A0A087WTN6_HUMAN Loading...

ArfGAP with dual PH domains 1

AlphaFold DB , UniProt , Accession A0A087WTN6, Species HUMAN (Homo sapiens, Human), Gene ADAP1, Length 279 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
1M40.9Very low73.8Confident116 Ų11680.7 Ų80.757%0.57141%0.412SS*.  0-44.70-138.3167.364.700112.7L3 A92 E161 W179M1-L3 PolarHBondContact O-N 3.44Å; M1-A92 HydrophobicContact CG-CB 3.63Å; M1-E161 HydrophobicContact CE-CB 4.4Å; M1-W179 HydrophobicContact CE-CH2 4.15Å; M1-W179 HydrophobicContact CE-CZ2 4.27Å; M1-W179 HydrophobicContact SD-CH2 4.06Å
2V48.4Very low75.8Confident100 Ų10075.1 Ų75.161%0.60638%0.383SS*.Hα-helixtrans-67.2-28179.5179.40000114.2A4 S5 L6V2-A4 PolarHBondContact O-N 3.22Å; V2-S5 PolarHBondContact O-OG 3.49Å; V2-L6 HydrophobicContact CG1-CD1 3.63Å; V2-L6 HydrophobicContact CG1-CG 4.09Å; V2-L6 VanDerWaalsContact O-CG 3.27Å; V2-L6 WeakPolarHBondContact O-CG 3.38Å; V2-L6 PolarHBondContact O-N 2.53Å
3L51.7Low77.6Confident133 Ų13379.7 Ų79.770%0.69639%0.393SS*.Hα-helixtrans-66.2-40.3-172.1-67.5169.7000114.4M1 L6 E7M1-L3 PolarHBondContact O-N 3.44Å; L3-L6 PolarHBondContact O-N 3.12Å; L3-E7 PolarHBondContact O-N 2.89Å; L3-E7 VanDerWaalsContact O-N 3.1Å
4A57.6Low79Confident40 Ų4080.8 Ų80.833%0.33140%0.399SS..Hα-helixtrans-73.1-36.1-176.800000113V2 L6 E7 P91V2-A4 PolarHBondContact O-N 3.22Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 2.78Å; A4-E7 PolarHBondContact O-N 2.95Å; A4-P91 HydrophobicContact CB-CB 4.3Å; A4-P91 HydrophobicContact CB-CG 3.71Å
5S63.2Low80.3Confident20 Ų2081.4 Ų81.414%0.1440%0.395CS..Hα-helixtrans-67.1-33.9173.248.80000111.7V2 E7 L9 P91V2-S5 PolarHBondContact O-OG 3.49Å; S5-E7 VanDerWaalsContact C-N 3.32Å; S5-L9 WeakPolarHBondContact O-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.4Å; S5-P91 VanDerWaalsContact N-CG 3.32Å
6L75.6Confident81.5Confident73 Ų7376.6 Ų76.638%0.38237%0.373SS..Hα-helixtrans-70.9-27.8176.5-72.3175.2000112.1V2 L3 A4 R10V2-L6 HydrophobicContact CG1-CD1 3.63Å; V2-L6 HydrophobicContact CG1-CG 4.09Å; V2-L6 VanDerWaalsContact O-CG 3.27Å; V2-L6 WeakPolarHBondContact O-CG 3.38Å; V2-L6 PolarHBondContact O-N 2.53Å; L3-L6 PolarHBondContact O-N 3.12Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 2.78Å; L6-R10 WeakPolarHBondContact O-CB 3.41Å; L6-R10 WeakPolarHBondContact O-CG 3.49Å; L6-R10 PolarHBondContact O-N 3.4Å; L6-R10 PolarHBondContact O-NE 2.66Å
7E90.5Very high82.5Confident124 Ų12475.4 Ų75.458%0.57937%0.365SS*.Hα-helixtrans-65.3-57.6178.5-171.3170.9-171.700111.7L3 A4 S5 L9 R10 E11L3-E7 PolarHBondContact O-N 2.89Å; L3-E7 VanDerWaalsContact O-N 3.1Å; A4-E7 PolarHBondContact O-N 2.95Å; S5-E7 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 3.25Å; E7-R10 PolarHBondContact O-N 3.25Å; E7-E11 WeakPolarHBondContact O-CB 3.29Å; E7-E11 PolarHBondContact O-N 2.77Å
8L95.2Very high83.4Confident7 Ų779.9 Ų79.94%0.03738%0.379CS..Hα-helixtrans-54.6-49.5177.417364.8000112.3R10 E11 Q12 F89 H98 I123 V124L8-R10 PolarHBondContact O-N 2.8Å; L8-E11 PolarHBondContact O-N 3.36Å; L8-Q12 HydrophobicContact CD1-CG 3.76Å; L8-Q12 WeakPolarHBondContact O-CB 3.22Å; L8-Q12 WeakPolarHBondContact O-CG 3.22Å; L8-Q12 PolarHBondContact O-N 2.89Å; L8-F89 HydrophobicContact CD2-CD1 3.89Å; L8-F89 HydrophobicContact CD2-CE1 3.49Å; L8-F89 VanDerWaalsContact CD2-CE1 3.49Å; L8-F89 HydrophobicContact CD2-CZ 4.07Å; L8-H98 HydrophobicContact CD2-CB 4.46Å; L8-I123 HydrophobicContact CD2-CG2 3.85Å; L8-V124 HydrophobicContact CD1-CG2 4.26Å; L8-V124 HydrophobicContact CD2-CG2 4.18Å; L8-V124 HydrophobicContact CG-CG2 3.99Å
9L95.3Very high84.1Confident58 Ų5881.9 Ų81.930%0.30439%0.388SS..Hα-helixtrans-65.2-40.7-177.8-74.1175.5000112.1S5 E7 W13 F89 V124S5-L9 WeakPolarHBondContact O-CG 3.46Å; S5-L9 PolarHBondContact O-N 3.4Å; E7-L9 PolarHBondContact O-N 3.25Å; L9-W13 WeakPolarHBondContact O-CB 3.24Å; L9-W13 PolarHBondContact O-N 3.49Å; L9-F89 HydrophobicContact CD1-CD2 4.03Å; L9-F89 HydrophobicContact CD2-CD2 3.86Å; L9-F89 HydrophobicContact CD2-CE2 3.62Å; L9-F89 HydrophobicContact CD2-CZ 4.47Å; L9-F89 HydrophobicContact CG-CD2 4.05Å; L9-F89 HydrophobicContact CG-CE2 4.28Å; L9-V124 HydrophobicContact CD2-CG2 4.25Å
10R96.4Very high84.9Confident141 Ų14179.9 Ų79.953%0.53238%0.377SS..Hα-helixtrans-67.7-45.1177.3-75.8178.6-65.2161.7-0.2111.3L6 E7 L8 W13 I14L6-R10 WeakPolarHBondContact O-CB 3.41Å; L6-R10 WeakPolarHBondContact O-CG 3.49Å; L6-R10 PolarHBondContact O-N 3.4Å; L6-R10 PolarHBondContact O-NE 2.66Å; E7-R10 PolarHBondContact O-N 3.25Å; L8-R10 PolarHBondContact O-N 2.8Å; R10-W13 PolarHBondContact O-N 3.43Å; R10-I14 VanDerWaalsContact O-CG1 3.31Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.09Å
11E97.3Very high85.5Confident76 Ų7679.6 Ų79.636%0.35538%0.375SS..Hα-helixtrans-59.3-54.2177.8-175.2-170.616700110.4E7 L8 W13 I14 R15E7-E11 WeakPolarHBondContact O-CB 3.29Å; E7-E11 PolarHBondContact O-N 2.77Å; L8-E11 PolarHBondContact O-N 3.36Å; E11-W13 VanDerWaalsContact C-N 3.27Å; E11-W13 PolarHBondContact O-N 2.81Å; E11-I14 PolarHBondContact O-N 2.96Å; E11-I14 VanDerWaalsContact O-N 3.1Å; E11-R15 HydrophobicContact CG-CG 4.42Å; E11-R15 WeakPolarHBondContact O-CG 3.32Å; E11-R15 PolarHBondContact O-N 2.94Å; E11-R15 IonicContact OE1-CZ 2.87Å; E11-R15 VanDerWaalsContact OE1-CZ 3.26Å; E11-R15 IonicContact OE1-NE 2.85Å; E11-R15 PolarHBondContact OE1-NE 2.78Å; E11-R15 IonicContact OE1-NH2 2.89Å; E11-R15 PolarHBondContact OE1-NH2 2.93Å
12Q98.2Very high88.2Confident13 Ų1374.4 Ų74.46%0.06135%0.349CS..Hα-helixtrans-66.6-29-177.2-68.4-58.8-2800112.8L8 A16 R20 V124L8-Q12 HydrophobicContact CD1-CG 3.76Å; L8-Q12 WeakPolarHBondContact O-CB 3.22Å; L8-Q12 WeakPolarHBondContact O-CG 3.22Å; L8-Q12 PolarHBondContact O-N 2.89Å; Q12-A16 WeakPolarHBondContact O-CB 3.48Å; Q12-A16 PolarHBondContact O-N 3.27Å; Q12-R20 PolarHBondContact O-NH2 3.06Å; Q12-V124 HydrophobicContact CB-CB 4.31Å; Q12-V124 HydrophobicContact CB-CG1 4.21Å; Q12-V124 HydrophobicContact CB-CG2 4Å; Q12-V124 HydrophobicContact CG-CB 4.45Å; Q12-V124 HydrophobicContact CG-CG2 3.94Å
13W98Very high90.6Very high135 Ų13574.2 Ų74.251%0.51134%0.341SS..Hα-helixtrans-65-44.2170.6175.4-120.8000112.8L9 R10 E11 K17 F23L9-W13 WeakPolarHBondContact O-CB 3.24Å; L9-W13 PolarHBondContact O-N 3.49Å; R10-W13 PolarHBondContact O-N 3.43Å; E11-W13 VanDerWaalsContact C-N 3.27Å; E11-W13 PolarHBondContact O-N 2.81Å; W13-K17 HydrophobicContact CD2-CD 4.33Å; W13-K17 HydrophobicContact CD2-CG 4.43Å; W13-K17 VanDerWaalsContact CE2-CE 3.48Å; W13-K17 HydrophobicContact CH2-CD 4.19Å; W13-K17 HydrophobicContact CH2-CG 4.36Å; W13-K17 HydrophobicContact CZ2-CD 3.62Å; W13-K17 HydrophobicContact CZ2-CG 4.21Å; W13-K17 VanDerWaalsContact NE1-CE 3.29Å; W13-K17 WeakPolarHBondContact O-CG 3.3Å; W13-K17 PolarHBondContact O-N 2.89Å; W13-F23 HydrophobicContact CE3-CE2 4.11Å; W13-F23 HydrophobicContact CE3-CZ 4.02Å; W13-F23 HydrophobicContact CH2-CE2 4.11Å; W13-F23 HydrophobicContact CH2-CZ 4.1Å; W13-F23 HydrophobicContact CZ3-CE1 4.14Å; W13-F23 AromaticContact CZ3-CE2 3.58Å; W13-F23 HydrophobicContact CZ3-CE2 3.58Å; W13-F23 AromaticContact CZ3-CZ 3.33Å; W13-F23 HydrophobicContact CZ3-CZ 3.33Å
14I98.4Very high92.8Very high95 Ų9572.9 Ų72.949%0.48733%0.333SS..Hα-helixtrans-63.6-48.5176.7-69.6167.5000109.6R10 E11 A16 K17 Y18R10-I14 VanDerWaalsContact O-CG1 3.31Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.09Å; E11-I14 PolarHBondContact O-N 2.96Å; E11-I14 VanDerWaalsContact O-N 3.1Å; I14-A16 PolarHBondContact O-N 2.77Å; I14-K17 PolarHBondContact O-N 2.97Å; I14-Y18 HydrophobicContact CG2-CD2 3.88Å; I14-Y18 HydrophobicContact CG2-CE2 4.4Å; I14-Y18 WeakPolarHBondContact O-CD2 3.38Å; I14-Y18 PolarHBondContact O-N 3.4Å
15R98.6Very high94.7Very high90 Ų9075.6 Ų75.634%0.3434%0.336SS..Iπ-helixtrans-61.6-42.7178.4-64.8-177.8176.8-93.27.4112.3E11 K17 E19 R20E11-R15 HydrophobicContact CG-CG 4.42Å; E11-R15 WeakPolarHBondContact O-CG 3.32Å; E11-R15 PolarHBondContact O-N 2.94Å; E11-R15 IonicContact OE1-CZ 2.87Å; E11-R15 VanDerWaalsContact OE1-CZ 3.26Å; E11-R15 IonicContact OE1-NE 2.85Å; E11-R15 PolarHBondContact OE1-NE 2.78Å; E11-R15 IonicContact OE1-NH2 2.89Å; E11-R15 PolarHBondContact OE1-NH2 2.93Å; R15-K17 VanDerWaalsContact C-N 3.3Å; R15-K17 PolarHBondContact O-N 3.46Å; R15-E19 HydrophobicContact CB-CB 4.3Å; R15-E19 VanDerWaalsContact CB-OE2 3.31Å; R15-E19 WeakPolarHBondContact CB-OE2 3.37Å; R15-E19 VanDerWaalsContact CD-OE2 3.29Å; R15-E19 WeakPolarHBondContact CD-OE2 3.37Å; R15-E19 WeakPolarHBondContact CG-OE2 3.36Å; R15-E19 IonicContact CZ-OE2 3.95Å; R15-E19 IonicContact NE-OE2 3.37Å; R15-E19 IonicContact NH1-OE1 3.58Å; R15-E19 PolarHBondContact NH1-OE1 2.83Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 3.45Å; R15-E19 WeakPolarHBondContact O-CA 2.9Å; R15-E19 WeakPolarHBondContact O-CB 3.12Å; R15-E19 PolarHBondContact O-N 3.06Å; R15-R20 PolarHBondContact O-N 2.87Å
16A98.5Very high96.2Very high4 Ų478.5 Ų78.53%0.03335%0.354CS..Iπ-helixtrans-55.5-45.1175.500000112Q12 I14 Q21 E22 F23Q12-A16 WeakPolarHBondContact O-CB 3.48Å; Q12-A16 PolarHBondContact O-N 3.27Å; I14-A16 PolarHBondContact O-N 2.77Å; A16-Q21 CarbonylContact O-C 3.56Å; A16-Q21 WeakPolarHBondContact O-CA 3.2Å; A16-Q21 PolarHBondContact O-N 3.1Å; A16-E22 WeakPolarHBondContact CB-OE2 3.44Å; A16-E22 PolarHBondContact O-N 3.18Å; A16-F23 HydrophobicContact CB-CE2 3.7Å; A16-F23 HydrophobicContact CB-CZ 4.1Å
17K98.4Very high97.3Very high56 Ų5680.7 Ų80.724%0.24336%0.362CS..Iπ-helixtrans-73.1-47.5-178.3-73.9-169.6-66.2168.50114W13 I14 R15 Q21 F23W13-K17 HydrophobicContact CD2-CD 4.33Å; W13-K17 HydrophobicContact CD2-CG 4.43Å; W13-K17 VanDerWaalsContact CE2-CE 3.48Å; W13-K17 HydrophobicContact CH2-CD 4.19Å; W13-K17 HydrophobicContact CH2-CG 4.36Å; W13-K17 HydrophobicContact CZ2-CD 3.62Å; W13-K17 HydrophobicContact CZ2-CG 4.21Å; W13-K17 VanDerWaalsContact NE1-CE 3.29Å; W13-K17 WeakPolarHBondContact O-CG 3.3Å; W13-K17 PolarHBondContact O-N 2.89Å; I14-K17 PolarHBondContact O-N 2.97Å; R15-K17 VanDerWaalsContact C-N 3.3Å; R15-K17 PolarHBondContact O-N 3.46Å; K17-Q21 WeakPolarHBondContact O-CA 3.24Å; K17-F23 HydrophobicContact CB-CD2 4.35Å; K17-F23 HydrophobicContact CB-CE2 4.48Å; K17-F23 HydrophobicContact CG-CD2 3.61Å; K17-F23 HydrophobicContact CG-CE2 3.59Å
18Y98.3Very high97.6Very high157 Ų15778.9 Ų78.962%0.61635%0.352SS*.Iπ-helixtrans-111.1-34-162.9-52.8-65.2000113.7I14I14-Y18 HydrophobicContact CG2-CD2 3.88Å; I14-Y18 HydrophobicContact CG2-CE2 4.4Å; I14-Y18 WeakPolarHBondContact O-CD2 3.38Å; I14-Y18 PolarHBondContact O-N 3.4Å
19E98.4Very high97.7Very high118 Ų11880.9 Ų80.955%0.55136%0.362SS*.Iπ-helixtrans-85.7-50.7178.5179.3-179.3-159.400110.6R15R15-E19 HydrophobicContact CB-CB 4.3Å; R15-E19 VanDerWaalsContact CB-OE2 3.31Å; R15-E19 WeakPolarHBondContact CB-OE2 3.37Å; R15-E19 VanDerWaalsContact CD-OE2 3.29Å; R15-E19 WeakPolarHBondContact CD-OE2 3.37Å; R15-E19 WeakPolarHBondContact CG-OE2 3.36Å; R15-E19 IonicContact CZ-OE2 3.95Å; R15-E19 IonicContact NE-OE2 3.37Å; R15-E19 IonicContact NH1-OE1 3.58Å; R15-E19 PolarHBondContact NH1-OE1 2.83Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 3.45Å; R15-E19 WeakPolarHBondContact O-CA 2.9Å; R15-E19 WeakPolarHBondContact O-CB 3.12Å; R15-E19 PolarHBondContact O-N 3.06Å
20R98.4Very high97.8Very high42 Ų4283.3 Ų83.316%0.15837%0.371CS..SBendtrans-93.5-21.3-175.9-58.3-172.3-59.4-99.53.8113Q12 R15 E22 K28Q12-R20 PolarHBondContact O-NH2 3.06Å; R15-R20 PolarHBondContact O-N 2.87Å; R20-E22 VanDerWaalsContact C-N 3.26Å; R20-E22 HydrophobicContact CB-CG 3.89Å; R20-E22 IonicContact CZ-OE1 2.83Å; R20-E22 IonicContact NE-OE1 3.89Å; R20-E22 PolarHBondContact NE-OE1 2.74Å; R20-E22 IonicContact NH2-OE1 3.74Å; R20-E22 PolarHBondContact NH2-OE1 2.94Å; R20-E22 IonicContact NH2-OE2 2.79Å; R20-E22 PolarHBondContact O-N 2.92Å; R20-K28 WeakPolarHBondContact O-CD 3.41Å; R20-K28 PolarHBondContact O-NZ 2.77Å
21Q98.3Very high97.7Very high73 Ų7379.3 Ų79.334%0.34136%0.363SS..  trans55.139.7178.3-60179-57.600112.8A16 K17 F23 I24 Y25A16-Q21 CarbonylContact O-C 3.56Å; A16-Q21 WeakPolarHBondContact O-CA 3.2Å; A16-Q21 PolarHBondContact O-N 3.1Å; K17-Q21 WeakPolarHBondContact O-CA 3.24Å; Q21-F23 PolarHBondContact O-N 2.8Å; Q21-F23 VanDerWaalsContact O-N 3.14Å; Q21-I24 HydrophobicContact CB-CB 4.22Å; Q21-I24 HydrophobicContact CB-CD1 4.14Å; Q21-I24 HydrophobicContact CB-CG1 4.45Å; Q21-I24 HydrophobicContact CG-CD1 4.19Å; Q21-I24 PolarHBondContact O-N 2.99Å; Q21-Y25 HydrophobicContact CB-CD2 3.78Å; Q21-Y25 HydrophobicContact CB-CE2 3.98Å; Q21-Y25 PolarHBondContact O-N 3.12Å
22E98.4Very high97.7Very high7 Ų777 Ų773%0.03335%0.352CS..THydrogen-bonded Turntrans-61.5-23.7-176-67.6172.3175.700112.6A16 R20 K28 Q29 Y32 K121A16-E22 WeakPolarHBondContact CB-OE2 3.44Å; A16-E22 PolarHBondContact O-N 3.18Å; R20-E22 VanDerWaalsContact C-N 3.26Å; R20-E22 HydrophobicContact CB-CG 3.89Å; R20-E22 IonicContact CZ-OE1 2.83Å; R20-E22 IonicContact NE-OE1 3.89Å; R20-E22 PolarHBondContact NE-OE1 2.74Å; R20-E22 IonicContact NH2-OE1 3.74Å; R20-E22 PolarHBondContact NH2-OE1 2.94Å; R20-E22 IonicContact NH2-OE2 2.79Å; R20-E22 PolarHBondContact O-N 2.92Å; E22-K28 HydrophobicContact CB-CB 4.45Å; E22-K28 HydrophobicContact CG-CB 4.05Å; E22-Q29 WeakPolarHBondContact O-CG 3.42Å; E22-Q29 PolarHBondContact O-NE2 3.48Å; E22-Y32 PolarHBondContact OE2-OH 2.68Å; E22-K121 IonicContact OE1-NZ 3.63Å; E22-K121 PolarHBondContact OE1-NZ 2.88Å
23F97.6Very high97.6Very high97 Ų9778.7 Ų78.743%0.42537%0.365SS..THydrogen-bonded Turntrans-95-2.9178.6-46.7-72.1000113.8W13 A16 K17 Q21W13-F23 HydrophobicContact CE3-CE2 4.11Å; W13-F23 HydrophobicContact CE3-CZ 4.02Å; W13-F23 HydrophobicContact CH2-CE2 4.11Å; W13-F23 HydrophobicContact CH2-CZ 4.1Å; W13-F23 HydrophobicContact CZ3-CE1 4.14Å; W13-F23 AromaticContact CZ3-CE2 3.58Å; W13-F23 HydrophobicContact CZ3-CE2 3.58Å; W13-F23 AromaticContact CZ3-CZ 3.33Å; W13-F23 HydrophobicContact CZ3-CZ 3.33Å; A16-F23 HydrophobicContact CB-CE2 3.7Å; A16-F23 HydrophobicContact CB-CZ 4.1Å; K17-F23 HydrophobicContact CB-CD2 4.35Å; K17-F23 HydrophobicContact CB-CE2 4.48Å; K17-F23 HydrophobicContact CG-CD2 3.61Å; K17-F23 HydrophobicContact CG-CE2 3.59Å; Q21-F23 PolarHBondContact O-N 2.8Å; Q21-F23 VanDerWaalsContact O-N 3.14Å
24I98.1Very high97.5Very high105 Ų10575 Ų7554%0.53836%0.363SS..THydrogen-bonded Turntrans-97.8-35.8169.5-62.6174.5000109.7Q21 P26Q21-I24 HydrophobicContact CB-CB 4.22Å; Q21-I24 HydrophobicContact CB-CD1 4.14Å; Q21-I24 HydrophobicContact CB-CG1 4.45Å; Q21-I24 HydrophobicContact CG-CD1 4.19Å; Q21-I24 PolarHBondContact O-N 2.99Å; I24-P26 WeakPolarHBondContact O-CD 3.34Å
25Y97.8Very high97.4Very high97 Ų9771.3 Ų71.338%0.3835%0.348SS..SBendtrans-116.686.5-177.6-60.8-68.2000109.7Q21 E27 K28Q21-Y25 HydrophobicContact CB-CD2 3.78Å; Q21-Y25 HydrophobicContact CB-CE2 3.98Å; Q21-Y25 PolarHBondContact O-N 3.12Å; Y25-E27 WeakPolarHBondContact CA-OE2 3.39Å; Y25-E27 WeakPolarHBondContact CB-OE1 3.42Å; Y25-E27 PolarHBondContact O-N 3.18Å; Y25-E27 VanDerWaalsContact O-N 3.15Å; Y25-K28 WeakPolarHBondContact O-CB 3.4Å; Y25-K28 PolarHBondContact O-N 2.89Å
26P95.7Very high97.4Very high80 Ų8072.6 Ų72.652%0.51935%0.354SS..G310 helixtrans-59.6-25.3-172.2-24.335.2000114.4I24 K28 Q29I24-P26 WeakPolarHBondContact O-CD 3.34Å; P26-K28 PolarHBondContact O-N 3.1Å; P26-K28 VanDerWaalsContact O-N 3.13Å; P26-Q29 VanDerWaalsContact O-CB 3.24Å; P26-Q29 WeakPolarHBondContact O-CB 2.92Å; P26-Q29 WeakPolarHBondContact O-CG 3.27Å; P26-Q29 PolarHBondContact O-N 3.34Å
27E96.8Very high97.4Very high120 Ų12073.4 Ų73.456%0.56136%0.356SS*.G310 helixtrans-58.8-23.1174.168.1-83.3-16500112.8Y25 Q29 E30Y25-E27 WeakPolarHBondContact CA-OE2 3.39Å; Y25-E27 WeakPolarHBondContact CB-OE1 3.42Å; Y25-E27 PolarHBondContact O-N 3.18Å; Y25-E27 VanDerWaalsContact O-N 3.15Å; E27-Q29 PolarHBondContact O-N 2.99Å; E27-E30 WeakPolarHBondContact O-CB 3.5Å; E27-E30 WeakPolarHBondContact O-CG 3.45Å; E27-E30 PolarHBondContact O-N 3.4Å
28K97.4Very high97.3Very high85 Ų8575 Ų7537%0.3737%0.365SS..G310 helixtrans-75.8-9.8174.6-62.6-177.9175.71680113.2R20 E22 Y25 P26 P31R20-K28 WeakPolarHBondContact O-CD 3.41Å; R20-K28 PolarHBondContact O-NZ 2.77Å; E22-K28 HydrophobicContact CB-CB 4.45Å; E22-K28 HydrophobicContact CG-CB 4.05Å; Y25-K28 WeakPolarHBondContact O-CB 3.4Å; Y25-K28 PolarHBondContact O-N 2.89Å; P26-K28 PolarHBondContact O-N 3.1Å; P26-K28 VanDerWaalsContact O-N 3.13Å; K28-P31 WeakPolarHBondContact O-CD 3.48Å
29Q97.6Very high97.3Very high50 Ų5068.4 Ų68.423%0.23434%0.344CS..G310 helixtrans-86.8-17.7176.9-50-17613.400112.4E22 P26 E27 P31 Y32 S33E22-Q29 WeakPolarHBondContact O-CG 3.42Å; E22-Q29 PolarHBondContact O-NE2 3.48Å; P26-Q29 VanDerWaalsContact O-CB 3.24Å; P26-Q29 WeakPolarHBondContact O-CB 2.92Å; P26-Q29 WeakPolarHBondContact O-CG 3.27Å; P26-Q29 PolarHBondContact O-N 3.34Å; E27-Q29 PolarHBondContact O-N 2.99Å; Q29-P31 WeakPolarHBondContact O-CD 3.5Å; Q29-Y32 HydrophobicContact CB-CE2 3.75Å; Q29-Y32 HydrophobicContact CG-CE2 4.28Å; Q29-Y32 WeakPolarHBondContact CG-OH 3.37Å; Q29-Y32 PolarHBondContact O-N 3.37Å; Q29-S33 PolarHBondContact O-N 2.98Å; Q29-S33 PolarHBondContact O-OG 2.98Å
30E96.6Very high97.3Very high108 Ų10866.9 Ų66.951%0.50534%0.336SS..Hα-helixtrans-42.5-41.8179.1-76.5-63.3120.900114.5E27 Y32 S33 A34E27-E30 WeakPolarHBondContact O-CB 3.5Å; E27-E30 WeakPolarHBondContact O-CG 3.45Å; E27-E30 PolarHBondContact O-N 3.4Å; E30-Y32 PolarHBondContact O-N 3.07Å; E30-S33 WeakPolarHBondContact CA-OG 3.29Å; E30-S33 PolarHBondContact N-OG 2.93Å; E30-S33 PolarHBondContact O-N 2.88Å; E30-A34 VanDerWaalsContact O-CB 3.28Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.27Å
31P96.2Very high97.3Very high57 Ų5765 Ų6537%0.3733%0.329SS..Hα-helixtrans-56.6-22.2178.6-26.536.4000115.2K28 Q29 R37K28-P31 WeakPolarHBondContact O-CD 3.48Å; Q29-P31 WeakPolarHBondContact O-CD 3.5Å; P31-R37 WeakPolarHBondContact O-CD 3.1Å; P31-R37 PolarHBondContact O-NH1 2.73Å
32Y96.2Very high97.3Very high29 Ų2966 Ų6611%0.11433%0.33CS..Hα-helixtrans-1290.5179.257.5-102.4000114.4E22 Q29 E30 D125 N128E22-Y32 PolarHBondContact OE2-OH 2.68Å; Q29-Y32 HydrophobicContact CB-CE2 3.75Å; Q29-Y32 HydrophobicContact CG-CE2 4.28Å; Q29-Y32 WeakPolarHBondContact CG-OH 3.37Å; Q29-Y32 PolarHBondContact O-N 3.37Å; E30-Y32 PolarHBondContact O-N 3.07Å; Y32-D125 WeakPolarHBondContact CB-O 3.43Å; Y32-D125 HydrophobicContact CD1-CB 4.05Å; Y32-N128 HydrophobicContact CD2-CB 4.29Å; Y32-N128 HydrophobicContact CG-CB 4.38Å
33S96Very high97.3Very high48 Ų4866.3 Ų66.334%0.33633%0.331SS..Hα-helixtrans-110.8-14.1177.161.60000114.8Q29 E30 G35Q29-S33 PolarHBondContact O-N 2.98Å; Q29-S33 PolarHBondContact O-OG 2.98Å; E30-S33 WeakPolarHBondContact CA-OG 3.29Å; E30-S33 PolarHBondContact N-OG 2.93Å; E30-S33 PolarHBondContact O-N 2.88Å; S33-G35 PolarHBondContact O-N 3.16Å; S33-G35 VanDerWaalsContact O-N 3.1Å
34A95.8Very high97.3Very high56 Ų5664.5 Ų64.546%0.46332%0.321SS..SBendtrans-72.90.5-173.500000115.7E30 Y36E30-A34 VanDerWaalsContact O-CB 3.28Å; E30-A34 WeakPolarHBondContact O-CB 3.39Å; E30-A34 PolarHBondContact O-N 3.27Å; A34-Y36 PolarHBondContact O-N 3.33Å; A34-Y36 VanDerWaalsContact O-N 3.12Å
35G96Very high97.2Very high18 Ų1860.5 Ų60.519%0.18631%0.306CS..SBendtrans68.84.5-175.900000115.4S33 E60S33-G35 PolarHBondContact O-N 3.16Å; S33-G35 VanDerWaalsContact O-N 3.1Å; G35-E60 VanDerWaalsContact CA-CD 3.41Å; G35-E60 WeakPolarHBondContact CA-OE1 3.27Å; G35-E60 PolarHBondContact O-N 2.83Å
36Y98.4Very high97Very high117 Ų11762.7 Ų62.746%0.45931%0.314SS..EExtended strand (participates in β ladder)trans-139.5130.4171.9-175.8-90.7000109.9A34 E38 V57 L58A34-Y36 PolarHBondContact O-N 3.33Å; A34-Y36 VanDerWaalsContact O-N 3.12Å; Y36-E38 HydrophobicContact CE1-CB 4.12Å; Y36-E38 HydrophobicContact CE1-CG 3.92Å; Y36-E38 PolarHBondContact OH-OE2 3.37Å; Y36-V57 HydrophobicContact CD2-CG1 4.46Å; Y36-V57 HydrophobicContact CE2-CG1 3.6Å; Y36-L58 WeakPolarHBondContact CA-O 3.32Å
37R98.4Very high96.5Very high21 Ų2165.3 Ų65.38%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-142.5133.4171.2-173.9177.4179.282.91.9109.8P31 V57 L58 E122 W126P31-R37 WeakPolarHBondContact O-CD 3.1Å; P31-R37 PolarHBondContact O-NH1 2.73Å; R37-V57 CarbonylContact O-C 3.57Å; R37-V57 WeakPolarHBondContact O-CA 3.36Å; R37-L58 PolarHBondContact N-O 2.91Å; R37-L58 PolarHBondContact O-N 3.09Å; R37-E122 IonicContact CZ-OE2 3.38Å; R37-E122 VanDerWaalsContact NH2-CD 3.32Å; R37-E122 IonicContact NH2-OE1 3.72Å; R37-E122 PolarHBondContact NH2-OE1 3.14Å; R37-E122 IonicContact NH2-OE2 2.64Å; R37-E122 PolarHBondContact NH2-OE2 2.8Å; R37-W126 HydrophobicContact CB-CH2 4.36Å; R37-W126 HydrophobicContact CB-CZ3 4.29Å; R37-W126 HydrophobicContact CG-CD2 4.34Å; R37-W126 HydrophobicContact CG-CE3 4.32Å; R37-W126 HydrophobicContact CG-CH2 4.01Å; R37-W126 HydrophobicContact CG-CZ2 4.03Å; R37-W126 HydrophobicContact CG-CZ3 4.16Å; R37-W126 WeakPolarHBondContact O-CH2 3.28Å
38E97.9Very high96.2Very high90 Ų9063.8 Ų63.842%0.42132%0.319SS..EExtended strand (participates in β ladder)trans-131.1156169.669.3169.7-128.200111.8Y36 K55 F56 V57Y36-E38 HydrophobicContact CE1-CB 4.12Å; Y36-E38 HydrophobicContact CE1-CG 3.92Å; Y36-E38 PolarHBondContact OH-OE2 3.37Å; E38-K55 VanDerWaalsContact CD-CE 3.41Å; E38-K55 VanDerWaalsContact OE1-CE 3.32Å; E38-K55 WeakPolarHBondContact OE1-CE 3.32Å; E38-K55 IonicContact OE1-NZ 2.8Å; E38-K55 PolarHBondContact OE1-NZ 3.11Å; E38-K55 VanDerWaalsContact OE2-CE 3.29Å; E38-K55 WeakPolarHBondContact OE2-CE 3.47Å; E38-K55 IonicContact OE2-NZ 2.95Å; E38-K55 PolarHBondContact OE2-NZ 3.42Å; E38-F56 VanDerWaalsContact CA-O 3.24Å; E38-F56 WeakPolarHBondContact CA-O 3.31Å; E38-V57 HydrophobicContact CB-CG2 3.93Å
39G97.7Very high95.8Very high18 Ų1861 Ų6119%0.18632%0.315CS..EExtended strand (participates in β ladder)trans168173.6-177.800000112.2K55 F56G39-K55 WeakPolarHBondContact O-CA 3.17Å; G39-F56 PolarHBondContact N-O 3.42Å; G39-F56 VanDerWaalsContact N-O 3.09Å; G39-F56 PolarHBondContact O-N 3.03Å
40F98.1Very high95.8Very high87 Ų8764.1 Ų64.138%0.38233%0.329SS..EExtended strand (participates in β ladder)trans-96.3134.2179.4-73.7-86.6000110.7S53 R54 K55 N71 H117F40-S53 WeakPolarHBondContact CD1-OG 3.46Å; F40-R54 WeakPolarHBondContact CA-O 3.43Å; F40-K55 HydrophobicContact CD1-CB 4.28Å; F40-K55 HydrophobicContact CE1-CB 3.81Å; F40-K55 HydrophobicContact CZ-CB 4.06Å; F40-K55 HydrophobicContact CZ-CG 4.49Å; F40-N71 WeakPolarHBondContact CE1-OD1 3.41Å; F40-H117 PolarHBondContact O-CD2 2.86Å
41L98.6Very high95.8Very high2 Ų261 Ų611%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-128.4142.8173.5-67.5170.4000109.4K43 R54 F56 I115 H117 I123 W126L41-K43 PolarHBondContact O-N 3.17Å; L41-R54 PolarHBondContact N-O 3.31Å; L41-R54 PolarHBondContact O-N 2.99Å; L41-F56 HydrophobicContact CB-CD2 3.8Å; L41-F56 HydrophobicContact CB-CE2 3.91Å; L41-F56 HydrophobicContact CD1-CB 4.28Å; L41-F56 HydrophobicContact CD1-CD2 3.89Å; L41-F56 HydrophobicContact CD1-CE2 4.32Å; L41-F56 HydrophobicContact CD1-CG 4Å; L41-F56 HydrophobicContact CG-CD2 4.2Å; L41-I115 HydrophobicContact CB-CG2 4.41Å; L41-I115 HydrophobicContact CD1-CD1 3.81Å; L41-H117 HydrophobicContact CD2-CB 3.87Å; L41-I123 HydrophobicContact CD2-CD1 3.92Å; L41-W126 HydrophobicContact CD1-CD2 4.05Å; L41-W126 HydrophobicContact CD1-CG 4.19Å; L41-W126 HydrophobicContact CD1-CZ2 4.48Å; L41-W126 HydrophobicContact CD2-CG 4.47Å
42W98.6Very high95.8Very high95 Ų9561.3 Ų61.336%0.3631%0.313SS..EExtended strand (participates in β ladder)trans-72.2114.9169.3-73.2106.1000108.5F51 I115 Y116W42-F51 HydrophobicContact CB-CB 4.37Å; W42-F51 HydrophobicContact CB-CD1 4.36Å; W42-F51 HydrophobicContact CE3-CB 4.25Å; W42-I115 CarbonylContact O-C 3.54Å; W42-I115 WeakPolarHBondContact O-CA 3.43Å; W42-Y116 HydrophobicContact CB-CD1 3.72Å; W42-Y116 HydrophobicContact CB-CD2 3.99Å; W42-Y116 HydrophobicContact CB-CE1 3.36Å; W42-Y116 HydrophobicContact CB-CE2 3.65Å; W42-Y116 HydrophobicContact CB-CG 4.02Å; W42-Y116 AromaticContact CD1-CD2 4Å; W42-Y116 AromaticContact CD1-CE2 3.34Å; W42-Y116 AromaticContact CD1-CZ 3.67Å; W42-Y116 HydrophobicContact CG-CD2 4.3Å; W42-Y116 HydrophobicContact CG-CE1 4.04Å; W42-Y116 AromaticContact CG-CE2 3.61Å; W42-Y116 HydrophobicContact CG-CE2 3.61Å; W42-Y116 AromaticContact CG-CZ 3.44Å; W42-Y116 VanDerWaalsContact CG-CZ 3.44Å; W42-Y116 PolarHBondContact N-O 3.14Å; W42-Y116 PolarHBondContact O-N 2.93Å
43K98.4Very high95.9Very high13 Ų1362.3 Ų62.36%0.05732%0.323CS..EExtended strand (participates in β ladder)trans-116.2128.7-175.2-174.5-163.3170.1-65.30111L41 G45 F51 L52 R54 F56 Y67 I113 I115L41-K43 PolarHBondContact O-N 3.17Å; K43-G45 PolarHBondContact O-N 2.82Å; K43-F51 WeakPolarHBondContact O-CA 3.41Å; K43-L52 PolarHBondContact N-O 2.84Å; K43-L52 PolarHBondContact O-N 3.23Å; K43-R54 HydrophobicContact CB-CB 4.29Å; K43-R54 HydrophobicContact CB-CG 3.89Å; K43-R54 HydrophobicContact CD-CG 4.1Å; K43-F56 HydrophobicContact CB-CE2 4.16Å; K43-F56 HydrophobicContact CB-CZ 4.35Å; K43-F56 HydrophobicContact CD-CE2 4.26Å; K43-F56 HydrophobicContact CD-CZ 3.87Å; K43-F56 HydrophobicContact CG-CE2 4.42Å; K43-F56 HydrophobicContact CG-CZ 4.11Å; K43-Y67 HydrophobicContact CD-CD2 4.21Å; K43-Y67 HydrophobicContact CD-CE2 4.14Å; K43-I113 HydrophobicContact CD-CG2 4.41Å; K43-I113 HydrophobicContact CG-CG2 4.14Å; K43-I115 HydrophobicContact CB-CG2 3.84Å; K43-I115 HydrophobicContact CG-CG2 3.81Å
44R97.9Very high96Very high58 Ų5862.9 Ų62.922%0.21932%0.318CS..EExtended strand (participates in β ladder)trans-63.1131.7172-160.9173.9176.369.70.8111G49 Q50 F51 F114R44-G49 VanDerWaalsContact NH1-C 3.35Å; R44-G49 PolarHBondContact NH1-O 3.19Å; R44-Q50 CarbonylContact C-O 3.5Å; R44-Q50 WeakPolarHBondContact CA-O 3.37Å; R44-F51 HydrophobicContact CB-CD1 4.04Å; R44-F51 HydrophobicContact CB-CE1 3.64Å; R44-F51 HydrophobicContact CB-CE2 4.16Å; R44-F51 HydrophobicContact CB-CG 4.45Å; R44-F51 HydrophobicContact CB-CZ 3.7Å; R44-F51 HydrophobicContact CG-CD2 4.47Å; R44-F51 HydrophobicContact CG-CE1 4.43Å; R44-F51 HydrophobicContact CG-CE2 4.05Å; R44-F51 HydrophobicContact CG-CZ 4.01Å; R44-F51 VanDerWaalsContact N-CD1 3.29Å; R44-F114 HydrophobicContact CB-CB 3.92Å; R44-F114 PolarHBondContact N-O 3.09Å
45G95.9Very high96.1Very high22 Ų2262.6 Ų62.623%0.22731%0.307CS..  trans-65.7160.8169.100000111.5K43 N48 Q50K43-G45 PolarHBondContact O-N 2.82Å; G45-N48 WeakPolarHBondContact CA-OD1 3.37Å; G45-Q50 PolarHBondContact N-O 3.2Å
46R92.9Very high96.2Very high142 Ų14261.9 Ų61.954%0.53630%0.298SS..SBendtrans-66-49.4-174.2-176.9-168.8165.6167.73.9112A196R46-A196 HydrophobicContact CG-CB 3.71Å
47D85.8Confident96.2Very high136 Ų13656.9 Ų56.973%0.72728%0.28SS*.SBendtrans-124.5-18.5-167.8-47.2-67.3000112.9
48N89.5Confident96.2Very high88 Ų8856.1 Ų56.147%0.47128%0.277SS..SBendtrans-90.3-8.5-174.869.9-6.1000114.1G45 Q50G45-N48 WeakPolarHBondContact CA-OD1 3.37Å; N48-Q50 PolarHBondContact O-N 3.41Å; N48-Q50 PolarHBondContact OD1-N 3.09Å; N48-Q50 VanDerWaalsContact OD1-N 3.1Å
49G90.1Very high96.2Very high27 Ų2752.3 Ų52.328%0.27826%0.261SS..  trans62.211.2-178.100000116.4R44R44-G49 VanDerWaalsContact NH1-C 3.35Å; R44-G49 PolarHBondContact NH1-O 3.19Å
50Q96Very high96.1Very high114 Ų11454.1 Ų54.153%0.53326%0.264SS..  trans-91.2143.3178.2-68.7179.5-14.700110.9R44 G45 N48R44-Q50 CarbonylContact C-O 3.5Å; R44-Q50 WeakPolarHBondContact CA-O 3.37Å; G45-Q50 PolarHBondContact N-O 3.2Å; N48-Q50 PolarHBondContact O-N 3.41Å; N48-Q50 PolarHBondContact OD1-N 3.09Å; N48-Q50 VanDerWaalsContact OD1-N 3.1Å
51F97.8Very high96Very high44 Ų4461.5 Ų61.519%0.19329%0.289CS..EExtended strand (participates in β ladder)trans-90.3131167.5-74.4-97.4000109.5W42 K43 R44 I94 F114 Y116W42-F51 HydrophobicContact CB-CB 4.37Å; W42-F51 HydrophobicContact CB-CD1 4.36Å; W42-F51 HydrophobicContact CE3-CB 4.25Å; K43-F51 WeakPolarHBondContact O-CA 3.41Å; R44-F51 HydrophobicContact CB-CD1 4.04Å; R44-F51 HydrophobicContact CB-CE1 3.64Å; R44-F51 HydrophobicContact CB-CE2 4.16Å; R44-F51 HydrophobicContact CB-CG 4.45Å; R44-F51 HydrophobicContact CB-CZ 3.7Å; R44-F51 HydrophobicContact CG-CD2 4.47Å; R44-F51 HydrophobicContact CG-CE1 4.43Å; R44-F51 HydrophobicContact CG-CE2 4.05Å; R44-F51 HydrophobicContact CG-CZ 4.01Å; R44-F51 VanDerWaalsContact N-CD1 3.29Å; F51-I94 HydrophobicContact CE1-CG2 4.44Å; F51-I94 HydrophobicContact CZ-CG2 3.9Å; F51-F114 HydrophobicContact CE1-CB 4.49Å; F51-Y116 HydrophobicContact CB-CE1 3.96Å; F51-Y116 AromaticContact CD1-CD1 3.58Å; F51-Y116 HydrophobicContact CD1-CD1 3.58Å; F51-Y116 AromaticContact CD1-CE1 3.37Å; F51-Y116 HydrophobicContact CD1-CE1 3.37Å; F51-Y116 HydrophobicContact CD2-CE1 4.25Å; F51-Y116 AromaticContact CE1-CD1 3.65Å; F51-Y116 HydrophobicContact CE1-CD1 3.65Å; F51-Y116 AromaticContact CE1-CE1 3.85Å; F51-Y116 HydrophobicContact CE1-CE1 3.85Å; F51-Y116 HydrophobicContact CG-CD1 4.27Å; F51-Y116 AromaticContact CG-CE1 3.61Å; F51-Y116 HydrophobicContact CG-CE1 3.61Å; F51-Y116 HydrophobicContact CZ-CD1 4.38Å; F51-Y116 HydrophobicContact CZ-CE1 4.47Å
52L96.8Very high95.9Very high63 Ų6366.8 Ų66.833%0.3331%0.314SS..EExtended strand (participates in β ladder)trans-131.1142.4177.4-62.3171.4000109K43 R54K43-L52 PolarHBondContact N-O 2.84Å; K43-L52 PolarHBondContact O-N 3.23Å; L52-R54 VanDerWaalsContact CB-NH1 3.31Å; L52-R54 PolarHBondContact O-N 3.38Å
53S97.3Very high95.9Very high49 Ų4963.7 Ų63.734%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-64.3129.9176.6-178.30000110.9F40F40-S53 WeakPolarHBondContact CD1-OG 3.46Å
54R97.8Very high95.8Very high60 Ų6063.1 Ų63.123%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-137.7136.4-178.1-63.2-67.4178.1-101.76.6109.7F40 L41 K43 L52 F56 F68F40-R54 WeakPolarHBondContact CA-O 3.43Å; L41-R54 PolarHBondContact N-O 3.31Å; L41-R54 PolarHBondContact O-N 2.99Å; K43-R54 HydrophobicContact CB-CB 4.29Å; K43-R54 HydrophobicContact CB-CG 3.89Å; K43-R54 HydrophobicContact CD-CG 4.1Å; L52-R54 VanDerWaalsContact CB-NH1 3.31Å; L52-R54 PolarHBondContact O-N 3.38Å; R54-F56 HydrophobicContact CB-CD2 4.28Å; R54-F56 HydrophobicContact CB-CE2 3.9Å; R54-F56 WeakPolarHBondContact O-CD2 3.43Å; R54-F56 PolarHBondContact O-N 2.97Å; R54-F68 VanDerWaalsContact CD-O 3.22Å; R54-F68 WeakPolarHBondContact CD-O 3.47Å
55K97.8Very high95.9Very high51 Ų5160.5 Ų60.522%0.22230%0.3CS..EExtended strand (participates in β ladder)trans-71.4123.8170.3-172.5175.6-176.71750108.8E38 G39 F40 V57 Y67 F68E38-K55 VanDerWaalsContact CD-CE 3.41Å; E38-K55 VanDerWaalsContact OE1-CE 3.32Å; E38-K55 WeakPolarHBondContact OE1-CE 3.32Å; E38-K55 IonicContact OE1-NZ 2.8Å; E38-K55 PolarHBondContact OE1-NZ 3.11Å; E38-K55 VanDerWaalsContact OE2-CE 3.29Å; E38-K55 WeakPolarHBondContact OE2-CE 3.47Å; E38-K55 IonicContact OE2-NZ 2.95Å; E38-K55 PolarHBondContact OE2-NZ 3.42Å; G39-K55 WeakPolarHBondContact O-CA 3.17Å; F40-K55 HydrophobicContact CD1-CB 4.28Å; F40-K55 HydrophobicContact CE1-CB 3.81Å; F40-K55 HydrophobicContact CZ-CB 4.06Å; F40-K55 HydrophobicContact CZ-CG 4.49Å; K55-V57 HydrophobicContact CG-CG2 4.43Å; K55-Y67 CarbonylContact O-C 3.59Å; K55-Y67 WeakPolarHBondContact O-CA 3.27Å; K55-Y67 WeakPolarHBondContact O-CB 3.31Å; K55-F68 HydrophobicContact CB-CB 4.46Å; K55-F68 HydrophobicContact CB-CD2 4.48Å; K55-F68 PolarHBondContact O-N 3.48Å
56F98.6Very high96Very high2 Ų261 Ų611%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-106.6147.7168.4-79-103.6000109.6E38 G39 L41 K43 R54 L65 K66 Y67 M80 I113 I115 W126E38-F56 VanDerWaalsContact CA-O 3.24Å; E38-F56 WeakPolarHBondContact CA-O 3.31Å; G39-F56 PolarHBondContact N-O 3.42Å; G39-F56 VanDerWaalsContact N-O 3.09Å; G39-F56 PolarHBondContact O-N 3.03Å; L41-F56 HydrophobicContact CB-CD2 3.8Å; L41-F56 HydrophobicContact CB-CE2 3.91Å; L41-F56 HydrophobicContact CD1-CB 4.28Å; L41-F56 HydrophobicContact CD1-CD2 3.89Å; L41-F56 HydrophobicContact CD1-CE2 4.32Å; L41-F56 HydrophobicContact CD1-CG 4Å; L41-F56 HydrophobicContact CG-CD2 4.2Å; K43-F56 HydrophobicContact CB-CE2 4.16Å; K43-F56 HydrophobicContact CB-CZ 4.35Å; K43-F56 HydrophobicContact CD-CE2 4.26Å; K43-F56 HydrophobicContact CD-CZ 3.87Å; K43-F56 HydrophobicContact CG-CE2 4.42Å; K43-F56 HydrophobicContact CG-CZ 4.11Å; R54-F56 HydrophobicContact CB-CD2 4.28Å; R54-F56 HydrophobicContact CB-CE2 3.9Å; R54-F56 WeakPolarHBondContact O-CD2 3.43Å; R54-F56 PolarHBondContact O-N 2.97Å; F56-L65 HydrophobicContact CD1-CD1 4.08Å; F56-L65 HydrophobicContact CD1-CD2 4.14Å; F56-L65 HydrophobicContact CD1-CG 4.15Å; F56-L65 HydrophobicContact CE1-CD2 4.35Å; F56-K66 CarbonylContact C-O 3.58Å; F56-K66 VanDerWaalsContact CA-O 3.3Å; F56-K66 WeakPolarHBondContact CA-O 3.47Å; F56-Y67 HydrophobicContact CE1-CD1 4.17Å; F56-Y67 HydrophobicContact CE1-CG 4.18Å; F56-Y67 HydrophobicContact CZ-CD1 4.39Å; F56-Y67 HydrophobicContact CZ-CG 4.17Å; F56-M80 HydrophobicContact CE1-CE 4.38Å; F56-I113 HydrophobicContact CZ-CG2 4.49Å; F56-I115 HydrophobicContact CE2-CG2 4.02Å; F56-I115 HydrophobicContact CZ-CG2 3.68Å; F56-W126 HydrophobicContact CB-CH2 3.65Å; F56-W126 HydrophobicContact CB-CZ2 4.04Å; F56-W126 HydrophobicContact CB-CZ3 4.2Å
57V98.3Very high96.2Very high13 Ų1355.3 Ų55.38%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-137.4114.3174.9-178.30000107.7Y36 R37 E38 K55 T59 L65 K66 F68Y36-V57 HydrophobicContact CD2-CG1 4.46Å; Y36-V57 HydrophobicContact CE2-CG1 3.6Å; R37-V57 CarbonylContact O-C 3.57Å; R37-V57 WeakPolarHBondContact O-CA 3.36Å; E38-V57 HydrophobicContact CB-CG2 3.93Å; K55-V57 HydrophobicContact CG-CG2 4.43Å; V57-T59 HydrophobicContact CG1-CG2 4.5Å; V57-L65 CarbonylContact O-C 3.59Å; V57-K66 PolarHBondContact N-O 2.87Å; V57-K66 PolarHBondContact O-N 2.79Å; V57-F68 HydrophobicContact CG2-CD2 4.48Å; V57-F68 HydrophobicContact CG2-CE2 3.87Å
58L98.7Very high96.7Very high4 Ų450.5 Ų50.52%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-95.9128.5167176.962.5000108.3Y36 R37 L65 I82 W126 A129 L130 A133Y36-L58 WeakPolarHBondContact CA-O 3.32Å; R37-L58 PolarHBondContact N-O 2.91Å; R37-L58 PolarHBondContact O-N 3.09Å; L58-L65 HydrophobicContact CB-CD1 3.86Å; L58-L65 HydrophobicContact CD1-CB 4.2Å; L58-L65 HydrophobicContact CD1-CD1 4.38Å; L58-I82 HydrophobicContact CD1-CD1 4.41Å; L58-I82 HydrophobicContact CD1-CG1 4.46Å; L58-W126 HydrophobicContact CB-CZ3 3.91Å; L58-A129 VanDerWaalsContact CD2-C 3.43Å; L58-A129 HydrophobicContact CD2-CB 3.81Å; L58-A129 WeakPolarHBondContact CD2-O 3.45Å; L58-L130 HydrophobicContact CD1-CD2 4.1Å; L58-L130 HydrophobicContact CD2-CD2 4.16Å; L58-L130 HydrophobicContact CD2-CG 4.38Å; L58-A133 HydrophobicContact CD1-CB 4.06Å; L58-A133 HydrophobicContact CD2-CB 4.04Å; L58-A133 HydrophobicContact CG-CB 4.33Å
59T97.8Very high96.7Very high11 Ų1149.3 Ų49.37%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-142.8121.3177.1170.90000110.3V57 R61 E62 G63 A64V57-T59 HydrophobicContact CG1-CG2 4.5Å; T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact OG1-N 3.35Å; T59-E62 HydrophobicContact CG2-CB 3.81Å; T59-E62 HydrophobicContact CG2-CG 3.88Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.4Å; T59-G63 PolarHBondContact O-N 3.41Å; T59-A64 PolarHBondContact N-O 2.85Å; T59-A64 PolarHBondContact O-N 3.41Å
60E96.4Very high96.6Very high55 Ų5556.1 Ų56.126%0.25726%0.258SS..THydrogen-bonded Turntrans-70-35176.4-68.2-177.8-172.500111.5G35 E62 G63 A133 H136G35-E60 VanDerWaalsContact CA-CD 3.41Å; G35-E60 WeakPolarHBondContact CA-OE1 3.27Å; G35-E60 PolarHBondContact O-N 2.83Å; E60-E62 PolarHBondContact O-N 2.95Å; E60-G63 PolarHBondContact O-N 3.32Å; E60-A133 HydrophobicContact CG-CB 3.73Å; E60-A133 VanDerWaalsContact OE1-CA 3.27Å; E60-A133 WeakPolarHBondContact OE1-CA 3.16Å; E60-A133 PolarHBondContact OE1-N 2.79Å; E60-H136 IonicContact OE1-CE1 3.65Å; E60-H136 IonicContact OE1-ND1 2.84Å; E60-H136 PolarHBondContact OE1-ND1 3.19Å; E60-H136 VanDerWaalsContact OE1-ND1 3.09Å; E60-H136 IonicContact OE2-CE1 3.3Å; E60-H136 IonicContact OE2-CG 2.71Å; E60-H136 IonicContact OE2-ND1 3.71Å; E60-H136 PolarHBondContact OE2-ND1 2.87Å
61R95.9Very high95.7Very high242 Ų24256.5 Ų56.591%0.91326%0.263SS*.THydrogen-bonded Turntrans-55.4-39.9177.9-172.5-178.7-172.1-1622.9112.6T59T59-R61 VanDerWaalsContact C-N 3.33Å; T59-R61 PolarHBondContact OG1-N 3.35Å
62E96.5Very high95.1Very high114 Ų11460.5 Ų60.553%0.53329%0.287SS..THydrogen-bonded Turntrans-971.6176.9-50179131.300112.9T59 E60 A64 K66T59-E62 HydrophobicContact CG2-CB 3.81Å; T59-E62 HydrophobicContact CG2-CG 3.88Å; T59-E62 WeakPolarHBondContact CG2-OE2 3.4Å; E60-E62 PolarHBondContact O-N 2.95Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.31Å; E62-K66 IonicContact OE1-NZ 3.12Å; E62-K66 PolarHBondContact OE1-NZ 2.82Å; E62-K66 VanDerWaalsContact OE1-NZ 3.12Å; E62-K66 WeakPolarHBondContact OE2-CE 3.47Å; E62-K66 IonicContact OE2-NZ 2.53Å; E62-K66 PolarHBondContact OE2-NZ 3.03Å
63G97.1Very high94.8Very high29 Ų2958.8 Ų58.830%0.29928%0.282SS..THydrogen-bonded Turntrans66.527177.900000114.3T59 E60 K81 I82T59-G63 PolarHBondContact O-N 3.41Å; E60-G63 PolarHBondContact O-N 3.32Å; G63-K81 WeakPolarHBondContact O-CA 3.43Å; G63-I82 VanDerWaalsContact C-CD1 3.45Å; G63-I82 WeakPolarHBondContact O-CG1 3.08Å; G63-I82 PolarHBondContact O-N 2.98Å
64A97.9Very high94.4Very high1 Ų166.4 Ų66.41%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-148.3150.1-167.200000116.3T59 E62 K66 V79 M80T59-A64 PolarHBondContact N-O 2.85Å; T59-A64 PolarHBondContact O-N 3.41Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 3.31Å; A64-K66 HydrophobicContact CB-CG 4.41Å; A64-V79 HydrophobicContact CB-CG1 3.64Å; A64-M80 CarbonylContact C-O 3.53Å; A64-M80 VanDerWaalsContact CA-O 3.27Å; A64-M80 WeakPolarHBondContact CA-O 3.35Å
65L98.6Very high94.2Very high4 Ų471 Ų712%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-95127157.1-178.971.6000108.8F56 V57 L58 M80 L85 V102 W126 L130F56-L65 HydrophobicContact CD1-CD1 4.08Å; F56-L65 HydrophobicContact CD1-CD2 4.14Å; F56-L65 HydrophobicContact CD1-CG 4.15Å; F56-L65 HydrophobicContact CE1-CD2 4.35Å; V57-L65 CarbonylContact O-C 3.59Å; L58-L65 HydrophobicContact CB-CD1 3.86Å; L58-L65 HydrophobicContact CD1-CB 4.2Å; L58-L65 HydrophobicContact CD1-CD1 4.38Å; L65-M80 HydrophobicContact CB-CB 4.46Å; L65-M80 HydrophobicContact CB-CE 3.99Å; L65-M80 HydrophobicContact CD2-CE 3.52Å; L65-M80 HydrophobicContact CG-CE 3.59Å; L65-M80 PolarHBondContact N-O 2.98Å; L65-M80 WeakPolarHBondContact O-CB 3.32Å; L65-M80 VanDerWaalsContact O-CE 3.29Å; L65-M80 WeakPolarHBondContact O-CE 3.3Å; L65-M80 PolarHBondContact O-N 2.9Å; L65-L85 HydrophobicContact CB-CD1 3.63Å; L65-V102 HydrophobicContact CD2-CG1 4.39Å; L65-W126 HydrophobicContact CD1-CZ3 3.99Å; L65-L130 HydrophobicContact CD2-CD2 4.24Å
66K97.9Very high94.2Very high33 Ų3370.5 Ų70.514%0.14334%0.335CS..EExtended strand (participates in β ladder)trans-118.3154.3178.2-57.6-177.5-179.6-178.90110.1F56 V57 E62 A64 F68 P76 A78 V79F56-K66 CarbonylContact C-O 3.58Å; F56-K66 VanDerWaalsContact CA-O 3.3Å; F56-K66 WeakPolarHBondContact CA-O 3.47Å; V57-K66 PolarHBondContact N-O 2.87Å; V57-K66 PolarHBondContact O-N 2.79Å; E62-K66 IonicContact OE1-NZ 3.12Å; E62-K66 PolarHBondContact OE1-NZ 2.82Å; E62-K66 VanDerWaalsContact OE1-NZ 3.12Å; E62-K66 WeakPolarHBondContact OE2-CE 3.47Å; E62-K66 IonicContact OE2-NZ 2.53Å; E62-K66 PolarHBondContact OE2-NZ 3.03Å; A64-K66 HydrophobicContact CB-CG 4.41Å; K66-F68 HydrophobicContact CB-CE2 4.43Å; K66-P76 HydrophobicContact CB-CB 4.02Å; K66-P76 HydrophobicContact CD-CB 4.24Å; K66-P76 HydrophobicContact CD-CG 4.17Å; K66-P76 HydrophobicContact CG-CB 4.44Å; K66-A78 WeakPolarHBondContact CA-O 3.38Å; K66-V79 HydrophobicContact CD-CG2 4.2Å; K66-V79 HydrophobicContact CG-CB 4.41Å; K66-V79 HydrophobicContact CG-CG1 4.14Å; K66-V79 HydrophobicContact CG-CG2 4.11Å
67Y97.8Very high94.1Very high22 Ų2276.6 Ų76.69%0.08636%0.361CS..EExtended strand (participates in β ladder)trans-140.1151.8165.178.2-94.5000112.1K43 K55 F56 P76 K77 A78 M80K43-Y67 HydrophobicContact CD-CD2 4.21Å; K43-Y67 HydrophobicContact CD-CE2 4.14Å; K55-Y67 CarbonylContact O-C 3.59Å; K55-Y67 WeakPolarHBondContact O-CA 3.27Å; K55-Y67 WeakPolarHBondContact O-CB 3.31Å; F56-Y67 HydrophobicContact CE1-CD1 4.17Å; F56-Y67 HydrophobicContact CE1-CG 4.18Å; F56-Y67 HydrophobicContact CZ-CD1 4.39Å; F56-Y67 HydrophobicContact CZ-CG 4.17Å; Y67-P76 CarbonylContact O-C 3.59Å; Y67-K77 HydrophobicContact CD2-CB 4.11Å; Y67-K77 HydrophobicContact CE2-CB 3.62Å; Y67-K77 HydrophobicContact CE2-CG 3.67Å; Y67-K77 PolarHBondContact O-N 2.81Å; Y67-A78 HydrophobicContact CD1-CB 3.99Å; Y67-A78 HydrophobicContact CE1-CB 3.42Å; Y67-A78 VanDerWaalsContact CE1-CB 3.42Å; Y67-A78 PolarHBondContact N-O 3.29Å; Y67-M80 HydrophobicContact CD1-CE 3.94Å
68F97.2Very high94Very high35 Ų3576.7 Ų76.715%0.15436%0.363CS..EExtended strand (participates in β ladder)trans-111.9136.1-178.3-60.2-99.6000109.1R54 K55 V57 K66 R70 A73 E75 P76R54-F68 VanDerWaalsContact CD-O 3.22Å; R54-F68 WeakPolarHBondContact CD-O 3.47Å; K55-F68 HydrophobicContact CB-CB 4.46Å; K55-F68 HydrophobicContact CB-CD2 4.48Å; K55-F68 PolarHBondContact O-N 3.48Å; V57-F68 HydrophobicContact CG2-CD2 4.48Å; V57-F68 HydrophobicContact CG2-CE2 3.87Å; K66-F68 HydrophobicContact CB-CE2 4.43Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 WeakPolarHBondContact CB-O 3.48Å; F68-A73 HydrophobicContact CB-CB 4.4Å; F68-A73 HydrophobicContact CD1-CB 4.14Å; F68-A73 WeakPolarHBondContact CD1-O 3.39Å; F68-E75 WeakPolarHBondContact CD1-O 3.35Å; F68-P76 HydrophobicContact CD1-CB 4.39Å; F68-P76 HydrophobicContact CE1-CB 3.96Å; F68-P76 HydrophobicContact CE2-CB 4.4Å; F68-P76 HydrophobicContact CZ-CB 3.96Å
69N89.1Confident93.8Very high62 Ų6280.1 Ų80.133%0.33238%0.384SS..SBendtrans-78.9-20.118063.4-22000113.2K77N69-K77 HydrophobicContact CB-CB 4.07Å; N69-K77 HydrophobicContact CB-CG 4.17Å
70R87.1Confident93.8Very high170 Ų17079.6 Ų79.664%0.64238%0.381SS*.SBendtrans-139.7155.8176.8-56.4-179.2179.1175.2-0.9108.8F68 D72 A73F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 WeakPolarHBondContact CB-O 3.48Å; R70-D72 VanDerWaalsContact C-N 3.32Å; R70-D72 VanDerWaalsContact CB-OD1 3.24Å; R70-D72 WeakPolarHBondContact CB-OD1 3.5Å; R70-D72 PolarHBondContact O-N 3.48Å; R70-A73 HydrophobicContact CB-CB 4.34Å; R70-A73 WeakPolarHBondContact O-CB 3.14Å; R70-A73 PolarHBondContact O-N 3.01Å
71N78.4Confident93.8Very high122 Ų12282.9 Ų82.965%0.65240%0.395SS*.THydrogen-bonded Turntrans-71.7-30.2-174.3-65.60.1000112.7F40F40-N71 WeakPolarHBondContact CE1-OD1 3.41Å
72D85.2Confident93.9Very high129 Ų12971.7 Ų71.769%0.6935%0.353SS*.THydrogen-bonded Turntrans-92.63.6-179.763.9-30.3000113.1R70 K74R70-D72 VanDerWaalsContact C-N 3.32Å; R70-D72 VanDerWaalsContact CB-OD1 3.24Å; R70-D72 WeakPolarHBondContact CB-OD1 3.5Å; R70-D72 PolarHBondContact O-N 3.48Å; D72-K74 PolarHBondContact O-N 3.22Å
73A89.1Confident93.7Very high27 Ų2769.2 Ų69.222%0.22334%0.341CS..  trans-66.3120.2-179.200000110.5F68 R70 E75F68-A73 HydrophobicContact CB-CB 4.4Å; F68-A73 HydrophobicContact CD1-CB 4.14Å; F68-A73 WeakPolarHBondContact CD1-O 3.39Å; R70-A73 HydrophobicContact CB-CB 4.34Å; R70-A73 WeakPolarHBondContact O-CB 3.14Å; R70-A73 PolarHBondContact O-N 3.01Å; A73-E75 VanDerWaalsContact C-N 3.26Å; A73-E75 PolarHBondContact O-N 3.43Å
74K89.8Confident93.4Very high209 Ų20971.8 Ų71.891%0.90935%0.345SS*.SBendtrans-67.5-28.3175.8-65-174.1178.7-177.40112.9D72D72-K74 PolarHBondContact O-N 3.22Å
75E94.3Very high93.3Very high155 Ų15571.9 Ų71.972%0.72435%0.346SS*.SBendtrans-118.8142.3-177.7-66.5-172.6167.700111.6F68 A73F68-E75 WeakPolarHBondContact CD1-O 3.35Å; A73-E75 VanDerWaalsContact C-N 3.26Å; A73-E75 PolarHBondContact O-N 3.43Å
76P96.8Very high93.2Very high41 Ų4171.9 Ų71.927%0.26635%0.346SS..  trans-66.5140.3176.629.7-36000110.4K66 Y67 F68 A78 V79K66-P76 HydrophobicContact CB-CB 4.02Å; K66-P76 HydrophobicContact CD-CB 4.24Å; K66-P76 HydrophobicContact CD-CG 4.17Å; K66-P76 HydrophobicContact CG-CB 4.44Å; Y67-P76 CarbonylContact O-C 3.59Å; F68-P76 HydrophobicContact CD1-CB 4.39Å; F68-P76 HydrophobicContact CE1-CB 3.96Å; F68-P76 HydrophobicContact CE2-CB 4.4Å; F68-P76 HydrophobicContact CZ-CB 3.96Å; P76-A78 PolarHBondContact O-N 3.48Å; P76-V79 HydrophobicContact CB-CG2 4.14Å; P76-V79 HydrophobicContact CG-CG2 3.51Å
77K95.9Very high93.2Very high130 Ų13070.4 Ų70.457%0.56534%0.34SS*.SBendtrans-67.7-29.8174.5-179.758.2-177.5168.30111.8Y67 N69Y67-K77 HydrophobicContact CD2-CB 4.11Å; Y67-K77 HydrophobicContact CE2-CB 3.62Å; Y67-K77 HydrophobicContact CE2-CG 3.67Å; Y67-K77 PolarHBondContact O-N 2.81Å; N69-K77 HydrophobicContact CB-CB 4.07Å; N69-K77 HydrophobicContact CB-CG 4.17Å
78A95.8Very high93.2Very high15 Ų1569.5 Ų69.512%0.12434%0.337CS..EExtended strand (participates in β ladder)trans-150.2147.6170.900000110.6K66 Y67 P76K66-A78 WeakPolarHBondContact CA-O 3.38Å; Y67-A78 HydrophobicContact CD1-CB 3.99Å; Y67-A78 HydrophobicContact CE1-CB 3.42Å; Y67-A78 VanDerWaalsContact CE1-CB 3.42Å; Y67-A78 PolarHBondContact N-O 3.29Å; P76-A78 PolarHBondContact O-N 3.48Å
79V96.4Very high93.2Very high76 Ų7668.3 Ų68.346%0.46133%0.331SS..EExtended strand (participates in β ladder)trans-118.2118.9171-1770000107A64 K66 P76A64-V79 HydrophobicContact CB-CG1 3.64Å; K66-V79 HydrophobicContact CD-CG2 4.2Å; K66-V79 HydrophobicContact CG-CB 4.41Å; K66-V79 HydrophobicContact CG-CG1 4.14Å; K66-V79 HydrophobicContact CG-CG2 4.11Å; P76-V79 HydrophobicContact CB-CG2 4.14Å; P76-V79 HydrophobicContact CG-CG2 3.51Å
80M97.3Very high93.6Very high1 Ų166.2 Ų66.21%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-114.6110.6-175.6-58.4166.6-75.300108F56 A64 L65 Y67 L85 Y104 I113F56-M80 HydrophobicContact CE1-CE 4.38Å; A64-M80 CarbonylContact C-O 3.53Å; A64-M80 VanDerWaalsContact CA-O 3.27Å; A64-M80 WeakPolarHBondContact CA-O 3.35Å; L65-M80 HydrophobicContact CB-CB 4.46Å; L65-M80 HydrophobicContact CB-CE 3.99Å; L65-M80 HydrophobicContact CD2-CE 3.52Å; L65-M80 HydrophobicContact CG-CE 3.59Å; L65-M80 PolarHBondContact N-O 2.98Å; L65-M80 WeakPolarHBondContact O-CB 3.32Å; L65-M80 VanDerWaalsContact O-CE 3.29Å; L65-M80 WeakPolarHBondContact O-CE 3.3Å; L65-M80 PolarHBondContact O-N 2.9Å; Y67-M80 HydrophobicContact CD1-CE 3.94Å; M80-L85 HydrophobicContact CB-CD1 4.24Å; M80-L85 HydrophobicContact CB-CD2 4Å; M80-L85 HydrophobicContact CB-CG 4.27Å; M80-L85 WeakPolarHBondContact O-CD1 3.39Å; M80-Y104 HydrophobicContact CB-CD1 4.34Å; M80-Y104 HydrophobicContact CB-CD2 4.17Å; M80-Y104 HydrophobicContact CB-CG 4.03Å; M80-Y104 HydrophobicContact CG-CD1 3.64Å; M80-Y104 HydrophobicContact CG-CD2 3.84Å; M80-Y104 HydrophobicContact CG-CE1 3.63Å; M80-Y104 HydrophobicContact CG-CE2 3.84Å; M80-Y104 HydrophobicContact CG-CG 3.73Å; M80-Y104 HydrophobicContact SD-CD1 3.5Å; M80-Y104 WeakPolarHBondContact SD-CD1 3.5Å; M80-Y104 HydrophobicContact SD-CE1 3.48Å; M80-Y104 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y104 HydrophobicContact SD-CG 4.17Å; M80-I113 HydrophobicContact SD-CG1 4.36Å
81K96.6Very high94Very high124 Ų12458.4 Ų58.454%0.53929%0.291SS..EExtended strand (participates in β ladder)trans-68.9139.8-177.2-60.7-179.2176.6-176.40111.7G63 E83 H84 L85G63-K81 WeakPolarHBondContact O-CA 3.43Å; K81-E83 HydrophobicContact CB-CG 3.77Å; K81-E83 HydrophobicContact CD-CG 4.18Å; K81-E83 WeakPolarHBondContact CD-OE1 3.37Å; K81-E83 IonicContact NZ-OE1 3.06Å; K81-E83 PolarHBondContact NZ-OE1 3.49Å; K81-E83 PolarHBondContact O-N 3.13Å; K81-H84 PolarHBondContact O-N 3.15Å; K81-L85 WeakPolarHBondContact O-CG 3.38Å; K81-L85 PolarHBondContact O-N 3Å
82I96.8Very high94.8Very high6 Ų655.4 Ų55.43%0.03128%0.283CS..G310 helixtrans-57.6-34.8179.6-68.9166.3000111.9L58 G63 H84 L85 A133 R134 Y137L58-I82 HydrophobicContact CD1-CD1 4.41Å; L58-I82 HydrophobicContact CD1-CG1 4.46Å; G63-I82 VanDerWaalsContact C-CD1 3.45Å; G63-I82 WeakPolarHBondContact O-CG1 3.08Å; G63-I82 PolarHBondContact O-N 2.98Å; I82-H84 PolarHBondContact O-N 3.5Å; I82-H84 VanDerWaalsContact O-N 3.09Å; I82-L85 HydrophobicContact CG1-CD1 4.49Å; I82-L85 PolarHBondContact O-N 2.96Å; I82-A133 HydrophobicContact CD1-CB 3.79Å; I82-A133 HydrophobicContact CG1-CB 4.42Å; I82-R134 HydrophobicContact CG2-CG 4.07Å; I82-R134 WeakPolarHBondContact O-CD 3.33Å; I82-R134 PolarHBondContact O-NH1 2.89Å; I82-Y137 HydrophobicContact CG2-CD1 4.5Å; I82-Y137 HydrophobicContact CG2-CG 4.05Å
83E93.1Very high95.3Very high63 Ų6350.3 Ų50.329%0.29426%0.255SS..G310 helixtrans-52.4-34.517962.2178.1169.700113.7K81 R134 Y137K81-E83 HydrophobicContact CB-CG 3.77Å; K81-E83 HydrophobicContact CD-CG 4.18Å; K81-E83 WeakPolarHBondContact CD-OE1 3.37Å; K81-E83 IonicContact NZ-OE1 3.06Å; K81-E83 PolarHBondContact NZ-OE1 3.49Å; K81-E83 PolarHBondContact O-N 3.13Å; E83-R134 VanDerWaalsContact C-NH1 3.32Å; E83-R134 PolarHBondContact O-NH1 2.84Å; E83-Y137 HydrophobicContact CB-CD2 4.43Å; E83-Y137 HydrophobicContact CB-CE1 3.99Å; E83-Y137 HydrophobicContact CB-CE2 3.63Å; E83-Y137 VanDerWaalsContact CB-OH 3.32Å; E83-Y137 WeakPolarHBondContact CB-OH 3.24Å
84H89.9Confident95.7Very high83 Ų8349.6 Ų49.638%0.38425%0.247SC..G310 helixtrans-110.91.9-174.6-59.3-35.8000113.7K81 I82 Y104 L105K81-H84 PolarHBondContact O-N 3.15Å; I82-H84 PolarHBondContact O-N 3.5Å; I82-H84 VanDerWaalsContact O-N 3.09Å; H84-Y104 WeakPolarHBondContact O-CA 3.39Å; H84-L105 HydrophobicContact CB-CB 3.76Å
85L95.6Very high96Very high3 Ų342.9 Ų42.92%0.01624%0.237CC..  trans-77.7140.2-179.2-83.7168.4000111.8L65 M80 K81 I82 V102 T103 L130L65-L85 HydrophobicContact CB-CD1 3.63Å; M80-L85 HydrophobicContact CB-CD1 4.24Å; M80-L85 HydrophobicContact CB-CD2 4Å; M80-L85 HydrophobicContact CB-CG 4.27Å; M80-L85 WeakPolarHBondContact O-CD1 3.39Å; K81-L85 WeakPolarHBondContact O-CG 3.38Å; K81-L85 PolarHBondContact O-N 3Å; I82-L85 HydrophobicContact CG1-CD1 4.49Å; I82-L85 PolarHBondContact O-N 2.96Å; L85-V102 HydrophobicContact CD2-CG1 3.52Å; L85-T103 CarbonylContact C-O 3.57Å; L85-T103 WeakPolarHBondContact CA-O 3.21Å; L85-L130 HydrophobicContact CD1-CD2 4.36Å
86N97.4Very high96.1Very high3 Ų337.2 Ų37.22%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-134.6154.9162.5-171.934.8000109.5V102 T103 S155 R156N86-V102 CarbonylContact O-C 3.49Å; N86-V102 WeakPolarHBondContact O-CA 3.36Å; N86-T103 PolarHBondContact N-O 2.99Å; N86-T103 PolarHBondContact O-N 3.09Å; N86-S155 WeakPolarHBondContact OD1-CA 3.4Å; N86-R156 PolarHBondContact ND2-O 3.49Å; N86-R156 PolarHBondContact OD1-N 2.99Å; N86-R156 PolarHBondContact OD1-O 3.45Å
87A97.8Very high96.1Very high3 Ų339 Ų393%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-142.3136.5176.600000110.2L100 Q101 V102 F127 L130 S155A87-L100 HydrophobicContact CB-CD1 4.24Å; A87-Q101 CarbonylContact C-O 3.52Å; A87-Q101 WeakPolarHBondContact CA-O 3.37Å; A87-V102 HydrophobicContact CB-CG2 4.23Å; A87-F127 HydrophobicContact CB-CD2 4.07Å; A87-F127 HydrophobicContact CB-CE2 4.31Å; A87-L130 HydrophobicContact CB-CD1 3.92Å; A87-S155 WeakPolarHBondContact O-CB 3.29Å
88T97.5Very high96.2Very high3 Ų334.4 Ų34.42%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-148.7135.1178.2179.70000110.3Q90 Q101 N157 Y158T88-Q90 HydrophobicContact CG2-CG 3.97Å; T88-Q90 PolarHBondContact O-N 2.82Å; T88-Q101 HydrophobicContact CG2-CB 4.31Å; T88-Q101 PolarHBondContact N-O 3.43Å; T88-Q101 PolarHBondContact O-N 3.4Å; T88-N157 PolarHBondContact OG1-OD1 2.93Å; T88-Y158 HydrophobicContact CG2-CD2 4.06Å; T88-Y158 HydrophobicContact CG2-CE2 3.55Å
89F97.9Very high96.4Very high10 Ų1033.7 Ų33.74%0.04420%0.197CC..EExtended strand (participates in β ladder)trans-70.1127.5177.9-81.9-79.1000110.3L8 L9 P91 L100 I123 V124 F127L8-F89 HydrophobicContact CD2-CD1 3.89Å; L8-F89 HydrophobicContact CD2-CE1 3.49Å; L8-F89 VanDerWaalsContact CD2-CE1 3.49Å; L8-F89 HydrophobicContact CD2-CZ 4.07Å; L9-F89 HydrophobicContact CD1-CD2 4.03Å; L9-F89 HydrophobicContact CD2-CD2 3.86Å; L9-F89 HydrophobicContact CD2-CE2 3.62Å; L9-F89 HydrophobicContact CD2-CZ 4.47Å; L9-F89 HydrophobicContact CG-CD2 4.05Å; L9-F89 HydrophobicContact CG-CE2 4.28Å; F89-P91 VanDerWaalsContact C-CD 3.47Å; F89-L100 HydrophobicContact CD1-CB 4.29Å; F89-L100 HydrophobicContact CD1-CD1 4.09Å; F89-L100 HydrophobicContact CD2-CD1 4.02Å; F89-L100 HydrophobicContact CE1-CB 4.18Å; F89-L100 HydrophobicContact CE1-CD1 4.16Å; F89-L100 HydrophobicContact CE2-CD1 4.09Å; F89-L100 HydrophobicContact CG-CD1 4.02Å; F89-L100 HydrophobicContact CZ-CD1 4.16Å; F89-I123 HydrophobicContact CE1-CG1 3.89Å; F89-I123 HydrophobicContact CE1-CG2 3.86Å; F89-I123 HydrophobicContact CZ-CG1 4.25Å; F89-I123 HydrophobicContact CZ-CG2 4.14Å; F89-V124 HydrophobicContact CE2-CG2 4.48Å; F89-V124 HydrophobicContact CZ-CG2 3.98Å; F89-F127 HydrophobicContact CD2-CD2 4.38Å; F89-F127 HydrophobicContact CD2-CG 4.33Å; F89-F127 HydrophobicContact CE2-CB 3.71Å; F89-F127 AromaticContact CE2-CD1 3.82Å; F89-F127 HydrophobicContact CE2-CD1 3.82Å; F89-F127 HydrophobicContact CE2-CD2 4.02Å; F89-F127 HydrophobicContact CE2-CE1 4.39Å; F89-F127 AromaticContact CE2-CG 3.58Å; F89-F127 HydrophobicContact CE2-CG 3.58Å; F89-F127 HydrophobicContact CZ-CB 3.98Å; F89-F127 HydrophobicContact CZ-CG 4.35Å
90Q97.1Very high96.5Very high17 Ų1730 Ų308%0.07918%0.175CC..  trans-136.550.8-171.5-72.3-73.1-7.300111.8T88 A92 K93 I94 G99 Q101 E161T88-Q90 HydrophobicContact CG2-CG 3.97Å; T88-Q90 PolarHBondContact O-N 2.82Å; Q90-A92 PolarHBondContact O-N 3.49Å; Q90-K93 HydrophobicContact CB-CB 4.27Å; Q90-K93 VanDerWaalsContact CD-NZ 3.35Å; Q90-K93 PolarHBondContact O-N 3.06Å; Q90-K93 VanDerWaalsContact OE1-CE 3.28Å; Q90-I94 HydrophobicContact CB-CD1 3.88Å; Q90-I94 HydrophobicContact CB-CG1 4.25Å; Q90-I94 WeakPolarHBondContact O-CB 3.48Å; Q90-I94 VanDerWaalsContact O-CG1 3.31Å; Q90-I94 WeakPolarHBondContact O-CG1 3.43Å; Q90-I94 PolarHBondContact O-N 3Å; Q90-G99 PolarHBondContact N-O 3.27Å; Q90-Q101 HydrophobicContact CB-CB 4.06Å; Q90-Q101 HydrophobicContact CG-CB 3.79Å; Q90-E161 PolarHBondContact NE2-OE2 2.84Å; Q90-E161 PolarHBondContact OE1-OE2 2.83Å
91P96.2Very high96.5Very high6 Ų630.1 Ų30.14%0.03918%0.175CC..Hα-helixtrans-63.4-41.2-168.224.1-33.9000113.6A4 S5 F89 K93 I94 G95 H96A4-P91 HydrophobicContact CB-CB 4.3Å; A4-P91 HydrophobicContact CB-CG 3.71Å; S5-P91 VanDerWaalsContact N-CG 3.32Å; F89-P91 VanDerWaalsContact C-CD 3.47Å; P91-K93 PolarHBondContact O-N 3.27Å; P91-I94 PolarHBondContact O-N 2.77Å; P91-G95 WeakPolarHBondContact O-CA 3.35Å; P91-G95 PolarHBondContact O-N 3.44Å; P91-H96 WeakPolarHBondContact CA-O 3.28Å; P91-H96 WeakPolarHBondContact CB-O 3.33Å; P91-H96 PolarHBondContact O-N 2.71Å; P91-H96 VanDerWaalsContact O-N 3.12Å
92A94.6Very high96.6Very high59 Ų5924.3 Ų24.349%0.48815%0.15SC..Hα-helixtrans-66-38.1178.100000112.7M1 Q90M1-A92 HydrophobicContact CG-CB 3.63Å; Q90-A92 PolarHBondContact O-N 3.49Å
93K95.6Very high96.7Very high22 Ų2224.2 Ų24.210%0.09615%0.15CC..Hα-helixtrans-70.6-40.6177.2-173.7-170.4-56.9169.30111.5Q90 P91 F114 E161 P193 L194Q90-K93 HydrophobicContact CB-CB 4.27Å; Q90-K93 VanDerWaalsContact CD-NZ 3.35Å; Q90-K93 PolarHBondContact O-N 3.06Å; Q90-K93 VanDerWaalsContact OE1-CE 3.28Å; P91-K93 PolarHBondContact O-N 3.27Å; K93-F114 HydrophobicContact CD-CE1 4.38Å; K93-E161 IonicContact NZ-OE1 3.84Å; K93-E161 PolarHBondContact NZ-OE1 3.25Å; K93-E161 IonicContact NZ-OE2 3.78Å; K93-E161 PolarHBondContact NZ-OE2 2.77Å; K93-P193 HydrophobicContact CD-CB 4.09Å; K93-P193 HydrophobicContact CG-CB 3.83Å; K93-L194 HydrophobicContact CG-CD2 4.06Å
94I97.1Very high96.7Very high12 Ų1222.1 Ų22.16%0.06214%0.139CC..Hα-helixtrans-79.2-24.2-177.1-68.3168.9000111.7F51 Q90 P91 H96 Q101 F114 L194F51-I94 HydrophobicContact CE1-CG2 4.44Å; F51-I94 HydrophobicContact CZ-CG2 3.9Å; Q90-I94 HydrophobicContact CB-CD1 3.88Å; Q90-I94 HydrophobicContact CB-CG1 4.25Å; Q90-I94 WeakPolarHBondContact O-CB 3.48Å; Q90-I94 VanDerWaalsContact O-CG1 3.31Å; Q90-I94 WeakPolarHBondContact O-CG1 3.43Å; Q90-I94 PolarHBondContact O-N 3Å; P91-I94 PolarHBondContact O-N 2.77Å; I94-H96 HydrophobicContact CG2-CB 4.16Å; I94-Q101 HydrophobicContact CD1-CB 4.49Å; I94-F114 HydrophobicContact CD1-CB 4.33Å; I94-F114 HydrophobicContact CD1-CD1 3.91Å; I94-F114 HydrophobicContact CG1-CB 4.28Å; I94-F114 HydrophobicContact CG1-CD1 3.71Å; I94-F114 HydrophobicContact CG1-CG 4.37Å; I94-L194 HydrophobicContact CG1-CD2 4.29Å
95G96.1Very high96.6Very high69 Ų6920.2 Ų20.271%0.71113%0.132SC*.THydrogen-bonded Turntrans77.227.5-174.900000113.1P91P91-G95 WeakPolarHBondContact O-CA 3.35Å; P91-G95 PolarHBondContact O-N 3.44Å
96H97.1Very high96.2Very high35 Ų3524.5 Ų24.516%0.16215%0.15CC..SBendtrans-146.5134179.8-167.9-85.1000110.5P91 I94 H98 G99 Y116 E118P91-H96 WeakPolarHBondContact CA-O 3.28Å; P91-H96 WeakPolarHBondContact CB-O 3.33Å; P91-H96 PolarHBondContact O-N 2.71Å; P91-H96 VanDerWaalsContact O-N 3.12Å; I94-H96 HydrophobicContact CG2-CB 4.16Å; H96-H98 AromaticContact CE1-CG 3.94Å; H96-H98 AromaticContact CE1-ND1 3.93Å; H96-H98 WeakPolarHBondContact ND1-CB 3.16Å; H96-H98 PolarHBondContact ND1-N 2.99Å; H96-H98 PolarHBondContact O-N 2.8Å; H96-H98 VanDerWaalsContact O-N 3.09Å; H96-G99 PolarHBondContact O-N 2.94Å; H96-Y116 HydrophobicContact CB-CD1 4.48Å; H96-Y116 HydrophobicContact CB-CG 4.47Å; H96-Y116 AromaticContact CD2-CD2 3.84Å; H96-Y116 AromaticContact CD2-CE2 3.86Å; H96-Y116 AromaticContact CE1-CD2 3.36Å; H96-Y116 WeakPolarHBondContact CE1-CD2 3.21Å; H96-Y116 AromaticContact CE1-CE2 3.9Å; H96-Y116 AromaticContact CE1-CG 3.94Å; H96-Y116 AromaticContact CG-CD2 3.91Å; H96-Y116 AromaticContact CG-CG 3.83Å; H96-Y116 AromaticContact ND1-CD2 3.6Å; H96-Y116 AromaticContact ND1-CG 3.67Å; H96-Y116 AromaticContact NE2-CD2 3.51Å; H96-Y116 AromaticContact NE2-CE2 3.56Å; H96-E118 IonicContact NE2-OE2 3.98Å
97P96.9Very high95.5Very high78 Ų7831.3 Ų31.351%0.50619%0.187SC..THydrogen-bonded Turntrans-58.5-28.2-176.723.2-34.6000113.3
98H98.3Very high94.6Very high34 Ų3433.1 Ų33.116%0.15720%0.196CC..THydrogen-bonded Turntrans-100.318178.8-54161.2000113.6L8 H96 L100 Y116 H117 E118 G120 I123L8-H98 HydrophobicContact CD2-CB 4.46Å; H96-H98 AromaticContact CE1-CG 3.94Å; H96-H98 AromaticContact CE1-ND1 3.93Å; H96-H98 WeakPolarHBondContact ND1-CB 3.16Å; H96-H98 PolarHBondContact ND1-N 2.99Å; H96-H98 PolarHBondContact O-N 2.8Å; H96-H98 VanDerWaalsContact O-N 3.09Å; H98-L100 PolarHBondContact O-N 3.31Å; H98-Y116 WeakPolarHBondContact O-CB 3.27Å; H98-H117 WeakPolarHBondContact CB-O 3.41Å; H98-H117 PolarHBondContact ND1-O 2.73Å; H98-E118 PolarHBondContact CE1-O 2.86Å; H98-E118 PolarHBondContact ND1-O 3.1Å; H98-G120 PolarHBondContact CE1-N 3.27Å; H98-I123 HydrophobicContact CB-CG2 3.91Å
99G98.3Very high94.1Very high0 Ų034.5 Ų34.50%021%0.206CC..  trans-66.3118.4-177.900000112.6Q90 H96Q90-G99 PolarHBondContact N-O 3.27Å; H96-G99 PolarHBondContact O-N 2.94Å
100L98.6Very high93.9Very high0 Ų034.3 Ų34.30%021%0.206CC..EExtended strand (participates in β ladder)trans-112.5126.1173.4-177.468.9000110A87 F89 H98 V102 I115 I123 F127A87-L100 HydrophobicContact CB-CD1 4.24Å; F89-L100 HydrophobicContact CD1-CB 4.29Å; F89-L100 HydrophobicContact CD1-CD1 4.09Å; F89-L100 HydrophobicContact CD2-CD1 4.02Å; F89-L100 HydrophobicContact CE1-CB 4.18Å; F89-L100 HydrophobicContact CE1-CD1 4.16Å; F89-L100 HydrophobicContact CE2-CD1 4.09Å; F89-L100 HydrophobicContact CG-CD1 4.02Å; F89-L100 HydrophobicContact CZ-CD1 4.16Å; H98-L100 PolarHBondContact O-N 3.31Å; L100-V102 HydrophobicContact CD2-CG2 4.28Å; L100-V102 HydrophobicContact CG-CG2 4.34Å; L100-I115 HydrophobicContact CB-CD1 4.49Å; L100-I115 HydrophobicContact CB-CG1 4.15Å; L100-I115 HydrophobicContact CD2-CD1 3.97Å; L100-I115 HydrophobicContact CG-CD1 4.45Å; L100-I115 HydrophobicContact CG-CG1 4.5Å; L100-I115 PolarHBondContact N-O 3.47Å; L100-I115 WeakPolarHBondContact O-CG1 3.43Å; L100-I115 PolarHBondContact O-N 3.36Å; L100-I123 HydrophobicContact CB-CD1 4.07Å; L100-I123 HydrophobicContact CB-CG1 4.07Å; L100-I123 HydrophobicContact CD2-CD1 4.07Å; L100-I123 HydrophobicContact CD2-CG1 4.36Å; L100-F127 HydrophobicContact CD1-CD2 3.97Å; L100-F127 HydrophobicContact CD2-CB 4.43Å
101Q98.6Very high93.9Very high2 Ų234.6 Ų34.61%0.00921%0.206CC..EExtended strand (participates in β ladder)trans-95117.8170.9-178.5177.1-10.400108.6A87 T88 Q90 I94 T103 N112 F114 Y158A87-Q101 CarbonylContact C-O 3.52Å; A87-Q101 WeakPolarHBondContact CA-O 3.37Å; T88-Q101 HydrophobicContact CG2-CB 4.31Å; T88-Q101 PolarHBondContact N-O 3.43Å; T88-Q101 PolarHBondContact O-N 3.4Å; Q90-Q101 HydrophobicContact CB-CB 4.06Å; Q90-Q101 HydrophobicContact CG-CB 3.79Å; I94-Q101 HydrophobicContact CD1-CB 4.49Å; Q101-T103 HydrophobicContact CG-CG2 4.08Å; Q101-N112 PolarHBondContact NE2-OD1 3.39Å; Q101-F114 HydrophobicContact CB-CD1 4.13Å; Q101-F114 HydrophobicContact CB-CE1 4.2Å; Q101-F114 HydrophobicContact CG-CD1 4Å; Q101-F114 HydrophobicContact CG-CE1 3.68Å; Q101-Y158 PolarHBondContact NE2-OH 2.79Å
102V98.5Very high94Very high2 Ų234.5 Ų34.51%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-102.2131.7170.1176.20000108.3L65 L85 N86 A87 L100 I113 I115 L130L65-V102 HydrophobicContact CD2-CG1 4.39Å; L85-V102 HydrophobicContact CD2-CG1 3.52Å; N86-V102 CarbonylContact O-C 3.49Å; N86-V102 WeakPolarHBondContact O-CA 3.36Å; A87-V102 HydrophobicContact CB-CG2 4.23Å; L100-V102 HydrophobicContact CD2-CG2 4.28Å; L100-V102 HydrophobicContact CG-CG2 4.34Å; V102-I113 HydrophobicContact CB-CB 4.26Å; V102-I113 PolarHBondContact N-O 2.78Å; V102-I113 PolarHBondContact O-N 3.01Å; V102-I115 HydrophobicContact CG2-CD1 3.74Å; V102-I115 HydrophobicContact CG2-CG1 4.22Å; V102-L130 HydrophobicContact CG2-CD1 4.26Å
103T97.6Very high94.1Very high4 Ų431.8 Ų31.83%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-121.6144.6174.163.60000110.6L85 N86 Q101 T110 R111 N112 Y158L85-T103 CarbonylContact C-O 3.57Å; L85-T103 WeakPolarHBondContact CA-O 3.21Å; N86-T103 PolarHBondContact N-O 2.99Å; N86-T103 PolarHBondContact O-N 3.09Å; Q101-T103 HydrophobicContact CG-CG2 4.08Å; T103-T110 HydrophobicContact CG2-CG2 4.22Å; T103-R111 VanDerWaalsContact CA-O 3.32Å; T103-R111 WeakPolarHBondContact CA-O 3.39Å; T103-N112 WeakPolarHBondContact CG2-OD1 3.34Å; T103-Y158 WeakPolarHBondContact CG2-OH 3.43Å
104Y94.4Very high94.3Very high19 Ų1931.1 Ų31.18%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-145.2157.7171.772.3-79000110.6M80 H84 K106 R111 I113M80-Y104 HydrophobicContact CB-CD1 4.34Å; M80-Y104 HydrophobicContact CB-CD2 4.17Å; M80-Y104 HydrophobicContact CB-CG 4.03Å; M80-Y104 HydrophobicContact CG-CD1 3.64Å; M80-Y104 HydrophobicContact CG-CD2 3.84Å; M80-Y104 HydrophobicContact CG-CE1 3.63Å; M80-Y104 HydrophobicContact CG-CE2 3.84Å; M80-Y104 HydrophobicContact CG-CG 3.73Å; M80-Y104 HydrophobicContact SD-CD1 3.5Å; M80-Y104 WeakPolarHBondContact SD-CD1 3.5Å; M80-Y104 HydrophobicContact SD-CE1 3.48Å; M80-Y104 WeakPolarHBondContact SD-CE1 3.5Å; M80-Y104 HydrophobicContact SD-CG 4.17Å; H84-Y104 WeakPolarHBondContact O-CA 3.39Å; Y104-K106 HydrophobicContact CD2-CB 4.24Å; Y104-K106 HydrophobicContact CE2-CB 3.64Å; Y104-K106 HydrophobicContact CE2-CD 4.46Å; Y104-K106 HydrophobicContact CE2-CG 4.22Å; Y104-R111 HydrophobicContact CD1-CB 4.02Å; Y104-R111 HydrophobicContact CD1-CG 4.16Å; Y104-R111 HydrophobicContact CE1-CB 3.62Å; Y104-R111 HydrophobicContact CE1-CG 3.36Å; Y104-R111 HydrophobicContact CE2-CB 4.42Å; Y104-R111 PolarHBondContact N-O 3.04Å; Y104-R111 PolarHBondContact O-N 3.45Å; Y104-I113 HydrophobicContact CD1-CG1 4.36Å; Y104-I113 HydrophobicContact CE1-CD1 4.32Å; Y104-I113 HydrophobicContact CE1-CG1 3.97Å
105L88.4Confident94.4Very high44 Ų4430.7 Ų30.723%0.2318%0.177CC..EExtended strand (participates in β ladder)trans-81.6119.9174.9-162.868000109.8H84 N108H84-L105 HydrophobicContact CB-CB 3.76Å; L105-N108 VanDerWaalsContact CD1-C 3.41Å
106K86.1Confident94.5Very high92 Ų9228.7 Ų28.740%0.415%0.149SC..EExtended strand (participates in β ladder)trans-121.5120172.2-172.1-178174.4-179.30109.1Y104 N108 S109 R111Y104-K106 HydrophobicContact CD2-CB 4.24Å; Y104-K106 HydrophobicContact CE2-CB 3.64Å; Y104-K106 HydrophobicContact CE2-CD 4.46Å; Y104-K106 HydrophobicContact CE2-CG 4.22Å; K106-N108 PolarHBondContact O-N 3.37Å; K106-S109 PolarHBondContact N-O 2.86Å; K106-S109 PolarHBondContact O-N 3.3Å; K106-R111 HydrophobicContact CB-CB 4.36Å
107D83Confident94.6Very high146 Ų14629.2 Ų29.278%0.78115%0.151SC*.THydrogen-bonded Turntrans50.942.6180-49.1-42.5000111.3S109D107-S109 PolarHBondContact O-N 3.23Å; D107-S109 VanDerWaalsContact O-N 3.14Å
108N78.7Confident94.6Very high42 Ų4230.8 Ų30.823%0.22515%0.151CC..THydrogen-bonded Turntrans63.212.1-177-149.324.8000115.6L105 K106 H274 K278L105-N108 VanDerWaalsContact CD1-C 3.41Å; K106-N108 PolarHBondContact O-N 3.37Å; N108-H274 PolarHBondContact ND2-O 3.28Å; N108-K278 WeakPolarHBondContact ND2-CE 3.29Å; N108-K278 VanDerWaalsContact O-CE 3.27Å; N108-K278 WeakPolarHBondContact O-CE 3.37Å; N108-K278 PolarHBondContact O-NZ 2.79Å
109S88Confident94.6Very high31 Ų3132.9 Ų32.922%0.21716%0.164CC..EExtended strand (participates in β ladder)trans-114.8140.4170.9-176.30000111.9K106 D107 R111 E201K106-S109 PolarHBondContact N-O 2.86Å; K106-S109 PolarHBondContact O-N 3.3Å; D107-S109 PolarHBondContact O-N 3.23Å; D107-S109 VanDerWaalsContact O-N 3.14Å; S109-R111 PolarHBondContact O-N 2.91Å; S109-E201 VanDerWaalsContact CA-OE1 3.27Å; S109-E201 WeakPolarHBondContact CA-OE1 3.4Å; S109-E201 PolarHBondContact OG-OE1 2.75Å
110T93.5Very high94.6Very high7 Ų733.1 Ų33.14%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-70.1123.4177.7-54.90000110.4T103 R186 M188 E201T103-T110 HydrophobicContact CG2-CG2 4.22Å; T110-R186 WeakPolarHBondContact OG1-CD 3.4Å; T110-R186 PolarHBondContact OG1-NH1 2.96Å; T110-M188 VanDerWaalsContact CB-SD 3.57Å; T110-M188 HydrophobicContact CG2-SD 3.61Å; T110-M188 PolarHBondContact OG1-SD 3.01Å; T110-M188 VanDerWaalsContact OG1-SD 3.37Å; T110-E201 PolarHBondContact N-OE1 2.87Å
111R96Very high94.6Very high22 Ų2235 Ų358%0.08317%0.174CC..EExtended strand (participates in β ladder)trans-101.8122.7171.9175.550.1-177.4-103.27.9110.4T103 Y104 K106 S109 I113 A196 F197T103-R111 VanDerWaalsContact CA-O 3.32Å; T103-R111 WeakPolarHBondContact CA-O 3.39Å; Y104-R111 HydrophobicContact CD1-CB 4.02Å; Y104-R111 HydrophobicContact CD1-CG 4.16Å; Y104-R111 HydrophobicContact CE1-CB 3.62Å; Y104-R111 HydrophobicContact CE1-CG 3.36Å; Y104-R111 HydrophobicContact CE2-CB 4.42Å; Y104-R111 PolarHBondContact N-O 3.04Å; Y104-R111 PolarHBondContact O-N 3.45Å; K106-R111 HydrophobicContact CB-CB 4.36Å; S109-R111 PolarHBondContact O-N 2.91Å; R111-I113 HydrophobicContact CG-CD1 4.22Å; R111-A196 WeakPolarHBondContact CA-O 3.41Å; R111-A196 WeakPolarHBondContact CD-O 3.47Å; R111-F197 HydrophobicContact CB-CD1 4.28Å; R111-F197 HydrophobicContact CB-CE1 3.82Å; R111-F197 HydrophobicContact CB-CZ 4.44Å; R111-F197 HydrophobicContact CG-CE1 4.17Å; R111-F197 HydrophobicContact CG-CZ 4.31Å
112N97.9Very high94.6Very high4 Ų437.5 Ų37.52%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-82135.3168.7-65.1-37.7000111.9Q101 T103 F114 F190 D195 A196Q101-N112 PolarHBondContact NE2-OD1 3.39Å; T103-N112 WeakPolarHBondContact CG2-OD1 3.34Å; N112-F114 HydrophobicContact CB-CD2 4.5Å; N112-F114 HydrophobicContact CB-CE1 4.44Å; N112-F114 HydrophobicContact CB-CE2 3.64Å; N112-F114 HydrophobicContact CB-CZ 3.62Å; N112-F190 WeakPolarHBondContact ND2-CE1 3.08Å; N112-F190 WeakPolarHBondContact ND2-CZ 3.14Å; N112-D195 PolarHBondContact ND2-O 3.38Å; N112-A196 PolarHBondContact N-O 3.1Å
113I98.2Very high94.6Very high3 Ų337.4 Ų37.42%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-126.3120.1168.6-57.8-65.1000107.3K43 F56 M80 V102 Y104 R111 I115K43-I113 HydrophobicContact CD-CG2 4.41Å; K43-I113 HydrophobicContact CG-CG2 4.14Å; F56-I113 HydrophobicContact CZ-CG2 4.49Å; M80-I113 HydrophobicContact SD-CG1 4.36Å; V102-I113 HydrophobicContact CB-CB 4.26Å; V102-I113 PolarHBondContact N-O 2.78Å; V102-I113 PolarHBondContact O-N 3.01Å; Y104-I113 HydrophobicContact CD1-CG1 4.36Å; Y104-I113 HydrophobicContact CE1-CD1 4.32Å; Y104-I113 HydrophobicContact CE1-CG1 3.97Å; R111-I113 HydrophobicContact CG-CD1 4.22Å; I113-I115 HydrophobicContact CG2-CG2 3.99Å
114F98.6Very high94.7Very high7 Ų737.8 Ų37.83%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-104.3122.8177.4-54.1-78.5000108.7R44 F51 K93 I94 Q101 N112 L194R44-F114 HydrophobicContact CB-CB 3.92Å; R44-F114 PolarHBondContact N-O 3.09Å; F51-F114 HydrophobicContact CE1-CB 4.49Å; K93-F114 HydrophobicContact CD-CE1 4.38Å; I94-F114 HydrophobicContact CD1-CB 4.33Å; I94-F114 HydrophobicContact CD1-CD1 3.91Å; I94-F114 HydrophobicContact CG1-CB 4.28Å; I94-F114 HydrophobicContact CG1-CD1 3.71Å; I94-F114 HydrophobicContact CG1-CG 4.37Å; Q101-F114 HydrophobicContact CB-CD1 4.13Å; Q101-F114 HydrophobicContact CB-CE1 4.2Å; Q101-F114 HydrophobicContact CG-CD1 4Å; Q101-F114 HydrophobicContact CG-CE1 3.68Å; N112-F114 HydrophobicContact CB-CD2 4.5Å; N112-F114 HydrophobicContact CB-CE1 4.44Å; N112-F114 HydrophobicContact CB-CE2 3.64Å; N112-F114 HydrophobicContact CB-CZ 3.62Å; F114-L194 HydrophobicContact CD1-CD2 3.76Å; F114-L194 HydrophobicContact CD2-CD2 4.1Å; F114-L194 HydrophobicContact CE1-CD2 3.63Å; F114-L194 HydrophobicContact CE2-CB 4.2Å; F114-L194 HydrophobicContact CE2-CD2 4.01Å; F114-L194 VanDerWaalsContact CE2-O 3.28Å; F114-L194 WeakPolarHBondContact CE2-O 3.36Å; F114-L194 HydrophobicContact CG-CD2 3.98Å; F114-L194 HydrophobicContact CZ-CB 4.43Å; F114-L194 HydrophobicContact CZ-CD2 3.77Å
115I98.7Very high94.9Very high4 Ų437 Ų372%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-134.6157-176.244.5163.6000110.9L41 W42 K43 F56 L100 V102 I113L41-I115 HydrophobicContact CB-CG2 4.41Å; L41-I115 HydrophobicContact CD1-CD1 3.81Å; W42-I115 CarbonylContact O-C 3.54Å; W42-I115 WeakPolarHBondContact O-CA 3.43Å; K43-I115 HydrophobicContact CB-CG2 3.84Å; K43-I115 HydrophobicContact CG-CG2 3.81Å; F56-I115 HydrophobicContact CE2-CG2 4.02Å; F56-I115 HydrophobicContact CZ-CG2 3.68Å; L100-I115 HydrophobicContact CB-CD1 4.49Å; L100-I115 HydrophobicContact CB-CG1 4.15Å; L100-I115 HydrophobicContact CD2-CD1 3.97Å; L100-I115 HydrophobicContact CG-CD1 4.45Å; L100-I115 HydrophobicContact CG-CG1 4.5Å; L100-I115 PolarHBondContact N-O 3.47Å; L100-I115 WeakPolarHBondContact O-CG1 3.43Å; L100-I115 PolarHBondContact O-N 3.36Å; V102-I115 HydrophobicContact CG2-CD1 3.74Å; V102-I115 HydrophobicContact CG2-CG1 4.22Å; I113-I115 HydrophobicContact CG2-CG2 3.99Å
116Y98.8Very high95.4Very high27 Ų2735 Ų3511%0.10617%0.174CC..EExtended strand (participates in β ladder)trans-151.1169.8166.571.3-93.6000110.5W42 F51 H96 H98 E118W42-Y116 HydrophobicContact CB-CD1 3.72Å; W42-Y116 HydrophobicContact CB-CD2 3.99Å; W42-Y116 HydrophobicContact CB-CE1 3.36Å; W42-Y116 HydrophobicContact CB-CE2 3.65Å; W42-Y116 HydrophobicContact CB-CG 4.02Å; W42-Y116 AromaticContact CD1-CD2 4Å; W42-Y116 AromaticContact CD1-CE2 3.34Å; W42-Y116 AromaticContact CD1-CZ 3.67Å; W42-Y116 HydrophobicContact CG-CD2 4.3Å; W42-Y116 HydrophobicContact CG-CE1 4.04Å; W42-Y116 AromaticContact CG-CE2 3.61Å; W42-Y116 HydrophobicContact CG-CE2 3.61Å; W42-Y116 AromaticContact CG-CZ 3.44Å; W42-Y116 VanDerWaalsContact CG-CZ 3.44Å; W42-Y116 PolarHBondContact N-O 3.14Å; W42-Y116 PolarHBondContact O-N 2.93Å; F51-Y116 HydrophobicContact CB-CE1 3.96Å; F51-Y116 AromaticContact CD1-CD1 3.58Å; F51-Y116 HydrophobicContact CD1-CD1 3.58Å; F51-Y116 AromaticContact CD1-CE1 3.37Å; F51-Y116 HydrophobicContact CD1-CE1 3.37Å; F51-Y116 HydrophobicContact CD2-CE1 4.25Å; F51-Y116 AromaticContact CE1-CD1 3.65Å; F51-Y116 HydrophobicContact CE1-CD1 3.65Å; F51-Y116 AromaticContact CE1-CE1 3.85Å; F51-Y116 HydrophobicContact CE1-CE1 3.85Å; F51-Y116 HydrophobicContact CG-CD1 4.27Å; F51-Y116 AromaticContact CG-CE1 3.61Å; F51-Y116 HydrophobicContact CG-CE1 3.61Å; F51-Y116 HydrophobicContact CZ-CD1 4.38Å; F51-Y116 HydrophobicContact CZ-CE1 4.47Å; H96-Y116 HydrophobicContact CB-CD1 4.48Å; H96-Y116 HydrophobicContact CB-CG 4.47Å; H96-Y116 AromaticContact CD2-CD2 3.84Å; H96-Y116 AromaticContact CD2-CE2 3.86Å; H96-Y116 AromaticContact CE1-CD2 3.36Å; H96-Y116 WeakPolarHBondContact CE1-CD2 3.21Å; H96-Y116 AromaticContact CE1-CE2 3.9Å; H96-Y116 AromaticContact CE1-CG 3.94Å; H96-Y116 AromaticContact CG-CD2 3.91Å; H96-Y116 AromaticContact CG-CG 3.83Å; H96-Y116 AromaticContact ND1-CD2 3.6Å; H96-Y116 AromaticContact ND1-CG 3.67Å; H96-Y116 AromaticContact NE2-CD2 3.51Å; H96-Y116 AromaticContact NE2-CE2 3.56Å; H98-Y116 WeakPolarHBondContact O-CB 3.27Å; Y116-E118 WeakPolarHBondContact CE2-OE1 3.46Å
117H98.8Very high96Very high46 Ų4631.6 Ų31.621%0.21316%0.159CC..  trans-129.1151.3166-166.8-92.2000108.9F40 L41 H98 D119 E122 I123F40-H117 PolarHBondContact O-CD2 2.86Å; L41-H117 HydrophobicContact CD2-CB 3.87Å; H98-H117 WeakPolarHBondContact CB-O 3.41Å; H98-H117 PolarHBondContact ND1-O 2.73Å; H117-D119 VanDerWaalsContact C-N 3.34Å; H117-D119 WeakPolarHBondContact ND1-CA 3.33Å; H117-D119 VanDerWaalsContact ND1-CB 3.32Å; H117-D119 WeakPolarHBondContact ND1-CB 3.5Å; H117-D119 PolarHBondContact ND1-N 2.64Å; H117-D119 PolarHBondContact ND1-O 2.95Å; H117-E122 HydrophobicContact CB-CB 4.27Å; H117-E122 VanDerWaalsContact ND1-CB 3.31Å; H117-E122 WeakPolarHBondContact ND1-CB 3.41Å; H117-I123 HydrophobicContact CB-CB 4.07Å; H117-I123 HydrophobicContact CB-CD1 4.48Å
118E98.2Very high96.7Very high110 Ų11027.2 Ų27.251%0.51414%0.136SC..SBendtrans-68.9-36.8178.3-61.5-62.9169.200111.2H96 H98 Y116H96-E118 IonicContact NE2-OE2 3.98Å; H98-E118 PolarHBondContact CE1-O 2.86Å; H98-E118 PolarHBondContact ND1-O 3.1Å; Y116-E118 WeakPolarHBondContact CE2-OE1 3.46Å
119D98.4Very high97.7Very high79 Ų7925.5 Ų25.542%0.42213%0.128SC..SBendtrans-81.5123.8170.3-170.2-23000111.3H117 K121 E122 I123H117-D119 VanDerWaalsContact C-N 3.34Å; H117-D119 WeakPolarHBondContact ND1-CA 3.33Å; H117-D119 VanDerWaalsContact ND1-CB 3.32Å; H117-D119 WeakPolarHBondContact ND1-CB 3.5Å; H117-D119 PolarHBondContact ND1-N 2.64Å; H117-D119 PolarHBondContact ND1-O 2.95Å; D119-K121 WeakPolarHBondContact OD1-CB 3.43Å; D119-K121 PolarHBondContact OD1-N 3.39Å; D119-E122 HydrophobicContact CB-CB 4.09Å; D119-E122 HydrophobicContact CB-CG 3.95Å; D119-E122 PolarHBondContact O-N 3.37Å; D119-I123 PolarHBondContact O-N 3.49Å
120G98Very high98.2Very high4 Ų424.7 Ų24.74%0.04112%0.12CC..Hα-helixtrans-66.7-32.6177.400000113.7H98 I123 V124H98-G120 PolarHBondContact CE1-N 3.27Å; G120-I123 WeakPolarHBondContact O-CG2 3.37Å; G120-V124 VanDerWaalsContact O-CG2 3.29Å; G120-V124 WeakPolarHBondContact O-CG2 3.45Å; G120-V124 PolarHBondContact O-N 3.12Å
121K98.3Very high98.4Very high39 Ų3927.3 Ų27.317%0.1713%0.13CC..Hα-helixtrans-62.6-50173.8174.1176.6165.549.60109.8E22 D119 I123 V124 D125E22-K121 IonicContact OE1-NZ 3.63Å; E22-K121 PolarHBondContact OE1-NZ 2.88Å; D119-K121 WeakPolarHBondContact OD1-CB 3.43Å; D119-K121 PolarHBondContact OD1-N 3.39Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 2.92Å; K121-V124 PolarHBondContact O-N 2.84Å; K121-D125 WeakPolarHBondContact CE-OD2 3.12Å; K121-D125 VanDerWaalsContact NZ-CG 3.28Å; K121-D125 IonicContact NZ-OD1 2.77Å; K121-D125 PolarHBondContact NZ-OD1 2.9Å; K121-D125 IonicContact NZ-OD2 3.26Å; K121-D125 PolarHBondContact NZ-OD2 2.8Å; K121-D125 PolarHBondContact O-N 2.9Å
122E98.7Very high98.5Very high56 Ų5627.3 Ų27.326%0.26214%0.135SC..Hα-helixtrans-57.5-43.8-176.1-77.3-64.1112.300112.8R37 H117 D119 V124 D125 W126R37-E122 IonicContact CZ-OE2 3.38Å; R37-E122 VanDerWaalsContact NH2-CD 3.32Å; R37-E122 IonicContact NH2-OE1 3.72Å; R37-E122 PolarHBondContact NH2-OE1 3.14Å; R37-E122 IonicContact NH2-OE2 2.64Å; R37-E122 PolarHBondContact NH2-OE2 2.8Å; H117-E122 HydrophobicContact CB-CB 4.27Å; H117-E122 VanDerWaalsContact ND1-CB 3.31Å; H117-E122 WeakPolarHBondContact ND1-CB 3.41Å; D119-E122 HydrophobicContact CB-CB 4.09Å; D119-E122 HydrophobicContact CB-CG 3.95Å; D119-E122 PolarHBondContact O-N 3.37Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 2.77Å; E122-D125 PolarHBondContact O-N 3.03Å; E122-W126 PolarHBondContact O-N 2.98Å
123I98.8Very high98.5Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-70.2-31.6178.4-162.664.6000112.6L8 L41 F89 H98 L100 H117 D119 G120 K121 W126 F127L8-I123 HydrophobicContact CD2-CG2 3.85Å; L41-I123 HydrophobicContact CD2-CD1 3.92Å; F89-I123 HydrophobicContact CE1-CG1 3.89Å; F89-I123 HydrophobicContact CE1-CG2 3.86Å; F89-I123 HydrophobicContact CZ-CG1 4.25Å; F89-I123 HydrophobicContact CZ-CG2 4.14Å; H98-I123 HydrophobicContact CB-CG2 3.91Å; L100-I123 HydrophobicContact CB-CD1 4.07Å; L100-I123 HydrophobicContact CB-CG1 4.07Å; L100-I123 HydrophobicContact CD2-CD1 4.07Å; L100-I123 HydrophobicContact CD2-CG1 4.36Å; H117-I123 HydrophobicContact CB-CB 4.07Å; H117-I123 HydrophobicContact CB-CD1 4.48Å; D119-I123 PolarHBondContact O-N 3.49Å; G120-I123 WeakPolarHBondContact O-CG2 3.37Å; K121-I123 VanDerWaalsContact C-N 3.34Å; K121-I123 PolarHBondContact O-N 2.92Å; I123-W126 PolarHBondContact O-N 3.11Å; I123-F127 PolarHBondContact O-N 3.13Å
124V98.6Very high98.5Very high11 Ų1128 Ų287%0.06714%0.137CC..Hα-helixtrans-72.8-38.4176.5170.80000110.6L8 L9 Q12 F89 G120 K121 E122 F127 N128L8-V124 HydrophobicContact CD1-CG2 4.26Å; L8-V124 HydrophobicContact CD2-CG2 4.18Å; L8-V124 HydrophobicContact CG-CG2 3.99Å; L9-V124 HydrophobicContact CD2-CG2 4.25Å; Q12-V124 HydrophobicContact CB-CB 4.31Å; Q12-V124 HydrophobicContact CB-CG1 4.21Å; Q12-V124 HydrophobicContact CB-CG2 4Å; Q12-V124 HydrophobicContact CG-CB 4.45Å; Q12-V124 HydrophobicContact CG-CG2 3.94Å; F89-V124 HydrophobicContact CE2-CG2 4.48Å; F89-V124 HydrophobicContact CZ-CG2 3.98Å; G120-V124 VanDerWaalsContact O-CG2 3.29Å; G120-V124 WeakPolarHBondContact O-CG2 3.45Å; G120-V124 PolarHBondContact O-N 3.12Å; K121-V124 PolarHBondContact O-N 2.84Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 2.77Å; V124-F127 WeakPolarHBondContact O-CB 3.43Å; V124-F127 PolarHBondContact O-N 2.9Å; V124-N128 PolarHBondContact O-N 3.45Å; V124-N128 PolarHBondContact O-ND2 2.89Å
125D98.8Very high98.5Very high2 Ų229.6 Ų29.61%0.01114%0.144CC..Hα-helixtrans-61.4-44.1171.5-7515.4000110.5Y32 K121 E122 F127 N128 A129Y32-D125 WeakPolarHBondContact CB-O 3.43Å; Y32-D125 HydrophobicContact CD1-CB 4.05Å; K121-D125 WeakPolarHBondContact CE-OD2 3.12Å; K121-D125 VanDerWaalsContact NZ-CG 3.28Å; K121-D125 IonicContact NZ-OD1 2.77Å; K121-D125 PolarHBondContact NZ-OD1 2.9Å; K121-D125 IonicContact NZ-OD2 3.26Å; K121-D125 PolarHBondContact NZ-OD2 2.8Å; K121-D125 PolarHBondContact O-N 2.9Å; E122-D125 PolarHBondContact O-N 3.03Å; D125-F127 VanDerWaalsContact C-N 3.35Å; D125-F127 PolarHBondContact O-N 2.86Å; D125-N128 PolarHBondContact O-N 2.82Å; D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.22Å; D125-A129 PolarHBondContact O-N 3.14Å
126W98.8Very high98.4Very high4 Ų432.9 Ų32.92%0.01516%0.159CC..Hα-helixtrans-58.7-43172.3-87.7107.5000113R37 L41 F56 L58 L65 E122 I123 A129 L130R37-W126 HydrophobicContact CB-CH2 4.36Å; R37-W126 HydrophobicContact CB-CZ3 4.29Å; R37-W126 HydrophobicContact CG-CD2 4.34Å; R37-W126 HydrophobicContact CG-CE3 4.32Å; R37-W126 HydrophobicContact CG-CH2 4.01Å; R37-W126 HydrophobicContact CG-CZ2 4.03Å; R37-W126 HydrophobicContact CG-CZ3 4.16Å; R37-W126 WeakPolarHBondContact O-CH2 3.28Å; L41-W126 HydrophobicContact CD1-CD2 4.05Å; L41-W126 HydrophobicContact CD1-CG 4.19Å; L41-W126 HydrophobicContact CD1-CZ2 4.48Å; L41-W126 HydrophobicContact CD2-CG 4.47Å; F56-W126 HydrophobicContact CB-CH2 3.65Å; F56-W126 HydrophobicContact CB-CZ2 4.04Å; F56-W126 HydrophobicContact CB-CZ3 4.2Å; L58-W126 HydrophobicContact CB-CZ3 3.91Å; L65-W126 HydrophobicContact CD1-CZ3 3.99Å; E122-W126 PolarHBondContact O-N 2.98Å; I123-W126 PolarHBondContact O-N 3.11Å; W126-A129 PolarHBondContact O-N 2.94Å; W126-L130 WeakPolarHBondContact O-CG 3.35Å; W126-L130 PolarHBondContact O-N 3.05Å
127F98.6Very high98.3Very high19 Ų1935.3 Ų35.38%0.08317%0.169CC..Hα-helixtrans-63.4-42.6176.8173.4-107.8000112.1A87 F89 L100 I123 V124 D125 L130 R131 S155A87-F127 HydrophobicContact CB-CD2 4.07Å; A87-F127 HydrophobicContact CB-CE2 4.31Å; F89-F127 HydrophobicContact CD2-CD2 4.38Å; F89-F127 HydrophobicContact CD2-CG 4.33Å; F89-F127 HydrophobicContact CE2-CB 3.71Å; F89-F127 AromaticContact CE2-CD1 3.82Å; F89-F127 HydrophobicContact CE2-CD1 3.82Å; F89-F127 HydrophobicContact CE2-CD2 4.02Å; F89-F127 HydrophobicContact CE2-CE1 4.39Å; F89-F127 AromaticContact CE2-CG 3.58Å; F89-F127 HydrophobicContact CE2-CG 3.58Å; F89-F127 HydrophobicContact CZ-CB 3.98Å; F89-F127 HydrophobicContact CZ-CG 4.35Å; L100-F127 HydrophobicContact CD1-CD2 3.97Å; L100-F127 HydrophobicContact CD2-CB 4.43Å; I123-F127 PolarHBondContact O-N 3.13Å; V124-F127 WeakPolarHBondContact O-CB 3.43Å; V124-F127 PolarHBondContact O-N 2.9Å; D125-F127 VanDerWaalsContact C-N 3.35Å; D125-F127 PolarHBondContact O-N 2.86Å; F127-L130 WeakPolarHBondContact O-CB 3.32Å; F127-L130 PolarHBondContact O-N 3.01Å; F127-R131 HydrophobicContact CZ-CG 4.44Å; F127-R131 WeakPolarHBondContact O-CG 3.29Å; F127-R131 PolarHBondContact O-N 3.43Å; F127-R131 VanDerWaalsContact O-N 3.11Å; F127-S155 WeakPolarHBondContact CZ-OG 3.18Å
128N98.6Very high98.2Very high55 Ų5533.4 Ų33.429%0.29416%0.16SC..Hα-helixtrans-72.3-35177.8-73.9-41.7000112.6Y32 V124 D125 L130 R131 A132Y32-N128 HydrophobicContact CD2-CB 4.29Å; Y32-N128 HydrophobicContact CG-CB 4.38Å; V124-N128 PolarHBondContact O-N 3.45Å; V124-N128 PolarHBondContact O-ND2 2.89Å; D125-N128 PolarHBondContact O-N 2.82Å; N128-L130 VanDerWaalsContact C-N 3.34Å; N128-L130 PolarHBondContact O-N 2.93Å; N128-R131 CarbonylContact O-C 3.57Å; N128-R131 WeakPolarHBondContact O-CB 3.44Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 VanDerWaalsContact O-N 3.12Å; N128-A132 PolarHBondContact O-N 3.5Å
129A98.7Very high98.1Very high6 Ų631.4 Ų31.45%0.0515%0.151CC..Hα-helixtrans-62.1-42.8172.900000111.2L58 D125 W126 R131 A132 A133L58-A129 VanDerWaalsContact CD2-C 3.43Å; L58-A129 HydrophobicContact CD2-CB 3.81Å; L58-A129 WeakPolarHBondContact CD2-O 3.45Å; D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.22Å; D125-A129 PolarHBondContact O-N 3.14Å; W126-A129 PolarHBondContact O-N 2.94Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 2.88Å; A129-A132 PolarHBondContact O-N 3.33Å; A129-A133 WeakPolarHBondContact O-CB 3.18Å; A129-A133 PolarHBondContact O-N 3.46Å
130L98.6Very high97.9Very high13 Ų1333.5 Ų33.57%0.06817%0.166CC..Hα-helixtrans-59.3-40.5172.2-78.8171.6000112.2L58 L65 L85 A87 V102 W126 F127 N128 R134L58-L130 HydrophobicContact CD1-CD2 4.1Å; L58-L130 HydrophobicContact CD2-CD2 4.16Å; L58-L130 HydrophobicContact CD2-CG 4.38Å; L65-L130 HydrophobicContact CD2-CD2 4.24Å; L85-L130 HydrophobicContact CD1-CD2 4.36Å; A87-L130 HydrophobicContact CB-CD1 3.92Å; V102-L130 HydrophobicContact CG2-CD1 4.26Å; W126-L130 WeakPolarHBondContact O-CG 3.35Å; W126-L130 PolarHBondContact O-N 3.05Å; F127-L130 WeakPolarHBondContact O-CB 3.32Å; F127-L130 PolarHBondContact O-N 3.01Å; N128-L130 VanDerWaalsContact C-N 3.34Å; N128-L130 PolarHBondContact O-N 2.93Å; L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 WeakPolarHBondContact O-CG 3.45Å; L130-R134 PolarHBondContact O-N 3.27Å
131R98.4Very high97.7Very high62 Ų6235.4 Ų35.423%0.23418%0.181CC..Hα-helixtrans-67.9-40.5177.1-72168.454.574.74112.3F127 N128 A129 R134 F135 L154 S155F127-R131 HydrophobicContact CZ-CG 4.44Å; F127-R131 WeakPolarHBondContact O-CG 3.29Å; F127-R131 PolarHBondContact O-N 3.43Å; F127-R131 VanDerWaalsContact O-N 3.11Å; N128-R131 CarbonylContact O-C 3.57Å; N128-R131 WeakPolarHBondContact O-CB 3.44Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 VanDerWaalsContact O-N 3.12Å; A129-R131 VanDerWaalsContact C-N 3.3Å; A129-R131 PolarHBondContact O-N 2.88Å; R131-R134 WeakPolarHBondContact O-CB 3.31Å; R131-R134 PolarHBondContact O-N 2.85Å; R131-F135 WeakPolarHBondContact O-CB 3.35Å; R131-F135 PolarHBondContact O-N 3.35Å; R131-L154 HydrophobicContact CB-CB 4.13Å; R131-L154 HydrophobicContact CB-CD1 4.29Å; R131-L154 HydrophobicContact CG-CB 4.16Å; R131-S155 PolarHBondContact NH1-OG 3.19Å
132A98.3Very high97.5Very high23 Ų2336.8 Ų36.819%0.1919%0.187CC..Hα-helixtrans-62.1-48.8175.300000111N128 A129 R134 F135 H136N128-A132 PolarHBondContact O-N 3.5Å; A129-A132 PolarHBondContact O-N 3.33Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 3.47Å; A132-F135 WeakPolarHBondContact O-CA 3.45Å; A132-F135 VanDerWaalsContact O-CB 3.31Å; A132-F135 WeakPolarHBondContact O-CB 3.23Å; A132-F135 PolarHBondContact O-N 3.36Å; A132-H136 PolarHBondContact O-N 2.91Å
133A98.3Very high97.2Very high1 Ų139.8 Ų39.81%0.00821%0.212CC..Hα-helixtrans-60.3-40176.600000112.4L58 E60 I82 A129 F135 Y137L58-A133 HydrophobicContact CD1-CB 4.06Å; L58-A133 HydrophobicContact CD2-CB 4.04Å; L58-A133 HydrophobicContact CG-CB 4.33Å; E60-A133 HydrophobicContact CG-CB 3.73Å; E60-A133 VanDerWaalsContact OE1-CA 3.27Å; E60-A133 WeakPolarHBondContact OE1-CA 3.16Å; E60-A133 PolarHBondContact OE1-N 2.79Å; I82-A133 HydrophobicContact CD1-CB 3.79Å; I82-A133 HydrophobicContact CG1-CB 4.42Å; A129-A133 WeakPolarHBondContact O-CB 3.18Å; A129-A133 PolarHBondContact O-N 3.46Å; A133-F135 VanDerWaalsContact C-N 3.34Å; A133-Y137 WeakPolarHBondContact O-CB 3.04Å; A133-Y137 PolarHBondContact O-N 3.5Å; A133-Y137 VanDerWaalsContact O-N 3.11Å
134R97.9Very high96.8Very high19 Ų1943.8 Ų43.87%0.07225%0.252CS..Hα-helixtrans-64.1-37.1172.3-76.6-76.5-60.5163.25.2112.6I82 E83 L130 R131 A132 L138 K153 L154I82-R134 HydrophobicContact CG2-CG 4.07Å; I82-R134 WeakPolarHBondContact O-CD 3.33Å; I82-R134 PolarHBondContact O-NH1 2.89Å; E83-R134 VanDerWaalsContact C-NH1 3.32Å; E83-R134 PolarHBondContact O-NH1 2.84Å; L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 WeakPolarHBondContact O-CG 3.45Å; L130-R134 PolarHBondContact O-N 3.27Å; R131-R134 WeakPolarHBondContact O-CB 3.31Å; R131-R134 PolarHBondContact O-N 2.85Å; A132-R134 VanDerWaalsContact C-N 3.3Å; A132-R134 PolarHBondContact O-N 3.47Å; R134-L138 WeakPolarHBondContact O-CB 3.06Å; R134-L138 WeakPolarHBondContact O-CG 3.38Å; R134-L138 PolarHBondContact O-N 3.09Å; R134-K153 PolarHBondContact NH2-O 3.01Å; R134-K153 VanDerWaalsContact NH2-O 3.1Å; R134-L154 HydrophobicContact CB-CD2 4.4Å; R134-L154 WeakPolarHBondContact CG-O 3.46Å; R134-L154 PolarHBondContact NE-O 2.92Å
135F97.8Very high96.6Very high41 Ų4144.6 Ų44.618%0.1826%0.261CS..Hα-helixtrans-65.8-50.5-179.9-179.9-120.6000111R131 A132 A133 Y137 L138 Q139 D147 L150 L154R131-F135 WeakPolarHBondContact O-CB 3.35Å; R131-F135 PolarHBondContact O-N 3.35Å; A132-F135 WeakPolarHBondContact O-CA 3.45Å; A132-F135 VanDerWaalsContact O-CB 3.31Å; A132-F135 WeakPolarHBondContact O-CB 3.23Å; A132-F135 PolarHBondContact O-N 3.36Å; A133-F135 VanDerWaalsContact C-N 3.34Å; F135-Y137 VanDerWaalsContact C-N 3.35Å; F135-Y137 PolarHBondContact O-N 3.12Å; F135-L138 PolarHBondContact O-N 2.84Å; F135-L138 VanDerWaalsContact O-N 3.09Å; F135-Q139 HydrophobicContact CD2-CG 4.5Å; F135-Q139 HydrophobicContact CE2-CG 4.27Å; F135-Q139 HydrophobicContact CZ-CG 4.31Å; F135-Q139 PolarHBondContact O-N 2.77Å; F135-D147 HydrophobicContact CE2-CB 4.12Å; F135-D147 HydrophobicContact CZ-CB 4.04Å; F135-D147 VanDerWaalsContact CZ-CG 3.5Å; F135-D147 WeakPolarHBondContact CZ-OD1 3.1Å; F135-L150 HydrophobicContact CD2-CB 4.14Å; F135-L150 HydrophobicContact CE2-CB 4.13Å; F135-L150 HydrophobicContact CE2-CD1 4.36Å; F135-L154 HydrophobicContact CB-CD1 4.12Å; F135-L154 HydrophobicContact CB-CD2 3.47Å; F135-L154 VanDerWaalsContact CB-CD2 3.47Å; F135-L154 HydrophobicContact CB-CG 4.44Å; F135-L154 HydrophobicContact CD2-CD2 3.89Å; F135-L154 HydrophobicContact CG-CD2 4.15Å
136H96.9Very high96.4Very high73 Ų7346.2 Ų46.234%0.33828%0.278SS..Hα-helixtrans-61.3-42.4176.9-61.4155000112.1E60 A132 L138 Q139 V140E60-H136 IonicContact OE1-CE1 3.65Å; E60-H136 IonicContact OE1-ND1 2.84Å; E60-H136 PolarHBondContact OE1-ND1 3.19Å; E60-H136 VanDerWaalsContact OE1-ND1 3.09Å; E60-H136 IonicContact OE2-CE1 3.3Å; E60-H136 IonicContact OE2-CG 2.71Å; E60-H136 IonicContact OE2-ND1 3.71Å; E60-H136 PolarHBondContact OE2-ND1 2.87Å; A132-H136 PolarHBondContact O-N 2.91Å; H136-L138 VanDerWaalsContact C-N 3.31Å; H136-L138 PolarHBondContact O-N 3.25Å; H136-Q139 PolarHBondContact O-N 3.19Å; H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 3.01Å; H136-V140 VanDerWaalsContact O-N 3.16Å
137Y96.9Very high96.3Very high79 Ų7950.2 Ų50.231%0.3130%0.3SS..Hα-helixtrans-55.8-46172.8165.2-97.4000112I82 E83 A133 F135 V140 A141I82-Y137 HydrophobicContact CG2-CD1 4.5Å; I82-Y137 HydrophobicContact CG2-CG 4.05Å; E83-Y137 HydrophobicContact CB-CD2 4.43Å; E83-Y137 HydrophobicContact CB-CE1 3.99Å; E83-Y137 HydrophobicContact CB-CE2 3.63Å; E83-Y137 VanDerWaalsContact CB-OH 3.32Å; E83-Y137 WeakPolarHBondContact CB-OH 3.24Å; A133-Y137 WeakPolarHBondContact O-CB 3.04Å; A133-Y137 PolarHBondContact O-N 3.5Å; A133-Y137 VanDerWaalsContact O-N 3.11Å; F135-Y137 VanDerWaalsContact C-N 3.35Å; F135-Y137 PolarHBondContact O-N 3.12Å; Y137-V140 PolarHBondContact O-N 2.82Å; Y137-A141 HydrophobicContact CE1-CB 4.28Å; Y137-A141 HydrophobicContact CE2-CB 4.37Å; Y137-A141 WeakPolarHBondContact O-CB 3.48Å; Y137-A141 PolarHBondContact O-N 3.14Å
138L96Very high96.1Very high6 Ų653.3 Ų53.33%0.03133%0.329CS..Hα-helixtrans-69.3-35.7-178.3-73.6169.8000112.8R134 F135 H136 V140 A141 F142 L150 K153 L154R134-L138 WeakPolarHBondContact O-CB 3.06Å; R134-L138 WeakPolarHBondContact O-CG 3.38Å; R134-L138 PolarHBondContact O-N 3.09Å; F135-L138 PolarHBondContact O-N 2.84Å; F135-L138 VanDerWaalsContact O-N 3.09Å; H136-L138 VanDerWaalsContact C-N 3.31Å; H136-L138 PolarHBondContact O-N 3.25Å; L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 PolarHBondContact O-N 3.25Å; L138-A141 PolarHBondContact O-N 3.25Å; L138-F142 HydrophobicContact CB-CD2 4.49Å; L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 3.57Å; L138-F142 WeakPolarHBondContact O-CB 3.47Å; L138-F142 WeakPolarHBondContact O-CD2 3.38Å; L138-F142 PolarHBondContact O-N 3.19Å; L138-L150 HydrophobicContact CB-CD1 4.09Å; L138-L150 HydrophobicContact CB-CD2 4.02Å; L138-L150 HydrophobicContact CB-CG 4.44Å; L138-K153 HydrophobicContact CD1-CB 3.7Å; L138-L154 HydrophobicContact CD1-CD2 3.91Å
139Q96.4Very high95.8Very high68 Ų6855.3 Ų55.332%0.31834%0.339SS..Hα-helixtrans-61.3-40.4174.3-74.1178.5-44.500111.2F135 H136 F142 P143 D147 L150F135-Q139 HydrophobicContact CD2-CG 4.5Å; F135-Q139 HydrophobicContact CE2-CG 4.27Å; F135-Q139 HydrophobicContact CZ-CG 4.31Å; F135-Q139 PolarHBondContact O-N 2.77Å; H136-Q139 PolarHBondContact O-N 3.19Å; Q139-F142 CarbonylContact O-C 3.55Å; Q139-P143 WeakPolarHBondContact O-CA 3.42Å; Q139-D147 PolarHBondContact NE2-OD1 2.83Å; Q139-D147 VanDerWaalsContact NE2-OD1 3.14Å; Q139-L150 HydrophobicContact CB-CD1 4.31Å; Q139-L150 HydrophobicContact CG-CD1 3.56Å
140V95.3Very high95.6Very high123 Ų12355 Ų5575%0.74534%0.337SS*.Hα-helixtrans-71.6-43176.4177.40000111.7H136 Y137 L138 F142H136-V140 WeakPolarHBondContact O-CG2 3.37Å; H136-V140 PolarHBondContact O-N 3.01Å; H136-V140 VanDerWaalsContact O-N 3.16Å; Y137-V140 PolarHBondContact O-N 2.82Å; L138-V140 VanDerWaalsContact C-N 3.29Å; L138-V140 PolarHBondContact O-N 3.25Å; V140-F142 VanDerWaalsContact C-N 3.3Å; V140-F142 PolarHBondContact O-N 3.26Å
141A93.5Very high95.5Very high43 Ų4357.7 Ų57.736%0.35535%0.354SS..Hα-helixtrans-71.5-24.1-178.900000113.3Y137 L138Y137-A141 HydrophobicContact CE1-CB 4.28Å; Y137-A141 HydrophobicContact CE2-CB 4.37Å; Y137-A141 WeakPolarHBondContact O-CB 3.48Å; Y137-A141 PolarHBondContact O-N 3.14Å; L138-A141 PolarHBondContact O-N 3.25Å
142F93.4Very high95.2Very high68 Ų6859 Ų5930%0.29837%0.37SS..  trans-135.768.3-176.6-55.9-77.5000111L138 Q139 V140 G144 A145 L150L138-F142 HydrophobicContact CB-CD2 4.49Å; L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 3.57Å; L138-F142 WeakPolarHBondContact O-CB 3.47Å; L138-F142 WeakPolarHBondContact O-CD2 3.38Å; L138-F142 PolarHBondContact O-N 3.19Å; Q139-F142 CarbonylContact O-C 3.55Å; V140-F142 VanDerWaalsContact C-N 3.3Å; V140-F142 PolarHBondContact O-N 3.26Å; F142-G144 PolarHBondContact O-N 3.4Å; F142-A145 HydrophobicContact CB-CB 3.95Å; F142-A145 WeakPolarHBondContact O-CB 3.45Å; F142-A145 PolarHBondContact O-N 3.45Å; F142-L150 HydrophobicContact CB-CD2 4.47Å
143P92.6Very high94.9Very high120 Ų12061.3 Ų61.378%0.77938%0.376SS*.THydrogen-bonded Turntrans-64.8-15-170.626.1-35.8000114.9Q139Q139-P143 WeakPolarHBondContact O-CA 3.42Å
144G90.9Very high94.8Very high83 Ų8361.9 Ų61.986%0.85638%0.379SS*.THydrogen-bonded Turntrans-96.2-1.2175.400000114.9F142F142-G144 PolarHBondContact O-N 3.4Å
145A93.6Very high94.6Very high29 Ų2961.8 Ų61.824%0.2438%0.381CS..SBendtrans-87.9135.3178.700000110.5F142 D149 L150F142-A145 HydrophobicContact CB-CB 3.95Å; F142-A145 WeakPolarHBondContact O-CB 3.45Å; F142-A145 PolarHBondContact O-N 3.45Å; A145-D149 HydrophobicContact CB-CB 4.47Å; A145-L150 HydrophobicContact CB-CD2 3.66Å; A145-L150 HydrophobicContact CB-CG 4.13Å
146G95.4Very high94.4Very high36 Ų3663.1 Ų63.137%0.37139%0.385SS..  trans-74.9158174.300000111.8A148 D149 L150G146-A148 PolarHBondContact O-N 3Å; G146-A148 VanDerWaalsContact O-N 3.16Å; G146-D149 PolarHBondContact N-OD2 3.39Å; G146-D149 WeakPolarHBondContact O-CB 3.31Å; G146-D149 PolarHBondContact O-N 3.15Å; G146-L150 PolarHBondContact O-N 3.49Å
147D95.3Very high94.3Very high88 Ų8865.1 Ų65.147%0.47140%0.398SS..Hα-helixtrans-54.4-39.4-179.8-69.1-9.3000112.6F135 Q139 D149 L150 V151F135-D147 HydrophobicContact CE2-CB 4.12Å; F135-D147 HydrophobicContact CZ-CB 4.04Å; F135-D147 VanDerWaalsContact CZ-CG 3.5Å; F135-D147 WeakPolarHBondContact CZ-OD1 3.1Å; Q139-D147 PolarHBondContact NE2-OD1 2.83Å; Q139-D147 VanDerWaalsContact NE2-OD1 3.14Å; D147-D149 PolarHBondContact O-N 3.33Å; D147-L150 PolarHBondContact O-N 3.47Å; D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.29Å; D147-V151 PolarHBondContact O-N 3.35Å
148A95.2Very high94.2Very high84 Ų8462.5 Ų62.569%0.69439%0.388SS*.Hα-helixtrans-60-29.4176.800000113.3G146 P152G146-A148 PolarHBondContact O-N 3Å; G146-A148 VanDerWaalsContact O-N 3.16Å; A148-P152 WeakPolarHBondContact O-CD 3.5Å
149D92.4Very high94.2Very high97 Ų9765.7 Ų65.752%0.51941%0.405SS..Hα-helixtrans-81.5-21.5176.9-59.1-43.5000112.6A145 G146 D147 K153A145-D149 HydrophobicContact CB-CB 4.47Å; G146-D149 PolarHBondContact N-OD2 3.39Å; G146-D149 WeakPolarHBondContact O-CB 3.31Å; G146-D149 PolarHBondContact O-N 3.15Å; D147-D149 PolarHBondContact O-N 3.33Å; D149-K153 VanDerWaalsContact O-CE 3.24Å; D149-K153 WeakPolarHBondContact O-CE 3.35Å; D149-K153 PolarHBondContact O-NZ 3.03Å
150L94.8Very high94.2Very high0 Ų063.4 Ų63.40%039%0.394CS..Hα-helixtrans-92.7-36.2-177.8-60.3-172.9000112.7F135 L138 Q139 F142 A145 G146 D147 P152 K153 L154F135-L150 HydrophobicContact CD2-CB 4.14Å; F135-L150 HydrophobicContact CE2-CB 4.13Å; F135-L150 HydrophobicContact CE2-CD1 4.36Å; L138-L150 HydrophobicContact CB-CD1 4.09Å; L138-L150 HydrophobicContact CB-CD2 4.02Å; L138-L150 HydrophobicContact CB-CG 4.44Å; Q139-L150 HydrophobicContact CB-CD1 4.31Å; Q139-L150 HydrophobicContact CG-CD1 3.56Å; F142-L150 HydrophobicContact CB-CD2 4.47Å; A145-L150 HydrophobicContact CB-CD2 3.66Å; A145-L150 HydrophobicContact CB-CG 4.13Å; G146-L150 PolarHBondContact O-N 3.49Å; D147-L150 PolarHBondContact O-N 3.47Å; L150-P152 VanDerWaalsContact C-CD 3.46Å; L150-P152 VanDerWaalsContact C-N 3.31Å; L150-K153 WeakPolarHBondContact O-CA 3.4Å; L150-K153 WeakPolarHBondContact O-CB 3.45Å; L150-K153 PolarHBondContact O-N 3.39Å; L150-L154 PolarHBondContact O-N 3.14Å
151V95.2Very high94.4Very high69 Ų6958.7 Ų58.742%0.41836%0.363SS..G310 helixtrans-52.2-39.9-179.21680000113.4D147 K153 L154D147-V151 VanDerWaalsContact O-CG2 3.29Å; D147-V151 WeakPolarHBondContact O-CG2 3.29Å; D147-V151 PolarHBondContact O-N 3.35Å; V151-K153 PolarHBondContact O-N 2.98Å; V151-L154 WeakPolarHBondContact O-CG 3.49Å
152P92.7Very high94.6Very high90 Ų9057.1 Ų57.158%0.58435%0.351SS*.G310 helixtrans-67.8-14.7175.2-22.735.2000114.7A148 L150A148-P152 WeakPolarHBondContact O-CD 3.5Å; L150-P152 VanDerWaalsContact C-CD 3.46Å; L150-P152 VanDerWaalsContact C-N 3.31Å
153K92.6Very high94.8Very high70 Ų7057.6 Ų57.630%0.30435%0.352SS..G310 helixtrans-101.4-3.7-174.4-57.8173.5-174.6164.20113.6R134 L138 D149 L150 V151R134-K153 PolarHBondContact NH2-O 3.01Å; R134-K153 VanDerWaalsContact NH2-O 3.1Å; L138-K153 HydrophobicContact CD1-CB 3.7Å; D149-K153 VanDerWaalsContact O-CE 3.24Å; D149-K153 WeakPolarHBondContact O-CE 3.35Å; D149-K153 PolarHBondContact O-NZ 3.03Å; L150-K153 WeakPolarHBondContact O-CA 3.4Å; L150-K153 WeakPolarHBondContact O-CB 3.45Å; L150-K153 PolarHBondContact O-N 3.39Å; V151-K153 PolarHBondContact O-N 2.98Å
154L95.7Very high95.1Very high13 Ų1351.9 Ų51.97%0.06832%0.315CS..SBendtrans-64.9-49.1-176.5-56.3-171.5000111.9R131 R134 F135 L138 L150 V151R131-L154 HydrophobicContact CB-CB 4.13Å; R131-L154 HydrophobicContact CB-CD1 4.29Å; R131-L154 HydrophobicContact CG-CB 4.16Å; R134-L154 HydrophobicContact CB-CD2 4.4Å; R134-L154 WeakPolarHBondContact CG-O 3.46Å; R134-L154 PolarHBondContact NE-O 2.92Å; F135-L154 HydrophobicContact CB-CD1 4.12Å; F135-L154 HydrophobicContact CB-CD2 3.47Å; F135-L154 VanDerWaalsContact CB-CD2 3.47Å; F135-L154 HydrophobicContact CB-CG 4.44Å; F135-L154 HydrophobicContact CD2-CD2 3.89Å; F135-L154 HydrophobicContact CG-CD2 4.15Å; L138-L154 HydrophobicContact CD1-CD2 3.91Å; L150-L154 PolarHBondContact O-N 3.14Å; V151-L154 WeakPolarHBondContact O-CG 3.49Å
155S94.7Very high95.5Very high18 Ų1848.6 Ų48.613%0.12628%0.277CS..SBendtrans-146.9150.7171.958.80000109N86 A87 F127 R131N86-S155 WeakPolarHBondContact OD1-CA 3.4Å; A87-S155 WeakPolarHBondContact O-CB 3.29Å; F127-S155 WeakPolarHBondContact CZ-OG 3.18Å; R131-S155 PolarHBondContact NH1-OG 3.19Å
156R93.5Very high95.7Very high68 Ų6848.4 Ų48.426%0.25727%0.271SS..  trans-126.4125.3-175-61.3174-57.1-74-0.7109.3N86 D183N86-R156 PolarHBondContact ND2-O 3.49Å; N86-R156 PolarHBondContact OD1-N 2.99Å; N86-R156 PolarHBondContact OD1-O 3.45Å; R156-D183 IonicContact NE-OD1 3.05Å; R156-D183 PolarHBondContact NE-OD1 3.32Å; R156-D183 VanDerWaalsContact NE-OD1 3.15Å; R156-D183 IonicContact NH2-OD1 3.49Å; R156-D183 IonicContact NH2-OD2 3.6Å
157N93.8Very high95.8Very high116 Ų11647.1 Ų47.162%0.6226%0.256SS*.  trans-75.9150.3162.4-67.2-31.9000109T88T88-N157 PolarHBondContact OG1-OD1 2.93Å
158Y95.6Very high95.7Very high24 Ų2443.8 Ų43.89%0.09424%0.243CC..  trans-70.7138.7178.3-55.9-49.5000110.8T88 Q101 T103 K160 E161 T181 M182 D183 M188T88-Y158 HydrophobicContact CG2-CD2 4.06Å; T88-Y158 HydrophobicContact CG2-CE2 3.55Å; Q101-Y158 PolarHBondContact NE2-OH 2.79Å; T103-Y158 WeakPolarHBondContact CG2-OH 3.43Å; Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.45Å; Y158-E161 HydrophobicContact CD2-CG 3.91Å; Y158-E161 WeakPolarHBondContact CD2-OE1 3.37Å; Y158-E161 WeakPolarHBondContact CD2-OE2 3.37Å; Y158-E161 HydrophobicContact CG-CG 4.19Å; Y158-T181 HydrophobicContact CD1-CG2 3.44Å; Y158-T181 VanDerWaalsContact CD1-CG2 3.44Å; Y158-T181 HydrophobicContact CD2-CG2 3.49Å; Y158-T181 VanDerWaalsContact CD2-CG2 3.49Å; Y158-T181 HydrophobicContact CE1-CG2 3.61Å; Y158-T181 HydrophobicContact CE2-CG2 3.63Å; Y158-T181 HydrophobicContact CG-CG2 3.36Å; Y158-M182 CarbonylContact C-O 3.58Å; Y158-M182 WeakPolarHBondContact CA-O 3.13Å; Y158-D183 HydrophobicContact CD1-CB 3.67Å; Y158-D183 HydrophobicContact CE1-CB 3.75Å; Y158-M188 HydrophobicContact CE1-CE 4.41Å
159L95.6Very high95.5Very high72 Ų7243.7 Ų43.738%0.37724%0.235SC..SBendtrans-64.2-41.4-178.5-64.8179.2000111.2M182 A255L159-M182 HydrophobicContact CB-CB 4.3Å; L159-M182 HydrophobicContact CB-CG 4.06Å; L159-M182 HydrophobicContact CD1-CG 4.04Å; L159-M182 HydrophobicContact CG-CG 4.48Å; L159-M182 PolarHBondContact N-O 3.09Å; L159-A255 HydrophobicContact CB-CB 4.44Å
160K97.3Very high95.4Very high21 Ų2146.8 Ų46.89%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-156.4149170.6-174.4164.5169.469.10109.9Y158 M182 D248 E251 W252 A255Y158-K160 VanDerWaalsContact C-N 3.33Å; Y158-K160 PolarHBondContact O-N 3.45Å; K160-M182 PolarHBondContact O-N 2.8Å; K160-D248 IonicContact NZ-OD1 3.44Å; K160-D248 PolarHBondContact NZ-OD1 2.85Å; K160-E251 HydrophobicContact CD-CB 3.68Å; K160-E251 IonicContact NZ-OE2 2.86Å; K160-E251 PolarHBondContact NZ-OE2 3.17Å; K160-W252 HydrophobicContact CB-CD2 4.48Å; K160-W252 HydrophobicContact CB-CE3 4.09Å; K160-W252 HydrophobicContact CB-CH2 4.18Å; K160-W252 HydrophobicContact CB-CZ3 3.94Å; K160-W252 HydrophobicContact CD-CB 4.34Å; K160-W252 HydrophobicContact CD-CD2 3.57Å; K160-W252 HydrophobicContact CD-CE3 3.97Å; K160-W252 HydrophobicContact CD-CG 3.73Å; K160-W252 HydrophobicContact CD-CZ2 4.39Å; K160-W252 VanDerWaalsContact CE-NE1 3.27Å; K160-W252 HydrophobicContact CG-CD2 3.94Å; K160-W252 HydrophobicContact CG-CE3 4.06Å; K160-W252 HydrophobicContact CG-CH2 4.03Å; K160-W252 HydrophobicContact CG-CZ2 3.93Å; K160-W252 HydrophobicContact CG-CZ3 4.1Å; K160-A255 HydrophobicContact CB-CB 4.24Å
161E98.1Very high95.3Very high23 Ų2349.3 Ų49.311%0.10726%0.255CS..EExtended strand (participates in β ladder)trans-136.2157168-52.3-167.18700110.1M1 Q90 K93 Y158 W179 F180 T181M1-E161 HydrophobicContact CE-CB 4.4Å; Q90-E161 PolarHBondContact NE2-OE2 2.84Å; Q90-E161 PolarHBondContact OE1-OE2 2.83Å; K93-E161 IonicContact NZ-OE1 3.84Å; K93-E161 PolarHBondContact NZ-OE1 3.25Å; K93-E161 IonicContact NZ-OE2 3.78Å; K93-E161 PolarHBondContact NZ-OE2 2.77Å; Y158-E161 HydrophobicContact CD2-CG 3.91Å; Y158-E161 WeakPolarHBondContact CD2-OE1 3.37Å; Y158-E161 WeakPolarHBondContact CD2-OE2 3.37Å; Y158-E161 HydrophobicContact CG-CG 4.19Å; E161-W179 HydrophobicContact CB-CH2 4.28Å; E161-W179 HydrophobicContact CB-CZ2 3.5Å; E161-W179 HydrophobicContact CG-CZ2 4.47Å; E161-W179 PolarHBondContact OE1-NE1 2.99Å; E161-F180 WeakPolarHBondContact CA-O 3.34Å; E161-F180 WeakPolarHBondContact CB-O 3.49Å; E161-T181 HydrophobicContact CG-CG2 4.01Å; E161-T181 WeakPolarHBondContact OE1-CB 3.47Å; E161-T181 WeakPolarHBondContact OE1-CG2 3.49Å; E161-T181 PolarHBondContact OE1-OG1 2.86Å
162G98.1Very high95Very high10 Ų1051.9 Ų51.910%0.10327%0.271CS..EExtended strand (participates in β ladder)trans157.1171.8179.300000112.3F180G162-F180 PolarHBondContact N-O 3.06Å; G162-F180 VanDerWaalsContact N-O 3.09Å; G162-F180 PolarHBondContact O-N 2.99Å
163Y98.6Very high95.1Very high78 Ų7850.7 Ų50.731%0.30626%0.258SS..EExtended strand (participates in β ladder)trans-77.6142.9173.6-74.9-75.7000111.1K177 R178 W179 P193 W226Y163-K177 HydrophobicContact CD1-CD 4.1Å; Y163-K177 VanDerWaalsContact CD1-CE 3.45Å; Y163-K177 HydrophobicContact CD1-CG 3.63Å; Y163-K177 HydrophobicContact CE1-CG 4.31Å; Y163-K177 HydrophobicContact CG-CD 4.38Å; Y163-K177 HydrophobicContact CG-CG 4.21Å; Y163-R178 WeakPolarHBondContact CA-O 3.25Å; Y163-R178 WeakPolarHBondContact CD1-O 3.28Å; Y163-W179 HydrophobicContact CD1-CB 4.31Å; Y163-W179 HydrophobicContact CD1-CE3 4.41Å; Y163-W179 AromaticContact CD2-CE3 3.76Å; Y163-W179 HydrophobicContact CD2-CE3 3.76Å; Y163-W179 HydrophobicContact CD2-CZ3 4.04Å; Y163-W179 HydrophobicContact CE1-CB 3.99Å; Y163-W179 HydrophobicContact CE1-CE3 4.32Å; Y163-W179 AromaticContact CE2-CE3 3.66Å; Y163-W179 HydrophobicContact CE2-CE3 3.66Å; Y163-W179 HydrophobicContact CE2-CZ3 4.02Å; Y163-W179 HydrophobicContact CG-CE3 4.14Å; Y163-W179 AromaticContact CZ-CE3 3.95Å; Y163-P193 WeakPolarHBondContact OH-CD 3.31Å; Y163-W226 WeakPolarHBondContact O-CZ3 3.29Å
164M98.7Very high95.1Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-140.8157.2162-66.6-175-73.500108.3K177 R178 F180 I230 F241 A242 C243 W252 F256M164-K177 WeakPolarHBondContact O-CA 3.36Å; M164-R178 PolarHBondContact N-O 2.81Å; M164-R178 PolarHBondContact O-N 3.34Å; M164-F180 HydrophobicContact CB-CD2 3.73Å; M164-F180 HydrophobicContact CB-CE2 3.62Å; M164-F180 HydrophobicContact CB-CZ 4.44Å; M164-F180 HydrophobicContact CE-CB 3.76Å; M164-F180 HydrophobicContact CE-CD1 3.7Å; M164-F180 HydrophobicContact CE-CD2 3.69Å; M164-F180 HydrophobicContact CE-CE1 4.11Å; M164-F180 HydrophobicContact CE-CE2 4.12Å; M164-F180 HydrophobicContact CE-CG 3.44Å; M164-F180 VanDerWaalsContact CE-CG 3.44Å; M164-F180 HydrophobicContact CE-CZ 4.29Å; M164-F180 HydrophobicContact CG-CD2 4.34Å; M164-I230 HydrophobicContact SD-CD1 4.35Å; M164-F241 HydrophobicContact CB-CB 4.48Å; M164-F241 HydrophobicContact CE-CD2 4.25Å; M164-F241 HydrophobicContact CE-CG 4.44Å; M164-F241 HydrophobicContact SD-CB 3.97Å; M164-F241 HydrophobicContact SD-CG 4.48Å; M164-A242 CarbonylContact C-O 3.59Å; M164-A242 VanDerWaalsContact CA-O 3.23Å; M164-A242 WeakPolarHBondContact CA-O 3.26Å; M164-A242 VanDerWaalsContact CB-O 3.29Å; M164-A242 WeakPolarHBondContact CB-O 3.5Å; M164-C243 VanDerWaalsContact SD-SG 3.62Å; M164-W252 HydrophobicContact CE-CD2 3.66Å; M164-W252 HydrophobicContact CE-CE3 3.93Å; M164-W252 HydrophobicContact CE-CG 4.19Å; M164-W252 HydrophobicContact CE-CH2 4.12Å; M164-W252 HydrophobicContact CE-CZ2 3.83Å; M164-W252 HydrophobicContact CE-CZ3 4.14Å; M164-W252 HydrophobicContact SD-CB 4.37Å; M164-W252 VanDerWaalsContact SD-CD1 3.51Å; M164-W252 HydrophobicContact SD-CD2 3.8Å; M164-W252 HydrophobicContact SD-CG 3.67Å; M164-F256 HydrophobicContact CE-CZ 4.33Å
165E98.4Very high95.2Very high14 Ų1450 Ų507%0.06527%0.269CS..EExtended strand (participates in β ladder)trans-86150.1163.4-51.7-171.3119.200110.4F175 R176 H225 W226 F241 A242E165-F175 HydrophobicContact CB-CB 4.08Å; E165-F175 HydrophobicContact CB-CD1 3.87Å; E165-F175 HydrophobicContact CB-CG 4.47Å; E165-R176 WeakPolarHBondContact CA-O 3.5Å; E165-H225 IonicContact OE1-ND1 2.77Å; E165-H225 PolarHBondContact OE1-ND1 3.46Å; E165-H225 PolarHBondContact OE2-N 2.93Å; E165-W226 HydrophobicContact CG-CB 4.31Å; E165-W226 HydrophobicContact CG-CD2 3.85Å; E165-W226 HydrophobicContact CG-CE3 3.94Å; E165-W226 HydrophobicContact CG-CG 4.03Å; E165-W226 PolarHBondContact OE2-N 3.02Å; E165-F241 CarbonylContact O-C 3.5Å; E165-F241 WeakPolarHBondContact O-CA 3.48Å; E165-A242 HydrophobicContact CB-CB 3.96Å; E165-A242 HydrophobicContact CG-CB 4.46Å; E165-A242 PolarHBondContact N-O 3.25Å; E165-A242 PolarHBondContact O-N 3.49Å
166K97.9Very high95.4Very high25 Ų2557 Ų5711%0.10929%0.293CS..EExtended strand (participates in β ladder)trans-140.8150.317266.9174.1-56.2-59.60112.3F175 R176 R178 F180 Y189 F241K166-F175 CarbonylContact O-C 3.59Å; K166-F175 WeakPolarHBondContact O-CA 3.3Å; K166-R176 PolarHBondContact N-O 3.24Å; K166-R176 PolarHBondContact O-N 3.41Å; K166-R178 HydrophobicContact CD-CG 4.01Å; K166-R178 HydrophobicContact CG-CG 4.07Å; K166-F180 HydrophobicContact CB-CZ 4.05Å; K166-F180 HydrophobicContact CD-CZ 3.83Å; K166-F180 HydrophobicContact CG-CZ 4.19Å; K166-Y189 HydrophobicContact CD-CD1 4.23Å; K166-Y189 HydrophobicContact CD-CD2 3.81Å; K166-Y189 HydrophobicContact CD-CE1 4.32Å; K166-Y189 HydrophobicContact CD-CE2 3.94Å; K166-Y189 HydrophobicContact CD-CG 3.97Å; K166-F241 HydrophobicContact CB-CD1 3.71Å; K166-F241 HydrophobicContact CB-CE1 4.01Å
167T96.9Very high95.6Very high9 Ų958.4 Ų58.46%0.05530%0.301CS..  trans-96.6175.7168.5-175.50000111.9Q171 E173 F175 L240T167-Q171 HydrophobicContact CG2-CB 4.25Å; T167-Q171 HydrophobicContact CG2-CG 4.29Å; T167-E173 PolarHBondContact OG1-O 2.96Å; T167-F175 HydrophobicContact CG2-CE1 4.4Å; T167-F175 HydrophobicContact CG2-CE2 4.12Å; T167-F175 HydrophobicContact CG2-CZ 3.92Å; T167-L240 HydrophobicContact CG2-CB 3.98Å; T167-L240 HydrophobicContact CG2-CD1 4.23Å; T167-L240 HydrophobicContact CG2-CG 4.32Å
168G93.2Very high95.8Very high19 Ų1955.3 Ų55.320%0.19628%0.28CS..  trans-82.1-177.8174.900000113.1K170 Q171 E173G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 2.79Å; G168-Q171 PolarHBondContact O-N 3.09Å; G168-E173 VanDerWaalsContact CA-OE2 3.26Å; G168-E173 WeakPolarHBondContact CA-OE2 3.39Å
169P91.3Very high96Very high81 Ų8155.2 Ų55.253%0.52628%0.28SS..THydrogen-bonded Turntrans-63.9-29.3-175.6-19.632.3000113.8Q171P169-Q171 VanDerWaalsContact C-N 3.28Å
170K91.1Very high96.1Very high162 Ų16251.8 Ų51.870%0.70426%0.262SS*.THydrogen-bonded Turntrans-80.8-11.5179.2-60.8-179178.5-177.70112.7G168 T172 E173G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 2.79Å; K170-T172 PolarHBondContact O-N 2.89Å; K170-E173 PolarHBondContact N-OE1 3.15Å; K170-E173 PolarHBondContact N-OE2 2.8Å
171Q91.4Very high96.2Very high54 Ų5450.9 Ų50.925%0.25226%0.258SS..SBendtrans63.15.8-178-55.2169.814.600114.4T167 G168 P169 E173 L240T167-Q171 HydrophobicContact CG2-CB 4.25Å; T167-Q171 HydrophobicContact CG2-CG 4.29Å; G168-Q171 PolarHBondContact O-N 3.09Å; P169-Q171 VanDerWaalsContact C-N 3.28Å; Q171-E173 PolarHBondContact N-OE2 2.89Å; Q171-E173 VanDerWaalsContact N-OE2 3.1Å; Q171-L240 HydrophobicContact CB-CD1 4.1Å; Q171-L240 HydrophobicContact CG-CD1 3.94Å; Q171-L240 HydrophobicContact CG-CG 4.29Å
172T90Very high96.1Very high122 Ų12249.8 Ų49.875%0.74825%0.253SS*.  trans-104-12.3174.460.70000111.6K170K170-T172 PolarHBondContact O-N 2.89Å
173E93.7Very high96Very high65 Ų6550 Ų5030%0.30425%0.252SS..SBendtrans-68.2145.4172.7-55.494153.600110.2T167 G168 K170 Q171T167-E173 PolarHBondContact OG1-O 2.96Å; G168-E173 VanDerWaalsContact CA-OE2 3.26Å; G168-E173 WeakPolarHBondContact CA-OE2 3.39Å; K170-E173 PolarHBondContact N-OE1 3.15Å; K170-E173 PolarHBondContact N-OE2 2.8Å; Q171-E173 PolarHBondContact N-OE2 2.89Å; Q171-E173 VanDerWaalsContact N-OE2 3.1Å
174G94.3Very high95.8Very high52 Ų5248.5 Ų48.554%0.53625%0.249SC..PPolyproline II helixtrans-57.9142.3177.900000112.4
175F97.6Very high95.7Very high17 Ų1748.8 Ų48.88%0.07525%0.25CS..PPolyproline II helixtrans-65.1142176-82.8-108.2000110.7E165 K166 T167 F217 T221 Q222 G223 H224 L240 A242E165-F175 HydrophobicContact CB-CB 4.08Å; E165-F175 HydrophobicContact CB-CD1 3.87Å; E165-F175 HydrophobicContact CB-CG 4.47Å; K166-F175 CarbonylContact O-C 3.59Å; K166-F175 WeakPolarHBondContact O-CA 3.3Å; T167-F175 HydrophobicContact CG2-CE1 4.4Å; T167-F175 HydrophobicContact CG2-CE2 4.12Å; T167-F175 HydrophobicContact CG2-CZ 3.92Å; F175-F217 HydrophobicContact CE1-CE1 4.28Å; F175-F217 HydrophobicContact CE1-CZ 4.28Å; F175-F217 HydrophobicContact CZ-CE1 4.35Å; F175-T221 HydrophobicContact CE2-CG2 3.86Å; F175-T221 HydrophobicContact CZ-CG2 3.73Å; F175-Q222 WeakPolarHBondContact CE2-O 3.27Å; F175-G223 WeakPolarHBondContact CB-O 3.18Å; F175-H224 HydrophobicContact CB-CB 4.41Å; F175-H224 HydrophobicContact CD1-CB 3.85Å; F175-H224 HydrophobicContact CD2-CB 3.82Å; F175-H224 HydrophobicContact CE1-CB 4Å; F175-H224 HydrophobicContact CE2-CB 3.97Å; F175-H224 HydrophobicContact CG-CB 3.76Å; F175-H224 HydrophobicContact CZ-CB 4.06Å; F175-L240 HydrophobicContact CE1-CB 4.44Å; F175-L240 HydrophobicContact CZ-CB 4.18Å; F175-A242 HydrophobicContact CD1-CB 4.48Å; F175-A242 HydrophobicContact CE1-CB 4.49Å
176R97.8Very high95.6Very high164 Ų16449.7 Ų49.762%0.61925%0.253SS*.EExtended strand (participates in β ladder)trans-131.7128.6178.7-59.8-174.3179.9-103.87.6110.6E165 K166 R178E165-R176 WeakPolarHBondContact CA-O 3.5Å; K166-R176 PolarHBondContact N-O 3.24Å; K166-R176 PolarHBondContact O-N 3.41Å; R176-R178 VanDerWaalsContact CD-NH2 3.28Å; R176-R178 PolarHBondContact O-N 2.64Å
177K98.2Very high95.6Very high98 Ų9848.5 Ų48.543%0.42625%0.248SC..EExtended strand (participates in β ladder)trans-60129.2170.7-172.9170.9-177.5170.30111Y163 M164 W226Y163-K177 HydrophobicContact CD1-CD 4.1Å; Y163-K177 VanDerWaalsContact CD1-CE 3.45Å; Y163-K177 HydrophobicContact CD1-CG 3.63Å; Y163-K177 HydrophobicContact CE1-CG 4.31Å; Y163-K177 HydrophobicContact CG-CD 4.38Å; Y163-K177 HydrophobicContact CG-CG 4.21Å; M164-K177 WeakPolarHBondContact O-CA 3.36Å; K177-W226 HydrophobicContact CD-CH2 4.25Å; K177-W226 HydrophobicContact CD-CZ2 4.16Å; K177-W226 HydrophobicContact CG-CH2 4.49Å
178R98.5Very high95.6Very high51 Ų5148.1 Ų48.119%0.19225%0.245CC..EExtended strand (participates in β ladder)trans-139.8147.1177.9-64.8-66.6178.4-1015.5109.8Y163 M164 K166 R176 F180 Y189 F190Y163-R178 WeakPolarHBondContact CA-O 3.25Å; Y163-R178 WeakPolarHBondContact CD1-O 3.28Å; M164-R178 PolarHBondContact N-O 2.81Å; M164-R178 PolarHBondContact O-N 3.34Å; K166-R178 HydrophobicContact CD-CG 4.01Å; K166-R178 HydrophobicContact CG-CG 4.07Å; R176-R178 VanDerWaalsContact CD-NH2 3.28Å; R176-R178 PolarHBondContact O-N 2.64Å; R178-F180 HydrophobicContact CB-CD2 4.15Å; R178-F180 HydrophobicContact CB-CE2 3.69Å; R178-F180 HydrophobicContact CB-CZ 4.39Å; R178-F180 VanDerWaalsContact O-CD2 3.31Å; R178-F180 WeakPolarHBondContact O-CD2 3.32Å; R178-Y189 HydrophobicContact CG-CD2 4.35Å; R178-F190 VanDerWaalsContact CA-O 3.3Å; R178-F190 WeakPolarHBondContact CA-O 3.17Å; R178-F190 WeakPolarHBondContact CB-O 3.48Å; R178-F190 WeakPolarHBondContact CD-O 3.48Å
179W98.5Very high95.9Very high23 Ų2348.5 Ų48.59%0.08724%0.241CC..EExtended strand (participates in β ladder)trans-79.6124.1168.3179.1-93.4000108.8M1 E161 Y163 T181 Y189 F190 P193M1-W179 HydrophobicContact CE-CH2 4.15Å; M1-W179 HydrophobicContact CE-CZ2 4.27Å; M1-W179 HydrophobicContact SD-CH2 4.06Å; E161-W179 HydrophobicContact CB-CH2 4.28Å; E161-W179 HydrophobicContact CB-CZ2 3.5Å; E161-W179 HydrophobicContact CG-CZ2 4.47Å; E161-W179 PolarHBondContact OE1-NE1 2.99Å; Y163-W179 HydrophobicContact CD1-CB 4.31Å; Y163-W179 HydrophobicContact CD1-CE3 4.41Å; Y163-W179 AromaticContact CD2-CE3 3.76Å; Y163-W179 HydrophobicContact CD2-CE3 3.76Å; Y163-W179 HydrophobicContact CD2-CZ3 4.04Å; Y163-W179 HydrophobicContact CE1-CB 3.99Å; Y163-W179 HydrophobicContact CE1-CE3 4.32Å; Y163-W179 AromaticContact CE2-CE3 3.66Å; Y163-W179 HydrophobicContact CE2-CE3 3.66Å; Y163-W179 HydrophobicContact CE2-CZ3 4.02Å; Y163-W179 HydrophobicContact CG-CE3 4.14Å; Y163-W179 AromaticContact CZ-CE3 3.95Å; W179-T181 PolarHBondContact NE1-OG1 3.46Å; W179-Y189 CarbonylContact O-C 3.56Å; W179-Y189 VanDerWaalsContact O-CA 3.25Å; W179-Y189 WeakPolarHBondContact O-CA 3.35Å; W179-F190 HydrophobicContact CB-CB 4.4Å; W179-F190 PolarHBondContact N-O 3.47Å; W179-F190 PolarHBondContact O-N 3.35Å; W179-P193 HydrophobicContact CB-CB 4.47Å; W179-P193 HydrophobicContact CB-CG 4.05Å; W179-P193 HydrophobicContact CD2-CB 3.84Å; W179-P193 HydrophobicContact CD2-CG 3.65Å; W179-P193 HydrophobicContact CE3-CB 4.35Å; W179-P193 HydrophobicContact CE3-CG 3.74Å; W179-P193 HydrophobicContact CG-CB 3.87Å; W179-P193 HydrophobicContact CG-CG 3.79Å; W179-P193 HydrophobicContact CZ3-CG 4.4Å
180F98.7Very high96.2Very high0 Ų044.7 Ų44.70%022%0.216CC..EExtended strand (participates in β ladder)trans-105.8145.3177.7-74.3-102.3000111.1E161 G162 M164 K166 R178 L187 M188 Y189 F241 W252E161-F180 WeakPolarHBondContact CA-O 3.34Å; E161-F180 WeakPolarHBondContact CB-O 3.49Å; G162-F180 PolarHBondContact N-O 3.06Å; G162-F180 VanDerWaalsContact N-O 3.09Å; G162-F180 PolarHBondContact O-N 2.99Å; M164-F180 HydrophobicContact CB-CD2 3.73Å; M164-F180 HydrophobicContact CB-CE2 3.62Å; M164-F180 HydrophobicContact CB-CZ 4.44Å; M164-F180 HydrophobicContact CE-CB 3.76Å; M164-F180 HydrophobicContact CE-CD1 3.7Å; M164-F180 HydrophobicContact CE-CD2 3.69Å; M164-F180 HydrophobicContact CE-CE1 4.11Å; M164-F180 HydrophobicContact CE-CE2 4.12Å; M164-F180 HydrophobicContact CE-CG 3.44Å; M164-F180 VanDerWaalsContact CE-CG 3.44Å; M164-F180 HydrophobicContact CE-CZ 4.29Å; M164-F180 HydrophobicContact CG-CD2 4.34Å; K166-F180 HydrophobicContact CB-CZ 4.05Å; K166-F180 HydrophobicContact CD-CZ 3.83Å; K166-F180 HydrophobicContact CG-CZ 4.19Å; R178-F180 HydrophobicContact CB-CD2 4.15Å; R178-F180 HydrophobicContact CB-CE2 3.69Å; R178-F180 HydrophobicContact CB-CZ 4.39Å; R178-F180 VanDerWaalsContact O-CD2 3.31Å; R178-F180 WeakPolarHBondContact O-CD2 3.32Å; F180-L187 HydrophobicContact CB-CD1 4.28Å; F180-L187 HydrophobicContact CD1-CD1 3.76Å; F180-L187 HydrophobicContact CD1-CD2 4.04Å; F180-L187 HydrophobicContact CD1-CG 3.93Å; F180-L187 HydrophobicContact CE1-CD2 4.17Å; F180-L187 HydrophobicContact CE1-CG 4.45Å; F180-M188 CarbonylContact C-O 3.52Å; F180-M188 VanDerWaalsContact CA-O 3.28Å; F180-M188 WeakPolarHBondContact CA-O 3.41Å; F180-Y189 AromaticContact CE1-CD1 3.98Å; F180-Y189 HydrophobicContact CE1-CD1 3.98Å; F180-Y189 HydrophobicContact CE1-CG 4.1Å; F180-Y189 HydrophobicContact CZ-CG 4.39Å; F180-F241 HydrophobicContact CE1-CD1 4.16Å; F180-F241 AromaticContact CE1-CE1 3.8Å; F180-F241 HydrophobicContact CE1-CE1 3.8Å; F180-F241 HydrophobicContact CE1-CE2 4.4Å; F180-F241 AromaticContact CE1-CZ 3.93Å; F180-F241 HydrophobicContact CE1-CZ 3.93Å; F180-F241 AromaticContact CZ-CD1 3.87Å; F180-F241 HydrophobicContact CZ-CD1 3.87Å; F180-F241 AromaticContact CZ-CE1 3.86Å; F180-F241 HydrophobicContact CZ-CE1 3.86Å; F180-F241 HydrophobicContact CZ-CG 4.48Å; F180-F241 HydrophobicContact CZ-CZ 4.44Å; F180-W252 HydrophobicContact CB-CH2 3.53Å; F180-W252 HydrophobicContact CB-CZ2 3.77Å; F180-W252 HydrophobicContact CB-CZ3 4.37Å
181T98.4Very high96.4Very high2 Ų243.3 Ų43.31%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-133.9120.9174-60.20000108.8Y158 E161 W179 M188Y158-T181 HydrophobicContact CD1-CG2 3.44Å; Y158-T181 VanDerWaalsContact CD1-CG2 3.44Å; Y158-T181 HydrophobicContact CD2-CG2 3.49Å; Y158-T181 VanDerWaalsContact CD2-CG2 3.49Å; Y158-T181 HydrophobicContact CE1-CG2 3.61Å; Y158-T181 HydrophobicContact CE2-CG2 3.63Å; Y158-T181 HydrophobicContact CG-CG2 3.36Å; E161-T181 HydrophobicContact CG-CG2 4.01Å; E161-T181 WeakPolarHBondContact OE1-CB 3.47Å; E161-T181 WeakPolarHBondContact OE1-CG2 3.49Å; E161-T181 PolarHBondContact OE1-OG1 2.86Å; W179-T181 PolarHBondContact NE1-OG1 3.46Å; T181-M188 HydrophobicContact CG2-CE 3.7Å; T181-M188 PolarHBondContact N-O 2.84Å; T181-M188 PolarHBondContact O-N 3.44Å
182M97.9Very high96.6Very high0 Ų044.2 Ų44.20%022%0.217CC..EExtended strand (participates in β ladder)trans-98100.8174-174.364.317000110.1Y158 L159 K160 D184 L187 I204 W252 F256 A259Y158-M182 CarbonylContact C-O 3.58Å; Y158-M182 WeakPolarHBondContact CA-O 3.13Å; L159-M182 HydrophobicContact CB-CB 4.3Å; L159-M182 HydrophobicContact CB-CG 4.06Å; L159-M182 HydrophobicContact CD1-CG 4.04Å; L159-M182 HydrophobicContact CG-CG 4.48Å; L159-M182 PolarHBondContact N-O 3.09Å; K160-M182 PolarHBondContact O-N 2.8Å; M182-D184 WeakPolarHBondContact CE-O 3.36Å; M182-L187 HydrophobicContact CB-CD1 4.35Å; M182-L187 HydrophobicContact SD-CB 3.99Å; M182-L187 HydrophobicContact SD-CD1 4.21Å; M182-I204 HydrophobicContact CE-CB 3.95Å; M182-I204 HydrophobicContact CE-CG1 3.77Å; M182-I204 HydrophobicContact CE-CG2 4.29Å; M182-I204 HydrophobicContact SD-CG1 4.2Å; M182-W252 HydrophobicContact CB-CZ3 4.02Å; M182-F256 HydrophobicContact CE-CD1 4.07Å; M182-F256 HydrophobicContact CE-CE1 4.48Å; M182-F256 HydrophobicContact SD-CD1 4.27Å; M182-F256 HydrophobicContact SD-CE1 4.09Å; M182-A259 HydrophobicContact CE-CB 3.8Å
183D95.5Very high97Very high14 Ų1439.3 Ų39.38%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-99.997.6173-175.58000109.4R156 Y158 R185 R186 M188R156-D183 IonicContact NE-OD1 3.05Å; R156-D183 PolarHBondContact NE-OD1 3.32Å; R156-D183 VanDerWaalsContact NE-OD1 3.15Å; R156-D183 IonicContact NH2-OD1 3.49Å; R156-D183 IonicContact NH2-OD2 3.6Å; Y158-D183 HydrophobicContact CD1-CB 3.67Å; Y158-D183 HydrophobicContact CE1-CB 3.75Å; D183-R185 PolarHBondContact O-N 2.79Å; D183-R186 PolarHBondContact N-O 2.8Å; D183-R186 WeakPolarHBondContact O-CB 3.3Å; D183-R186 PolarHBondContact O-N 3.4Å; D183-M188 HydrophobicContact CB-CE 3.73Å
184D94.4Very high97.2Very high47 Ų4737.6 Ų37.625%0.25118%0.18SC..THydrogen-bonded Turntrans54.7-101.1-176.5-167.834.8000112.8M182 R262M182-D184 WeakPolarHBondContact CE-O 3.36Å; D184-R262 VanDerWaalsContact CG-NH2 3.27Å; D184-R262 IonicContact OD1-CZ 2.67Å; D184-R262 VanDerWaalsContact OD1-CZ 3.23Å; D184-R262 IonicContact OD1-NH1 2.87Å; D184-R262 PolarHBondContact OD1-NH1 2.64Å; D184-R262 IonicContact OD1-NH2 3Å; D184-R262 PolarHBondContact OD1-NH2 2.85Å; D184-R262 IonicContact OD2-NH2 2.77Å; D184-R262 PolarHBondContact OD2-NH2 2.93Å
185R96.3Very high97.3Very high6 Ų637 Ų372%0.02316%0.164CC..THydrogen-bonded Turntrans-99.5-3.3174-65.1-171.4177.5-75.3-1.6114.4D183 F203 I204 A259 R262 P263 E268D183-R185 PolarHBondContact O-N 2.79Å; R185-F203 HydrophobicContact CB-CD2 4.15Å; R185-F203 HydrophobicContact CB-CE2 3.76Å; R185-F203 HydrophobicContact CB-CZ 4.18Å; R185-F203 CarbonylContact O-C 3.51Å; R185-F203 WeakPolarHBondContact O-CA 3.33Å; R185-I204 WeakPolarHBondContact CB-O 3.1Å; R185-I204 WeakPolarHBondContact CG-O 3.2Å; R185-I204 PolarHBondContact NH1-O 2.87Å; R185-I204 PolarHBondContact O-N 2.89Å; R185-A259 PolarHBondContact NH1-O 2.82Å; R185-R262 PolarHBondContact NH2-O 2.84Å; R185-P263 PolarHBondContact NH2-O 3.48Å; R185-P263 VanDerWaalsContact NH2-O 3.14Å; R185-E268 WeakPolarHBondContact CD-OE1 3.36Å; R185-E268 IonicContact CZ-OE2 3.07Å; R185-E268 IonicContact NE-OE1 3.23Å; R185-E268 PolarHBondContact NE-OE1 3.45Å; R185-E268 IonicContact NE-OE2 2.78Å; R185-E268 PolarHBondContact NE-OE2 2.71Å; R185-E268 IonicContact NH2-OE2 2.79Å; R185-E268 PolarHBondContact NH2-OE2 2.86Å
186R95.8Very high97.2Very high33 Ų3336.6 Ų36.613%0.12517%0.165CC..EExtended strand (participates in β ladder)trans-101.1105.4-175.5-176.1-179.8-77.2-126.4-12109.9T110 D183 M188 E201 F275T110-R186 WeakPolarHBondContact OG1-CD 3.4Å; T110-R186 PolarHBondContact OG1-NH1 2.96Å; D183-R186 PolarHBondContact N-O 2.8Å; D183-R186 WeakPolarHBondContact O-CB 3.3Å; D183-R186 PolarHBondContact O-N 3.4Å; R186-M188 HydrophobicContact CG-CG 3.9Å; R186-M188 HydrophobicContact CG-SD 4.38Å; R186-E201 IonicContact CZ-OE2 3.95Å; R186-E201 IonicContact NE-OE2 2.64Å; R186-E201 IonicContact NH1-OE2 3.15Å; R186-E201 PolarHBondContact NH1-OE2 2.97Å; R186-F275 HydrophobicContact CG-CZ 4.1Å; R186-F275 VanDerWaalsContact NH2-CE2 3.33Å
187L97.9Very high97.1Very high0 Ų031.3 Ų31.30%015%0.146CC..EExtended strand (participates in β ladder)trans-86.4118.3170.1-178.166.3000109.6F180 M182 E201 V202 I204 F241 W252 F256F180-L187 HydrophobicContact CB-CD1 4.28Å; F180-L187 HydrophobicContact CD1-CD1 3.76Å; F180-L187 HydrophobicContact CD1-CD2 4.04Å; F180-L187 HydrophobicContact CD1-CG 3.93Å; F180-L187 HydrophobicContact CE1-CD2 4.17Å; F180-L187 HydrophobicContact CE1-CG 4.45Å; M182-L187 HydrophobicContact CB-CD1 4.35Å; M182-L187 HydrophobicContact SD-CB 3.99Å; M182-L187 HydrophobicContact SD-CD1 4.21Å; L187-E201 CarbonylContact O-C 3.54Å; L187-E201 VanDerWaalsContact O-CA 3.3Å; L187-E201 WeakPolarHBondContact O-CA 3.49Å; L187-V202 HydrophobicContact CB-CB 4.27Å; L187-V202 PolarHBondContact N-O 3.1Å; L187-V202 PolarHBondContact O-N 3.29Å; L187-I204 HydrophobicContact CB-CD1 4.33Å; L187-I204 HydrophobicContact CB-CG1 4.18Å; L187-F241 HydrophobicContact CD2-CE2 3.62Å; L187-F241 HydrophobicContact CD2-CZ 3.76Å; L187-W252 HydrophobicContact CD1-CZ3 4.18Å; L187-F256 HydrophobicContact CD1-CE1 3.85Å; L187-F256 HydrophobicContact CD1-CZ 4.06Å; L187-F256 HydrophobicContact CD2-CE1 3.76Å; L187-F256 HydrophobicContact CD2-CZ 3.87Å; L187-F256 HydrophobicContact CG-CE1 4.26Å
188M97.8Very high97Very high0 Ų027.4 Ų27.40%013%0.132CC..EExtended strand (participates in β ladder)trans-112.1143.5178.1-58.6168.4-77.900109.4T110 Y158 F180 T181 D183 R186 F190 A198 E201T110-M188 VanDerWaalsContact CB-SD 3.57Å; T110-M188 HydrophobicContact CG2-SD 3.61Å; T110-M188 PolarHBondContact OG1-SD 3.01Å; T110-M188 VanDerWaalsContact OG1-SD 3.37Å; Y158-M188 HydrophobicContact CE1-CE 4.41Å; F180-M188 CarbonylContact C-O 3.52Å; F180-M188 VanDerWaalsContact CA-O 3.28Å; F180-M188 WeakPolarHBondContact CA-O 3.41Å; T181-M188 HydrophobicContact CG2-CE 3.7Å; T181-M188 PolarHBondContact N-O 2.84Å; T181-M188 PolarHBondContact O-N 3.44Å; D183-M188 HydrophobicContact CB-CE 3.73Å; R186-M188 HydrophobicContact CG-CG 3.9Å; R186-M188 HydrophobicContact CG-SD 4.38Å; M188-F190 HydrophobicContact CB-CE2 3.54Å; M188-F190 HydrophobicContact CB-CZ 3.8Å; M188-F190 HydrophobicContact SD-CZ 4.34Å; M188-A198 HydrophobicContact CB-CB 4.24Å; M188-E201 HydrophobicContact CG-CG 4.11Å
189Y97.9Very high96.8Very high27 Ų2732.3 Ų32.311%0.10615%0.15CC..EExtended strand (participates in β ladder)trans-130.7138173.558.6-96.6000113.1K166 R178 W179 F180 R199 G200 V202K166-Y189 HydrophobicContact CD-CD1 4.23Å; K166-Y189 HydrophobicContact CD-CD2 3.81Å; K166-Y189 HydrophobicContact CD-CE1 4.32Å; K166-Y189 HydrophobicContact CD-CE2 3.94Å; K166-Y189 HydrophobicContact CD-CG 3.97Å; R178-Y189 HydrophobicContact CG-CD2 4.35Å; W179-Y189 CarbonylContact O-C 3.56Å; W179-Y189 VanDerWaalsContact O-CA 3.25Å; W179-Y189 WeakPolarHBondContact O-CA 3.35Å; F180-Y189 AromaticContact CE1-CD1 3.98Å; F180-Y189 HydrophobicContact CE1-CD1 3.98Å; F180-Y189 HydrophobicContact CE1-CG 4.1Å; F180-Y189 HydrophobicContact CZ-CG 4.39Å; Y189-R199 HydrophobicContact CD2-CB 3.82Å; Y189-R199 HydrophobicContact CE2-CB 3.73Å; Y189-R199 PolarHBondContact O-N 3.3Å; Y189-G200 WeakPolarHBondContact CD1-O 3.34Å; Y189-G200 WeakPolarHBondContact CE1-O 3.48Å; Y189-G200 VanDerWaalsContact CE2-N 3.32Å; Y189-G200 PolarHBondContact N-O 3.42Å; Y189-G200 VanDerWaalsContact N-O 3.09Å; Y189-G200 WeakPolarHBondContact OH-CA 3.34Å; Y189-V202 HydrophobicContact CE1-CG2 4.25Å
190F97.6Very high96.6Very high2 Ų232 Ų321%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-125.4158.4-170.9-55.2-95.4000110.9N112 R178 W179 M188 D192 D195 F197 A198N112-F190 WeakPolarHBondContact ND2-CE1 3.08Å; N112-F190 WeakPolarHBondContact ND2-CZ 3.14Å; R178-F190 VanDerWaalsContact CA-O 3.3Å; R178-F190 WeakPolarHBondContact CA-O 3.17Å; R178-F190 WeakPolarHBondContact CB-O 3.48Å; R178-F190 WeakPolarHBondContact CD-O 3.48Å; W179-F190 HydrophobicContact CB-CB 4.4Å; W179-F190 PolarHBondContact N-O 3.47Å; W179-F190 PolarHBondContact O-N 3.35Å; M188-F190 HydrophobicContact CB-CE2 3.54Å; M188-F190 HydrophobicContact CB-CZ 3.8Å; M188-F190 HydrophobicContact SD-CZ 4.34Å; F190-D192 VanDerWaalsContact CB-O 3.23Å; F190-D192 WeakPolarHBondContact CB-O 3.16Å; F190-D195 HydrophobicContact CB-CB 4.21Å; F190-D195 HydrophobicContact CD1-CB 3.91Å; F190-F197 WeakPolarHBondContact CD1-O 3.19Å; F190-A198 HydrophobicContact CD1-CB 4.19Å; F190-A198 HydrophobicContact CE1-CB 3.71Å; F190-A198 VanDerWaalsContact CE1-N 3.26Å; F190-A198 HydrophobicContact CZ-CB 3.9Å
191K96.6Very high96.4Very high132 Ų13233.1 Ų33.157%0.57416%0.16SC*.SBendtrans-74.4-46.8170.1-179.3-173.9174.1-172.50108.7D195K191-D195 WeakPolarHBondContact CA-OD2 3.37Å; K191-D195 VanDerWaalsContact CB-OD2 3.29Å; K191-D195 WeakPolarHBondContact CB-OD2 3.37Å; K191-D195 PolarHBondContact N-OD2 3.24Å
192D96.1Very high96.3Very high73 Ų7333.3 Ų33.339%0.3916%0.161SC..SBendtrans-121.9144.4176.6-170.3-85.3000110.6F190 L194 D195F190-D192 VanDerWaalsContact CB-O 3.23Å; F190-D192 WeakPolarHBondContact CB-O 3.16Å; D192-L194 PolarHBondContact O-N 3.3Å; D192-L194 VanDerWaalsContact O-N 3.13Å; D192-L194 PolarHBondContact OD1-N 3.4Å; D192-D195 PolarHBondContact N-OD2 3Å; D192-D195 VanDerWaalsContact O-CB 3.29Å; D192-D195 WeakPolarHBondContact O-CB 3.21Å; D192-D195 PolarHBondContact O-N 2.87Å
193P97.3Very high96.2Very high19 Ų1933.7 Ų33.712%0.12316%0.163CC..THydrogen-bonded Turntrans-58.4-24.6179.2-22.332.3000114.2K93 Y163 W179K93-P193 HydrophobicContact CD-CB 4.09Å; K93-P193 HydrophobicContact CG-CB 3.83Å; Y163-P193 WeakPolarHBondContact OH-CD 3.31Å; W179-P193 HydrophobicContact CB-CB 4.47Å; W179-P193 HydrophobicContact CB-CG 4.05Å; W179-P193 HydrophobicContact CD2-CB 3.84Å; W179-P193 HydrophobicContact CD2-CG 3.65Å; W179-P193 HydrophobicContact CE3-CB 4.35Å; W179-P193 HydrophobicContact CE3-CG 3.74Å; W179-P193 HydrophobicContact CG-CB 3.87Å; W179-P193 HydrophobicContact CG-CG 3.79Å; W179-P193 HydrophobicContact CZ3-CG 4.4Å
194L97.3Very high96.3Very high30 Ų3033 Ų3316%0.15716%0.159CC..THydrogen-bonded Turntrans-98.811.4178.4-63.1178.4000113.5K93 I94 F114 D192 A196K93-L194 HydrophobicContact CG-CD2 4.06Å; I94-L194 HydrophobicContact CG1-CD2 4.29Å; F114-L194 HydrophobicContact CD1-CD2 3.76Å; F114-L194 HydrophobicContact CD2-CD2 4.1Å; F114-L194 HydrophobicContact CE1-CD2 3.63Å; F114-L194 HydrophobicContact CE2-CB 4.2Å; F114-L194 HydrophobicContact CE2-CD2 4.01Å; F114-L194 VanDerWaalsContact CE2-O 3.28Å; F114-L194 WeakPolarHBondContact CE2-O 3.36Å; F114-L194 HydrophobicContact CG-CD2 3.98Å; F114-L194 HydrophobicContact CZ-CB 4.43Å; F114-L194 HydrophobicContact CZ-CD2 3.77Å; D192-L194 PolarHBondContact O-N 3.3Å; D192-L194 VanDerWaalsContact O-N 3.13Å; D192-L194 PolarHBondContact OD1-N 3.4Å; L194-A196 PolarHBondContact O-N 3.35Å
195D97.2Very high96.5Very high38 Ų3830.8 Ų30.820%0.20315%0.147CC..  trans-59.8137.5172-83.9-21.5000110.6N112 F190 K191 D192 F197N112-D195 PolarHBondContact ND2-O 3.38Å; F190-D195 HydrophobicContact CB-CB 4.21Å; F190-D195 HydrophobicContact CD1-CB 3.91Å; K191-D195 WeakPolarHBondContact CA-OD2 3.37Å; K191-D195 VanDerWaalsContact CB-OD2 3.29Å; K191-D195 WeakPolarHBondContact CB-OD2 3.37Å; K191-D195 PolarHBondContact N-OD2 3.24Å; D192-D195 PolarHBondContact N-OD2 3Å; D192-D195 VanDerWaalsContact O-CB 3.29Å; D192-D195 WeakPolarHBondContact O-CB 3.21Å; D192-D195 PolarHBondContact O-N 2.87Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 3.05Å
196A96.4Very high96.5Very high10 Ų1030.5 Ų30.58%0.08315%0.146CC..SBendtrans-65.8-31.7178.100000113.2R46 R111 N112 L194R46-A196 HydrophobicContact CG-CB 3.71Å; R111-A196 WeakPolarHBondContact CA-O 3.41Å; R111-A196 WeakPolarHBondContact CD-O 3.47Å; N112-A196 PolarHBondContact N-O 3.1Å; L194-A196 PolarHBondContact O-N 3.35Å
197F95.6Very high96.6Very high52 Ų5233.7 Ų33.723%0.22816%0.161CC..BIsolated β-bridgetrans-134.7147.5-176.8-68.1-80.5000110.7R111 F190 D195R111-F197 HydrophobicContact CB-CD1 4.28Å; R111-F197 HydrophobicContact CB-CE1 3.82Å; R111-F197 HydrophobicContact CB-CZ 4.44Å; R111-F197 HydrophobicContact CG-CE1 4.17Å; R111-F197 HydrophobicContact CG-CZ 4.31Å; F190-F197 WeakPolarHBondContact CD1-O 3.19Å; D195-F197 VanDerWaalsContact C-N 3.31Å; D195-F197 PolarHBondContact O-N 3.05Å
198A94.8Very high96.6Very high16 Ų1639.4 Ų39.413%0.13219%0.188CC..  trans-66.6147.7173.700000110.8M188 F190 E201M188-A198 HydrophobicContact CB-CB 4.24Å; F190-A198 HydrophobicContact CD1-CB 4.19Å; F190-A198 HydrophobicContact CE1-CB 3.71Å; F190-A198 VanDerWaalsContact CE1-N 3.26Å; F190-A198 HydrophobicContact CZ-CB 3.9Å; A198-E201 HydrophobicContact CB-CG 3.81Å
199R94.4Very high96.5Very high154 Ų15440.9 Ų40.958%0.58120%0.198SC*.SBendtrans-74.1-19.9167.4-63.8-63.8-179167.4-3.9111.8Y189Y189-R199 HydrophobicContact CD2-CB 3.82Å; Y189-R199 HydrophobicContact CE2-CB 3.73Å; Y189-R199 PolarHBondContact O-N 3.3Å
200G94.5Very high96.4Very high17 Ų1741.6 Ų41.618%0.17521%0.213CC..EExtended strand (participates in β ladder)trans-179.6166.7168.400000110.3Y189Y189-G200 WeakPolarHBondContact CD1-O 3.34Å; Y189-G200 WeakPolarHBondContact CE1-O 3.48Å; Y189-G200 VanDerWaalsContact CE2-N 3.32Å; Y189-G200 PolarHBondContact N-O 3.42Å; Y189-G200 VanDerWaalsContact N-O 3.09Å; Y189-G200 WeakPolarHBondContact OH-CA 3.34Å
201E95.4Very high96.4Very high23 Ų2341.8 Ų41.811%0.10721%0.214CC..EExtended strand (participates in β ladder)trans-137.9143.4-172.4-55.8174.3-159.800107.9S109 T110 R186 L187 M188 A198 F275 K278S109-E201 VanDerWaalsContact CA-OE1 3.27Å; S109-E201 WeakPolarHBondContact CA-OE1 3.4Å; S109-E201 PolarHBondContact OG-OE1 2.75Å; T110-E201 PolarHBondContact N-OE1 2.87Å; R186-E201 IonicContact CZ-OE2 3.95Å; R186-E201 IonicContact NE-OE2 2.64Å; R186-E201 IonicContact NH1-OE2 3.15Å; R186-E201 PolarHBondContact NH1-OE2 2.97Å; L187-E201 CarbonylContact O-C 3.54Å; L187-E201 VanDerWaalsContact O-CA 3.3Å; L187-E201 WeakPolarHBondContact O-CA 3.49Å; M188-E201 HydrophobicContact CG-CG 4.11Å; A198-E201 HydrophobicContact CB-CG 3.81Å; E201-F275 HydrophobicContact CB-CE1 3.63Å; E201-F275 HydrophobicContact CB-CZ 4.27Å; E201-K278 IonicContact OE2-NZ 2.74Å
202V95.4Very high96.5Very high7 Ų738.2 Ų38.24%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-131.4131.1-178.1-170.60000107.8L187 Y189 I204 T234 F239L187-V202 HydrophobicContact CB-CB 4.27Å; L187-V202 PolarHBondContact N-O 3.1Å; L187-V202 PolarHBondContact O-N 3.29Å; Y189-V202 HydrophobicContact CE1-CG2 4.25Å; V202-I204 HydrophobicContact CG1-CD1 4Å; V202-T234 HydrophobicContact CG1-CG2 4.47Å; V202-F239 HydrophobicContact CB-CE1 4.33Å; V202-F239 HydrophobicContact CB-CZ 4.08Å; V202-F239 HydrophobicContact CG1-CD2 4.25Å; V202-F239 HydrophobicContact CG1-CE1 4.08Å; V202-F239 HydrophobicContact CG1-CE2 3.58Å; V202-F239 HydrophobicContact CG1-CZ 3.43Å; V202-F239 VanDerWaalsContact CG1-CZ 3.43Å; V202-F239 HydrophobicContact CG2-CD1 4.03Å; V202-F239 HydrophobicContact CG2-CE1 3.27Å; V202-F239 HydrophobicContact CG2-CE2 4.34Å; V202-F239 HydrophobicContact CG2-CZ 3.44Å; V202-F239 VanDerWaalsContact CG2-CZ 3.44Å
203F96.4Very high96.6Very high8 Ų835.4 Ų35.44%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-84.7132.2169.2-174.9-94.9000109.5R185 G205 Y211 M264 E268 V271 E272 F275R185-F203 HydrophobicContact CB-CD2 4.15Å; R185-F203 HydrophobicContact CB-CE2 3.76Å; R185-F203 HydrophobicContact CB-CZ 4.18Å; R185-F203 CarbonylContact O-C 3.51Å; R185-F203 WeakPolarHBondContact O-CA 3.33Å; F203-G205 VanDerWaalsContact CE1-CA 3.4Å; F203-Y211 WeakPolarHBondContact O-CE1 3.49Å; F203-M264 HydrophobicContact CE1-SD 3.59Å; F203-M264 VanDerWaalsContact CE1-SD 3.59Å; F203-M264 HydrophobicContact CZ-SD 3.79Å; F203-E268 HydrophobicContact CZ-CB 4.4Å; F203-V271 HydrophobicContact CD2-CG1 4.01Å; F203-V271 HydrophobicContact CE2-CB 4.28Å; F203-V271 HydrophobicContact CE2-CG1 3.89Å; F203-E272 HydrophobicContact CD1-CB 3.87Å; F203-E272 HydrophobicContact CD1-CG 3.62Å; F203-E272 HydrophobicContact CE1-CB 3.56Å; F203-E272 HydrophobicContact CE1-CG 3.64Å; F203-E272 HydrophobicContact CE2-CB 4.49Å; F203-E272 HydrophobicContact CG-CB 4.43Å; F203-E272 HydrophobicContact CG-CG 4.43Å; F203-E272 HydrophobicContact CZ-CB 3.9Å; F203-E272 HydrophobicContact CZ-CG 4.47Å; F203-F275 HydrophobicContact CB-CB 4.04Å; F203-F275 HydrophobicContact CB-CD1 4.09Å; F203-F275 HydrophobicContact CB-CD2 3.78Å; F203-F275 HydrophobicContact CB-CE1 4.48Å; F203-F275 HydrophobicContact CB-CE2 4.22Å; F203-F275 HydrophobicContact CB-CG 3.71Å; F203-F275 HydrophobicContact CD2-CD2 4.24Å; F203-F275 HydrophobicContact CD2-CE2 4.3Å; F203-F275 HydrophobicContact CG-CD2 4.36Å
204I97.6Very high96.6Very high0 Ų038.9 Ų38.90%021%0.206CC..  trans-107.291.3176.5-49-58.8000107.4M182 R185 L187 V202 I232 F256 A259 V260M182-I204 HydrophobicContact CE-CB 3.95Å; M182-I204 HydrophobicContact CE-CG1 3.77Å; M182-I204 HydrophobicContact CE-CG2 4.29Å; M182-I204 HydrophobicContact SD-CG1 4.2Å; R185-I204 WeakPolarHBondContact CB-O 3.1Å; R185-I204 WeakPolarHBondContact CG-O 3.2Å; R185-I204 PolarHBondContact NH1-O 2.87Å; R185-I204 PolarHBondContact O-N 2.89Å; L187-I204 HydrophobicContact CB-CD1 4.33Å; L187-I204 HydrophobicContact CB-CG1 4.18Å; V202-I204 HydrophobicContact CG1-CD1 4Å; I204-I232 HydrophobicContact CD1-CD1 4Å; I204-I232 HydrophobicContact CD1-CG2 4.2Å; I204-F256 HydrophobicContact CG1-CD1 4.38Å; I204-A259 HydrophobicContact CB-CB 4.41Å; I204-A259 HydrophobicContact CG2-CB 3.92Å; I204-V260 HydrophobicContact CG2-CG2 3.86Å
205G97.3Very high96.6Very high0 Ų043.3 Ų43.30%023%0.225CC..  trans-76-168178.900000112.5F203 Y211 V260F203-G205 VanDerWaalsContact CE1-CA 3.4Å; G205-Y211 VanDerWaalsContact CA-CD2 3.44Å; G205-Y211 VanDerWaalsContact N-CD1 3.31Å; G205-V260 WeakPolarHBondContact O-CA 3.43Å
206S97.8Very high96.5Very high0 Ų042.6 Ų42.60%023%0.227CC..  trans-92.7163.5179.177.70000112.4E208 S209 Y211 V260 R262S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.85Å; S206-E208 PolarHBondContact OG-OE2 3.49Å; S206-S209 CarbonylContact O-C 3.57Å; S206-S209 WeakPolarHBondContact O-CA 3.45Å; S206-S209 PolarHBondContact O-N 3.21Å; S206-Y211 WeakPolarHBondContact O-CB 3.03Å; S206-Y211 WeakPolarHBondContact O-CD2 3.42Å; S206-Y211 PolarHBondContact O-N 2.78Å; S206-V260 CarbonylContact C-O 3.55Å; S206-V260 VanDerWaalsContact CA-O 3.29Å; S206-V260 WeakPolarHBondContact CA-O 3.24Å; S206-R262 WeakPolarHBondContact CB-O 3.47Å
207K97.4Very high96.4Very high100 Ų10044.2 Ų44.244%0.43523%0.233SC..G310 helixtrans-58.9-33.317662.2-170.8169.9-1620113.4S209 G210 Y211 V260 D261K207-S209 PolarHBondContact O-N 3.48Å; K207-G210 PolarHBondContact O-N 3.38Å; K207-Y211 WeakPolarHBondContact CA-O 3.34Å; K207-V260 HydrophobicContact CB-CG1 3.81Å; K207-V260 PolarHBondContact N-O 2.94Å; K207-D261 IonicContact NZ-OD1 3.5Å; K207-D261 PolarHBondContact NZ-OD1 3.28Å
208E96.8Very high96.3Very high120 Ų12043.3 Ų43.356%0.56123%0.232SC*.G310 helixtrans-64.5-23176.3-58.174.1-154.600112S206S206-E208 WeakPolarHBondContact CB-OE2 3.37Å; S206-E208 PolarHBondContact O-N 2.85Å; S206-E208 PolarHBondContact OG-OE2 3.49Å
209S96.1Very high96Very high31 Ų3149.3 Ų49.322%0.21727%0.269CS..G310 helixtrans-98.316.3175.8-580000113.1S206 K207 P235 M264S206-S209 CarbonylContact O-C 3.57Å; S206-S209 WeakPolarHBondContact O-CA 3.45Å; S206-S209 PolarHBondContact O-N 3.21Å; K207-S209 PolarHBondContact O-N 3.48Å; S209-P235 WeakPolarHBondContact O-CG 3.49Å; S209-M264 WeakPolarHBondContact OG-CE 3.45Å
210G96.6Very high95.6Very high41 Ų4146.6 Ų46.642%0.42327%0.274SS..THydrogen-bonded Turntrans82.916.2174.900000115.3K207K207-G210 PolarHBondContact O-N 3.38Å
211Y98.3Very high95.6Very high6 Ų646.7 Ų46.72%0.02427%0.272CS..  trans-88.5133.3173.7-69.3-99.2000111.5F203 G205 S206 K207 V233 T234 P235 V260 E272F203-Y211 WeakPolarHBondContact O-CE1 3.49Å; G205-Y211 VanDerWaalsContact CA-CD2 3.44Å; G205-Y211 VanDerWaalsContact N-CD1 3.31Å; S206-Y211 WeakPolarHBondContact O-CB 3.03Å; S206-Y211 WeakPolarHBondContact O-CD2 3.42Å; S206-Y211 PolarHBondContact O-N 2.78Å; K207-Y211 WeakPolarHBondContact CA-O 3.34Å; Y211-V233 VanDerWaalsContact CA-O 3.31Å; Y211-V233 WeakPolarHBondContact CA-O 3.18Å; Y211-T234 HydrophobicContact CD1-CG2 3.77Å; Y211-T234 HydrophobicContact CE1-CG2 3.49Å; Y211-T234 VanDerWaalsContact CE1-CG2 3.49Å; Y211-P235 HydrophobicContact CE2-CG 4.03Å; Y211-V260 VanDerWaalsContact O-CG1 3.3Å; Y211-V260 WeakPolarHBondContact O-CG1 3.31Å; Y211-E272 WeakPolarHBondContact CE2-OE1 3.35Å; Y211-E272 PolarHBondContact OH-OE1 3.46Å
212T98.2Very high95.4Very high58 Ų5853.1 Ų53.136%0.35630%0.302SS..EExtended strand (participates in β ladder)trans-141.7157174.267.20000112I232 V233T212-I232 WeakPolarHBondContact O-CA 3.44Å; T212-V233 PolarHBondContact N-O 3.1Å; T212-V233 PolarHBondContact O-N 3.05Å; T212-V233 WeakPolarHBondContact OG1-CB 3.29Å; T212-V233 WeakPolarHBondContact OG1-CG2 3.34Å
213V98.2Very high95.2Very high14 Ų1455.1 Ų55.19%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-123129.9177.1-170.30000108I230 V253 F256 V260V213-I230 HydrophobicContact CG1-CG2 4.11Å; V213-V253 HydrophobicContact CG1-CB 4.5Å; V213-V253 HydrophobicContact CG1-CG1 4.03Å; V213-V253 HydrophobicContact CG1-CG2 4.3Å; V213-F256 HydrophobicContact CB-CB 4.4Å; V213-F256 HydrophobicContact CG1-CB 4.01Å; V213-F256 HydrophobicContact CG1-CD2 4.43Å; V213-F256 HydrophobicContact CG2-CB 3.5Å; V213-F256 VanDerWaalsContact CG2-CB 3.5Å; V213-V260 HydrophobicContact CG2-CG2 3.85Å
214L97.7Very high95.1Very high92 Ų9257.8 Ų57.848%0.48234%0.336SS..EExtended strand (participates in β ladder)trans-126.9143.1179.4-56.6171.8000110.1T231 V233L214-T231 PolarHBondContact N-O 2.79Å; L214-T231 PolarHBondContact O-N 2.81Å; L214-V233 HydrophobicContact CD1-CG2 4.49Å
215H96.8Very high95Very high122 Ų12265 Ų6557%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-74140.2168-74.2-97.6000110.5
216G94.8Very high95Very high24 Ų2466.4 Ų66.425%0.24738%0.375CS..SBendtrans82.5-171.2176.500000114.2G229 T231G216-G229 WeakPolarHBondContact CA-O 3.34Å; G216-G229 PolarHBondContact N-O 2.78Å; G216-T231 PolarHBondContact O-N 3.07Å; G216-T231 PolarHBondContact O-OG1 2.97Å
217F94.6Very high95Very high44 Ų4470.6 Ų70.619%0.19340%0.402CS..  trans-114.8156.6-179.2-65.1-55.2000111.3F175 T221 H224 G229 L240 F241 A242F175-F217 HydrophobicContact CE1-CE1 4.28Å; F175-F217 HydrophobicContact CE1-CZ 4.28Å; F175-F217 HydrophobicContact CZ-CE1 4.35Å; F217-T221 HydrophobicContact CB-CG2 4.22Å; F217-T221 HydrophobicContact CD1-CG2 4.25Å; F217-T221 HydrophobicContact CG-CG2 4.13Å; F217-H224 AromaticContact CD2-CD2 3.62Å; F217-H224 AromaticContact CD2-NE2 3.52Å; F217-H224 AromaticContact CE2-CD2 3.41Å; F217-H224 VanDerWaalsContact CE2-CD2 3.41Å; F217-H224 WeakPolarHBondContact CE2-CD2 3.5Å; F217-H224 AromaticContact CE2-CG 3.86Å; F217-H224 AromaticContact CE2-NE2 3.64Å; F217-G229 VanDerWaalsContact CE1-CA 3.49Å; F217-L240 HydrophobicContact CD1-CB 4.13Å; F217-L240 HydrophobicContact CE1-CB 4.07Å; F217-F241 WeakPolarHBondContact CE1-O 3.29Å; F217-F241 VanDerWaalsContact CZ-O 3.24Å; F217-F241 WeakPolarHBondContact CZ-O 3.23Å; F217-A242 HydrophobicContact CE2-CB 4.4Å; F217-A242 HydrophobicContact CZ-CB 3.69Å
218P92.5Very high95Very high32 Ų3268.3 Ų68.321%0.20839%0.392CS..  trans-53.7142.3160-22.832.8000110.8S220 T221 L240P218-S220 PolarHBondContact O-N 2.85Å; P218-T221 WeakPolarHBondContact CD-OG1 3.45Å; P218-T221 WeakPolarHBondContact O-CB 3.46Å; P218-T221 PolarHBondContact O-N 3.49Å; P218-T221 PolarHBondContact O-OG1 2.78Å; P218-L240 HydrophobicContact CG-CD2 4.1Å
219P88.8Confident95.1Very high142 Ų14262.7 Ų62.792%0.92237%0.367SS*.THydrogen-bonded Turntrans-56-25.3-177-27.834.6000115.3T221P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 PolarHBondContact O-N 3.05Å
220S87.6Confident95.2Very high98 Ų9861.2 Ų61.269%0.68536%0.356SS*.THydrogen-bonded Turntrans-81.5-0.6-179.855.80000114.6P218P218-S220 PolarHBondContact O-N 2.85Å
221T92.9Very high95.3Very high19 Ų1959.6 Ų59.612%0.11734%0.338CS..  trans-75131.4-174.1-49.90000110.6F175 F217 P218 P219 L240F175-T221 HydrophobicContact CE2-CG2 3.86Å; F175-T221 HydrophobicContact CZ-CG2 3.73Å; F217-T221 HydrophobicContact CB-CG2 4.22Å; F217-T221 HydrophobicContact CD1-CG2 4.25Å; F217-T221 HydrophobicContact CG-CG2 4.13Å; P218-T221 WeakPolarHBondContact CD-OG1 3.45Å; P218-T221 WeakPolarHBondContact O-CB 3.46Å; P218-T221 PolarHBondContact O-N 3.49Å; P218-T221 PolarHBondContact O-OG1 2.78Å; P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 PolarHBondContact O-N 3.05Å; T221-L240 HydrophobicContact CG2-CD1 3.76Å
222Q91.1Very high95.3Very high158 Ų15859.3 Ų59.374%0.73834%0.337SS*.  trans-135.4165179.5-63.7-173.9-3.700111.2F175F175-Q222 WeakPolarHBondContact CE2-O 3.27Å
223G91.7Very high95.3Very high49 Ų4958.1 Ų58.151%0.50533%0.33SS..SBendtrans81.78.8170.800000116.1F175F175-G223 WeakPolarHBondContact CB-O 3.18Å
224H93.9Very high95.2Very high63 Ų6357.9 Ų57.929%0.29233%0.329SS..  trans-85.6146.2167.459.465000110.7F175 F217 W226 A242F175-H224 HydrophobicContact CB-CB 4.41Å; F175-H224 HydrophobicContact CD1-CB 3.85Å; F175-H224 HydrophobicContact CD2-CB 3.82Å; F175-H224 HydrophobicContact CE1-CB 4Å; F175-H224 HydrophobicContact CE2-CB 3.97Å; F175-H224 HydrophobicContact CG-CB 3.76Å; F175-H224 HydrophobicContact CZ-CB 4.06Å; F217-H224 AromaticContact CD2-CD2 3.62Å; F217-H224 AromaticContact CD2-NE2 3.52Å; F217-H224 AromaticContact CE2-CD2 3.41Å; F217-H224 VanDerWaalsContact CE2-CD2 3.41Å; F217-H224 WeakPolarHBondContact CE2-CD2 3.5Å; F217-H224 AromaticContact CE2-CG 3.86Å; F217-H224 AromaticContact CE2-NE2 3.64Å; H224-W226 PolarHBondContact ND1-O 3.36Å; H224-A242 HydrophobicContact CB-CB 4.39Å
225H96.1Very high95Very high151 Ų15156.7 Ų56.770%0.69933%0.326SS*.SBendtrans-101-31.2173.7-56.991.4000111.3E165E165-H225 IonicContact OE1-ND1 2.77Å; E165-H225 PolarHBondContact OE1-ND1 3.46Å; E165-H225 PolarHBondContact OE2-N 2.93Å
226W98Very high94.7Very high31 Ų3156.2 Ų56.212%0.11733%0.328CS..SBendtrans-83.8131.9178.2-72.9-0.3000110.8Y163 E165 K177 H224 A242 C243 E244Y163-W226 WeakPolarHBondContact O-CZ3 3.29Å; E165-W226 HydrophobicContact CG-CB 4.31Å; E165-W226 HydrophobicContact CG-CD2 3.85Å; E165-W226 HydrophobicContact CG-CE3 3.94Å; E165-W226 HydrophobicContact CG-CG 4.03Å; E165-W226 PolarHBondContact OE2-N 3.02Å; K177-W226 HydrophobicContact CD-CH2 4.25Å; K177-W226 HydrophobicContact CD-CZ2 4.16Å; K177-W226 HydrophobicContact CG-CH2 4.49Å; H224-W226 PolarHBondContact ND1-O 3.36Å; W226-A242 HydrophobicContact CB-CB 3.7Å; W226-A242 WeakPolarHBondContact O-CB 3.44Å; W226-C243 WeakPolarHBondContact CB-O 3.49Å; W226-E244 HydrophobicContact CD2-CB 3.72Å; W226-E244 HydrophobicContact CD2-CG 4.38Å; W226-E244 HydrophobicContact CE3-CB 3.88Å; W226-E244 HydrophobicContact CG-CB 4.24Å; W226-E244 HydrophobicContact CH2-CB 3.94Å; W226-E244 HydrophobicContact CZ2-CB 3.81Å; W226-E244 HydrophobicContact CZ2-CG 4.11Å; W226-E244 WeakPolarHBondContact CZ2-OE2 3.48Å; W226-E244 HydrophobicContact CZ3-CB 3.96Å
227P97Very high94.7Very high87 Ų8759.7 Ų59.757%0.56533%0.333SS*.  trans-86.7-16.8-164.831.5-34.1000114.3G229P227-G229 PolarHBondContact O-N 3.32Å
228H98.3Very high94.7Very high52 Ų5262.5 Ų62.524%0.24135%0.346CS..EExtended strand (participates in β ladder)trans-96.692.4-170.9-55.7-76.3000111.6C243 E244 T245 E246 Q249H228-C243 HydrophobicContact CB-CB 4.16Å; H228-C243 WeakPolarHBondContact CB-O 3.31Å; H228-C243 PolarHBondContact N-O 2.89Å; H228-C243 PolarHBondContact O-N 2.88Å; H228-E244 PolarHBondContact CD2-O 2.87Å; H228-T245 VanDerWaalsContact CD2-CA 3.46Å; H228-T245 WeakPolarHBondContact CD2-CA 3.08Å; H228-E246 PolarHBondContact CD2-N 3.16Å; H228-E246 VanDerWaalsContact CD2-N 3.3Å; H228-E246 PolarHBondContact NE2-N 3.02Å; H228-Q249 HydrophobicContact CB-CB 3.84Å; H228-Q249 HydrophobicContact CB-CG 4.06Å
229G98Very high95Very high2 Ų261.7 Ų61.72%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-78.8150-17400000116G216 F217 P227 F241 Q249G216-G229 WeakPolarHBondContact CA-O 3.34Å; G216-G229 PolarHBondContact N-O 2.78Å; F217-G229 VanDerWaalsContact CE1-CA 3.49Å; P227-G229 PolarHBondContact O-N 3.32Å; G229-F241 CarbonylContact C-O 3.48Å; G229-F241 WeakPolarHBondContact CA-O 3.4Å; G229-Q249 PolarHBondContact O-NE2 3.06Å
230I98.6Very high95.4Very high0 Ų055.1 Ų55.10%030%0.296CS..EExtended strand (participates in β ladder)trans-132.6131.5170-55.7175.3000107.4M164 V213 I232 F241 Q249 W252 V253 F256M164-I230 HydrophobicContact SD-CD1 4.35Å; V213-I230 HydrophobicContact CG1-CG2 4.11Å; I230-I232 HydrophobicContact CG2-CG1 4.33Å; I230-F241 HydrophobicContact CB-CB 4.4Å; I230-F241 PolarHBondContact N-O 3.5Å; I230-F241 PolarHBondContact O-N 2.85Å; I230-Q249 HydrophobicContact CD1-CG 4.11Å; I230-Q249 HydrophobicContact CG1-CG 3.76Å; I230-W252 HydrophobicContact CD1-CB 3.5Å; I230-W252 HydrophobicContact CD1-CG 4.39Å; I230-V253 HydrophobicContact CD1-CG2 3.92Å; I230-V253 HydrophobicContact CG1-CG2 3.9Å; I230-V253 HydrophobicContact CG2-CG2 4.12Å; I230-F256 HydrophobicContact CD1-CE2 4.44Å; I230-F256 HydrophobicContact CG2-CD2 4.28Å; I230-F256 HydrophobicContact CG2-CE2 4.38Å
231T98.4Very high95.9Very high7 Ų750.5 Ų50.54%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-113.2117.7173.3-60.70000109.4L214 G216 V233 F239 L240L214-T231 PolarHBondContact N-O 2.79Å; L214-T231 PolarHBondContact O-N 2.81Å; G216-T231 PolarHBondContact O-N 3.07Å; G216-T231 PolarHBondContact O-OG1 2.97Å; T231-V233 HydrophobicContact CG2-CG2 4.37Å; T231-F239 WeakPolarHBondContact CA-O 3.47Å; T231-L240 HydrophobicContact CG2-CD2 3.77Å; T231-L240 WeakPolarHBondContact OG1-CD2 3.47Å
232I98.1Very high96.2Very high1 Ų149.6 Ų49.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-101.1123.2169.9-56.7-173000108.3I204 T212 I230 T234 K238 F239 F241 F256I204-I232 HydrophobicContact CD1-CD1 4Å; I204-I232 HydrophobicContact CD1-CG2 4.2Å; T212-I232 WeakPolarHBondContact O-CA 3.44Å; I230-I232 HydrophobicContact CG2-CG1 4.33Å; I232-T234 HydrophobicContact CG2-CG2 4.22Å; I232-K238 CarbonylContact O-C 3.47Å; I232-K238 WeakPolarHBondContact O-CA 3.49Å; I232-F239 HydrophobicContact CB-CB 4.36Å; I232-F239 PolarHBondContact N-O 2.93Å; I232-F239 PolarHBondContact O-N 2.74Å; I232-F241 HydrophobicContact CD1-CD2 4.22Å; I232-F241 HydrophobicContact CD1-CE2 3.61Å; I232-F241 HydrophobicContact CG1-CD2 4.46Å; I232-F241 HydrophobicContact CG1-CE2 4.13Å; I232-F256 HydrophobicContact CD1-CD1 3.69Å; I232-F256 HydrophobicContact CD1-CD2 3.74Å; I232-F256 HydrophobicContact CD1-CE1 3.69Å; I232-F256 HydrophobicContact CD1-CE2 3.74Å; I232-F256 HydrophobicContact CD1-CG 3.74Å; I232-F256 HydrophobicContact CD1-CZ 3.72Å; I232-F256 HydrophobicContact CG1-CD2 4.37Å
233V97.6Very high96.6Very high32 Ų3242 Ų4219%0.19422%0.223CC..EExtended strand (participates in β ladder)trans-96.6128.4171.8-171.20000108Y211 T212 L214 T231 K238Y211-V233 VanDerWaalsContact CA-O 3.31Å; Y211-V233 WeakPolarHBondContact CA-O 3.18Å; T212-V233 PolarHBondContact N-O 3.1Å; T212-V233 PolarHBondContact O-N 3.05Å; T212-V233 WeakPolarHBondContact OG1-CB 3.29Å; T212-V233 WeakPolarHBondContact OG1-CG2 3.34Å; L214-V233 HydrophobicContact CD1-CG2 4.49Å; T231-V233 HydrophobicContact CG2-CG2 4.37Å; V233-K238 HydrophobicContact CG1-CG 4.28Å; V233-K238 HydrophobicContact CG2-CD 4.45Å; V233-K238 HydrophobicContact CG2-CG 4.19Å
234T95.9Very high96.9Very high10 Ų1044.9 Ų44.96%0.06122%0.223CC..  trans-117.4166.8166.879.80000108.6V202 Y211 I232 D236 R237 F239V202-T234 HydrophobicContact CG1-CG2 4.47Å; Y211-T234 HydrophobicContact CD1-CG2 3.77Å; Y211-T234 HydrophobicContact CE1-CG2 3.49Å; Y211-T234 VanDerWaalsContact CE1-CG2 3.49Å; I232-T234 HydrophobicContact CG2-CG2 4.22Å; T234-D236 PolarHBondContact O-N 3.17Å; T234-D236 PolarHBondContact OG1-N 3.34Å; T234-R237 PolarHBondContact N-O 2.99Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 PolarHBondContact OG1-N 2.84Å; T234-R237 PolarHBondContact OG1-O 3.2Å; T234-F239 HydrophobicContact CG2-CD2 3.96Å; T234-F239 HydrophobicContact CG2-CE2 3.71Å
235P94.6Very high97.1Very high67 Ų6744.7 Ų44.744%0.43523%0.226SC..SBendtrans-54.2-36.3176.1-30.838.5000113.9S209 Y211S209-P235 WeakPolarHBondContact O-CG 3.49Å; Y211-P235 HydrophobicContact CE2-CG 4.03Å
236D91.1Very high97.2Very high112 Ų11242.3 Ų42.360%0.59922%0.215SC*.SBendtrans-88.3-35.4-174.1-49.6-45.8000113.3T234T234-D236 PolarHBondContact O-N 3.17Å; T234-D236 PolarHBondContact OG1-N 3.34Å
237R93.6Very high97.2Very high96 Ų9643.9 Ų43.936%0.36223%0.231SC..  trans-163170.4-177.469.2177.6-176.4-157.1-7.6113.8T234 F239T234-R237 PolarHBondContact N-O 2.99Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 PolarHBondContact OG1-N 2.84Å; T234-R237 PolarHBondContact OG1-O 3.2Å; R237-F239 HydrophobicContact CG-CD2 4.1Å; R237-F239 HydrophobicContact CG-CE2 3.63Å; R237-F239 HydrophobicContact CG-CZ 4.06Å; R237-F239 VanDerWaalsContact CZ-CE1 3.5Å; R237-F239 VanDerWaalsContact CZ-CZ 3.49Å
238K95.6Very high97.2Very high103 Ų10342.1 Ų42.145%0.44822%0.217SC..EExtended strand (participates in β ladder)trans-98.1140.4167.9-58.9180-177.81760111I232 V233I232-K238 CarbonylContact O-C 3.47Å; I232-K238 WeakPolarHBondContact O-CA 3.49Å; V233-K238 HydrophobicContact CG1-CG 4.28Å; V233-K238 HydrophobicContact CG2-CD 4.45Å; V233-K238 HydrophobicContact CG2-CG 4.19Å
239F97.5Very high97.2Very high16 Ų1640.6 Ų40.67%0.0721%0.21CC..EExtended strand (participates in β ladder)trans-111.8130.6171.8-65.1-101.9000109.4V202 T231 I232 T234 R237 F241V202-F239 HydrophobicContact CB-CE1 4.33Å; V202-F239 HydrophobicContact CB-CZ 4.08Å; V202-F239 HydrophobicContact CG1-CD2 4.25Å; V202-F239 HydrophobicContact CG1-CE1 4.08Å; V202-F239 HydrophobicContact CG1-CE2 3.58Å; V202-F239 HydrophobicContact CG1-CZ 3.43Å; V202-F239 VanDerWaalsContact CG1-CZ 3.43Å; V202-F239 HydrophobicContact CG2-CD1 4.03Å; V202-F239 HydrophobicContact CG2-CE1 3.27Å; V202-F239 HydrophobicContact CG2-CE2 4.34Å; V202-F239 HydrophobicContact CG2-CZ 3.44Å; V202-F239 VanDerWaalsContact CG2-CZ 3.44Å; T231-F239 WeakPolarHBondContact CA-O 3.47Å; I232-F239 HydrophobicContact CB-CB 4.36Å; I232-F239 PolarHBondContact N-O 2.93Å; I232-F239 PolarHBondContact O-N 2.74Å; T234-F239 HydrophobicContact CG2-CD2 3.96Å; T234-F239 HydrophobicContact CG2-CE2 3.71Å; R237-F239 HydrophobicContact CG-CD2 4.1Å; R237-F239 HydrophobicContact CG-CE2 3.63Å; R237-F239 HydrophobicContact CG-CZ 4.06Å; R237-F239 VanDerWaalsContact CZ-CE1 3.5Å; R237-F239 VanDerWaalsContact CZ-CZ 3.49Å; F239-F241 HydrophobicContact CB-CE1 3.92Å; F239-F241 HydrophobicContact CB-CE2 4.25Å; F239-F241 HydrophobicContact CB-CZ 3.63Å; F239-F241 HydrophobicContact CD1-CE1 4.33Å; F239-F241 HydrophobicContact CD1-CZ 4.14Å; F239-F241 HydrophobicContact CG-CZ 4.21Å
240L98.3Very high97.2Very high3 Ų347.6 Ų47.62%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-110.8123.9176.9-48.9-177.9000109.3T167 Q171 F175 F217 P218 T221 T231T167-L240 HydrophobicContact CG2-CB 3.98Å; T167-L240 HydrophobicContact CG2-CD1 4.23Å; T167-L240 HydrophobicContact CG2-CG 4.32Å; Q171-L240 HydrophobicContact CB-CD1 4.1Å; Q171-L240 HydrophobicContact CG-CD1 3.94Å; Q171-L240 HydrophobicContact CG-CG 4.29Å; F175-L240 HydrophobicContact CE1-CB 4.44Å; F175-L240 HydrophobicContact CZ-CB 4.18Å; F217-L240 HydrophobicContact CD1-CB 4.13Å; F217-L240 HydrophobicContact CE1-CB 4.07Å; P218-L240 HydrophobicContact CG-CD2 4.1Å; T221-L240 HydrophobicContact CG2-CD1 3.76Å; T231-L240 HydrophobicContact CG2-CD2 3.77Å; T231-L240 WeakPolarHBondContact OG1-CD2 3.47Å
241F98.4Very high97.2Very high1 Ų152.3 Ų52.30%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-122.5144.4177.3-51.5-41000111M164 E165 K166 F180 L187 F217 G229 I230 I232 F239 F256M164-F241 HydrophobicContact CB-CB 4.48Å; M164-F241 HydrophobicContact CE-CD2 4.25Å; M164-F241 HydrophobicContact CE-CG 4.44Å; M164-F241 HydrophobicContact SD-CB 3.97Å; M164-F241 HydrophobicContact SD-CG 4.48Å; E165-F241 CarbonylContact O-C 3.5Å; E165-F241 WeakPolarHBondContact O-CA 3.48Å; K166-F241 HydrophobicContact CB-CD1 3.71Å; K166-F241 HydrophobicContact CB-CE1 4.01Å; F180-F241 HydrophobicContact CE1-CD1 4.16Å; F180-F241 AromaticContact CE1-CE1 3.8Å; F180-F241 HydrophobicContact CE1-CE1 3.8Å; F180-F241 HydrophobicContact CE1-CE2 4.4Å; F180-F241 AromaticContact CE1-CZ 3.93Å; F180-F241 HydrophobicContact CE1-CZ 3.93Å; F180-F241 AromaticContact CZ-CD1 3.87Å; F180-F241 HydrophobicContact CZ-CD1 3.87Å; F180-F241 AromaticContact CZ-CE1 3.86Å; F180-F241 HydrophobicContact CZ-CE1 3.86Å; F180-F241 HydrophobicContact CZ-CG 4.48Å; F180-F241 HydrophobicContact CZ-CZ 4.44Å; L187-F241 HydrophobicContact CD2-CE2 3.62Å; L187-F241 HydrophobicContact CD2-CZ 3.76Å; F217-F241 WeakPolarHBondContact CE1-O 3.29Å; F217-F241 VanDerWaalsContact CZ-O 3.24Å; F217-F241 WeakPolarHBondContact CZ-O 3.23Å; G229-F241 CarbonylContact C-O 3.48Å; G229-F241 WeakPolarHBondContact CA-O 3.4Å; I230-F241 HydrophobicContact CB-CB 4.4Å; I230-F241 PolarHBondContact N-O 3.5Å; I230-F241 PolarHBondContact O-N 2.85Å; I232-F241 HydrophobicContact CD1-CD2 4.22Å; I232-F241 HydrophobicContact CD1-CE2 3.61Å; I232-F241 HydrophobicContact CG1-CD2 4.46Å; I232-F241 HydrophobicContact CG1-CE2 4.13Å; F239-F241 HydrophobicContact CB-CE1 3.92Å; F239-F241 HydrophobicContact CB-CE2 4.25Å; F239-F241 HydrophobicContact CB-CZ 3.63Å; F239-F241 HydrophobicContact CD1-CE1 4.33Å; F239-F241 HydrophobicContact CD1-CZ 4.14Å; F239-F241 HydrophobicContact CG-CZ 4.21Å; F241-F256 HydrophobicContact CD2-CE2 4.37Å; F241-F256 HydrophobicContact CD2-CZ 4.4Å; F241-F256 HydrophobicContact CE2-CZ 4.26Å
242A98.4Very high97.2Very high0 Ų052 Ų520%026%0.256CS..EExtended strand (participates in β ladder)trans-116.1136.3174.400000109.9M164 E165 F175 F217 H224 W226M164-A242 CarbonylContact C-O 3.59Å; M164-A242 VanDerWaalsContact CA-O 3.23Å; M164-A242 WeakPolarHBondContact CA-O 3.26Å; M164-A242 VanDerWaalsContact CB-O 3.29Å; M164-A242 WeakPolarHBondContact CB-O 3.5Å; E165-A242 HydrophobicContact CB-CB 3.96Å; E165-A242 HydrophobicContact CG-CB 4.46Å; E165-A242 PolarHBondContact N-O 3.25Å; E165-A242 PolarHBondContact O-N 3.49Å; F175-A242 HydrophobicContact CD1-CB 4.48Å; F175-A242 HydrophobicContact CE1-CB 4.49Å; F217-A242 HydrophobicContact CE2-CB 4.4Å; F217-A242 HydrophobicContact CZ-CB 3.69Å; H224-A242 HydrophobicContact CB-CB 4.39Å; W226-A242 HydrophobicContact CB-CB 3.7Å; W226-A242 WeakPolarHBondContact O-CB 3.44Å
243C98.6Very high97.3Very high0 Ų052.5 Ų52.50%026%0.259CS..EExtended strand (participates in β ladder)trans-108.8145.5173.8-59.70000110.5M164 W226 H228 T245 D248 Q249M164-C243 VanDerWaalsContact SD-SG 3.62Å; W226-C243 WeakPolarHBondContact CB-O 3.49Å; H228-C243 HydrophobicContact CB-CB 4.16Å; H228-C243 WeakPolarHBondContact CB-O 3.31Å; H228-C243 PolarHBondContact N-O 2.89Å; H228-C243 PolarHBondContact O-N 2.88Å; C243-T245 VanDerWaalsContact C-N 3.33Å; C243-D248 HydrophobicContact CB-CB 4.23Å; C243-Q249 HydrophobicContact CB-CB 3.97Å
244E98.1Very high97.3Very high109 Ų10953.7 Ų53.751%0.50927%0.272SS..SBendtrans-68-34.5-179.7-170.5161.2-14600112.2W226 H228W226-E244 HydrophobicContact CD2-CB 3.72Å; W226-E244 HydrophobicContact CD2-CG 4.38Å; W226-E244 HydrophobicContact CE3-CB 3.88Å; W226-E244 HydrophobicContact CG-CB 4.24Å; W226-E244 HydrophobicContact CH2-CB 3.94Å; W226-E244 HydrophobicContact CZ2-CB 3.81Å; W226-E244 HydrophobicContact CZ2-CG 4.11Å; W226-E244 WeakPolarHBondContact CZ2-OE2 3.48Å; W226-E244 HydrophobicContact CZ3-CB 3.96Å; H228-E244 PolarHBondContact CD2-O 2.87Å
245T98.3Very high97.4Very high58 Ų5853.7 Ų53.736%0.35627%0.273SS..SBendtrans-128.6153.6-178.472.80000111.7H228 C243 S247 D248 Q249H228-T245 VanDerWaalsContact CD2-CA 3.46Å; H228-T245 WeakPolarHBondContact CD2-CA 3.08Å; C243-T245 VanDerWaalsContact C-N 3.33Å; T245-S247 VanDerWaalsContact C-N 3.26Å; T245-S247 PolarHBondContact O-N 3.48Å; T245-D248 PolarHBondContact O-N 3.23Å; T245-D248 PolarHBondContact OG1-N 2.99Å; T245-D248 VanDerWaalsContact OG1-N 3.13Å; T245-D248 PolarHBondContact OG1-OD2 3.03Å; T245-Q249 PolarHBondContact O-N 3.31Å
246E98.1Very high97.6Very high101 Ų10150.5 Ų50.547%0.47225%0.253SS..Hα-helixtrans-63-34.2174.2-161.9-160.413900111.8H228 Q249 R250H228-E246 PolarHBondContact CD2-N 3.16Å; H228-E246 VanDerWaalsContact CD2-N 3.3Å; H228-E246 PolarHBondContact NE2-N 3.02Å; E246-Q249 WeakPolarHBondContact O-CB 3.41Å; E246-Q249 PolarHBondContact O-N 2.64Å; E246-R250 WeakPolarHBondContact O-CB 3.06Å; E246-R250 PolarHBondContact O-N 2.93Å; E246-R250 IonicContact OE1-CZ 3.89Å; E246-R250 IonicContact OE1-NH2 2.79Å; E246-R250 PolarHBondContact OE1-NH2 3.38Å
247S98.1Very high97.9Very high65 Ų6548.1 Ų48.146%0.45524%0.238SC..Hα-helixtrans-61.2-48.3176.4-166.10000110.8T245 Q249 R250 E251T245-S247 VanDerWaalsContact C-N 3.26Å; T245-S247 PolarHBondContact O-N 3.48Å; S247-Q249 VanDerWaalsContact C-N 3.33Å; S247-Q249 PolarHBondContact O-N 3.14Å; S247-R250 PolarHBondContact O-N 3.05Å; S247-E251 WeakPolarHBondContact O-CG 3.42Å; S247-E251 PolarHBondContact O-N 2.82Å
248D97.8Very high98.1Very high50 Ų5050 Ų5027%0.26725%0.248SC..Hα-helixtrans-62.4-41.9176.7-90-44.9000112K160 C243 T245 R250 E251 W252K160-D248 IonicContact NZ-OD1 3.44Å; K160-D248 PolarHBondContact NZ-OD1 2.85Å; C243-D248 HydrophobicContact CB-CB 4.23Å; T245-D248 PolarHBondContact O-N 3.23Å; T245-D248 PolarHBondContact OG1-N 2.99Å; T245-D248 VanDerWaalsContact OG1-N 3.13Å; T245-D248 PolarHBondContact OG1-OD2 3.03Å; D248-R250 VanDerWaalsContact C-N 3.33Å; D248-R250 PolarHBondContact O-N 2.9Å; D248-E251 PolarHBondContact O-N 3.29Å; D248-W252 WeakPolarHBondContact O-CB 3.24Å; D248-W252 PolarHBondContact O-N 2.94Å
249Q98.5Very high98.2Very high20 Ų2045.1 Ų45.19%0.09323%0.228CC..Hα-helixtrans-56.9-48.6175.9-173.4-159.435.600111H228 G229 I230 C243 T245 E246 S247 E251 W252 V253H228-Q249 HydrophobicContact CB-CB 3.84Å; H228-Q249 HydrophobicContact CB-CG 4.06Å; G229-Q249 PolarHBondContact O-NE2 3.06Å; I230-Q249 HydrophobicContact CD1-CG 4.11Å; I230-Q249 HydrophobicContact CG1-CG 3.76Å; C243-Q249 HydrophobicContact CB-CB 3.97Å; T245-Q249 PolarHBondContact O-N 3.31Å; E246-Q249 WeakPolarHBondContact O-CB 3.41Å; E246-Q249 PolarHBondContact O-N 2.64Å; S247-Q249 VanDerWaalsContact C-N 3.33Å; S247-Q249 PolarHBondContact O-N 3.14Å; Q249-E251 PolarHBondContact O-N 2.72Å; Q249-W252 PolarHBondContact O-N 2.73Å; Q249-V253 WeakPolarHBondContact O-CG2 3.07Å; Q249-V253 PolarHBondContact O-N 3.07Å
250R98.4Very high98.3Very high149 Ų14944.5 Ų44.556%0.56223%0.225SC*.Hα-helixtrans-60.8-45-180-168.9-177.3-56.9161.23.3111.8E246 S247 D248 V253 A254E246-R250 WeakPolarHBondContact O-CB 3.06Å; E246-R250 PolarHBondContact O-N 2.93Å; E246-R250 IonicContact OE1-CZ 3.89Å; E246-R250 IonicContact OE1-NH2 2.79Å; E246-R250 PolarHBondContact OE1-NH2 3.38Å; S247-R250 PolarHBondContact O-N 3.05Å; D248-R250 VanDerWaalsContact C-N 3.33Å; D248-R250 PolarHBondContact O-N 2.9Å; R250-V253 PolarHBondContact O-N 3.42Å; R250-A254 WeakPolarHBondContact O-CB 3.36Å; R250-A254 PolarHBondContact O-N 3.24Å
251E98.4Very high98.3Very high98 Ų9847.8 Ų47.846%0.45824%0.243SC..Hα-helixtrans-66.2-39.4177.8-69.1175.9-161.600112.4K160 S247 D248 Q249 A254 A255K160-E251 HydrophobicContact CD-CB 3.68Å; K160-E251 IonicContact NZ-OE2 2.86Å; K160-E251 PolarHBondContact NZ-OE2 3.17Å; S247-E251 WeakPolarHBondContact O-CG 3.42Å; S247-E251 PolarHBondContact O-N 2.82Å; D248-E251 PolarHBondContact O-N 3.29Å; Q249-E251 PolarHBondContact O-N 2.72Å; E251-A254 PolarHBondContact O-N 2.96Å; E251-A255 PolarHBondContact O-N 2.75Å
252W98.6Very high98.2Very high0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-65.3-47.3174.9-84.2119.2000111.9K160 M164 F180 M182 L187 I230 D248 Q249 A254 A255 F256K160-W252 HydrophobicContact CB-CD2 4.48Å; K160-W252 HydrophobicContact CB-CE3 4.09Å; K160-W252 HydrophobicContact CB-CH2 4.18Å; K160-W252 HydrophobicContact CB-CZ3 3.94Å; K160-W252 HydrophobicContact CD-CB 4.34Å; K160-W252 HydrophobicContact CD-CD2 3.57Å; K160-W252 HydrophobicContact CD-CE3 3.97Å; K160-W252 HydrophobicContact CD-CG 3.73Å; K160-W252 HydrophobicContact CD-CZ2 4.39Å; K160-W252 VanDerWaalsContact CE-NE1 3.27Å; K160-W252 HydrophobicContact CG-CD2 3.94Å; K160-W252 HydrophobicContact CG-CE3 4.06Å; K160-W252 HydrophobicContact CG-CH2 4.03Å; K160-W252 HydrophobicContact CG-CZ2 3.93Å; K160-W252 HydrophobicContact CG-CZ3 4.1Å; M164-W252 HydrophobicContact CE-CD2 3.66Å; M164-W252 HydrophobicContact CE-CE3 3.93Å; M164-W252 HydrophobicContact CE-CG 4.19Å; M164-W252 HydrophobicContact CE-CH2 4.12Å; M164-W252 HydrophobicContact CE-CZ2 3.83Å; M164-W252 HydrophobicContact CE-CZ3 4.14Å; M164-W252 HydrophobicContact SD-CB 4.37Å; M164-W252 VanDerWaalsContact SD-CD1 3.51Å; M164-W252 HydrophobicContact SD-CD2 3.8Å; M164-W252 HydrophobicContact SD-CG 3.67Å; F180-W252 HydrophobicContact CB-CH2 3.53Å; F180-W252 HydrophobicContact CB-CZ2 3.77Å; F180-W252 HydrophobicContact CB-CZ3 4.37Å; M182-W252 HydrophobicContact CB-CZ3 4.02Å; L187-W252 HydrophobicContact CD1-CZ3 4.18Å; I230-W252 HydrophobicContact CD1-CB 3.5Å; I230-W252 HydrophobicContact CD1-CG 4.39Å; D248-W252 WeakPolarHBondContact O-CB 3.24Å; D248-W252 PolarHBondContact O-N 2.94Å; Q249-W252 PolarHBondContact O-N 2.73Å; W252-A254 VanDerWaalsContact C-N 3.32Å; W252-A254 PolarHBondContact O-N 3.39Å; W252-A255 PolarHBondContact O-N 2.91Å; W252-F256 HydrophobicContact CB-CE2 4.1Å; W252-F256 HydrophobicContact CE3-CE1 4.37Å; W252-F256 HydrophobicContact CE3-CE2 4Å; W252-F256 AromaticContact CE3-CZ 3.72Å; W252-F256 HydrophobicContact CE3-CZ 3.72Å; W252-F256 HydrophobicContact CZ3-CZ 4.19Å; W252-F256 WeakPolarHBondContact O-CD2 3.41Å; W252-F256 WeakPolarHBondContact O-CG 3.41Å; W252-F256 PolarHBondContact O-N 2.88Å
253V98.6Very high98.1Very high12 Ų1255.8 Ų55.87%0.07328%0.284CS..Hα-helixtrans-59.5-44.6175.9172.20000110.5V213 I230 Q249 R250 A255 F256 Q257V213-V253 HydrophobicContact CG1-CB 4.5Å; V213-V253 HydrophobicContact CG1-CG1 4.03Å; V213-V253 HydrophobicContact CG1-CG2 4.3Å; I230-V253 HydrophobicContact CD1-CG2 3.92Å; I230-V253 HydrophobicContact CG1-CG2 3.9Å; I230-V253 HydrophobicContact CG2-CG2 4.12Å; Q249-V253 WeakPolarHBondContact O-CG2 3.07Å; Q249-V253 PolarHBondContact O-N 3.07Å; R250-V253 PolarHBondContact O-N 3.42Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.4Å; V253-F256 PolarHBondContact O-N 3.2Å; V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 PolarHBondContact O-N 3.3Å
254A98.4Very high98Very high57 Ų5756.4 Ų56.447%0.47129%0.287SS..Hα-helixtrans-59.2-41.5176.800000112.5R250 E251 W252 K258R250-A254 WeakPolarHBondContact O-CB 3.36Å; R250-A254 PolarHBondContact O-N 3.24Å; E251-A254 PolarHBondContact O-N 2.96Å; W252-A254 VanDerWaalsContact C-N 3.32Å; W252-A254 PolarHBondContact O-N 3.39Å; A254-K258 WeakPolarHBondContact O-CB 3.19Å; A254-K258 PolarHBondContact O-N 3.49Å
255A98.3Very high97.7Very high11 Ų1154.7 Ų54.79%0.09128%0.281CS..Hα-helixtrans-64.7-43.7176.200000112.4L159 K160 E251 W252 V253 A259L159-A255 HydrophobicContact CB-CB 4.44Å; K160-A255 HydrophobicContact CB-CB 4.24Å; E251-A255 PolarHBondContact O-N 2.75Å; W252-A255 PolarHBondContact O-N 2.91Å; V253-A255 VanDerWaalsContact C-N 3.32Å; V253-A255 PolarHBondContact O-N 3.4Å; A255-A259 PolarHBondContact O-N 3.04Å
256F98.6Very high97.4Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-67.4-44.1176.7-63.7-49.6000112.1M164 M182 L187 I204 V213 I230 I232 F241 W252 V253 K258 A259 V260M164-F256 HydrophobicContact CE-CZ 4.33Å; M182-F256 HydrophobicContact CE-CD1 4.07Å; M182-F256 HydrophobicContact CE-CE1 4.48Å; M182-F256 HydrophobicContact SD-CD1 4.27Å; M182-F256 HydrophobicContact SD-CE1 4.09Å; L187-F256 HydrophobicContact CD1-CE1 3.85Å; L187-F256 HydrophobicContact CD1-CZ 4.06Å; L187-F256 HydrophobicContact CD2-CE1 3.76Å; L187-F256 HydrophobicContact CD2-CZ 3.87Å; L187-F256 HydrophobicContact CG-CE1 4.26Å; I204-F256 HydrophobicContact CG1-CD1 4.38Å; V213-F256 HydrophobicContact CB-CB 4.4Å; V213-F256 HydrophobicContact CG1-CB 4.01Å; V213-F256 HydrophobicContact CG1-CD2 4.43Å; V213-F256 HydrophobicContact CG2-CB 3.5Å; V213-F256 VanDerWaalsContact CG2-CB 3.5Å; I230-F256 HydrophobicContact CD1-CE2 4.44Å; I230-F256 HydrophobicContact CG2-CD2 4.28Å; I230-F256 HydrophobicContact CG2-CE2 4.38Å; I232-F256 HydrophobicContact CD1-CD1 3.69Å; I232-F256 HydrophobicContact CD1-CD2 3.74Å; I232-F256 HydrophobicContact CD1-CE1 3.69Å; I232-F256 HydrophobicContact CD1-CE2 3.74Å; I232-F256 HydrophobicContact CD1-CG 3.74Å; I232-F256 HydrophobicContact CD1-CZ 3.72Å; I232-F256 HydrophobicContact CG1-CD2 4.37Å; F241-F256 HydrophobicContact CD2-CE2 4.37Å; F241-F256 HydrophobicContact CD2-CZ 4.4Å; F241-F256 HydrophobicContact CE2-CZ 4.26Å; W252-F256 HydrophobicContact CB-CE2 4.1Å; W252-F256 HydrophobicContact CE3-CE1 4.37Å; W252-F256 HydrophobicContact CE3-CE2 4Å; W252-F256 AromaticContact CE3-CZ 3.72Å; W252-F256 HydrophobicContact CE3-CZ 3.72Å; W252-F256 HydrophobicContact CZ3-CZ 4.19Å; W252-F256 WeakPolarHBondContact O-CD2 3.41Å; W252-F256 WeakPolarHBondContact O-CG 3.41Å; W252-F256 PolarHBondContact O-N 2.88Å; V253-F256 PolarHBondContact O-N 3.2Å; F256-K258 VanDerWaalsContact C-N 3.3Å; F256-K258 PolarHBondContact O-N 3.44Å; F256-A259 WeakPolarHBondContact O-CB 3.3Å; F256-A259 PolarHBondContact O-N 2.84Å; F256-V260 WeakPolarHBondContact O-CG2 3.33Å; F256-V260 PolarHBondContact O-N 2.87Å
257Q98.3Very high96.9Very high62 Ų6255.8 Ų55.829%0.2929%0.291SS..Hα-helixtrans-61.6-40.8-179.9-167.460.945.800111V253 A259 V260 D261V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 PolarHBondContact O-N 3.3Å; Q257-A259 VanDerWaalsContact C-N 3.27Å; Q257-A259 PolarHBondContact O-N 2.89Å; Q257-V260 PolarHBondContact O-N 3.44Å; Q257-D261 WeakPolarHBondContact CG-OD2 3.48Å; Q257-D261 PolarHBondContact NE2-OD1 3.31Å; Q257-D261 PolarHBondContact NE2-OD2 3.5Å; Q257-D261 WeakPolarHBondContact O-CB 3.47Å; Q257-D261 PolarHBondContact O-N 2.84Å
258K97.6Very high96.6Very high134 Ų13453.4 Ų53.458%0.58327%0.273SS*.Hα-helixtrans-57.7-38.3173.7-175178.4-178.5178.90112.8A254 F256 R262A254-K258 WeakPolarHBondContact O-CB 3.19Å; A254-K258 PolarHBondContact O-N 3.49Å; F256-K258 VanDerWaalsContact C-N 3.3Å; F256-K258 PolarHBondContact O-N 3.44Å; K258-R262 WeakPolarHBondContact O-CB 3.37Å; K258-R262 PolarHBondContact O-N 3.02Å
259A97.4Very high96.4Very high2 Ų256.6 Ų56.62%0.01728%0.282CS..Hα-helixtrans-72.2-44.1175.600000111.4M182 R185 I204 A255 F256 Q257 R262M182-A259 HydrophobicContact CE-CB 3.8Å; R185-A259 PolarHBondContact NH1-O 2.82Å; I204-A259 HydrophobicContact CB-CB 4.41Å; I204-A259 HydrophobicContact CG2-CB 3.92Å; A255-A259 PolarHBondContact O-N 3.04Å; F256-A259 WeakPolarHBondContact O-CB 3.3Å; F256-A259 PolarHBondContact O-N 2.84Å; Q257-A259 VanDerWaalsContact C-N 3.27Å; Q257-A259 PolarHBondContact O-N 2.89Å; A259-R262 PolarHBondContact O-N 2.67Å
260V98.3Very high96Very high3 Ų358.3 Ų58.32%0.01830%0.3CS..Hα-helixtrans-66.1-38.2-178.3167.70000112.9I204 G205 S206 K207 Y211 V213 F256 Q257 R262I204-V260 HydrophobicContact CG2-CG2 3.86Å; G205-V260 WeakPolarHBondContact O-CA 3.43Å; S206-V260 CarbonylContact C-O 3.55Å; S206-V260 VanDerWaalsContact CA-O 3.29Å; S206-V260 WeakPolarHBondContact CA-O 3.24Å; K207-V260 HydrophobicContact CB-CG1 3.81Å; K207-V260 PolarHBondContact N-O 2.94Å; Y211-V260 VanDerWaalsContact O-CG1 3.3Å; Y211-V260 WeakPolarHBondContact O-CG1 3.31Å; V213-V260 HydrophobicContact CG2-CG2 3.85Å; F256-V260 WeakPolarHBondContact O-CG2 3.33Å; F256-V260 PolarHBondContact O-N 2.87Å; Q257-V260 PolarHBondContact O-N 3.44Å; V260-R262 VanDerWaalsContact C-N 3.34Å
261D98.1Very high95.6Very high71 Ų7153.9 Ų53.938%0.3829%0.29SS..Hα-helixtrans-79-16.9179.9-79.4-38.7000114.1K207 Q257 P263K207-D261 IonicContact NZ-OD1 3.5Å; K207-D261 PolarHBondContact NZ-OD1 3.28Å; Q257-D261 WeakPolarHBondContact CG-OD2 3.48Å; Q257-D261 PolarHBondContact NE2-OD1 3.31Å; Q257-D261 PolarHBondContact NE2-OD2 3.5Å; Q257-D261 WeakPolarHBondContact O-CB 3.47Å; Q257-D261 PolarHBondContact O-N 2.84Å; D261-P263 WeakPolarHBondContact O-CD 3.34Å
262R96.9Very high95.4Very high83 Ų8349.9 Ų49.931%0.31327%0.271SS..SBendtrans-79.9125.6175.1-171179.978.2-157.37.9108.9D184 R185 S206 K258 A259 V260 E268D184-R262 VanDerWaalsContact CG-NH2 3.27Å; D184-R262 IonicContact OD1-CZ 2.67Å; D184-R262 VanDerWaalsContact OD1-CZ 3.23Å; D184-R262 IonicContact OD1-NH1 2.87Å; D184-R262 PolarHBondContact OD1-NH1 2.64Å; D184-R262 IonicContact OD1-NH2 3Å; D184-R262 PolarHBondContact OD1-NH2 2.85Å; D184-R262 IonicContact OD2-NH2 2.77Å; D184-R262 PolarHBondContact OD2-NH2 2.93Å; R185-R262 PolarHBondContact NH2-O 2.84Å; S206-R262 WeakPolarHBondContact CB-O 3.47Å; K258-R262 WeakPolarHBondContact O-CB 3.37Å; K258-R262 PolarHBondContact O-N 3.02Å; A259-R262 PolarHBondContact O-N 2.67Å; V260-R262 VanDerWaalsContact C-N 3.34Å; R262-E268 IonicContact CZ-OE1 2.74Å; R262-E268 IonicContact NH2-OE1 3.38Å; R262-E268 PolarHBondContact NH2-OE1 2.8Å
263P96.9Very high94.9Very high86 Ų8651.6 Ų51.656%0.55829%0.285SS*.PPolyproline II helixtrans-56.3148169.7-25.835.4000111.6R185 D261R185-P263 PolarHBondContact NH2-O 3.48Å; R185-P263 VanDerWaalsContact NH2-O 3.14Å; D261-P263 WeakPolarHBondContact O-CD 3.34Å
264M96.3Very high94.3Very high13 Ų1356 Ų566%0.06431%0.305CS..PPolyproline II helixtrans-75.2135.8176.8-67.6-164.3-57.100111.6F203 S209 E268 Y269F203-M264 HydrophobicContact CE1-SD 3.59Å; F203-M264 VanDerWaalsContact CE1-SD 3.59Å; F203-M264 HydrophobicContact CZ-SD 3.79Å; S209-M264 WeakPolarHBondContact OG-CE 3.45Å; M264-E268 WeakPolarHBondContact CA-OE2 3.34Å; M264-E268 HydrophobicContact CB-CB 4.25Å; M264-Y269 HydrophobicContact CB-CD2 4.26Å; M264-Y269 HydrophobicContact CB-CE1 4.44Å; M264-Y269 HydrophobicContact CB-CE2 3.73Å; M264-Y269 HydrophobicContact CE-CD1 3.54Å; M264-Y269 HydrophobicContact CE-CE1 3.31Å; M264-Y269 HydrophobicContact CE-CE2 4.48Å; M264-Y269 HydrophobicContact CE-CG 4.23Å
265L92Very high93.6Very high73 Ų7354.8 Ų54.838%0.38229%0.289SS..PPolyproline II helixtrans-73.4154.3170.6-59.1175.4000110Q267 E268 Y269L265-Q267 VanDerWaalsContact C-N 3.27Å; L265-Q267 VanDerWaalsContact CD1-NE2 3.32Å; L265-Q267 PolarHBondContact O-N 2.74Å; L265-Q267 VanDerWaalsContact O-N 3.14Å; L265-E268 HydrophobicContact CB-CG 4.04Å; L265-E268 PolarHBondContact N-OE2 3.5Å; L265-E268 WeakPolarHBondContact O-CA 3.42Å; L265-E268 WeakPolarHBondContact O-CB 3.41Å; L265-E268 PolarHBondContact O-N 3.01Å; L265-Y269 WeakPolarHBondContact O-CD2 3.35Å
266P91Very high92.6Very high107 Ų10758.4 Ų58.470%0.69530%0.303SS*.Hα-helixtrans-49.8-44.3-178.6-30.636.7000114.1E268 Y269P266-E268 VanDerWaalsContact C-N 3.28Å; P266-E268 PolarHBondContact O-N 2.78Å; P266-Y269 PolarHBondContact O-N 3.37Å
267Q88.2Confident91Very high75 Ų7565.8 Ų65.835%0.3534%0.337SS..Hα-helixtrans-68-23.4178.166.2-83.214.300114L265 Y269 A270 V271L265-Q267 VanDerWaalsContact C-N 3.27Å; L265-Q267 VanDerWaalsContact CD1-NE2 3.32Å; L265-Q267 PolarHBondContact O-N 2.74Å; L265-Q267 VanDerWaalsContact O-N 3.14Å; Q267-Y269 VanDerWaalsContact C-N 3.34Å; Q267-A270 PolarHBondContact O-N 3.49Å; Q267-V271 WeakPolarHBondContact O-CG2 3.21Å; Q267-V271 PolarHBondContact O-N 3.01Å
268E92.9Very high89.1Confident15 Ų1566.6 Ų66.67%0.0734%0.339CS..Hα-helixtrans-73.6-26.1179.9-64.9177.8143.700111.9R185 F203 R262 M264 L265 P266 V271 E272R185-E268 WeakPolarHBondContact CD-OE1 3.36Å; R185-E268 IonicContact CZ-OE2 3.07Å; R185-E268 IonicContact NE-OE1 3.23Å; R185-E268 PolarHBondContact NE-OE1 3.45Å; R185-E268 IonicContact NE-OE2 2.78Å; R185-E268 PolarHBondContact NE-OE2 2.71Å; R185-E268 IonicContact NH2-OE2 2.79Å; R185-E268 PolarHBondContact NH2-OE2 2.86Å; F203-E268 HydrophobicContact CZ-CB 4.4Å; R262-E268 IonicContact CZ-OE1 2.74Å; R262-E268 IonicContact NH2-OE1 3.38Å; R262-E268 PolarHBondContact NH2-OE1 2.8Å; M264-E268 WeakPolarHBondContact CA-OE2 3.34Å; M264-E268 HydrophobicContact CB-CB 4.25Å; L265-E268 HydrophobicContact CB-CG 4.04Å; L265-E268 PolarHBondContact N-OE2 3.5Å; L265-E268 WeakPolarHBondContact O-CA 3.42Å; L265-E268 WeakPolarHBondContact O-CB 3.41Å; L265-E268 PolarHBondContact O-N 3.01Å; P266-E268 VanDerWaalsContact C-N 3.28Å; P266-E268 PolarHBondContact O-N 2.78Å; E268-V271 WeakPolarHBondContact O-CB 3.35Å; E268-V271 PolarHBondContact O-N 3.37Å; E268-E272 PolarHBondContact O-N 3.32Å
269Y93.1Very high86.4Confident117 Ų11769.7 Ų69.746%0.45937%0.373SS..Hα-helixtrans-64.6-40.7173.7-69.9-87.3000112.1M264 L265 P266 Q267 V271 E272 A273M264-Y269 HydrophobicContact CB-CD2 4.26Å; M264-Y269 HydrophobicContact CB-CE1 4.44Å; M264-Y269 HydrophobicContact CB-CE2 3.73Å; M264-Y269 HydrophobicContact CE-CD1 3.54Å; M264-Y269 HydrophobicContact CE-CE1 3.31Å; M264-Y269 HydrophobicContact CE-CE2 4.48Å; M264-Y269 HydrophobicContact CE-CG 4.23Å; L265-Y269 WeakPolarHBondContact O-CD2 3.35Å; P266-Y269 PolarHBondContact O-N 3.37Å; Q267-Y269 VanDerWaalsContact C-N 3.34Å; Y269-V271 VanDerWaalsContact C-N 3.3Å; Y269-V271 PolarHBondContact O-N 3.47Å; Y269-E272 PolarHBondContact O-N 3.03Å; Y269-A273 PolarHBondContact O-N 2.9Å
270A90Very high85.8Confident56 Ų5673.1 Ų73.146%0.46339%0.391SS..Hα-helixtrans-63.9-39.2174.300000111.2Q267 A273 H274Q267-A270 PolarHBondContact O-N 3.49Å; A270-A273 PolarHBondContact O-N 3.26Å; A270-H274 PolarHBondContact O-CD2 2.93Å; A270-H274 PolarHBondContact O-N 3.36Å
271V90.1Very high85.1Confident57 Ų5776.8 Ų76.835%0.34541%0.411SS..Hα-helixtrans-63.6-46.8174.4178.60000110.9F203 Q267 E268 Y269 A273 H274 F275F203-V271 HydrophobicContact CD2-CG1 4.01Å; F203-V271 HydrophobicContact CE2-CB 4.28Å; F203-V271 HydrophobicContact CE2-CG1 3.89Å; Q267-V271 WeakPolarHBondContact O-CG2 3.21Å; Q267-V271 PolarHBondContact O-N 3.01Å; E268-V271 WeakPolarHBondContact O-CB 3.35Å; E268-V271 PolarHBondContact O-N 3.37Å; Y269-V271 VanDerWaalsContact C-N 3.3Å; Y269-V271 PolarHBondContact O-N 3.47Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 3.32Å; V271-H274 WeakPolarHBondContact O-CB 3.43Å; V271-H274 PolarHBondContact O-N 3.02Å; V271-H274 VanDerWaalsContact O-N 3.14Å; V271-F275 HydrophobicContact CG1-CD2 4.33Å; V271-F275 HydrophobicContact CG1-CE2 4.02Å; V271-F275 WeakPolarHBondContact O-CD2 3.41Å; V271-F275 PolarHBondContact O-N 3.3Å
272E92.9Very high84.4Confident13 Ų1377.1 Ų77.16%0.06141%0.412CS..Hα-helixtrans-56.3-46.1177.1-171.5-160.2-156.400111.5F203 Y211 E268 Y269 H274 F275 K276F203-E272 HydrophobicContact CD1-CB 3.87Å; F203-E272 HydrophobicContact CD1-CG 3.62Å; F203-E272 HydrophobicContact CE1-CB 3.56Å; F203-E272 HydrophobicContact CE1-CG 3.64Å; F203-E272 HydrophobicContact CE2-CB 4.49Å; F203-E272 HydrophobicContact CG-CB 4.43Å; F203-E272 HydrophobicContact CG-CG 4.43Å; F203-E272 HydrophobicContact CZ-CB 3.9Å; F203-E272 HydrophobicContact CZ-CG 4.47Å; Y211-E272 WeakPolarHBondContact CE2-OE1 3.35Å; Y211-E272 PolarHBondContact OH-OE1 3.46Å; E268-E272 PolarHBondContact O-N 3.32Å; Y269-E272 PolarHBondContact O-N 3.03Å; E272-H274 PolarHBondContact O-N 3.45Å; E272-F275 WeakPolarHBondContact O-CB 3.44Å; E272-F275 PolarHBondContact O-N 3.13Å; E272-K276 PolarHBondContact O-N 3.35Å; E272-K276 WeakPolarHBondContact OE1-CE 3.4Å; E272-K276 IonicContact OE1-NZ 3.09Å; E272-K276 PolarHBondContact OE1-NZ 3.42Å; E272-K276 IonicContact OE2-NZ 3.72Å; E272-K276 PolarHBondContact OE2-NZ 2.86Å
273A89Confident83.7Confident37 Ų3776.8 Ų76.831%0.30642%0.418SS..Hα-helixtrans-56.6-39.5178.100000111.7Y269 A270 V271 F275 K276 H277Y269-A273 PolarHBondContact O-N 2.9Å; A270-A273 PolarHBondContact O-N 3.26Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 3.32Å; A273-F275 PolarHBondContact O-N 3.07Å; A273-K276 PolarHBondContact O-N 3.44Å; A273-H277 PolarHBondContact O-N 2.78Å; A273-H277 PolarHBondContact O-ND1 3.36Å
274H86.1Confident82.9Confident105 Ų10576.2 Ų76.249%0.48641%0.409SS..Hα-helixtrans-63.8-24.2175.8-71.5-46.5000114.4N108 A270 V271 E272N108-H274 PolarHBondContact ND2-O 3.28Å; A270-H274 PolarHBondContact O-CD2 2.93Å; A270-H274 PolarHBondContact O-N 3.36Å; V271-H274 WeakPolarHBondContact O-CB 3.43Å; V271-H274 PolarHBondContact O-N 3.02Å; V271-H274 VanDerWaalsContact O-N 3.14Å; E272-H274 PolarHBondContact O-N 3.45Å
275F84.4Confident82Confident30 Ų3080.4 Ų80.413%0.13243%0.432CS..Hα-helixtrans-81.6-33174-81.6-96.3000112.7R186 E201 F203 V271 E272 A273 H277R186-F275 HydrophobicContact CG-CZ 4.1Å; R186-F275 VanDerWaalsContact NH2-CE2 3.33Å; E201-F275 HydrophobicContact CB-CE1 3.63Å; E201-F275 HydrophobicContact CB-CZ 4.27Å; F203-F275 HydrophobicContact CB-CB 4.04Å; F203-F275 HydrophobicContact CB-CD1 4.09Å; F203-F275 HydrophobicContact CB-CD2 3.78Å; F203-F275 HydrophobicContact CB-CE1 4.48Å; F203-F275 HydrophobicContact CB-CE2 4.22Å; F203-F275 HydrophobicContact CB-CG 3.71Å; F203-F275 HydrophobicContact CD2-CD2 4.24Å; F203-F275 HydrophobicContact CD2-CE2 4.3Å; F203-F275 HydrophobicContact CG-CD2 4.36Å; V271-F275 HydrophobicContact CG1-CD2 4.33Å; V271-F275 HydrophobicContact CG1-CE2 4.02Å; V271-F275 WeakPolarHBondContact O-CD2 3.41Å; V271-F275 PolarHBondContact O-N 3.3Å; E272-F275 WeakPolarHBondContact O-CB 3.44Å; E272-F275 PolarHBondContact O-N 3.13Å; A273-F275 PolarHBondContact O-N 3.07Å; F275-H277 VanDerWaalsContact C-N 3.32Å
276K76.7Confident81.3Confident88 Ų8880.9 Ų80.938%0.38344%0.436SS..Hα-helixtrans-67.6-31.6176.9-68.8176.9177.7162.70112.7E272 A273E272-K276 PolarHBondContact O-N 3.35Å; E272-K276 WeakPolarHBondContact OE1-CE 3.4Å; E272-K276 IonicContact OE1-NZ 3.09Å; E272-K276 PolarHBondContact OE1-NZ 3.42Å; E272-K276 IonicContact OE2-NZ 3.72Å; E272-K276 PolarHBondContact OE2-NZ 2.86Å; A273-K276 PolarHBondContact O-N 3.44Å
277H65.6Low80.5Confident154 Ų15478.9 Ų78.971%0.71342%0.416SS*.THydrogen-bonded Turntrans-98.19.8-175.8-61.186.7000114.5A273 F275 P279A273-H277 PolarHBondContact O-N 2.78Å; A273-H277 PolarHBondContact O-ND1 3.36Å; F275-H277 VanDerWaalsContact C-N 3.32Å; H277-P279 WeakPolarHBondContact O-CD 3.46Å
278K57.6Low79.9Confident80 Ų8079.3 Ų79.335%0.34842%0.421SS..  trans-72.8121.4170-86.1-176.6178.5176.80108.6N108 E201N108-K278 WeakPolarHBondContact ND2-CE 3.29Å; N108-K278 VanDerWaalsContact O-CE 3.27Å; N108-K278 WeakPolarHBondContact O-CE 3.37Å; N108-K278 PolarHBondContact O-NZ 2.79Å; E201-K278 IonicContact OE2-NZ 2.74Å
279P40.1Very low78.7Confident199 Ų19985.1 Ų85.1100%1.29245%0.453SS*.  trans-62.90175.626.5-33.1000112.4H277H277-P279 WeakPolarHBondContact O-CD 3.46Å

Retrieved 279 of 279 residues in 330.1 ms (Link to these results)

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