A0A077Z1T9_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1T9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M90Very high93.7Very high50 Ų5057.3 Ų57.325%0.24632%0.319CS..  0-52.30-101.9177.3-7500113.9T3 Y4 A5 Y22 E80 A99 T101M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.14Å; M1-Y4 WeakPolarHBondContact O-CA 3.47Å; M1-Y4 WeakPolarHBondContact O-CB 2.87Å; M1-Y4 PolarHBondContact O-N 2.89Å; M1-A5 PolarHBondContact O-N 3.08Å; M1-Y22 HydrophobicContact CE-CD1 4.5Å; M1-Y22 HydrophobicContact CE-CE1 4.3Å; M1-Y22 HydrophobicContact CG-CD1 3.6Å; M1-Y22 HydrophobicContact CG-CD2 3.92Å; M1-Y22 HydrophobicContact CG-CE1 3.47Å; M1-Y22 VanDerWaalsContact CG-CE1 3.47Å; M1-Y22 HydrophobicContact CG-CE2 3.76Å; M1-Y22 HydrophobicContact CG-CG 3.83Å; M1-Y22 HydrophobicContact SD-CD1 3.69Å; M1-Y22 HydrophobicContact SD-CE1 3.94Å; M1-Y22 HydrophobicContact SD-CG 4.18Å; M1-E80 HydrophobicContact CE-CB 3.59Å; M1-A99 HydrophobicContact CB-CB 4.13Å; M1-A99 HydrophobicContact CG-CB 3.69Å; M1-A99 HydrophobicContact SD-CB 4.03Å; M1-T101 WeakPolarHBondContact CE-OG1 3.4Å
2A91.8Very high93.5Very high50 Ų5056.9 Ų56.941%0.41332%0.322SS..Hα-helixtrans-51.7-46.4-175.300000113.9Y4 A5 Q6A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 2.89Å; A2-A5 PolarHBondContact O-N 2.77Å; A2-Q6 WeakPolarHBondContact O-CB 3.49Å; A2-Q6 PolarHBondContact O-N 3.27Å
3T94.2Very high93.3Very high106 Ų10658.5 Ų58.565%0.6533%0.329SS*.Hα-helixtrans-59.7-39175.7-47.30000113.3M1 Q6 N7M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.14Å; T3-Q6 PolarHBondContact O-N 3.44Å; T3-N7 VanDerWaalsContact O-CG 3.25Å; T3-N7 PolarHBondContact O-N 2.62Å; T3-N7 PolarHBondContact O-ND2 2.98Å
4Y95.2Very high93.1Very high65 Ų6555.9 Ų55.926%0.25532%0.315SS..Hα-helixtrans-65.5-46.4176.5176.9-93.4000110.8M1 A2 Q6 N7 L8 S20 Y22 L24 A99M1-Y4 WeakPolarHBondContact O-CA 3.47Å; M1-Y4 WeakPolarHBondContact O-CB 2.87Å; M1-Y4 PolarHBondContact O-N 2.89Å; A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 2.89Å; Y4-Q6 VanDerWaalsContact C-N 3.32Å; Y4-Q6 PolarHBondContact O-N 2.98Å; Y4-N7 PolarHBondContact O-N 3.42Å; Y4-L8 HydrophobicContact CD1-CD1 3.95Å; Y4-L8 HydrophobicContact CD1-CG 4.5Å; Y4-L8 HydrophobicContact CE1-CD1 3.37Å; Y4-L8 HydrophobicContact CE1-CG 4.15Å; Y4-L8 WeakPolarHBondContact O-CG 3.38Å; Y4-L8 PolarHBondContact O-N 2.87Å; Y4-L8 VanDerWaalsContact O-N 3.08Å; Y4-S20 WeakPolarHBondContact CE1-OG 3.3Å; Y4-S20 WeakPolarHBondContact OH-CB 3.5Å; Y4-S20 PolarHBondContact OH-OG 3.01Å; Y4-Y22 AromaticContact CD1-CD2 3.54Å; Y4-Y22 HydrophobicContact CD1-CD2 3.54Å; Y4-Y22 HydrophobicContact CD1-CE2 4.04Å; Y4-Y22 AromaticContact CE1-CD2 3.85Å; Y4-Y22 HydrophobicContact CE1-CD2 3.85Å; Y4-Y22 AromaticContact CG-CD2 3.97Å; Y4-Y22 HydrophobicContact CG-CD2 3.97Å; Y4-Y22 AromaticContact CG-CE2 3.99Å; Y4-Y22 HydrophobicContact CG-CE2 3.99Å; Y4-L24 HydrophobicContact CE1-CD2 4.01Å; Y4-A99 HydrophobicContact CD1-CB 4.37Å
5A94.6Very high92.9Very high0 Ų058.7 Ų58.70%034%0.335CS..Hα-helixtrans-62.3-39.2175.800000112.1M1 A2 L8 A9 G82 V97 A99M1-A5 PolarHBondContact O-N 3.08Å; A2-A5 PolarHBondContact O-N 2.77Å; A5-L8 PolarHBondContact O-N 3.36Å; A5-A9 WeakPolarHBondContact O-CB 3.49Å; A5-A9 PolarHBondContact O-N 2.75Å; A5-G82 VanDerWaalsContact CB-O 3.31Å; A5-G82 WeakPolarHBondContact CB-O 3.4Å; A5-V97 HydrophobicContact CB-CB 4.46Å; A5-V97 HydrophobicContact CB-CG1 4.43Å; A5-V97 WeakPolarHBondContact CB-O 3.39Å; A5-A99 HydrophobicContact CB-CB 4.06Å
6Q94.5Very high92.5Very high61 Ų6157.9 Ų57.929%0.28534%0.337SS..Hα-helixtrans-62.4-43.2174.9-173.860.15400112.1A2 T3 Y4 L8 A9 N10 G84 R85A2-Q6 WeakPolarHBondContact O-CB 3.49Å; A2-Q6 PolarHBondContact O-N 3.27Å; T3-Q6 PolarHBondContact O-N 3.44Å; Y4-Q6 VanDerWaalsContact C-N 3.32Å; Y4-Q6 PolarHBondContact O-N 2.98Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 3.3Å; Q6-A9 PolarHBondContact O-N 2.84Å; Q6-N10 PolarHBondContact NE2-OD1 3Å; Q6-N10 PolarHBondContact O-N 3.24Å; Q6-N10 PolarHBondContact O-ND2 3.2Å; Q6-N10 PolarHBondContact O-OD1 3.39Å; Q6-G84 VanDerWaalsContact OE1-CA 3.23Å; Q6-R85 PolarHBondContact NE2-O 2.97Å; Q6-R85 PolarHBondContact OE1-O 3Å
7N95.9Very high92.3Very high95 Ų9557.4 Ų57.451%0.50834%0.336SS..Hα-helixtrans-62.9-39.2176-71.3-18.3000111.7T3 Y4 N10 T11T3-N7 VanDerWaalsContact O-CG 3.25Å; T3-N7 PolarHBondContact O-N 2.62Å; T3-N7 PolarHBondContact O-ND2 2.98Å; Y4-N7 PolarHBondContact O-N 3.42Å; N7-N10 PolarHBondContact O-N 3.04Å; N7-T11 WeakPolarHBondContact O-CG2 3.38Å
8L95.2Very high91.8Very high21 Ų2161.8 Ų61.811%0.1136%0.364CS..Hα-helixtrans-65.6-44.8173.6-67.7179.2000111.9Y4 A5 Q6 N10 T11 P17 L24 V97Y4-L8 HydrophobicContact CD1-CD1 3.95Å; Y4-L8 HydrophobicContact CD1-CG 4.5Å; Y4-L8 HydrophobicContact CE1-CD1 3.37Å; Y4-L8 HydrophobicContact CE1-CG 4.15Å; Y4-L8 WeakPolarHBondContact O-CG 3.38Å; Y4-L8 PolarHBondContact O-N 2.87Å; Y4-L8 VanDerWaalsContact O-N 3.08Å; A5-L8 PolarHBondContact O-N 3.36Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-L8 PolarHBondContact O-N 3.3Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 2.98Å; L8-T11 WeakPolarHBondContact O-CB 3.45Å; L8-T11 PolarHBondContact O-N 2.96Å; L8-T11 PolarHBondContact O-OG1 2.9Å; L8-P17 HydrophobicContact CD1-CG 4.38Å; L8-P17 HydrophobicContact CD2-CG 3.57Å; L8-L24 HydrophobicContact CD1-CD1 3.82Å; L8-L24 HydrophobicContact CD1-CD2 3.88Å; L8-V97 HydrophobicContact CB-CB 4.41Å; L8-V97 HydrophobicContact CB-CG1 4.11Å; L8-V97 HydrophobicContact CB-CG2 4.18Å; L8-V97 HydrophobicContact CD1-CG1 4.1Å
9A92.6Very high91.5Very high0 Ų066.4 Ų66.40%039%0.387CS..Hα-helixtrans-57.6-43.517700000111.2A5 Q6 T11 C12 A86 V97A5-A9 WeakPolarHBondContact O-CB 3.49Å; A5-A9 PolarHBondContact O-N 2.75Å; Q6-A9 PolarHBondContact O-N 2.84Å; A9-T11 PolarHBondContact O-N 3.37Å; A9-T11 VanDerWaalsContact O-N 3.1Å; A9-C12 PolarHBondContact O-N 3.16Å; A9-A86 VanDerWaalsContact C-CB 3.41Å; A9-A86 HydrophobicContact CB-CB 4.02Å; A9-A86 WeakPolarHBondContact O-CB 3.47Å; A9-V97 HydrophobicContact CB-CB 4.47Å; A9-V97 HydrophobicContact CB-CG2 4Å
10N93.4Very high91.4Very high94 Ų9463.5 Ų63.550%0.50337%0.37SS..Hα-helixtrans-60-21.8177.9-68.7-15.4000113.8Q6 N7 L8 C12Q6-N10 PolarHBondContact NE2-OD1 3Å; Q6-N10 PolarHBondContact O-N 3.24Å; Q6-N10 PolarHBondContact O-ND2 3.2Å; Q6-N10 PolarHBondContact O-OD1 3.39Å; N7-N10 PolarHBondContact O-N 3.04Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 2.98Å; N10-C12 PolarHBondContact O-N 2.91Å
11T93.8Very high91.3Very high88 Ų8866.9 Ų66.954%0.5438%0.383SS..THydrogen-bonded Turntrans-74.1-16.6174.372.90000113.2N7 L8 A9 N13N7-T11 WeakPolarHBondContact O-CG2 3.38Å; L8-T11 WeakPolarHBondContact O-CB 3.45Å; L8-T11 PolarHBondContact O-N 2.96Å; L8-T11 PolarHBondContact O-OG1 2.9Å; A9-T11 PolarHBondContact O-N 3.37Å; A9-T11 VanDerWaalsContact O-N 3.1Å; T11-N13 PolarHBondContact O-N 3.28Å; T11-N13 VanDerWaalsContact O-N 3.15Å; T11-N13 PolarHBondContact OG1-N 2.69Å
12C91Very high91.3Very high53 Ų5367 Ų6736%0.35838%0.381SS..THydrogen-bonded Turntrans54.128.5-174.6-72.40000114.1A9 N10 C88A9-C12 PolarHBondContact O-N 3.16Å; N10-C12 PolarHBondContact O-N 2.91Å; C12-C88 VanDerWaalsContact CA-SG 3.57Å; C12-C88 HydrophobicContact CB-CB 3.74Å; C12-C88 WeakPolarHBondContact CB-SG 3.48Å; C12-C88 WeakPolarHBondContact SG-CA 3.35Å; C12-C88 WeakPolarHBondContact SG-CB 3.07Å; C12-C88 CovalentContact SG-SG 2.03Å; C12-C88 PolarHBondContact SG-SG 3.43Å
13N91Very high91.3Very high77 Ų7764.7 Ų64.741%0.41236%0.362SS..  trans-111.6140.3176.5-167.5-6.5000110.6T11 T15 Y26T11-N13 PolarHBondContact O-N 3.28Å; T11-N13 VanDerWaalsContact O-N 3.15Å; T11-N13 PolarHBondContact OG1-N 2.69Å; N13-T15 WeakPolarHBondContact OD1-CB 3.42Å; N13-T15 PolarHBondContact OD1-N 2.65Å; N13-T15 PolarHBondContact OD1-OG1 3.49Å; N13-Y26 WeakPolarHBondContact O-CE1 3.38Å
14T90.5Very high91.3Very high22 Ų2260.1 Ų60.114%0.13533%0.333CS..  trans-95-2.8174.7450000113.1A16 Y26 K28 W65 L95T14-A16 PolarHBondContact O-N 3.49Å; T14-Y26 HydrophobicContact CG2-CD1 4.42Å; T14-K28 HydrophobicContact CG2-CD 4.1Å; T14-K28 HydrophobicContact CG2-CG 4.39Å; T14-W65 HydrophobicContact CG2-CD2 4.01Å; T14-W65 HydrophobicContact CG2-CE3 4.47Å; T14-W65 HydrophobicContact CG2-CG 4.16Å; T14-W65 WeakPolarHBondContact O-CB 3.31Å; T14-L95 HydrophobicContact CG2-CD1 3.95Å
15T90.4Very high91.2Very high99 Ų9957 Ų5761%0.60732%0.321SS*.  trans-74.6112.8174.4-49.20000109.1N13N13-T15 WeakPolarHBondContact OD1-CB 3.42Å; N13-T15 PolarHBondContact OD1-N 2.65Å; N13-T15 PolarHBondContact OD1-OG1 3.49Å
16A85.4Confident91.1Very high45 Ų4557.1 Ų57.137%0.37232%0.322SS..  trans-63136.7174.600000111.3T14 T18 L24 Y26T14-A16 PolarHBondContact O-N 3.49Å; A16-T18 PolarHBondContact O-N 3.44Å; A16-L24 HydrophobicContact CB-CD1 4.29Å; A16-Y26 WeakPolarHBondContact CA-OH 3.48Å; A16-Y26 HydrophobicContact CB-CE2 3.89Å
17P89Confident90.8Very high50 Ų5055 Ų5533%0.32531%0.311SS..  trans-59.3131.3169.9-19.829.7000110.7L8 N19 S20 Y26L8-P17 HydrophobicContact CD1-CG 4.38Å; L8-P17 HydrophobicContact CD2-CG 3.57Å; P17-N19 PolarHBondContact O-N 3.17Å; P17-S20 PolarHBondContact O-N 3.07Å; P17-Y26 WeakPolarHBondContact CD-OH 3.41Å
18T84.2Confident90.5Very high136 Ų13653.3 Ų53.383%0.83430%0.3SS*.THydrogen-bonded Turntrans-58.8-33-179.647.50000113.1A16A16-T18 PolarHBondContact O-N 3.44Å
19N86.3Confident89.9Confident150 Ų15053.5 Ų53.580%0.80230%0.301SS*.THydrogen-bonded Turntrans-106.726.9-177.3-63-19.3000113.1P17 Q21P17-N19 PolarHBondContact O-N 3.17Å; N19-Q21 PolarHBondContact O-N 3.49Å
20S89.8Confident89Confident7 Ų758 Ų585%0.04934%0.337CS..  trans-57.8139.3175.9-1700000110.5Y4 P17 Y22 K103Y4-S20 WeakPolarHBondContact CE1-OG 3.3Å; Y4-S20 WeakPolarHBondContact OH-CB 3.5Å; Y4-S20 PolarHBondContact OH-OG 3.01Å; P17-S20 PolarHBondContact O-N 3.07Å; S20-Y22 VanDerWaalsContact C-N 3.27Å; S20-Y22 PolarHBondContact OG-N 3.23Å; S20-Y22 PolarHBondContact OG-O 3.46Å; S20-K103 WeakPolarHBondContact O-CE 3.45Å; S20-K103 PolarHBondContact O-NZ 3.48Å
21Q87.8Confident87.6Confident135 Ų13556.9 Ų56.963%0.63134%0.337SS*.SBendtrans-81.1-10.8172.467.9-172.4-1.400112.9N19N19-Q21 PolarHBondContact O-N 3.49Å
22Y91.4Very high85.9Confident53 Ų5357.4 Ų57.421%0.20834%0.34CS..SBendtrans-113157.7-174.9-61.1-57.4000111.3M1 Y4 S20 A99 Y100M1-Y22 HydrophobicContact CE-CD1 4.5Å; M1-Y22 HydrophobicContact CE-CE1 4.3Å; M1-Y22 HydrophobicContact CG-CD1 3.6Å; M1-Y22 HydrophobicContact CG-CD2 3.92Å; M1-Y22 HydrophobicContact CG-CE1 3.47Å; M1-Y22 VanDerWaalsContact CG-CE1 3.47Å; M1-Y22 HydrophobicContact CG-CE2 3.76Å; M1-Y22 HydrophobicContact CG-CG 3.83Å; M1-Y22 HydrophobicContact SD-CD1 3.69Å; M1-Y22 HydrophobicContact SD-CE1 3.94Å; M1-Y22 HydrophobicContact SD-CG 4.18Å; Y4-Y22 AromaticContact CD1-CD2 3.54Å; Y4-Y22 HydrophobicContact CD1-CD2 3.54Å; Y4-Y22 HydrophobicContact CD1-CE2 4.04Å; Y4-Y22 AromaticContact CE1-CD2 3.85Å; Y4-Y22 HydrophobicContact CE1-CD2 3.85Å; Y4-Y22 AromaticContact CG-CD2 3.97Å; Y4-Y22 HydrophobicContact CG-CD2 3.97Å; Y4-Y22 AromaticContact CG-CE2 3.99Å; Y4-Y22 HydrophobicContact CG-CE2 3.99Å; S20-Y22 VanDerWaalsContact C-N 3.27Å; S20-Y22 PolarHBondContact OG-N 3.23Å; S20-Y22 PolarHBondContact OG-O 3.46Å; Y22-A99 HydrophobicContact CD2-CB 4.24Å; Y22-A99 HydrophobicContact CG-CB 4.22Å; Y22-Y100 WeakPolarHBondContact CA-O 3.31Å; Y22-Y100 VanDerWaalsContact CB-O 3.3Å; Y22-Y100 WeakPolarHBondContact CB-O 3.48Å
23G91.5Very high84.4Confident2 Ų256.5 Ų56.52%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-67.8142.4158.900000109.7A99 Y100G23-A99 CarbonylContact O-C 3.6Å; G23-A99 VanDerWaalsContact O-CA 3.31Å; G23-A99 WeakPolarHBondContact O-CA 3.47Å; G23-Y100 PolarHBondContact N-O 2.95Å; G23-Y100 PolarHBondContact O-N 2.04Å
24L93.3Very high82.8Confident9 Ų959.7 Ų59.75%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-131.8131.8-175.8-62.6174.5000110.7Y4 L8 A16 Y26 S68 V97 C98 A99Y4-L24 HydrophobicContact CE1-CD2 4.01Å; L8-L24 HydrophobicContact CD1-CD1 3.82Å; L8-L24 HydrophobicContact CD1-CD2 3.88Å; A16-L24 HydrophobicContact CB-CD1 4.29Å; L24-Y26 HydrophobicContact CB-CD2 4.46Å; L24-Y26 HydrophobicContact CB-CE2 3.78Å; L24-Y26 HydrophobicContact CD1-CE2 4.27Å; L24-S68 PolarHBondContact O-OG 2.79Å; L24-V97 HydrophobicContact CD2-CG1 4.27Å; L24-C98 WeakPolarHBondContact CA-O 3.35Å; L24-A99 HydrophobicContact CD2-CB 3.94Å
25G92.9Very high81.5Confident0 Ų059.4 Ų59.40%035%0.35CS..EExtended strand (participates in β ladder)trans-124.6135.1166.200000109.9Y40 C98G25-Y40 WeakPolarHBondContact CA-OH 3.48Å; G25-Y40 PolarHBondContact O-OH 3.26Å; G25-C98 PolarHBondContact N-O 3.44Å; G25-C98 PolarHBondContact O-N 3.08Å
26Y92.6Very high80.2Confident3 Ų355.7 Ų55.71%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-111.7139.7-176.8-69.7-101.1000109N13 T14 A16 P17 L24 W65 L69 L95 V97N13-Y26 WeakPolarHBondContact O-CE1 3.38Å; T14-Y26 HydrophobicContact CG2-CD1 4.42Å; A16-Y26 WeakPolarHBondContact CA-OH 3.48Å; A16-Y26 HydrophobicContact CB-CE2 3.89Å; P17-Y26 WeakPolarHBondContact CD-OH 3.41Å; L24-Y26 HydrophobicContact CB-CD2 4.46Å; L24-Y26 HydrophobicContact CB-CE2 3.78Å; L24-Y26 HydrophobicContact CD1-CE2 4.27Å; Y26-W65 WeakPolarHBondContact O-CZ3 3.36Å; Y26-L69 WeakPolarHBondContact O-CD2 3.29Å; Y26-L95 HydrophobicContact CD1-CD1 4.38Å; Y26-V97 HydrophobicContact CD1-CG1 4.34Å; Y26-V97 HydrophobicContact CD1-CG2 3.63Å; Y26-V97 HydrophobicContact CE1-CB 4.46Å; Y26-V97 HydrophobicContact CE1-CG1 4.02Å; Y26-V97 HydrophobicContact CE1-CG2 3.6Å
27F89.7Confident79.5Confident15 Ų1558.4 Ų58.47%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-141.7139.3178.2175.8-120.5000110.1I29 P35 E39 Y40 R43 L69 I96F27-I29 HydrophobicContact CD1-CG2 4.23Å; F27-I29 HydrophobicContact CE1-CG2 3.33Å; F27-I29 HydrophobicContact CE2-CG2 4.24Å; F27-I29 HydrophobicContact CZ-CG2 3.32Å; F27-P35 HydrophobicContact CE1-CB 4.15Å; F27-E39 HydrophobicContact CE1-CB 3.77Å; F27-E39 HydrophobicContact CZ-CB 3.81Å; F27-E39 WeakPolarHBondContact CZ-O 3.31Å; F27-Y40 HydrophobicContact CB-CD2 3.4Å; F27-Y40 HydrophobicContact CB-CE2 3.82Å; F27-Y40 HydrophobicContact CB-CG 4.45Å; F27-Y40 HydrophobicContact CD1-CD2 4.2Å; F27-Y40 HydrophobicContact CG-CD2 4.01Å; F27-R43 HydrophobicContact CD2-CB 3.74Å; F27-R43 HydrophobicContact CD2-CG 3.75Å; F27-R43 HydrophobicContact CE2-CB 3.46Å; F27-R43 VanDerWaalsContact CE2-CB 3.46Å; F27-R43 HydrophobicContact CE2-CG 3.7Å; F27-R43 HydrophobicContact CZ-CB 4.39Å; F27-L69 HydrophobicContact CB-CD2 4.48Å; F27-L69 HydrophobicContact CD2-CD2 4.41Å; F27-I96 HydrophobicContact CB-CB 4.36Å; F27-I96 HydrophobicContact CD1-CB 4.48Å; F27-I96 HydrophobicContact CD1-CD1 3.58Å; F27-I96 HydrophobicContact CD1-CG1 4.24Å; F27-I96 HydrophobicContact CE1-CD1 4.17Å; F27-I96 PolarHBondContact N-O 2.95Å; F27-I96 PolarHBondContact O-N 2.82Å
28K87.8Confident78.5Confident61 Ų6158.4 Ų58.427%0.26533%0.333SS..EExtended strand (participates in β ladder)trans-124.3140.3-178.7-77.2178.7163.4178.70109.9T14 W65 E93 T94 L95T14-K28 HydrophobicContact CG2-CD 4.1Å; T14-K28 HydrophobicContact CG2-CG 4.39Å; K28-W65 HydrophobicContact CB-CH2 4.46Å; K28-W65 HydrophobicContact CD-CH2 4.32Å; K28-W65 HydrophobicContact CD-CZ2 4.3Å; K28-W65 HydrophobicContact CG-CH2 4.48Å; K28-E93 IonicContact NZ-OE2 2.75Å; K28-T94 WeakPolarHBondContact CA-O 3.32Å; K28-L95 HydrophobicContact CG-CD1 3.73Å
29I83Confident78.2Confident25 Ų2555.8 Ų55.813%0.12831%0.311CS..EExtended strand (participates in β ladder)trans-125.6145.9167.161161.7000110.2F27 S31 P35 E93 T94F27-I29 HydrophobicContact CD1-CG2 4.23Å; F27-I29 HydrophobicContact CE1-CG2 3.33Å; F27-I29 HydrophobicContact CE2-CG2 4.24Å; F27-I29 HydrophobicContact CZ-CG2 3.32Å; I29-S31 WeakPolarHBondContact CD1-O 3.08Å; I29-S31 WeakPolarHBondContact CG1-O 3.31Å; I29-S31 PolarHBondContact O-N 2.92Å; I29-P35 HydrophobicContact CD1-CB 3.93Å; I29-P35 HydrophobicContact CD1-CG 3.83Å; I29-P35 HydrophobicContact CG1-CG 4.44Å; I29-P35 HydrophobicContact CG2-CB 4.39Å; I29-E93 CarbonylContact O-C 3.54Å; I29-E93 VanDerWaalsContact O-CA 3.26Å; I29-E93 WeakPolarHBondContact O-CA 3.37Å; I29-T94 HydrophobicContact CG1-CG2 4.4Å; I29-T94 PolarHBondContact N-O 3.27Å; I29-T94 PolarHBondContact O-N 2.76Å
30A75.2Confident78Confident93 Ų9348.7 Ų48.777%0.76927%0.273SS*.SBendtrans-74.2-12.8176.700000113.3R92A30-R92 VanDerWaalsContact O-O 3.11Å
31S64.2Low77.7Confident71 Ų7150.7 Ų50.750%0.49729%0.285SS..SBendtrans-99.9151.3-176.7-173.10000112.4I29 G33 T94I29-S31 WeakPolarHBondContact CD1-O 3.08Å; I29-S31 WeakPolarHBondContact CG1-O 3.31Å; I29-S31 PolarHBondContact O-N 2.92Å; S31-G33 PolarHBondContact O-N 2.99Å; S31-G33 PolarHBondContact OG-N 3.21Å; S31-T94 PolarHBondContact O-OG1 3.38Å
32V56.5Low77.5Confident100 Ų10045 Ų4561%0.60626%0.259SS*.SBendtrans-76.71.9169.8-111.80000112.9R85 T87V32-R85 PolarHBondContact O-NH2 2.8Å; V32-T87 HydrophobicContact CG1-CG2 3.6Å
33G59.6Low77.2Confident33 Ų3345.1 Ų45.134%0.3426%0.259SS..SBendtrans-56.2165.3173.900000113.4S31 P35 R85S31-G33 PolarHBondContact O-N 2.99Å; S31-G33 PolarHBondContact OG-N 3.21Å; G33-P35 WeakPolarHBondContact O-CD 3.28Å; G33-R85 PolarHBondContact O-NH2 3.42Å
34Q57.8Low77.1Confident145 Ų14545 Ų4568%0.67826%0.258SS*.  trans-84.4103166.4-68.2-76.32.800106.8A36 R85Q34-A36 PolarHBondContact O-N 3.27Å; Q34-R85 VanDerWaalsContact CD-CZ 3.47Å; Q34-R85 VanDerWaalsContact OE1-NH1 3.07Å
35P62.6Low76.8Confident16 Ų1647.6 Ų47.610%0.10427%0.27CS..  trans-59.9128170.822-29.2000108.3F27 I29 G33 E39 I96F27-P35 HydrophobicContact CE1-CB 4.15Å; I29-P35 HydrophobicContact CD1-CB 3.93Å; I29-P35 HydrophobicContact CD1-CG 3.83Å; I29-P35 HydrophobicContact CG1-CG 4.44Å; I29-P35 HydrophobicContact CG2-CB 4.39Å; G33-P35 WeakPolarHBondContact O-CD 3.28Å; P35-E39 VanDerWaalsContact CA-OE2 3.26Å; P35-E39 WeakPolarHBondContact CA-OE2 3.4Å; P35-E39 HydrophobicContact CB-CB 4.44Å; P35-E39 WeakPolarHBondContact CB-OE2 2.97Å; P35-I96 HydrophobicContact CB-CD1 3.57Å; P35-I96 HydrophobicContact CG-CD1 3.1Å; P35-I96 HydrophobicContact CG-CG1 3.73Å
36A64.6Low76.4Confident21 Ų2150.6 Ų50.617%0.17428%0.284CS..  trans-63.2152.1167.200000108.9Q34 Q38 E39Q34-A36 PolarHBondContact O-N 3.27Å; A36-Q38 HydrophobicContact CB-CB 4.02Å; A36-Q38 PolarHBondContact O-N 2.96Å; A36-E39 PolarHBondContact O-N 3.35Å
37L69.3Low76.1Confident101 Ų10150.4 Ų50.453%0.52928%0.283SS..Hα-helixtrans-51.7-24.7167.118062.7000111.1Y40 V41L37-Y40 HydrophobicContact CD1-CD1 4.49Å; L37-Y40 WeakPolarHBondContact O-CB 2.95Å; L37-Y40 PolarHBondContact O-N 2.96Å; L37-V41 PolarHBondContact O-N 3.42Å
38Q68.4Low75.9Confident50 Ų5051.4 Ų51.423%0.23429%0.288CS..Hα-helixtrans-61.5-47174-164.858.953.600113.9A36 Y40 V41 D42 K256A36-Q38 HydrophobicContact CB-CB 4.02Å; A36-Q38 PolarHBondContact O-N 2.96Å; Q38-Y40 PolarHBondContact O-N 3.42Å; Q38-Y40 VanDerWaalsContact O-N 3.16Å; Q38-V41 PolarHBondContact O-N 3.44Å; Q38-D42 PolarHBondContact NE2-OD1 3.45Å; Q38-D42 WeakPolarHBondContact O-CB 3.44Å; Q38-D42 VanDerWaalsContact O-CG 3.29Å; Q38-D42 PolarHBondContact O-N 2.95Å; Q38-K256 HydrophobicContact CG-CD 3.91Å
39E77.9Confident75.7Confident81 Ų8153 Ų5338%0.37930%0.299SS..Hα-helixtrans-60-31.9-179.5-65.1179-173.400111.7F27 P35 A36 R43F27-E39 HydrophobicContact CE1-CB 3.77Å; F27-E39 HydrophobicContact CZ-CB 3.81Å; F27-E39 WeakPolarHBondContact CZ-O 3.31Å; P35-E39 VanDerWaalsContact CA-OE2 3.26Å; P35-E39 WeakPolarHBondContact CA-OE2 3.4Å; P35-E39 HydrophobicContact CB-CB 4.44Å; P35-E39 WeakPolarHBondContact CB-OE2 2.97Å; A36-E39 PolarHBondContact O-N 3.35Å; E39-R43 WeakPolarHBondContact O-CB 2.99Å; E39-R43 PolarHBondContact O-N 3.08Å
40Y83.4Confident75.7Confident1 Ų156 Ų560%0.00432%0.316CS..Hα-helixtrans-65.8-40.9175.2179.4-88.7000112.5G25 F27 L37 Q38 A44 L69 V73 I96 C98 Y100G25-Y40 WeakPolarHBondContact CA-OH 3.48Å; G25-Y40 PolarHBondContact O-OH 3.26Å; F27-Y40 HydrophobicContact CB-CD2 3.4Å; F27-Y40 HydrophobicContact CB-CE2 3.82Å; F27-Y40 HydrophobicContact CB-CG 4.45Å; F27-Y40 HydrophobicContact CD1-CD2 4.2Å; F27-Y40 HydrophobicContact CG-CD2 4.01Å; L37-Y40 HydrophobicContact CD1-CD1 4.49Å; L37-Y40 WeakPolarHBondContact O-CB 2.95Å; L37-Y40 PolarHBondContact O-N 2.96Å; Q38-Y40 PolarHBondContact O-N 3.42Å; Q38-Y40 VanDerWaalsContact O-N 3.16Å; Y40-A44 PolarHBondContact O-N 3.25Å; Y40-L69 HydrophobicContact CD1-CD1 4.3Å; Y40-L69 HydrophobicContact CD2-CD1 3.98Å; Y40-L69 HydrophobicContact CE1-CD1 3.71Å; Y40-L69 HydrophobicContact CE2-CD1 3.34Å; Y40-L69 HydrophobicContact CG-CD1 4.4Å; Y40-L69 WeakPolarHBondContact OH-CD1 3.46Å; Y40-V73 HydrophobicContact CD1-CG2 4.08Å; Y40-V73 HydrophobicContact CE1-CG2 3.41Å; Y40-V73 VanDerWaalsContact CE1-CG2 3.41Å; Y40-I96 HydrophobicContact CD2-CG2 4.44Å; Y40-C98 HydrophobicContact CE1-CB 4.25Å; Y40-C98 HydrophobicContact CE2-CB 4.08Å; Y40-C98 WeakPolarHBondContact OH-CB 3.36Å; Y40-Y100 VanDerWaalsContact CE1-OH 3.29Å; Y40-Y100 WeakPolarHBondContact CE1-OH 3.42Å
41V83.4Confident76.2Confident50 Ų5054.7 Ų54.730%0.30329%0.293SS..Hα-helixtrans-75.9-43.6177.3177.80000110.9L37 Q38 R43 A44 E45 V73L37-V41 PolarHBondContact O-N 3.42Å; Q38-V41 PolarHBondContact O-N 3.44Å; V41-R43 PolarHBondContact O-N 2.89Å; V41-A44 WeakPolarHBondContact O-CA 3.48Å; V41-A44 WeakPolarHBondContact O-CB 3.33Å; V41-A44 PolarHBondContact O-N 3.49Å; V41-E45 PolarHBondContact O-N 2.03Å; V41-V73 HydrophobicContact CG1-CG1 4.42Å
42D82.3Confident77.2Confident16 Ų1652.4 Ų52.49%0.08627%0.273CS..Hα-helixtrans-57.4-39.9177.6-70.61.9000111Q38 A44 E45 E46 K256Q38-D42 PolarHBondContact NE2-OD1 3.45Å; Q38-D42 WeakPolarHBondContact O-CB 3.44Å; Q38-D42 VanDerWaalsContact O-CG 3.29Å; Q38-D42 PolarHBondContact O-N 2.95Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.1Å; D42-E45 PolarHBondContact O-N 3.29Å; D42-E46 WeakPolarHBondContact O-CB 3.44Å; D42-E46 PolarHBondContact O-N 2.95Å; D42-K256 IonicContact OD1-NZ 2.84Å; D42-K256 PolarHBondContact OD1-NZ 3.29Å; D42-K256 IonicContact OD2-NZ 3.92Å; D42-K256 PolarHBondContact OD2-NZ 3.05Å
43R85.9Confident78.4Confident54 Ų5449.9 Ų49.920%0.20426%0.256CS..Hα-helixtrans-64.9-38.8175.1-17857.4179.5169.13.6112.4F27 E39 V41 E45 E46 I47 E66 L69F27-R43 HydrophobicContact CD2-CB 3.74Å; F27-R43 HydrophobicContact CD2-CG 3.75Å; F27-R43 HydrophobicContact CE2-CB 3.46Å; F27-R43 VanDerWaalsContact CE2-CB 3.46Å; F27-R43 HydrophobicContact CE2-CG 3.7Å; F27-R43 HydrophobicContact CZ-CB 4.39Å; E39-R43 WeakPolarHBondContact O-CB 2.99Å; E39-R43 PolarHBondContact O-N 3.08Å; V41-R43 PolarHBondContact O-N 2.89Å; R43-E45 VanDerWaalsContact C-N 3.3Å; R43-E46 WeakPolarHBondContact CD-OE2 3.48Å; R43-E46 IonicContact CZ-OE2 3.74Å; R43-E46 IonicContact NH1-OE1 3.73Å; R43-E46 PolarHBondContact NH1-OE1 3.41Å; R43-E46 IonicContact NH1-OE2 2.74Å; R43-E46 PolarHBondContact NH1-OE2 2.03Å; R43-I47 HydrophobicContact CG-CD1 3.94Å; R43-I47 WeakPolarHBondContact O-CB 3.44Å; R43-I47 WeakPolarHBondContact O-CD1 3.42Å; R43-I47 WeakPolarHBondContact O-CG1 3.38Å; R43-I47 PolarHBondContact O-N 2.75Å; R43-E66 IonicContact CZ-OE1 3.93Å; R43-E66 IonicContact NE-OE1 3.49Å; R43-E66 IonicContact NH2-OE1 3.05Å; R43-E66 PolarHBondContact NH2-OE1 3.01Å; R43-L69 HydrophobicContact CB-CD2 4.16Å; R43-L69 HydrophobicContact CG-CD2 3.76Å
44A89.7Confident79.1Confident0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-64.7-38.9175.800000111.4Y40 V41 D42 I47 H48 L69 L70 V73 Y74Y40-A44 PolarHBondContact O-N 3.25Å; V41-A44 WeakPolarHBondContact O-CA 3.48Å; V41-A44 WeakPolarHBondContact O-CB 3.33Å; V41-A44 PolarHBondContact O-N 3.49Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 3.1Å; A44-I47 PolarHBondContact O-N 2.62Å; A44-H48 WeakPolarHBondContact O-CB 3.42Å; A44-H48 PolarHBondContact O-N 2.88Å; A44-L69 HydrophobicContact CB-CG 4.23Å; A44-L70 WeakPolarHBondContact O-CD1 3.42Å; A44-V73 HydrophobicContact CB-CB 3.66Å; A44-V73 HydrophobicContact CB-CG1 3.7Å; A44-V73 HydrophobicContact CB-CG2 3.76Å; A44-Y74 HydrophobicContact CB-CE2 4.11Å
45E85.4Confident79.9Confident63 Ų6351.1 Ų51.129%0.29426%0.259SS..Hα-helixtrans-66.4-44.1175.5-177.9164.4-163.800112.7V41 D42 R43 I47 H48 N49 Y74V41-E45 PolarHBondContact O-N 2.03Å; D42-E45 PolarHBondContact O-N 3.29Å; R43-E45 VanDerWaalsContact C-N 3.3Å; E45-I47 VanDerWaalsContact C-N 3.31Å; E45-I47 PolarHBondContact O-N 3.49Å; E45-H48 VanDerWaalsContact O-CB 3.28Å; E45-H48 WeakPolarHBondContact O-CB 3.09Å; E45-H48 PolarHBondContact O-N 2.89Å; E45-N49 WeakPolarHBondContact O-CB 3.06Å; E45-N49 VanDerWaalsContact O-CG 3.24Å; E45-N49 PolarHBondContact O-N 2.85Å; E45-N49 PolarHBondContact O-ND2 3.09Å; E45-Y74 WeakPolarHBondContact CA-OH 3.36Å; E45-Y74 VanDerWaalsContact CB-OH 3.24Å; E45-Y74 WeakPolarHBondContact CB-OH 3.36Å
46E84.9Confident80.8Confident63 Ų6356.6 Ų56.629%0.29428%0.281SS..Hα-helixtrans-58.8-45.5173.9-171.5-163.1158.800110.8D42 R43 H48 N49 L50D42-E46 WeakPolarHBondContact O-CB 3.44Å; D42-E46 PolarHBondContact O-N 2.95Å; R43-E46 WeakPolarHBondContact CD-OE2 3.48Å; R43-E46 IonicContact CZ-OE2 3.74Å; R43-E46 IonicContact NH1-OE1 3.73Å; R43-E46 PolarHBondContact NH1-OE1 3.41Å; R43-E46 IonicContact NH1-OE2 2.74Å; R43-E46 PolarHBondContact NH1-OE2 2.03Å; E46-H48 VanDerWaalsContact C-N 3.29Å; E46-H48 PolarHBondContact O-N 3.2Å; E46-N49 PolarHBondContact O-N 3.32Å; E46-L50 HydrophobicContact CG-CD1 3.79Å; E46-L50 HydrophobicContact CG-CG 4.46Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 WeakPolarHBondContact O-CG 3.07Å; E46-L50 PolarHBondContact O-N 2.74Å
47I87.6Confident81.6Confident0 Ų056.5 Ų56.50%028%0.278CS..Hα-helixtrans-61.2-42.6177.2-67.9160.7000110.9R43 A44 E45 F51 Y52 I62 E66 L69 L70R43-I47 HydrophobicContact CG-CD1 3.94Å; R43-I47 WeakPolarHBondContact O-CB 3.44Å; R43-I47 WeakPolarHBondContact O-CD1 3.42Å; R43-I47 WeakPolarHBondContact O-CG1 3.38Å; R43-I47 PolarHBondContact O-N 2.75Å; A44-I47 PolarHBondContact O-N 2.62Å; E45-I47 VanDerWaalsContact C-N 3.31Å; E45-I47 PolarHBondContact O-N 3.49Å; I47-F51 WeakPolarHBondContact O-CB 3.2Å; I47-F51 PolarHBondContact O-N 3.01Å; I47-Y52 PolarHBondContact O-N 3.27Å; I47-I62 HydrophobicContact CG2-CD1 3.42Å; I47-I62 VanDerWaalsContact CG2-CD1 3.42Å; I47-E66 HydrophobicContact CD1-CB 3.78Å; I47-E66 HydrophobicContact CD1-CG 4.4Å; I47-L69 HydrophobicContact CD1-CD2 4.01Å; I47-L70 HydrophobicContact CB-CB 4.4Å; I47-L70 HydrophobicContact CG2-CB 3.85Å; I47-L70 HydrophobicContact CG2-CD2 4.06Å; I47-L70 HydrophobicContact CG2-CG 4.36Å
48H85.5Confident82.3Confident35 Ų3556.7 Ų56.716%0.16228%0.276CS..Hα-helixtrans-57.4-53.6176.4175.1-97.5000110.8A44 E45 E46 L50 Y52 L70 Y74 Y111A44-H48 WeakPolarHBondContact O-CB 3.42Å; A44-H48 PolarHBondContact O-N 2.88Å; E45-H48 VanDerWaalsContact O-CB 3.28Å; E45-H48 WeakPolarHBondContact O-CB 3.09Å; E45-H48 PolarHBondContact O-N 2.89Å; E46-H48 VanDerWaalsContact C-N 3.29Å; E46-H48 PolarHBondContact O-N 3.2Å; H48-L50 PolarHBondContact O-N 3.26Å; H48-Y52 AromaticContact CD2-CD1 3.7Å; H48-Y52 AromaticContact NE2-CD1 3.9Å; H48-Y52 VanDerWaalsContact O-CB 3.3Å; H48-Y52 WeakPolarHBondContact O-CB 3.44Å; H48-Y52 PolarHBondContact O-N 2.86Å; H48-L70 HydrophobicContact CB-CD1 3.43Å; H48-L70 VanDerWaalsContact CB-CD1 3.43Å; H48-Y74 HydrophobicContact CB-CE2 4.05Å; H48-Y111 AromaticContact CD2-CE1 3.61Å; H48-Y111 AromaticContact NE2-CE1 3.4Å; H48-Y111 WeakPolarHBondContact NE2-CE1 3.33Å; H48-Y111 AromaticContact NE2-CZ 3.34Å; H48-Y111 VanDerWaalsContact NE2-CZ 3.34Å; H48-Y111 PolarHBondContact NE2-OH 3.3Å
49N82.1Confident83.2Confident94 Ų9455 Ų5550%0.50327%0.27SS..Hα-helixtrans-70.8-33.9-171.1-67.4-19.6000112.9E45 E46E45-N49 WeakPolarHBondContact O-CB 3.06Å; E45-N49 VanDerWaalsContact O-CG 3.24Å; E45-N49 PolarHBondContact O-N 2.85Å; E45-N49 PolarHBondContact O-ND2 3.09Å; E46-N49 PolarHBondContact O-N 3.32Å
50L83Confident83.7Confident90 Ų9055.5 Ų55.547%0.47128%0.279SS..Hα-helixtrans-93.7-31.8-174.4-64.3-179.3000114.2E46 H48E46-L50 HydrophobicContact CG-CD1 3.79Å; E46-L50 HydrophobicContact CG-CG 4.46Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 WeakPolarHBondContact O-CG 3.07Å; E46-L50 PolarHBondContact O-N 2.74Å; H48-L50 PolarHBondContact O-N 3.26Å
51F87.3Confident84Confident65 Ų6559.2 Ų59.229%0.28532%0.317SS..Hα-helixtrans-124.7-16-165.5-57.9-74.1000114.9I47 A59 T60 I62I47-F51 WeakPolarHBondContact O-CB 3.2Å; I47-F51 PolarHBondContact O-N 3.01Å; F51-A59 VanDerWaalsContact O-CA 3.29Å; F51-A59 WeakPolarHBondContact O-CA 3.42Å; F51-T60 WeakPolarHBondContact CB-O 3.5Å; F51-T60 VanDerWaalsContact CD1-O 3.26Å; F51-T60 WeakPolarHBondContact CD1-O 3.16Å; F51-T60 PolarHBondContact O-N 3.27Å; F51-T60 VanDerWaalsContact O-N 3.13Å; F51-I62 HydrophobicContact CB-CG2 3.83Å; F51-I62 HydrophobicContact CD1-CG2 3.73Å; F51-I62 HydrophobicContact CD2-CG2 3.35Å; F51-I62 HydrophobicContact CE1-CG2 4.07Å; F51-I62 HydrophobicContact CE2-CG2 3.74Å; F51-I62 HydrophobicContact CG-CG2 3.34Å; F51-I62 HydrophobicContact CZ-CG2 4.07Å
52Y85.2Confident84.4Confident22 Ų2258.3 Ų58.39%0.08631%0.311CS..EExtended strand (participates in β ladder)trans-90.9116.7-174.6-173.4-111.1000112.3I47 H48 Y54 N57 E58 A59 L70 F109 P110 Y111I47-Y52 PolarHBondContact O-N 3.27Å; H48-Y52 AromaticContact CD2-CD1 3.7Å; H48-Y52 AromaticContact NE2-CD1 3.9Å; H48-Y52 VanDerWaalsContact O-CB 3.3Å; H48-Y52 WeakPolarHBondContact O-CB 3.44Å; H48-Y52 PolarHBondContact O-N 2.86Å; Y52-Y54 HydrophobicContact CE1-CD2 4.07Å; Y52-N57 PolarHBondContact OH-OD1 3.02Å; Y52-E58 CarbonylContact C-O 3.29Å; Y52-E58 WeakPolarHBondContact CA-O 3.42Å; Y52-E58 VanDerWaalsContact CD2-O 3.29Å; Y52-E58 WeakPolarHBondContact CD2-O 3.06Å; Y52-A59 HydrophobicContact CD2-CB 4.1Å; Y52-L70 HydrophobicContact CD2-CD2 3.67Å; Y52-L70 HydrophobicContact CE2-CD2 4.42Å; Y52-L70 HydrophobicContact CG-CD2 3.86Å; Y52-F109 WeakPolarHBondContact OH-CD1 3.17Å; Y52-P110 HydrophobicContact CE1-CG 4.47Å; Y52-P110 WeakPolarHBondContact OH-CD 3.44Å; Y52-Y111 HydrophobicContact CE1-CE1 4.41Å
53D81.2Confident84.8Confident47 Ų4763 Ų6325%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-89.8102.8172.1-173.7-23000109.5T55 K56 N57 E58D53-T55 PolarHBondContact O-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CA 3.28Å; D53-T55 WeakPolarHBondContact OD1-CB 3.47Å; D53-T55 PolarHBondContact OD1-N 3.15Å; D53-T55 PolarHBondContact OD1-OG1 2.64Å; D53-K56 HydrophobicContact CB-CB 4.28Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 PolarHBondContact OD1-N 3.08Å; D53-K56 VanDerWaalsContact OD2-CD 3.26Å; D53-K56 WeakPolarHBondContact OD2-CD 3.29Å; D53-K56 WeakPolarHBondContact OD2-CE 3.36Å; D53-K56 IonicContact OD2-NZ 3.25Å; D53-K56 PolarHBondContact OD2-NZ 3.25Å; D53-N57 PolarHBondContact O-N 3.32Å; D53-E58 PolarHBondContact N-O 2.93Å; D53-E58 PolarHBondContact O-N 3.49Å
54Y74.8Confident85Confident83 Ų8369.1 Ų69.133%0.32536%0.355SS..THydrogen-bonded Turntrans-63-27.9177.9-171.9-91.3000112.8Y52 K56 F109 Y111Y52-Y54 HydrophobicContact CE1-CD2 4.07Å; Y54-K56 PolarHBondContact O-N 3.43Å; Y54-F109 HydrophobicContact CD2-CD1 4.05Å; Y54-F109 HydrophobicContact CD2-CE1 4.41Å; Y54-F109 HydrophobicContact CE1-CE1 4.5Å; Y54-F109 AromaticContact CE2-CD1 3.73Å; Y54-F109 HydrophobicContact CE2-CD1 3.73Å; Y54-F109 HydrophobicContact CE2-CE1 4.3Å; Y54-F109 HydrophobicContact CE2-CG 4.25Å; Y54-F109 WeakPolarHBondContact O-CE1 3.48Å; Y54-Y111 HydrophobicContact CD2-CE2 4.45Å; Y54-Y111 WeakPolarHBondContact CD2-OH 3.42Å; Y54-Y111 HydrophobicContact CE2-CE2 4.14Å
55T74.6Confident85Confident122 Ų12270.7 Ų70.775%0.74836%0.361SS*.THydrogen-bonded Turntrans-72.2-25.8179.468.30000112.1D53D53-T55 PolarHBondContact O-N 3.35Å; D53-T55 WeakPolarHBondContact OD1-CA 3.28Å; D53-T55 WeakPolarHBondContact OD1-CB 3.47Å; D53-T55 PolarHBondContact OD1-N 3.15Å; D53-T55 PolarHBondContact OD1-OG1 2.64Å
56K81.3Confident85.3Confident130 Ų13068.6 Ų68.657%0.56535%0.351SS*.THydrogen-bonded Turntrans-104-11.7-178.3-62.9-179.9-165.5133.20114.1D53 Y54 E58D53-K56 HydrophobicContact CB-CB 4.28Å; D53-K56 PolarHBondContact O-N 3.45Å; D53-K56 PolarHBondContact OD1-N 3.08Å; D53-K56 VanDerWaalsContact OD2-CD 3.26Å; D53-K56 WeakPolarHBondContact OD2-CD 3.29Å; D53-K56 WeakPolarHBondContact OD2-CE 3.36Å; D53-K56 IonicContact OD2-NZ 3.25Å; D53-K56 PolarHBondContact OD2-NZ 3.25Å; Y54-K56 PolarHBondContact O-N 3.43Å; K56-E58 VanDerWaalsContact C-N 3.27Å; K56-E58 HydrophobicContact CB-CB 4.15Å; K56-E58 HydrophobicContact CB-CG 4.29Å; K56-E58 PolarHBondContact O-N 2.89Å
57N80.5Confident85.5Confident20 Ų2067.8 Ų67.811%0.10735%0.347CS..THydrogen-bonded Turntrans5642.4-168.8-175.122.2000111.8Y52 D53 R71 R107 S108 F109Y52-N57 PolarHBondContact OH-OD1 3.02Å; D53-N57 PolarHBondContact O-N 3.32Å; N57-R71 PolarHBondContact O-NH2 2.84Å; N57-R71 PolarHBondContact OD1-NH1 2.9Å; N57-R71 PolarHBondContact OD1-NH2 3.47Å; N57-R107 PolarHBondContact ND2-O 3.18Å; N57-S108 VanDerWaalsContact ND2-C 3.29Å; N57-S108 PolarHBondContact ND2-N 3.34Å; N57-S108 PolarHBondContact ND2-O 3.48Å; N57-S108 PolarHBondContact OD1-O 3.37Å; N57-F109 HydrophobicContact CB-CD1 3.95Å; N57-F109 HydrophobicContact CB-CE1 3.47Å; N57-F109 VanDerWaalsContact CB-CE1 3.47Å; N57-F109 HydrophobicContact CB-CZ 3.93Å
58E84.6Confident85.6Confident105 Ų10568.8 Ų68.849%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-135.5146.9-174.2-74.2179.317500111Y52 D53 K56Y52-E58 CarbonylContact C-O 3.29Å; Y52-E58 WeakPolarHBondContact CA-O 3.42Å; Y52-E58 VanDerWaalsContact CD2-O 3.29Å; Y52-E58 WeakPolarHBondContact CD2-O 3.06Å; D53-E58 PolarHBondContact N-O 2.93Å; D53-E58 PolarHBondContact O-N 3.49Å; K56-E58 VanDerWaalsContact C-N 3.27Å; K56-E58 HydrophobicContact CB-CB 4.15Å; K56-E58 HydrophobicContact CB-CG 4.29Å; K56-E58 PolarHBondContact O-N 2.89Å
59A86.8Confident85.9Confident14 Ų1467.1 Ų67.112%0.11635%0.347CS..EExtended strand (participates in β ladder)trans-116.5124.5168.700000108.3F51 Y52 I62 Q67 L70F51-A59 VanDerWaalsContact O-CA 3.29Å; F51-A59 WeakPolarHBondContact O-CA 3.42Å; Y52-A59 HydrophobicContact CD2-CB 4.1Å; A59-I62 HydrophobicContact CB-CD1 3.55Å; A59-I62 HydrophobicContact CB-CG1 4.2Å; A59-Q67 HydrophobicContact CB-CG 4.14Å; A59-L70 HydrophobicContact CB-CD2 4.25Å
60T89Confident86.3Confident91 Ų9162.7 Ų62.756%0.55832%0.323SS*.  trans-118.4149.8-175.658.10000111.5F51F51-T60 WeakPolarHBondContact CB-O 3.5Å; F51-T60 VanDerWaalsContact CD1-O 3.26Å; F51-T60 WeakPolarHBondContact CD1-O 3.16Å; F51-T60 PolarHBondContact O-N 3.27Å; F51-T60 VanDerWaalsContact O-N 3.13Å
61G89.6Confident86.6Confident79 Ų7958.7 Ų58.781%0.81430%0.302SS*.SBendtrans85.54.1178.700000115.1
62I90.3Very high86.8Confident32 Ų3255.8 Ų55.816%0.16429%0.289CS..SBendtrans-121.2165-179.663.6175.4000111.9I47 F51 A59 E66 Q67I47-I62 HydrophobicContact CG2-CD1 3.42Å; I47-I62 VanDerWaalsContact CG2-CD1 3.42Å; F51-I62 HydrophobicContact CB-CG2 3.83Å; F51-I62 HydrophobicContact CD1-CG2 3.73Å; F51-I62 HydrophobicContact CD2-CG2 3.35Å; F51-I62 HydrophobicContact CE1-CG2 4.07Å; F51-I62 HydrophobicContact CE2-CG2 3.74Å; F51-I62 HydrophobicContact CG-CG2 3.34Å; F51-I62 HydrophobicContact CZ-CG2 4.07Å; A59-I62 HydrophobicContact CB-CD1 3.55Å; A59-I62 HydrophobicContact CB-CG1 4.2Å; I62-E66 HydrophobicContact CB-CB 4.2Å; I62-E66 HydrophobicContact CD1-CB 4.16Å; I62-Q67 HydrophobicContact CD1-CB 4.03Å
63Q91.4Very high87Confident113 Ų11356.2 Ų56.253%0.52829%0.294SS..  trans-76.8154.4175.8-58.6-170.8-12.300111.5W65 E66 Q67Q63-W65 VanDerWaalsContact C-N 3.27Å; Q63-W65 PolarHBondContact O-N 3.06Å; Q63-E66 HydrophobicContact CB-CG 4.34Å; Q63-E66 WeakPolarHBondContact CB-OE2 3.31Å; Q63-E66 PolarHBondContact N-OE2 2.85Å; Q63-E66 WeakPolarHBondContact O-CB 3.48Å; Q63-E66 PolarHBondContact O-N 3.1Å; Q63-Q67 PolarHBondContact O-N 3.49Å; Q63-Q67 VanDerWaalsContact O-N 3.13Å
64R89.8Confident87.2Confident183 Ų18356.8 Ų56.869%0.69129%0.293SS*.Hα-helixtrans-57.3-36.9-176.9-172.8176.9-178166.85.3113.7E66 Q67 S68 E106R64-E66 VanDerWaalsContact C-N 3.31Å; R64-Q67 PolarHBondContact O-N 3.37Å; R64-S68 PolarHBondContact O-N 2.91Å; R64-E106 IonicContact NH2-OE1 2.96Å; R64-E106 PolarHBondContact NH2-OE1 3.15Å
65W90.3Very high87.7Confident33 Ų3353.6 Ų53.613%0.12528%0.28CS..Hα-helixtrans-72.1-26.4179.463.6-94.4000112.6T14 Y26 K28 Q63 S68 L69T14-W65 HydrophobicContact CG2-CD2 4.01Å; T14-W65 HydrophobicContact CG2-CE3 4.47Å; T14-W65 HydrophobicContact CG2-CG 4.16Å; T14-W65 WeakPolarHBondContact O-CB 3.31Å; Y26-W65 WeakPolarHBondContact O-CZ3 3.36Å; K28-W65 HydrophobicContact CB-CH2 4.46Å; K28-W65 HydrophobicContact CD-CH2 4.32Å; K28-W65 HydrophobicContact CD-CZ2 4.3Å; K28-W65 HydrophobicContact CG-CH2 4.48Å; Q63-W65 VanDerWaalsContact C-N 3.27Å; Q63-W65 PolarHBondContact O-N 3.06Å; W65-S68 WeakPolarHBondContact O-CB 3.26Å; W65-S68 PolarHBondContact O-N 2.82Å; W65-L69 PolarHBondContact O-N 3.02Å
66E91.5Very high87.5Confident19 Ų1952.3 Ų52.39%0.08926%0.264CS..Hα-helixtrans-71.8-40.8172.5-63.2-179.7111.600110.5R43 I47 I62 Q63 R64 S68 L69 L70R43-E66 IonicContact CZ-OE1 3.93Å; R43-E66 IonicContact NE-OE1 3.49Å; R43-E66 IonicContact NH2-OE1 3.05Å; R43-E66 PolarHBondContact NH2-OE1 3.01Å; I47-E66 HydrophobicContact CD1-CB 3.78Å; I47-E66 HydrophobicContact CD1-CG 4.4Å; I62-E66 HydrophobicContact CB-CB 4.2Å; I62-E66 HydrophobicContact CD1-CB 4.16Å; Q63-E66 HydrophobicContact CB-CG 4.34Å; Q63-E66 WeakPolarHBondContact CB-OE2 3.31Å; Q63-E66 PolarHBondContact N-OE2 2.85Å; Q63-E66 WeakPolarHBondContact O-CB 3.48Å; Q63-E66 PolarHBondContact O-N 3.1Å; R64-E66 VanDerWaalsContact C-N 3.31Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 3.39Å; E66-L69 WeakPolarHBondContact O-CB 3.42Å; E66-L69 PolarHBondContact O-N 2.9Å; E66-L70 PolarHBondContact O-N 3.24Å
67Q90Very high86.9Confident46 Ų4648.4 Ų48.422%0.21525%0.248CC..Hα-helixtrans-60.7-40.6171.3-171.2178.533.400111.6A59 I62 Q63 R64 L70 R71A59-Q67 HydrophobicContact CB-CG 4.14Å; I62-Q67 HydrophobicContact CD1-CB 4.03Å; Q63-Q67 PolarHBondContact O-N 3.49Å; Q63-Q67 VanDerWaalsContact O-N 3.13Å; R64-Q67 PolarHBondContact O-N 3.37Å; Q67-L70 PolarHBondContact O-N 2.84Å; Q67-R71 WeakPolarHBondContact O-CB 3.48Å; Q67-R71 WeakPolarHBondContact O-CG 3.21Å; Q67-R71 PolarHBondContact O-N 3.26Å
68S89.8Confident86.4Confident22 Ų2250.7 Ų50.715%0.15427%0.27CS..Hα-helixtrans-62.4-42174.2-165.80000111.6L24 R64 W65 E66 R71 Q72 H104L24-S68 PolarHBondContact O-OG 2.79Å; R64-S68 PolarHBondContact O-N 2.91Å; W65-S68 WeakPolarHBondContact O-CB 3.26Å; W65-S68 PolarHBondContact O-N 2.82Å; E66-S68 VanDerWaalsContact C-N 3.28Å; E66-S68 PolarHBondContact O-N 3.39Å; S68-R71 PolarHBondContact O-N 3.37Å; S68-Q72 WeakPolarHBondContact O-CB 3.48Å; S68-Q72 PolarHBondContact O-N 3.01Å; S68-H104 PolarHBondContact OG-NE2 3.32Å
69L91.9Very high85.8Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-57.1-56.8174.4173.166.6000111Y26 F27 Y40 R43 A44 I47 W65 E66 R71 Q72 V73Y26-L69 WeakPolarHBondContact O-CD2 3.29Å; F27-L69 HydrophobicContact CB-CD2 4.48Å; F27-L69 HydrophobicContact CD2-CD2 4.41Å; Y40-L69 HydrophobicContact CD1-CD1 4.3Å; Y40-L69 HydrophobicContact CD2-CD1 3.98Å; Y40-L69 HydrophobicContact CE1-CD1 3.71Å; Y40-L69 HydrophobicContact CE2-CD1 3.34Å; Y40-L69 HydrophobicContact CG-CD1 4.4Å; Y40-L69 WeakPolarHBondContact OH-CD1 3.46Å; R43-L69 HydrophobicContact CB-CD2 4.16Å; R43-L69 HydrophobicContact CG-CD2 3.76Å; A44-L69 HydrophobicContact CB-CG 4.23Å; I47-L69 HydrophobicContact CD1-CD2 4.01Å; W65-L69 PolarHBondContact O-N 3.02Å; E66-L69 WeakPolarHBondContact O-CB 3.42Å; E66-L69 PolarHBondContact O-N 2.9Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-R71 PolarHBondContact O-N 2.9Å; L69-Q72 PolarHBondContact O-N 2.71Å; L69-V73 HydrophobicContact CD1-CG2 3.83Å; L69-V73 HydrophobicContact CG-CG2 4.5Å; L69-V73 WeakPolarHBondContact O-CB 3.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.75Å
70L90.2Very high85.6Confident0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-49.1-57.5176.716670.3000110.6A44 I47 H48 Y52 A59 E66 Q67 Q72 V73 Y74A44-L70 WeakPolarHBondContact O-CD1 3.42Å; I47-L70 HydrophobicContact CB-CB 4.4Å; I47-L70 HydrophobicContact CG2-CB 3.85Å; I47-L70 HydrophobicContact CG2-CD2 4.06Å; I47-L70 HydrophobicContact CG2-CG 4.36Å; H48-L70 HydrophobicContact CB-CD1 3.43Å; H48-L70 VanDerWaalsContact CB-CD1 3.43Å; Y52-L70 HydrophobicContact CD2-CD2 3.67Å; Y52-L70 HydrophobicContact CE2-CD2 4.42Å; Y52-L70 HydrophobicContact CG-CD2 3.86Å; A59-L70 HydrophobicContact CB-CD2 4.25Å; E66-L70 PolarHBondContact O-N 3.24Å; Q67-L70 PolarHBondContact O-N 2.84Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 2.61Å; L70-V73 PolarHBondContact O-N 3.46Å; L70-Y74 HydrophobicContact CD1-CD2 3.66Å; L70-Y74 HydrophobicContact CD1-CE2 3.86Å; L70-Y74 WeakPolarHBondContact O-CD2 3.36Å; L70-Y74 PolarHBondContact O-N 3.35Å; L70-Y74 VanDerWaalsContact O-N 3.16Å
71R89.3Confident85.6Confident7 Ų756.2 Ų56.23%0.02629%0.289CS..Hα-helixtrans-64.5-35.8-173.1-74-175.2178.9-73-3.2112.1N57 Q67 S68 L69 W75 H104 S108 P110N57-R71 PolarHBondContact O-NH2 2.84Å; N57-R71 PolarHBondContact OD1-NH1 2.9Å; N57-R71 PolarHBondContact OD1-NH2 3.47Å; Q67-R71 WeakPolarHBondContact O-CB 3.48Å; Q67-R71 WeakPolarHBondContact O-CG 3.21Å; Q67-R71 PolarHBondContact O-N 3.26Å; S68-R71 PolarHBondContact O-N 3.37Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-R71 PolarHBondContact O-N 2.9Å; R71-W75 WeakPolarHBondContact O-CB 2.96Å; R71-W75 PolarHBondContact O-N 3.03Å; R71-W75 VanDerWaalsContact O-N 3.08Å; R71-H104 HydrophobicContact CB-CB 3.93Å; R71-H104 WeakPolarHBondContact CB-CD2 3.35Å; R71-S108 PolarHBondContact NH1-O 3.38Å; R71-P110 HydrophobicContact CB-CB 4.33Å; R71-P110 HydrophobicContact CG-CB 4.36Å
72Q90.5Very high85.7Confident3 Ų352.9 Ų52.91%0.01426%0.255CS..Hα-helixtrans-76.9-39.4-176.9-167.959.965.500112.4S68 L69 L70 W75 Y100 Y102 H104S68-Q72 WeakPolarHBondContact O-CB 3.48Å; S68-Q72 PolarHBondContact O-N 3.01Å; L69-Q72 PolarHBondContact O-N 2.71Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 2.61Å; Q72-W75 WeakPolarHBondContact O-CB 3.39Å; Q72-W75 PolarHBondContact O-N 3.31Å; Q72-Y100 HydrophobicContact CB-CE2 4.43Å; Q72-Y100 HydrophobicContact CG-CD1 4.29Å; Q72-Y100 HydrophobicContact CG-CD2 3.22Å; Q72-Y100 HydrophobicContact CG-CE1 4.47Å; Q72-Y100 HydrophobicContact CG-CE2 3.48Å; Q72-Y100 VanDerWaalsContact CG-CE2 3.48Å; Q72-Y100 HydrophobicContact CG-CG 3.67Å; Q72-Y102 PolarHBondContact NE2-O 2.78Å; Q72-Y102 PolarHBondContact OE1-O 3.4Å; Q72-H104 VanDerWaalsContact OE1-N 3.08Å
73V89.3Confident85.7Confident31 Ų3153.7 Ų53.719%0.18826%0.263CS..Hα-helixtrans-63.5-45.6177167.10000110.9Y40 V41 A44 L69 L70 W75Y40-V73 HydrophobicContact CD1-CG2 4.08Å; Y40-V73 HydrophobicContact CE1-CG2 3.41Å; Y40-V73 VanDerWaalsContact CE1-CG2 3.41Å; V41-V73 HydrophobicContact CG1-CG1 4.42Å; A44-V73 HydrophobicContact CB-CB 3.66Å; A44-V73 HydrophobicContact CB-CG1 3.7Å; A44-V73 HydrophobicContact CB-CG2 3.76Å; L69-V73 HydrophobicContact CD1-CG2 3.83Å; L69-V73 HydrophobicContact CG-CG2 4.5Å; L69-V73 WeakPolarHBondContact O-CB 3.47Å; L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.75Å; L70-V73 PolarHBondContact O-N 3.46Å; V73-W75 VanDerWaalsContact C-N 3.3Å; V73-W75 PolarHBondContact O-N 3.19Å
74Y85.8Confident85.7Confident59 Ų5948.5 Ų48.523%0.23124%0.24CC..SBendtrans-85.8-0.4-179.8-73.3-75.7000114A44 E45 H48 L70 F76 P110 Y111A44-Y74 HydrophobicContact CB-CE2 4.11Å; E45-Y74 WeakPolarHBondContact CA-OH 3.36Å; E45-Y74 VanDerWaalsContact CB-OH 3.24Å; E45-Y74 WeakPolarHBondContact CB-OH 3.36Å; H48-Y74 HydrophobicContact CB-CE2 4.05Å; L70-Y74 HydrophobicContact CD1-CD2 3.66Å; L70-Y74 HydrophobicContact CD1-CE2 3.86Å; L70-Y74 WeakPolarHBondContact O-CD2 3.36Å; L70-Y74 PolarHBondContact O-N 3.35Å; L70-Y74 VanDerWaalsContact O-N 3.16Å; Y74-F76 PolarHBondContact O-N 3.3Å; Y74-P110 CarbonylContact C-O 3.57Å; Y74-P110 CarbonylContact O-C 3.59Å; Y74-P110 VanDerWaalsContact O-C 3.29Å; Y74-Y111 HydrophobicContact CD1-CD1 4.19Å; Y74-Y111 HydrophobicContact CG-CD1 4.09Å
75W85.7Confident85.7Confident17 Ų1743 Ų436%0.06422%0.219CC..  trans-59.8114.1-179.5-165.3-116.7000110R71 Q72 V73 E77 K103 H104 N105 P110R71-W75 WeakPolarHBondContact O-CB 2.96Å; R71-W75 PolarHBondContact O-N 3.03Å; R71-W75 VanDerWaalsContact O-N 3.08Å; Q72-W75 WeakPolarHBondContact O-CB 3.39Å; Q72-W75 PolarHBondContact O-N 3.31Å; V73-W75 VanDerWaalsContact C-N 3.3Å; V73-W75 PolarHBondContact O-N 3.19Å; W75-E77 VanDerWaalsContact CD1-O 3.3Å; W75-E77 PolarHBondContact O-N 2.85Å; W75-K103 PolarHBondContact NE1-O 2.86Å; W75-H104 HydrophobicContact CB-CB 4.32Å; W75-H104 VanDerWaalsContact CD2-CA 3.48Å; W75-H104 HydrophobicContact CD2-CB 3.87Å; W75-H104 HydrophobicContact CE3-CB 3.71Å; W75-H104 HydrophobicContact CG-CB 4.1Å; W75-H104 HydrophobicContact CZ3-CB 4.42Å; W75-N105 HydrophobicContact CH2-CB 3.45Å; W75-N105 VanDerWaalsContact CH2-CB 3.45Å; W75-N105 VanDerWaalsContact CH2-N 3.31Å; W75-N105 HydrophobicContact CZ2-CB 3.97Å; W75-N105 HydrophobicContact CZ3-CB 4.12Å; W75-P110 VanDerWaalsContact CA-O 3.28Å; W75-P110 WeakPolarHBondContact CA-O 3.46Å
76F69.4Low85.6Confident94 Ų9442 Ų4241%0.41222%0.217SC..SBendtrans-60.2-20.8-173.472.8-84.2000113.5Y74 P110 I112Y74-F76 PolarHBondContact O-N 3.3Å; F76-P110 PolarHBondContact N-O 2.87Å; F76-P110 VanDerWaalsContact N-O 3.15Å; F76-I112 HydrophobicContact CD1-CD1 4.34Å; F76-I112 HydrophobicContact CD1-CG1 4.31Å; F76-I112 HydrophobicContact CD2-CD1 4.29Å; F76-I112 HydrophobicContact CE1-CD1 4.43Å; F76-I112 HydrophobicContact CE2-CD1 4.36Å; F76-I112 HydrophobicContact CG-CD1 4.27Å; F76-I112 HydrophobicContact CG-CG1 4.43Å; F76-I112 HydrophobicContact CZ-CD1 4.44Å
77E69.4Low85.5Confident49 Ų4944.1 Ų44.123%0.22923%0.231CC..  trans-92.997.2174.9-47.5-169124.900111W75 Y102 R124W75-E77 VanDerWaalsContact CD1-O 3.3Å; W75-E77 PolarHBondContact O-N 2.85Å; E77-Y102 HydrophobicContact CB-CD2 4.26Å; E77-Y102 HydrophobicContact CB-CG 4.33Å; E77-Y102 WeakPolarHBondContact O-CD2 3.4Å; E77-R124 IonicContact OE1-CZ 3.24Å; E77-R124 VanDerWaalsContact OE1-CZ 3.25Å; E77-R124 IonicContact OE1-NE 2.99Å; E77-R124 PolarHBondContact OE1-NE 2.77Å; E77-R124 IonicContact OE1-NH2 2.69Å; E77-R124 PolarHBondContact OE1-NH2 3.31Å; E77-R124 IonicContact OE2-CZ 3.66Å; E77-R124 IonicContact OE2-NH2 3.78Å; E77-R124 PolarHBondContact OE2-NH2 2.94Å
78A69.6Low85.4Confident68 Ų6842.3 Ų42.356%0.56222%0.224SC*.  trans-129.2144.1172.900000111.2
79Q72.7Confident84.9Confident125 Ų12548.5 Ų48.558%0.58426%0.255SS*.SBendtrans-130.7-61174.8177.6176.6-1100110.4T101 Y102Q79-T101 HydrophobicContact CB-CG2 4.43Å; Q79-Y102 HydrophobicContact CB-CE2 3.77Å; Q79-Y102 PolarHBondContact OE1-OH 3.13Å; Q79-Y102 VanDerWaalsContact OE1-OH 3.04Å
80E82.4Confident84.1Confident118 Ų11860 Ų6055%0.55130%0.298SS*.  trans-128.2146.8175.7-70.5165.2-155.900110.5M1 T101M1-E80 HydrophobicContact CE-CB 3.59Å; E80-T101 WeakPolarHBondContact CB-OG1 3.28Å; E80-T101 PolarHBondContact N-OG1 3.46Å; E80-T101 PolarHBondContact O-N 2.92Å; E80-T101 VanDerWaalsContact O-N 3.08Å; E80-T101 PolarHBondContact O-OG1 3.16Å
81I88.7Confident83Confident82 Ų8264.3 Ų64.342%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-127.4144.3173.5-170.9179.6000109C98 A99 Y100I81-C98 HydrophobicContact CD1-CB 4.03Å; I81-C98 HydrophobicContact CG1-CB 4.18Å; I81-A99 CarbonylContact C-O 3.52Å; I81-A99 VanDerWaalsContact CA-O 3.31Å; I81-A99 WeakPolarHBondContact CA-O 3.3Å; I81-Y100 HydrophobicContact CB-CD1 4.39Å; I81-Y100 HydrophobicContact CB-CE1 4.37Å; I81-Y100 HydrophobicContact CD1-CD1 4.31Å; I81-Y100 HydrophobicContact CD1-CE1 3.56Å; I81-Y100 HydrophobicContact CD1-CE2 3.98Å; I81-Y100 WeakPolarHBondContact CD1-OH 3.38Å; I81-Y100 HydrophobicContact CG1-CD1 4.19Å; I81-Y100 HydrophobicContact CG1-CD2 4.44Å; I81-Y100 HydrophobicContact CG1-CE1 3.93Å; I81-Y100 HydrophobicContact CG1-CE2 4.19Å; I81-Y100 HydrophobicContact CG1-CG 4.45Å
82G91.2Very high82.5Confident10 Ų1074 Ų7410%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-146.1129168.300000110.9A5 A99A5-G82 VanDerWaalsContact CB-O 3.31Å; A5-G82 WeakPolarHBondContact CB-O 3.4Å; G82-A99 PolarHBondContact N-O 3.43Å; G82-A99 PolarHBondContact O-N 2.03Å
83C91.9Very high82.3Confident49 Ų4976.3 Ų76.333%0.33137%0.369SS..EExtended strand (participates in β ladder)trans-110.1158.5-176.3-50.60000112.4I96 V97 C98C83-I96 HydrophobicContact CB-CG2 4.25Å; C83-V97 CarbonylContact C-O 3.51Å; C83-V97 WeakPolarHBondContact CA-O 3.09Å; C83-V97 WeakPolarHBondContact CB-O 3.32Å; C83-C98 HydrophobicContact CB-CB 4.07Å; C83-C98 WeakPolarHBondContact CB-SG 3.26Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 2.9Å
84G91.1Very high82.2Confident4 Ų474.9 Ų74.94%0.04136%0.36CS..EExtended strand (participates in β ladder)trans-138.815417200000111Q6 I96 V97Q6-G84 VanDerWaalsContact OE1-CA 3.23Å; G84-I96 WeakPolarHBondContact O-CA 2.99Å; G84-V97 PolarHBondContact N-O 3.18Å; G84-V97 PolarHBondContact O-N 2.92Å
85R88.2Confident82.4Confident68 Ų6872.1 Ų72.126%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-133.4135.2-170.4173.8-179.2174.6-114.45.3111.1Q6 V32 G33 Q34 T94 L95Q6-R85 PolarHBondContact NE2-O 2.97Å; Q6-R85 PolarHBondContact OE1-O 3Å; V32-R85 PolarHBondContact O-NH2 2.8Å; G33-R85 PolarHBondContact O-NH2 3.42Å; Q34-R85 VanDerWaalsContact CD-CZ 3.47Å; Q34-R85 VanDerWaalsContact OE1-NH1 3.07Å; R85-T94 HydrophobicContact CG-CG2 3.59Å; R85-L95 CarbonylContact C-O 3.46Å; R85-L95 WeakPolarHBondContact CA-O 3.21Å
86A89.7Confident82.6Confident10 Ų1072 Ų728%0.08335%0.35CS..EExtended strand (participates in β ladder)trans-139.5138.7172.400000111.9A9 T94 L95A9-A86 VanDerWaalsContact C-CB 3.41Å; A9-A86 HydrophobicContact CB-CB 4.02Å; A9-A86 WeakPolarHBondContact O-CB 3.47Å; A86-T94 WeakPolarHBondContact O-CA 3.5Å; A86-L95 PolarHBondContact N-O 3.46Å; A86-L95 PolarHBondContact O-N 3.16Å
87T88.4Confident83.7Confident64 Ų6467.6 Ų67.639%0.39333%0.331SS..EExtended strand (participates in β ladder)trans-83.4121.6169.2-51.90000109.2V32V32-T87 HydrophobicContact CG1-CG2 3.6Å
88C87.8Confident84.8Confident9 Ų965.3 Ų65.36%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-100.598.9-173.6-61.50000110.7C12 R90 N91 R92 E93C12-C88 VanDerWaalsContact CA-SG 3.57Å; C12-C88 HydrophobicContact CB-CB 3.74Å; C12-C88 WeakPolarHBondContact CB-SG 3.48Å; C12-C88 WeakPolarHBondContact SG-CA 3.35Å; C12-C88 WeakPolarHBondContact SG-CB 3.07Å; C12-C88 CovalentContact SG-SG 2.03Å; C12-C88 PolarHBondContact SG-SG 3.43Å; C88-R90 PolarHBondContact O-N 3.49Å; C88-N91 PolarHBondContact O-N 2.96Å; C88-R92 PolarHBondContact O-N 3.01Å; C88-R92 VanDerWaalsContact O-N 3.1Å; C88-E93 WeakPolarHBondContact CB-O 3.45Å; C88-E93 PolarHBondContact N-O 3.2Å
89N79.8Confident85.9Confident151 Ų15162 Ų6281%0.80729%0.293SS*.THydrogen-bonded Turntrans-52.8-33-174.1-70.8-21.7000114.5N91N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 3.38Å
90R74.2Confident86.8Confident241 Ų24157.1 Ų57.191%0.90927%0.27SS*.THydrogen-bonded Turntrans-63-34.9-175.8-166.4177-177.2172.30.6112.9C88C88-R90 PolarHBondContact O-N 3.49Å
91N68.9Low87.1Confident92 Ų9253.4 Ų53.449%0.49226%0.255SS..THydrogen-bonded Turntrans-119-1.9-173.6-61.7-6.9000113.4C88 N89 E93C88-N91 PolarHBondContact O-N 2.96Å; N89-N91 VanDerWaalsContact C-N 3.29Å; N89-N91 PolarHBondContact O-N 3.38Å; N91-E93 HydrophobicContact CB-CB 4.11Å; N91-E93 VanDerWaalsContact CB-CD 3.44Å; N91-E93 HydrophobicContact CB-CG 3.61Å; N91-E93 WeakPolarHBondContact CB-OE2 3.36Å; N91-E93 PolarHBondContact ND2-OE2 2.94Å; N91-E93 PolarHBondContact O-N 3.13Å
92R78.1Confident86.8Confident209 Ų20952.5 Ų52.579%0.78925%0.247SC*.THydrogen-bonded Turntrans54.525.9-166.7-57.2-176.9176.5-173.4-0.7113.2A30 C88A30-R92 VanDerWaalsContact O-O 3.11Å; C88-R92 PolarHBondContact O-N 3.01Å; C88-R92 VanDerWaalsContact O-N 3.1Å
93E85.4Confident86.7Confident53 Ų5357.4 Ų57.425%0.24827%0.265CS..EExtended strand (participates in β ladder)trans-94.8151.9178.8-69169.8163.900110.2K28 I29 C88 N91K28-E93 IonicContact NZ-OE2 2.75Å; I29-E93 CarbonylContact O-C 3.54Å; I29-E93 VanDerWaalsContact O-CA 3.26Å; I29-E93 WeakPolarHBondContact O-CA 3.37Å; C88-E93 WeakPolarHBondContact CB-O 3.45Å; C88-E93 PolarHBondContact N-O 3.2Å; N91-E93 HydrophobicContact CB-CB 4.11Å; N91-E93 VanDerWaalsContact CB-CD 3.44Å; N91-E93 HydrophobicContact CB-CG 3.61Å; N91-E93 WeakPolarHBondContact CB-OE2 3.36Å; N91-E93 PolarHBondContact ND2-OE2 2.94Å; N91-E93 PolarHBondContact O-N 3.13Å
94T87.4Confident86.4Confident0 Ų056.2 Ų56.20%026%0.255CS..EExtended strand (participates in β ladder)trans-101.6125.6164.7-56.90000108.6K28 I29 S31 R85 A86K28-T94 WeakPolarHBondContact CA-O 3.32Å; I29-T94 HydrophobicContact CG1-CG2 4.4Å; I29-T94 PolarHBondContact N-O 3.27Å; I29-T94 PolarHBondContact O-N 2.76Å; S31-T94 PolarHBondContact O-OG1 3.38Å; R85-T94 HydrophobicContact CG-CG2 3.59Å; A86-T94 WeakPolarHBondContact O-CA 3.5Å
95L89.6Confident85.8Confident1 Ų159.5 Ų59.51%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-98.4128.3173.8-178.666.5000109.9T14 Y26 K28 R85 A86 V97T14-L95 HydrophobicContact CG2-CD1 3.95Å; Y26-L95 HydrophobicContact CD1-CD1 4.38Å; K28-L95 HydrophobicContact CG-CD1 3.73Å; R85-L95 CarbonylContact C-O 3.46Å; R85-L95 WeakPolarHBondContact CA-O 3.21Å; A86-L95 PolarHBondContact N-O 3.46Å; A86-L95 PolarHBondContact O-N 3.16Å; L95-V97 HydrophobicContact CD2-CG2 4.25Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
96I90Very high85.5Confident16 Ų1661.1 Ų61.18%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-108.1137.1165.3-50176.2000108.9F27 P35 Y40 C83 G84F27-I96 HydrophobicContact CB-CB 4.36Å; F27-I96 HydrophobicContact CD1-CB 4.48Å; F27-I96 HydrophobicContact CD1-CD1 3.58Å; F27-I96 HydrophobicContact CD1-CG1 4.24Å; F27-I96 HydrophobicContact CE1-CD1 4.17Å; F27-I96 PolarHBondContact N-O 2.95Å; F27-I96 PolarHBondContact O-N 2.82Å; P35-I96 HydrophobicContact CB-CD1 3.57Å; P35-I96 HydrophobicContact CG-CD1 3.1Å; P35-I96 HydrophobicContact CG-CG1 3.73Å; Y40-I96 HydrophobicContact CD2-CG2 4.44Å; C83-I96 HydrophobicContact CB-CG2 4.25Å; G84-I96 WeakPolarHBondContact O-CA 2.99Å
97V92.5Very high84.9Confident0 Ų071.5 Ų71.50%032%0.319CS..EExtended strand (participates in β ladder)trans-121.9130.8167.2-174.40000107.4A5 L8 A9 L24 Y26 C83 G84 L95A5-V97 HydrophobicContact CB-CB 4.46Å; A5-V97 HydrophobicContact CB-CG1 4.43Å; A5-V97 WeakPolarHBondContact CB-O 3.39Å; L8-V97 HydrophobicContact CB-CB 4.41Å; L8-V97 HydrophobicContact CB-CG1 4.11Å; L8-V97 HydrophobicContact CB-CG2 4.18Å; L8-V97 HydrophobicContact CD1-CG1 4.1Å; A9-V97 HydrophobicContact CB-CB 4.47Å; A9-V97 HydrophobicContact CB-CG2 4Å; L24-V97 HydrophobicContact CD2-CG1 4.27Å; Y26-V97 HydrophobicContact CD1-CG1 4.34Å; Y26-V97 HydrophobicContact CD1-CG2 3.63Å; Y26-V97 HydrophobicContact CE1-CB 4.46Å; Y26-V97 HydrophobicContact CE1-CG1 4.02Å; Y26-V97 HydrophobicContact CE1-CG2 3.6Å; C83-V97 CarbonylContact C-O 3.51Å; C83-V97 WeakPolarHBondContact CA-O 3.09Å; C83-V97 WeakPolarHBondContact CB-O 3.32Å; G84-V97 PolarHBondContact N-O 3.18Å; G84-V97 PolarHBondContact O-N 2.92Å; L95-V97 HydrophobicContact CD2-CG2 4.25Å; L95-V97 HydrophobicContact CG-CG2 4.21Å
98C92.8Very high84.3Confident1 Ų170.5 Ų70.51%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-113.9128.8169.5-64.30000109.8L24 G25 Y40 I81 C83 Y100L24-C98 WeakPolarHBondContact CA-O 3.35Å; G25-C98 PolarHBondContact N-O 3.44Å; G25-C98 PolarHBondContact O-N 3.08Å; Y40-C98 HydrophobicContact CE1-CB 4.25Å; Y40-C98 HydrophobicContact CE2-CB 4.08Å; Y40-C98 WeakPolarHBondContact OH-CB 3.36Å; I81-C98 HydrophobicContact CD1-CB 4.03Å; I81-C98 HydrophobicContact CG1-CB 4.18Å; C83-C98 HydrophobicContact CB-CB 4.07Å; C83-C98 WeakPolarHBondContact CB-SG 3.26Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 2.9Å; C98-Y100 HydrophobicContact CB-CE2 3.8Å
99A93.4Very high83.8Confident0 Ų073.8 Ų73.80%033%0.328CS..EExtended strand (participates in β ladder)trans-99.4137.1173.900000110.1M1 Y4 A5 Y22 G23 L24 I81 G82M1-A99 HydrophobicContact CB-CB 4.13Å; M1-A99 HydrophobicContact CG-CB 3.69Å; M1-A99 HydrophobicContact SD-CB 4.03Å; Y4-A99 HydrophobicContact CD1-CB 4.37Å; A5-A99 HydrophobicContact CB-CB 4.06Å; Y22-A99 HydrophobicContact CD2-CB 4.24Å; Y22-A99 HydrophobicContact CG-CB 4.22Å; G23-A99 CarbonylContact O-C 3.6Å; G23-A99 VanDerWaalsContact O-CA 3.31Å; G23-A99 WeakPolarHBondContact O-CA 3.47Å; L24-A99 HydrophobicContact CD2-CB 3.94Å; I81-A99 CarbonylContact C-O 3.52Å; I81-A99 VanDerWaalsContact CA-O 3.31Å; I81-A99 WeakPolarHBondContact CA-O 3.3Å; G82-A99 PolarHBondContact N-O 3.43Å; G82-A99 PolarHBondContact O-N 2.03Å
100Y91.5Very high83.6Confident22 Ų2266.6 Ų66.69%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-120.1147.7-178-67.7-104.2000110.4Y22 G23 Y40 Q72 I81 C98 Y102Y22-Y100 WeakPolarHBondContact CA-O 3.31Å; Y22-Y100 VanDerWaalsContact CB-O 3.3Å; Y22-Y100 WeakPolarHBondContact CB-O 3.48Å; G23-Y100 PolarHBondContact N-O 2.95Å; G23-Y100 PolarHBondContact O-N 2.04Å; Y40-Y100 VanDerWaalsContact CE1-OH 3.29Å; Y40-Y100 WeakPolarHBondContact CE1-OH 3.42Å; Q72-Y100 HydrophobicContact CB-CE2 4.43Å; Q72-Y100 HydrophobicContact CG-CD1 4.29Å; Q72-Y100 HydrophobicContact CG-CD2 3.22Å; Q72-Y100 HydrophobicContact CG-CE1 4.47Å; Q72-Y100 HydrophobicContact CG-CE2 3.48Å; Q72-Y100 VanDerWaalsContact CG-CE2 3.48Å; Q72-Y100 HydrophobicContact CG-CG 3.67Å; I81-Y100 HydrophobicContact CB-CD1 4.39Å; I81-Y100 HydrophobicContact CB-CE1 4.37Å; I81-Y100 HydrophobicContact CD1-CD1 4.31Å; I81-Y100 HydrophobicContact CD1-CE1 3.56Å; I81-Y100 HydrophobicContact CD1-CE2 3.98Å; I81-Y100 WeakPolarHBondContact CD1-OH 3.38Å; I81-Y100 HydrophobicContact CG1-CD1 4.19Å; I81-Y100 HydrophobicContact CG1-CD2 4.44Å; I81-Y100 HydrophobicContact CG1-CE1 3.93Å; I81-Y100 HydrophobicContact CG1-CE2 4.19Å; I81-Y100 HydrophobicContact CG1-CG 4.45Å; C98-Y100 HydrophobicContact CB-CE2 3.8Å; Y100-Y102 PolarHBondContact O-N 3.09Å
101T87.6Confident83.5Confident40 Ų4056.7 Ų56.725%0.24525%0.252CS..SBendtrans-57.3-39.6178.7-48.60000111.9M1 Q79 E80M1-T101 WeakPolarHBondContact CE-OG1 3.4Å; Q79-T101 HydrophobicContact CB-CG2 4.43Å; E80-T101 WeakPolarHBondContact CB-OG1 3.28Å; E80-T101 PolarHBondContact N-OG1 3.46Å; E80-T101 PolarHBondContact O-N 2.92Å; E80-T101 VanDerWaalsContact O-N 3.08Å; E80-T101 PolarHBondContact O-OG1 3.16Å
102Y83.7Confident83.1Confident63 Ų6355.9 Ų55.925%0.24725%0.247CC..SBendtrans-114.7139.2-177-57.3-76.1000110.4Q72 E77 Q79 Y100 R124Q72-Y102 PolarHBondContact NE2-O 2.78Å; Q72-Y102 PolarHBondContact OE1-O 3.4Å; E77-Y102 HydrophobicContact CB-CD2 4.26Å; E77-Y102 HydrophobicContact CB-CG 4.33Å; E77-Y102 WeakPolarHBondContact O-CD2 3.4Å; Q79-Y102 HydrophobicContact CB-CE2 3.77Å; Q79-Y102 PolarHBondContact OE1-OH 3.13Å; Q79-Y102 VanDerWaalsContact OE1-OH 3.04Å; Y100-Y102 PolarHBondContact O-N 3.09Å; Y102-R124 PolarHBondContact OH-NH1 3.27Å
103K88.7Confident82Confident112 Ų11251.5 Ų51.549%0.48724%0.236SC..PPolyproline II helixtrans-79.3139.4172-64177.8179.8-176.60109.5S20 W75S20-K103 WeakPolarHBondContact O-CE 3.45Å; S20-K103 PolarHBondContact O-NZ 3.48Å; W75-K103 PolarHBondContact NE1-O 2.86Å
104H84.9Confident80.3Confident25 Ų2554 Ų5412%0.11625%0.249CC..PPolyproline II helixtrans-59.2150.2165.671.753.6000111.2S68 R71 Q72 W75 E106S68-H104 PolarHBondContact OG-NE2 3.32Å; R71-H104 HydrophobicContact CB-CB 3.93Å; R71-H104 WeakPolarHBondContact CB-CD2 3.35Å; Q72-H104 VanDerWaalsContact OE1-N 3.08Å; W75-H104 HydrophobicContact CB-CB 4.32Å; W75-H104 VanDerWaalsContact CD2-CA 3.48Å; W75-H104 HydrophobicContact CD2-CB 3.87Å; W75-H104 HydrophobicContact CE3-CB 3.71Å; W75-H104 HydrophobicContact CG-CB 4.1Å; W75-H104 HydrophobicContact CZ3-CB 4.42Å; H104-E106 VanDerWaalsContact CE1-CG 3.42Å; H104-E106 WeakPolarHBondContact CE1-CG 3.32Å
105N78.9Confident78.4Confident73 Ų7363.4 Ų63.439%0.3929%0.293SS..PPolyproline II helixtrans-94.9116166.1-176.71.7000109.5W75 R107 S108W75-N105 HydrophobicContact CH2-CB 3.45Å; W75-N105 VanDerWaalsContact CH2-CB 3.45Å; W75-N105 VanDerWaalsContact CH2-N 3.31Å; W75-N105 HydrophobicContact CZ2-CB 3.97Å; W75-N105 HydrophobicContact CZ3-CB 4.12Å; N105-R107 PolarHBondContact O-N 2.69Å; N105-R107 VanDerWaalsContact O-N 3.17Å; N105-R107 PolarHBondContact OD1-N 2.91Å; N105-S108 PolarHBondContact ND2-OG 3.05Å; N105-S108 PolarHBondContact O-N 3.06Å
106E81.9Confident76.6Confident102 Ų10267.4 Ų67.448%0.47733%0.334SS..THydrogen-bonded Turntrans-60-26.1178.1-66.9-179171.400112.6R64 H104 S108R64-E106 IonicContact NH2-OE1 2.96Å; R64-E106 PolarHBondContact NH2-OE1 3.15Å; H104-E106 VanDerWaalsContact CE1-CG 3.42Å; H104-E106 WeakPolarHBondContact CE1-CG 3.32Å; E106-S108 VanDerWaalsContact C-N 3.32Å
107R77Confident75.1Confident227 Ų22768.5 Ų68.586%0.85735%0.346SS*.THydrogen-bonded Turntrans-85.8-1.5179.7-60.2-177.3-179.4177-0.4113.8N57 N105N57-R107 PolarHBondContact ND2-O 3.18Å; N105-R107 PolarHBondContact O-N 2.69Å; N105-R107 VanDerWaalsContact O-N 3.17Å; N105-R107 PolarHBondContact OD1-N 2.91Å
108S76.4Confident73.7Confident43 Ų4376.6 Ų76.630%0.30138%0.384SS..SBendtrans-117.9154.3-179.4-610000110.7N57 R71 N105 E106N57-S108 VanDerWaalsContact ND2-C 3.29Å; N57-S108 PolarHBondContact ND2-N 3.34Å; N57-S108 PolarHBondContact ND2-O 3.48Å; N57-S108 PolarHBondContact OD1-O 3.37Å; R71-S108 PolarHBondContact NH1-O 3.38Å; N105-S108 PolarHBondContact ND2-OG 3.05Å; N105-S108 PolarHBondContact O-N 3.06Å; E106-S108 VanDerWaalsContact C-N 3.32Å
109F76.9Confident72.7Confident79 Ų7984.5 Ų84.535%0.34642%0.418SS..  trans-59.4134167.3-63.3-75.5000109.3Y52 Y54 N57 Y111Y52-F109 WeakPolarHBondContact OH-CD1 3.17Å; Y54-F109 HydrophobicContact CD2-CD1 4.05Å; Y54-F109 HydrophobicContact CD2-CE1 4.41Å; Y54-F109 HydrophobicContact CE1-CE1 4.5Å; Y54-F109 AromaticContact CE2-CD1 3.73Å; Y54-F109 HydrophobicContact CE2-CD1 3.73Å; Y54-F109 HydrophobicContact CE2-CE1 4.3Å; Y54-F109 HydrophobicContact CE2-CG 4.25Å; Y54-F109 WeakPolarHBondContact O-CE1 3.48Å; N57-F109 HydrophobicContact CB-CD1 3.95Å; N57-F109 HydrophobicContact CB-CE1 3.47Å; N57-F109 VanDerWaalsContact CB-CE1 3.47Å; N57-F109 HydrophobicContact CB-CZ 3.93Å; F109-Y111 VanDerWaalsContact C-N 3.32Å; F109-Y111 PolarHBondContact O-N 3.47Å
110P75.6Confident71.7Confident0 Ų085.7 Ų85.70%043%0.426CS..SBendtrans-66.3-37.9-174.823.7-29.5000111.8Y52 R71 Y74 W75 F76Y52-P110 HydrophobicContact CE1-CG 4.47Å; Y52-P110 WeakPolarHBondContact OH-CD 3.44Å; R71-P110 HydrophobicContact CB-CB 4.33Å; R71-P110 HydrophobicContact CG-CB 4.36Å; Y74-P110 CarbonylContact C-O 3.57Å; Y74-P110 CarbonylContact O-C 3.59Å; Y74-P110 VanDerWaalsContact O-C 3.29Å; W75-P110 VanDerWaalsContact CA-O 3.28Å; W75-P110 WeakPolarHBondContact CA-O 3.46Å; F76-P110 PolarHBondContact N-O 2.87Å; F76-P110 VanDerWaalsContact N-O 3.15Å
111Y71.7Confident70.7Confident32 Ų3287.6 Ų87.613%0.12545%0.446CS..SBendtrans-123.8158.8173.661.5-86.1000110.3H48 Y52 Y54 Y74 F109 Q113H48-Y111 AromaticContact CD2-CE1 3.61Å; H48-Y111 AromaticContact NE2-CE1 3.4Å; H48-Y111 WeakPolarHBondContact NE2-CE1 3.33Å; H48-Y111 AromaticContact NE2-CZ 3.34Å; H48-Y111 VanDerWaalsContact NE2-CZ 3.34Å; H48-Y111 PolarHBondContact NE2-OH 3.3Å; Y52-Y111 HydrophobicContact CE1-CE1 4.41Å; Y54-Y111 HydrophobicContact CD2-CE2 4.45Å; Y54-Y111 WeakPolarHBondContact CD2-OH 3.42Å; Y54-Y111 HydrophobicContact CE2-CE2 4.14Å; Y74-Y111 HydrophobicContact CD1-CD1 4.19Å; Y74-Y111 HydrophobicContact CG-CD1 4.09Å; F109-Y111 VanDerWaalsContact C-N 3.32Å; F109-Y111 PolarHBondContact O-N 3.47Å; Y111-Q113 HydrophobicContact CD2-CG 4.01Å; Y111-Q113 HydrophobicContact CE2-CB 4.26Å; Y111-Q113 HydrophobicContact CE2-CG 3.64Å
112I60.7Low69.8Low75 Ų7589.1 Ų89.139%0.38546%0.455SS..  trans-102.7109.3179.8-49.6178000107.9F76 M114 V122F76-I112 HydrophobicContact CD1-CD1 4.34Å; F76-I112 HydrophobicContact CD1-CG1 4.31Å; F76-I112 HydrophobicContact CD2-CD1 4.29Å; F76-I112 HydrophobicContact CE1-CD1 4.43Å; F76-I112 HydrophobicContact CE2-CD1 4.36Å; F76-I112 HydrophobicContact CG-CD1 4.27Å; F76-I112 HydrophobicContact CG-CG1 4.43Å; F76-I112 HydrophobicContact CZ-CD1 4.44Å; I112-M114 HydrophobicContact CG2-CG 3.42Å; I112-M114 VanDerWaalsContact CG2-CG 3.42Å; I112-M114 HydrophobicContact CG2-SD 4.15Å; I112-V122 HydrophobicContact CD1-CB 4.01Å; I112-V122 HydrophobicContact CD1-CG1 3.65Å; I112-V122 HydrophobicContact CD1-CG2 4.23Å; I112-V122 HydrophobicContact CG2-CG1 4.44Å
113Q55.6Low69.3Low118 Ų11887.7 Ų87.755%0.55145%0.454SS*.  trans-92.8104.1162.3-92.8176.7-5.300107.8Y111Y111-Q113 HydrophobicContact CD2-CG 4.01Å; Y111-Q113 HydrophobicContact CE2-CB 4.26Å; Y111-Q113 HydrophobicContact CE2-CG 3.64Å
114M49.1Very low68.3Low104 Ų10486.8 Ų86.851%0.51245%0.447SS..  trans-104.496168.2-55.7-175.875.700108.6I112 G116 A117 A121 V122I112-M114 HydrophobicContact CG2-CG 3.42Å; I112-M114 VanDerWaalsContact CG2-CG 3.42Å; I112-M114 HydrophobicContact CG2-SD 4.15Å; M114-G116 PolarHBondContact O-N 2.93Å; M114-G116 VanDerWaalsContact O-N 3.16Å; M114-A117 HydrophobicContact CB-CB 3.22Å; M114-A117 HydrophobicContact CE-CB 3.72Å; M114-A117 HydrophobicContact CG-CB 3.96Å; M114-A117 PolarHBondContact O-N 3.41Å; M114-A117 HydrophobicContact SD-CB 3.57Å; M114-A117 VanDerWaalsContact SD-CB 3.57Å; M114-A121 HydrophobicContact SD-CB 4.08Å; M114-V122 HydrophobicContact SD-CG1 3.98Å
115Q48.7Very low67.5Low199 Ų19990.8 Ų90.893%0.9348%0.478SS*.THydrogen-bonded Turntrans-59.9121.3168.9-74-170.1000108.9A117Q115-A117 VanDerWaalsContact C-N 3.34Å; Q115-A117 PolarHBondContact O-N 3.17Å
116G52Low67Low85 Ų8591.4 Ų91.488%0.87649%0.485SS*.THydrogen-bonded Turntrans78.62.5179.500000116.3M114M114-G116 PolarHBondContact O-N 2.93Å; M114-G116 VanDerWaalsContact O-N 3.16Å
117A57.5Low66.6Low39 Ų3991.3 Ų91.332%0.32248%0.483SS..PPolyproline II helixtrans-71.5147.5170.500000111.5M114 Q115 K119 A121M114-A117 HydrophobicContact CB-CB 3.22Å; M114-A117 HydrophobicContact CE-CB 3.72Å; M114-A117 HydrophobicContact CG-CB 3.96Å; M114-A117 PolarHBondContact O-N 3.41Å; M114-A117 HydrophobicContact SD-CB 3.57Å; M114-A117 VanDerWaalsContact SD-CB 3.57Å; Q115-A117 VanDerWaalsContact C-N 3.34Å; Q115-A117 PolarHBondContact O-N 3.17Å; A117-K119 PolarHBondContact O-N 3.41Å; A117-A121 HydrophobicContact CB-CB 4.11Å
118E64.1Low66.7Low170 Ų17083.3 Ų83.379%0.79446%0.462SS*.PPolyproline II helixtrans-56.9138168-64.5-173.8163.600109.8C120 A121E118-C120 PolarHBondContact O-N 3.44Å; E118-A121 WeakPolarHBondContact O-CB 3.43Å; E118-A121 PolarHBondContact O-N 3Å; E118-A121 VanDerWaalsContact O-N 3.1Å
119K70Confident67.1Low166 Ų16682.2 Ų82.272%0.72246%0.455SS*.THydrogen-bonded Turntrans-49.2138.2168.6-62.7-178.8178.6-177.80107.5A117 A121A117-K119 PolarHBondContact O-N 3.41Å; K119-A121 PolarHBondContact O-N 3.36Å
120C73Confident67.3Low26 Ų2681.7 Ų81.718%0.17646%0.461CS..THydrogen-bonded Turntrans73.99-179-52.90000117.2E118 V122 C123 C130E118-C120 PolarHBondContact O-N 3.44Å; C120-V122 PolarHBondContact O-N 3Å; C120-C123 WeakPolarHBondContact CB-SG 3.26Å; C120-C123 PolarHBondContact O-N 2.85Å; C120-C123 VanDerWaalsContact O-N 3.09Å; C120-C123 PolarHBondContact O-SG 2.87Å; C120-C130 HydrophobicContact CB-CB 3.37Å; C120-C130 WeakPolarHBondContact CB-SG 3.47Å; C120-C130 WeakPolarHBondContact SG-CA 3.45Å; C120-C130 WeakPolarHBondContact SG-CB 3.07Å; C120-C130 CovalentContact SG-SG 2.03Å; C120-C130 PolarHBondContact SG-SG 2.99Å
121A70.1Confident67.6Low62 Ų6285 Ų8551%0.51248%0.481SS..THydrogen-bonded Turntrans-54-22.917700000114.6M114 A117 E118 K119M114-A121 HydrophobicContact SD-CB 4.08Å; A117-A121 HydrophobicContact CB-CB 4.11Å; E118-A121 WeakPolarHBondContact O-CB 3.43Å; E118-A121 PolarHBondContact O-N 3Å; E118-A121 VanDerWaalsContact O-N 3.1Å; K119-A121 PolarHBondContact O-N 3.36Å
122V70.1Confident67.9Low72 Ų7291.1 Ų91.144%0.43652%0.516SS..THydrogen-bonded Turntrans-113.423.2-176.5-63.50000113.3I112 M114 C120 R124I112-V122 HydrophobicContact CD1-CB 4.01Å; I112-V122 HydrophobicContact CD1-CG1 3.65Å; I112-V122 HydrophobicContact CD1-CG2 4.23Å; I112-V122 HydrophobicContact CG2-CG1 4.44Å; M114-V122 HydrophobicContact SD-CG1 3.98Å; C120-V122 PolarHBondContact O-N 3Å; V122-R124 PolarHBondContact O-N 2.8Å
123C71.9Confident68.3Low32 Ų3288.9 Ų88.922%0.21651%0.511CS..  trans-64.3134.7175.1-68.50000112.3C120 K127 C135C120-C123 WeakPolarHBondContact CB-SG 3.26Å; C120-C123 PolarHBondContact O-N 2.85Å; C120-C123 VanDerWaalsContact O-N 3.09Å; C120-C123 PolarHBondContact O-SG 2.87Å; C123-K127 WeakPolarHBondContact CB-O 3.47Å; C123-C135 WeakPolarHBondContact CA-SG 3.01Å; C123-C135 HydrophobicContact CB-CB 3.8Å; C123-C135 WeakPolarHBondContact CB-SG 3.41Å; C123-C135 WeakPolarHBondContact SG-CA 3.24Å; C123-C135 WeakPolarHBondContact SG-CB 3.21Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.7Å
124R67.8Low69.3Low93 Ų9389 Ų8935%0.35152%0.515SS..  trans-65.4152.6170.7-84.2-170.9168.9-164.61.2110.5E77 Y102 V122 T126 K127 S128E77-R124 IonicContact OE1-CZ 3.24Å; E77-R124 VanDerWaalsContact OE1-CZ 3.25Å; E77-R124 IonicContact OE1-NE 2.99Å; E77-R124 PolarHBondContact OE1-NE 2.77Å; E77-R124 IonicContact OE1-NH2 2.69Å; E77-R124 PolarHBondContact OE1-NH2 3.31Å; E77-R124 IonicContact OE2-CZ 3.66Å; E77-R124 IonicContact OE2-NH2 3.78Å; E77-R124 PolarHBondContact OE2-NH2 2.94Å; Y102-R124 PolarHBondContact OH-NH1 3.27Å; V122-R124 PolarHBondContact O-N 2.8Å; R124-T126 PolarHBondContact O-N 2.97Å; R124-T126 VanDerWaalsContact O-N 3.14Å; R124-K127 CarbonylContact O-C 3.08Å; R124-K127 WeakPolarHBondContact O-CA 3.36Å; R124-K127 PolarHBondContact O-N 3.48Å; R124-S128 PolarHBondContact O-N 2.76Å; R124-S128 VanDerWaalsContact O-N 3.16Å
125S68.1Low70.6Confident109 Ų10986.3 Ų86.376%0.76251%0.506SS*.G310 helixtrans-55.2-31.3174.354.90000113.6K127S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.96Å
126T69.2Low72.2Confident87 Ų8778.8 Ų78.853%0.53448%0.475SS..G310 helixtrans-75.8-13.2176.857.10000114.2R124R124-T126 PolarHBondContact O-N 2.97Å; R124-T126 VanDerWaalsContact O-N 3.14Å
127K73Confident73.5Confident99 Ų9979.7 Ų79.743%0.4346%0.455SS..G310 helixtrans-137.252.9176.8-69.8-173.2176.7-176.90109.4C123 R124 S125 A129 C135 C136 K137C123-K127 WeakPolarHBondContact CB-O 3.47Å; R124-K127 CarbonylContact O-C 3.08Å; R124-K127 WeakPolarHBondContact O-CA 3.36Å; R124-K127 PolarHBondContact O-N 3.48Å; S125-K127 VanDerWaalsContact C-N 3.28Å; S125-K127 PolarHBondContact O-N 2.96Å; K127-A129 VanDerWaalsContact C-N 3.29Å; K127-A129 PolarHBondContact O-N 3.47Å; K127-C135 HydrophobicContact CB-CB 4.15Å; K127-C136 CarbonylContact C-O 2.88Å; K127-C136 WeakPolarHBondContact CA-O 3.44Å; K127-K137 HydrophobicContact CG-CG 4.22Å
128S80.1Confident74.5Confident60 Ų6080.8 Ų80.842%0.4246%0.455SS..  trans-73.7-14.2-17164.40000114.7R124 C136 N138R124-S128 PolarHBondContact O-N 2.76Å; R124-S128 VanDerWaalsContact O-N 3.16Å; S128-C136 PolarHBondContact N-O 3.29Å; S128-N138 PolarHBondContact OG-ND2 2.99Å
129A83.3Confident74.6Confident19 Ų1978 Ų7816%0.15746%0.462CS..EExtended strand (participates in β ladder)trans-79.3135.418000000110.5K127 C135 C136K127-A129 VanDerWaalsContact C-N 3.29Å; K127-A129 PolarHBondContact O-N 3.47Å; A129-C135 CarbonylContact O-C 3.55Å; A129-C135 WeakPolarHBondContact O-CA 3.36Å; A129-C136 HydrophobicContact CB-CB 4.18Å; A129-C136 WeakPolarHBondContact CB-O 3.39Å; A129-C136 PolarHBondContact N-O 3.03Å; A129-C136 PolarHBondContact O-N 2.81Å
130C81.4Confident74Confident68 Ų6875.8 Ų75.846%0.45946%0.462SS..EExtended strand (participates in β ladder)trans-100105170.8-171.10000110.1C120 L134C120-C130 HydrophobicContact CB-CB 3.37Å; C120-C130 WeakPolarHBondContact CB-SG 3.47Å; C120-C130 WeakPolarHBondContact SG-CA 3.45Å; C120-C130 WeakPolarHBondContact SG-CB 3.07Å; C120-C130 CovalentContact SG-SG 2.03Å; C120-C130 PolarHBondContact SG-SG 2.99Å; C130-L134 WeakPolarHBondContact CA-O 3.24Å
131T82.1Confident72.7Confident70 Ų7078.4 Ų78.443%0.42947%0.474SS..EExtended strand (participates in β ladder)trans-113119.4177.4-54.70000109G133 L134T131-G133 PolarHBondContact O-N 3.35Å; T131-L134 PolarHBondContact N-O 3.42Å; T131-L134 WeakPolarHBondContact O-CB 3.49Å; T131-L134 PolarHBondContact O-N 3.16Å
132N77.5Confident71.3Confident160 Ų16081.3 Ų81.386%0.85649%0.491SS*.THydrogen-bonded Turntrans52.327-178.5-62.7-24.1000114.4
133G70.9Confident70.1Confident28 Ų2879.6 Ų79.629%0.28949%0.488SS..THydrogen-bonded Turntrans85.99.9-176.700000115.6T131T131-G133 PolarHBondContact O-N 3.35Å
134L75.6Confident68.3Low120 Ų12084 Ų8463%0.62851%0.514SS*.EExtended strand (participates in β ladder)trans-110.4143.9175.4-59.4175000111.2C130 T131 C136C130-L134 WeakPolarHBondContact CA-O 3.24Å; T131-L134 PolarHBondContact N-O 3.42Å; T131-L134 WeakPolarHBondContact O-CB 3.49Å; T131-L134 PolarHBondContact O-N 3.16Å; L134-C136 PolarHBondContact O-N 2.83Å
135C75.9Confident66.6Low48 Ų4885 Ų8532%0.32453%0.531SS..EExtended strand (participates in β ladder)trans-74.6116172-59.30000111C123 K127 A129C123-C135 WeakPolarHBondContact CA-SG 3.01Å; C123-C135 HydrophobicContact CB-CB 3.8Å; C123-C135 WeakPolarHBondContact CB-SG 3.41Å; C123-C135 WeakPolarHBondContact SG-CA 3.24Å; C123-C135 WeakPolarHBondContact SG-CB 3.21Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.7Å; K127-C135 HydrophobicContact CB-CB 4.15Å; A129-C135 CarbonylContact O-C 3.55Å; A129-C135 WeakPolarHBondContact O-CA 3.36Å
136C82.2Confident65Low41 Ų4185 Ų8528%0.27753%0.528SS..EExtended strand (participates in β ladder)trans-123.7155.8-175.3-660000111.2K127 S128 A129 L134K127-C136 CarbonylContact C-O 2.88Å; K127-C136 WeakPolarHBondContact CA-O 3.44Å; S128-C136 PolarHBondContact N-O 3.29Å; A129-C136 HydrophobicContact CB-CB 4.18Å; A129-C136 WeakPolarHBondContact CB-O 3.39Å; A129-C136 PolarHBondContact N-O 3.03Å; A129-C136 PolarHBondContact O-N 2.81Å; L134-C136 PolarHBondContact O-N 2.83Å
137K80.9Confident63Low104 Ų10486.5 Ų86.545%0.45254%0.537SS..  trans-64149.9165.3-66.9-174.4176.9-179.60109.2K127 D141K127-K137 HydrophobicContact CG-CG 4.22Å; K137-D141 HydrophobicContact CB-CB 4.49Å
138N77.8Confident61.2Low62 Ų6287 Ų8733%0.33255%0.55SS.*  trans-63.9139.5168.1-65.3-49.7000108.1S128 T140 D141S128-N138 PolarHBondContact OG-ND2 2.99Å; N138-T140 PolarHBondContact O-N 2.98Å; N138-D141 WeakPolarHBondContact O-CB 3.43Å; N138-D141 PolarHBondContact O-N 2.87Å
139A66.1Low58.7Low113 Ų11386.1 Ų86.193%0.93455%0.551SS**THydrogen-bonded Turntrans-58.2-18.3179.800000113.2
140T56.7Low56.4Low118 Ų11891.5 Ų91.572%0.72458%0.584SS**THydrogen-bonded Turntrans-79.6-16.2175400000114.3N138 S142N138-T140 PolarHBondContact O-N 2.98Å; T140-S142 VanDerWaalsContact C-N 3.31Å; T140-S142 PolarHBondContact O-N 3.28Å
141D47Very low54.1Low82 Ų8294.4 Ų94.444%0.43960%0.6SS.*  trans-74.690.2174.7-68.3-34.8000108.7K137 N138 G143K137-D141 HydrophobicContact CB-CB 4.49Å; N138-D141 WeakPolarHBondContact O-CB 3.43Å; N138-D141 PolarHBondContact O-N 2.87Å; D141-G143 PolarHBondContact O-N 3.12Å
142S40.6Very low52Low122 Ų12296.4 Ų96.485%0.85362%0.617SS**  trans-67.941169-57.40000111.3T140 T144T140-S142 VanDerWaalsContact C-N 3.31Å; T140-S142 PolarHBondContact O-N 3.28Å; S142-T144 PolarHBondContact O-N 3.01Å
143G43.9Very low50.4Low37 Ų3791.5 Ų91.538%0.38160%0.604SS.*  trans-80.7100163.400000105.7D141 T145D141-G143 PolarHBondContact O-N 3.12Å; G143-T145 PolarHBondContact O-N 2.7Å; G143-T145 VanDerWaalsContact O-N 3.08Å
144T34Very low49.5Very low123 Ų12397 Ų9776%0.75563%0.627SS**  trans-7.2106.9166.8430000109.8S142 P146S142-T144 PolarHBondContact O-N 3.01Å; T144-P146 WeakPolarHBondContact O-CD 3.47Å
145T33.2Very low49Very low116 Ų11695 Ų9571%0.71262%0.622SS**  trans-37.3121.8152.9-28.40000103.9G143 T147G143-T145 PolarHBondContact O-N 2.7Å; G143-T145 VanDerWaalsContact O-N 3.08Å; T145-T147 PolarHBondContact O-N 3.11Å
146P33.9Very low49.1Very low108 Ų10893.6 Ų93.670%0.70162%0.616SS**  trans-53.3105.8156.6-9.222.6000101.2T144 P148T144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-P148 VanDerWaalsContact C-N 3.34Å; P146-P148 VanDerWaalsContact O-CD 3.31Å; P146-P148 WeakPolarHBondContact O-CD 3.4Å
147T27.9Very low49.5Very low118 Ų11894.6 Ų94.672%0.72462%0.623SS**  trans-41.7117.4157.9-49.90000101.3T145 G149T145-T147 PolarHBondContact O-N 3.11Å; T147-G149 PolarHBondContact O-N 3.24Å
148P34.9Very low50.1Low110 Ų11092.7 Ų92.771%0.71462%0.621SS**  trans-51.3109.2172.1-12.421.4000101.9P146P146-P148 VanDerWaalsContact C-N 3.34Å; P146-P148 VanDerWaalsContact O-CD 3.31Å; P146-P148 WeakPolarHBondContact O-CD 3.4Å
149G26.8Very low50.9Low42 Ų4290 Ų9043%0.43361%0.606SS.*  trans-50.7140.1162.600000102.8T147 T151T147-G149 PolarHBondContact O-N 3.24Å; G149-T151 PolarHBondContact O-N 2.78Å; G149-T151 PolarHBondContact O-OG1 3.1Å
150P34.3Very low52.3Low131 Ų13187 Ų8785%0.85159%0.587SS**  trans-67.469.4166.830.5-31.6000106.3S152P150-S152 PolarHBondContact O-N 3.2Å
151T34.8Very low54.2Low129 Ų12983.6 Ų83.679%0.79156%0.564SS**  trans-69.988.7148.136.40000103.3G149 G153G149-T151 PolarHBondContact O-N 2.78Å; G149-T151 PolarHBondContact O-OG1 3.1Å; T151-G153 PolarHBondContact O-N 2.78Å
152S36.7Very low56.6Low113 Ų11381.4 Ų81.479%0.7955%0.552SS**  trans-52.352.2161.458.90000111.8P150 D154P150-S152 PolarHBondContact O-N 3.2Å; S152-D154 VanDerWaalsContact C-N 3.29Å
153G43.9Very low59.3Low57 Ų5776.3 Ų76.359%0.58852%0.516SS*.  trans-95.768.2160.300000106.4T151 C155T151-G153 PolarHBondContact O-N 2.78Å; G153-C155 PolarHBondContact O-N 3Å; G153-C155 VanDerWaalsContact O-N 3.09Å
154D52.3Low61.8Low143 Ų14378 Ų7877%0.76551%0.514SS*.  trans-51.7122.5157.7-74.4-24.3000104.8S152 G156S152-D154 VanDerWaalsContact C-N 3.29Å; D154-G156 PolarHBondContact O-N 2.7Å
155C65.5Low64.8Low78 Ų7872.1 Ų72.153%0.52748%0.478SS..  trans-66.429.5176.4-680000112G153 V260 C261G153-C155 PolarHBondContact O-N 3Å; G153-C155 VanDerWaalsContact O-N 3.09Å; C155-V260 HydrophobicContact CB-CG1 4.45Å; C155-C261 PolarHBondContact O-SG 2.84Å
156G78.4Confident67.8Low19 Ų1967.4 Ų67.420%0.19645%0.447CS..  trans93.2169-16000000112.8D154 R210D154-G156 PolarHBondContact O-N 2.7Å; G156-R210 CarbonylContact C-O 3.55Å; G156-R210 WeakPolarHBondContact CA-O 3.09Å
157S89Confident70.7Confident61 Ų6162.7 Ų62.743%0.42742%0.415SS..  trans-113.2163.3167.253.40000109.3R210S157-R210 PolarHBondContact N-O 2.86Å; S157-R210 CarbonylContact O-C 3.41Å; S157-R210 WeakPolarHBondContact OG-CB 3.42Å
158T93.8Very high73.8Confident65 Ų6557 Ų5740%0.39938%0.381SS..  trans-49.8125.1178.9-53.40000110.9L162 C261 W307T158-L162 HydrophobicContact CG2-CD1 3.77Å; T158-C261 VanDerWaalsContact CA-O 3.24Å; T158-C261 WeakPolarHBondContact CA-O 3.22Å; T158-C261 PolarHBondContact N-O 2.77Å; T158-C261 PolarHBondContact OG1-O 2.84Å; T158-W307 HydrophobicContact CG2-CG 4.4Å
159P95.6Very high76.5Confident4 Ų453.7 Ų53.73%0.02635%0.354CS..  trans-54.7147.9171.5-20.830.2000110.3N161 L162 A204 D208 C211 L214 W307P159-N161 WeakPolarHBondContact CB-OD1 3.26Å; P159-L162 HydrophobicContact CB-CD2 4.03Å; P159-L162 HydrophobicContact CB-CG 4.43Å; P159-L162 HydrophobicContact CG-CD2 4.22Å; P159-L162 WeakPolarHBondContact O-CG 3.43Å; P159-A204 HydrophobicContact CB-CB 4.04Å; P159-A204 HydrophobicContact CG-CB 4.21Å; P159-D208 WeakPolarHBondContact CA-OD2 3.2Å; P159-D208 HydrophobicContact CB-CB 3.96Å; P159-C211 HydrophobicContact CG-CB 3.74Å; P159-L214 HydrophobicContact CG-CD1 4.18Å; P159-L214 HydrophobicContact CG-CD2 4.13Å; P159-W307 HydrophobicContact CG-CH2 3.73Å; P159-W307 HydrophobicContact CG-CZ2 3.58Å; P159-W307 HydrophobicContact CG-CZ3 4.42Å
160G95.1Very high79.4Confident51 Ų5153.8 Ų53.853%0.52634%0.342SS..SBendtrans-103.21.417800000113.4D208 R210G160-D208 PolarHBondContact N-OD2 3.2Å; G160-R210 VanDerWaalsContact CA-NH1 3.32Å
161N96.7Very high81.6Confident46 Ų4649.3 Ų49.325%0.24632%0.319CS..SBendtrans-102.234.5174.166.5-20.1000111.6P159 A204 K205 G206 D208P159-N161 WeakPolarHBondContact CB-OD1 3.26Å; N161-A204 WeakPolarHBondContact OD1-CB 3.5Å; N161-K205 PolarHBondContact O-N 2.93Å; N161-G206 PolarHBondContact ND2-N 2.96Å; N161-G206 PolarHBondContact ND2-O 3.48Å; N161-D208 PolarHBondContact OD1-OD2 3.39Å
162L97.6Very high83.8Confident36 Ų3646.3 Ų46.319%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-68.3143.9179.2-65.9-179.2000111.9T158 P159 R202 V203 A204 W307T158-L162 HydrophobicContact CG2-CD1 3.77Å; P159-L162 HydrophobicContact CB-CD2 4.03Å; P159-L162 HydrophobicContact CB-CG 4.43Å; P159-L162 HydrophobicContact CG-CD2 4.22Å; P159-L162 WeakPolarHBondContact O-CG 3.43Å; L162-R202 HydrophobicContact CB-CB 4.17Å; L162-R202 HydrophobicContact CD1-CB 4.42Å; L162-V203 CarbonylContact C-O 3.29Å; L162-V203 WeakPolarHBondContact CA-O 3.39Å; L162-A204 HydrophobicContact CD2-CB 4.23Å; L162-W307 HydrophobicContact CD1-CB 3.95Å; L162-W307 HydrophobicContact CD1-CD2 4.18Å; L162-W307 HydrophobicContact CD1-CG 3.89Å; L162-W307 HydrophobicContact CD2-CD2 3.71Å; L162-W307 HydrophobicContact CD2-CE3 3.35Å; L162-W307 HydrophobicContact CD2-CG 4.28Å; L162-W307 HydrophobicContact CD2-CZ3 3.81Å
163T96.9Very high86Confident15 Ų1544.2 Ų44.29%0.09228%0.283CS..EExtended strand (participates in β ladder)trans-130.5157.4173.5-162.10000109.9R202 V203 K205T163-R202 CarbonylContact O-C 3.44Å; T163-R202 WeakPolarHBondContact O-CA 3.34Å; T163-R202 VanDerWaalsContact O-CB 3.26Å; T163-R202 WeakPolarHBondContact O-CB 3.19Å; T163-V203 HydrophobicContact CG2-CG2 3.96Å; T163-V203 PolarHBondContact N-O 3.43Å; T163-V203 PolarHBondContact O-N 3.22Å; T163-K205 HydrophobicContact CG2-CG 3.79Å; T163-K205 VanDerWaalsContact OG1-CE 3.3Å; T163-K205 WeakPolarHBondContact OG1-CE 3.5Å
164Q96.9Very high88Confident73 Ų7343.7 Ų43.734%0.34127%0.27SS..EExtended strand (participates in β ladder)trans-66.2139.3175.6-67.6-171-8.200110.4Y166 S180Q164-Y166 HydrophobicContact CB-CD2 4.46Å; Q164-Y166 HydrophobicContact CB-CE1 4.31Å; Q164-Y166 HydrophobicContact CB-CE2 3.76Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å; Q164-S180 WeakPolarHBondContact O-CA 3.45Å
165L97.4Very high89.8Confident0 Ų037.1 Ų37.10%024%0.236CC..EExtended strand (participates in β ladder)trans-105.6122.5164.9-174.969.4000107.4L178 P199 I200 G201 V203 I251 F304 M306L165-L178 HydrophobicContact CD1-CB 4.31Å; L165-P199 CarbonylContact O-C 3.59Å; L165-P199 WeakPolarHBondContact O-CA 3.21Å; L165-I200 HydrophobicContact CB-CG1 4.27Å; L165-I200 HydrophobicContact CD2-CD1 3.83Å; L165-I200 HydrophobicContact CD2-CG1 4.07Å; L165-I200 HydrophobicContact CG-CD1 4.19Å; L165-I200 HydrophobicContact CG-CG1 4.04Å; L165-I200 VanDerWaalsContact O-CG1 3.32Å; L165-I200 WeakPolarHBondContact O-CG1 3.48Å; L165-I200 PolarHBondContact O-N 3.35Å; L165-G201 PolarHBondContact N-O 2.62Å; L165-V203 HydrophobicContact CB-CG1 4.22Å; L165-V203 HydrophobicContact CB-CG2 4.34Å; L165-V203 HydrophobicContact CD1-CG2 4.42Å; L165-V203 HydrophobicContact CD2-CG1 3.99Å; L165-I251 HydrophobicContact CD1-CD1 3.91Å; L165-F304 HydrophobicContact CD2-CE2 4.27Å; L165-F304 HydrophobicContact CD2-CZ 4.22Å; L165-M306 HydrophobicContact CD2-SD 3.76Å
166Y95.7Very high91Very high16 Ų1633.8 Ų33.86%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-101.2150.4176.7-54.9-88.6000110Q164 L178 I179 E182 F185 R198 P199Q164-Y166 HydrophobicContact CB-CD2 4.46Å; Q164-Y166 HydrophobicContact CB-CE1 4.31Å; Q164-Y166 HydrophobicContact CB-CE2 3.76Å; Q164-Y166 PolarHBondContact OE1-OH 3.41Å; Y166-L178 WeakPolarHBondContact O-CA 3.39Å; Y166-I179 WeakPolarHBondContact CD2-O 3.28Å; Y166-I179 PolarHBondContact N-O 3.07Å; Y166-I179 PolarHBondContact O-N 2.97Å; Y166-E182 HydrophobicContact CE2-CG 4.49Å; Y166-F185 AromaticContact CD1-CD1 3.98Å; Y166-F185 HydrophobicContact CD1-CD1 3.98Å; Y166-F185 AromaticContact CD1-CD2 3.98Å; Y166-F185 HydrophobicContact CD1-CD2 3.98Å; Y166-F185 AromaticContact CD1-CE1 3.76Å; Y166-F185 HydrophobicContact CD1-CE1 3.76Å; Y166-F185 AromaticContact CD1-CE2 3.75Å; Y166-F185 HydrophobicContact CD1-CE2 3.75Å; Y166-F185 HydrophobicContact CD1-CG 4.08Å; Y166-F185 AromaticContact CD1-CZ 3.62Å; Y166-F185 HydrophobicContact CD1-CZ 3.62Å; Y166-F185 HydrophobicContact CD2-CB 4.01Å; Y166-F185 HydrophobicContact CD2-CD1 4.18Å; Y166-F185 HydrophobicContact CD2-CD2 4.1Å; Y166-F185 AromaticContact CD2-CG 3.81Å; Y166-F185 HydrophobicContact CD2-CG 3.81Å; Y166-F185 HydrophobicContact CE1-CD1 4.05Å; Y166-F185 AromaticContact CE1-CE1 3.85Å; Y166-F185 HydrophobicContact CE1-CE1 3.85Å; Y166-F185 HydrophobicContact CE1-CZ 4.15Å; Y166-F185 HydrophobicContact CE2-CB 4.45Å; Y166-F185 HydrophobicContact CE2-CD1 4.25Å; Y166-F185 HydrophobicContact CE2-CG 4.28Å; Y166-F185 HydrophobicContact CG-CB 4.36Å; Y166-F185 HydrophobicContact CG-CD1 4.05Å; Y166-F185 AromaticContact CG-CD2 3.57Å; Y166-F185 HydrophobicContact CG-CD2 3.57Å; Y166-F185 HydrophobicContact CG-CE1 4.24Å; Y166-F185 AromaticContact CG-CE2 3.78Å; Y166-F185 HydrophobicContact CG-CE2 3.78Å; Y166-F185 AromaticContact CG-CG 3.7Å; Y166-F185 HydrophobicContact CG-CG 3.7Å; Y166-F185 HydrophobicContact CG-CZ 4.11Å; Y166-R198 WeakPolarHBondContact CA-O 3.4Å; Y166-P199 HydrophobicContact CD1-CB 4.39Å; Y166-P199 HydrophobicContact CD1-CG 3.96Å; Y166-P199 HydrophobicContact CE1-CB 4.4Å; Y166-P199 HydrophobicContact CE1-CG 3.68Å
167R94.3Very high91.8Very high9 Ų935.1 Ų35.13%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-111.8143.3164.8-178.6177.6173.4-97-9.2108.9N176 Y177 L178 H196 N197 R198 I200 D285R167-N176 VanDerWaalsContact CZ-OD1 3.27Å; R167-N176 PolarHBondContact NE-OD1 2.01Å; R167-N176 PolarHBondContact NH2-OD1 3.31Å; R167-Y177 CarbonylContact C-O 3.5Å; R167-Y177 VanDerWaalsContact CA-O 3.28Å; R167-Y177 WeakPolarHBondContact CA-O 3.24Å; R167-L178 HydrophobicContact CB-CD2 4.04Å; R167-L178 HydrophobicContact CG-CD2 4.05Å; R167-H196 CarbonylContact O-C 3.54Å; R167-N197 WeakPolarHBondContact O-CA 3.33Å; R167-R198 PolarHBondContact N-O 3.27Å; R167-R198 VanDerWaalsContact N-O 3.14Å; R167-R198 PolarHBondContact O-N 3.04Å; R167-I200 HydrophobicContact CB-CD1 4.28Å; R167-I200 HydrophobicContact CB-CG2 3.49Å; R167-I200 VanDerWaalsContact CB-CG2 3.49Å; R167-D285 IonicContact NH1-OD2 2.67Å; R167-D285 PolarHBondContact NH1-OD2 2.64Å
168T93.4Very high92.2Very high0 Ų032.2 Ų32.20%019%0.192CC..EExtended strand (participates in β ladder)trans-137.5131.6168-68.90000109.3Y177 I188 A194 N197T168-Y177 PolarHBondContact N-O 2.91Å; T168-Y177 PolarHBondContact O-N 3.1Å; T168-I188 HydrophobicContact CG2-CG2 3.75Å; T168-A194 HydrophobicContact CG2-CB 3.91Å; T168-N197 WeakPolarHBondContact CB-OD1 3.41Å; T168-N197 WeakPolarHBondContact CG2-OD1 3.38Å; T168-N197 PolarHBondContact OG1-OD1 2.88Å
169W90.9Very high92.3Very high39 Ų3929.6 Ų29.615%0.14818%0.175CC..EExtended strand (participates in β ladder)trans-99.3127.6170.2178.8-102000109.5S174 T175 N176 E195 H196 I275W169-S174 WeakPolarHBondContact CH2-O 2.93Å; W169-S174 WeakPolarHBondContact CZ3-O 3.32Å; W169-T175 WeakPolarHBondContact CA-O 3.48Å; W169-N176 HydrophobicContact CE3-CB 3.91Å; W169-N176 HydrophobicContact CZ3-CB 3.9Å; W169-E195 PolarHBondContact N-O 3.35Å; W169-E195 PolarHBondContact O-N 3.31Å; W169-H196 HydrophobicContact CB-CB 4.48Å; W169-I275 HydrophobicContact CH2-CD1 4.29Å; W169-I275 HydrophobicContact CH2-CG2 4.07Å
170Y88.3Confident92.3Very high45 Ų4530.3 Ų30.318%0.17618%0.18CC..EExtended strand (participates in β ladder)trans-110.3100.1176.5-166.5-133.2000110.4T172 T173 S174 T175 Q191 P192 A194Y170-T172 VanDerWaalsContact C-N 3.27Å; Y170-T172 VanDerWaalsContact CD1-OG1 3.24Å; Y170-T172 WeakPolarHBondContact CD1-OG1 3.44Å; Y170-T172 WeakPolarHBondContact CE1-OG1 3.49Å; Y170-T172 PolarHBondContact O-N 2.91Å; Y170-T172 PolarHBondContact OH-OG1 2.76Å; Y170-T173 HydrophobicContact CD1-CG2 4.39Å; Y170-T173 VanDerWaalsContact CD1-OG1 3.31Å; Y170-T173 WeakPolarHBondContact CD1-OG1 2.99Å; Y170-T173 HydrophobicContact CE1-CG2 4.42Å; Y170-T173 PolarHBondContact O-N 2.73Å; Y170-S174 WeakPolarHBondContact O-CA 3.42Å; Y170-S174 PolarHBondContact O-N 2.95Å; Y170-T175 PolarHBondContact N-O 2.8Å; Y170-T175 PolarHBondContact O-N 3.47Å; Y170-T175 VanDerWaalsContact O-N 3.08Å; Y170-Q191 HydrophobicContact CE2-CB 3.92Å; Y170-P192 WeakPolarHBondContact CE2-O 3.43Å; Y170-A194 HydrophobicContact CD2-CB 4.46Å
171G80.5Confident92.3Very high37 Ų3732 Ų3238%0.38118%0.178SC..THydrogen-bonded Turntrans-68-18.9-168.500000115.6
172T80.3Confident92.1Very high66 Ų6634.4 Ų34.441%0.40519%0.187SC..THydrogen-bonded Turntrans-71.6-3617948.60000112.6Y170Y170-T172 VanDerWaalsContact C-N 3.27Å; Y170-T172 VanDerWaalsContact CD1-OG1 3.24Å; Y170-T172 WeakPolarHBondContact CD1-OG1 3.44Å; Y170-T172 WeakPolarHBondContact CE1-OG1 3.49Å; Y170-T172 PolarHBondContact O-N 2.91Å; Y170-T172 PolarHBondContact OH-OG1 2.76Å
173T84.1Confident92Very high69 Ų6937.9 Ų37.942%0.42321%0.21SC..THydrogen-bonded Turntrans-108.80.917854.20000112.4Y170 T175Y170-T173 HydrophobicContact CD1-CG2 4.39Å; Y170-T173 VanDerWaalsContact CD1-OG1 3.31Å; Y170-T173 WeakPolarHBondContact CD1-OG1 2.99Å; Y170-T173 HydrophobicContact CE1-CG2 4.42Å; Y170-T173 PolarHBondContact O-N 2.73Å; T173-T175 VanDerWaalsContact CB-OG1 3.3Å; T173-T175 WeakPolarHBondContact CB-OG1 3.39Å; T173-T175 PolarHBondContact O-N 3.4Å; T173-T175 WeakPolarHBondContact OG1-CB 3.08Å; T173-T175 PolarHBondContact OG1-OG1 3.49Å
174S85.7Confident91.8Very high45 Ų4541 Ų4132%0.31522%0.223SC..THydrogen-bonded Turntrans55.335.6-172-58.60000113W169 Y170 I275W169-S174 WeakPolarHBondContact CH2-O 2.93Å; W169-S174 WeakPolarHBondContact CZ3-O 3.32Å; Y170-S174 WeakPolarHBondContact O-CA 3.42Å; Y170-S174 PolarHBondContact O-N 2.95Å; S174-I275 WeakPolarHBondContact O-CG2 3.37Å
175T88.8Confident91.7Very high6 Ų638.4 Ų38.44%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-93.1133.5-173.6-55.90000111.7W169 Y170 T173 Y177 D228W169-T175 WeakPolarHBondContact CA-O 3.48Å; Y170-T175 PolarHBondContact N-O 2.8Å; Y170-T175 PolarHBondContact O-N 3.47Å; Y170-T175 VanDerWaalsContact O-N 3.08Å; T173-T175 VanDerWaalsContact CB-OG1 3.3Å; T173-T175 WeakPolarHBondContact CB-OG1 3.39Å; T173-T175 PolarHBondContact O-N 3.4Å; T173-T175 WeakPolarHBondContact OG1-CB 3.08Å; T173-T175 PolarHBondContact OG1-OG1 3.49Å; T175-Y177 HydrophobicContact CG2-CD1 4.01Å; T175-Y177 HydrophobicContact CG2-CD2 4.02Å; T175-Y177 HydrophobicContact CG2-CE1 3.52Å; T175-Y177 HydrophobicContact CG2-CE2 3.55Å; T175-Y177 HydrophobicContact CG2-CG 4.23Å; T175-D228 HydrophobicContact CG2-CB 4.43Å; T175-D228 WeakPolarHBondContact CG2-OD2 3.41Å
176N92.1Very high91.5Very high7 Ų744.5 Ų44.54%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-105102.4175.9-177.583.9000110.3R167 W169 Y230 Q279R167-N176 VanDerWaalsContact CZ-OD1 3.27Å; R167-N176 PolarHBondContact NE-OD1 2.01Å; R167-N176 PolarHBondContact NH2-OD1 3.31Å; W169-N176 HydrophobicContact CE3-CB 3.91Å; W169-N176 HydrophobicContact CZ3-CB 3.9Å; N176-Y230 WeakPolarHBondContact O-CE2 3.33Å; N176-Q279 PolarHBondContact ND2-N 3.43Å; N176-Q279 VanDerWaalsContact ND2-N 3.17Å; N176-Q279 PolarHBondContact ND2-O 3.42Å; N176-Q279 PolarHBondContact OD1-O 3.24Å
177Y94.6Very high91.3Very high47 Ų4749.6 Ų49.618%0.18425%0.254CS..EExtended strand (participates in β ladder)trans-91135.2177.7-63.7-69.6000112R167 T168 T175 I188 Y230R167-Y177 CarbonylContact C-O 3.5Å; R167-Y177 VanDerWaalsContact CA-O 3.28Å; R167-Y177 WeakPolarHBondContact CA-O 3.24Å; T168-Y177 PolarHBondContact N-O 2.91Å; T168-Y177 PolarHBondContact O-N 3.1Å; T175-Y177 HydrophobicContact CG2-CD1 4.01Å; T175-Y177 HydrophobicContact CG2-CD2 4.02Å; T175-Y177 HydrophobicContact CG2-CE1 3.52Å; T175-Y177 HydrophobicContact CG2-CE2 3.55Å; T175-Y177 HydrophobicContact CG2-CG 4.23Å; Y177-I188 HydrophobicContact CD1-CD1 4.35Å; Y177-I188 HydrophobicContact CD2-CD1 4.47Å; Y177-I188 HydrophobicContact CD2-CG2 3.81Å; Y177-I188 HydrophobicContact CE2-CG2 4.12Å; Y177-I188 HydrophobicContact CG-CD1 4.31Å; Y177-I188 HydrophobicContact CG-CG2 4.48Å; Y177-Y230 WeakPolarHBondContact CA-OH 3.32Å
178L96.9Very high91.2Very high1 Ų149.4 Ų49.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-111.6123.1161.4-59.4-172.6000108.2L165 Y166 R167 I200 Y230 I251 Q279 F304L165-L178 HydrophobicContact CD1-CB 4.31Å; Y166-L178 WeakPolarHBondContact O-CA 3.39Å; R167-L178 HydrophobicContact CB-CD2 4.04Å; R167-L178 HydrophobicContact CG-CD2 4.05Å; L178-I200 HydrophobicContact CD2-CD1 3.79Å; L178-Y230 HydrophobicContact CB-CD1 4.12Å; L178-Y230 HydrophobicContact CB-CD2 3.8Å; L178-Y230 HydrophobicContact CB-CE1 4.03Å; L178-Y230 HydrophobicContact CB-CE2 3.73Å; L178-Y230 HydrophobicContact CB-CG 3.99Å; L178-Y230 HydrophobicContact CD1-CD2 3.81Å; L178-Y230 HydrophobicContact CD1-CE2 4.48Å; L178-Y230 HydrophobicContact CD1-CG 3.99Å; L178-Y230 HydrophobicContact CG-CD2 3.67Å; L178-Y230 HydrophobicContact CG-CE2 3.84Å; L178-Y230 HydrophobicContact CG-CG 4.17Å; L178-Y230 VanDerWaalsContact N-CE2 3.29Å; L178-Y230 PolarHBondContact N-OH 3.27Å; L178-Y230 VanDerWaalsContact O-CE1 3.25Å; L178-Y230 WeakPolarHBondContact O-CE1 3.39Å; L178-Y230 PolarHBondContact O-OH 3.24Å; L178-I251 HydrophobicContact CB-CD1 3.89Å; L178-Q279 HydrophobicContact CD1-CB 4.12Å; L178-F304 HydrophobicContact CD1-CE1 4.46Å; L178-F304 HydrophobicContact CD1-CZ 4.16Å
179I96.1Very high91.1Very high9 Ų950.5 Ų50.55%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-135.9130.3-167.1-49.7162.5000109Y166 D181 E184 F185 I188Y166-I179 WeakPolarHBondContact CD2-O 3.28Å; Y166-I179 PolarHBondContact N-O 3.07Å; Y166-I179 PolarHBondContact O-N 2.97Å; I179-D181 WeakPolarHBondContact CG2-O 3.47Å; I179-E184 HydrophobicContact CG2-CB 3.94Å; I179-E184 HydrophobicContact CG2-CG 3.99Å; I179-F185 HydrophobicContact CB-CB 4.41Å; I179-F185 HydrophobicContact CD1-CD2 4.4Å; I179-F185 HydrophobicContact CG2-CB 3.92Å; I179-I188 HydrophobicContact CD1-CB 4.09Å; I179-I188 HydrophobicContact CD1-CD1 3.64Å; I179-I188 HydrophobicContact CD1-CG1 4.4Å; I179-I188 HydrophobicContact CD1-CG2 4.24Å; I179-I188 HydrophobicContact CG1-CD1 4.39Å
180S96.6Very high91.1Very high20 Ų2055.5 Ų55.514%0.1429%0.288CS..  trans-115.1-16.3175.265.90000113.7Q164 I251Q164-S180 WeakPolarHBondContact O-CA 3.45Å; S180-I251 WeakPolarHBondContact CB-O 3.39Å; S180-I251 PolarHBondContact OG-O 3.41Å
181D95.3Very high91.1Very high87 Ų8756 Ų5647%0.46529%0.292SS..  trans-79.8121.3172.5-177.2-91.5000109.4I179 T183 E184 F185I179-D181 WeakPolarHBondContact CG2-O 3.47Å; D181-T183 VanDerWaalsContact C-N 3.3Å; D181-T183 PolarHBondContact O-N 2.97Å; D181-T183 WeakPolarHBondContact OD1-CA 3.31Å; D181-T183 VanDerWaalsContact OD1-CB 3.23Å; D181-T183 WeakPolarHBondContact OD1-CB 3.18Å; D181-T183 PolarHBondContact OD1-N 2.82Å; D181-E184 HydrophobicContact CB-CB 4.03Å; D181-E184 PolarHBondContact O-N 3.43Å; D181-E184 PolarHBondContact OD1-N 3.34Å; D181-F185 WeakPolarHBondContact O-CB 3.18Å; D181-F185 PolarHBondContact O-N 3.02Å
182E92.3Very high91.5Very high96 Ų9659.3 Ų59.345%0.44931%0.307SS..Hα-helixtrans-63.7-37.4-176.8-68.8-178.5-171.600111.7Y166 F185 Y186Y166-E182 HydrophobicContact CE2-CG 4.49Å; E182-F185 PolarHBondContact O-N 3.32Å; E182-Y186 HydrophobicContact CB-CD2 4.43Å; E182-Y186 HydrophobicContact CB-CE2 4.18Å; E182-Y186 WeakPolarHBondContact O-CD2 3.27Å; E182-Y186 PolarHBondContact O-N 2.93Å
183T93.9Very high91.8Very high109 Ų10964.7 Ų64.767%0.66932%0.32SS*.Hα-helixtrans-65.7-45.7-178.7-500000110.7D181 Y186 R187D181-T183 VanDerWaalsContact C-N 3.3Å; D181-T183 PolarHBondContact O-N 2.97Å; D181-T183 WeakPolarHBondContact OD1-CA 3.31Å; D181-T183 VanDerWaalsContact OD1-CB 3.23Å; D181-T183 WeakPolarHBondContact OD1-CB 3.18Å; D181-T183 PolarHBondContact OD1-N 2.82Å; T183-Y186 PolarHBondContact O-N 2.88Å; T183-R187 WeakPolarHBondContact O-CB 3.45Å; T183-R187 PolarHBondContact O-N 3.39Å
184E93.2Very high92.1Very high79 Ų7962.1 Ų62.137%0.36931%0.306SS..Hα-helixtrans-63.7-41.7175.6-172.270.2177.700111.2I179 D181 Y186 R187 I188I179-E184 HydrophobicContact CG2-CB 3.94Å; I179-E184 HydrophobicContact CG2-CG 3.99Å; D181-E184 HydrophobicContact CB-CB 4.03Å; D181-E184 PolarHBondContact O-N 3.43Å; D181-E184 PolarHBondContact OD1-N 3.34Å; E184-Y186 PolarHBondContact O-N 3Å; E184-R187 VanDerWaalsContact CD-NH2 3.31Å; E184-R187 WeakPolarHBondContact O-CB 3.36Å; E184-R187 PolarHBondContact O-N 3.22Å; E184-R187 IonicContact OE1-CZ 2.76Å; E184-R187 IonicContact OE1-NE 3.98Å; E184-R187 IonicContact OE1-NH2 3.57Å; E184-R187 PolarHBondContact OE1-NH2 2.67Å; E184-R187 IonicContact OE2-CZ 2.73Å; E184-R187 IonicContact OE2-NE 3.09Å; E184-R187 PolarHBondContact OE2-NE 2.83Å; E184-R187 IonicContact OE2-NH2 2.83Å; E184-R187 PolarHBondContact OE2-NH2 3.49Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 2.82Å
185F94.6Very high92.2Very high19 Ų1964.9 Ų64.98%0.08331%0.313CS..Hα-helixtrans-60.4-46.5175.1171.2-108.1000111.5Y166 I179 D181 E182 R187 I188 S189 N197Y166-F185 AromaticContact CD1-CD1 3.98Å; Y166-F185 HydrophobicContact CD1-CD1 3.98Å; Y166-F185 AromaticContact CD1-CD2 3.98Å; Y166-F185 HydrophobicContact CD1-CD2 3.98Å; Y166-F185 AromaticContact CD1-CE1 3.76Å; Y166-F185 HydrophobicContact CD1-CE1 3.76Å; Y166-F185 AromaticContact CD1-CE2 3.75Å; Y166-F185 HydrophobicContact CD1-CE2 3.75Å; Y166-F185 HydrophobicContact CD1-CG 4.08Å; Y166-F185 AromaticContact CD1-CZ 3.62Å; Y166-F185 HydrophobicContact CD1-CZ 3.62Å; Y166-F185 HydrophobicContact CD2-CB 4.01Å; Y166-F185 HydrophobicContact CD2-CD1 4.18Å; Y166-F185 HydrophobicContact CD2-CD2 4.1Å; Y166-F185 AromaticContact CD2-CG 3.81Å; Y166-F185 HydrophobicContact CD2-CG 3.81Å; Y166-F185 HydrophobicContact CE1-CD1 4.05Å; Y166-F185 AromaticContact CE1-CE1 3.85Å; Y166-F185 HydrophobicContact CE1-CE1 3.85Å; Y166-F185 HydrophobicContact CE1-CZ 4.15Å; Y166-F185 HydrophobicContact CE2-CB 4.45Å; Y166-F185 HydrophobicContact CE2-CD1 4.25Å; Y166-F185 HydrophobicContact CE2-CG 4.28Å; Y166-F185 HydrophobicContact CG-CB 4.36Å; Y166-F185 HydrophobicContact CG-CD1 4.05Å; Y166-F185 AromaticContact CG-CD2 3.57Å; Y166-F185 HydrophobicContact CG-CD2 3.57Å; Y166-F185 HydrophobicContact CG-CE1 4.24Å; Y166-F185 AromaticContact CG-CE2 3.78Å; Y166-F185 HydrophobicContact CG-CE2 3.78Å; Y166-F185 AromaticContact CG-CG 3.7Å; Y166-F185 HydrophobicContact CG-CG 3.7Å; Y166-F185 HydrophobicContact CG-CZ 4.11Å; I179-F185 HydrophobicContact CB-CB 4.41Å; I179-F185 HydrophobicContact CD1-CD2 4.4Å; I179-F185 HydrophobicContact CG2-CB 3.92Å; D181-F185 WeakPolarHBondContact O-CB 3.18Å; D181-F185 PolarHBondContact O-N 3.02Å; E182-F185 PolarHBondContact O-N 3.32Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 3.16Å; F185-I188 PolarHBondContact O-N 3.47Å; F185-S189 WeakPolarHBondContact O-CB 3.29Å; F185-S189 PolarHBondContact O-N 3.04Å; F185-S189 PolarHBondContact O-OG 2.95Å; F185-N197 HydrophobicContact CE2-CB 4.09Å; F185-N197 HydrophobicContact CZ-CB 4.07Å
186Y93.2Very high91.9Very high129 Ų12967.4 Ų67.451%0.50633%0.325SS..Hα-helixtrans-60.8-43.1175.7-75.8-60.6000111.4E182 T183 E184 I188 S189 M190E182-Y186 HydrophobicContact CB-CD2 4.43Å; E182-Y186 HydrophobicContact CB-CE2 4.18Å; E182-Y186 WeakPolarHBondContact O-CD2 3.27Å; E182-Y186 PolarHBondContact O-N 2.93Å; T183-Y186 PolarHBondContact O-N 2.88Å; E184-Y186 PolarHBondContact O-N 3Å; Y186-I188 PolarHBondContact O-N 2.86Å; Y186-S189 PolarHBondContact O-OG 2.91Å; Y186-M190 WeakPolarHBondContact O-CB 3.25Å; Y186-M190 VanDerWaalsContact O-CE 3.23Å; Y186-M190 WeakPolarHBondContact O-CE 3.37Å; Y186-M190 VanDerWaalsContact O-CG 3.24Å; Y186-M190 WeakPolarHBondContact O-CG 3.43Å; Y186-M190 PolarHBondContact O-N 2.8Å
187R92.6Very high91.5Very high123 Ų12369.8 Ų69.846%0.46434%0.337SS..Hα-helixtrans-60.9-43.4179.4-171.5-170.667.872.3-1.4112.4T183 E184 F185T183-R187 WeakPolarHBondContact O-CB 3.45Å; T183-R187 PolarHBondContact O-N 3.39Å; E184-R187 VanDerWaalsContact CD-NH2 3.31Å; E184-R187 WeakPolarHBondContact O-CB 3.36Å; E184-R187 PolarHBondContact O-N 3.22Å; E184-R187 IonicContact OE1-CZ 2.76Å; E184-R187 IonicContact OE1-NE 3.98Å; E184-R187 IonicContact OE1-NH2 3.57Å; E184-R187 PolarHBondContact OE1-NH2 2.67Å; E184-R187 IonicContact OE2-CZ 2.73Å; E184-R187 IonicContact OE2-NE 3.09Å; E184-R187 PolarHBondContact OE2-NE 2.83Å; E184-R187 IonicContact OE2-NH2 2.83Å; E184-R187 PolarHBondContact OE2-NH2 3.49Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 3.16Å
188I91Very high91.2Very high4 Ų472.1 Ų72.12%0.02135%0.346CS..Hα-helixtrans-79.4-44.6-177.9-65.4174.5000111T168 Y177 I179 E184 F185 Y186 M190 Q191 A194T168-I188 HydrophobicContact CG2-CG2 3.75Å; Y177-I188 HydrophobicContact CD1-CD1 4.35Å; Y177-I188 HydrophobicContact CD2-CD1 4.47Å; Y177-I188 HydrophobicContact CD2-CG2 3.81Å; Y177-I188 HydrophobicContact CE2-CG2 4.12Å; Y177-I188 HydrophobicContact CG-CD1 4.31Å; Y177-I188 HydrophobicContact CG-CG2 4.48Å; I179-I188 HydrophobicContact CD1-CB 4.09Å; I179-I188 HydrophobicContact CD1-CD1 3.64Å; I179-I188 HydrophobicContact CD1-CG1 4.4Å; I179-I188 HydrophobicContact CD1-CG2 4.24Å; I179-I188 HydrophobicContact CG1-CD1 4.39Å; E184-I188 HydrophobicContact CG-CD1 4Å; E184-I188 WeakPolarHBondContact O-CG1 3.18Å; E184-I188 PolarHBondContact O-N 2.82Å; F185-I188 PolarHBondContact O-N 3.47Å; Y186-I188 PolarHBondContact O-N 2.86Å; I188-M190 PolarHBondContact O-N 2.93Å; I188-Q191 WeakPolarHBondContact O-CB 3.36Å; I188-Q191 WeakPolarHBondContact O-CG 3.11Å; I188-Q191 PolarHBondContact O-N 2.86Å; I188-A194 WeakPolarHBondContact O-CB 3.42Å
189S91.9Very high91.1Very high24 Ų2474 Ų7417%0.16836%0.358CS..Hα-helixtrans-65.5-23.2-177.761.40000113.7F185 Y186 Q191 N197F185-S189 WeakPolarHBondContact O-CB 3.29Å; F185-S189 PolarHBondContact O-N 3.04Å; F185-S189 PolarHBondContact O-OG 2.95Å; Y186-S189 PolarHBondContact O-OG 2.91Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; S189-N197 VanDerWaalsContact CB-CG 3.49Å; S189-N197 PolarHBondContact O-ND2 3.11Å
190M90.9Very high91Very high144 Ų14473.7 Ų73.771%0.70936%0.357SS*.THydrogen-bonded Turntrans-79.8-5.9173.8-73.1-169.2-70.100114.3Y186 I188Y186-M190 WeakPolarHBondContact O-CB 3.25Å; Y186-M190 VanDerWaalsContact O-CE 3.23Å; Y186-M190 WeakPolarHBondContact O-CE 3.37Å; Y186-M190 VanDerWaalsContact O-CG 3.24Å; Y186-M190 WeakPolarHBondContact O-CG 3.43Å; Y186-M190 PolarHBondContact O-N 2.8Å; I188-M190 PolarHBondContact O-N 2.93Å
191Q89.4Confident91Very high56 Ų5672.8 Ų72.826%0.26235%0.35SS..SBendtrans-69.9141.7178-65.1-176.6-7.800111.4Y170 I188 S189 R193 A194Y170-Q191 HydrophobicContact CE2-CB 3.92Å; I188-Q191 WeakPolarHBondContact O-CB 3.36Å; I188-Q191 WeakPolarHBondContact O-CG 3.11Å; I188-Q191 PolarHBondContact O-N 2.86Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; Q191-R193 PolarHBondContact O-N 2.87Å; Q191-A194 HydrophobicContact CB-CB 4.36Å; Q191-A194 VanDerWaalsContact O-CB 3.3Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.36Å
192P87.1Confident91.1Very high105 Ų10571.9 Ų71.968%0.68234%0.34SS*.THydrogen-bonded Turntrans-58.1128.4173.9-22.232.5000110.7Y170 A194Y170-P192 WeakPolarHBondContact CE2-O 3.43Å; P192-A194 VanDerWaalsContact C-N 3.33Å
193R87.5Confident91.4Very high179 Ų17967.3 Ų67.368%0.67532%0.319SS*.THydrogen-bonded Turntrans73.513.1-176.1-47.3173175.7175.7-0.6115.6Q191 E195Q191-R193 PolarHBondContact O-N 2.87Å; R193-E195 PolarHBondContact O-N 3.3Å
194A89.9Confident91.6Very high16 Ų1662.1 Ų62.113%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-69.6121.4161.200000109.1T168 Y170 I188 Q191 P192 N197T168-A194 HydrophobicContact CG2-CB 3.91Å; Y170-A194 HydrophobicContact CD2-CB 4.46Å; I188-A194 WeakPolarHBondContact O-CB 3.42Å; Q191-A194 HydrophobicContact CB-CB 4.36Å; Q191-A194 VanDerWaalsContact O-CB 3.3Å; Q191-A194 WeakPolarHBondContact O-CB 3.37Å; Q191-A194 PolarHBondContact O-N 3.36Å; P192-A194 VanDerWaalsContact C-N 3.33Å; A194-N197 PolarHBondContact O-ND2 2.98Å
195E89Confident91.8Very high102 Ų10265.1 Ų65.148%0.47730%0.299SS..EExtended strand (participates in β ladder)trans-121.4168.5-176.8-67.7177.6-170.500110.6W169 R193 N197W169-E195 PolarHBondContact N-O 3.35Å; W169-E195 PolarHBondContact O-N 3.31Å; R193-E195 PolarHBondContact O-N 3.3Å; E195-N197 PolarHBondContact O-N 2.94Å; E195-N197 PolarHBondContact O-OD1 2.79Å
196H82Confident91.9Very high59 Ų5965.1 Ų65.127%0.27330%0.304SS..EExtended strand (participates in β ladder)trans58.625178.9-60.8-91.7000115.4R167 W169 R198 D285R167-H196 CarbonylContact O-C 3.54Å; W169-H196 HydrophobicContact CB-CB 4.48Å; H196-R198 VanDerWaalsContact C-N 3.28Å; H196-R198 PolarHBondContact O-N 3.2Å; H196-D285 IonicContact CE1-OD1 2.86Å; H196-D285 IonicContact CE1-OD2 3.54Å; H196-D285 IonicContact ND1-OD1 2.91Å; H196-D285 IonicContact ND1-OD2 3.81Å; H196-D285 PolarHBondContact ND1-OD2 3.34Å
197N84.1Confident91.9Very high57 Ų5765 Ų6531%0.30531%0.311SS..EExtended strand (participates in β ladder)trans-6768.8-177.6-60-34.4000113.8R167 T168 F185 S189 A194 E195R167-N197 WeakPolarHBondContact O-CA 3.33Å; T168-N197 WeakPolarHBondContact CB-OD1 3.41Å; T168-N197 WeakPolarHBondContact CG2-OD1 3.38Å; T168-N197 PolarHBondContact OG1-OD1 2.88Å; F185-N197 HydrophobicContact CE2-CB 4.09Å; F185-N197 HydrophobicContact CZ-CB 4.07Å; S189-N197 VanDerWaalsContact CB-CG 3.49Å; S189-N197 PolarHBondContact O-ND2 3.11Å; A194-N197 PolarHBondContact O-ND2 2.98Å; E195-N197 PolarHBondContact O-N 2.94Å; E195-N197 PolarHBondContact O-OD1 2.79Å
198R88.2Confident91.8Very high96 Ų9660.1 Ų60.136%0.36229%0.294SS..EExtended strand (participates in β ladder)trans-135.8152.9-177.963179.4171.7175.8-4.6112.6Y166 R167 H196 I200 D285Y166-R198 WeakPolarHBondContact CA-O 3.4Å; R167-R198 PolarHBondContact N-O 3.27Å; R167-R198 VanDerWaalsContact N-O 3.14Å; R167-R198 PolarHBondContact O-N 3.04Å; H196-R198 VanDerWaalsContact C-N 3.28Å; H196-R198 PolarHBondContact O-N 3.2Å; R198-I200 PolarHBondContact O-N 2.86Å; R198-D285 IonicContact CZ-OD2 3.38Å; R198-D285 IonicContact NE-OD2 3.43Å; R198-D285 IonicContact NH2-OD1 3.6Å; R198-D285 PolarHBondContact NH2-OD1 2.95Å; R198-D285 IonicContact NH2-OD2 2.67Å; R198-D285 PolarHBondContact NH2-OD2 3.08Å
199P93.4Very high91.7Very high41 Ų4166.8 Ų66.827%0.26634%0.336SS..EExtended strand (participates in β ladder)trans-56133.8164.1-19.629.6000110.1L165 Y166L165-P199 CarbonylContact O-C 3.59Å; L165-P199 WeakPolarHBondContact O-CA 3.21Å; Y166-P199 HydrophobicContact CD1-CB 4.39Å; Y166-P199 HydrophobicContact CD1-CG 3.96Å; Y166-P199 HydrophobicContact CE1-CB 4.4Å; Y166-P199 HydrophobicContact CE1-CG 3.68Å
200I95Very high91.5Very high3 Ų371.1 Ų71.12%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-108.4-17.917564.2161.3000112.1L165 R167 L178 R198 Q281 M306L165-I200 HydrophobicContact CB-CG1 4.27Å; L165-I200 HydrophobicContact CD2-CD1 3.83Å; L165-I200 HydrophobicContact CD2-CG1 4.07Å; L165-I200 HydrophobicContact CG-CD1 4.19Å; L165-I200 HydrophobicContact CG-CG1 4.04Å; L165-I200 VanDerWaalsContact O-CG1 3.32Å; L165-I200 WeakPolarHBondContact O-CG1 3.48Å; L165-I200 PolarHBondContact O-N 3.35Å; R167-I200 HydrophobicContact CB-CD1 4.28Å; R167-I200 HydrophobicContact CB-CG2 3.49Å; R167-I200 VanDerWaalsContact CB-CG2 3.49Å; L178-I200 HydrophobicContact CD2-CD1 3.79Å; R198-I200 PolarHBondContact O-N 2.86Å; I200-Q281 HydrophobicContact CB-CB 4.24Å; I200-Q281 HydrophobicContact CB-CG 4.01Å; I200-Q281 VanDerWaalsContact CG2-CD 3.43Å; I200-Q281 VanDerWaalsContact CG2-NE2 3.33Å; I200-M306 HydrophobicContact CB-CE 4.18Å; I200-M306 HydrophobicContact CD1-CE 3.96Å; I200-M306 HydrophobicContact CD1-SD 4.45Å; I200-M306 HydrophobicContact CG1-CE 3.89Å; I200-M306 HydrophobicContact CG1-SD 4.35Å; I200-M306 WeakPolarHBondContact O-CE 2.93Å
201G96.7Very high91.3Very high0 Ų064.3 Ų64.30%032%0.315CS..EExtended strand (participates in β ladder)trans172.7-160.6-178.700000111L165 W307L165-G201 PolarHBondContact N-O 2.62Å; G201-W307 CarbonylContact C-O 3.39Å; G201-W307 WeakPolarHBondContact CA-O 3.39Å
202R98Very high91.2Very high68 Ų6865.7 Ų65.726%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-129.5146.2172.4-66.6-178.5-66.8-169.2-8.1110.9L162 T163 M306 W307 S308 F309L162-R202 HydrophobicContact CB-CB 4.17Å; L162-R202 HydrophobicContact CD1-CB 4.42Å; T163-R202 CarbonylContact O-C 3.44Å; T163-R202 WeakPolarHBondContact O-CA 3.34Å; T163-R202 VanDerWaalsContact O-CB 3.26Å; T163-R202 WeakPolarHBondContact O-CB 3.19Å; R202-M306 WeakPolarHBondContact O-CB 3.23Å; R202-W307 HydrophobicContact CB-CB 4.29Å; R202-W307 PolarHBondContact N-O 3.12Å; R202-W307 PolarHBondContact O-N 2.69Å; R202-S308 PolarHBondContact NE-O 2.84Å; R202-S308 PolarHBondContact NH2-O 2.97Å; R202-F309 HydrophobicContact CG-CB 4.33Å
203V98.1Very high91Very high0 Ų063.1 Ų63.10%031%0.308CS..EExtended strand (participates in β ladder)trans-126.6159.9173.1-65.50000109.4L162 T163 L165 I217 M306L162-V203 CarbonylContact C-O 3.29Å; L162-V203 WeakPolarHBondContact CA-O 3.39Å; T163-V203 HydrophobicContact CG2-CG2 3.96Å; T163-V203 PolarHBondContact N-O 3.43Å; T163-V203 PolarHBondContact O-N 3.22Å; L165-V203 HydrophobicContact CB-CG1 4.22Å; L165-V203 HydrophobicContact CB-CG2 4.34Å; L165-V203 HydrophobicContact CD1-CG2 4.42Å; L165-V203 HydrophobicContact CD2-CG1 3.99Å; V203-I217 HydrophobicContact CB-CD1 4.29Å; V203-I217 HydrophobicContact CG1-CD1 3.71Å; V203-M306 HydrophobicContact CG1-CB 4.21Å
204A98Very high91Very high0 Ų055.3 Ų55.30%028%0.279CS..EExtended strand (participates in β ladder)trans-78139.4175.500000110.7P159 N161 L162 G206 L214 G252 Y253P159-A204 HydrophobicContact CB-CB 4.04Å; P159-A204 HydrophobicContact CG-CB 4.21Å; N161-A204 WeakPolarHBondContact OD1-CB 3.5Å; L162-A204 HydrophobicContact CD2-CB 4.23Å; A204-G206 PolarHBondContact O-N 3.42Å; A204-L214 HydrophobicContact CB-CD1 4.07Å; A204-L214 HydrophobicContact CB-CD2 3.92Å; A204-G252 CarbonylContact O-C 3.59Å; A204-G252 WeakPolarHBondContact O-CA 3.12Å; A204-Y253 PolarHBondContact N-O 3.02Å; A204-Y253 PolarHBondContact O-N 3.39Å
205K97.4Very high91Very high143 Ų14355.8 Ų55.862%0.62228%0.28SS*.SBendtrans-68.6-20.2176.6-69-172.3178.5-170.80113.4N161 T163N161-K205 PolarHBondContact O-N 2.93Å; T163-K205 HydrophobicContact CG2-CG 3.79Å; T163-K205 VanDerWaalsContact OG1-CE 3.3Å; T163-K205 WeakPolarHBondContact OG1-CE 3.5Å
206G96.1Very high91.3Very high18 Ų1851.8 Ų51.819%0.18627%0.265CS..SBendtrans-167.2176-175.500000110.5N161 A204 Y253N161-G206 PolarHBondContact ND2-N 2.96Å; N161-G206 PolarHBondContact ND2-O 3.48Å; A204-G206 PolarHBondContact O-N 3.42Å; G206-Y253 VanDerWaalsContact CA-CD2 3.45Å
207L93.5Very high92Very high127 Ų12749 Ų4967%0.66525%0.252SS*.  trans-56.2144.3170.6-59.3178.1000110.8L214 Y253L207-L214 HydrophobicContact CD2-CB 4.03Å; L207-Y253 HydrophobicContact CD2-CD1 3.7Å; L207-Y253 HydrophobicContact CD2-CE1 3.7Å; L207-Y253 HydrophobicContact CG-CD1 4.45Å; L207-Y253 HydrophobicContact CG-CE1 4.09Å
208D89.9Confident92.6Very high20 Ų2048 Ų4811%0.10725%0.245CC..BIsolated β-bridgetrans-137.6128.4-179.7-169.4-38.4000108P159 G160 N161 R210 C211 L214P159-D208 WeakPolarHBondContact CA-OD2 3.2Å; P159-D208 HydrophobicContact CB-CB 3.96Å; G160-D208 PolarHBondContact N-OD2 3.2Å; N161-D208 PolarHBondContact OD1-OD2 3.39Å; D208-R210 PolarHBondContact O-N 3.16Å; D208-R210 VanDerWaalsContact O-N 3.12Å; D208-R210 VanDerWaalsContact OD1-CB 3.28Å; D208-R210 WeakPolarHBondContact OD1-CB 3.49Å; D208-R210 IonicContact OD1-CZ 3.89Å; D208-R210 PolarHBondContact OD1-N 2.92Å; D208-R210 IonicContact OD1-NE 2.78Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 2.69Å; D208-R210 IonicContact OD2-CZ 2.81Å; D208-R210 VanDerWaalsContact OD2-CZ 3.24Å; D208-R210 IonicContact OD2-NE 3.49Å; D208-R210 PolarHBondContact OD2-NE 3.04Å; D208-R210 VanDerWaalsContact OD2-NE 3.09Å; D208-R210 IonicContact OD2-NH2 3.8Å; D208-R210 PolarHBondContact OD2-NH2 3.44Å; D208-C211 CarbonylContact O-C 3.52Å; D208-C211 VanDerWaalsContact O-C 3.29Å; D208-C211 PolarHBondContact O-N 3.05Å; D208-L214 HydrophobicContact CB-CD1 3.89Å
209T89.1Confident93.1Very high144 Ų14445 Ų4588%0.88324%0.235SC*.THydrogen-bonded Turntrans-63.5-19-178.253.20000112.9C211T209-C211 VanDerWaalsContact C-N 3.31Å
210R88.8Confident93.2Very high116 Ų11643 Ų4344%0.43822%0.223SC..THydrogen-bonded Turntrans-67.1-30.7170.6-74.4174.7-74.1-158-14113.1G156 S157 G160 D208G156-R210 CarbonylContact C-O 3.55Å; G156-R210 WeakPolarHBondContact CA-O 3.09Å; S157-R210 PolarHBondContact N-O 2.86Å; S157-R210 CarbonylContact O-C 3.41Å; S157-R210 WeakPolarHBondContact OG-CB 3.42Å; G160-R210 VanDerWaalsContact CA-NH1 3.32Å; D208-R210 PolarHBondContact O-N 3.16Å; D208-R210 VanDerWaalsContact O-N 3.12Å; D208-R210 VanDerWaalsContact OD1-CB 3.28Å; D208-R210 WeakPolarHBondContact OD1-CB 3.49Å; D208-R210 IonicContact OD1-CZ 3.89Å; D208-R210 PolarHBondContact OD1-N 2.92Å; D208-R210 IonicContact OD1-NE 2.78Å; D208-R210 PolarHBondContact OD1-NE 3.28Å; D208-R210 IonicContact OD1-NH2 2.69Å; D208-R210 IonicContact OD2-CZ 2.81Å; D208-R210 VanDerWaalsContact OD2-CZ 3.24Å; D208-R210 IonicContact OD2-NE 3.49Å; D208-R210 PolarHBondContact OD2-NE 3.04Å; D208-R210 VanDerWaalsContact OD2-NE 3.09Å; D208-R210 IonicContact OD2-NH2 3.8Å; D208-R210 PolarHBondContact OD2-NH2 3.44Å
211C87.3Confident93.2Very high1 Ų145.5 Ų45.51%0.00723%0.232CC..BIsolated β-bridgetrans-127.185.1-178-1740000110.8P159 D208 T209 Q213 L214 C261P159-C211 HydrophobicContact CG-CB 3.74Å; D208-C211 CarbonylContact O-C 3.52Å; D208-C211 VanDerWaalsContact O-C 3.29Å; D208-C211 PolarHBondContact O-N 3.05Å; T209-C211 VanDerWaalsContact C-N 3.31Å; C211-Q213 PolarHBondContact O-N 3.38Å; C211-Q213 VanDerWaalsContact O-N 3.1Å; C211-L214 HydrophobicContact CB-CD1 4.09Å; C211-L214 HydrophobicContact CB-CG 3.9Å; C211-L214 VanDerWaalsContact O-CG 3.32Å; C211-L214 WeakPolarHBondContact O-CG 3.5Å; C211-L214 PolarHBondContact O-N 3.03Å; C211-C261 WeakPolarHBondContact CA-SG 3.35Å; C211-C261 HydrophobicContact CB-CB 3.68Å; C211-C261 WeakPolarHBondContact CB-SG 3.41Å; C211-C261 WeakPolarHBondContact SG-CB 3.34Å; C211-C261 CovalentContact SG-SG 2.01Å; C211-C261 PolarHBondContact SG-SG 2.75Å
212P85.5Confident93Very high84 Ų8445.9 Ų45.955%0.54524%0.235SC..THydrogen-bonded Turntrans-69.7-4.9179.529-35.3000113.7L214P212-L214 VanDerWaalsContact C-N 3.35Å
213Q83.3Confident92.6Very high52 Ų5245.4 Ų45.424%0.24325%0.245CC..THydrogen-bonded Turntrans-93.36.8178.9-53.5-54-47.500113C211 V215 V255 V260C211-Q213 PolarHBondContact O-N 3.38Å; C211-Q213 VanDerWaalsContact O-N 3.1Å; Q213-V215 PolarHBondContact O-N 3.22Å; Q213-V255 HydrophobicContact CB-CG1 4.44Å; Q213-V260 HydrophobicContact CB-CG1 3.47Å; Q213-V260 VanDerWaalsContact CB-CG1 3.47Å; Q213-V260 HydrophobicContact CG-CG1 3.67Å
214L88.7Confident92.2Very high14 Ų1450 Ų507%0.07328%0.283CS..  trans-63.3128.7177.8-76.8171.1000111P159 A204 L207 D208 C211 P212 A254 V255 W307P159-L214 HydrophobicContact CG-CD1 4.18Å; P159-L214 HydrophobicContact CG-CD2 4.13Å; A204-L214 HydrophobicContact CB-CD1 4.07Å; A204-L214 HydrophobicContact CB-CD2 3.92Å; L207-L214 HydrophobicContact CD2-CB 4.03Å; D208-L214 HydrophobicContact CB-CD1 3.89Å; C211-L214 HydrophobicContact CB-CD1 4.09Å; C211-L214 HydrophobicContact CB-CG 3.9Å; C211-L214 VanDerWaalsContact O-CG 3.32Å; C211-L214 WeakPolarHBondContact O-CG 3.5Å; C211-L214 PolarHBondContact O-N 3.03Å; P212-L214 VanDerWaalsContact C-N 3.35Å; L214-A254 WeakPolarHBondContact CA-O 3.38Å; L214-V255 HydrophobicContact CD2-CG1 4.38Å; L214-W307 HydrophobicContact CD2-CH2 3.61Å; L214-W307 HydrophobicContact CD2-CZ3 4.34Å
215V89.5Confident91.7Very high27 Ų2753.5 Ų53.516%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-120.1143.9174.1-68.30000109.6Q213 V232 Y253 A254 K256Q213-V215 PolarHBondContact O-N 3.22Å; V215-V232 HydrophobicContact CB-CB 4.44Å; V215-V232 HydrophobicContact CG2-CB 3.72Å; V215-V232 HydrophobicContact CG2-CG1 4.06Å; V215-V232 HydrophobicContact CG2-CG2 4.33Å; V215-Y253 CarbonylContact O-C 3.59Å; V215-Y253 WeakPolarHBondContact O-CA 3.23Å; V215-A254 WeakPolarHBondContact CG2-O 3.33Å; V215-A254 PolarHBondContact N-O 2.85Å; V215-A254 PolarHBondContact O-N 3.03Å; V215-K256 HydrophobicContact CG2-CG 4.03Å
216A95.8Very high91.2Very high18 Ų1850.6 Ų50.615%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-69.3139.3179.100000110.8V232 I250 Y253A216-V232 WeakPolarHBondContact O-CA 3.26Å; A216-I250 HydrophobicContact CB-CD1 3.8Å; A216-I250 HydrophobicContact CB-CG1 4.05Å; A216-I250 HydrophobicContact CB-CG2 3.99Å; A216-Y253 HydrophobicContact CB-CD1 4.07Å; A216-Y253 HydrophobicContact CB-CE1 3.78Å
217I96.6Very high91Very high0 Ų050 Ų500%029%0.289CS..EExtended strand (participates in β ladder)trans-93.9101167.8-54.8159.9000107.1V203 I231 V232 I250 I251 G252 A254 F304V203-I217 HydrophobicContact CB-CD1 4.29Å; V203-I217 HydrophobicContact CG1-CD1 3.71Å; I217-I231 CarbonylContact C-O 3.53Å; I217-I231 WeakPolarHBondContact CA-O 3.05Å; I217-V232 HydrophobicContact CB-CG1 4.25Å; I217-V232 HydrophobicContact CG1-CG1 3.63Å; I217-I250 WeakPolarHBondContact O-CA 3.34Å; I217-I251 HydrophobicContact CB-CG1 3.84Å; I217-I251 HydrophobicContact CG2-CD1 3.87Å; I217-I251 HydrophobicContact CG2-CG1 3.64Å; I217-I251 PolarHBondContact O-N 2.99Å; I217-G252 PolarHBondContact N-O 3.09Å; I217-A254 HydrophobicContact CD1-CB 3.67Å; I217-A254 HydrophobicContact CG1-CB 3.87Å; I217-F304 HydrophobicContact CD1-CD2 4.39Å; I217-F304 HydrophobicContact CD1-CE1 4.4Å; I217-F304 HydrophobicContact CD1-CE2 4Å; I217-F304 HydrophobicContact CD1-CZ 4.01Å; I217-F304 HydrophobicContact CG1-CD1 4.48Å; I217-F304 HydrophobicContact CG1-CE1 4.4Å; I217-F304 HydrophobicContact CG1-CZ 4.5Å; I217-F304 HydrophobicContact CG2-CE1 4.06Å; I217-F304 HydrophobicContact CG2-CZ 4.47Å
218H96.2Very high91Very high37 Ų3744.6 Ų44.617%0.17126%0.26CS..EExtended strand (participates in β ladder)trans-78.7133176.2-69.1-92.5000110.2Y230 I231 Y237H218-Y230 CarbonylContact O-C 3.54Å; H218-Y230 VanDerWaalsContact O-CA 3.25Å; H218-Y230 WeakPolarHBondContact O-CA 3.37Å; H218-I231 HydrophobicContact CB-CG2 3.97Å; H218-I231 PolarHBondContact N-O 3.16Å; H218-I231 PolarHBondContact O-N 3.46Å; H218-Y237 HydrophobicContact CB-CD2 3.73Å; H218-Y237 HydrophobicContact CB-CE2 3.76Å; H218-Y237 AromaticContact CE1-CE2 4Å; H218-Y237 AromaticContact CG-CD2 3.67Å; H218-Y237 AromaticContact CG-CE2 3.53Å; H218-Y237 AromaticContact ND1-CD2 3.95Å; H218-Y237 AromaticContact ND1-CE2 3.34Å; H218-Y237 VanDerWaalsContact ND1-CE2 3.34Å; H218-Y237 WeakPolarHBondContact ND1-CE2 3.46Å; H218-Y237 AromaticContact ND1-CZ 3.8Å
219H97.5Very high91.2Very high32 Ų3244.1 Ų44.115%0.14826%0.257CS..EExtended strand (participates in β ladder)trans-96.5109.1172174.6-163.2000108.4D228 Y230 R248 G249 I251H219-D228 IonicContact CD2-OD1 2.7Å; H219-D228 IonicContact CE1-OD1 2.68Å; H219-D228 PolarHBondContact CE1-OD1 3.08Å; H219-D228 IonicContact NE2-OD1 3.58Å; H219-D228 PolarHBondContact NE2-OD1 3.38Å; H219-Y230 HydrophobicContact CB-CD1 3.88Å; H219-Y230 HydrophobicContact CB-CE1 3.74Å; H219-Y230 AromaticContact CD2-CE1 3.52Å; H219-Y230 AromaticContact CD2-CZ 3.84Å; H219-Y230 AromaticContact CG-CE1 3.5Å; H219-R248 HydrophobicContact CB-CB 4.25Å; H219-R248 WeakPolarHBondContact O-CA 3.39Å; H219-R248 VanDerWaalsContact O-CB 3.31Å; H219-R248 WeakPolarHBondContact O-CB 3.3Å; H219-R248 PolarHBondContact O-N 2.93Å; H219-G249 PolarHBondContact N-O 2.81Å; H219-I251 HydrophobicContact CB-CG2 3.93Å
220L95.9Very high91.6Very high0 Ų037.3 Ų37.30%022%0.215CC..EExtended strand (participates in β ladder)trans-103.8146.6176.2-61-175.8000110.4D228 Y229 I231 Y237 L240 L241 Y245 E246 D247L220-D228 CarbonylContact O-C 3.56Å; L220-D228 WeakPolarHBondContact O-CA 3.25Å; L220-Y229 PolarHBondContact N-O 3.01Å; L220-Y229 PolarHBondContact O-N 3.09Å; L220-I231 HydrophobicContact CD1-CG2 3.85Å; L220-I231 HydrophobicContact CG-CG2 4.19Å; L220-Y237 HydrophobicContact CD1-CD2 4Å; L220-Y237 HydrophobicContact CD2-CD2 3.96Å; L220-Y237 HydrophobicContact CD2-CE2 3.66Å; L220-Y237 HydrophobicContact CG-CD2 4.3Å; L220-Y237 HydrophobicContact CG-CE2 4.46Å; L220-L240 HydrophobicContact CD1-CB 3.72Å; L220-L240 HydrophobicContact CD1-CD1 3.61Å; L220-L240 HydrophobicContact CD1-CG 4.33Å; L220-L241 HydrophobicContact CD2-CD2 3.91Å; L220-Y245 HydrophobicContact CB-CD1 3.86Å; L220-Y245 HydrophobicContact CB-CG 4.48Å; L220-E246 CarbonylContact C-O 3.49Å; L220-E246 WeakPolarHBondContact CA-O 3.25Å; L220-D247 HydrophobicContact CD2-CB 3.93Å
221Y95.2Very high91.7Very high54 Ų5432 Ų3221%0.21220%0.195CC..EExtended strand (participates in β ladder)trans-127.3131.7176.6176.2-102.1000110.8A223 Y245 E246Y221-A223 HydrophobicContact CE1-CB 3.9Å; Y221-Y245 CarbonylContact O-C 3.55Å; Y221-Y245 WeakPolarHBondContact O-CA 3.48Å; Y221-E246 PolarHBondContact N-O 2.79Å; Y221-E246 PolarHBondContact O-N 3.49Å
222S92.6Very high91.7Very high9 Ų932.3 Ų32.36%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-106.4114.2170.3-1790000110.6A224 I225 T226 S227S222-A224 VanDerWaalsContact C-N 3.25Å; S222-A224 PolarHBondContact O-N 2.76Å; S222-I225 WeakPolarHBondContact OG-CG1 3.18Å; S222-T226 VanDerWaalsContact O-CA 3.22Å; S222-T226 WeakPolarHBondContact O-CA 3.47Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-S227 PolarHBondContact N-O 2.69Å; S222-S227 PolarHBondContact O-N 3.26Å
223A90.6Very high91.5Very high57 Ų5729.4 Ų29.447%0.47118%0.177SC..THydrogen-bonded Turntrans-66.2-28.8174.200000112.6Y221 I225Y221-A223 HydrophobicContact CE1-CB 3.9Å; A223-I225 VanDerWaalsContact C-N 3.32Å; A223-I225 PolarHBondContact O-N 2.73Å
224A88.3Confident91.2Very high96 Ų9630.3 Ų30.379%0.79319%0.189SC*.THydrogen-bonded Turntrans-66.5-33.6-177.900000113.1S222S222-A224 VanDerWaalsContact C-N 3.25Å; S222-A224 PolarHBondContact O-N 2.76Å
225I87.2Confident90.5Very high75 Ų7530.3 Ų30.339%0.38519%0.19SC..THydrogen-bonded Turntrans-120.15.8-179.253.4161.1000112.8S222 A223 S227 A276S222-I225 WeakPolarHBondContact OG-CG1 3.18Å; A223-I225 VanDerWaalsContact C-N 3.32Å; A223-I225 PolarHBondContact O-N 2.73Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.5Å; I225-A276 HydrophobicContact CD1-CB 3.48Å; I225-A276 VanDerWaalsContact CD1-CB 3.48Å
226T88.9Confident89.9Confident81 Ų8132.3 Ų32.350%0.49720%0.2SC..THydrogen-bonded Turntrans49.344.8-179.9550000113.7S222S222-T226 VanDerWaalsContact O-CA 3.22Å; S222-T226 WeakPolarHBondContact O-CA 3.47Å; S222-T226 PolarHBondContact O-N 3.25Å
227S90.7Very high89.1Confident7 Ų732.9 Ų32.95%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-124.2136.8-175.2-175.40000111.6S222 I225S222-S227 PolarHBondContact N-O 2.69Å; S222-S227 PolarHBondContact O-N 3.26Å; I225-S227 VanDerWaalsContact C-N 3.28Å; I225-S227 PolarHBondContact O-N 3.5Å
228D93.8Very high88.3Confident13 Ų1338 Ų387%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-86.2144.8166.3-59.1-92.8000109.8T175 H219 L220 Y230T175-D228 HydrophobicContact CG2-CB 4.43Å; T175-D228 WeakPolarHBondContact CG2-OD2 3.41Å; H219-D228 IonicContact CD2-OD1 2.7Å; H219-D228 IonicContact CE1-OD1 2.68Å; H219-D228 PolarHBondContact CE1-OD1 3.08Å; H219-D228 IonicContact NE2-OD1 3.58Å; H219-D228 PolarHBondContact NE2-OD1 3.38Å; L220-D228 CarbonylContact O-C 3.56Å; L220-D228 WeakPolarHBondContact O-CA 3.25Å; D228-Y230 HydrophobicContact CB-CE2 4.25Å
229Y94.5Very high87.5Confident9 Ų938.5 Ų38.54%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-143.4132.9177.4-175.3-151.4000110.4L220 I231 L236 L240 E269 H277 Q279L220-Y229 PolarHBondContact N-O 3.01Å; L220-Y229 PolarHBondContact O-N 3.09Å; Y229-I231 HydrophobicContact CE1-CD1 4.27Å; Y229-L236 HydrophobicContact CE1-CD2 4.49Å; Y229-L240 HydrophobicContact CD1-CD1 3.65Å; Y229-L240 HydrophobicContact CD1-CD2 4.45Å; Y229-L240 HydrophobicContact CE1-CD1 3.56Å; Y229-L240 HydrophobicContact CE1-CD2 4.49Å; Y229-E269 WeakPolarHBondContact CE2-OE1 3.2Å; Y229-E269 VanDerWaalsContact CE2-OE2 3.3Å; Y229-E269 WeakPolarHBondContact CE2-OE2 3.28Å; Y229-E269 VanDerWaalsContact OH-CD 3.27Å; Y229-E269 PolarHBondContact OH-OE1 2.82Å; Y229-E269 PolarHBondContact OH-OE2 3.34Å; Y229-H277 AromaticContact CD1-CE1 3.89Å; Y229-H277 AromaticContact CD1-NE2 4Å; Y229-H277 HydrophobicContact CD2-CB 3.8Å; Y229-H277 AromaticContact CD2-CG 3.63Å; Y229-H277 AromaticContact CD2-ND1 3.66Å; Y229-H277 AromaticContact CE1-CE1 3.74Å; Y229-H277 HydrophobicContact CE2-CB 4.32Å; Y229-H277 AromaticContact CE2-CG 3.98Å; Y229-H277 AromaticContact CE2-ND1 3.53Å; Y229-H277 HydrophobicContact CG-CB 4.34Å; Y229-H277 AromaticContact CG-CD2 3.95Å; Y229-H277 AromaticContact CG-CG 3.86Å; Y229-H277 AromaticContact CG-ND1 3.99Å; Y229-H277 AromaticContact CZ-CE1 3.88Å; Y229-H277 AromaticContact CZ-ND1 3.72Å; Y229-Q279 VanDerWaalsContact CE2-NE2 3.34Å
230Y97Very high86.8Confident2 Ų238 Ų381%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-112.6121.1-176.8-55.7-87.6000110.6N176 Y177 L178 H218 H219 D228 I251 Q279 T303N176-Y230 WeakPolarHBondContact O-CE2 3.33Å; Y177-Y230 WeakPolarHBondContact CA-OH 3.32Å; L178-Y230 HydrophobicContact CB-CD1 4.12Å; L178-Y230 HydrophobicContact CB-CD2 3.8Å; L178-Y230 HydrophobicContact CB-CE1 4.03Å; L178-Y230 HydrophobicContact CB-CE2 3.73Å; L178-Y230 HydrophobicContact CB-CG 3.99Å; L178-Y230 HydrophobicContact CD1-CD2 3.81Å; L178-Y230 HydrophobicContact CD1-CE2 4.48Å; L178-Y230 HydrophobicContact CD1-CG 3.99Å; L178-Y230 HydrophobicContact CG-CD2 3.67Å; L178-Y230 HydrophobicContact CG-CE2 3.84Å; L178-Y230 HydrophobicContact CG-CG 4.17Å; L178-Y230 VanDerWaalsContact N-CE2 3.29Å; L178-Y230 PolarHBondContact N-OH 3.27Å; L178-Y230 VanDerWaalsContact O-CE1 3.25Å; L178-Y230 WeakPolarHBondContact O-CE1 3.39Å; L178-Y230 PolarHBondContact O-OH 3.24Å; H218-Y230 CarbonylContact O-C 3.54Å; H218-Y230 VanDerWaalsContact O-CA 3.25Å; H218-Y230 WeakPolarHBondContact O-CA 3.37Å; H219-Y230 HydrophobicContact CB-CD1 3.88Å; H219-Y230 HydrophobicContact CB-CE1 3.74Å; H219-Y230 AromaticContact CD2-CE1 3.52Å; H219-Y230 AromaticContact CD2-CZ 3.84Å; H219-Y230 AromaticContact CG-CE1 3.5Å; D228-Y230 HydrophobicContact CB-CE2 4.25Å; Y230-I251 HydrophobicContact CD1-CD1 3.52Å; Y230-I251 HydrophobicContact CD1-CG1 4.19Å; Y230-I251 HydrophobicContact CD1-CG2 4.49Å; Y230-I251 HydrophobicContact CE1-CD1 3.85Å; Y230-I251 HydrophobicContact CE1-CG2 4.2Å; Y230-I251 HydrophobicContact CG-CD1 4.34Å; Y230-Q279 VanDerWaalsContact CB-OE1 3.3Å; Y230-Q279 PolarHBondContact O-NE2 2.83Å; Y230-Q279 PolarHBondContact O-OE1 2.93Å; Y230-T303 VanDerWaalsContact O-CG2 3.31Å; Y230-T303 WeakPolarHBondContact O-CG2 3.39Å
231I90.4Very high86.4Confident4 Ų440.6 Ų40.62%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-134.1144-169.1-173.1163.9000112.4I217 H218 L220 Y229 D233 L236 Y237 L240I217-I231 CarbonylContact C-O 3.53Å; I217-I231 WeakPolarHBondContact CA-O 3.05Å; H218-I231 HydrophobicContact CB-CG2 3.97Å; H218-I231 PolarHBondContact N-O 3.16Å; H218-I231 PolarHBondContact O-N 3.46Å; L220-I231 HydrophobicContact CD1-CG2 3.85Å; L220-I231 HydrophobicContact CG-CG2 4.19Å; Y229-I231 HydrophobicContact CE1-CD1 4.27Å; I231-D233 HydrophobicContact CD1-CB 4.21Å; I231-D233 HydrophobicContact CG1-CB 4.13Å; I231-L236 HydrophobicContact CD1-CB 3.59Å; I231-L236 HydrophobicContact CD1-CD2 3.43Å; I231-L236 VanDerWaalsContact CD1-CD2 3.43Å; I231-L236 HydrophobicContact CD1-CG 3.3Å; I231-Y237 HydrophobicContact CG2-CD2 4.21Å; I231-L240 HydrophobicContact CD1-CD1 3.84Å
232V87.9Confident85.9Confident7 Ų745.2 Ų45.24%0.04227%0.267CS..  trans-115.5-6.1172.7-59.60000113.1V215 A216 I217 K256 T303 F304V215-V232 HydrophobicContact CB-CB 4.44Å; V215-V232 HydrophobicContact CG2-CB 3.72Å; V215-V232 HydrophobicContact CG2-CG1 4.06Å; V215-V232 HydrophobicContact CG2-CG2 4.33Å; A216-V232 WeakPolarHBondContact O-CA 3.26Å; I217-V232 HydrophobicContact CB-CG1 4.25Å; I217-V232 HydrophobicContact CG1-CG1 3.63Å; V232-K256 HydrophobicContact CG2-CG 3.96Å; V232-K256 WeakPolarHBondContact O-CE 3.47Å; V232-T303 WeakPolarHBondContact CG2-O 3.24Å; V232-F304 HydrophobicContact CB-CB 4.5Å; V232-F304 HydrophobicContact CG1-CB 3.81Å; V232-F304 HydrophobicContact CG1-CD1 3.89Å; V232-F304 HydrophobicContact CG1-CG 4.07Å; V232-F304 HydrophobicContact CG2-CB 3.87Å
233D80.9Confident85.6Confident24 Ų2447.6 Ų47.613%0.12829%0.294CS..  trans-86113.8178.1-166.6-83.5000111.5I231 S235 L236 Y237 K256I231-D233 HydrophobicContact CD1-CB 4.21Å; I231-D233 HydrophobicContact CG1-CB 4.13Å; D233-S235 VanDerWaalsContact C-N 3.31Å; D233-S235 PolarHBondContact O-N 2.94Å; D233-S235 WeakPolarHBondContact OD1-CA 3.49Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 2.91Å; D233-S235 PolarHBondContact OD1-OG 2.95Å; D233-L236 HydrophobicContact CB-CB 4.22Å; D233-L236 PolarHBondContact OD1-N 2.8Å; D233-Y237 VanDerWaalsContact O-CB 3.23Å; D233-Y237 WeakPolarHBondContact O-CB 3.35Å; D233-Y237 PolarHBondContact O-N 2.81Å; D233-K256 IonicContact OD2-NZ 3.59Å; D233-K256 PolarHBondContact OD2-NZ 2.7Å
234S77.3Confident85.6Confident70 Ų7047.3 Ų47.349%0.4930%0.296SS..Hα-helixtrans-64.7-32.3-177.2-51.30000113.2E238S234-E238 WeakPolarHBondContact O-CG 3.36Å; S234-E238 PolarHBondContact O-N 2.92Å
235S72.9Confident85.9Confident15 Ų1544.3 Ų44.311%0.10526%0.264CS..Hα-helixtrans-74.4-41.8-177.774.80000111.6D233 S239D233-S235 VanDerWaalsContact C-N 3.31Å; D233-S235 PolarHBondContact O-N 2.94Å; D233-S235 WeakPolarHBondContact OD1-CA 3.49Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 2.91Å; D233-S235 PolarHBondContact OD1-OG 2.95Å; S235-S239 PolarHBondContact O-N 2.74Å; S235-S239 PolarHBondContact O-OG 3.09Å
236L77.3Confident86.4Confident69 Ų6944.9 Ų44.936%0.36127%0.265SS..Hα-helixtrans-73.4-32.8175.2174.762.5000110.9Y229 I231 D233 S239 L240Y229-L236 HydrophobicContact CE1-CD2 4.49Å; I231-L236 HydrophobicContact CD1-CB 3.59Å; I231-L236 HydrophobicContact CD1-CD2 3.43Å; I231-L236 VanDerWaalsContact CD1-CD2 3.43Å; I231-L236 HydrophobicContact CD1-CG 3.3Å; D233-L236 HydrophobicContact CB-CB 4.22Å; D233-L236 PolarHBondContact OD1-N 2.8Å; L236-S239 PolarHBondContact O-N 2.9Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 HydrophobicContact CD1-CG 4.03Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.3Å; L236-L240 WeakPolarHBondContact O-CB 3.38Å; L236-L240 WeakPolarHBondContact O-CD1 3.4Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.15Å
237Y79.8Confident86.8Confident29 Ų2944.4 Ų44.411%0.11426%0.259CS..Hα-helixtrans-54.3-54.5171.4170.2-95000112.1H218 L220 I231 D233 S239 L240 L241 D247H218-Y237 HydrophobicContact CB-CD2 3.73Å; H218-Y237 HydrophobicContact CB-CE2 3.76Å; H218-Y237 AromaticContact CE1-CE2 4Å; H218-Y237 AromaticContact CG-CD2 3.67Å; H218-Y237 AromaticContact CG-CE2 3.53Å; H218-Y237 AromaticContact ND1-CD2 3.95Å; H218-Y237 AromaticContact ND1-CE2 3.34Å; H218-Y237 VanDerWaalsContact ND1-CE2 3.34Å; H218-Y237 WeakPolarHBondContact ND1-CE2 3.46Å; H218-Y237 AromaticContact ND1-CZ 3.8Å; L220-Y237 HydrophobicContact CD1-CD2 4Å; L220-Y237 HydrophobicContact CD2-CD2 3.96Å; L220-Y237 HydrophobicContact CD2-CE2 3.66Å; L220-Y237 HydrophobicContact CG-CD2 4.3Å; L220-Y237 HydrophobicContact CG-CE2 4.46Å; I231-Y237 HydrophobicContact CG2-CD2 4.21Å; D233-Y237 VanDerWaalsContact O-CB 3.23Å; D233-Y237 WeakPolarHBondContact O-CB 3.35Å; D233-Y237 PolarHBondContact O-N 2.81Å; Y237-S239 VanDerWaalsContact C-N 3.29Å; Y237-S239 PolarHBondContact O-N 2.99Å; Y237-L240 PolarHBondContact O-N 3.13Å; Y237-L240 VanDerWaalsContact O-N 3.16Å; Y237-L241 HydrophobicContact CD1-CD1 4.29Å; Y237-L241 HydrophobicContact CE1-CD1 3.58Å; Y237-L241 HydrophobicContact CE1-CG 4.35Å; Y237-L241 HydrophobicContact CE2-CD1 4.33Å; Y237-L241 WeakPolarHBondContact O-CG 3.39Å; Y237-L241 PolarHBondContact O-N 3.04Å; Y237-L241 VanDerWaalsContact O-N 3.09Å; Y237-D247 PolarHBondContact OH-OD2 2.85Å
238E80.3Confident87Confident108 Ų10850.8 Ų50.851%0.50528%0.283SS..Hα-helixtrans-61.5-38.5178.7-67-60.8157.400112.1S234 L240 L241 M242S234-E238 WeakPolarHBondContact O-CG 3.36Å; S234-E238 PolarHBondContact O-N 2.92Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.36Å; E238-L241 PolarHBondContact O-N 3.5Å; E238-M242 WeakPolarHBondContact O-CG 3.48Å; E238-M242 PolarHBondContact O-N 2.82Å; E238-M242 VanDerWaalsContact O-N 3.08Å
239S78.2Confident87.2Confident48 Ų4851.5 Ų51.534%0.33629%0.293SS..Hα-helixtrans-63.5-38.4177.1-600000112.6S235 L236 Y237 M242 G243S235-S239 PolarHBondContact O-N 2.74Å; S235-S239 PolarHBondContact O-OG 3.09Å; L236-S239 PolarHBondContact O-N 2.9Å; Y237-S239 VanDerWaalsContact C-N 3.29Å; Y237-S239 PolarHBondContact O-N 2.99Å; S239-M242 PolarHBondContact O-N 3.35Å; S239-G243 PolarHBondContact O-N 2.81Å
240L84.3Confident87.3Confident21 Ų2154.9 Ų54.911%0.1131%0.31CS..Hα-helixtrans-70.6-38.3178-70.2162.4000112L220 Y229 I231 L236 Y237 E238 G243 G244 Y245L220-L240 HydrophobicContact CD1-CB 3.72Å; L220-L240 HydrophobicContact CD1-CD1 3.61Å; L220-L240 HydrophobicContact CD1-CG 4.33Å; Y229-L240 HydrophobicContact CD1-CD1 3.65Å; Y229-L240 HydrophobicContact CD1-CD2 4.45Å; Y229-L240 HydrophobicContact CE1-CD1 3.56Å; Y229-L240 HydrophobicContact CE1-CD2 4.49Å; I231-L240 HydrophobicContact CD1-CD1 3.84Å; L236-L240 HydrophobicContact CD1-CD1 4.16Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 HydrophobicContact CD1-CG 4.03Å; L236-L240 HydrophobicContact CG-CD1 3.9Å; L236-L240 HydrophobicContact CG-CG 4.3Å; L236-L240 WeakPolarHBondContact O-CB 3.38Å; L236-L240 WeakPolarHBondContact O-CD1 3.4Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 3.15Å; Y237-L240 PolarHBondContact O-N 3.13Å; Y237-L240 VanDerWaalsContact O-N 3.16Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-L240 PolarHBondContact O-N 3.36Å; L240-G243 CarbonylContact O-C 3.58Å; L240-G243 WeakPolarHBondContact O-CA 3.48Å; L240-G243 PolarHBondContact O-N 3.28Å; L240-G244 PolarHBondContact O-N 3.49Å; L240-Y245 HydrophobicContact CB-CD2 4.05Å; L240-Y245 HydrophobicContact CB-CG 4.1Å; L240-Y245 HydrophobicContact CD2-CD2 3.84Å; L240-Y245 HydrophobicContact CD2-CE1 4.42Å; L240-Y245 HydrophobicContact CD2-CE2 3.6Å; L240-Y245 HydrophobicContact CD2-CG 4.36Å; L240-Y245 WeakPolarHBondContact O-CB 3.43Å; L240-Y245 WeakPolarHBondContact O-CD2 3.4Å; L240-Y245 PolarHBondContact O-N 3.17Å
241L87.3Confident87.4Confident55 Ų5555.8 Ų55.829%0.28832%0.315SS..Hα-helixtrans-61.7-45.1173.7-65.8-172.9000111.4L220 Y237 E238 G243 G244 Y245 D247L220-L241 HydrophobicContact CD2-CD2 3.91Å; Y237-L241 HydrophobicContact CD1-CD1 4.29Å; Y237-L241 HydrophobicContact CE1-CD1 3.58Å; Y237-L241 HydrophobicContact CE1-CG 4.35Å; Y237-L241 HydrophobicContact CE2-CD1 4.33Å; Y237-L241 WeakPolarHBondContact O-CG 3.39Å; Y237-L241 PolarHBondContact O-N 3.04Å; Y237-L241 VanDerWaalsContact O-N 3.09Å; E238-L241 PolarHBondContact O-N 3.5Å; L241-G243 PolarHBondContact O-N 3.05Å; L241-G244 PolarHBondContact O-N 2.74Å; L241-Y245 WeakPolarHBondContact CD2-O 3.44Å; L241-D247 HydrophobicContact CD2-CB 4.21Å
242M84.3Confident87.7Confident150 Ų15055.8 Ų55.874%0.73932%0.316SS*.Hα-helixtrans-61.4-30.3172.3-70.5-171.2-69.400112.5E238 S239 G244E238-M242 WeakPolarHBondContact O-CG 3.48Å; E238-M242 PolarHBondContact O-N 2.82Å; E238-M242 VanDerWaalsContact O-N 3.08Å; S239-M242 PolarHBondContact O-N 3.35Å; M242-G244 PolarHBondContact O-N 2.93Å
243G86.6Confident88.2Confident60 Ų6057.8 Ų57.862%0.61932%0.323SS*.THydrogen-bonded Turntrans-75.7-0.917400000115.2S239 L240 L241S239-G243 PolarHBondContact O-N 2.81Å; L240-G243 CarbonylContact O-C 3.58Å; L240-G243 WeakPolarHBondContact O-CA 3.48Å; L240-G243 PolarHBondContact O-N 3.28Å; L241-G243 PolarHBondContact O-N 3.05Å
244G90.2Very high88.9Confident50 Ų5056.6 Ų56.652%0.51532%0.317SS..THydrogen-bonded Turntrans91.114.9177.800000115.1L240 L241 M242L240-G244 PolarHBondContact O-N 3.49Å; L241-G244 PolarHBondContact O-N 2.74Å; M242-G244 PolarHBondContact O-N 2.93Å
245Y94.3Very high89.4Confident33 Ų3353.3 Ų53.313%0.12929%0.294CS..PPolyproline II helixtrans-71.6144164.8-76.2-112.8000110.2L220 Y221 L240 L241 H277L220-Y245 HydrophobicContact CB-CD1 3.86Å; L220-Y245 HydrophobicContact CB-CG 4.48Å; Y221-Y245 CarbonylContact O-C 3.55Å; Y221-Y245 WeakPolarHBondContact O-CA 3.48Å; L240-Y245 HydrophobicContact CB-CD2 4.05Å; L240-Y245 HydrophobicContact CB-CG 4.1Å; L240-Y245 HydrophobicContact CD2-CD2 3.84Å; L240-Y245 HydrophobicContact CD2-CE1 4.42Å; L240-Y245 HydrophobicContact CD2-CE2 3.6Å; L240-Y245 HydrophobicContact CD2-CG 4.36Å; L240-Y245 WeakPolarHBondContact O-CB 3.43Å; L240-Y245 WeakPolarHBondContact O-CD2 3.4Å; L240-Y245 PolarHBondContact O-N 3.17Å; L241-Y245 WeakPolarHBondContact CD2-O 3.44Å; Y245-H277 PolarHBondContact OH-NE2 2.94Å
246E96.9Very high89.8Confident88 Ų8854.6 Ų54.641%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-97.6130.7174.9-62.2173-179.700109.6L220 Y221 R248L220-E246 CarbonylContact C-O 3.49Å; L220-E246 WeakPolarHBondContact CA-O 3.25Å; Y221-E246 PolarHBondContact N-O 2.79Å; Y221-E246 PolarHBondContact O-N 3.49Å; E246-R248 PolarHBondContact O-N 2.98Å; E246-R248 IonicContact OE2-CZ 3.4Å; E246-R248 IonicContact OE2-NE 2.89Å; E246-R248 IonicContact OE2-NH2 3.71Å; E246-R248 PolarHBondContact OE2-NH2 2.79Å
247D97.1Very high89.6Confident70 Ų7052.5 Ų52.537%0.37429%0.293SS..EExtended strand (participates in β ladder)trans-75.3121.3171-172.812.2000110.9L220 Y237 L241 G249L220-D247 HydrophobicContact CD2-CB 3.93Å; Y237-D247 PolarHBondContact OH-OD2 2.85Å; L241-D247 HydrophobicContact CD2-CB 4.21Å; D247-G249 WeakPolarHBondContact OD1-CA 3.28Å; D247-G249 PolarHBondContact OD1-N 2.7Å
248R96.9Very high89.7Confident142 Ų14256.7 Ų56.754%0.53631%0.313SS..EExtended strand (participates in β ladder)trans-100.31.9176.5-59.3-63.5-176.8152.4-5.8112.4H219 E246H219-R248 HydrophobicContact CB-CB 4.25Å; H219-R248 WeakPolarHBondContact O-CA 3.39Å; H219-R248 VanDerWaalsContact O-CB 3.31Å; H219-R248 WeakPolarHBondContact O-CB 3.3Å; H219-R248 PolarHBondContact O-N 2.93Å; E246-R248 PolarHBondContact O-N 2.98Å; E246-R248 IonicContact OE2-CZ 3.4Å; E246-R248 IonicContact OE2-NE 2.89Å; E246-R248 IonicContact OE2-NH2 3.71Å; E246-R248 PolarHBondContact OE2-NH2 2.79Å
249G96.6Very high89.8Confident27 Ų2756.4 Ų56.428%0.27832%0.316SS..EExtended strand (participates in β ladder)trans106.6-167.6173.100000113.6H219 D247H219-G249 PolarHBondContact N-O 2.81Å; D247-G249 WeakPolarHBondContact OD1-CA 3.28Å; D247-G249 PolarHBondContact OD1-N 2.7Å
250I97.8Very high90Very high80 Ų8055.5 Ų55.541%0.4131%0.308SS..EExtended strand (participates in β ladder)trans-104.1123.4-174.3-63.6169000109.5A216 I217 G252 Y253A216-I250 HydrophobicContact CB-CD1 3.8Å; A216-I250 HydrophobicContact CB-CG1 4.05Å; A216-I250 HydrophobicContact CB-CG2 3.99Å; I217-I250 WeakPolarHBondContact O-CA 3.34Å; I250-G252 VanDerWaalsContact C-N 3.34Å; I250-G252 VanDerWaalsContact CG2-O 3.28Å; I250-G252 WeakPolarHBondContact CG2-O 3.48Å; I250-Y253 HydrophobicContact CG2-CD2 4.45Å; I250-Y253 HydrophobicContact CG2-CE2 3.92Å
251I97.6Very high90.2Very high22 Ų2254.6 Ų54.611%0.11330%0.303CS..EExtended strand (participates in β ladder)trans-89.91176.166.9160.7000112.7L165 L178 S180 I217 H219 Y230L165-I251 HydrophobicContact CD1-CD1 3.91Å; L178-I251 HydrophobicContact CB-CD1 3.89Å; S180-I251 WeakPolarHBondContact CB-O 3.39Å; S180-I251 PolarHBondContact OG-O 3.41Å; I217-I251 HydrophobicContact CB-CG1 3.84Å; I217-I251 HydrophobicContact CG2-CD1 3.87Å; I217-I251 HydrophobicContact CG2-CG1 3.64Å; I217-I251 PolarHBondContact O-N 2.99Å; H219-I251 HydrophobicContact CB-CG2 3.93Å; Y230-I251 HydrophobicContact CD1-CD1 3.52Å; Y230-I251 HydrophobicContact CD1-CG1 4.19Å; Y230-I251 HydrophobicContact CD1-CG2 4.49Å; Y230-I251 HydrophobicContact CE1-CD1 3.85Å; Y230-I251 HydrophobicContact CE1-CG2 4.2Å; Y230-I251 HydrophobicContact CG-CD1 4.34Å
252G98Very high90.2Very high4 Ų453.8 Ų53.84%0.04131%0.308CS..EExtended strand (participates in β ladder)trans142.9-168.3179.400000111.4A204 I217 I250A204-G252 CarbonylContact O-C 3.59Å; A204-G252 WeakPolarHBondContact O-CA 3.12Å; I217-G252 PolarHBondContact N-O 3.09Å; I250-G252 VanDerWaalsContact C-N 3.34Å; I250-G252 VanDerWaalsContact CG2-O 3.28Å; I250-G252 WeakPolarHBondContact CG2-O 3.48Å
253Y98Very high90.4Very high48 Ų4846.6 Ų46.619%0.18827%0.273CS..EExtended strand (participates in β ladder)trans-130.2136-175.4-61.8-105.6000110.7A204 G206 L207 V215 A216 I250A204-Y253 PolarHBondContact N-O 3.02Å; A204-Y253 PolarHBondContact O-N 3.39Å; G206-Y253 VanDerWaalsContact CA-CD2 3.45Å; L207-Y253 HydrophobicContact CD2-CD1 3.7Å; L207-Y253 HydrophobicContact CD2-CE1 3.7Å; L207-Y253 HydrophobicContact CG-CD1 4.45Å; L207-Y253 HydrophobicContact CG-CE1 4.09Å; V215-Y253 CarbonylContact O-C 3.59Å; V215-Y253 WeakPolarHBondContact O-CA 3.23Å; A216-Y253 HydrophobicContact CB-CD1 4.07Å; A216-Y253 HydrophobicContact CB-CE1 3.78Å; I250-Y253 HydrophobicContact CG2-CD2 4.45Å; I250-Y253 HydrophobicContact CG2-CE2 3.92Å
254A95.8Very high90.5Very high0 Ų046.9 Ų46.90%026%0.262CS..EExtended strand (participates in β ladder)trans-132.2-170-178.400000110L214 V215 I217 F304 W305L214-A254 WeakPolarHBondContact CA-O 3.38Å; V215-A254 WeakPolarHBondContact CG2-O 3.33Å; V215-A254 PolarHBondContact N-O 2.85Å; V215-A254 PolarHBondContact O-N 3.03Å; I217-A254 HydrophobicContact CD1-CB 3.67Å; I217-A254 HydrophobicContact CG1-CB 3.87Å; A254-F304 HydrophobicContact CB-CB 4.11Å; A254-F304 HydrophobicContact CB-CD2 3.65Å; A254-F304 HydrophobicContact CB-CE2 4.34Å; A254-F304 HydrophobicContact CB-CG 4.05Å; A254-W305 WeakPolarHBondContact CB-O 3.46Å
255V87.5Confident90.6Very high0 Ų045.7 Ų45.70%025%0.245CC..BIsolated β-bridgetrans-127.2150.6175.4-59.70000109.7Q213 L214 G257 V260 A263 W305 W307Q213-V255 HydrophobicContact CB-CG1 4.44Å; L214-V255 HydrophobicContact CD2-CG1 4.38Å; V255-G257 WeakPolarHBondContact CG2-O 3.42Å; V255-V260 HydrophobicContact CB-CB 4.01Å; V255-V260 HydrophobicContact CB-CG1 3.9Å; V255-V260 HydrophobicContact CG1-CB 4.4Å; V255-V260 HydrophobicContact CG1-CG1 3.88Å; V255-V260 HydrophobicContact CG2-CB 3.89Å; V255-V260 HydrophobicContact CG2-CG1 4.28Å; V255-A263 HydrophobicContact CG2-CB 3.37Å; V255-W305 HydrophobicContact CG2-CB 3.94Å; V255-W305 PolarHBondContact N-O 3.37Å; V255-W305 PolarHBondContact O-N 3.49Å; V255-W307 HydrophobicContact CG1-CH2 4.08Å; V255-W307 HydrophobicContact CG1-CZ2 4.24Å
256K80.6Confident90.4Very high42 Ų4244.6 Ų44.618%0.18324%0.242CC..SBendtrans-80.1-17.9-178.2-67.1-165.9-176.3-1760113.9Q38 D42 V215 V232 D233 W305Q38-K256 HydrophobicContact CG-CD 3.91Å; D42-K256 IonicContact OD1-NZ 2.84Å; D42-K256 PolarHBondContact OD1-NZ 3.29Å; D42-K256 IonicContact OD2-NZ 3.92Å; D42-K256 PolarHBondContact OD2-NZ 3.05Å; V215-K256 HydrophobicContact CG2-CG 4.03Å; V232-K256 HydrophobicContact CG2-CG 3.96Å; V232-K256 WeakPolarHBondContact O-CE 3.47Å; D233-K256 IonicContact OD2-NZ 3.59Å; D233-K256 PolarHBondContact OD2-NZ 2.7Å; K256-W305 VanDerWaalsContact C-CD1 3.5Å; K256-W305 PolarHBondContact O-NE1 3.2Å
257G74.3Confident90.2Very high25 Ų2540.4 Ų40.426%0.25822%0.222SC..SBendtrans-119.6150.3-172.700000114.5V255 V260 W305V255-G257 WeakPolarHBondContact CG2-O 3.42Å; G257-V260 WeakPolarHBondContact O-CB 3.3Å; G257-V260 PolarHBondContact O-N 3Å; G257-W305 VanDerWaalsContact C-CD1 3.42Å
258E81.9Confident89.8Confident117 Ų11739.7 Ų39.755%0.54722%0.215SC..THydrogen-bonded Turntrans-62.3140.8171.6-167.8174.2-17200111.2V260 W305E258-V260 PolarHBondContact O-N 3.3Å; E258-W305 HydrophobicContact CB-CD2 3.93Å; E258-W305 HydrophobicContact CB-CE3 3.91Å; E258-W305 HydrophobicContact CB-CH2 3.56Å; E258-W305 HydrophobicContact CB-CZ2 3.58Å; E258-W305 HydrophobicContact CB-CZ3 3.73Å; E258-W305 VanDerWaalsContact CD-CH2 3.41Å; E258-W305 HydrophobicContact CG-CD2 4.37Å; E258-W305 HydrophobicContact CG-CE3 3.83Å; E258-W305 HydrophobicContact CG-CH2 3.48Å; E258-W305 VanDerWaalsContact CG-CH2 3.48Å; E258-W305 HydrophobicContact CG-CZ2 4.07Å; E258-W305 HydrophobicContact CG-CZ3 3.35Å
259N82.7Confident89.4Confident103 Ų10333.9 Ų33.955%0.55119%0.194SC*.THydrogen-bonded Turntrans63.4-2.7-179.7-57.8-54.8000115.7C261 G262 A263N259-C261 PolarHBondContact O-N 3.17Å; N259-G262 PolarHBondContact O-N 2.81Å; N259-G262 VanDerWaalsContact O-N 3.11Å; N259-A263 VanDerWaalsContact CA-O 3.24Å; N259-A263 WeakPolarHBondContact CA-O 3.42Å; N259-A263 PolarHBondContact N-O 2.96Å
260V82.1Confident88.9Confident29 Ų2932.6 Ų32.618%0.17618%0.181CC..G310 helixtrans-61.7124.2172.2178.90000108.6C155 Q213 V255 G257 E258 G262 A263C155-V260 HydrophobicContact CB-CG1 4.45Å; Q213-V260 HydrophobicContact CB-CG1 3.47Å; Q213-V260 VanDerWaalsContact CB-CG1 3.47Å; Q213-V260 HydrophobicContact CG-CG1 3.67Å; V255-V260 HydrophobicContact CB-CB 4.01Å; V255-V260 HydrophobicContact CB-CG1 3.9Å; V255-V260 HydrophobicContact CG1-CB 4.4Å; V255-V260 HydrophobicContact CG1-CG1 3.88Å; V255-V260 HydrophobicContact CG2-CB 3.89Å; V255-V260 HydrophobicContact CG2-CG1 4.28Å; G257-V260 WeakPolarHBondContact O-CB 3.3Å; G257-V260 PolarHBondContact O-N 3Å; E258-V260 PolarHBondContact O-N 3.3Å; V260-G262 PolarHBondContact O-N 2.79Å; V260-A263 WeakPolarHBondContact O-CB 3.3Å; V260-A263 PolarHBondContact O-N 3.25Å
261C88.2Confident88.5Confident2 Ų231.5 Ų31.51%0.01417%0.172CC..G310 helixtrans5029.6-175.1-50.50000114.1C155 T158 C211 N259 A263 W307C155-C261 PolarHBondContact O-SG 2.84Å; T158-C261 VanDerWaalsContact CA-O 3.24Å; T158-C261 WeakPolarHBondContact CA-O 3.22Å; T158-C261 PolarHBondContact N-O 2.77Å; T158-C261 PolarHBondContact OG1-O 2.84Å; C211-C261 WeakPolarHBondContact CA-SG 3.35Å; C211-C261 HydrophobicContact CB-CB 3.68Å; C211-C261 WeakPolarHBondContact CB-SG 3.41Å; C211-C261 WeakPolarHBondContact SG-CB 3.34Å; C211-C261 CovalentContact SG-SG 2.01Å; C211-C261 PolarHBondContact SG-SG 2.75Å; N259-C261 PolarHBondContact O-N 3.17Å; C261-A263 VanDerWaalsContact C-N 3.33Å; C261-A263 PolarHBondContact O-N 3.03Å; C261-W307 HydrophobicContact CB-CZ2 4.05Å; C261-W307 PolarHBondContact O-NE1 3.32Å
262G87.6Confident88Confident37 Ų3733.6 Ų33.638%0.38118%0.178SC..G310 helixtrans7413.8-178.200000115.8N259 V260N259-G262 PolarHBondContact O-N 2.81Å; N259-G262 VanDerWaalsContact O-N 3.11Å; V260-G262 PolarHBondContact O-N 2.79Å
263A88.5Confident87.4Confident0 Ų039.2 Ų39.20%021%0.212CC..  trans-73.2129.9172.100000110.6V255 N259 V260 C261 W305 W307V255-A263 HydrophobicContact CG2-CB 3.37Å; N259-A263 VanDerWaalsContact CA-O 3.24Å; N259-A263 WeakPolarHBondContact CA-O 3.42Å; N259-A263 PolarHBondContact N-O 2.96Å; V260-A263 WeakPolarHBondContact O-CB 3.3Å; V260-A263 PolarHBondContact O-N 3.25Å; C261-A263 VanDerWaalsContact C-N 3.33Å; C261-A263 PolarHBondContact O-N 3.03Å; A263-W305 HydrophobicContact CB-CB 4.07Å; A263-W307 HydrophobicContact CB-CD2 4.34Å; A263-W307 HydrophobicContact CB-CZ2 4.22Å
264T88.4Confident86.8Confident66 Ų6641.5 Ų41.541%0.40524%0.235SC..  trans-133.7-5.4-172.154.40000113.7P266 M306T264-P266 WeakPolarHBondContact O-CD 3.4Å; T264-M306 PolarHBondContact N-O 2.81Å; T264-M306 VanDerWaalsContact N-O 3.07Å
265V91.5Very high86.3Confident24 Ų2442.6 Ų42.615%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-105.9110.6-177.2-1740000108.9Q281 W305 M306V265-Q281 HydrophobicContact CG1-CB 3.94Å; V265-W305 WeakPolarHBondContact O-CA 3.48Å; V265-M306 HydrophobicContact CB-CE 4.23Å; V265-M306 HydrophobicContact CB-CG 3.89Å; V265-M306 HydrophobicContact CG1-CE 3.53Å; V265-M306 HydrophobicContact CG1-CG 4.21Å; V265-M306 PolarHBondContact N-O 2.91Å; V265-M306 WeakPolarHBondContact O-CG 3.39Å; V265-M306 PolarHBondContact O-N 2.88Å
266P91.1Very high86.4Confident11 Ų1142.7 Ų42.77%0.07124%0.241CC..EExtended strand (participates in β ladder)trans-79.2143.3176.430.8-31.8000110.6T264 Y268 Q281 A282 V302 W305T264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-Y268 HydrophobicContact CB-CD1 4.47Å; P266-Y268 HydrophobicContact CB-CE1 4Å; P266-Y268 HydrophobicContact CG-CE1 3.93Å; P266-Q281 VanDerWaalsContact O-CA 3.29Å; P266-Q281 WeakPolarHBondContact O-CA 3.39Å; P266-A282 HydrophobicContact CG-CB 3.78Å; P266-A282 PolarHBondContact O-N 3.46Å; P266-V302 HydrophobicContact CB-CG1 3.77Å; P266-V302 HydrophobicContact CB-CG2 4.04Å; P266-W305 HydrophobicContact CB-CD2 4.02Å; P266-W305 HydrophobicContact CB-CE3 3.81Å; P266-W305 HydrophobicContact CB-CH2 3.78Å; P266-W305 HydrophobicContact CB-CZ2 3.97Å; P266-W305 HydrophobicContact CB-CZ3 3.69Å; P266-W305 HydrophobicContact CG-CE3 4.29Å; P266-W305 HydrophobicContact CG-CH2 4Å; P266-W305 HydrophobicContact CG-CZ3 3.79Å
267V92.6Very high86.9Confident0 Ų041.6 Ų41.60%024%0.237CC..EExtended strand (participates in β ladder)trans-100.5113.7164.7177.40000108.2Q279 L280 V302 T303 F304 M306V267-Q279 HydrophobicContact CG1-CB 4Å; V267-L280 CarbonylContact C-O 3.53Å; V267-V302 CarbonylContact O-C 3.47Å; V267-V302 WeakPolarHBondContact O-CA 3.33Å; V267-T303 PolarHBondContact O-N 2.97Å; V267-F304 HydrophobicContact CB-CD2 4.24Å; V267-F304 HydrophobicContact CB-CE1 4.32Å; V267-F304 HydrophobicContact CB-CE2 3.99Å; V267-F304 HydrophobicContact CB-CZ 4.02Å; V267-F304 HydrophobicContact CG1-CE1 4.26Å; V267-F304 HydrophobicContact CG1-CZ 4.12Å; V267-F304 HydrophobicContact CG2-CD2 3.97Å; V267-F304 HydrophobicContact CG2-CE2 3.42Å; V267-F304 VanDerWaalsContact CG2-CE2 3.42Å; V267-F304 HydrophobicContact CG2-CZ 3.73Å; V267-F304 PolarHBondContact N-O 2.8Å; V267-M306 HydrophobicContact CG2-CE 3.66Å; V267-M306 HydrophobicContact CG2-CG 4.39Å; V267-M306 HydrophobicContact CG2-SD 3.87Å
268Y87.9Confident87.8Confident55 Ų5540.9 Ų40.922%0.21623%0.227CC..EExtended strand (participates in β ladder)trans-80.2148176.5-59.9-41.7000111.3P266 Q279 L280 A282 A286 F290 G301 V302P266-Y268 HydrophobicContact CB-CD1 4.47Å; P266-Y268 HydrophobicContact CB-CE1 4Å; P266-Y268 HydrophobicContact CG-CE1 3.93Å; Y268-Q279 VanDerWaalsContact O-CA 3.25Å; Y268-Q279 WeakPolarHBondContact O-CA 3.5Å; Y268-L280 PolarHBondContact N-O 2.78Å; Y268-L280 PolarHBondContact O-N 2.95Å; Y268-L280 VanDerWaalsContact O-N 3.11Å; Y268-A282 HydrophobicContact CE2-CB 3.66Å; Y268-A286 HydrophobicContact CD2-CB 3.83Å; Y268-A286 HydrophobicContact CE2-CB 4.21Å; Y268-F290 HydrophobicContact CD2-CE2 4.09Å; Y268-F290 HydrophobicContact CD2-CZ 4.37Å; Y268-F290 HydrophobicContact CE2-CE2 4.1Å; Y268-G301 WeakPolarHBondContact CA-O 3.17Å; Y268-V302 HydrophobicContact CD1-CG2 3.79Å; Y268-V302 HydrophobicContact CE1-CG2 3.81Å
269E88.4Confident88.3Confident19 Ų1935.3 Ų35.39%0.08920%0.201CC..EExtended strand (participates in β ladder)trans-107.6133168.6-175.6175162.700110.9Y229 H277 Q279 R300 G301Y229-E269 WeakPolarHBondContact CE2-OE1 3.2Å; Y229-E269 VanDerWaalsContact CE2-OE2 3.3Å; Y229-E269 WeakPolarHBondContact CE2-OE2 3.28Å; Y229-E269 VanDerWaalsContact OH-CD 3.27Å; Y229-E269 PolarHBondContact OH-OE1 2.82Å; Y229-E269 PolarHBondContact OH-OE2 3.34Å; E269-H277 IonicContact OE1-CE1 3.76Å; E269-H277 IonicContact OE1-CG 3.82Å; E269-H277 IonicContact OE1-ND1 2.7Å; E269-H277 PolarHBondContact OE1-ND1 2.89Å; E269-Q279 HydrophobicContact CB-CG 4.36Å; E269-Q279 HydrophobicContact CG-CG 4.25Å; E269-R300 HydrophobicContact CB-CB 3.99Å; E269-R300 HydrophobicContact CG-CB 3.88Å; E269-R300 HydrophobicContact CG-CG 4.34Å; E269-R300 PolarHBondContact O-N 3.44Å; E269-G301 PolarHBondContact N-O 3.23Å
270F87.5Confident88.7Confident1 Ų130.5 Ų30.50%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-122.3146.1170.1-60.2-88.7000109.5M278 L280 V289 F290 W297 D298 W299F270-M278 HydrophobicContact CB-CB 4.4Å; F270-M278 HydrophobicContact CB-CE 3.93Å; F270-M278 HydrophobicContact CD2-CE 4.27Å; F270-M278 HydrophobicContact CG-CE 4.22Å; F270-M278 PolarHBondContact N-O 2.49Å; F270-M278 PolarHBondContact O-N 2.63Å; F270-L280 HydrophobicContact CD2-CD2 3.54Å; F270-L280 HydrophobicContact CD2-CG 4.48Å; F270-L280 HydrophobicContact CE2-CD2 3.61Å; F270-L280 HydrophobicContact CE2-CG 4.1Å; F270-V289 HydrophobicContact CB-CG1 4.44Å; F270-V289 HydrophobicContact CD1-CG1 3.48Å; F270-V289 VanDerWaalsContact CD1-CG1 3.48Å; F270-V289 HydrophobicContact CD2-CG1 4.2Å; F270-V289 HydrophobicContact CE1-CB 4.22Å; F270-V289 HydrophobicContact CE1-CG1 3.58Å; F270-V289 HydrophobicContact CE2-CB 4.47Å; F270-V289 HydrophobicContact CE2-CG1 4.3Å; F270-V289 HydrophobicContact CG-CG1 3.79Å; F270-V289 HydrophobicContact CZ-CB 4.19Å; F270-V289 HydrophobicContact CZ-CG1 4Å; F270-F290 AromaticContact CE1-CD1 3.84Å; F270-F290 HydrophobicContact CE1-CD1 3.84Å; F270-F290 AromaticContact CE1-CE1 3.5Å; F270-F290 HydrophobicContact CE1-CE1 3.5Å; F270-F290 HydrophobicContact CE1-CE2 4.27Å; F270-F290 HydrophobicContact CE1-CG 4.35Å; F270-F290 AromaticContact CE1-CZ 3.73Å; F270-F290 HydrophobicContact CE1-CZ 3.73Å; F270-F290 HydrophobicContact CZ-CD1 4.27Å; F270-F290 HydrophobicContact CZ-CD2 4.21Å; F270-F290 AromaticContact CZ-CE1 3.83Å; F270-F290 HydrophobicContact CZ-CE1 3.83Å; F270-F290 AromaticContact CZ-CE2 3.75Å; F270-F290 HydrophobicContact CZ-CE2 3.75Å; F270-F290 HydrophobicContact CZ-CG 4.44Å; F270-F290 AromaticContact CZ-CZ 3.54Å; F270-F290 HydrophobicContact CZ-CZ 3.54Å; F270-W297 HydrophobicContact CB-CB 4.2Å; F270-W297 HydrophobicContact CB-CD2 4.34Å; F270-W297 HydrophobicContact CB-CE3 3.77Å; F270-W297 HydrophobicContact CB-CZ3 4.48Å; F270-W297 HydrophobicContact CD1-CB 4.32Å; F270-D298 CarbonylContact C-O 3.57Å; F270-D298 VanDerWaalsContact CA-O 3.27Å; F270-D298 WeakPolarHBondContact CA-O 3.4Å; F270-W299 HydrophobicContact CD1-CB 4.41Å; F270-W299 HydrophobicContact CE1-CB 4.39Å
271Y87.3Confident89.3Confident57 Ų5729.9 Ų29.922%0.22417%0.17CC..EExtended strand (participates in β ladder)trans-128.8140.7179.1-176-92.5000111.8A276 H277 W297 D298Y271-A276 CarbonylContact C-O 3.58Å; Y271-A276 WeakPolarHBondContact CA-O 2.94Å; Y271-A276 HydrophobicContact CE2-CB 4.08Å; Y271-H277 AromaticContact CD2-CE1 3.88Å; Y271-H277 AromaticContact CD2-ND1 3.93Å; Y271-W297 VanDerWaalsContact C-CE3 3.47Å; Y271-D298 PolarHBondContact N-O 3.39Å; Y271-D298 PolarHBondContact O-N 3.43Å
272R87.2Confident89.2Confident66 Ų6631.8 Ų31.825%0.24919%0.186CC..EExtended strand (participates in β ladder)trans-146127.9169.8-175.9171.681.9-173.110.2110S274 I275 A276 Y294 A296 W297R272-S274 PolarHBondContact NE-OG 2.79Å; R272-S274 VanDerWaalsContact NE-OG 3.17Å; R272-S274 PolarHBondContact O-N 3.14Å; R272-I275 PolarHBondContact O-N 2.76Å; R272-A276 PolarHBondContact N-O 3.49Å; R272-A276 WeakPolarHBondContact O-CA 3.48Å; R272-A276 PolarHBondContact O-N 2.8Å; R272-Y294 PolarHBondContact NH1-O 2.88Å; R272-A296 WeakPolarHBondContact CD-O 3.3Å; R272-W297 HydrophobicContact CB-CD2 3.82Å; R272-W297 HydrophobicContact CB-CE3 3.56Å; R272-W297 HydrophobicContact CB-CH2 4.21Å; R272-W297 HydrophobicContact CB-CZ2 4.42Å; R272-W297 HydrophobicContact CB-CZ3 3.77Å
273T85.9Confident89.1Confident121 Ų12131.2 Ų31.274%0.74218%0.18SC*.THydrogen-bonded Turntrans-50.6-32.7-173.7-48.50000115.1
274S85.2Confident89.2Confident96 Ų9635.4 Ų35.467%0.67121%0.207SC*.THydrogen-bonded Turntrans-82.4-15-179.557.60000115.7R272R272-S274 PolarHBondContact NE-OG 2.79Å; R272-S274 VanDerWaalsContact NE-OG 3.17Å; R272-S274 PolarHBondContact O-N 3.14Å
275I86.5Confident89.2Confident24 Ų2433.1 Ų33.112%0.12319%0.192CC..THydrogen-bonded Turntrans-124.6-22-178.8-65-168.9000112.2W169 S174 R272 W297W169-I275 HydrophobicContact CH2-CD1 4.29Å; W169-I275 HydrophobicContact CH2-CG2 4.07Å; S174-I275 WeakPolarHBondContact O-CG2 3.37Å; R272-I275 PolarHBondContact O-N 2.76Å; I275-W297 HydrophobicContact CB-CH2 3.81Å; I275-W297 HydrophobicContact CB-CZ2 4.35Å; I275-W297 HydrophobicContact CD1-CH2 4.27Å; I275-W297 HydrophobicContact CD1-CZ2 3.98Å; I275-W297 HydrophobicContact CG2-CH2 3.59Å; I275-W297 HydrophobicContact CG2-CZ2 4.3Å
276A89.8Confident89.1Confident2 Ų232 Ų322%0.01719%0.186CC..EExtended strand (participates in β ladder)trans68.6-120.7-166.500000113.8I225 Y271 R272 W297I225-A276 HydrophobicContact CD1-CB 3.48Å; I225-A276 VanDerWaalsContact CD1-CB 3.48Å; Y271-A276 CarbonylContact C-O 3.58Å; Y271-A276 WeakPolarHBondContact CA-O 2.94Å; Y271-A276 HydrophobicContact CE2-CB 4.08Å; R272-A276 PolarHBondContact N-O 3.49Å; R272-A276 WeakPolarHBondContact O-CA 3.48Å; R272-A276 PolarHBondContact O-N 2.8Å; A276-W297 WeakPolarHBondContact O-CZ3 3.04Å
277H90.9Very high89Confident19 Ų1935 Ų359%0.08820%0.204CC..EExtended strand (participates in β ladder)trans-94.2137.7-163.7-54.3-96.6000111.8Y229 Y245 E269 Y271Y229-H277 AromaticContact CD1-CE1 3.89Å; Y229-H277 AromaticContact CD1-NE2 4Å; Y229-H277 HydrophobicContact CD2-CB 3.8Å; Y229-H277 AromaticContact CD2-CG 3.63Å; Y229-H277 AromaticContact CD2-ND1 3.66Å; Y229-H277 AromaticContact CE1-CE1 3.74Å; Y229-H277 HydrophobicContact CE2-CB 4.32Å; Y229-H277 AromaticContact CE2-CG 3.98Å; Y229-H277 AromaticContact CE2-ND1 3.53Å; Y229-H277 HydrophobicContact CG-CB 4.34Å; Y229-H277 AromaticContact CG-CD2 3.95Å; Y229-H277 AromaticContact CG-CG 3.86Å; Y229-H277 AromaticContact CG-ND1 3.99Å; Y229-H277 AromaticContact CZ-CE1 3.88Å; Y229-H277 AromaticContact CZ-ND1 3.72Å; Y245-H277 PolarHBondContact OH-NE2 2.94Å; E269-H277 IonicContact OE1-CE1 3.76Å; E269-H277 IonicContact OE1-CG 3.82Å; E269-H277 IonicContact OE1-ND1 2.7Å; E269-H277 PolarHBondContact OE1-ND1 2.89Å; Y271-H277 AromaticContact CD2-CE1 3.88Å; Y271-H277 AromaticContact CD2-ND1 3.93Å
278M91.6Very high88.9Confident9 Ų936.7 Ų36.74%0.04421%0.213CC..EExtended strand (participates in β ladder)trans-131.1121.8169.8177.2178.554.100108.9F270 L280 V289 W297F270-M278 HydrophobicContact CB-CB 4.4Å; F270-M278 HydrophobicContact CB-CE 3.93Å; F270-M278 HydrophobicContact CD2-CE 4.27Å; F270-M278 HydrophobicContact CG-CE 4.22Å; F270-M278 PolarHBondContact N-O 2.49Å; F270-M278 PolarHBondContact O-N 2.63Å; M278-L280 HydrophobicContact CE-CD2 4.24Å; M278-L280 HydrophobicContact CG-CD2 3.69Å; M278-L280 HydrophobicContact SD-CD2 4.1Å; M278-V289 HydrophobicContact CE-CB 4.22Å; M278-V289 HydrophobicContact CE-CG1 3.68Å; M278-V289 HydrophobicContact CE-CG2 3.41Å; M278-V289 VanDerWaalsContact CE-CG2 3.41Å; M278-V289 HydrophobicContact SD-CG2 4.2Å; M278-W297 HydrophobicContact CB-CE3 4.24Å; M278-W297 HydrophobicContact CB-CH2 3.65Å; M278-W297 HydrophobicContact CB-CZ2 4.46Å; M278-W297 HydrophobicContact CB-CZ3 3.53Å; M278-W297 HydrophobicContact CE-CD2 3.59Å; M278-W297 HydrophobicContact CE-CE3 3.82Å; M278-W297 HydrophobicContact CE-CG 4.1Å; M278-W297 HydrophobicContact CE-CH2 3.98Å; M278-W297 HydrophobicContact CE-CZ2 3.77Å; M278-W297 HydrophobicContact CE-CZ3 4.01Å; M278-W297 HydrophobicContact SD-CH2 4.27Å; M278-W297 HydrophobicContact SD-CZ2 4.16Å
279Q93.3Very high88.9Confident1 Ų134.4 Ų34.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-120.9126.1-176.2-65.2174.4-5700110.5N176 L178 Y229 Y230 V267 Y268 E269 T303N176-Q279 PolarHBondContact ND2-N 3.43Å; N176-Q279 VanDerWaalsContact ND2-N 3.17Å; N176-Q279 PolarHBondContact ND2-O 3.42Å; N176-Q279 PolarHBondContact OD1-O 3.24Å; L178-Q279 HydrophobicContact CD1-CB 4.12Å; Y229-Q279 VanDerWaalsContact CE2-NE2 3.34Å; Y230-Q279 VanDerWaalsContact CB-OE1 3.3Å; Y230-Q279 PolarHBondContact O-NE2 2.83Å; Y230-Q279 PolarHBondContact O-OE1 2.93Å; V267-Q279 HydrophobicContact CG1-CB 4Å; Y268-Q279 VanDerWaalsContact O-CA 3.25Å; Y268-Q279 WeakPolarHBondContact O-CA 3.5Å; E269-Q279 HydrophobicContact CB-CG 4.36Å; E269-Q279 HydrophobicContact CG-CG 4.25Å; Q279-T303 PolarHBondContact NE2-OG1 3.36Å
280L92.2Very high88.8Confident1 Ų138.6 Ų38.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-152.2152.5-177.959.4151.5000112.6V267 Y268 F270 M278 D285 A286V267-L280 CarbonylContact C-O 3.53Å; Y268-L280 PolarHBondContact N-O 2.78Å; Y268-L280 PolarHBondContact O-N 2.95Å; Y268-L280 VanDerWaalsContact O-N 3.11Å; F270-L280 HydrophobicContact CD2-CD2 3.54Å; F270-L280 HydrophobicContact CD2-CG 4.48Å; F270-L280 HydrophobicContact CE2-CD2 3.61Å; F270-L280 HydrophobicContact CE2-CG 4.1Å; M278-L280 HydrophobicContact CE-CD2 4.24Å; M278-L280 HydrophobicContact CG-CD2 3.69Å; M278-L280 HydrophobicContact SD-CD2 4.1Å; L280-D285 HydrophobicContact CD1-CB 3.53Å; L280-A286 HydrophobicContact CD1-CB 3.68Å; L280-A286 HydrophobicContact CG-CB 4.25Å
281Q93.4Very high88.8Confident17 Ų1744.4 Ų44.48%0.07925%0.254CS..EExtended strand (participates in β ladder)trans-67.2154.517879.7-74.117.200112.3I200 V265 P266 G283 M306I200-Q281 HydrophobicContact CB-CB 4.24Å; I200-Q281 HydrophobicContact CB-CG 4.01Å; I200-Q281 VanDerWaalsContact CG2-CD 3.43Å; I200-Q281 VanDerWaalsContact CG2-NE2 3.33Å; V265-Q281 HydrophobicContact CG1-CB 3.94Å; P266-Q281 VanDerWaalsContact O-CA 3.29Å; P266-Q281 WeakPolarHBondContact O-CA 3.39Å; Q281-G283 PolarHBondContact O-N 2.84Å; Q281-M306 HydrophobicContact CB-CE 3.53Å
282A86.1Confident88.8Confident41 Ų4143.6 Ų43.634%0.33926%0.264SS..SBendtrans-53.8125.6165.400000111P266 Y268P266-A282 HydrophobicContact CG-CB 3.78Å; P266-A282 PolarHBondContact O-N 3.46Å; Y268-A282 HydrophobicContact CE2-CB 3.66Å
283G86.8Confident88.9Confident26 Ų2648.5 Ų48.527%0.26828%0.282SS..SBendtrans161.6-170.3-176.300000112.5Q281 D285 A286 T287Q281-G283 PolarHBondContact O-N 2.84Å; G283-D285 VanDerWaalsContact C-N 3.31Å; G283-D285 PolarHBondContact O-N 3.25Å; G283-A286 PolarHBondContact O-N 2.67Å; G283-T287 PolarHBondContact O-N 2.84Å; G283-T287 PolarHBondContact O-OG1 2.84Å
284P89.3Confident88.9Confident87 Ų8746.8 Ų46.857%0.56526%0.262SS*.Hα-helixtrans-55.4-40.8-175.6-27.735.7000114.3A286 T287 D288P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.43Å; P284-T287 WeakPolarHBondContact O-CB 3.43Å; P284-T287 PolarHBondContact O-N 3.22Å; P284-D288 PolarHBondContact O-N 3.19Å
285D89.4Confident89.1Confident18 Ų1843.8 Ų43.810%0.09625%0.247CC..Hα-helixtrans-63.7-37.1179.4-64.50.3000111R167 H196 R198 L280 G283 D288 V289R167-D285 IonicContact NH1-OD2 2.67Å; R167-D285 PolarHBondContact NH1-OD2 2.64Å; H196-D285 IonicContact CE1-OD1 2.86Å; H196-D285 IonicContact CE1-OD2 3.54Å; H196-D285 IonicContact ND1-OD1 2.91Å; H196-D285 IonicContact ND1-OD2 3.81Å; H196-D285 PolarHBondContact ND1-OD2 3.34Å; R198-D285 IonicContact CZ-OD2 3.38Å; R198-D285 IonicContact NE-OD2 3.43Å; R198-D285 IonicContact NH2-OD1 3.6Å; R198-D285 PolarHBondContact NH2-OD1 2.95Å; R198-D285 IonicContact NH2-OD2 2.67Å; R198-D285 PolarHBondContact NH2-OD2 3.08Å; L280-D285 HydrophobicContact CD1-CB 3.53Å; G283-D285 VanDerWaalsContact C-N 3.31Å; G283-D285 PolarHBondContact O-N 3.25Å; D285-D288 PolarHBondContact O-N 3.41Å; D285-V289 WeakPolarHBondContact O-CG2 2.81Å; D285-V289 PolarHBondContact O-N 2.75Å
286A89.6Confident89.1Confident1 Ų146.9 Ų46.91%0.00828%0.276CS..Hα-helixtrans-71.2-42177.700000111.1Y268 L280 G283 P284 D288 V289 F290Y268-A286 HydrophobicContact CD2-CB 3.83Å; Y268-A286 HydrophobicContact CE2-CB 4.21Å; L280-A286 HydrophobicContact CD1-CB 3.68Å; L280-A286 HydrophobicContact CG-CB 4.25Å; G283-A286 PolarHBondContact O-N 2.67Å; P284-A286 VanDerWaalsContact C-N 3.29Å; P284-A286 PolarHBondContact O-N 3.43Å; A286-D288 VanDerWaalsContact C-N 3.27Å; A286-D288 PolarHBondContact O-N 2.82Å; A286-V289 PolarHBondContact O-N 3.44Å; A286-V289 VanDerWaalsContact O-N 3.16Å; A286-F290 HydrophobicContact CB-CE2 4.37Å; A286-F290 WeakPolarHBondContact O-CD2 3.24Å; A286-F290 PolarHBondContact O-N 3.28Å
287T88.8Confident89Confident74 Ų7448.3 Ų48.345%0.45428%0.281SS..Hα-helixtrans-57.6-41.5173.6-58.50000111.4G283 P284 V289 F290 N291G283-T287 PolarHBondContact O-N 2.84Å; G283-T287 PolarHBondContact O-OG1 2.84Å; P284-T287 WeakPolarHBondContact O-CB 3.43Å; P284-T287 PolarHBondContact O-N 3.22Å; T287-V289 PolarHBondContact O-N 3.4Å; T287-F290 PolarHBondContact O-N 2.67Å; T287-N291 WeakPolarHBondContact O-CB 3.37Å; T287-N291 PolarHBondContact O-N 3.39Å; T287-N291 PolarHBondContact O-ND2 3.4Å
288D90.4Very high88.7Confident35 Ų3551.6 Ų51.619%0.18730%0.299CS..Hα-helixtrans-62.9-39.7176.2-81.2-11.2000112.7P284 D285 A286 N291 G292 R293 Y294P284-D288 PolarHBondContact O-N 3.19Å; D285-D288 PolarHBondContact O-N 3.41Å; A286-D288 VanDerWaalsContact C-N 3.27Å; A286-D288 PolarHBondContact O-N 2.82Å; D288-N291 PolarHBondContact O-N 3.36Å; D288-G292 PolarHBondContact O-N 2.89Å; D288-R293 HydrophobicContact CB-CB 4.04Å; D288-R293 VanDerWaalsContact CG-CD 3.44Å; D288-R293 WeakPolarHBondContact O-CB 3.31Å; D288-R293 PolarHBondContact O-N 3.43Å; D288-R293 IonicContact OD1-NH1 3.61Å; D288-R293 WeakPolarHBondContact OD2-CD 3.44Å; D288-R293 IonicContact OD2-CZ 3.73Å; D288-R293 IonicContact OD2-NE 3.77Å; D288-R293 IonicContact OD2-NH1 3.74Å; D288-R293 PolarHBondContact OD2-NH1 3.26Å; D288-Y294 HydrophobicContact CB-CD2 4.3Å; D288-Y294 HydrophobicContact CB-CE2 3.55Å; D288-Y294 PolarHBondContact OD2-OH 2.82Å
289V88Confident88.2Confident8 Ų858.4 Ų58.45%0.04833%0.325CS..Hα-helixtrans-64.9-47.6174.7178.60000110.7F270 M278 D285 A286 T287 N291 G292 Y294 W297F270-V289 HydrophobicContact CB-CG1 4.44Å; F270-V289 HydrophobicContact CD1-CG1 3.48Å; F270-V289 VanDerWaalsContact CD1-CG1 3.48Å; F270-V289 HydrophobicContact CD2-CG1 4.2Å; F270-V289 HydrophobicContact CE1-CB 4.22Å; F270-V289 HydrophobicContact CE1-CG1 3.58Å; F270-V289 HydrophobicContact CE2-CB 4.47Å; F270-V289 HydrophobicContact CE2-CG1 4.3Å; F270-V289 HydrophobicContact CG-CG1 3.79Å; F270-V289 HydrophobicContact CZ-CB 4.19Å; F270-V289 HydrophobicContact CZ-CG1 4Å; M278-V289 HydrophobicContact CE-CB 4.22Å; M278-V289 HydrophobicContact CE-CG1 3.68Å; M278-V289 HydrophobicContact CE-CG2 3.41Å; M278-V289 VanDerWaalsContact CE-CG2 3.41Å; M278-V289 HydrophobicContact SD-CG2 4.2Å; D285-V289 WeakPolarHBondContact O-CG2 2.81Å; D285-V289 PolarHBondContact O-N 2.75Å; A286-V289 PolarHBondContact O-N 3.44Å; A286-V289 VanDerWaalsContact O-N 3.16Å; T287-V289 PolarHBondContact O-N 3.4Å; V289-N291 PolarHBondContact O-N 2.93Å; V289-G292 PolarHBondContact O-N 3.27Å; V289-Y294 HydrophobicContact CG2-CD2 3.81Å; V289-Y294 HydrophobicContact CG2-CE2 4.37Å; V289-W297 HydrophobicContact CG1-CB 3.88Å; V289-W297 HydrophobicContact CG1-CG 3.97Å
290F84.7Confident87.6Confident107 Ų10765.6 Ų65.647%0.46935%0.352SS..Hα-helixtrans-59.6-34.7176.8-74.1-58.1000112.8Y268 F270 A286 T287 G292 W299Y268-F290 HydrophobicContact CD2-CE2 4.09Å; Y268-F290 HydrophobicContact CD2-CZ 4.37Å; Y268-F290 HydrophobicContact CE2-CE2 4.1Å; F270-F290 AromaticContact CE1-CD1 3.84Å; F270-F290 HydrophobicContact CE1-CD1 3.84Å; F270-F290 AromaticContact CE1-CE1 3.5Å; F270-F290 HydrophobicContact CE1-CE1 3.5Å; F270-F290 HydrophobicContact CE1-CE2 4.27Å; F270-F290 HydrophobicContact CE1-CG 4.35Å; F270-F290 AromaticContact CE1-CZ 3.73Å; F270-F290 HydrophobicContact CE1-CZ 3.73Å; F270-F290 HydrophobicContact CZ-CD1 4.27Å; F270-F290 HydrophobicContact CZ-CD2 4.21Å; F270-F290 AromaticContact CZ-CE1 3.83Å; F270-F290 HydrophobicContact CZ-CE1 3.83Å; F270-F290 AromaticContact CZ-CE2 3.75Å; F270-F290 HydrophobicContact CZ-CE2 3.75Å; F270-F290 HydrophobicContact CZ-CG 4.44Å; F270-F290 AromaticContact CZ-CZ 3.54Å; F270-F290 HydrophobicContact CZ-CZ 3.54Å; A286-F290 HydrophobicContact CB-CE2 4.37Å; A286-F290 WeakPolarHBondContact O-CD2 3.24Å; A286-F290 PolarHBondContact O-N 3.28Å; T287-F290 PolarHBondContact O-N 2.67Å; F290-G292 PolarHBondContact O-N 3.04Å; F290-W299 HydrophobicContact CE1-CB 4.14Å; F290-W299 AromaticContact CE1-CD1 3.65Å; F290-W299 AromaticContact CE1-CG 3.94Å; F290-W299 HydrophobicContact CE1-CG 3.94Å; F290-W299 AromaticContact CZ-CD1 3.71Å; F290-W299 HydrophobicContact CZ-CG 4.42Å
291N89.3Confident87Confident122 Ų12266.1 Ų66.165%0.65236%0.357SS*.THydrogen-bonded Turntrans-80.63.3176.9-68.3-23.9000113.6T287 D288 V289 R293T287-N291 WeakPolarHBondContact O-CB 3.37Å; T287-N291 PolarHBondContact O-N 3.39Å; T287-N291 PolarHBondContact O-ND2 3.4Å; D288-N291 PolarHBondContact O-N 3.36Å; V289-N291 PolarHBondContact O-N 2.93Å; N291-R293 VanDerWaalsContact C-N 3.33Å; N291-R293 PolarHBondContact O-N 2.68Å
292G86.9Confident86.5Confident41 Ų4168.1 Ų68.142%0.42337%0.371SS..THydrogen-bonded Turntrans76.313.7176.300000114.9D288 V289 F290 Y294 G295D288-G292 PolarHBondContact O-N 2.89Å; V289-G292 PolarHBondContact O-N 3.27Å; F290-G292 PolarHBondContact O-N 3.04Å; G292-Y294 PolarHBondContact O-N 3.22Å; G292-Y294 VanDerWaalsContact O-N 3.13Å; G292-G295 PolarHBondContact O-N 3.02Å; G292-G295 VanDerWaalsContact O-N 3.09Å
293R88.6Confident86.5Confident169 Ų16967.1 Ų67.164%0.63836%0.361SS*.THydrogen-bonded Turntrans-56.5-32-179.2-174.5178.8178.1172.5-0.2112.7D288 N291D288-R293 HydrophobicContact CB-CB 4.04Å; D288-R293 VanDerWaalsContact CG-CD 3.44Å; D288-R293 WeakPolarHBondContact O-CB 3.31Å; D288-R293 PolarHBondContact O-N 3.43Å; D288-R293 IonicContact OD1-NH1 3.61Å; D288-R293 WeakPolarHBondContact OD2-CD 3.44Å; D288-R293 IonicContact OD2-CZ 3.73Å; D288-R293 IonicContact OD2-NE 3.77Å; D288-R293 IonicContact OD2-NH1 3.74Å; D288-R293 PolarHBondContact OD2-NH1 3.26Å; N291-R293 VanDerWaalsContact C-N 3.33Å; N291-R293 PolarHBondContact O-N 2.68Å
294Y87.1Confident86.7Confident84 Ų8465.9 Ų65.933%0.32935%0.348SS..THydrogen-bonded Turntrans-108.922.6-177.4-53.4-65.3000113R272 D288 V289 G292 W297R272-Y294 PolarHBondContact NH1-O 2.88Å; D288-Y294 HydrophobicContact CB-CD2 4.3Å; D288-Y294 HydrophobicContact CB-CE2 3.55Å; D288-Y294 PolarHBondContact OD2-OH 2.82Å; V289-Y294 HydrophobicContact CG2-CD2 3.81Å; V289-Y294 HydrophobicContact CG2-CE2 4.37Å; G292-Y294 PolarHBondContact O-N 3.22Å; G292-Y294 VanDerWaalsContact O-N 3.13Å; Y294-W297 PolarHBondContact O-NE1 3.19Å; Y294-W297 VanDerWaalsContact O-NE1 3.15Å
295G87.9Confident86.9Confident33 Ų3363.4 Ų63.434%0.3433%0.327SS..SBendtrans88.7-174.7-174.800000113.3G292 W297G292-G295 PolarHBondContact O-N 3.02Å; G292-G295 VanDerWaalsContact O-N 3.09Å; G295-W297 PolarHBondContact O-N 3.43Å
296A88.3Confident87.2Confident90 Ų9062.5 Ų62.574%0.74432%0.322SS*.  trans-77.2121.7178.900000110.9R272R272-A296 WeakPolarHBondContact CD-O 3.3Å
297W86.8Confident87.5Confident31 Ų3162.7 Ų62.712%0.11732%0.323CS..  trans-125.8136.2175.9-74.887.2000109.3F270 Y271 R272 I275 A276 M278 V289 Y294 G295F270-W297 HydrophobicContact CB-CB 4.2Å; F270-W297 HydrophobicContact CB-CD2 4.34Å; F270-W297 HydrophobicContact CB-CE3 3.77Å; F270-W297 HydrophobicContact CB-CZ3 4.48Å; F270-W297 HydrophobicContact CD1-CB 4.32Å; Y271-W297 VanDerWaalsContact C-CE3 3.47Å; R272-W297 HydrophobicContact CB-CD2 3.82Å; R272-W297 HydrophobicContact CB-CE3 3.56Å; R272-W297 HydrophobicContact CB-CH2 4.21Å; R272-W297 HydrophobicContact CB-CZ2 4.42Å; R272-W297 HydrophobicContact CB-CZ3 3.77Å; I275-W297 HydrophobicContact CB-CH2 3.81Å; I275-W297 HydrophobicContact CB-CZ2 4.35Å; I275-W297 HydrophobicContact CD1-CH2 4.27Å; I275-W297 HydrophobicContact CD1-CZ2 3.98Å; I275-W297 HydrophobicContact CG2-CH2 3.59Å; I275-W297 HydrophobicContact CG2-CZ2 4.3Å; A276-W297 WeakPolarHBondContact O-CZ3 3.04Å; M278-W297 HydrophobicContact CB-CE3 4.24Å; M278-W297 HydrophobicContact CB-CH2 3.65Å; M278-W297 HydrophobicContact CB-CZ2 4.46Å; M278-W297 HydrophobicContact CB-CZ3 3.53Å; M278-W297 HydrophobicContact CE-CD2 3.59Å; M278-W297 HydrophobicContact CE-CE3 3.82Å; M278-W297 HydrophobicContact CE-CG 4.1Å; M278-W297 HydrophobicContact CE-CH2 3.98Å; M278-W297 HydrophobicContact CE-CZ2 3.77Å; M278-W297 HydrophobicContact CE-CZ3 4.01Å; M278-W297 HydrophobicContact SD-CH2 4.27Å; M278-W297 HydrophobicContact SD-CZ2 4.16Å; V289-W297 HydrophobicContact CG1-CB 3.88Å; V289-W297 HydrophobicContact CG1-CG 3.97Å; Y294-W297 PolarHBondContact O-NE1 3.19Å; Y294-W297 VanDerWaalsContact O-NE1 3.15Å; G295-W297 PolarHBondContact O-N 3.43Å
298D83.7Confident87.7Confident89 Ų8961.4 Ų61.448%0.47632%0.317SS..EExtended strand (participates in β ladder)trans-79.1120.4173.6-61.8-36.2000108.9F270 Y271 R300F270-D298 CarbonylContact C-O 3.57Å; F270-D298 VanDerWaalsContact CA-O 3.27Å; F270-D298 WeakPolarHBondContact CA-O 3.4Å; Y271-D298 PolarHBondContact N-O 3.39Å; Y271-D298 PolarHBondContact O-N 3.43Å; D298-R300 PolarHBondContact O-N 2.96Å
299W81Confident87.4Confident152 Ų15265.2 Ų65.258%0.57633%0.332SS*.EExtended strand (participates in β ladder)trans-72126.6170173.272.3000110F270 F290F270-W299 HydrophobicContact CD1-CB 4.41Å; F270-W299 HydrophobicContact CE1-CB 4.39Å; F290-W299 HydrophobicContact CE1-CB 4.14Å; F290-W299 AromaticContact CE1-CD1 3.65Å; F290-W299 AromaticContact CE1-CG 3.94Å; F290-W299 HydrophobicContact CE1-CG 3.94Å; F290-W299 AromaticContact CZ-CD1 3.71Å; F290-W299 HydrophobicContact CZ-CG 4.42Å
300R80.8Confident86Confident151 Ų15171.7 Ų71.757%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-109.7-4.9-176.8-64.9-62.6-168.7151.62.4114.1E269 D298E269-R300 HydrophobicContact CB-CB 3.99Å; E269-R300 HydrophobicContact CG-CB 3.88Å; E269-R300 HydrophobicContact CG-CG 4.34Å; E269-R300 PolarHBondContact O-N 3.44Å; D298-R300 PolarHBondContact O-N 2.96Å
301G80.4Confident86Confident12 Ų1270 Ų7012%0.12437%0.373CS..EExtended strand (participates in β ladder)trans116.8-155.5177.700000113.5Y268 E269Y268-G301 WeakPolarHBondContact CA-O 3.17Å; E269-G301 PolarHBondContact N-O 3.23Å
302V83.1Confident85.8Confident59 Ų5967.2 Ų67.236%0.35836%0.359SS..EExtended strand (participates in β ladder)trans-103.5123173.5179.70000107.7P266 V267 Y268 F304 W305P266-V302 HydrophobicContact CB-CG1 3.77Å; P266-V302 HydrophobicContact CB-CG2 4.04Å; V267-V302 CarbonylContact O-C 3.47Å; V267-V302 WeakPolarHBondContact O-CA 3.33Å; Y268-V302 HydrophobicContact CD1-CG2 3.79Å; Y268-V302 HydrophobicContact CE1-CG2 3.81Å; V302-F304 WeakPolarHBondContact CG1-O 3.23Å; V302-W305 HydrophobicContact CG1-CZ2 4.43Å; V302-W305 HydrophobicContact CG2-CZ2 4.42Å
303T86.5Confident85.8Confident21 Ų2168.7 Ų68.713%0.12936%0.355CS..EExtended strand (participates in β ladder)trans-71.9-50.3175.9-41.10000110.9Y230 V232 V267 Q279Y230-T303 VanDerWaalsContact O-CG2 3.31Å; Y230-T303 WeakPolarHBondContact O-CG2 3.39Å; V232-T303 WeakPolarHBondContact CG2-O 3.24Å; V267-T303 PolarHBondContact O-N 2.97Å; Q279-T303 PolarHBondContact NE2-OG1 3.36Å
304F89.9Confident85.6Confident0 Ų062.8 Ų62.80%034%0.338CS..EExtended strand (participates in β ladder)trans-160.9168.5-179.258.8-97.8000110.8L165 L178 I217 V232 A254 V267 V302 M306L165-F304 HydrophobicContact CD2-CE2 4.27Å; L165-F304 HydrophobicContact CD2-CZ 4.22Å; L178-F304 HydrophobicContact CD1-CE1 4.46Å; L178-F304 HydrophobicContact CD1-CZ 4.16Å; I217-F304 HydrophobicContact CD1-CD2 4.39Å; I217-F304 HydrophobicContact CD1-CE1 4.4Å; I217-F304 HydrophobicContact CD1-CE2 4Å; I217-F304 HydrophobicContact CD1-CZ 4.01Å; I217-F304 HydrophobicContact CG1-CD1 4.48Å; I217-F304 HydrophobicContact CG1-CE1 4.4Å; I217-F304 HydrophobicContact CG1-CZ 4.5Å; I217-F304 HydrophobicContact CG2-CE1 4.06Å; I217-F304 HydrophobicContact CG2-CZ 4.47Å; V232-F304 HydrophobicContact CB-CB 4.5Å; V232-F304 HydrophobicContact CG1-CB 3.81Å; V232-F304 HydrophobicContact CG1-CD1 3.89Å; V232-F304 HydrophobicContact CG1-CG 4.07Å; V232-F304 HydrophobicContact CG2-CB 3.87Å; A254-F304 HydrophobicContact CB-CB 4.11Å; A254-F304 HydrophobicContact CB-CD2 3.65Å; A254-F304 HydrophobicContact CB-CE2 4.34Å; A254-F304 HydrophobicContact CB-CG 4.05Å; V267-F304 HydrophobicContact CB-CD2 4.24Å; V267-F304 HydrophobicContact CB-CE1 4.32Å; V267-F304 HydrophobicContact CB-CE2 3.99Å; V267-F304 HydrophobicContact CB-CZ 4.02Å; V267-F304 HydrophobicContact CG1-CE1 4.26Å; V267-F304 HydrophobicContact CG1-CZ 4.12Å; V267-F304 HydrophobicContact CG2-CD2 3.97Å; V267-F304 HydrophobicContact CG2-CE2 3.42Å; V267-F304 VanDerWaalsContact CG2-CE2 3.42Å; V267-F304 HydrophobicContact CG2-CZ 3.73Å; V267-F304 PolarHBondContact N-O 2.8Å; V302-F304 WeakPolarHBondContact CG1-O 3.23Å; F304-M306 HydrophobicContact CD2-CB 4.48Å; F304-M306 HydrophobicContact CE2-CB 4.4Å; F304-M306 HydrophobicContact CE2-SD 4.46Å
305W93.1Very high85.5Confident34 Ų3461.4 Ų61.413%0.12934%0.339CS..EExtended strand (participates in β ladder)trans-112.7141.3175.7-63.677000110.4A254 V255 K256 G257 E258 A263 V265 P266 V302A254-W305 WeakPolarHBondContact CB-O 3.46Å; V255-W305 HydrophobicContact CG2-CB 3.94Å; V255-W305 PolarHBondContact N-O 3.37Å; V255-W305 PolarHBondContact O-N 3.49Å; K256-W305 VanDerWaalsContact C-CD1 3.5Å; K256-W305 PolarHBondContact O-NE1 3.2Å; G257-W305 VanDerWaalsContact C-CD1 3.42Å; E258-W305 HydrophobicContact CB-CD2 3.93Å; E258-W305 HydrophobicContact CB-CE3 3.91Å; E258-W305 HydrophobicContact CB-CH2 3.56Å; E258-W305 HydrophobicContact CB-CZ2 3.58Å; E258-W305 HydrophobicContact CB-CZ3 3.73Å; E258-W305 VanDerWaalsContact CD-CH2 3.41Å; E258-W305 HydrophobicContact CG-CD2 4.37Å; E258-W305 HydrophobicContact CG-CE3 3.83Å; E258-W305 HydrophobicContact CG-CH2 3.48Å; E258-W305 VanDerWaalsContact CG-CH2 3.48Å; E258-W305 HydrophobicContact CG-CZ2 4.07Å; E258-W305 HydrophobicContact CG-CZ3 3.35Å; A263-W305 HydrophobicContact CB-CB 4.07Å; V265-W305 WeakPolarHBondContact O-CA 3.48Å; P266-W305 HydrophobicContact CB-CD2 4.02Å; P266-W305 HydrophobicContact CB-CE3 3.81Å; P266-W305 HydrophobicContact CB-CH2 3.78Å; P266-W305 HydrophobicContact CB-CZ2 3.97Å; P266-W305 HydrophobicContact CB-CZ3 3.69Å; P266-W305 HydrophobicContact CG-CE3 4.29Å; P266-W305 HydrophobicContact CG-CH2 4Å; P266-W305 HydrophobicContact CG-CZ3 3.79Å; V302-W305 HydrophobicContact CG1-CZ2 4.43Å; V302-W305 HydrophobicContact CG2-CZ2 4.42Å
306M95.7Very high85.4Confident0 Ų063.3 Ų63.30%034%0.339CS..EExtended strand (participates in β ladder)trans-133.6175.1-177.569.7178.1170.300110.8L165 I200 R202 V203 T264 V265 V267 Q281 F304L165-M306 HydrophobicContact CD2-SD 3.76Å; I200-M306 HydrophobicContact CB-CE 4.18Å; I200-M306 HydrophobicContact CD1-CE 3.96Å; I200-M306 HydrophobicContact CD1-SD 4.45Å; I200-M306 HydrophobicContact CG1-CE 3.89Å; I200-M306 HydrophobicContact CG1-SD 4.35Å; I200-M306 WeakPolarHBondContact O-CE 2.93Å; R202-M306 WeakPolarHBondContact O-CB 3.23Å; V203-M306 HydrophobicContact CG1-CB 4.21Å; T264-M306 PolarHBondContact N-O 2.81Å; T264-M306 VanDerWaalsContact N-O 3.07Å; V265-M306 HydrophobicContact CB-CE 4.23Å; V265-M306 HydrophobicContact CB-CG 3.89Å; V265-M306 HydrophobicContact CG1-CE 3.53Å; V265-M306 HydrophobicContact CG1-CG 4.21Å; V265-M306 PolarHBondContact N-O 2.91Å; V265-M306 WeakPolarHBondContact O-CG 3.39Å; V265-M306 PolarHBondContact O-N 2.88Å; V267-M306 HydrophobicContact CG2-CE 3.66Å; V267-M306 HydrophobicContact CG2-CG 4.39Å; V267-M306 HydrophobicContact CG2-SD 3.87Å; Q281-M306 HydrophobicContact CB-CE 3.53Å; F304-M306 HydrophobicContact CD2-CB 4.48Å; F304-M306 HydrophobicContact CE2-CB 4.4Å; F304-M306 HydrophobicContact CE2-SD 4.46Å
307W96.7Very high85.2Confident5 Ų561.4 Ų61.42%0.01931%0.31CS..BIsolated β-bridgetrans-91.2148.6-178.9-62.2-89.9000110.9T158 P159 L162 G201 R202 L214 V255 C261 A263T158-W307 HydrophobicContact CG2-CG 4.4Å; P159-W307 HydrophobicContact CG-CH2 3.73Å; P159-W307 HydrophobicContact CG-CZ2 3.58Å; P159-W307 HydrophobicContact CG-CZ3 4.42Å; L162-W307 HydrophobicContact CD1-CB 3.95Å; L162-W307 HydrophobicContact CD1-CD2 4.18Å; L162-W307 HydrophobicContact CD1-CG 3.89Å; L162-W307 HydrophobicContact CD2-CD2 3.71Å; L162-W307 HydrophobicContact CD2-CE3 3.35Å; L162-W307 HydrophobicContact CD2-CG 4.28Å; L162-W307 HydrophobicContact CD2-CZ3 3.81Å; G201-W307 CarbonylContact C-O 3.39Å; G201-W307 WeakPolarHBondContact CA-O 3.39Å; R202-W307 HydrophobicContact CB-CB 4.29Å; R202-W307 PolarHBondContact N-O 3.12Å; R202-W307 PolarHBondContact O-N 2.69Å; L214-W307 HydrophobicContact CD2-CH2 3.61Å; L214-W307 HydrophobicContact CD2-CZ3 4.34Å; V255-W307 HydrophobicContact CG1-CH2 4.08Å; V255-W307 HydrophobicContact CG1-CZ2 4.24Å; C261-W307 HydrophobicContact CB-CZ2 4.05Å; C261-W307 PolarHBondContact O-NE1 3.32Å; A263-W307 HydrophobicContact CB-CD2 4.34Å; A263-W307 HydrophobicContact CB-CZ2 4.22Å
308S93.6Very high85Confident47 Ų4763.8 Ų63.833%0.32933%0.325SS..  trans-61.2153.2171.2650000110.6R202 S310R202-S308 PolarHBondContact NE-O 2.84Å; R202-S308 PolarHBondContact NH2-O 2.97Å; S308-S310 VanDerWaalsContact C-N 3.33Å
309F83.2Confident85.1Confident114 Ų11461.7 Ų61.750%0.531%0.312SS..  trans-90.614.1178.658.1-98.4000114.2R202R202-F309 HydrophobicContact CG-CB 4.33Å
310S57.7Low85.5Confident145 Ų14553.5 Ų53.5100%1.01429%0.288SS*.  trans-45.40-175.361.30000113.7S308S308-S310 VanDerWaalsContact C-N 3.33Å

Retrieved 310 of 310 residues in 1138.6 ms (Link to these results)

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