.31Å; L681-R692 WeakPolarHBondContact O-CG 3.48Å; L681-R692 PolarHBondContact O-N 3.36Å
682F96.9Very high91.4Very high0 Ų072.5 Ų72.50%037%0.373CS..EExtended strand (participates in β ladder)trans-115.9159.3-176.3-62.1-97.9000112.9E466 V468 A476 F477 W689 I690 Y691 R692E466-F682 HydrophobicContact CB-CD2 3.6Å; E466-F682 HydrophobicContact CB-CE2 3.75Å; E466-F682 PolarHBondContact OE2-N 3.31Å; V468-F682 HydrophobicContact CG1-CB 3.9Å; V468-F682 HydrophobicContact CG1-CD2 4.23Å; V468-F682 HydrophobicContact CG1-CG 4.27Å; A476-F682 HydrophobicContact CB-CB 4.31Å; A476-F682 HydrophobicContact CB-CD1 3.61Å; A476-F682 HydrophobicContact CB-CD2 3.89Å; A476-F682 HydrophobicContact CB-CE1 3.85Å; A476-F682 HydrophobicContact CB-CE2 4.12Å; A476-F682 HydrophobicContact CB-CG 3.65Å; A476-F682 HydrophobicContact CB-CZ 4.12Å; F477-F682 VanDerWaalsContact C-CZ 3.49Å; F682-W689 HydrophobicContact CB-CB 4.44Å; F682-W689 HydrophobicContact CB-CE3 4.16Å; F682-I690 CarbonylContact C-O 3.57Å; F682-I690 WeakPolarHBondContact CA-O 3.26Å; F682-Y691 HydrophobicContact CE1-CD2 4.21Å; F682-Y691 HydrophobicContact CE1-CG 4.47Å; F682-Y691 HydrophobicContact CE2-CD2 4.39Å; F682-Y691 HydrophobicContact CZ-CD2 4.11Å; F682-R692 VanDerWaalsContact O-CZ 3.23Å; F682-R692 PolarHBondContact O-NE 3.3Å; F682-R692 PolarHBondContact O-NH2 2.74Å; F682-R692 VanDerWaalsContact O-NH2 3.11Å
683Q95.2Very high91.8Very high59 Ų5969.3 Ų69.328%0.27636%0.361SS..EExtended strand (participates in β ladder)trans-129.1138.9175.552.517374.500111.4C685 I690 R692Q683-C685 PolarHBondContact NE2-SG 3.04Å; Q683-I690 HydrophobicContact CG-CB 4.48Å; Q683-I690 VanDerWaalsContact CG-O 3.29Å; Q683-I690 WeakPolarHBondContact CG-O 3.46Å; Q683-I690 PolarHBondContact N-O 3.38Å; Q683-I690 PolarHBondContact O-N 3.21Å; Q683-R692 HydrophobicContact CB-CG 4.17Å; Q683-R692 HydrophobicContact CG-CG 4.09Å
684E93.5Very high92.2Very high107 Ų10767.2 Ų67.250%0.535%0.353SS..EExtended strand (participates in β ladder)trans-66.5126.6174.6-159169.5-154.400109.2K676 W689K676-E684 IonicContact NZ-OE1 2.66Å; K676-E684 PolarHBondContact NZ-OE1 2.83Å; K676-E684 IonicContact NZ-OE2 2.86Å; K676-E684 PolarHBondContact NZ-OE2 3.21Å; E684-W689 HydrophobicContact CB-CE3 4.28Å; E684-W689 HydrophobicContact CB-CH2 3.76Å; E684-W689 HydrophobicContact CB-CZ2 4.16Å; E684-W689 HydrophobicContact CB-CZ3 3.83Å; E684-W689 HydrophobicContact CG-CH2 4.05Å; E684-W689 HydrophobicContact CG-CZ2 3.98Å
685C91.6Very high92.5Very high52 Ų5260 Ų6035%0.35131%0.314SS..EExtended strand (participates in β ladder)trans-145.282.5-172.9-75.80000109.7Q683 N688 I690Q683-C685 PolarHBondContact NE2-SG 3.04Å; C685-N688 WeakPolarHBondContact CA-O 3.15Å; C685-N688 PolarHBondContact N-O 2.87Å; C685-N688 PolarHBondContact O-N 2.65Å; C685-I690 HydrophobicContact CB-CG1 3.74Å
686G89.2Confident92.9Very high73 Ų7360.1 Ų60.175%0.75332%0.319SS*.THydrogen-bonded Turntrans65.3-132.3-163.600000109.3N688G686-N688 PolarHBondContact O-N 2.93Å
687E86.2Confident93.2Very high180 Ų18059 Ų5984%0.84131%0.311SS*.THydrogen-bonded Turntrans-80.71177.2-59.1-179.8170.400113.7Q491Q491-E687 PolarHBondContact NE2-O 3.16Å
688N90.6Very high93.3Very high61 Ų6161.9 Ų61.933%0.32632%0.322SS..EExtended strand (participates in β ladder)trans-115.5145.8-171.4-70.1-53.3000114.2Q491 C685 G686 I690Q491-N688 PolarHBondContact NE2-OD1 3.43Å; Q491-N688 VanDerWaalsContact OE1-CA 3.3Å; C685-N688 WeakPolarHBondContact CA-O 3.15Å; C685-N688 PolarHBondContact N-O 2.87Å; C685-N688 PolarHBondContact O-N 2.65Å; G686-N688 PolarHBondContact O-N 2.93Å; N688-I690 HydrophobicContact CB-CD1 4.15Å
689W94.8Very high93.2Very high29 Ų2959.2 Ų59.211%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-102.396.7176.9-72.495.9000111.6V468 A476 N489 Q491 P679 F682 E684V468-W689 HydrophobicContact CB-CD2 3.8Å; V468-W689 HydrophobicContact CB-CE3 3.87Å; V468-W689 HydrophobicContact CB-CG 4.33Å; V468-W689 HydrophobicContact CB-CH2 4.31Å; V468-W689 HydrophobicContact CB-CZ2 4.25Å; V468-W689 HydrophobicContact CB-CZ3 4.13Å; V468-W689 HydrophobicContact CG1-CD2 4.15Å; V468-W689 HydrophobicContact CG1-CE3 3.96Å; V468-W689 HydrophobicContact CG1-CG 4.49Å; V468-W689 HydrophobicContact CG1-CZ3 4.47Å; V468-W689 HydrophobicContact CG2-CB 4.47Å; V468-W689 HydrophobicContact CG2-CD2 3.61Å; V468-W689 HydrophobicContact CG2-CE3 4.21Å; V468-W689 HydrophobicContact CG2-CG 3.7Å; V468-W689 HydrophobicContact CG2-CZ2 4.28Å; A476-W689 HydrophobicContact CB-CB 3.82Å; N489-W689 PolarHBondContact ND2-O 3.22Å; N489-W689 VanDerWaalsContact ND2-O 3.08Å; N489-W689 PolarHBondContact OD1-O 3.48Å; Q491-W689 VanDerWaalsContact OE1-CD1 3.23Å; P679-W689 HydrophobicContact CB-CZ3 4.18Å; P679-W689 HydrophobicContact CG-CE3 4.44Å; P679-W689 HydrophobicContact CG-CH2 3.87Å; P679-W689 HydrophobicContact CG-CZ3 3.6Å; F682-W689 HydrophobicContact CB-CB 4.44Å; F682-W689 HydrophobicContact CB-CE3 4.16Å; E684-W689 HydrophobicContact CB-CE3 4.28Å; E684-W689 HydrophobicContact CB-CH2 3.76Å; E684-W689 HydrophobicContact CB-CZ2 4.16Å; E684-W689 HydrophobicContact CB-CZ3 3.83Å; E684-W689 HydrophobicContact CG-CH2 4.05Å; E684-W689 HydrophobicContact CG-CZ2 3.98Å
690I95.4Very high92.8Very high54 Ų5461.4 Ų61.428%0.27733%0.326SS..EExtended strand (participates in β ladder)trans-90.9134.1-176-52-57.6000110.1N489 F682 Q683 C685 N688N489-I690 WeakPolarHBondContact OD1-CD1 3.42Å; F682-I690 CarbonylContact C-O 3.57Å; F682-I690 WeakPolarHBondContact CA-O 3.26Å; Q683-I690 HydrophobicContact CG-CB 4.48Å; Q683-I690 VanDerWaalsContact CG-O 3.29Å; Q683-I690 WeakPolarHBondContact CG-O 3.46Å; Q683-I690 PolarHBondContact N-O 3.38Å; Q683-I690 PolarHBondContact O-N 3.21Å; C685-I690 HydrophobicContact CB-CG1 3.74Å; N688-I690 HydrophobicContact CB-CD1 4.15Å
691Y97.3Very high92.1Very high43 Ų4361 Ų6117%0.16932%0.321CS..EExtended strand (participates in β ladder)trans-60.9139.2174.5-178.3-120.2000111.2V464 Y478 L681 F682 S693 P694V464-Y691 HydrophobicContact CG2-CD2 4.17Å; V464-Y691 HydrophobicContact CG2-CE2 3.8Å; Y478-Y691 AromaticContact CD1-CD1 3.48Å; Y478-Y691 HydrophobicContact CD1-CD1 3.48Å; Y478-Y691 VanDerWaalsContact CD1-CD1 3.48Å; Y478-Y691 HydrophobicContact CD1-CD2 4.43Å; Y478-Y691 AromaticContact CD1-CE1 3.72Å; Y478-Y691 HydrophobicContact CD1-CE1 3.72Å; Y478-Y691 AromaticContact CD1-CG 3.87Å; Y478-Y691 HydrophobicContact CD1-CG 3.87Å; Y478-Y691 AromaticContact CD2-CD1 3.86Å; Y478-Y691 HydrophobicContact CD2-CD1 3.86Å; Y478-Y691 AromaticContact CD2-CG 3.98Å; Y478-Y691 HydrophobicContact CD2-CG 3.98Å; Y478-Y691 AromaticContact CE1-CD1 3.58Å; Y478-Y691 HydrophobicContact CE1-CD1 3.58Å; Y478-Y691 AromaticContact CE1-CE1 3.68Å; Y478-Y691 HydrophobicContact CE1-CE1 3.68Å; Y478-Y691 HydrophobicContact CE1-CG 4.41Å; Y478-Y691 AromaticContact CE2-CD1 3.96Å; Y478-Y691 HydrophobicContact CE2-CD1 3.96Å; Y478-Y691 AromaticContact CG-CD1 3.63Å; Y478-Y691 HydrophobicContact CG-CD1 3.63Å; Y478-Y691 HydrophobicContact CG-CD2 4.34Å; Y478-Y691 HydrophobicContact CG-CE1 4.32Å; Y478-Y691 AromaticContact CG-CG 3.64Å; Y478-Y691 HydrophobicContact CG-CG 3.64Å; Y478-Y691 AromaticContact CZ-CD1 3.84Å; L681-Y691 HydrophobicContact CB-CD2 4.31Å; L681-Y691 HydrophobicContact CB-CE2 4.1Å; L681-Y691 WeakPolarHBondContact O-CD2 3.45Å; F682-Y691 HydrophobicContact CE1-CD2 4.21Å; F682-Y691 HydrophobicContact CE1-CG 4.47Å; F682-Y691 HydrophobicContact CE2-CD2 4.39Å; F682-Y691 HydrophobicContact CZ-CD2 4.11Å; Y691-S693 WeakPolarHBondContact CE1-O 3.4Å; Y691-S693 PolarHBondContact O-N 2.82Å; Y691-P694 WeakPolarHBondContact O-CD 3.48Å
692R95.9Very high90.9Very high97 Ų9764.6 Ų64.637%0.36634%0.341SS..SBendtrans-71.5-22.7-171.2-70.9174.7-174.6-84.67.1114.3P679 V680 L681 F682 Q683 R697P679-R692 PolarHBondContact O-NE 3.19Å; P679-R692 PolarHBondContact O-NH2 3.33Å; V680-R692 WeakPolarHBondContact O-CD 3.34Å; L681-R692 WeakPolarHBondContact O-CB 3.43Å; L681-R692 VanDerWaalsContact O-CG 3.31Å; L681-R692 WeakPolarHBondContact O-CG 3.48Å; L681-R692 PolarHBondContact O-N 3.36Å; F682-R692 VanDerWaalsContact O-CZ 3.23Å; F682-R692 PolarHBondContact O-NE 3.3Å; F682-R692 PolarHBondContact O-NH2 2.74Å; F682-R692 VanDerWaalsContact O-NH2 3.11Å; Q683-R692 HydrophobicContact CB-CG 4.17Å; Q683-R692 HydrophobicContact CG-CG 4.09Å; R692-R697 PolarHBondContact O-NH1 2.94Å
693S93.8Very high89.4Confident54 Ų5471 Ų7138%0.37838%0.375SS..SBendtrans-135.357-175.3-156.40000114Y691 R698Y691-S693 WeakPolarHBondContact CE1-O 3.4Å; Y691-S693 PolarHBondContact O-N 2.82Å; S693-R698 PolarHBondContact O-NE 3.3Å
694P95Very high87.6Confident10 Ų1074.7 Ų74.77%0.06540%0.396CS..  trans-68.2154-172.430.7-34.4000111.9Y478 Y691 S696 R697 R698Y478-P694 HydrophobicContact CE2-CB 3.99Å; Y691-P694 WeakPolarHBondContact O-CD 3.48Å; P694-S696 PolarHBondContact O-N 2.74Å; P694-R697 HydrophobicContact CG-CB 3.83Å; P694-R697 WeakPolarHBondContact O-CB 3.44Å; P694-R697 PolarHBondContact O-N 3.44Å; P694-R698 PolarHBondContact O-N 3.08Å; P694-R698 VanDerWaalsContact O-N 3.08Å
695L94.9Very high85.3Confident4 Ų479.1 Ų79.12%0.02142%0.423CS..Hα-helixtrans-54.7-41.5-178.7177.763.9000111.3Y478 E480 P482 Q487 L516 R697 R698 L699Y478-L695 WeakPolarHBondContact OH-CB 3.03Å; Y478-L695 PolarHBondContact OH-N 3.4Å; E480-L695 HydrophobicContact CB-CB 4.45Å; E480-L695 HydrophobicContact CB-CD2 4.46Å; P482-L695 HydrophobicContact CB-CD1 4.14Å; P482-L695 HydrophobicContact CG-CD1 4.36Å; Q487-L695 HydrophobicContact CB-CB 4.37Å; L516-L695 HydrophobicContact CD1-CB 4.26Å; L516-L695 HydrophobicContact CD1-CD2 3.91Å; L516-L695 HydrophobicContact CD1-CG 3.88Å; L695-R697 VanDerWaalsContact C-N 3.34Å; L695-R697 PolarHBondContact O-N 3.28Å; L695-R698 PolarHBondContact O-N 3.24Å; L695-L699 HydrophobicContact CD1-CD1 3.99Å; L695-L699 HydrophobicContact CD1-CD2 4.45Å; L695-L699 HydrophobicContact CD1-CG 3.96Å; L695-L699 HydrophobicContact CG-CD1 3.87Å; L695-L699 HydrophobicContact CG-CG 4.25Å; L695-L699 WeakPolarHBondContact O-CB 3.21Å; L695-L699 WeakPolarHBondContact O-CG 3.44Å; L695-L699 PolarHBondContact O-N 3.33Å
696S93.5Very high85Confident47 Ų4780.5 Ų80.533%0.32943%0.426SS..Hα-helixtrans-55.2-44.5175.462.20000113.3P694 S700P694-S696 PolarHBondContact O-N 2.74Å; S696-S700 WeakPolarHBondContact O-CB 3.2Å; S696-S700 PolarHBondContact O-N 3.33Å; S696-S700 PolarHBondContact O-OG 3Å
697R92Very high84.8Confident101 Ų10180.9 Ų80.938%0.38141%0.409SS..Hα-helixtrans-70.1-36.1178.4-176-179.7-67.3167.4-3.4112.2R692 P694 L695 S700 N701R692-R697 PolarHBondContact O-NH1 2.94Å; P694-R697 HydrophobicContact CG-CB 3.83Å; P694-R697 WeakPolarHBondContact O-CB 3.44Å; P694-R697 PolarHBondContact O-N 3.44Å; L695-R697 VanDerWaalsContact C-N 3.34Å; L695-R697 PolarHBondContact O-N 3.28Å; R697-S700 WeakPolarHBondContact CA-OG 3.45Å; R697-S700 PolarHBondContact O-OG 2.87Å; R697-N701 WeakPolarHBondContact O-CB 3.35Å; R697-N701 PolarHBondContact O-N 3.14Å; R697-N701 VanDerWaalsContact O-N 3.15Å; R697-N701 PolarHBondContact O-OD1 2.89Å
698R92.2Very high84.7Confident82 Ų8275.4 Ų75.431%0.30939%0.385SS..Hα-helixtrans-71.7-40.9177.3-66.4-174.8-64.8115.58.5111.5E480 S693 P694 L695 N701 N702E480-R698 IonicContact OE1-CZ 3.66Å; E480-R698 IonicContact OE1-NH1 3.89Å; E480-R698 IonicContact OE1-NH2 2.64Å; E480-R698 PolarHBondContact OE1-NH2 2.83Å; E480-R698 IonicContact OE2-CZ 2.73Å; E480-R698 IonicContact OE2-NH2 2.65Å; E480-R698 PolarHBondContact OE2-NH2 2.9Å; S693-R698 PolarHBondContact O-NE 3.3Å; P694-R698 PolarHBondContact O-N 3.08Å; P694-R698 VanDerWaalsContact O-N 3.08Å; L695-R698 PolarHBondContact O-N 3.24Å; R698-N701 PolarHBondContact O-N 3.18Å; R698-N702 PolarHBondContact O-N 3.05Å; R698-N702 VanDerWaalsContact O-N 3.14Å; R698-N702 PolarHBondContact O-OD1 3.26Å
699L88.3Confident84.4Confident57 Ų5776.2 Ų76.230%0.29839%0.388SS..Hα-helixtrans-66-40.8173.3-67.8175.6000112.3L516 L695 N701 N702 N703L516-L699 HydrophobicContact CD1-CD1 4.08Å; L695-L699 HydrophobicContact CD1-CD1 3.99Å; L695-L699 HydrophobicContact CD1-CD2 4.45Å; L695-L699 HydrophobicContact CD1-CG 3.96Å; L695-L699 HydrophobicContact CG-CD1 3.87Å; L695-L699 HydrophobicContact CG-CG 4.25Å; L695-L699 WeakPolarHBondContact O-CB 3.21Å; L695-L699 WeakPolarHBondContact O-CG 3.44Å; L695-L699 PolarHBondContact O-N 3.33Å; L699-N701 VanDerWaalsContact C-N 3.31Å; L699-N701 PolarHBondContact O-N 3.48Å; L699-N702 PolarHBondContact O-N 2.86Å; L699-N703 PolarHBondContact O-N 3.08Å; L699-N703 PolarHBondContact O-ND2 3.38Å
700S83.2Confident83.7Confident50 Ų5079.2 Ų79.235%0.3541%0.406SS..Hα-helixtrans-64.2-35.9176.563.30000112.8S696 R697 N703 N704S696-S700 WeakPolarHBondContact O-CB 3.2Å; S696-S700 PolarHBondContact O-N 3.33Å; S696-S700 PolarHBondContact O-OG 3Å; R697-S700 WeakPolarHBondContact CA-OG 3.45Å; R697-S700 PolarHBondContact O-OG 2.87Å; S700-N703 PolarHBondContact O-N 3.4Å; S700-N704 PolarHBondContact O-ND2 2.81Å
701N77.7Confident83Confident89 Ų8980.9 Ų80.948%0.47641%0.414SS..Hα-helixtrans-70.8-39.7178.1-70.13.6000111.7R697 R698 L699 N703 N704R697-N701 WeakPolarHBondContact O-CB 3.35Å; R697-N701 PolarHBondContact O-N 3.14Å; R697-N701 VanDerWaalsContact O-N 3.15Å; R697-N701 PolarHBondContact O-OD1 2.89Å; R698-N701 PolarHBondContact O-N 3.18Å; L699-N701 VanDerWaalsContact C-N 3.31Å; L699-N701 PolarHBondContact O-N 3.48Å; N701-N703 PolarHBondContact O-N 2.96Å; N701-N704 PolarHBondContact O-N 3.44Å; N701-N704 VanDerWaalsContact O-N 3.09Å
702N72.9Confident81.9Confident108 Ų10883.6 Ų83.658%0.57843%0.432SS*.Hα-helixtrans-67.1-19.5176.5-70.11.1000113.8R698 L699R698-N702 PolarHBondContact O-N 3.05Å; R698-N702 VanDerWaalsContact O-N 3.14Å; R698-N702 PolarHBondContact O-OD1 3.26Å; L699-N702 PolarHBondContact O-N 2.86Å
703N64.4Low80.9Confident134 Ų13482.5 Ų82.572%0.71744%0.437SS*.THydrogen-bonded Turntrans-88.8-3.1174.2-68.8-18.5000113.4L699 S700 N701L699-N703 PolarHBondContact O-N 3.08Å; L699-N703 PolarHBondContact O-ND2 3.38Å; S700-N703 PolarHBondContact O-N 3.4Å; N701-N703 PolarHBondContact O-N 2.96Å
704N58Low79.8Confident136 Ų13684.9 Ų84.973%0.72744%0.442SS*.  trans-114.315.1179.7-72-42.4000112.4S700 N701S700-N704 PolarHBondContact O-ND2 2.81Å; N701-N704 PolarHBondContact O-N 3.44Å; N701-N704 VanDerWaalsContact O-N 3.09Å
705L45.2Very low78.4Confident201 Ų20191.7 Ų91.7100%1.05248%0.476SS*.  trans-122.80178.7-72.6170.7000110.2

Retrieved 705 of 705 residues in 1049.9 ms (Link to these results)

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