G4VMK5_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession G4VMK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 284 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
1M79.3Confident88.5Confident205 Ų20570.5 Ų70.5100%1.0133%0.333SS*.  0134.60-169172.6-93.600108.8N26M1-N26 PolarHBondContact O-N 3.12Å
2S85.5Confident87.9Confident44 Ų4466.3 Ų66.331%0.30832%0.317SS..EExtended strand (participates in β ladder)trans-80.3137.817238.50000109.7E5 L24S2-E5 WeakPolarHBondContact CB-OE2 3.43Å; S2-E5 PolarHBondContact OG-OE2 3.2Å; S2-L24 CarbonylContact C-O 3.51Å; S2-L24 VanDerWaalsContact CA-O 3.32Å; S2-L24 WeakPolarHBondContact CA-O 3.31Å
3I88.6Confident86.7Confident55 Ų5572.8 Ų72.828%0.28236%0.355SS..EExtended strand (participates in β ladder)trans-78.5-41.6170.3-62.4174.5000109.2L24 N26 A108 L112I3-L24 HydrophobicContact CB-CD2 4.49Å; I3-L24 PolarHBondContact N-O 3.01Å; I3-N26 HydrophobicContact CD1-CB 4.36Å; I3-N26 HydrophobicContact CG1-CB 4.07Å; I3-A108 HydrophobicContact CG2-CB 3.88Å; I3-L112 HydrophobicContact CD1-CD1 4.17Å; I3-L112 HydrophobicContact CD1-CD2 3.32Å; I3-L112 HydrophobicContact CD1-CG 3.53Å
4R90.7Very high85.6Confident93 Ų9383 Ų8335%0.35139%0.387SS..EExtended strand (participates in β ladder)trans-147.5140.8-179.1-17067.8-178.8-174.1-0.8109.7L24 S104 W105 A108R4-L24 HydrophobicContact CB-CB 4.41Å; R4-L24 PolarHBondContact N-O 3.31Å; R4-L24 PolarHBondContact O-N 3.2Å; R4-S104 PolarHBondContact NE-OG 3.08Å; R4-S104 PolarHBondContact NH1-OG 3.03Å; R4-S104 PolarHBondContact NH2-OG 3.18Å; R4-W105 HydrophobicContact CB-CE3 4.29Å; R4-W105 HydrophobicContact CB-CH2 4.44Å; R4-W105 HydrophobicContact CB-CZ3 4.11Å; R4-W105 HydrophobicContact CG-CD2 3.96Å; R4-W105 HydrophobicContact CG-CE3 3.97Å; R4-W105 HydrophobicContact CG-CH2 4.13Å; R4-W105 HydrophobicContact CG-CZ2 4.13Å; R4-W105 HydrophobicContact CG-CZ3 4.05Å; R4-A108 HydrophobicContact CB-CB 3.87Å; R4-A108 HydrophobicContact CG-CB 4.46Å
5E93.6Very high84.7Confident81 Ų8187.1 Ų87.138%0.37940%0.403SS..EExtended strand (participates in β ladder)trans-145.7157.1171.256-176.2-124.500110.9S2 Y21 C22 K23S2-E5 WeakPolarHBondContact CB-OE2 3.43Å; S2-E5 PolarHBondContact OG-OE2 3.2Å; E5-Y21 HydrophobicContact CB-CE1 4.06Å; E5-Y21 VanDerWaalsContact CG-OH 3.3Å; E5-Y21 WeakPolarHBondContact CG-OH 3.31Å; E5-Y21 PolarHBondContact OE1-OH 3Å; E5-C22 CarbonylContact C-O 3.58Å; E5-C22 WeakPolarHBondContact CA-O 3.33Å; E5-C22 WeakPolarHBondContact CB-O 3.19Å; E5-K23 HydrophobicContact CB-CG 3.95Å
6G92.8Very high84.4Confident18 Ų1888.1 Ų88.119%0.18641%0.413CS..EExtended strand (participates in β ladder)trans160.3171.9-179.300000112.8C22G6-C22 PolarHBondContact N-O 3.06Å; G6-C22 PolarHBondContact O-N 2.84Å
7Y92.4Very high84.2Confident119 Ų11986.4 Ų86.447%0.46740%0.402SS..EExtended strand (participates in β ladder)trans-80.3132.4177.2-74.3-84.7000111.4V20 Y21 A36Y7-V20 WeakPolarHBondContact CA-O 3.22Å; Y7-Y21 HydrophobicContact CD1-CD2 4.22Å; Y7-Y21 AromaticContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CE2 4.23Å; Y7-Y21 HydrophobicContact CE1-CD2 4.1Å; Y7-Y21 AromaticContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CE2 4.07Å; Y7-Y21 HydrophobicContact CG-CD2 4.12Å; Y7-Y21 AromaticContact CZ-CD2 3.83Å; Y7-A36 PolarHBondContact OH-N 3.06Å
8L90.9Very high84.4Confident3 Ų385.4 Ų85.42%0.01640%0.397CS..EExtended strand (participates in β ladder)trans-127.8154.7171.8-68.5-179.9000109.6S19 V20 C22 F79 F94 C96 T101 W105L8-S19 CarbonylContact O-C 3.55Å; L8-S19 WeakPolarHBondContact O-CA 3.1Å; L8-V20 PolarHBondContact N-O 3.25Å; L8-V20 WeakPolarHBondContact O-CG2 3.32Å; L8-V20 PolarHBondContact O-N 3.46Å; L8-C22 HydrophobicContact CD1-CB 4.11Å; L8-F79 HydrophobicContact CD1-CE1 3.95Å; L8-F79 HydrophobicContact CD1-CZ 3.62Å; L8-F94 HydrophobicContact CB-CD1 4.34Å; L8-F94 HydrophobicContact CD1-CB 4.3Å; L8-F94 HydrophobicContact CD1-CD1 4.38Å; L8-C96 HydrophobicContact CD2-CB 4.48Å; L8-T101 HydrophobicContact CD2-CG2 4.19Å; L8-W105 HydrophobicContact CD1-CD2 4.24Å; L8-W105 HydrophobicContact CD1-CZ2 3.9Å; L8-W105 HydrophobicContact CG-CZ2 4.19Å
9K88.3Confident84.7Confident106 Ų10684.8 Ų84.846%0.46140%0.404SS..EExtended strand (participates in β ladder)trans-85.6124.4169.8-70.8-179.3-179.2175.20108.4W17 H18 F94 A95K9-W17 HydrophobicContact CB-CB 4.45Å; K9-W17 HydrophobicContact CB-CE3 3.85Å; K9-W17 WeakPolarHBondContact O-CZ3 3.47Å; K9-H18 CarbonylContact C-O 3.53Å; K9-H18 WeakPolarHBondContact CA-O 3.43Å; K9-F94 CarbonylContact O-C 3.5Å; K9-F94 VanDerWaalsContact O-CA 3.23Å; K9-F94 WeakPolarHBondContact O-CA 3.47Å; K9-A95 HydrophobicContact CB-CB 4.22Å; K9-A95 PolarHBondContact N-O 3.36Å; K9-A95 PolarHBondContact O-N 3.23Å
10K88.5Confident85.1Confident23 Ų2380.7 Ų80.710%0.138%0.384CS..EExtended strand (participates in β ladder)trans-104.9138.7174.4176.9176.9177-65.70110.4W17 H18 V20 W93 F94K10-W17 VanDerWaalsContact C-CE3 3.43Å; K10-W17 WeakPolarHBondContact O-CA 3.17Å; K10-H18 PolarHBondContact N-O 3.31Å; K10-H18 PolarHBondContact O-N 3.44Å; K10-V20 HydrophobicContact CB-CB 4.5Å; K10-V20 HydrophobicContact CB-CG1 3.97Å; K10-V20 HydrophobicContact CB-CG2 3.63Å; K10-V20 HydrophobicContact CD-CG1 4.35Å; K10-W93 VanDerWaalsContact CA-O 3.31Å; K10-W93 WeakPolarHBondContact CA-O 3.37Å; K10-F94 HydrophobicContact CB-CD1 4.06Å; K10-F94 HydrophobicContact CB-CE1 4.01Å; K10-F94 HydrophobicContact CD-CE1 3.95Å; K10-F94 HydrophobicContact CD-CZ 4.24Å; K10-F94 HydrophobicContact CG-CD1 4.4Å; K10-F94 HydrophobicContact CG-CE1 4.05Å
11W83.4Confident85.5Confident29 Ų2978.1 Ų78.111%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-74.4132.6170.6-172-120.5000110.3K15 W17 P67 S69 W93W11-K15 HydrophobicContact CH2-CB 3.71Å; W11-K15 WeakPolarHBondContact CH2-O 3.5Å; W11-K15 HydrophobicContact CZ2-CB 3.74Å; W11-K15 HydrophobicContact CZ2-CG 4.09Å; W11-K15 VanDerWaalsContact CZ3-O 3.22Å; W11-K15 WeakPolarHBondContact CZ3-O 3.42Å; W11-W17 HydrophobicContact CB-CE3 4.18Å; W11-W17 HydrophobicContact CB-CH2 4.09Å; W11-W17 HydrophobicContact CB-CZ2 4.42Å; W11-W17 HydrophobicContact CB-CZ3 3.94Å; W11-W17 AromaticContact CE3-CD1 3.67Å; W11-W17 AromaticContact CE3-CD2 3.8Å; W11-W17 HydrophobicContact CE3-CD2 3.8Å; W11-W17 AromaticContact CE3-CE2 3.61Å; W11-W17 AromaticContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CZ2 4.24Å; W11-W17 AromaticContact CE3-NE1 3.49Å; W11-W17 AromaticContact CZ3-CD1 3.61Å; W11-W17 HydrophobicContact CZ3-CG 4.21Å; W11-W17 AromaticContact CZ3-NE1 3.58Å; W11-P67 HydrophobicContact CB-CB 4.48Å; W11-P67 HydrophobicContact CD2-CB 3.49Å; W11-P67 VanDerWaalsContact CD2-CB 3.49Å; W11-P67 HydrophobicContact CE3-CB 3.83Å; W11-P67 HydrophobicContact CG-CB 3.83Å; W11-P67 HydrophobicContact CH2-CB 4.26Å; W11-P67 HydrophobicContact CZ2-CB 3.93Å; W11-P67 HydrophobicContact CZ3-CB 4.25Å; W11-S69 WeakPolarHBondContact CH2-OG 3.29Å; W11-S69 WeakPolarHBondContact CZ3-OG 3.24Å; W11-W93 HydrophobicContact CB-CB 3.8Å; W11-W93 PolarHBondContact N-O 3.19Å
12S80.5Confident86.2Confident19 Ų1968.3 Ų68.313%0.13332%0.322CS..  trans-105.2156.4174.264.20000111.3R14 K15 N16S12-R14 PolarHBondContact O-N 2.77Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-N16 PolarHBondContact N-O 2.82Å; S12-N16 PolarHBondContact OG-N 2.91Å; S12-N16 PolarHBondContact OG-O 3.18Å
13D72.3Confident86.6Confident152 Ų15268.8 Ų68.881%0.81332%0.319SS*.THydrogen-bonded Turntrans-59.8-19.4173.3-53.2-34.4000112.3K15D13-K15 PolarHBondContact O-N 2.96Å
14R71Confident86.7Confident215 Ų21566.2 Ų66.281%0.81131%0.306SS*.THydrogen-bonded Turntrans-77.111173.3-61.2-170179.6-146.60.7113.7S12 N16S12-R14 PolarHBondContact O-N 2.77Å; R14-N16 PolarHBondContact O-N 3.14Å; R14-N16 PolarHBondContact O-ND2 3.04Å
15K72.1Confident86.8Confident144 Ų14463.4 Ų63.463%0.62630%0.298SS*.SBendtrans56.633.3-178.8-56.1-179-179.9-179.50114W11 S12 D13W11-K15 HydrophobicContact CH2-CB 3.71Å; W11-K15 WeakPolarHBondContact CH2-O 3.5Å; W11-K15 HydrophobicContact CZ2-CB 3.74Å; W11-K15 HydrophobicContact CZ2-CG 4.09Å; W11-K15 VanDerWaalsContact CZ3-O 3.22Å; W11-K15 WeakPolarHBondContact CZ3-O 3.42Å; S12-K15 PolarHBondContact O-N 3.31Å; D13-K15 PolarHBondContact O-N 2.96Å
16N79.9Confident86.5Confident104 Ų10463.1 Ų63.156%0.55630%0.298SS*.  trans-126.7144.1176.9-69.6-45.4000110.3S12 R14S12-N16 PolarHBondContact N-O 2.82Å; S12-N16 PolarHBondContact OG-N 2.91Å; S12-N16 PolarHBondContact OG-O 3.18Å; R14-N16 PolarHBondContact O-N 3.14Å; R14-N16 PolarHBondContact O-ND2 3.04Å
17W82.3Confident86.2Confident59 Ų5966.5 Ų66.522%0.22331%0.312CS..EExtended strand (participates in β ladder)trans-84.3131.8167.9-68.699.1000109.6K9 K10 W11 P67 S69 Q70 W93 A95K9-W17 HydrophobicContact CB-CB 4.45Å; K9-W17 HydrophobicContact CB-CE3 3.85Å; K9-W17 WeakPolarHBondContact O-CZ3 3.47Å; K10-W17 VanDerWaalsContact C-CE3 3.43Å; K10-W17 WeakPolarHBondContact O-CA 3.17Å; W11-W17 HydrophobicContact CB-CE3 4.18Å; W11-W17 HydrophobicContact CB-CH2 4.09Å; W11-W17 HydrophobicContact CB-CZ2 4.42Å; W11-W17 HydrophobicContact CB-CZ3 3.94Å; W11-W17 AromaticContact CE3-CD1 3.67Å; W11-W17 AromaticContact CE3-CD2 3.8Å; W11-W17 HydrophobicContact CE3-CD2 3.8Å; W11-W17 AromaticContact CE3-CE2 3.61Å; W11-W17 AromaticContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CG 3.87Å; W11-W17 HydrophobicContact CE3-CZ2 4.24Å; W11-W17 AromaticContact CE3-NE1 3.49Å; W11-W17 AromaticContact CZ3-CD1 3.61Å; W11-W17 HydrophobicContact CZ3-CG 4.21Å; W11-W17 AromaticContact CZ3-NE1 3.58Å; W17-P67 HydrophobicContact CH2-CB 4.3Å; W17-P67 HydrophobicContact CH2-CG 4.03Å; W17-P67 HydrophobicContact CZ2-CB 3.52Å; W17-P67 HydrophobicContact CZ2-CG 3.52Å; W17-S69 PolarHBondContact NE1-OG 3.26Å; W17-Q70 HydrophobicContact CZ2-CB 4.37Å; W17-Q70 HydrophobicContact CZ2-CG 4.28Å; W17-W93 HydrophobicContact CH2-CB 4.25Å; W17-A95 HydrophobicContact CE3-CB 4.15Å; W17-A95 HydrophobicContact CH2-CB 3.82Å; W17-A95 HydrophobicContact CZ2-CB 4.43Å; W17-A95 HydrophobicContact CZ3-CB 3.67Å
18H87.3Confident86Confident68 Ų6860.8 Ų60.832%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-133150.4172.663.172.3000110.2K9 K10 V20K9-H18 CarbonylContact C-O 3.53Å; K9-H18 WeakPolarHBondContact CA-O 3.43Å; K10-H18 PolarHBondContact N-O 3.31Å; K10-H18 PolarHBondContact O-N 3.44Å; H18-V20 WeakPolarHBondContact CE1-CG1 3.47Å; H18-V20 WeakPolarHBondContact ND1-CG1 3.5Å
19S90.1Very high86Confident75 Ų7565.1 Ų65.152%0.52431%0.306SS..EExtended strand (participates in β ladder)trans-68.1141174.9-59.10000110.3L8L8-S19 CarbonylContact O-C 3.55Å; L8-S19 WeakPolarHBondContact O-CA 3.1Å
20V92.6Very high86.2Confident1 Ų160 Ų601%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-136.1149.4170.2-690000108.6Y7 L8 K10 H18 W32 F33 F94Y7-V20 WeakPolarHBondContact CA-O 3.22Å; L8-V20 PolarHBondContact N-O 3.25Å; L8-V20 WeakPolarHBondContact O-CG2 3.32Å; L8-V20 PolarHBondContact O-N 3.46Å; K10-V20 HydrophobicContact CB-CB 4.5Å; K10-V20 HydrophobicContact CB-CG1 3.97Å; K10-V20 HydrophobicContact CB-CG2 3.63Å; K10-V20 HydrophobicContact CD-CG1 4.35Å; H18-V20 WeakPolarHBondContact CE1-CG1 3.47Å; H18-V20 WeakPolarHBondContact ND1-CG1 3.5Å; V20-W32 HydrophobicContact CB-CB 4.41Å; V20-W32 HydrophobicContact CG2-CB 4.36Å; V20-F33 WeakPolarHBondContact CB-O 3.29Å; V20-F94 HydrophobicContact CG2-CD1 4.36Å; V20-F94 HydrophobicContact CG2-CE1 4.13Å
21Y93.8Very high86.4Confident27 Ų2760.7 Ų60.711%0.10629%0.288CS..EExtended strand (participates in β ladder)trans-90.5118.7172.7-168.3-101000109.4E5 Y7 K23 W32 F33 A36E5-Y21 HydrophobicContact CB-CE1 4.06Å; E5-Y21 VanDerWaalsContact CG-OH 3.3Å; E5-Y21 WeakPolarHBondContact CG-OH 3.31Å; E5-Y21 PolarHBondContact OE1-OH 3Å; Y7-Y21 HydrophobicContact CD1-CD2 4.22Å; Y7-Y21 AromaticContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CD2 3.84Å; Y7-Y21 HydrophobicContact CD2-CE2 4.23Å; Y7-Y21 HydrophobicContact CE1-CD2 4.1Å; Y7-Y21 AromaticContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CD2 3.67Å; Y7-Y21 HydrophobicContact CE2-CE2 4.07Å; Y7-Y21 HydrophobicContact CG-CD2 4.12Å; Y7-Y21 AromaticContact CZ-CD2 3.83Å; Y21-K23 HydrophobicContact CD1-CG 4.05Å; Y21-K23 HydrophobicContact CE1-CD 4.2Å; Y21-K23 HydrophobicContact CE1-CG 3.74Å; Y21-W32 CarbonylContact O-C 3.59Å; Y21-W32 VanDerWaalsContact O-CA 3.25Å; Y21-W32 WeakPolarHBondContact O-CA 3.35Å; Y21-F33 HydrophobicContact CD1-CD2 4.42Å; Y21-F33 PolarHBondContact N-O 2.83Å; Y21-F33 VanDerWaalsContact N-O 3.08Å; Y21-F33 WeakPolarHBondContact O-CD2 3.47Å; Y21-F33 PolarHBondContact O-N 3.36Å; Y21-A36 HydrophobicContact CD1-CB 4.25Å; Y21-A36 HydrophobicContact CD2-CB 3.82Å; Y21-A36 HydrophobicContact CE1-CB 4.41Å; Y21-A36 HydrophobicContact CE2-CB 3.98Å; Y21-A36 HydrophobicContact CG-CB 3.94Å
22C93.6Very high86.8Confident0 Ų059.7 Ų59.70%028%0.284CS..EExtended strand (participates in β ladder)trans-104.2143.9-179-64.40000110.6E5 G6 L8 F30 Q31 W105E5-C22 CarbonylContact C-O 3.58Å; E5-C22 WeakPolarHBondContact CA-O 3.33Å; E5-C22 WeakPolarHBondContact CB-O 3.19Å; G6-C22 PolarHBondContact N-O 3.06Å; G6-C22 PolarHBondContact O-N 2.84Å; L8-C22 HydrophobicContact CD1-CB 4.11Å; C22-F30 HydrophobicContact CB-CE2 4.15Å; C22-F30 HydrophobicContact CB-CZ 3.87Å; C22-Q31 CarbonylContact C-O 3.51Å; C22-Q31 WeakPolarHBondContact CA-O 3.31Å; C22-W105 HydrophobicContact CB-CH2 3.59Å; C22-W105 HydrophobicContact CB-CZ2 3.9Å; C22-W105 HydrophobicContact CB-CZ3 4.48Å
23K93.5Very high87.4Confident54 Ų5459.3 Ų59.324%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-130.9123.8172.5-64.2-174.3177.7173.60109.1E5 Y21 Q31 F33E5-K23 HydrophobicContact CB-CG 3.95Å; Y21-K23 HydrophobicContact CD1-CG 4.05Å; Y21-K23 HydrophobicContact CE1-CD 4.2Å; Y21-K23 HydrophobicContact CE1-CG 3.74Å; K23-Q31 PolarHBondContact N-O 3.02Å; K23-Q31 PolarHBondContact O-N 3.46Å; K23-F33 HydrophobicContact CB-CE2 4.21Å; K23-F33 HydrophobicContact CD-CD2 4.44Å; K23-F33 HydrophobicContact CD-CE2 3.71Å; K23-F33 HydrophobicContact CD-CZ 4.2Å; K23-F33 HydrophobicContact CG-CD2 4.38Å; K23-F33 HydrophobicContact CG-CE2 3.9Å
24L92.1Very high88.2Confident0 Ų056.9 Ų56.90%026%0.264CS..EExtended strand (participates in β ladder)trans-96.9114.6165.2-175.767.4000108.4S2 I3 R4 F30 I47 W105 A108 L109 L112S2-L24 CarbonylContact C-O 3.51Å; S2-L24 VanDerWaalsContact CA-O 3.32Å; S2-L24 WeakPolarHBondContact CA-O 3.31Å; I3-L24 HydrophobicContact CB-CD2 4.49Å; I3-L24 PolarHBondContact N-O 3.01Å; R4-L24 HydrophobicContact CB-CB 4.41Å; R4-L24 PolarHBondContact N-O 3.31Å; R4-L24 PolarHBondContact O-N 3.2Å; L24-F30 HydrophobicContact CB-CD2 4.31Å; L24-F30 HydrophobicContact CD1-CB 4.03Å; L24-F30 HydrophobicContact CD1-CD2 4.04Å; L24-I47 HydrophobicContact CD1-CG1 4.08Å; L24-W105 HydrophobicContact CB-CZ3 3.9Å; L24-A108 HydrophobicContact CD2-CB 3.77Å; L24-L109 HydrophobicContact CD1-CD2 3.96Å; L24-L109 HydrophobicContact CD2-CD2 4.07Å; L24-L109 HydrophobicContact CD2-CG 4.35Å; L24-L112 HydrophobicContact CD1-CD1 3.52Å; L24-L112 HydrophobicContact CD2-CD1 3.74Å; L24-L112 HydrophobicContact CG-CD1 3.72Å
25L91.5Very high89Confident35 Ų3550.3 Ų50.318%0.18324%0.244CC..EExtended strand (participates in β ladder)trans-88.5148.6-179.3-60.7-178.4000110.9N27 G28 W29 Q31L25-N27 WeakPolarHBondContact CB-OD1 3.44Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-N27 VanDerWaalsContact O-N 3.13Å; L25-G28 PolarHBondContact O-N 3.05Å; L25-W29 HydrophobicContact CB-CB 4.32Å; L25-W29 WeakPolarHBondContact CB-O 2.99Å; L25-W29 HydrophobicContact CD1-CB 4.13Å; L25-W29 PolarHBondContact N-O 3.28Å; L25-Q31 HydrophobicContact CD1-CG 4.34Å
26N87.7Confident89.8Confident74 Ų7445.6 Ų45.640%0.39623%0.233SC..THydrogen-bonded Turntrans-62.4-21.7-179.9-16434.2000113.9M1 I3 G28 L112 Q115M1-N26 PolarHBondContact O-N 3.12Å; I3-N26 HydrophobicContact CD1-CB 4.36Å; I3-N26 HydrophobicContact CG1-CB 4.07Å; N26-G28 PolarHBondContact O-N 2.77Å; N26-L112 WeakPolarHBondContact O-CD2 3.37Å; N26-Q115 PolarHBondContact OD1-NE2 3.2Å; N26-Q115 PolarHBondContact OD1-OE1 2.63Å
27N87.4Confident90.1Very high89 Ų8945.6 Ų45.648%0.47624%0.241SC..THydrogen-bonded Turntrans-77.42.8174.664.1-2.6000113.4L25 W29L25-N27 WeakPolarHBondContact CB-OD1 3.44Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-N27 VanDerWaalsContact O-N 3.13Å; N27-W29 VanDerWaalsContact CG-CD1 3.44Å; N27-W29 PolarHBondContact OD1-N 2.83Å
28G87.5Confident90.3Very high0 Ų044.4 Ų44.40%024%0.241CC..SBendtrans91.54.8177.800000114.9L25 N26 I47L25-G28 PolarHBondContact O-N 3.05Å; N26-G28 PolarHBondContact O-N 2.77Å; G28-I47 WeakPolarHBondContact O-CB 3.41Å; G28-I47 PolarHBondContact O-N 3.24Å
29W90.7Very high90Very high93 Ų9348 Ų4835%0.35227%0.268SS..EExtended strand (participates in β ladder)trans-87127176.2-7384.4000111.4L25 N27 Q31 V45 E46L25-W29 HydrophobicContact CB-CB 4.32Å; L25-W29 WeakPolarHBondContact CB-O 2.99Å; L25-W29 HydrophobicContact CD1-CB 4.13Å; L25-W29 PolarHBondContact N-O 3.28Å; N27-W29 VanDerWaalsContact CG-CD1 3.44Å; N27-W29 PolarHBondContact OD1-N 2.83Å; W29-Q31 HydrophobicContact CB-CG 4.4Å; W29-V45 WeakPolarHBondContact CA-O 3.5Å; W29-E46 HydrophobicContact CD2-CB 4.27Å; W29-E46 HydrophobicContact CE3-CB 4.23Å; W29-E46 HydrophobicContact CH2-CB 4.16Å; W29-E46 HydrophobicContact CZ2-CB 4.16Å; W29-E46 HydrophobicContact CZ3-CB 4.18Å
30F91.7Very high89.8Confident0 Ų048.2 Ų48.20%027%0.27CS..EExtended strand (participates in β ladder)trans-101.7120.7168-177.6-94.2000109.2C22 L24 W32 S44 V45 I47 F79 I81 F94 W105C22-F30 HydrophobicContact CB-CE2 4.15Å; C22-F30 HydrophobicContact CB-CZ 3.87Å; L24-F30 HydrophobicContact CB-CD2 4.31Å; L24-F30 HydrophobicContact CD1-CB 4.03Å; L24-F30 HydrophobicContact CD1-CD2 4.04Å; F30-W32 AromaticContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CZ3 4.02Å; F30-W32 AromaticContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CZ3 4.2Å; F30-S44 WeakPolarHBondContact O-CA 3.43Å; F30-V45 PolarHBondContact N-O 3.3Å; F30-V45 PolarHBondContact O-N 2.9Å; F30-I47 HydrophobicContact CB-CD1 3.47Å; F30-I47 VanDerWaalsContact CB-CD1 3.47Å; F30-I47 HydrophobicContact CB-CG1 3.42Å; F30-I47 VanDerWaalsContact CB-CG1 3.42Å; F30-I47 HydrophobicContact CG-CD1 4.14Å; F30-I47 HydrophobicContact CG-CG1 4.45Å; F30-F79 HydrophobicContact CZ-CE2 4.41Å; F30-F79 HydrophobicContact CZ-CZ 4.45Å; F30-I81 HydrophobicContact CD1-CD1 3.41Å; F30-I81 VanDerWaalsContact CD1-CD1 3.41Å; F30-I81 HydrophobicContact CD2-CD1 4.26Å; F30-I81 HydrophobicContact CE1-CD1 3.37Å; F30-I81 HydrophobicContact CE2-CD1 4.2Å; F30-I81 HydrophobicContact CG-CD1 3.87Å; F30-I81 HydrophobicContact CZ-CD1 3.78Å; F30-F94 HydrophobicContact CE1-CE1 4.17Å; F30-F94 AromaticContact CE1-CE2 3.89Å; F30-F94 HydrophobicContact CE1-CE2 3.89Å; F30-F94 AromaticContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CZ-CE1 4.47Å; F30-F94 HydrophobicContact CZ-CE2 4.46Å; F30-F94 HydrophobicContact CZ-CZ 4.36Å; F30-W105 HydrophobicContact CD2-CZ3 4.06Å; F30-W105 AromaticContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CH2 4.03Å; F30-W105 AromaticContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CE2-CZ3 3.45Å; F30-W105 VanDerWaalsContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CZ-CZ3 4.49Å
31Q93.1Very high89.6Confident37 Ų3750.5 Ų50.517%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-124.4144-174.3-54.3-173.8-31.500109.3C22 K23 L25 W29 F33 P41 Q43 S44C22-Q31 CarbonylContact C-O 3.51Å; C22-Q31 WeakPolarHBondContact CA-O 3.31Å; K23-Q31 PolarHBondContact N-O 3.02Å; K23-Q31 PolarHBondContact O-N 3.46Å; L25-Q31 HydrophobicContact CD1-CG 4.34Å; W29-Q31 HydrophobicContact CB-CG 4.4Å; Q31-F33 HydrophobicContact CB-CE2 3.87Å; Q31-F33 HydrophobicContact CB-CZ 4.32Å; Q31-P41 HydrophobicContact CB-CB 4.07Å; Q31-Q43 WeakPolarHBondContact CA-O 3.47Å; Q31-S44 WeakPolarHBondContact CG-OG 3.37Å; Q31-S44 PolarHBondContact NE2-OG 2.83Å; Q31-S44 VanDerWaalsContact NE2-OG 3.15Å
32W93.1Very high89.4Confident7 Ų754.3 Ų54.33%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-129.6146.3169.463.389.5000111.6V20 Y21 F30 P41 K42 Q43 V45 Y83 A92 F94V20-W32 HydrophobicContact CB-CB 4.41Å; V20-W32 HydrophobicContact CG2-CB 4.36Å; Y21-W32 CarbonylContact O-C 3.59Å; Y21-W32 VanDerWaalsContact O-CA 3.25Å; Y21-W32 WeakPolarHBondContact O-CA 3.35Å; F30-W32 AromaticContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CE3 3.84Å; F30-W32 HydrophobicContact CD1-CZ3 4.02Å; F30-W32 AromaticContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CE3 3.78Å; F30-W32 HydrophobicContact CE1-CZ3 4.2Å; W32-P41 CarbonylContact O-C 3.46Å; W32-P41 WeakPolarHBondContact O-CA 3.36Å; W32-K42 PolarHBondContact O-N 2.89Å; W32-Q43 HydrophobicContact CD2-CB 4Å; W32-Q43 VanDerWaalsContact CE2-CB 3.42Å; W32-Q43 HydrophobicContact CE3-CB 4.23Å; W32-Q43 HydrophobicContact CH2-CB 3.52Å; W32-Q43 HydrophobicContact CH2-CG 3.63Å; W32-Q43 HydrophobicContact CZ2-CB 3.21Å; W32-Q43 HydrophobicContact CZ2-CG 3.73Å; W32-Q43 HydrophobicContact CZ3-CB 4Å; W32-Q43 HydrophobicContact CZ3-CG 4.25Å; W32-Q43 PolarHBondContact N-O 3.4Å; W32-Q43 VanDerWaalsContact N-O 3.12Å; W32-Q43 PolarHBondContact O-N 3.2Å; W32-V45 HydrophobicContact CH2-CG2 4.06Å; W32-V45 HydrophobicContact CZ3-CG2 3.91Å; W32-Y83 AromaticContact CH2-CD1 3.96Å; W32-Y83 HydrophobicContact CH2-CD1 3.96Å; W32-Y83 AromaticContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CH2-CE1 3.42Å; W32-Y83 VanDerWaalsContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CZ2-CD1 4.4Å; W32-Y83 AromaticContact CZ2-CE1 3.46Å; W32-Y83 HydrophobicContact CZ2-CE1 3.46Å; W32-Y83 VanDerWaalsContact CZ2-CE1 3.46Å; W32-Y83 AromaticContact CZ2-CZ 3.98Å; W32-A92 HydrophobicContact CH2-CB 3.88Å; W32-A92 HydrophobicContact CZ2-CB 4.12Å; W32-F94 HydrophobicContact CD2-CE1 4.34Å; W32-F94 AromaticContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CE3-CE1 4.47Å; W32-F94 AromaticContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CG-CE1 4.43Å; W32-F94 HydrophobicContact CG-CZ 4.5Å; W32-F94 HydrophobicContact CH2-CZ 4.31Å; W32-F94 HydrophobicContact CZ2-CZ 4.48Å; W32-F94 AromaticContact CZ3-CZ 3.98Å; W32-F94 HydrophobicContact CZ3-CZ 3.98Å
33F92.7Very high89.1Confident11 Ų1158.2 Ų58.25%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-120.5159.3-173.1-60.4-100.2000108.5V20 Y21 K23 Q31 N35 S38 S40 P41V20-F33 WeakPolarHBondContact CB-O 3.29Å; Y21-F33 HydrophobicContact CD1-CD2 4.42Å; Y21-F33 PolarHBondContact N-O 2.83Å; Y21-F33 VanDerWaalsContact N-O 3.08Å; Y21-F33 WeakPolarHBondContact O-CD2 3.47Å; Y21-F33 PolarHBondContact O-N 3.36Å; K23-F33 HydrophobicContact CB-CE2 4.21Å; K23-F33 HydrophobicContact CD-CD2 4.44Å; K23-F33 HydrophobicContact CD-CE2 3.71Å; K23-F33 HydrophobicContact CD-CZ 4.2Å; K23-F33 HydrophobicContact CG-CD2 4.38Å; K23-F33 HydrophobicContact CG-CE2 3.9Å; Q31-F33 HydrophobicContact CB-CE2 3.87Å; Q31-F33 HydrophobicContact CB-CZ 4.32Å; F33-N35 WeakPolarHBondContact CB-O 3.16Å; F33-S38 WeakPolarHBondContact CD1-O 3.4Å; F33-S40 VanDerWaalsContact CD1-O 3.29Å; F33-S40 WeakPolarHBondContact CD1-O 3.45Å; F33-P41 HydrophobicContact CD1-CB 4.19Å; F33-P41 HydrophobicContact CE1-CB 3.76Å; F33-P41 HydrophobicContact CE1-CG 4.32Å; F33-P41 VanDerWaalsContact CE1-N 3.31Å; F33-P41 HydrophobicContact CE2-CB 4.24Å; F33-P41 HydrophobicContact CZ-CB 3.77Å; F33-P41 HydrophobicContact CZ-CG 4.39Å
34E88.7Confident88.9Confident102 Ų10257.4 Ų57.448%0.47732%0.321SS..SBendtrans-61.4-50.7171-170.3156.1169.400110.5K42E34-K42 HydrophobicContact CB-CD 4.29Å; E34-K42 IonicContact OE1-NZ 3.9Å; E34-K42 WeakPolarHBondContact OE2-CE 3.44Å; E34-K42 IonicContact OE2-NZ 2.75Å; E34-K42 PolarHBondContact OE2-NZ 3.47Å
35N88.1Confident88.7Confident76 Ų7657.6 Ų57.641%0.40632%0.322SS..SBendtrans-138.9166.3179.2-64.6-41.2000110.1F33 S37 S38F33-N35 WeakPolarHBondContact CB-O 3.16Å; N35-S37 PolarHBondContact O-N 3.22Å; N35-S38 PolarHBondContact N-OG 3.18Å; N35-S38 VanDerWaalsContact N-OG 3.14Å; N35-S38 WeakPolarHBondContact O-CB 3.3Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 VanDerWaalsContact O-N 3.08Å; N35-S38 PolarHBondContact O-OG 3.45Å
36A88.4Confident88.5Confident46 Ų4658 Ų5838%0.3832%0.323SS..THydrogen-bonded Turntrans-60.8-26.3175.900000113.3Y7 Y21Y7-A36 PolarHBondContact OH-N 3.06Å; Y21-A36 HydrophobicContact CD1-CB 4.25Å; Y21-A36 HydrophobicContact CD2-CB 3.82Å; Y21-A36 HydrophobicContact CE1-CB 4.41Å; Y21-A36 HydrophobicContact CE2-CB 3.98Å; Y21-A36 HydrophobicContact CG-CB 3.94Å
37S87.2Confident88.4Confident104 Ų10454.5 Ų54.573%0.72730%0.304SS*.THydrogen-bonded Turntrans-82.7-7.4177.456.20000114.3N35 T39N35-S37 PolarHBondContact O-N 3.22Å; S37-T39 PolarHBondContact O-N 3.3Å
38S85.9Confident88.1Confident34 Ų3454.9 Ų54.924%0.23830%0.299CS..  trans-68.2131.3-179.9-590000110.7F33 N35F33-S38 WeakPolarHBondContact CD1-O 3.4Å; N35-S38 PolarHBondContact N-OG 3.18Å; N35-S38 VanDerWaalsContact N-OG 3.14Å; N35-S38 WeakPolarHBondContact O-CB 3.3Å; N35-S38 PolarHBondContact O-N 3.44Å; N35-S38 VanDerWaalsContact O-N 3.08Å; N35-S38 PolarHBondContact O-OG 3.45Å
39T81.5Confident87.8Confident143 Ų14362.7 Ų62.788%0.87733%0.329SS*.SBendtrans-78.8-25.8179.951.70000112.8S37S37-T39 PolarHBondContact O-N 3.3Å
40S85.8Confident87.1Confident80 Ų8058.3 Ų58.356%0.55931%0.312SS*.SBendtrans-118.1136.8-179.454.90000112.1F33F33-S40 VanDerWaalsContact CD1-O 3.29Å; F33-S40 WeakPolarHBondContact CD1-O 3.45Å
41P87.7Confident86.3Confident48 Ų4859.2 Ų59.231%0.31232%0.319SS..  trans-70.7138.7174.128.8-32.5000109.9Q31 W32 F33 Q43 S44Q31-P41 HydrophobicContact CB-CB 4.07Å; W32-P41 CarbonylContact O-C 3.46Å; W32-P41 WeakPolarHBondContact O-CA 3.36Å; F33-P41 HydrophobicContact CD1-CB 4.19Å; F33-P41 HydrophobicContact CE1-CB 3.76Å; F33-P41 HydrophobicContact CE1-CG 4.32Å; F33-P41 VanDerWaalsContact CE1-N 3.31Å; F33-P41 HydrophobicContact CE2-CB 4.24Å; F33-P41 HydrophobicContact CZ-CB 3.77Å; F33-P41 HydrophobicContact CZ-CG 4.39Å; P41-Q43 PolarHBondContact O-N 3.36Å; P41-S44 WeakPolarHBondContact CG-OG 3.15Å
42K88.7Confident84.9Confident108 Ų10861.1 Ų61.147%0.4734%0.337SS..SBendtrans-62.7-34.7169.7-81-171.2162.31680111.2W32 E34W32-K42 PolarHBondContact O-N 2.89Å; E34-K42 HydrophobicContact CB-CD 4.29Å; E34-K42 IonicContact OE1-NZ 3.9Å; E34-K42 WeakPolarHBondContact OE2-CE 3.44Å; E34-K42 IonicContact OE2-NZ 2.75Å; E34-K42 PolarHBondContact OE2-NZ 3.47Å
43Q87.7Confident83.7Confident81 Ų8164.7 Ų64.738%0.37935%0.353SS..EExtended strand (participates in β ladder)trans-154.8153.6171-163.478-50.100110.6Q31 W32 P41 V45 Y83Q31-Q43 WeakPolarHBondContact CA-O 3.47Å; W32-Q43 HydrophobicContact CD2-CB 4Å; W32-Q43 VanDerWaalsContact CE2-CB 3.42Å; W32-Q43 HydrophobicContact CE3-CB 4.23Å; W32-Q43 HydrophobicContact CH2-CB 3.52Å; W32-Q43 HydrophobicContact CH2-CG 3.63Å; W32-Q43 HydrophobicContact CZ2-CB 3.21Å; W32-Q43 HydrophobicContact CZ2-CG 3.73Å; W32-Q43 HydrophobicContact CZ3-CB 4Å; W32-Q43 HydrophobicContact CZ3-CG 4.25Å; W32-Q43 PolarHBondContact N-O 3.4Å; W32-Q43 VanDerWaalsContact N-O 3.12Å; W32-Q43 PolarHBondContact O-N 3.2Å; P41-Q43 PolarHBondContact O-N 3.36Å; Q43-V45 HydrophobicContact CG-CG2 4.3Å; Q43-Y83 HydrophobicContact CB-CE1 4.28Å; Q43-Y83 HydrophobicContact CG-CD1 3.6Å; Q43-Y83 HydrophobicContact CG-CE1 3.54Å
44S89.1Confident82.6Confident38 Ų3866.7 Ų66.727%0.26636%0.364SS..EExtended strand (participates in β ladder)trans-127.3133.9168.6-57.30000109.9F30 Q31 P41F30-S44 WeakPolarHBondContact O-CA 3.43Å; Q31-S44 WeakPolarHBondContact CG-OG 3.37Å; Q31-S44 PolarHBondContact NE2-OG 2.83Å; Q31-S44 VanDerWaalsContact NE2-OG 3.15Å; P41-S44 WeakPolarHBondContact CG-OG 3.15Å
45V87.7Confident81.4Confident3 Ų362.5 Ų62.52%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-127.2133.2177.3177.60000109.3W29 F30 W32 Q43 I47 V50 I81 L82 Y83W29-V45 WeakPolarHBondContact CA-O 3.5Å; F30-V45 PolarHBondContact N-O 3.3Å; F30-V45 PolarHBondContact O-N 2.9Å; W32-V45 HydrophobicContact CH2-CG2 4.06Å; W32-V45 HydrophobicContact CZ3-CG2 3.91Å; Q43-V45 HydrophobicContact CG-CG2 4.3Å; V45-I47 PolarHBondContact O-N 2.67Å; V45-V50 HydrophobicContact CG1-CG1 4.15Å; V45-V50 HydrophobicContact CG1-CG2 3.67Å; V45-I81 HydrophobicContact CB-CG2 4.3Å; V45-I81 HydrophobicContact CG1-CG2 3.88Å; V45-I81 HydrophobicContact CG2-CG2 4.49Å; V45-L82 VanDerWaalsContact CG1-O 3.28Å; V45-L82 WeakPolarHBondContact CG1-O 3.18Å; V45-Y83 HydrophobicContact CG2-CD1 4.15Å
46E87.2Confident80.1Confident44 Ų4462.1 Ų62.121%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-81.5102.4173.3-169179173.600109.9W29 R48 R49 V50W29-E46 HydrophobicContact CD2-CB 4.27Å; W29-E46 HydrophobicContact CE3-CB 4.23Å; W29-E46 HydrophobicContact CH2-CB 4.16Å; W29-E46 HydrophobicContact CZ2-CB 4.16Å; W29-E46 HydrophobicContact CZ3-CB 4.18Å; E46-R48 PolarHBondContact O-N 3.41Å; E46-R49 HydrophobicContact CB-CG 4.27Å; E46-R49 HydrophobicContact CG-CG 4.17Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NE 3.2Å; E46-R49 WeakPolarHBondContact OE2-CD 3.28Å; E46-R49 IonicContact OE2-CZ 3.24Å; E46-R49 VanDerWaalsContact OE2-CZ 3.24Å; E46-R49 IonicContact OE2-NE 2.65Å; E46-R49 PolarHBondContact OE2-NE 3.44Å; E46-R49 IonicContact OE2-NH2 3.98Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; E46-V50 PolarHBondContact O-N 3.35Å
47I86.2Confident78.6Confident0 Ų060.8 Ų60.80%034%0.341CS..Hα-helixtrans-58.5-36-174.9-66.7-58.3000111.9L24 G28 F30 V45 R49 V50 A51 L54 I81 L109 F113L24-I47 HydrophobicContact CD1-CG1 4.08Å; G28-I47 WeakPolarHBondContact O-CB 3.41Å; G28-I47 PolarHBondContact O-N 3.24Å; F30-I47 HydrophobicContact CB-CD1 3.47Å; F30-I47 VanDerWaalsContact CB-CD1 3.47Å; F30-I47 HydrophobicContact CB-CG1 3.42Å; F30-I47 VanDerWaalsContact CB-CG1 3.42Å; F30-I47 HydrophobicContact CG-CD1 4.14Å; F30-I47 HydrophobicContact CG-CG1 4.45Å; V45-I47 PolarHBondContact O-N 2.67Å; I47-R49 PolarHBondContact O-N 3.09Å; I47-V50 HydrophobicContact CD1-CG2 4.27Å; I47-V50 CarbonylContact O-C 3.41Å; I47-V50 PolarHBondContact O-N 3.49Å; I47-V50 VanDerWaalsContact O-N 3.1Å; I47-A51 WeakPolarHBondContact O-CA 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.45Å; I47-A51 PolarHBondContact O-N 3.06Å; I47-L54 HydrophobicContact CG2-CD1 4.29Å; I47-I81 HydrophobicContact CD1-CD1 4.02Å; I47-I81 HydrophobicContact CD1-CG1 4.45Å; I47-I81 HydrophobicContact CD1-CG2 4.01Å; I47-L109 HydrophobicContact CD1-CD2 4.3Å; I47-L109 HydrophobicContact CG1-CD2 4.08Å; I47-L109 HydrophobicContact CG2-CD2 3.8Å; I47-F113 HydrophobicContact CG2-CE1 3.86Å; I47-F113 HydrophobicContact CG2-CZ 3.53Å
48R81.9Confident76.6Confident98 Ų9863.2 Ų63.237%0.3734%0.341SS..Hα-helixtrans-61.1-28.1178.9-66.2-177.7-180172.11.8113E46E46-R48 PolarHBondContact O-N 3.41Å
49R80.9Confident75.1Confident163 Ų16364.8 Ų64.862%0.61535%0.35SS*.Hα-helixtrans-82.2-29.9176.1-63.4-168-169.6-166.16113E46 I47 P85E46-R49 HydrophobicContact CB-CG 4.27Å; E46-R49 HydrophobicContact CG-CG 4.17Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NE 3.2Å; E46-R49 WeakPolarHBondContact OE2-CD 3.28Å; E46-R49 IonicContact OE2-CZ 3.24Å; E46-R49 VanDerWaalsContact OE2-CZ 3.24Å; E46-R49 IonicContact OE2-NE 2.65Å; E46-R49 PolarHBondContact OE2-NE 3.44Å; E46-R49 IonicContact OE2-NH2 3.98Å; E46-R49 PolarHBondContact OE2-NH2 3.26Å; I47-R49 PolarHBondContact O-N 3.09Å; R49-P85 HydrophobicContact CB-CG 4.39Å
50V76.4Confident73.6Confident2 Ų258 Ų581%0.01231%0.308CS..Hα-helixtrans-1055.1-175.7-58.50000113.4V45 E46 I47 S52 F53 L54 I81 L82V45-V50 HydrophobicContact CG1-CG1 4.15Å; V45-V50 HydrophobicContact CG1-CG2 3.67Å; E46-V50 PolarHBondContact O-N 3.35Å; I47-V50 HydrophobicContact CD1-CG2 4.27Å; I47-V50 CarbonylContact O-C 3.41Å; I47-V50 PolarHBondContact O-N 3.49Å; I47-V50 VanDerWaalsContact O-N 3.1Å; V50-S52 PolarHBondContact O-N 3.34Å; V50-F53 CarbonylContact O-C 3.48Å; V50-F53 WeakPolarHBondContact O-CA 3.18Å; V50-F53 PolarHBondContact O-N 2.87Å; V50-L54 PolarHBondContact O-N 2.87Å; V50-I81 HydrophobicContact CG2-CG2 4.16Å; V50-L82 HydrophobicContact CB-CB 4.42Å; V50-L82 HydrophobicContact CG1-CB 4.33Å
51A73.5Confident71.8Confident18 Ų1859.4 Ų59.415%0.14931%0.306CS..G310 helixtrans-52.2-41.6-177.700000112.4I47 F53 L54 F113I47-A51 WeakPolarHBondContact O-CA 3.32Å; I47-A51 WeakPolarHBondContact O-CB 3.45Å; I47-A51 PolarHBondContact O-N 3.06Å; A51-F53 PolarHBondContact O-N 3.46Å; A51-L54 PolarHBondContact O-N 2.87Å; A51-F113 HydrophobicContact CB-CD1 4.25Å; A51-F113 HydrophobicContact CB-CE1 3.36Å; A51-F113 HydrophobicContact CB-CZ 3.52Å
52S65.6Low69.9Low77 Ų7765.7 Ų65.754%0.53832%0.323SS..G310 helixtrans-62-12.8177.9-410000114.1V50V50-S52 PolarHBondContact O-N 3.34Å
53F66.2Low68.2Low83 Ų8362.3 Ų62.336%0.36431%0.312SS..G310 helixtrans-122.99.4-173.9-55.3-83.5000113.5V50 A51 A55 L82 P85V50-F53 CarbonylContact O-C 3.48Å; V50-F53 WeakPolarHBondContact O-CA 3.18Å; V50-F53 PolarHBondContact O-N 2.87Å; A51-F53 PolarHBondContact O-N 3.46Å; F53-A55 PolarHBondContact O-N 2.79Å; F53-L82 HydrophobicContact CB-CB 4.42Å; F53-L82 HydrophobicContact CB-CD1 3.23Å; F53-L82 HydrophobicContact CB-CG 3.71Å; F53-L82 HydrophobicContact CD1-CD1 3.64Å; F53-L82 HydrophobicContact CD2-CD1 3.99Å; F53-L82 HydrophobicContact CE1-CD1 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.37Å; F53-L82 HydrophobicContact CG-CG 4.36Å; F53-P85 HydrophobicContact CE2-CB 4.02Å
54L69.2Low66.2Low52 Ų5263.6 Ų63.627%0.27233%0.327SS..  trans-67.9126.3173.1-67.7175.3000109.4I47 V50 A51 I81 F113I47-L54 HydrophobicContact CG2-CD1 4.29Å; V50-L54 PolarHBondContact O-N 2.87Å; A51-L54 PolarHBondContact O-N 2.87Å; L54-I81 HydrophobicContact CD2-CB 4.36Å; L54-I81 HydrophobicContact CD2-CG1 3.74Å; L54-I81 HydrophobicContact CD2-CG2 4.49Å; L54-F113 HydrophobicContact CD1-CE2 4.17Å; L54-F113 HydrophobicContact CD1-CZ 3.89Å
55A63.9Low64.3Low15 Ų1566.6 Ų66.612%0.12435%0.347CS..EExtended strand (participates in β ladder)trans-111.1131174.500000109.9F53 V63 F79 G80 M91F53-A55 PolarHBondContact O-N 2.79Å; A55-V63 HydrophobicContact CB-CG2 4.46Å; A55-F79 CarbonylContact O-C 3.56Å; A55-F79 VanDerWaalsContact O-CA 3.23Å; A55-F79 WeakPolarHBondContact O-CA 3.29Å; A55-F79 WeakPolarHBondContact O-CB 3.14Å; A55-G80 PolarHBondContact N-O 3.25Å; A55-G80 PolarHBondContact O-N 3.22Å; A55-M91 HydrophobicContact CB-CE 3.56Å
56S61.2Low62.9Low67 Ų6768.5 Ų68.547%0.46936%0.357SS..EExtended strand (participates in β ladder)trans-139.3142.6173.561.10000110.4
57G56.7Low61.5Low19 Ų1966.5 Ų66.520%0.19635%0.348CS..SBendtrans78-152.8173.600000114.8P59 F60G57-P59 VanDerWaalsContact C-N 3.34Å; G57-P59 WeakPolarHBondContact O-CD 3.27Å; G57-P59 VanDerWaalsContact O-N 3.08Å; G57-F60 VanDerWaalsContact O-CB 3.24Å; G57-F60 WeakPolarHBondContact O-CB 3.36Å; G57-F60 VanDerWaalsContact O-CD2 3.25Å; G57-F60 WeakPolarHBondContact O-CD2 3.46Å; G57-F60 PolarHBondContact O-N 3.28Å
58E46.2Very low60Low155 Ų15572.6 Ų72.672%0.72439%0.385SS*.G310 helixtrans-50.2-29.2-171.5-146.9173.2-172.700117.9F60E58-F60 PolarHBondContact O-N 3.13Å
59P53Low58.6Low66 Ų6671 Ų7143%0.42939%0.389SS..G310 helixtrans-62-7.1170.623.6-34.5000114.2G57 H61 R62G57-P59 VanDerWaalsContact C-N 3.34Å; G57-P59 WeakPolarHBondContact O-CD 3.27Å; G57-P59 VanDerWaalsContact O-N 3.08Å; P59-H61 PolarHBondContact O-N 2.76Å; P59-H61 VanDerWaalsContact O-N 3.13Å; P59-R62 PolarHBondContact O-N 3.07Å
60F51.3Low57.5Low0 Ų064.2 Ų64.20%036%0.364CS..G310 helixtrans-44-42.1172.7-115.3-103.5000114.2G57 E58 R62 P67 I75 A78 W93G57-F60 VanDerWaalsContact O-CB 3.24Å; G57-F60 WeakPolarHBondContact O-CB 3.36Å; G57-F60 VanDerWaalsContact O-CD2 3.25Å; G57-F60 WeakPolarHBondContact O-CD2 3.46Å; G57-F60 PolarHBondContact O-N 3.28Å; E58-F60 PolarHBondContact O-N 3.13Å; F60-R62 PolarHBondContact O-N 3.02Å; F60-P67 HydrophobicContact CE1-CG 4.31Å; F60-I75 HydrophobicContact CB-CG2 3.43Å; F60-I75 VanDerWaalsContact CB-CG2 3.43Å; F60-I75 HydrophobicContact CD1-CG2 3.91Å; F60-I75 HydrophobicContact CG-CG2 3.74Å; F60-A78 HydrophobicContact CD1-CB 4.41Å; F60-A78 HydrophobicContact CE1-CB 3.48Å; F60-A78 VanDerWaalsContact CE1-CB 3.48Å; F60-A78 HydrophobicContact CE2-CB 3.74Å; F60-A78 WeakPolarHBondContact CE2-O 3.29Å; F60-A78 VanDerWaalsContact CZ-C 3.41Å; F60-A78 HydrophobicContact CZ-CB 3.08Å; F60-W93 HydrophobicContact CD1-CE3 4.43Å; F60-W93 HydrophobicContact CD1-CZ3 4.14Å; F60-W93 HydrophobicContact CD2-CZ3 4.08Å; F60-W93 HydrophobicContact CE1-CD2 4.38Å; F60-W93 AromaticContact CE1-CE3 3.57Å; F60-W93 HydrophobicContact CE1-CE3 3.57Å; F60-W93 AromaticContact CE1-CZ3 3.68Å; F60-W93 HydrophobicContact CE1-CZ3 3.68Å; F60-W93 AromaticContact CE2-CE3 3.94Å; F60-W93 HydrophobicContact CE2-CE3 3.94Å; F60-W93 AromaticContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CG-CZ3 4.32Å; F60-W93 HydrophobicContact CZ-CD2 4.38Å; F60-W93 AromaticContact CZ-CE3 3.25Å; F60-W93 HydrophobicContact CZ-CE3 3.25Å; F60-W93 AromaticContact CZ-CZ3 3.35Å; F60-W93 HydrophobicContact CZ-CZ3 3.35Å
61H47Very low56.5Low110 Ų11066.6 Ų66.651%0.50939%0.385SS..G310 helixtrans-72.7-16.6-176.8-67-80000113.6P59 I75P59-H61 PolarHBondContact O-N 2.76Å; P59-H61 VanDerWaalsContact O-N 3.13Å; H61-I75 WeakPolarHBondContact CE1-CD1 3.35Å; H61-I75 WeakPolarHBondContact NE2-CD1 3.25Å
62R48.4Very low55.7Low180 Ų18071.3 Ų71.368%0.67941%0.412SS*.G310 helixtrans-101.4-4.5-173.4-60.1-172.5-179-178.52.3113.2P59 F60P59-R62 PolarHBondContact O-N 3.07Å; F60-R62 PolarHBondContact O-N 3.02Å
63V53.4Low55.2Low38 Ų3871.4 Ų71.423%0.2341%0.412CS..SBendtrans-90.9127.1179.2-168.70000110.1A55 C65 N66 M91 W93A55-V63 HydrophobicContact CB-CG2 4.46Å; V63-C65 PolarHBondContact O-N 3.47Å; V63-N66 PolarHBondContact O-N 2.81Å; V63-M91 HydrophobicContact CG1-SD 3.69Å; V63-W93 HydrophobicContact CB-CH2 3.62Å; V63-W93 HydrophobicContact CB-CZ2 3.78Å; V63-W93 HydrophobicContact CG1-CH2 3.8Å; V63-W93 HydrophobicContact CG1-CZ2 3.67Å; V63-W93 HydrophobicContact CG2-CH2 3.88Å
64P44.8Very low55.1Low108 Ų10870.5 Ų70.570%0.70141%0.411SS*.THydrogen-bonded Turntrans-58.2138.2171.822.4-29.6000109.5
65C49.6Very low54.8Low100 Ų10068.6 Ų68.668%0.67640%0.401SS*.THydrogen-bonded Turntrans81.926.2-170.5-48.20000116.6V63 W93V63-C65 PolarHBondContact O-N 3.47Å; C65-W93 PolarHBondContact O-NE1 2.79Å
66N57.8Low54.9Low44 Ų4471 Ų7124%0.23542%0.416CS..  trans-52.8130.1169.3-176.2-1.9000111.6V63 T68V63-N66 PolarHBondContact O-N 2.81Å; N66-T68 PolarHBondContact O-N 2.85Å
67P58.1Low55.6Low2 Ų269.1 Ų69.11%0.01340%0.4CS..  trans-59.39917025.4-35.8000111.3W11 W17 F60 S69 Q70W11-P67 HydrophobicContact CB-CB 4.48Å; W11-P67 HydrophobicContact CD2-CB 3.49Å; W11-P67 VanDerWaalsContact CD2-CB 3.49Å; W11-P67 HydrophobicContact CE3-CB 3.83Å; W11-P67 HydrophobicContact CG-CB 3.83Å; W11-P67 HydrophobicContact CH2-CB 4.26Å; W11-P67 HydrophobicContact CZ2-CB 3.93Å; W11-P67 HydrophobicContact CZ3-CB 4.25Å; W17-P67 HydrophobicContact CH2-CB 4.3Å; W17-P67 HydrophobicContact CH2-CG 4.03Å; W17-P67 HydrophobicContact CZ2-CB 3.52Å; W17-P67 HydrophobicContact CZ2-CG 3.52Å; F60-P67 HydrophobicContact CE1-CG 4.31Å; P67-S69 PolarHBondContact O-N 2.76Å; P67-Q70 PolarHBondContact O-N 2.96Å
68T55.8Low56.6Low127 Ų12768.2 Ų68.278%0.77939%0.391SS*.THydrogen-bonded Turntrans-64.2-9.2-175.7-23.30000114.1N66N66-T68 PolarHBondContact O-N 2.85Å
69S52.7Low58.2Low66 Ų6661.3 Ų61.346%0.46236%0.358SS..THydrogen-bonded Turntrans-98.3-3.6-176.672.50000114.4W11 W17 P67 A71W11-S69 WeakPolarHBondContact CH2-OG 3.29Å; W11-S69 WeakPolarHBondContact CZ3-OG 3.24Å; W17-S69 PolarHBondContact NE1-OG 3.26Å; P67-S69 PolarHBondContact O-N 2.76Å; S69-A71 PolarHBondContact O-N 3.2Å
70Q56.6Low59.6Low19 Ų1958.2 Ų58.29%0.08934%0.338CS..  trans-74.8127.3-173.6-162.316317.600109.6W17 P67 T72 D74 I75W17-Q70 HydrophobicContact CZ2-CB 4.37Å; W17-Q70 HydrophobicContact CZ2-CG 4.28Å; P67-Q70 PolarHBondContact O-N 2.96Å; Q70-T72 PolarHBondContact O-N 2.65Å; Q70-D74 HydrophobicContact CG-CB 3.55Å; Q70-D74 PolarHBondContact NE2-O 3.06Å; Q70-I75 HydrophobicContact CB-CG1 4.3Å; Q70-I75 HydrophobicContact CG-CG1 4.09Å
71A54.7Low61.1Low53 Ų5358.2 Ų58.244%0.43834%0.338SS..  trans-56.7137.5167.500000107.8S69 S73 D74S69-A71 PolarHBondContact O-N 3.2Å; A71-S73 PolarHBondContact O-N 3.29Å; A71-D74 PolarHBondContact O-N 3.25Å
72T57Low62.6Low117 Ų11754 Ų5472%0.71832%0.32SS*.THydrogen-bonded Turntrans-51.5-24.6-177-46.90000112.9Q70Q70-T72 PolarHBondContact O-N 2.65Å
73S56.4Low64.1Low79 Ų7948.4 Ų48.455%0.55230%0.299SS*.THydrogen-bonded Turntrans-65.7-27.7174.655.20000115.4A71 P76A71-S73 PolarHBondContact O-N 3.29Å; S73-P76 WeakPolarHBondContact O-CD 3.49Å; S73-P76 WeakPolarHBondContact O-CG 3.46Å
74D63.4Low64.8Low64 Ų6447 Ų4734%0.34229%0.291SS..THydrogen-bonded Turntrans-98.2-14.6-169.9-58.5-3.2000112Q70 A71 L77 A78Q70-D74 HydrophobicContact CG-CB 3.55Å; Q70-D74 PolarHBondContact NE2-O 3.06Å; A71-D74 PolarHBondContact O-N 3.25Å; D74-L77 CarbonylContact O-C 3.52Å; D74-L77 WeakPolarHBondContact O-CA 3.34Å; D74-L77 WeakPolarHBondContact O-CB 3.34Å; D74-L77 PolarHBondContact O-N 3.39Å; D74-A78 PolarHBondContact O-N 3.21Å
75I63.5Low65.9Low11 Ų1145.2 Ų45.26%0.05628%0.28CS..G310 helixtrans-55.8-45.2175.6-57.5-177.7000112.5F60 H61 Q70 L77 A78F60-I75 HydrophobicContact CB-CG2 3.43Å; F60-I75 VanDerWaalsContact CB-CG2 3.43Å; F60-I75 HydrophobicContact CD1-CG2 3.91Å; F60-I75 HydrophobicContact CG-CG2 3.74Å; H61-I75 WeakPolarHBondContact CE1-CD1 3.35Å; H61-I75 WeakPolarHBondContact NE2-CD1 3.25Å; Q70-I75 HydrophobicContact CB-CG1 4.3Å; Q70-I75 HydrophobicContact CG-CG1 4.09Å; I75-L77 PolarHBondContact O-N 2.92Å; I75-A78 PolarHBondContact O-N 3.03Å
76P65.1Low66.7Low66 Ų6646 Ų4643%0.42927%0.274SS..G310 helixtrans-65-18.917526-36000113.3S73 A78 L102S73-P76 WeakPolarHBondContact O-CD 3.49Å; S73-P76 WeakPolarHBondContact O-CG 3.46Å; P76-A78 VanDerWaalsContact C-N 3.34Å; P76-L102 VanDerWaalsContact O-CD2 3.27Å; P76-L102 WeakPolarHBondContact O-CD2 3.49Å
77L76.2Confident66.6Low28 Ų2852 Ų5215%0.14730%0.302CS..G310 helixtrans-91.97.5179.5-61.2-179.5000113.5D74 I75 C96 Q99D74-L77 CarbonylContact O-C 3.52Å; D74-L77 WeakPolarHBondContact O-CA 3.34Å; D74-L77 WeakPolarHBondContact O-CB 3.34Å; D74-L77 PolarHBondContact O-N 3.39Å; I75-L77 PolarHBondContact O-N 2.92Å; L77-C96 VanDerWaalsContact O-CB 3.29Å; L77-C96 WeakPolarHBondContact O-CB 3.23Å; L77-C96 PolarHBondContact O-N 2.8Å; L77-Q99 HydrophobicContact CD2-CB 4.02Å; L77-Q99 VanDerWaalsContact CD2-OE1 3.25Å
78A77.2Confident66.8Low0 Ų055.9 Ų55.90%034%0.343CS..EExtended strand (participates in β ladder)trans-113.4153.7-174.400000112.4F60 D74 I75 P76 F94 A95F60-A78 HydrophobicContact CD1-CB 4.41Å; F60-A78 HydrophobicContact CE1-CB 3.48Å; F60-A78 VanDerWaalsContact CE1-CB 3.48Å; F60-A78 HydrophobicContact CE2-CB 3.74Å; F60-A78 WeakPolarHBondContact CE2-O 3.29Å; F60-A78 VanDerWaalsContact CZ-C 3.41Å; F60-A78 HydrophobicContact CZ-CB 3.08Å; D74-A78 PolarHBondContact O-N 3.21Å; I75-A78 PolarHBondContact O-N 3.03Å; P76-A78 VanDerWaalsContact C-N 3.34Å; A78-F94 CarbonylContact C-O 3.59Å; A78-F94 WeakPolarHBondContact CA-O 3.43Å; A78-F94 VanDerWaalsContact CB-O 3.29Å; A78-F94 WeakPolarHBondContact CB-O 3.07Å; A78-A95 HydrophobicContact CB-CB 4.19Å
79F81Confident67.5Low10 Ų1051 Ų514%0.04431%0.312CS..EExtended strand (participates in β ladder)trans-142.2155.1174.367.3-89.2000109.8L8 F30 A55 I81 F94 L102L8-F79 HydrophobicContact CD1-CE1 3.95Å; L8-F79 HydrophobicContact CD1-CZ 3.62Å; F30-F79 HydrophobicContact CZ-CE2 4.41Å; F30-F79 HydrophobicContact CZ-CZ 4.45Å; A55-F79 CarbonylContact O-C 3.56Å; A55-F79 VanDerWaalsContact O-CA 3.23Å; A55-F79 WeakPolarHBondContact O-CA 3.29Å; A55-F79 WeakPolarHBondContact O-CB 3.14Å; F79-I81 HydrophobicContact CD2-CD1 4.27Å; F79-I81 HydrophobicContact CD2-CG1 4.15Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 4.12Å; F79-F94 HydrophobicContact CD1-CB 4.29Å; F79-F94 HydrophobicContact CD2-CB 4.33Å; F79-F94 HydrophobicContact CD2-CD2 4.33Å; F79-F94 HydrophobicContact CE1-CB 3.87Å; F79-F94 HydrophobicContact CE2-CB 3.9Å; F79-F94 AromaticContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CG 4.08Å; F79-F94 HydrophobicContact CZ-CB 3.67Å; F79-F94 HydrophobicContact CZ-CD2 4.33Å; F79-F94 HydrophobicContact CZ-CG 4.12Å; F79-F94 PolarHBondContact N-O 2.84Å; F79-F94 PolarHBondContact O-N 3.2Å; F79-F94 VanDerWaalsContact O-O 3.08Å; F79-L102 HydrophobicContact CD1-CD1 3.87Å
80G81.6Confident68.4Low0 Ų054.1 Ų54.10%032%0.32CS..EExtended strand (participates in β ladder)trans-127.1147177.700000113.1A55 M91 A92A55-G80 PolarHBondContact N-O 3.25Å; A55-G80 PolarHBondContact O-N 3.22Å; G80-M91 VanDerWaalsContact C-CE 3.47Å; G80-M91 VanDerWaalsContact CA-CE 3.47Å; G80-A92 CarbonylContact C-O 3.52Å; G80-A92 VanDerWaalsContact CA-O 3.27Å; G80-A92 WeakPolarHBondContact CA-O 3.42Å
81I82.5Confident69.4Low0 Ų054.7 Ų54.70%032%0.323CS..EExtended strand (participates in β ladder)trans-124.8126.3-177.9-62.6172.8000108.4F30 V45 I47 V50 L54 F79 A92 F94F30-I81 HydrophobicContact CD1-CD1 3.41Å; F30-I81 VanDerWaalsContact CD1-CD1 3.41Å; F30-I81 HydrophobicContact CD2-CD1 4.26Å; F30-I81 HydrophobicContact CE1-CD1 3.37Å; F30-I81 HydrophobicContact CE2-CD1 4.2Å; F30-I81 HydrophobicContact CG-CD1 3.87Å; F30-I81 HydrophobicContact CZ-CD1 3.78Å; V45-I81 HydrophobicContact CB-CG2 4.3Å; V45-I81 HydrophobicContact CG1-CG2 3.88Å; V45-I81 HydrophobicContact CG2-CG2 4.49Å; I47-I81 HydrophobicContact CD1-CD1 4.02Å; I47-I81 HydrophobicContact CD1-CG1 4.45Å; I47-I81 HydrophobicContact CD1-CG2 4.01Å; V50-I81 HydrophobicContact CG2-CG2 4.16Å; L54-I81 HydrophobicContact CD2-CB 4.36Å; L54-I81 HydrophobicContact CD2-CG1 3.74Å; L54-I81 HydrophobicContact CD2-CG2 4.49Å; F79-I81 HydrophobicContact CD2-CD1 4.27Å; F79-I81 HydrophobicContact CD2-CG1 4.15Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 4.12Å; I81-A92 PolarHBondContact N-O 3.15Å; I81-A92 PolarHBondContact O-N 2.87Å; I81-F94 HydrophobicContact CB-CE2 4.3Å; I81-F94 HydrophobicContact CD1-CD2 4.25Å; I81-F94 HydrophobicContact CD1-CE2 3.98Å; I81-F94 HydrophobicContact CG1-CD2 4.47Å; I81-F94 HydrophobicContact CG1-CE2 4.32Å
82L79.3Confident70.7Confident23 Ų2352.2 Ų52.212%0.1230%0.303CS..EExtended strand (participates in β ladder)trans-72.2144.4170.1-69.2-171.3000110.9V45 V50 F53 G84 M91V45-L82 VanDerWaalsContact CG1-O 3.28Å; V45-L82 WeakPolarHBondContact CG1-O 3.18Å; V50-L82 HydrophobicContact CB-CB 4.42Å; V50-L82 HydrophobicContact CG1-CB 4.33Å; F53-L82 HydrophobicContact CB-CB 4.42Å; F53-L82 HydrophobicContact CB-CD1 3.23Å; F53-L82 HydrophobicContact CB-CG 3.71Å; F53-L82 HydrophobicContact CD1-CD1 3.64Å; F53-L82 HydrophobicContact CD2-CD1 3.99Å; F53-L82 HydrophobicContact CE1-CD1 4.45Å; F53-L82 HydrophobicContact CG-CD1 3.37Å; F53-L82 HydrophobicContact CG-CG 4.36Å; L82-G84 PolarHBondContact O-N 2.87Å; L82-M91 HydrophobicContact CD2-CB 3.91Å; L82-M91 HydrophobicContact CD2-CG 4.07Å; L82-M91 HydrophobicContact CD2-SD 4.24Å
83Y78.6Confident71.9Confident62 Ų6246.8 Ų46.824%0.24327%0.269CS..SBendtrans-68.6-16.3173.1-66.7-82.7000113.6W32 Q43 V45 Q90 A92W32-Y83 AromaticContact CH2-CD1 3.96Å; W32-Y83 HydrophobicContact CH2-CD1 3.96Å; W32-Y83 AromaticContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CH2-CE1 3.42Å; W32-Y83 VanDerWaalsContact CH2-CE1 3.42Å; W32-Y83 HydrophobicContact CZ2-CD1 4.4Å; W32-Y83 AromaticContact CZ2-CE1 3.46Å; W32-Y83 HydrophobicContact CZ2-CE1 3.46Å; W32-Y83 VanDerWaalsContact CZ2-CE1 3.46Å; W32-Y83 AromaticContact CZ2-CZ 3.98Å; Q43-Y83 HydrophobicContact CB-CE1 4.28Å; Q43-Y83 HydrophobicContact CG-CD1 3.6Å; Q43-Y83 HydrophobicContact CG-CE1 3.54Å; V45-Y83 HydrophobicContact CG2-CD1 4.15Å; Y83-Q90 HydrophobicContact CD2-CB 3.49Å; Y83-Q90 VanDerWaalsContact CD2-CB 3.49Å; Y83-Q90 WeakPolarHBondContact CD2-O 3.5Å; Y83-Q90 HydrophobicContact CE2-CB 3.6Å; Y83-Q90 PolarHBondContact N-O 3.27Å; Y83-Q90 VanDerWaalsContact N-O 3.17Å; Y83-A92 HydrophobicContact CE2-CB 4.25Å
84G70Confident73.4Confident7 Ų743 Ų437%0.07224%0.243CC..SBendtrans-173.4163.6-175.100000113.1L82 H86 T89L82-G84 PolarHBondContact O-N 2.87Å; G84-H86 VanDerWaalsContact C-N 3.29Å; G84-H86 PolarHBondContact O-N 3.48Å; G84-H86 VanDerWaalsContact O-N 3.16Å; G84-T89 VanDerWaalsContact N-CG2 3.33Å; G84-T89 PolarHBondContact O-OG1 3.1Å
85P67.6Low74.5Confident72 Ų7240.2 Ų40.247%0.46823%0.228SC..SBendtrans-89.950.7-174.237.4-37.7000112.3R49 F53R49-P85 HydrophobicContact CB-CG 4.39Å; F53-P85 HydrophobicContact CE2-CB 4.02Å
86H66.6Low75.5Confident117 Ų11740.1 Ų40.154%0.54223%0.228SC..SBendtrans-132.8151.5177.552.9-82.7000112G84 G88 T89G84-H86 VanDerWaalsContact C-N 3.29Å; G84-H86 PolarHBondContact O-N 3.48Å; G84-H86 VanDerWaalsContact O-N 3.16Å; H86-G88 PolarHBondContact O-N 2.88Å; H86-T89 PolarHBondContact CD2-OG1 3.06Å; H86-T89 PolarHBondContact CE1-OG1 2.68Å; H86-T89 PolarHBondContact N-OG1 2.85Å; H86-T89 PolarHBondContact ND1-OG1 2.88Å; H86-T89 PolarHBondContact NE2-OG1 2.7Å; H86-T89 WeakPolarHBondContact O-CB 3.27Å; H86-T89 PolarHBondContact O-N 2.81Å; H86-T89 PolarHBondContact O-OG1 3.3Å
87M55.1Low76.5Confident169 Ų16941.4 Ų41.483%0.83324%0.237SC*.THydrogen-bonded Turntrans-61.7135.7173.5-67.1-65.6179.300109.6
88G62.8Low76.9Confident84 Ų8443 Ų4387%0.86625%0.245SC*.THydrogen-bonded Turntrans83.83.8-17700000115.2H86H86-G88 PolarHBondContact O-N 2.88Å
89T68.7Low77.1Confident23 Ų2348 Ų4814%0.14127%0.269CS..  trans-67.4140.1174.1-45.20000110.9G84 H86G84-T89 VanDerWaalsContact N-CG2 3.33Å; G84-T89 PolarHBondContact O-OG1 3.1Å; H86-T89 PolarHBondContact CD2-OG1 3.06Å; H86-T89 PolarHBondContact CE1-OG1 2.68Å; H86-T89 PolarHBondContact N-OG1 2.85Å; H86-T89 PolarHBondContact ND1-OG1 2.88Å; H86-T89 PolarHBondContact NE2-OG1 2.7Å; H86-T89 WeakPolarHBondContact O-CB 3.27Å; H86-T89 PolarHBondContact O-N 2.81Å; H86-T89 PolarHBondContact O-OG1 3.3Å
90Q72.6Confident77.4Confident132 Ų13250.7 Ų50.762%0.61729%0.293SS*.  trans-62.8156.4172.5-67.6177.5-8.500111.2Y83Y83-Q90 HydrophobicContact CD2-CB 3.49Å; Y83-Q90 VanDerWaalsContact CD2-CB 3.49Å; Y83-Q90 WeakPolarHBondContact CD2-O 3.5Å; Y83-Q90 HydrophobicContact CE2-CB 3.6Å; Y83-Q90 PolarHBondContact N-O 3.27Å; Y83-Q90 VanDerWaalsContact N-O 3.17Å
91M76.9Confident77.7Confident32 Ų3251.9 Ų51.916%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-116.4132.3175.8-167.4162.3-171.400109.7A55 V63 G80 L82 W93A55-M91 HydrophobicContact CB-CE 3.56Å; V63-M91 HydrophobicContact CG1-SD 3.69Å; G80-M91 VanDerWaalsContact C-CE 3.47Å; G80-M91 VanDerWaalsContact CA-CE 3.47Å; L82-M91 HydrophobicContact CD2-CB 3.91Å; L82-M91 HydrophobicContact CD2-CG 4.07Å; L82-M91 HydrophobicContact CD2-SD 4.24Å; M91-W93 HydrophobicContact CE-CE3 4.28Å; M91-W93 HydrophobicContact CE-CH2 3.61Å; M91-W93 HydrophobicContact CE-CZ2 4.09Å; M91-W93 HydrophobicContact CE-CZ3 3.72Å; M91-W93 HydrophobicContact CG-CD2 4.35Å; M91-W93 HydrophobicContact CG-CZ2 4.17Å; M91-W93 HydrophobicContact SD-CD2 4.49Å; M91-W93 HydrophobicContact SD-CH2 3.6Å; M91-W93 VanDerWaalsContact SD-CH2 3.6Å; M91-W93 HydrophobicContact SD-CZ2 3.43Å; M91-W93 WeakPolarHBondContact SD-CZ2 3.46Å; M91-W93 HydrophobicContact SD-CZ3 4.18Å
92A81.8Confident77.9Confident1 Ų152.5 Ų52.51%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-94.4121.4170.200000109W32 G80 I81 Y83 F94W32-A92 HydrophobicContact CH2-CB 3.88Å; W32-A92 HydrophobicContact CZ2-CB 4.12Å; G80-A92 CarbonylContact C-O 3.52Å; G80-A92 VanDerWaalsContact CA-O 3.27Å; G80-A92 WeakPolarHBondContact CA-O 3.42Å; I81-A92 PolarHBondContact N-O 3.15Å; I81-A92 PolarHBondContact O-N 2.87Å; Y83-A92 HydrophobicContact CE2-CB 4.25Å; A92-F94 HydrophobicContact CB-CE2 3.59Å; A92-F94 HydrophobicContact CB-CZ 3.87Å
93W83.7Confident78.2Confident3 Ų353.8 Ų53.81%0.01131%0.314CS..EExtended strand (participates in β ladder)trans-97.8135.7177.7-60.6103.7000111.1K10 W11 W17 F60 V63 C65 M91K10-W93 VanDerWaalsContact CA-O 3.31Å; K10-W93 WeakPolarHBondContact CA-O 3.37Å; W11-W93 HydrophobicContact CB-CB 3.8Å; W11-W93 PolarHBondContact N-O 3.19Å; W17-W93 HydrophobicContact CH2-CB 4.25Å; F60-W93 HydrophobicContact CD1-CE3 4.43Å; F60-W93 HydrophobicContact CD1-CZ3 4.14Å; F60-W93 HydrophobicContact CD2-CZ3 4.08Å; F60-W93 HydrophobicContact CE1-CD2 4.38Å; F60-W93 AromaticContact CE1-CE3 3.57Å; F60-W93 HydrophobicContact CE1-CE3 3.57Å; F60-W93 AromaticContact CE1-CZ3 3.68Å; F60-W93 HydrophobicContact CE1-CZ3 3.68Å; F60-W93 AromaticContact CE2-CE3 3.94Å; F60-W93 HydrophobicContact CE2-CE3 3.94Å; F60-W93 AromaticContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CE2-CZ3 3.58Å; F60-W93 HydrophobicContact CG-CZ3 4.32Å; F60-W93 HydrophobicContact CZ-CD2 4.38Å; F60-W93 AromaticContact CZ-CE3 3.25Å; F60-W93 HydrophobicContact CZ-CE3 3.25Å; F60-W93 AromaticContact CZ-CZ3 3.35Å; F60-W93 HydrophobicContact CZ-CZ3 3.35Å; V63-W93 HydrophobicContact CB-CH2 3.62Å; V63-W93 HydrophobicContact CB-CZ2 3.78Å; V63-W93 HydrophobicContact CG1-CH2 3.8Å; V63-W93 HydrophobicContact CG1-CZ2 3.67Å; V63-W93 HydrophobicContact CG2-CH2 3.88Å; C65-W93 PolarHBondContact O-NE1 2.79Å; M91-W93 HydrophobicContact CE-CE3 4.28Å; M91-W93 HydrophobicContact CE-CH2 3.61Å; M91-W93 HydrophobicContact CE-CZ2 4.09Å; M91-W93 HydrophobicContact CE-CZ3 3.72Å; M91-W93 HydrophobicContact CG-CD2 4.35Å; M91-W93 HydrophobicContact CG-CZ2 4.17Å; M91-W93 HydrophobicContact SD-CD2 4.49Å; M91-W93 HydrophobicContact SD-CH2 3.6Å; M91-W93 VanDerWaalsContact SD-CH2 3.6Å; M91-W93 HydrophobicContact SD-CZ2 3.43Å; M91-W93 WeakPolarHBondContact SD-CZ2 3.46Å; M91-W93 HydrophobicContact SD-CZ3 4.18Å
94F87.4Confident78.7Confident0 Ų052.2 Ų52.20%031%0.313CS..EExtended strand (participates in β ladder)trans-126.8137.3179.2-59.3-86.8000109.9L8 K9 K10 V20 F30 W32 A78 F79 I81 A92L8-F94 HydrophobicContact CB-CD1 4.34Å; L8-F94 HydrophobicContact CD1-CB 4.3Å; L8-F94 HydrophobicContact CD1-CD1 4.38Å; K9-F94 CarbonylContact O-C 3.5Å; K9-F94 VanDerWaalsContact O-CA 3.23Å; K9-F94 WeakPolarHBondContact O-CA 3.47Å; K10-F94 HydrophobicContact CB-CD1 4.06Å; K10-F94 HydrophobicContact CB-CE1 4.01Å; K10-F94 HydrophobicContact CD-CE1 3.95Å; K10-F94 HydrophobicContact CD-CZ 4.24Å; K10-F94 HydrophobicContact CG-CD1 4.4Å; K10-F94 HydrophobicContact CG-CE1 4.05Å; V20-F94 HydrophobicContact CG2-CD1 4.36Å; V20-F94 HydrophobicContact CG2-CE1 4.13Å; F30-F94 HydrophobicContact CE1-CE1 4.17Å; F30-F94 AromaticContact CE1-CE2 3.89Å; F30-F94 HydrophobicContact CE1-CE2 3.89Å; F30-F94 AromaticContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CE1-CZ 3.7Å; F30-F94 HydrophobicContact CZ-CE1 4.47Å; F30-F94 HydrophobicContact CZ-CE2 4.46Å; F30-F94 HydrophobicContact CZ-CZ 4.36Å; W32-F94 HydrophobicContact CD2-CE1 4.34Å; W32-F94 AromaticContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CD2-CZ 3.95Å; W32-F94 HydrophobicContact CE3-CE1 4.47Å; W32-F94 AromaticContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CE3-CZ 3.77Å; W32-F94 HydrophobicContact CG-CE1 4.43Å; W32-F94 HydrophobicContact CG-CZ 4.5Å; W32-F94 HydrophobicContact CH2-CZ 4.31Å; W32-F94 HydrophobicContact CZ2-CZ 4.48Å; W32-F94 AromaticContact CZ3-CZ 3.98Å; W32-F94 HydrophobicContact CZ3-CZ 3.98Å; A78-F94 CarbonylContact C-O 3.59Å; A78-F94 WeakPolarHBondContact CA-O 3.43Å; A78-F94 VanDerWaalsContact CB-O 3.29Å; A78-F94 WeakPolarHBondContact CB-O 3.07Å; F79-F94 HydrophobicContact CD1-CB 4.29Å; F79-F94 HydrophobicContact CD2-CB 4.33Å; F79-F94 HydrophobicContact CD2-CD2 4.33Å; F79-F94 HydrophobicContact CE1-CB 3.87Å; F79-F94 HydrophobicContact CE2-CB 3.9Å; F79-F94 AromaticContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CD2 3.83Å; F79-F94 HydrophobicContact CE2-CG 4.08Å; F79-F94 HydrophobicContact CZ-CB 3.67Å; F79-F94 HydrophobicContact CZ-CD2 4.33Å; F79-F94 HydrophobicContact CZ-CG 4.12Å; F79-F94 PolarHBondContact N-O 2.84Å; F79-F94 PolarHBondContact O-N 3.2Å; F79-F94 VanDerWaalsContact O-O 3.08Å; I81-F94 HydrophobicContact CB-CE2 4.3Å; I81-F94 HydrophobicContact CD1-CD2 4.25Å; I81-F94 HydrophobicContact CD1-CE2 3.98Å; I81-F94 HydrophobicContact CG1-CD2 4.47Å; I81-F94 HydrophobicContact CG1-CE2 4.32Å; A92-F94 HydrophobicContact CB-CE2 3.59Å; A92-F94 HydrophobicContact CB-CZ 3.87Å
95A85.5Confident79.6Confident5 Ų552 Ų524%0.04131%0.31CS..EExtended strand (participates in β ladder)trans-116.3131.4172.700000109.7K9 W17 A78K9-A95 HydrophobicContact CB-CB 4.22Å; K9-A95 PolarHBondContact N-O 3.36Å; K9-A95 PolarHBondContact O-N 3.23Å; W17-A95 HydrophobicContact CE3-CB 4.15Å; W17-A95 HydrophobicContact CH2-CB 3.82Å; W17-A95 HydrophobicContact CZ2-CB 4.43Å; W17-A95 HydrophobicContact CZ3-CB 3.67Å; A78-A95 HydrophobicContact CB-CB 4.19Å
96C86.2Confident80.4Confident8 Ų850.6 Ų50.65%0.05430%0.3CS..  trans-84.5146.9174-64.60000110L8 L77 D98 T101 L102L8-C96 HydrophobicContact CD2-CB 4.48Å; L77-C96 VanDerWaalsContact O-CB 3.29Å; L77-C96 WeakPolarHBondContact O-CB 3.23Å; L77-C96 PolarHBondContact O-N 2.8Å; C96-D98 VanDerWaalsContact C-N 3.27Å; C96-D98 PolarHBondContact O-N 3.28Å; C96-T101 HydrophobicContact CB-CG2 4.12Å; C96-L102 HydrophobicContact CB-CB 4.03Å
97P84.4Confident81.4Confident94 Ų9450.3 Ų50.361%0.6130%0.302SS*.SBendtrans-68.9-26.1176.624.3-29.4000113.2T101P97-T101 HydrophobicContact CG-CG2 4.34Å
98D84.6Confident82.9Confident60 Ų6042.7 Ų42.732%0.32127%0.266SS..SBendtrans-155.5163.1-174.867.9-71.7000111.5C96 A100 T101 L102C96-D98 VanDerWaalsContact C-N 3.27Å; C96-D98 PolarHBondContact O-N 3.28Å; D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD2-CA 3.32Å; D98-A100 WeakPolarHBondContact OD2-CA 3.25Å; D98-A100 WeakPolarHBondContact OD2-CB 3.43Å; D98-A100 PolarHBondContact OD2-N 2.93Å; D98-T101 PolarHBondContact O-N 3.39Å; D98-T101 WeakPolarHBondContact OD1-CB 3.24Å; D98-T101 PolarHBondContact OD1-OG1 2.83Å; D98-T101 PolarHBondContact OD2-N 3.11Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L102 VanDerWaalsContact O-N 3.12Å
99Q83Confident84Confident105 Ų10539.3 Ų39.349%0.49123%0.228SC..Hα-helixtrans-62.9-34.3-179.5-175.264.621.600112.3L77 L102 S103L77-Q99 HydrophobicContact CD2-CB 4.02Å; L77-Q99 VanDerWaalsContact CD2-OE1 3.25Å; Q99-L102 PolarHBondContact O-N 3.48Å; Q99-S103 WeakPolarHBondContact O-CB 3.36Å; Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 2.94Å
100A86.9Confident84.7Confident68 Ų6842.9 Ų42.956%0.56225%0.245SC*.Hα-helixtrans-69.5-37.8-179.800000111D98 S103 S104D98-A100 VanDerWaalsContact C-N 3.3Å; D98-A100 PolarHBondContact O-N 3.44Å; D98-A100 VanDerWaalsContact OD2-CA 3.32Å; D98-A100 WeakPolarHBondContact OD2-CA 3.25Å; D98-A100 WeakPolarHBondContact OD2-CB 3.43Å; D98-A100 PolarHBondContact OD2-N 2.93Å; A100-S103 PolarHBondContact O-N 3.3Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.15Å
101T88.8Confident85.2Confident25 Ų2538.2 Ų38.215%0.15323%0.226CC..Hα-helixtrans-61.9-45.7171-65.40000111.4L8 C96 P97 D98 S104 W105L8-T101 HydrophobicContact CD2-CG2 4.19Å; C96-T101 HydrophobicContact CB-CG2 4.12Å; P97-T101 HydrophobicContact CG-CG2 4.34Å; D98-T101 PolarHBondContact O-N 3.39Å; D98-T101 WeakPolarHBondContact OD1-CB 3.24Å; D98-T101 PolarHBondContact OD1-OG1 2.83Å; D98-T101 PolarHBondContact OD2-N 3.11Å; T101-S104 PolarHBondContact O-N 3.08Å; T101-W105 PolarHBondContact O-N 3.39Å
102L85.4Confident85.5Confident13 Ų1336.7 Ų36.77%0.06822%0.219CC..Hα-helixtrans-58.5-52.8175.6-178.672.4000111.4P76 F79 C96 D98 Q99 S104 W105 T106P76-L102 VanDerWaalsContact O-CD2 3.27Å; P76-L102 WeakPolarHBondContact O-CD2 3.49Å; F79-L102 HydrophobicContact CD1-CD1 3.87Å; C96-L102 HydrophobicContact CB-CB 4.03Å; D98-L102 PolarHBondContact O-N 2.9Å; D98-L102 VanDerWaalsContact O-N 3.12Å; Q99-L102 PolarHBondContact O-N 3.48Å; L102-S104 PolarHBondContact O-N 2.86Å; L102-W105 PolarHBondContact O-N 3.46Å; L102-W105 VanDerWaalsContact O-N 3.11Å; L102-T106 PolarHBondContact O-N 3.39Å; L102-T106 PolarHBondContact O-OG1 2.91Å; L102-T106 VanDerWaalsContact O-OG1 3.08Å
103S85.9Confident85.2Confident49 Ų4939.3 Ų39.334%0.34323%0.23SC..Hα-helixtrans-56.3-40.1177.5-66.90000111.6Q99 A100 T106 N107Q99-S103 WeakPolarHBondContact O-CB 3.36Å; Q99-S103 PolarHBondContact O-N 2.86Å; Q99-S103 PolarHBondContact O-OG 2.94Å; A100-S103 PolarHBondContact O-N 3.3Å; S103-T106 PolarHBondContact O-N 3.12Å; S103-N107 VanDerWaalsContact O-CB 3.29Å; S103-N107 WeakPolarHBondContact O-CB 3.37Å; S103-N107 PolarHBondContact O-N 3.31Å; S103-N107 PolarHBondContact O-ND2 2.85Å
104S89.5Confident84.7Confident30 Ų3045.6 Ų45.621%0.2126%0.26CS..Hα-helixtrans-66.6-40.1177.1-1740000113.2R4 A100 T101 L102 A108R4-S104 PolarHBondContact NE-OG 3.08Å; R4-S104 PolarHBondContact NH1-OG 3.03Å; R4-S104 PolarHBondContact NH2-OG 3.18Å; A100-S104 VanDerWaalsContact O-CB 3.31Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.15Å; T101-S104 PolarHBondContact O-N 3.08Å; L102-S104 PolarHBondContact O-N 2.86Å; S104-A108 WeakPolarHBondContact O-CB 3.31Å; S104-A108 PolarHBondContact O-N 2.77Å
105W89.2Confident83.4Confident3 Ų349.1 Ų49.11%0.01128%0.276CS..Hα-helixtrans-67.2-44.5175.2-82.2106.3000111.5R4 L8 C22 L24 F30 T101 L102 A108 L109R4-W105 HydrophobicContact CB-CE3 4.29Å; R4-W105 HydrophobicContact CB-CH2 4.44Å; R4-W105 HydrophobicContact CB-CZ3 4.11Å; R4-W105 HydrophobicContact CG-CD2 3.96Å; R4-W105 HydrophobicContact CG-CE3 3.97Å; R4-W105 HydrophobicContact CG-CH2 4.13Å; R4-W105 HydrophobicContact CG-CZ2 4.13Å; R4-W105 HydrophobicContact CG-CZ3 4.05Å; L8-W105 HydrophobicContact CD1-CD2 4.24Å; L8-W105 HydrophobicContact CD1-CZ2 3.9Å; L8-W105 HydrophobicContact CG-CZ2 4.19Å; C22-W105 HydrophobicContact CB-CH2 3.59Å; C22-W105 HydrophobicContact CB-CZ2 3.9Å; C22-W105 HydrophobicContact CB-CZ3 4.48Å; L24-W105 HydrophobicContact CB-CZ3 3.9Å; F30-W105 HydrophobicContact CD2-CZ3 4.06Å; F30-W105 AromaticContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CE3 3.95Å; F30-W105 HydrophobicContact CE2-CH2 4.03Å; F30-W105 AromaticContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CE2-CZ3 3.45Å; F30-W105 VanDerWaalsContact CE2-CZ3 3.45Å; F30-W105 HydrophobicContact CZ-CZ3 4.49Å; T101-W105 PolarHBondContact O-N 3.39Å; L102-W105 PolarHBondContact O-N 3.46Å; L102-W105 VanDerWaalsContact O-N 3.11Å; W105-A108 PolarHBondContact O-N 3.12Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.16Å
106T84.2Confident81.8Confident42 Ų4253.2 Ų53.226%0.25830%0.301SS..Hα-helixtrans-60.5-46.7176.5-57.50000111.1L102 S103 A108 L109 M110L102-T106 PolarHBondContact O-N 3.39Å; L102-T106 PolarHBondContact O-OG1 2.91Å; L102-T106 VanDerWaalsContact O-OG1 3.08Å; S103-T106 PolarHBondContact O-N 3.12Å; T106-A108 VanDerWaalsContact C-N 3.32Å; T106-A108 PolarHBondContact O-N 2.58Å; T106-L109 PolarHBondContact O-N 3.45Å; T106-M110 HydrophobicContact CG2-CE 4.22Å; T106-M110 HydrophobicContact CG2-CG 4.35Å; T106-M110 WeakPolarHBondContact O-CB 3.31Å; T106-M110 VanDerWaalsContact O-CG 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.16Å; T106-M110 PolarHBondContact O-N 3.43Å
107N86.7Confident79.9Confident111 Ų11157.5 Ų57.559%0.59433%0.331SS*.Hα-helixtrans-61.3-40.1176.8-71.7-17.4000112S103 M110 S111S103-N107 VanDerWaalsContact O-CB 3.29Å; S103-N107 WeakPolarHBondContact O-CB 3.37Å; S103-N107 PolarHBondContact O-N 3.31Å; S103-N107 PolarHBondContact O-ND2 2.85Å; N107-M110 PolarHBondContact O-N 3.09Å; N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.04Å
108A87.9Confident77.7Confident9 Ų958.8 Ų58.87%0.07433%0.331CS..Hα-helixtrans-64.6-42.3176.100000111.9I3 R4 L24 S104 W105 T106 S111 L112I3-A108 HydrophobicContact CG2-CB 3.88Å; R4-A108 HydrophobicContact CB-CB 3.87Å; R4-A108 HydrophobicContact CG-CB 4.46Å; L24-A108 HydrophobicContact CD2-CB 3.77Å; S104-A108 WeakPolarHBondContact O-CB 3.31Å; S104-A108 PolarHBondContact O-N 2.77Å; W105-A108 PolarHBondContact O-N 3.12Å; T106-A108 VanDerWaalsContact C-N 3.32Å; T106-A108 PolarHBondContact O-N 2.58Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-OG 2.88Å; A108-L112 PolarHBondContact O-N 2.82Å
109L85.7Confident75.6Confident12 Ų1260.8 Ų60.86%0.06335%0.348CS..Hα-helixtrans-62.8-44.6173.8-69.9166.6000111.4L24 I47 W105 T106 S111 L112 F113L24-L109 HydrophobicContact CD1-CD2 3.96Å; L24-L109 HydrophobicContact CD2-CD2 4.07Å; L24-L109 HydrophobicContact CD2-CG 4.35Å; I47-L109 HydrophobicContact CD1-CD2 4.3Å; I47-L109 HydrophobicContact CG1-CD2 4.08Å; I47-L109 HydrophobicContact CG2-CD2 3.8Å; W105-L109 WeakPolarHBondContact O-CG 3.39Å; W105-L109 PolarHBondContact O-N 3.16Å; T106-L109 PolarHBondContact O-N 3.45Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 2.85Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.32Å; L109-F113 HydrophobicContact CB-CE2 4.4Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å; L109-F113 WeakPolarHBondContact O-CE2 3.39Å
110M81.7Confident73.6Confident99 Ų9961.9 Ų61.949%0.48836%0.364SS..Hα-helixtrans-63-37.2177.5-67.1-59.6170.600112.3T106 N107 L112 F113 Q114T106-M110 HydrophobicContact CG2-CE 4.22Å; T106-M110 HydrophobicContact CG2-CG 4.35Å; T106-M110 WeakPolarHBondContact O-CB 3.31Å; T106-M110 VanDerWaalsContact O-CG 3.24Å; T106-M110 WeakPolarHBondContact O-CG 3.16Å; T106-M110 PolarHBondContact O-N 3.43Å; N107-M110 PolarHBondContact O-N 3.09Å; M110-L112 VanDerWaalsContact C-N 3.25Å; M110-L112 PolarHBondContact O-N 3.28Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 VanDerWaalsContact O-N 3.09Å; M110-F113 HydrophobicContact SD-CD2 4.09Å; M110-Q114 PolarHBondContact O-N 3.02Å
111S84Confident71.2Confident33 Ų3364 Ų6423%0.23137%0.374CS..Hα-helixtrans-60.4-35176.778.70000112.5N107 A108 L109 F113 Q114 Q115N107-S111 WeakPolarHBondContact O-CB 3.4Å; N107-S111 PolarHBondContact O-N 3.04Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-S111 PolarHBondContact O-OG 2.88Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 2.85Å; S111-F113 VanDerWaalsContact C-N 3.32Å; S111-F113 PolarHBondContact O-N 2.87Å; S111-Q114 PolarHBondContact O-N 2.83Å; S111-Q115 VanDerWaalsContact O-CG 3.31Å; S111-Q115 WeakPolarHBondContact O-CG 3.33Å; S111-Q115 PolarHBondContact O-N 3.19Å
112L82.9Confident68.9Low0 Ų066.3 Ų66.30%040%0.396CS..Hα-helixtrans-67.1-32.2176.3-78171.2000113.1I3 L24 N26 A108 L109 M110I3-L112 HydrophobicContact CD1-CD1 4.17Å; I3-L112 HydrophobicContact CD1-CD2 3.32Å; I3-L112 HydrophobicContact CD1-CG 3.53Å; L24-L112 HydrophobicContact CD1-CD1 3.52Å; L24-L112 HydrophobicContact CD2-CD1 3.74Å; L24-L112 HydrophobicContact CG-CD1 3.72Å; N26-L112 WeakPolarHBondContact O-CD2 3.37Å; A108-L112 PolarHBondContact O-N 2.82Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.32Å; M110-L112 VanDerWaalsContact C-N 3.25Å; M110-L112 PolarHBondContact O-N 3.28Å
113F76.2Confident67.1Low57 Ų5770.9 Ų70.925%0.2543%0.427CS..Hα-helixtrans-79.1-29.2178.1-55.5-48.2000112I47 A51 L54 L109 M110 S111 T116I47-F113 HydrophobicContact CG2-CE1 3.86Å; I47-F113 HydrophobicContact CG2-CZ 3.53Å; A51-F113 HydrophobicContact CB-CD1 4.25Å; A51-F113 HydrophobicContact CB-CE1 3.36Å; A51-F113 HydrophobicContact CB-CZ 3.52Å; L54-F113 HydrophobicContact CD1-CE2 4.17Å; L54-F113 HydrophobicContact CD1-CZ 3.89Å; L109-F113 HydrophobicContact CB-CE2 4.4Å; L109-F113 WeakPolarHBondContact O-CD2 3.23Å; L109-F113 WeakPolarHBondContact O-CE2 3.39Å; M110-F113 PolarHBondContact O-N 3.17Å; M110-F113 VanDerWaalsContact O-N 3.09Å; M110-F113 HydrophobicContact SD-CD2 4.09Å; S111-F113 VanDerWaalsContact C-N 3.32Å; S111-F113 PolarHBondContact O-N 2.87Å; F113-T116 PolarHBondContact O-OG1 2.99Å
114Q72.4Confident65.5Low135 Ų13573.7 Ų73.763%0.63144%0.444SS*.Hα-helixtrans-75.9-33.4173.7-69178.5-7.100112.3M110 S111 T116 S117M110-Q114 PolarHBondContact O-N 3.02Å; S111-Q114 PolarHBondContact O-N 2.83Å; Q114-T116 PolarHBondContact O-N 2.95Å; Q114-T116 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-N 3.19Å; Q114-S117 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-OG 3.14Å
115Q60Low63.4Low74 Ų7477.8 Ų77.835%0.34647%0.469SS..G310 helixtrans-61.2-23.7178.4-77.2175.419.800113.5N26 S111 S117 I118N26-Q115 PolarHBondContact OD1-NE2 3.2Å; N26-Q115 PolarHBondContact OD1-OE1 2.63Å; S111-Q115 VanDerWaalsContact O-CG 3.31Å; S111-Q115 WeakPolarHBondContact O-CG 3.33Å; S111-Q115 PolarHBondContact O-N 3.19Å; Q115-S117 PolarHBondContact O-N 3.2Å; Q115-I118 PolarHBondContact O-N 3.44Å
116T53.4Low61Low91 Ų9188.4 Ų88.456%0.55851%0.511SS*.G310 helixtrans-72.4-6177.131.80000115F113 Q114F113-T116 PolarHBondContact O-OG1 2.99Å; Q114-T116 PolarHBondContact O-N 2.95Å; Q114-T116 VanDerWaalsContact O-N 3.12Å
117S44.5Very low58.9Low98 Ų9894.7 Ų94.769%0.68554%0.537SS*.G310 helixtrans-93.1-1.7171.1580000114.1Q114 Q115Q114-S117 PolarHBondContact O-N 3.19Å; Q114-S117 VanDerWaalsContact O-N 3.12Å; Q114-S117 PolarHBondContact O-OG 3.14Å; Q115-S117 PolarHBondContact O-N 3.2Å
118I39.6Very low57Low120 Ų12094.8 Ų94.862%0.61554%0.544SS*.SBendtrans-99.7109.4171.9-53.5168.4000106.6Q115Q115-I118 PolarHBondContact O-N 3.44Å
119P39Very low54.7Low103 Ų103100.1 Ų100.167%0.66958%0.581SS**  trans-53.6140.7168.624.6-32.2000107.5S121P119-S121 PolarHBondContact O-N 3.48Å
120P42.1Very low52.8Low128 Ų128107.8 Ų107.883%0.83162%0.621SS**  trans-50.7112.8178.221.2-31.2000107.5A122P120-A122 PolarHBondContact O-N 2.9Å
121S36.2Very low51.3Low111 Ų111107 Ų10778%0.77663%0.63SS**PPolyproline II helixtrans-52117.6171.5176.60000104.9P119P119-S121 PolarHBondContact O-N 3.48Å
122A39.8Very low49.6Very low75 Ų75111.4 Ų111.462%0.6266%0.658SS**PPolyproline II helixtrans-46.9139.1173.300000107.7P120P120-A122 PolarHBondContact O-N 2.9Å
123P49.2Very low47.6Very low109 Ų109116.2 Ų116.271%0.70870%0.698SS**PPolyproline II helixtrans-50.2140.1172.722.4-31.8000107.8
124P51.3Low46.2Very low108 Ų108122.5 Ų122.570%0.70173%0.728SS**PPolyproline II helixtrans-50.113517721.7-31.7000107.8Y126P124-Y126 PolarHBondContact O-N 2.98Å
125P46.1Very low45.2Very low115 Ų115121.7 Ų121.775%0.74774%0.735SS**PPolyproline II helixtrans-52.3125.3175.121.8-30.6000106.6Q127P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.13Å
126Y38Very low44.3Very low227 Ų227124.7 Ų124.789%0.8976%0.76SS**  trans-50.2103.1169.1-98.4-95.2000106.2P124 P128P124-Y126 PolarHBondContact O-N 2.98Å; Y126-P128 VanDerWaalsContact O-CD 3.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å
127Q39.9Very low43.7Very low173 Ų173123.8 Ų123.881%0.80877%0.769SS**PPolyproline II helixtrans-62121.5166.1-84.7-177.3-86.800105.3P125 S129P125-Q127 VanDerWaalsContact C-N 3.29Å; P125-Q127 PolarHBondContact O-N 3.13Å; Q127-S129 PolarHBondContact O-N 2.93Å
128P46.9Very low43.3Very low114 Ų114124.1 Ų124.174%0.7477%0.772SS**PPolyproline II helixtrans-59.2124.7166.7-11.525.6000106.2Y126 L130Y126-P128 VanDerWaalsContact O-CD 3.31Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-L130 PolarHBondContact O-N 3.31Å
129S39.6Very low43.1Very low120 Ų120126 Ų12684%0.83978%0.781SS**PPolyproline II helixtrans-48.9119.7169-77.60000108.6Q127 A131Q127-S129 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact O-N 2.7Å
130L47.1Very low43Very low173 Ų173124 Ų12491%0.90678%0.78SS**  trans-55.3109.7168.2-91152.1000107.7P128P128-L130 PolarHBondContact O-N 3.31Å
131A50.1Low42.7Very low83 Ų83128.1 Ų128.169%0.68679%0.785SS**PPolyproline II helixtrans-62.6149.5172.300000109.9S129S129-A131 PolarHBondContact O-N 2.7Å
132P47.8Very low42.7Very low125 Ų125126.6 Ų126.681%0.81279%0.787SS**PPolyproline II helixtrans-66.2142.3-175.2-1529.6000112
133A40.4Very low42.7Very low102 Ų102131.8 Ų131.884%0.84380%0.801SS**PPolyproline II helixtrans-54.7131.1-178.400000114
134Q47.4Very low42.6Very low189 Ų189131.9 Ų131.988%0.88380%0.801SS**PPolyproline II helixtrans-98.3135.8157.7-84.1-169.7-71.400110.2
135P50.8Low42.1Very low118 Ų118133.5 Ų133.577%0.76680%0.804SS**PPolyproline II helixtrans-77.9157-179.530.7-33000113
136P40.4Very low42Very low136 Ų136133.1 Ų133.188%0.88380%0.802SS**PPolyproline II helixtrans-86.3136.5-165.534.3-32.3000112.4
137G40.9Very low42Very low72 Ų72128.7 Ų128.774%0.74280%0.798SS**  trans-141111.2179.100000113.4
138S36.8Very low42Very low106 Ų106124.6 Ų124.674%0.74179%0.794SS**  trans65.199.1136.8-160.50000121.5
139I36.2Very low41.4Very low158 Ų158130.3 Ų130.381%0.8180%0.802SS**  41.3124.8115.8-51160.6000118.9
140G37.1Very low41.3Very low63 Ų63128.3 Ų128.365%0.64980%0.801SS**  trans146.999.4138.300000119.6
141F34.9Very low40.8Very low213 Ų213123.7 Ų123.793%0.93480%0.795SS**  trans39129.5141.9-63.4-87.6000123.5
142G36.8Very low40.3Very low79 Ų79127.9 Ų127.981%0.81481%0.806SS**  trans145.4100.4144.200000118.4
143M40.4Very low40Very low185 Ų185127.5 Ų127.591%0.91180%0.803SS**  trans-16.7173.6154.7-102.5-158.7167.500121.4
144P46.9Very low39.9Very low110 Ų110126.2 Ų126.271%0.71480%0.8SS**  cis-133.3175.5-44.733.3-12.2000113.6
145D40.5Very low39.3Very low143 Ų143120.3 Ų120.377%0.76579%0.79SS**  trans-64.8144.8-176.6-171-0.7000116
146P43.1Very low38.9Very low107 Ų107126 Ų12670%0.69580%0.798SS**  trans-114.1111.1153.832.7-16.9000112.4A148P146-A148 PolarHBondContact O-N 3.21Å
147T39.2Very low39.1Very low134 Ų134122.8 Ų122.882%0.82279%0.79SS**  trans-39.7117.4147.646.50000111.3
148A38.7Very low40Very low86 Ų86125.3 Ų125.371%0.71179%0.793SS**  trans-168117.4153.800000112.4P146P146-A148 PolarHBondContact O-N 3.21Å
149Y35.3Very low41.5Very low234 Ų234125.7 Ų125.792%0.91879%0.793SS**  trans87.7110.4136.3-111.3-99.1000120.9
150G37Very low42.9Very low79 Ų79123.8 Ų123.881%0.81479%0.791SS**  trans81.4133.7145.100000115.3
151G37Very low44.2Very low76 Ų76126 Ų12678%0.78479%0.794SS**  cis163.3121.611.100000108.5
152N38.5Very low45.4Very low170 Ų170121.6 Ų121.691%0.90979%0.787SS**  trans67145.1145.1-134.128.1000122
153P41.1Very low45.9Very low117 Ų117125.4 Ų125.476%0.7679%0.787SS**  trans-111.3171.4-159.943.7-34.2000114.9
154G38.4Very low45.9Very low76 Ų76122 Ų12278%0.78478%0.781SS**  trans153.6113.1169.400000107.2
155G36Very low45.9Very low65 Ų65125.2 Ų125.267%0.6779%0.787SS**  125.685.850.400000106
156Y41.9Very low46.2Very low236 Ų236123.3 Ų123.393%0.92578%0.782SS**  trans-145.3117.9164.5-82.2-80.1000107.1
157G43.9Very low45.9Very low69 Ų69125.7 Ų125.771%0.71179%0.789SS**PPolyproline II helixtrans-63.7168.6-172.600000113.9
158P61.2Low45.7Very low125 Ų125128.9 Ų128.981%0.81279%0.787SS**PPolyproline II helixtrans-65.6147.7-17527.8-33.8000111.6
159P67.9Low45.5Very low114 Ų114127.6 Ų127.674%0.7478%0.783SS**PPolyproline II helixtrans-63.7149.3174.927.6-33.7000110.9
160P64.2Low45.5Very low119 Ų119127 Ų12777%0.77378%0.78SS**PPolyproline II helixtrans-62.314717526.1-32.5000110.8
161P66.1Low45.9Very low109 Ų109128.9 Ų128.971%0.70878%0.778SS**PPolyproline II helixtrans-64.6148.2-177.926.4-33.4000111.4I163P161-I163 PolarHBondContact O-N 3.44Å
162P60.3Low46.1Very low120 Ų120131.4 Ų131.478%0.77978%0.779SS**PPolyproline II helixtrans-62.9127.6178.225.1-31.6000110S164P162-S164 PolarHBondContact O-N 3.14Å; P162-S164 VanDerWaalsContact O-N 3.08Å
163I46.6Very low46Very low160 Ų160130.1 Ų130.182%0.82177%0.772SS**  trans-66.8108.1171.5-57.2170.7000106.8P161 Q165P161-I163 PolarHBondContact O-N 3.44Å; I163-Q165 PolarHBondContact O-N 3.23Å
164S40.9Very low45.8Very low113 Ų113131.7 Ų131.779%0.7977%0.774SS**  trans-57.1107.7170-60.70000109.3P162P162-S164 PolarHBondContact O-N 3.14Å; P162-S164 VanDerWaalsContact O-N 3.08Å
165Q45.7Very low45.5Very low178 Ų178137.4 Ų137.483%0.83277%0.773SS**  trans-69135.7168.8-78.8-172.4-18.600109.4I163 N167I163-Q165 PolarHBondContact O-N 3.23Å; Q165-N167 PolarHBondContact O-N 3.08Å
166P47.2Very low45.9Very low102 Ų102139.9 Ų139.966%0.66278%0.775SS**  trans-66.2118.9171.125.3-29.1000109.2Y168P166-Y168 VanDerWaalsContact C-N 3.29Å; P166-Y168 HydrophobicContact CB-CD2 4.26Å; P166-Y168 PolarHBondContact O-N 3.49Å
167N37.4Very low46.2Very low158 Ų158133 Ų13385%0.84576%0.76SS**  trans-66.185.5170-175.315.5000109.1Q165 G169Q165-N167 PolarHBondContact O-N 3.08Å; N167-G169 PolarHBondContact O-N 2.77Å
168Y35.2Very low46.4Very low200 Ų200135.1 Ų135.178%0.78476%0.76SS**  trans-83.195.7166.1-99.1-88.5000108.1P166 Y170P166-Y168 VanDerWaalsContact C-N 3.29Å; P166-Y168 HydrophobicContact CB-CD2 4.26Å; P166-Y168 PolarHBondContact O-N 3.49Å; Y168-Y170 PolarHBondContact O-N 2.77Å
169G34.6Very low45.5Very low60 Ų60133.6 Ų133.662%0.61976%0.759SS**PPolyproline II helixtrans-55.2120.5169.300000110N167 P171N167-G169 PolarHBondContact O-N 2.77Å; G169-P171 WeakPolarHBondContact O-CD 3.17Å
170Y34.3Very low44.5Very low221 Ų221134.5 Ų134.587%0.86776%0.762SS**PPolyproline II helixtrans-68.6123.4169.8-86.3-96.3000108.6Y168 T172Y168-Y170 PolarHBondContact O-N 2.77Å; Y170-T172 PolarHBondContact O-N 3.43Å
171P46.3Very low43.7Very low119 Ų119134 Ų13477%0.77376%0.758SS**PPolyproline II helixtrans-65.2129165.626.9-29.9000108.2G169G169-P171 WeakPolarHBondContact O-CD 3.17Å
172T41.5Very low42.6Very low129 Ų129134.7 Ų134.779%0.79176%0.763SS**PPolyproline II helixtrans-55.5141175.4-163.40000110.7Y170 N174Y170-T172 PolarHBondContact O-N 3.43Å; T172-N174 PolarHBondContact O-N 3.08Å
173N36.3Very low41.7Very low143 Ų143133.7 Ų133.777%0.76577%0.765SS**PPolyproline II helixtrans-47.6125.2172.6-96.5-64.4000111.5
174N36.9Very low41.7Very low150 Ų150137.4 Ų137.480%0.80277%0.768SS**  trans-147.784.3149.7-94-15.6000107.2T172 V176T172-N174 PolarHBondContact O-N 3.08Å; N174-V176 PolarHBondContact O-N 2.93Å; N174-V176 VanDerWaalsContact O-N 3.14Å
175Y31.2Very low41.7Very low195 Ų195137.9 Ų137.977%0.76577%0.769SS**  trans-70.3104.8168.3-174.8-96.2000108.2
176V45.3Very low41.4Very low118 Ų118134.1 Ų134.172%0.71577%0.769SS**PPolyproline II helixtrans-89.1121.7170.1-1780000107.1N174N174-V176 PolarHBondContact O-N 2.93Å; N174-V176 VanDerWaalsContact O-N 3.14Å
177P47.3Very low40.9Very low92 Ų92133.7 Ų133.760%0.59777%0.774SS**PPolyproline II helixtrans-62.2147.2176.325.2-32.4000110.6A179P177-A179 PolarHBondContact O-N 2.82Å
178P48.1Very low40.8Very low112 Ų112132.6 Ų132.673%0.72778%0.775SS**PPolyproline II helixtrans-58.7126.2-178.9-19.230000111.2V180P178-V180 PolarHBondContact O-N 3.47Å
179A43.1Very low40.8Very low94 Ų94126.8 Ų126.878%0.77778%0.776SS**PPolyproline II helixtrans-62.4131.517200000110.1P177P177-A179 PolarHBondContact O-N 2.82Å
180V47Very low40.7Very low133 Ų133128.7 Ų128.781%0.80679%0.786SS**PPolyproline II helixtrans-57.7124.3174-178.80000108.7P178P178-V180 PolarHBondContact O-N 3.47Å
181P46.1Very low40.6Very low108 Ų108128.5 Ų128.570%0.70179%0.785SS**PPolyproline II helixtrans-64.1138.3176.624.2-30.8000109.9A183P181-A183 PolarHBondContact O-N 2.79Å
182P44.4Very low40Very low124 Ų124129.3 Ų129.381%0.80579%0.788SS**PPolyproline II helixtrans-63.7135.3-177.223.7-31.4000111.1R184P182-R184 PolarHBondContact O-N 2.78Å
183A41.2Very low39.8Very low99 Ų99128 Ų12882%0.81878%0.781SS**PPolyproline II helixtrans-55.4121.2176.100000110.2P181P181-A183 PolarHBondContact O-N 2.79Å
184R46.1Very low39.6Very low237 Ų237123.7 Ų123.789%0.89477%0.771SS**PPolyproline II helixtrans-71.9138.2175.8-129.6177.7-166.2-164.73.3109.4P182P182-R184 PolarHBondContact O-N 2.78Å
185P40.5Very low39.4Very low123 Ų123123.2 Ų123.280%0.79977%0.773SS**PPolyproline II helixtrans-64.2136.4-175.6-17.230000111.8A187P185-A187 PolarHBondContact O-N 3.05Å
186A39.1Very low39.4Very low100 Ų100118.7 Ų118.783%0.82677%0.77SS**PPolyproline II helixtrans-63.3128.4173.700000110.3
187A38.2Very low38.7Very low93 Ų93118.7 Ų118.777%0.76978%0.775SS**PPolyproline II helixtrans-65.1143.817200000110.2P185P185-A187 PolarHBondContact O-N 3.05Å
188P34.2Very low37.8Very low135 Ų135125 Ų12588%0.87779%0.789SS**SBendtrans-79.5127.1-172.43.314.1000110.6
189G35.2Very low36.8Very low78 Ų78124.9 Ų124.980%0.80479%0.791SS**  trans117.882.7162.500000114.8
190A31.6Very low36Very low99 Ų99123.2 Ų123.282%0.81878%0.783SS**  trans-169.690.7144.200000110
191Y32.6Very low34.9Very low217 Ų217127.8 Ų127.885%0.85179%0.787SS**  trans15.2115.3149.4-143.3-108000119.2P193Y191-P193 HydrophobicContact CD1-CG 4Å; Y191-P193 HydrophobicContact CE1-CG 3.9Å
192V34.8Very low34Very low137 Ų137130.9 Ų130.983%0.8379%0.792SS**  trans-105.2126.2162.7-179.60000108.6
193P37.9Very low33.3Very low100 Ų100130.2 Ų130.265%0.64979%0.788SS**  trans-129.3119.1143.933.9-20.1000107.8Y191Y191-P193 HydrophobicContact CD1-CG 4Å; Y191-P193 HydrophobicContact CE1-CG 3.9Å
194G31.2Very low32.6Very low54 Ų54127.6 Ų127.656%0.55777%0.77SS**  109.41117000000108.9
195T32.3Very low31.8Very low139 Ų139122.7 Ų122.785%0.85377%0.77SS**  trans83.7141.6149.1710000121.4
196S32.1Very low31.2Very low100 Ų100124.7 Ų124.770%0.69977%0.768SS**  trans77.899.7156.437.20000120.3
197S29.2Very low30.7Very low118 Ų118126.6 Ų126.683%0.82576%0.764SS**  51.5127.9115.8-43.30000120.2
198Y28.6Very low30.6Very low225 Ų225127.9 Ų127.988%0.88277%0.765SS**  trans98.5110.3149.1-141.7-99.7000117.8
199S27Very low30.6Very low110 Ų110130.3 Ų130.377%0.76977%0.765SS**  trans42.1117.7138.1-149.50000119.6
200G26.5Very low30.5Very low59 Ų59129.3 Ų129.361%0.60875%0.754SS**  trans130.4121.9151.800000115.6
201Y25Very low30.9Very low229 Ų229130.8 Ų130.890%0.89874%0.744SS**  trans50.8107.1144.6-67.3-84.9000120.5
202Q26.6Very low30.9Very low172 Ų172125 Ų12580%0.80473%0.734SS**  145.1121.1116.5-84.2-167.7-99.200110.9
203P28.8Very low31.4Very low111 Ų111121.7 Ų121.772%0.72171%0.709SS**  trans-78.9122.3137.38.410.7000107.2
204G26.7Very low31.5Very low43 Ų43121.8 Ų121.844%0.44371%0.707SS.*  trans-57.5175.4160.600000110.8Q206G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.94Å
205P29.6Very low32Very low135 Ų135120.8 Ų120.888%0.87769%0.693SS**  trans-63.293.9-176.427.7-32.1000109.1D207P205-D207 PolarHBondContact O-N 3.24Å; P205-D207 VanDerWaalsContact O-N 3.09Å
206Q27.9Very low32.7Very low165 Ų165123.7 Ų123.777%0.77170%0.697SS**  trans-67.3105.8160.2-108.9175.7-28.400104.4G204G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.94Å
207D28.7Very low33.6Very low140 Ų140124.6 Ų124.675%0.74969%0.694SS**  trans-30.6127.2157.5-94.4-65.3000108.7P205 Q209P205-D207 PolarHBondContact O-N 3.24Å; P205-D207 VanDerWaalsContact O-N 3.09Å; D207-Q209 PolarHBondContact O-N 2.85Å
208P37.3Very low34.2Very low119 Ų119121.4 Ų121.477%0.77368%0.68SS**  trans-64.891.5171.526-29.2000106.6G210P208-G210 PolarHBondContact O-N 2.92Å
209Q33Very low34.7Very low187 Ų187116.6 Ų116.687%0.87467%0.666SS**  trans-48.7107.8166.6-89.6-170.8-44.900106.7D207D207-Q209 PolarHBondContact O-N 2.85Å
210G32.8Very low35.5Very low56 Ų56115.3 Ų115.358%0.57766%0.655SS**  trans17.9101.817000000116.4P208 C212P208-G210 PolarHBondContact O-N 2.92Å; G210-C212 VanDerWaalsContact C-N 3.28Å; G210-C212 PolarHBondContact O-N 2.87Å
211Q40.4Very low36.3Very low130 Ų130118.5 Ų118.561%0.60765%0.65SS**  trans-58102.1148.4-74.1-173.59.300107.2F213Q211-F213 HydrophobicContact CB-CD2 4.23Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.9Å; Q211-F213 WeakPolarHBondContact O-CD2 3.07Å; Q211-F213 PolarHBondContact O-N 2.88Å
212C33.3Very low37Very low96 Ų96115.6 Ų115.665%0.64964%0.644SS**  trans-67.9100169.6-66.80000107.4G210 V214 P220G210-C212 VanDerWaalsContact C-N 3.28Å; G210-C212 PolarHBondContact O-N 2.87Å; C212-V214 PolarHBondContact O-N 3.35Å; C212-P220 HydrophobicContact CB-CB 4.28Å
213F43.9Very low38Very low68 Ų68110.2 Ų110.230%0.29862%0.623SS.*EExtended strand (participates in β ladder)trans-80.6110.9169.4-64.1-87.4000108.1Q211 A215 P220 Y221 V223Q211-F213 HydrophobicContact CB-CD2 4.23Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.9Å; Q211-F213 WeakPolarHBondContact O-CD2 3.07Å; Q211-F213 PolarHBondContact O-N 2.88Å; F213-A215 PolarHBondContact O-N 3.44Å; F213-P220 CarbonylContact O-C 3.49Å; F213-P220 WeakPolarHBondContact O-CA 2.84Å; F213-Y221 HydrophobicContact CB-CD1 3.7Å; F213-Y221 HydrophobicContact CB-CD2 3.81Å; F213-Y221 HydrophobicContact CB-CE1 3.38Å; F213-Y221 HydrophobicContact CB-CE2 3.48Å; F213-Y221 VanDerWaalsContact CB-CE2 3.48Å; F213-Y221 HydrophobicContact CB-CG 3.91Å; F213-Y221 HydrophobicContact CD2-CE2 4.31Å; F213-Y221 WeakPolarHBondContact CD2-O 3.02Å; F213-Y221 HydrophobicContact CG-CD2 4.39Å; F213-Y221 HydrophobicContact CG-CE1 4.5Å; F213-Y221 AromaticContact CG-CE2 3.87Å; F213-Y221 HydrophobicContact CG-CE2 3.87Å; F213-Y221 AromaticContact CG-CZ 3.94Å; F213-Y221 PolarHBondContact N-O 3.32Å; F213-Y221 WeakPolarHBondContact O-CD1 2.96Å; F213-Y221 PolarHBondContact O-N 3.4Å; F213-V223 HydrophobicContact CD2-CG2 3.72Å; F213-V223 HydrophobicContact CE2-CB 4.1Å; F213-V223 HydrophobicContact CE2-CG2 3.59Å; F213-V223 HydrophobicContact CG-CG2 4.33Å; F213-V223 HydrophobicContact CZ-CG2 4.09Å
214V40Very low38.6Very low102 Ų102110.4 Ų110.462%0.61862%0.622SS**EExtended strand (participates in β ladder)trans-82.4111.6179.7-174.90000107.8C212 G218C212-V214 PolarHBondContact O-N 3.35Å; V214-G218 VanDerWaalsContact CG1-CA 3.47Å
215A42.9Very low39.2Very low32 Ų32116.6 Ų116.626%0.26463%0.633SS.*  trans-62.5162.9169.200000110.2F213 N217 G218 Q219 Y221F213-A215 PolarHBondContact O-N 3.44Å; A215-N217 WeakPolarHBondContact CB-OD1 3.41Å; A215-N217 PolarHBondContact O-N 3.34Å; A215-G218 PolarHBondContact O-N 2.75Å; A215-Q219 WeakPolarHBondContact CB-O 3.22Å; A215-Q219 PolarHBondContact N-O 3.01Å; A215-Y221 HydrophobicContact CB-CD1 4.06Å; A215-Y221 HydrophobicContact CB-CE1 4.3Å
216Q47.3Very low39.8Very low201 Ų201116.8 Ų116.894%0.93963%0.631SS**THydrogen-bonded Turntrans-57.3-12.5-176.6-149.9174.319.600114.3
217N50.9Low40.3Very low118 Ų118116.6 Ų116.663%0.63164%0.636SS**THydrogen-bonded Turntrans-100.78.6176.164.8-5.4000114.2A215 Q219A215-N217 WeakPolarHBondContact CB-OD1 3.41Å; A215-N217 PolarHBondContact O-N 3.34Å; N217-Q219 VanDerWaalsContact C-N 3.32Å; N217-Q219 PolarHBondContact O-N 3.07Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 3.42Å
218G41.4Very low40.6Very low52 Ų52113 Ų11354%0.53663%0.632SS.*SBendtrans82.30.7-178.100000115.2V214 A215V214-G218 VanDerWaalsContact CG1-CA 3.47Å; A215-G218 PolarHBondContact O-N 2.75Å
219Q39.3Very low40.6Very low123 Ų123116.9 Ų116.958%0.57564%0.636SS**  trans-86.8131-178.4-67.1-70.7-24.200111.6A215 N217A215-Q219 WeakPolarHBondContact CB-O 3.22Å; A215-Q219 PolarHBondContact N-O 3.01Å; N217-Q219 VanDerWaalsContact C-N 3.32Å; N217-Q219 PolarHBondContact O-N 3.07Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 3.42Å
220P43.7Very low40.8Very low84 Ų84114.2 Ų114.255%0.54564%0.635SS.*EExtended strand (participates in β ladder)trans-71.213717428.7-32.3000111.3C212 F213C212-P220 HydrophobicContact CB-CB 4.28Å; F213-P220 CarbonylContact O-C 3.49Å; F213-P220 WeakPolarHBondContact O-CA 2.84Å
221Y43Very low41.3Very low126 Ų126121.9 Ų121.949%0.49465%0.652SS.*EExtended strand (participates in β ladder)trans-123.5151.4167.767.6-91.3000111.9F213 A215 V223F213-Y221 HydrophobicContact CB-CD1 3.7Å; F213-Y221 HydrophobicContact CB-CD2 3.81Å; F213-Y221 HydrophobicContact CB-CE1 3.38Å; F213-Y221 HydrophobicContact CB-CE2 3.48Å; F213-Y221 VanDerWaalsContact CB-CE2 3.48Å; F213-Y221 HydrophobicContact CB-CG 3.91Å; F213-Y221 HydrophobicContact CD2-CE2 4.31Å; F213-Y221 WeakPolarHBondContact CD2-O 3.02Å; F213-Y221 HydrophobicContact CG-CD2 4.39Å; F213-Y221 HydrophobicContact CG-CE1 4.5Å; F213-Y221 AromaticContact CG-CE2 3.87Å; F213-Y221 HydrophobicContact CG-CE2 3.87Å; F213-Y221 AromaticContact CG-CZ 3.94Å; F213-Y221 PolarHBondContact N-O 3.32Å; F213-Y221 WeakPolarHBondContact O-CD1 2.96Å; F213-Y221 PolarHBondContact O-N 3.4Å; A215-Y221 HydrophobicContact CB-CD1 4.06Å; A215-Y221 HydrophobicContact CB-CE1 4.3Å; Y221-V223 HydrophobicContact CD2-CG2 4.14Å; Y221-V223 HydrophobicContact CE2-CG2 3.8Å
222Q39Very low41.2Very low168 Ų168125.4 Ų125.479%0.78567%0.666SS**  trans-102.3130179.6-173.1176.714.300109.8
223V48.2Very low41.4Very low59 Ų59130.7 Ų130.736%0.35868%0.678SS.*  trans-93.3121.8174.1179.30000109F213 Y221 Y225F213-V223 HydrophobicContact CD2-CG2 3.72Å; F213-V223 HydrophobicContact CE2-CB 4.1Å; F213-V223 HydrophobicContact CE2-CG2 3.59Å; F213-V223 HydrophobicContact CG-CG2 4.33Å; F213-V223 HydrophobicContact CZ-CG2 4.09Å; Y221-V223 HydrophobicContact CD2-CG2 4.14Å; Y221-V223 HydrophobicContact CE2-CG2 3.8Å; V223-Y225 HydrophobicContact CG1-CD2 4Å; V223-Y225 HydrophobicContact CG1-CE2 3.6Å
224V41.2Very low41.2Very low115 Ų115137.4 Ų137.470%0.69771%0.707SS**  trans-106.8122.5173-178.50000108.4
225Y39.7Very low40.9Very low173 Ų173138.9 Ų138.968%0.67872%0.72SS**PPolyproline II helixtrans-93.5129.4173.2-79.3-82.3000110.4V223V223-Y225 HydrophobicContact CG1-CD2 4Å; V223-Y225 HydrophobicContact CG1-CE2 3.6Å
226V41.5Very low40.3Very low138 Ų138147.7 Ų147.784%0.83675%0.752SS**PPolyproline II helixtrans-95.6122.7172.4-175.70000108.2
227D38.3Very low39.6Very low162 Ų162141.3 Ų141.387%0.86674%0.74SS**PPolyproline II helixtrans-73.3127.1-173.4-141.3-26.5000111.9
228G35.8Very low38.9Very low64 Ų64144.2 Ų144.266%0.6676%0.755SS**PPolyproline II helixtrans-103.5126.6-179.700000111.7
229K38Very low38.3Very low201 Ų201150.7 Ų150.787%0.87477%0.768SS**PPolyproline II helixtrans-55.9146.5-172.4-64.8-178.5-179.7178.10114.7
230P36.5Very low38Very low130 Ų130152.6 Ų152.684%0.84478%0.782SS**PPolyproline II helixtrans-79.7135.4-175.532-33.6000112.7
231K43.4Very low37.5Very low217 Ų217153.4 Ų153.494%0.94380%0.796SS**PPolyproline II helixtrans-101.2136.4171.7-88.9-172.5177.4176.60112.7
232K38.7Very low37Very low204 Ų204151.8 Ų151.889%0.88781%0.809SS**PPolyproline II helixtrans-67.6139.4-173.7-71.3177.3172.4178.10113.6
233K36.3Very low36.7Very low208 Ų208150.9 Ų150.990%0.90481%0.814SS**PPolyproline II helixtrans-55.8137.2167.3-68.7178.1175.7176.30111.7
234K40.4Very low35.8Very low209 Ų209151 Ų15191%0.90983%0.828SS**  trans-128.4132.9164.4-91-168175.2-175.80112.8
235C32.6Very low35.4Very low132 Ų132154.2 Ų154.289%0.89284%0.84SS**  trans-60.8150178.9-79.80000114.1
236K32.3Very low35.1Very low218 Ų218150.4 Ų150.495%0.94885%0.845SS**SBendtrans-50.8133.2160.1-80.6173.8171.2175.90111.1
237G32.1Very low34.7Very low66 Ų66149.9 Ų149.968%0.6885%0.847SS**  trans129.591.2156.800000113.1
238L36Very low34.3Very low179 Ų179145.1 Ų145.194%0.93784%0.836SS**  trans-172.3115.5138.4-99.1145.5000108.3
239K29.2Very low34.3Very low189 Ų189149.2 Ų149.282%0.82285%0.848SS**  trans-86.3146176.6-56.9172.9-178.8-179.30107.5
240N32.1Very low34.2Very low162 Ų162144.3 Ų144.387%0.86685%0.845SS**  trans64.598.3160.9-55-13.7000117.5
241A32.6Very low33.8Very low101 Ų101142.1 Ų142.184%0.83585%0.846SS**  trans-160.5103.6143.700000109
242A33.1Very low33.1Very low93 Ų93135 Ų13577%0.76983%0.834SS**  trans-68.6175.2153.500000109.1
243V31.9Very low32.6Very low148 Ų148136.2 Ų136.290%0.89784%0.835SS**  trans86118.8-174.1-170.10000110.7
244G29.4Very low32.7Very low63 Ų63134.3 Ų134.365%0.64983%0.833SS**  cis147.6169.618.600000107.1
245L34.6Very low32.2Very low182 Ų182128.2 Ų128.295%0.95382%0.822SS**  trans103.4103.1167.2-59.1174.1000118.2
246A33.3Very low32.2Very low93 Ų93127.2 Ų127.277%0.76982%0.816SS**  trans-63.6174.9166.100000115.3
247S32.7Very low32.2Very low126 Ų126128 Ų12888%0.88181%0.813SS**  trans11812515671.90000112.4
248G29.8Very low32.6Very low62 Ų62133.4 Ų133.464%0.63983%0.825SS**  cis-179.8177.2-1.200000111.2
249V36Very low32.5Very low151 Ų151135 Ų13592%0.91583%0.825SS**  trans57.7137.9151.5-86.40000119.5
250A34.6Very low32.5Very low98 Ų98129.4 Ų129.481%0.8182%0.822SS**  cis178.1154.1-12.800000107.8
251G28.4Very low32.3Very low83 Ų83125 Ų12586%0.85681%0.814SS**  trans125.7114.4144.600000118.8
252G30Very low32.2Very low67 Ų67130.6 Ų130.669%0.69182%0.82SS**  trans106.981.2149.400000116.1
253Y28.3Very low31.9Very low231 Ų231129.5 Ų129.591%0.90682%0.818SS**  50.5102.387.7-79.9-87.7000116.4
254L37.9Very low31.7Very low168 Ų168126.7 Ų126.788%0.8882%0.819SS**  trans167.986.3140.3-92160.5000107.3
255A30Very low31.7Very low80 Ų80127.4 Ų127.466%0.66183%0.826SS**  65.2100.979.400000114.3
256S31.2Very low31.4Very low111 Ų111128.6 Ų128.678%0.77682%0.824SS**  64.2136.4128.1-52.60000120.9
257R32.8Very low31.4Very low235 Ų235133.1 Ų133.189%0.88783%0.832SS**  trans86.9108.2164.9-55.4-179.5175.2174.3-1114.7
258L41.3Very low31.4Very low179 Ų179130.1 Ų130.194%0.93782%0.821SS**  -163.377.2122.5-93.4165.8000107.6
259F33.9Very low32Very low212 Ų212132.7 Ų132.793%0.9383%0.826SS**  trans-50.2145.9152.7-107.9-105.6000109.9
260G28.9Very low31.9Very low73 Ų73137 Ų13775%0.75383%0.826SS**  trans106.1110.3135.500000118
261G27.5Very low32.1Very low69 Ų69140.7 Ų140.771%0.71182%0.819SS**  91.3142.6114.300000119
262F31Very low32.3Very low218 Ų218139.7 Ų139.796%0.95681%0.809SS**  trans69.3125.6162.6-74-101.4000115.4
263G27Very low32.4Very low71 Ų71140.7 Ų140.773%0.73281%0.805SS**  cis117112.834.500000107.8
264G27.1Very low32.8Very low88 Ų88140.5 Ų140.591%0.90780%0.803SS**  trans81.4141.3162.500000117.4
265G28.6Very low32.6Very low78 Ų78136.1 Ų136.180%0.80479%0.787SS**  trans13392.8157.100000115.5M267G265-M267 PolarHBondContact O-N 3.27Å
266F30Very low32.7Very low208 Ų208136.8 Ų136.891%0.91279%0.786SS**  trans-44.7124.8161.2-85.8-114000112.7
267M32.3Very low32.9Very low188 Ų188138.4 Ų138.493%0.92679%0.785SS**  trans-158127.6148.9-82.5-57.1171.600108.7G265G265-M267 PolarHBondContact O-N 3.27Å
268G32.1Very low32.9Very low63 Ų63132.9 Ų132.965%0.64978%0.783SS**  trans-63.8173.6-170.400000116.2R270G268-R270 PolarHBondContact O-N 2.9Å
269P42.5Very low32.4Very low115 Ų115128.9 Ų128.975%0.74777%0.77SS**  trans-71.798.2-173.729.2-31.5000110.1W271P269-W271 PolarHBondContact O-N 3.43Å
270R35.5Very low32.3Very low243 Ų243123.5 Ų123.592%0.91775%0.75SS**  trans-70.4103160-176.2175174.5179-2.2106.9G268 G272G268-R270 PolarHBondContact O-N 2.9Å; R270-G272 PolarHBondContact O-N 2.96Å
271W37.7Very low32.2Very low174 Ų174125.1 Ų125.166%0.65975%0.75SS**  trans-64.3106.2177.2-79.559.1000108.9P269P269-W271 PolarHBondContact O-N 3.43Å
272G33.4Very low32.6Very low63 Ų63131.3 Ų131.365%0.64975%0.752SS**  trans-66.2134.5177.300000111.2R270 W274R270-G272 PolarHBondContact O-N 2.96Å; G272-W274 PolarHBondContact O-N 3.41Å
273S31Very low32.4Very low87 Ų87126.4 Ų126.461%0.60875%0.745SS**  trans-39.4128.3174.2-167.70000113.6S275S273-S275 PolarHBondContact O-N 2.72Å; S273-S275 PolarHBondContact OG-OG 3.26Å
274W36.4Very low32.6Very low228 Ų228134.3 Ų134.386%0.86477%0.771SS**SBendtrans-67.678.6166.5-70.2-30.5000110G272G272-W274 PolarHBondContact O-N 3.41Å
275S33.7Very low32.8Very low76 Ų76136.7 Ų136.753%0.53176%0.764SS.*  trans-139.32.6177.6-44.20000113.9S273S273-S275 PolarHBondContact O-N 2.72Å; S273-S275 PolarHBondContact OG-OG 3.26Å
276S31.9Very low33Very low94 Ų94139.7 Ų139.766%0.65776%0.762SS**SBendtrans-1117.3-171.2-44.40000115.1
277L37Very low33.2Very low144 Ų144135.9 Ų135.975%0.75475%0.753SS**SBendtrans-96.90.4177.1-67.4174.9000113.8S279 L280L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.2Å; L277-L280 HydrophobicContact CD2-CD1 3.81Å
278S31.6Very low33.3Very low119 Ų119132.9 Ų132.983%0.83274%0.743SS**THydrogen-bonded Turntrans-79.2-5.4177.5-30.80000114
279S31.3Very low33.3Very low95 Ų95137.3 Ų137.366%0.66475%0.749SS**THydrogen-bonded Turntrans-107.76.6-176.756.60000114.2L277 S281L277-S279 VanDerWaalsContact C-N 3.28Å; L277-S279 PolarHBondContact O-N 3.2Å; S279-S281 PolarHBondContact O-N 2.94Å
280L32.1Very low32.7Very low100 Ų100138.7 Ų138.752%0.52475%0.749SS.*  trans-8277.6177.1-74.8-177.4000110L277 W282L277-L280 HydrophobicContact CD2-CD1 3.81Å; L280-W282 PolarHBondContact O-N 3.28Å
281S26.7Very low32.5Very low107 Ų107131.3 Ų131.375%0.74874%0.737SS**  trans-65.2105.3156.3161.60000108.2S279S279-S281 PolarHBondContact O-N 2.94Å
282W35.6Very low32.1Very low198 Ų198128 Ų12875%0.7574%0.743SS**  trans-104.5115.9168.1-68.256.5000106.5L280 D284L280-W282 PolarHBondContact O-N 3.28Å; W282-D284 PolarHBondContact O-N 3.05Å
283S27.3Very low32Very low116 Ų116133.4 Ų133.481%0.81175%0.751SS**  trans-59.1122.7166.5-55.30000108.3
284D30.1Very low32.1Very low237 Ų237137.6 Ų137.6100%1.26776%0.764SS**  trans-63.60158.2-155.113.6000109.5W282W282-D284 PolarHBondContact O-N 3.05Å

Retrieved 284 of 284 residues in 451.8 ms (Link to these results)