A0A096M9G2_POEFO Loading...

AMP-dependent synthetase/ligase domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M9G2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 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
1M42.2Very low83.9Confident206 Ų20668.5 Ų68.5100%1.01536%0.361SS*.  01460-67.8-127.5174.900107.9A3M1-A3 PolarHBondContact O-N 3.05Å
2P61.8Low84.8Confident104 Ų10467.1 Ų67.168%0.67537%0.366SS*.  trans-60.4135.9173.226-32000109.1R4P2-R4 PolarHBondContact O-N 3.47Å
3A70.7Confident85.4Confident28 Ų2864.2 Ų64.223%0.23136%0.357CS..  trans-53.5132175.700000109.7M1 D8 L9M1-A3 PolarHBondContact O-N 3.05Å; A3-D8 HydrophobicContact CB-CB 3.74Å; A3-L9 HydrophobicContact CB-CD2 3.46Å; A3-L9 VanDerWaalsContact CB-CD2 3.46Å; A3-L9 HydrophobicContact CB-CG 3.84Å
4R86.1Confident86.2Confident169 Ų16960.3 Ų60.364%0.63834%0.337SS*.  trans-103.8-22.3-175.4-63.9-173.3-179.9-178.60.6112P2 D8 H200P2-R4 PolarHBondContact O-N 3.47Å; R4-D8 PolarHBondContact N-OD2 3.26Å; R4-H200 WeakPolarHBondContact O-CB 3.19Å
5T93.6Very high86.8Confident23 Ų2363 Ų6314%0.14136%0.361CS..SBendtrans-124.7171.1-177.5720000112.1Q7 D8 L9T5-Q7 VanDerWaalsContact CB-OE1 3.24Å; T5-Q7 VanDerWaalsContact OG1-CG 3.32Å; T5-Q7 WeakPolarHBondContact OG1-CG 3.5Å; T5-Q7 PolarHBondContact OG1-NE2 2.77Å; T5-Q7 PolarHBondContact OG1-OE1 3.49Å; T5-D8 PolarHBondContact N-OD2 2.85Å; T5-D8 VanDerWaalsContact N-OD2 3.1Å; T5-D8 WeakPolarHBondContact OG1-CB 3.12Å; T5-D8 PolarHBondContact OG1-N 3.25Å; T5-D8 VanDerWaalsContact OG1-N 3.1Å; T5-D8 PolarHBondContact OG1-OD1 2.78Å; T5-D8 VanDerWaalsContact OG1-OD1 3.11Å; T5-D8 PolarHBondContact OG1-OD2 2.99Å; T5-D8 VanDerWaalsContact OG1-OD2 3.13Å; T5-L9 PolarHBondContact O-N 2.82Å
6L94.4Very high87.4Confident27 Ų2767.2 Ų67.214%0.14138%0.381CS..Hα-helixtrans-70.1-42.1178.4-69.7179.7000110.8D8 L9 V10 L81 A181 H200 I203 V204 I207L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 3.19Å; L6-L9 WeakPolarHBondContact O-CB 3.04Å; L6-L9 PolarHBondContact O-N 3.03Å; L6-L9 VanDerWaalsContact O-N 3.16Å; L6-V10 PolarHBondContact O-N 3.4Å; L6-L81 HydrophobicContact CB-CD1 4.02Å; L6-L81 HydrophobicContact CD1-CD1 4.25Å; L6-A181 HydrophobicContact CD1-CB 3.93Å; L6-A181 HydrophobicContact CG-CB 4.5Å; L6-H200 PolarHBondContact N-CE1 2.97Å; L6-H200 PolarHBondContact N-ND1 3.29Å; L6-H200 VanDerWaalsContact N-ND1 3.11Å; L6-I203 HydrophobicContact CD1-CG2 4.18Å; L6-I203 HydrophobicContact CD2-CG1 4.26Å; L6-I203 HydrophobicContact CD2-CG2 3.85Å; L6-I203 HydrophobicContact CG-CG2 4.07Å; L6-V204 HydrophobicContact CD2-CG2 4.19Å; L6-I207 HydrophobicContact CD2-CD1 3.24Å
7Q94.6Very high87.9Confident23 Ų2367.6 Ų67.611%0.10738%0.379CS..Hα-helixtrans-62.2-37.8175.562.5-8123.300111.6T5 L9 V10 S11 L78 L81 Q82 H200T5-Q7 VanDerWaalsContact CB-OE1 3.24Å; T5-Q7 VanDerWaalsContact OG1-CG 3.32Å; T5-Q7 WeakPolarHBondContact OG1-CG 3.5Å; T5-Q7 PolarHBondContact OG1-NE2 2.77Å; T5-Q7 PolarHBondContact OG1-OE1 3.49Å; Q7-L9 VanDerWaalsContact C-N 3.3Å; Q7-L9 PolarHBondContact O-N 2.98Å; Q7-V10 PolarHBondContact O-N 2.98Å; Q7-S11 WeakPolarHBondContact O-CB 3.39Å; Q7-S11 PolarHBondContact O-N 2.81Å; Q7-S11 PolarHBondContact O-OG 3.03Å; Q7-L78 HydrophobicContact CB-CD2 4.01Å; Q7-L81 HydrophobicContact CB-CB 4.45Å; Q7-L81 HydrophobicContact CG-CB 4.5Å; Q7-L81 PolarHBondContact NE2-O 2.9Å; Q7-Q82 HydrophobicContact CB-CG 3.95Å; Q7-Q82 HydrophobicContact CG-CG 4.02Å; Q7-H200 PolarHBondContact OE1-CE1 3.43Å
8D94.3Very high88.4Confident66 Ų6666.6 Ų66.635%0.35338%0.376SS..Hα-helixtrans-60.3-40.1173.5-66.2-15.7000112.1A3 R4 T5 L6 V10 A12A3-D8 HydrophobicContact CB-CB 3.74Å; R4-D8 PolarHBondContact N-OD2 3.26Å; T5-D8 PolarHBondContact N-OD2 2.85Å; T5-D8 VanDerWaalsContact N-OD2 3.1Å; T5-D8 WeakPolarHBondContact OG1-CB 3.12Å; T5-D8 PolarHBondContact OG1-N 3.25Å; T5-D8 VanDerWaalsContact OG1-N 3.1Å; T5-D8 PolarHBondContact OG1-OD1 2.78Å; T5-D8 VanDerWaalsContact OG1-OD1 3.11Å; T5-D8 PolarHBondContact OG1-OD2 2.99Å; T5-D8 VanDerWaalsContact OG1-OD2 3.13Å; L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 3.19Å; D8-V10 VanDerWaalsContact C-N 3.34Å; D8-A12 VanDerWaalsContact O-CB 3.24Å; D8-A12 WeakPolarHBondContact O-CB 3.32Å; D8-A12 PolarHBondContact O-N 3.27Å
9L94.7Very high88.9Confident28 Ų2868.5 Ų68.515%0.14739%0.385CS..Hα-helixtrans-63.4-42.6178.4-70.4172.6000111.1A3 T5 L6 Q7 A13 V204 I207 L208A3-L9 HydrophobicContact CB-CD2 3.46Å; A3-L9 VanDerWaalsContact CB-CD2 3.46Å; A3-L9 HydrophobicContact CB-CG 3.84Å; T5-L9 PolarHBondContact O-N 2.82Å; L6-L9 WeakPolarHBondContact O-CB 3.04Å; L6-L9 PolarHBondContact O-N 3.03Å; L6-L9 VanDerWaalsContact O-N 3.16Å; Q7-L9 VanDerWaalsContact C-N 3.3Å; Q7-L9 PolarHBondContact O-N 2.98Å; L9-A13 PolarHBondContact O-N 3.37Å; L9-A13 VanDerWaalsContact O-N 3.09Å; L9-V204 HydrophobicContact CD1-CG1 4.2Å; L9-V204 HydrophobicContact CD1-CG2 4.26Å; L9-I207 HydrophobicContact CD1-CB 4.32Å; L9-I207 HydrophobicContact CD1-CD1 4.43Å; L9-I207 HydrophobicContact CD1-CG2 4.02Å; L9-L208 HydrophobicContact CD2-CD2 3.7Å; L9-L208 HydrophobicContact CD2-CG 4.26Å
10V95.3Very high89.3Confident43 Ų4371.7 Ų71.726%0.26139%0.391SS..Hα-helixtrans-70.1-45.5178.9179.80000111.1L6 Q7 D8 A12 A13 A14 V42 L78L6-V10 PolarHBondContact O-N 3.4Å; Q7-V10 PolarHBondContact O-N 2.98Å; D8-V10 VanDerWaalsContact C-N 3.34Å; V10-A12 VanDerWaalsContact C-N 3.3Å; V10-A12 PolarHBondContact O-N 2.92Å; V10-A13 PolarHBondContact O-N 2.78Å; V10-A13 VanDerWaalsContact O-N 3.12Å; V10-A14 WeakPolarHBondContact O-CB 3.39Å; V10-A14 PolarHBondContact O-N 2.96Å; V10-V42 HydrophobicContact CG1-CG2 4.35Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CB-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG2-CD1 4.34Å; V10-L78 HydrophobicContact CG2-CD2 3.94Å
11S95.2Very high89.6Confident37 Ų3771 Ų7126%0.25939%0.394SS..Hα-helixtrans-60.7-38.8177-63.20000112.1Q7 A14 S15Q7-S11 WeakPolarHBondContact O-CB 3.39Å; Q7-S11 PolarHBondContact O-N 2.81Å; Q7-S11 PolarHBondContact O-OG 3.03Å; S11-A14 PolarHBondContact O-N 3.04Å; S11-S15 WeakPolarHBondContact O-CB 3.4Å; S11-S15 PolarHBondContact O-N 3.34Å; S11-S15 PolarHBondContact O-OG 3.47Å
12A94.5Very high92.2Very high51 Ų5163 Ų6342%0.42136%0.361SS..Hα-helixtrans-64.6-41.8174.200000112.2D8 V10 L16D8-A12 VanDerWaalsContact O-CB 3.24Å; D8-A12 WeakPolarHBondContact O-CB 3.32Å; D8-A12 PolarHBondContact O-N 3.27Å; V10-A12 VanDerWaalsContact C-N 3.3Å; V10-A12 PolarHBondContact O-N 2.92Å; A12-L16 PolarHBondContact O-N 2.85Å
13A93.4Very high93.8Very high30 Ų3059 Ų5925%0.24834%0.335CS..Hα-helixtrans-65.7-42.9175.500000111.8L9 V10 S15 L16 H17 Y38L9-A13 PolarHBondContact O-N 3.37Å; L9-A13 VanDerWaalsContact O-N 3.09Å; V10-A13 PolarHBondContact O-N 2.78Å; V10-A13 VanDerWaalsContact O-N 3.12Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.87Å; A13-L16 PolarHBondContact O-N 3.35Å; A13-L16 VanDerWaalsContact O-N 3.14Å; A13-H17 PolarHBondContact O-N 3.22Å; A13-Y38 HydrophobicContact CB-CE1 4.01Å
14A95.9Very high95Very high9 Ų963.9 Ų63.97%0.07436%0.356CS..Hα-helixtrans-64.4-36.5179.300000112.7V10 S11 L16 H17 P18 Y38 V42V10-A14 WeakPolarHBondContact O-CB 3.39Å; V10-A14 PolarHBondContact O-N 2.96Å; S11-A14 PolarHBondContact O-N 3.04Å; A14-L16 PolarHBondContact O-N 2.93Å; A14-H17 CarbonylContact O-C 3.57Å; A14-H17 PolarHBondContact O-N 3.41Å; A14-P18 VanDerWaalsContact O-CA 3.26Å; A14-P18 WeakPolarHBondContact O-CA 3.47Å; A14-P18 VanDerWaalsContact O-CD 3.31Å; A14-P18 WeakPolarHBondContact O-CD 3.29Å; A14-Y38 HydrophobicContact CB-CD1 3.99Å; A14-Y38 HydrophobicContact CB-CG 4.33Å; A14-V42 HydrophobicContact CB-CB 4.5Å; A14-V42 HydrophobicContact CB-CG2 3.51Å
15S96.3Very high95.3Very high101 Ų10158.4 Ų58.471%0.70634%0.336SS*.Hα-helixtrans-62.9-30.7175.1-60.80000112.7S11 A13S11-S15 WeakPolarHBondContact O-CB 3.4Å; S11-S15 PolarHBondContact O-N 3.34Å; S11-S15 PolarHBondContact O-OG 3.47Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.87Å
16L96.2Very high95.2Very high130 Ų13061.8 Ų61.868%0.68135%0.353SS*.Hα-helixtrans-86.4-28.1178.3-66.7172.5000112.8A12 A13 A14A12-L16 PolarHBondContact O-N 2.85Å; A13-L16 PolarHBondContact O-N 3.35Å; A13-L16 VanDerWaalsContact O-N 3.14Å; A14-L16 PolarHBondContact O-N 2.93Å
17H95.6Very high94.8Very high74 Ų7463.5 Ų63.534%0.34337%0.368SS..  trans-137.952.7-170-59.3-45.9000113.1A13 A14 D19 R20 Y38A13-H17 PolarHBondContact O-N 3.22Å; A14-H17 CarbonylContact O-C 3.57Å; A14-H17 PolarHBondContact O-N 3.41Å; H17-D19 PolarHBondContact O-N 3.23Å; H17-R20 HydrophobicContact CB-CB 4.26Å; H17-R20 HydrophobicContact CB-CG 4.12Å; H17-R20 PolarHBondContact O-N 3.38Å; H17-Y38 HydrophobicContact CB-CD2 4.47Å; H17-Y38 WeakPolarHBondContact O-CB 3.35Å; H17-Y38 WeakPolarHBondContact O-CD2 3.28Å
18P96.8Very high94.3Very high49 Ų4965.6 Ų65.632%0.31840%0.395SS..THydrogen-bonded Turntrans-61.6-33.3-169.524.7-35000113.2A14 R39A14-P18 VanDerWaalsContact O-CA 3.26Å; A14-P18 WeakPolarHBondContact O-CA 3.47Å; A14-P18 VanDerWaalsContact O-CD 3.31Å; A14-P18 WeakPolarHBondContact O-CD 3.29Å; P18-R39 HydrophobicContact CB-CB 4.01Å; P18-R39 WeakPolarHBondContact O-CB 3.49Å; P18-R39 WeakPolarHBondContact O-CG 3.12Å; P18-R39 PolarHBondContact O-N 3.07Å
19D97.9Very high93.6Very high103 Ų10365.7 Ų65.755%0.55140%0.401SS*.THydrogen-bonded Turntrans-99.48.6-172-51.9-27.1000113.1H17 L37 R39H17-D19 PolarHBondContact O-N 3.23Å; D19-L37 WeakPolarHBondContact O-CD2 3.48Å; D19-R39 IonicContact OD1-CZ 3.57Å; D19-R39 IonicContact OD1-NE 2.67Å; D19-R39 IonicContact OD1-NH1 2.61Å; D19-R39 PolarHBondContact OD1-NH1 3.06Å
20R96.4Very high92.9Very high133 Ų13368 Ų6850%0.50243%0.431SS..SBendtrans-87.2145173-70.2-168176.7173.7-5.2110.1H17 A22 L37 Y38H17-R20 HydrophobicContact CB-CB 4.26Å; H17-R20 HydrophobicContact CB-CG 4.12Å; H17-R20 PolarHBondContact O-N 3.38Å; R20-A22 PolarHBondContact O-N 3.49Å; R20-L37 CarbonylContact O-C 3.42Å; R20-L37 VanDerWaalsContact O-CA 3.29Å; R20-L37 WeakPolarHBondContact O-CA 3.38Å; R20-Y38 HydrophobicContact CB-CD2 4.07Å; R20-Y38 HydrophobicContact CB-CE2 4.38Å; R20-Y38 WeakPolarHBondContact O-CD2 3.31Å; R20-Y38 PolarHBondContact O-N 3.46Å
21A96.5Very high92.3Very high56 Ų5672.5 Ų72.546%0.46345%0.45SS..EExtended strand (participates in β ladder)trans-59.3125.216900000109.7L24A21-L24 HydrophobicContact CB-CD2 4.29Å
22A95.6Very high91.7Very high38 Ų3877 Ų7731%0.31448%0.476SS..EExtended strand (participates in β ladder)trans-102-35.4176.800000111.6R20 L36 Y38 V41R20-A22 PolarHBondContact O-N 3.49Å; A22-L36 PolarHBondContact N-O 2.93Å; A22-Y38 HydrophobicContact CB-CD1 3.94Å; A22-Y38 HydrophobicContact CB-CD2 3.67Å; A22-Y38 HydrophobicContact CB-CE1 4.14Å; A22-Y38 HydrophobicContact CB-CE2 3.85Å; A22-Y38 HydrophobicContact CB-CG 3.71Å; A22-V41 HydrophobicContact CB-CG2 3.96Å
23V96.3Very high91.4Very high22 Ų2278.3 Ų78.313%0.13348%0.48CS..EExtended strand (participates in β ladder)trans-130.8133.5179.7-166.20000108.5S35 L36 V41 L71 P74V23-S35 VanDerWaalsContact O-CA 3.27Å; V23-S35 WeakPolarHBondContact O-CA 3.48Å; V23-S35 PolarHBondContact O-OG 2.89Å; V23-L36 HydrophobicContact CB-CB 4.27Å; V23-L36 HydrophobicContact CG2-CB 4.41Å; V23-L36 PolarHBondContact N-O 3.37Å; V23-L36 VanDerWaalsContact N-O 3.12Å; V23-L36 PolarHBondContact O-N 3.08Å; V23-V41 HydrophobicContact CG2-CG2 3.76Å; V23-L71 HydrophobicContact CB-CD1 4.13Å; V23-L71 HydrophobicContact CG1-CD1 3.86Å; V23-P74 HydrophobicContact CG1-CG 4.12Å; V23-P74 HydrophobicContact CG2-CB 4.04Å; V23-P74 HydrophobicContact CG2-CG 3.73Å
24L94.7Very high91.3Very high130 Ų13078.2 Ų78.268%0.68148%0.482SS*.EExtended strand (participates in β ladder)trans-121.9131.8166.2-63.4174.8000106.6A21 G34 S35A21-L24 HydrophobicContact CB-CD2 4.29Å; L24-G34 WeakPolarHBondContact CA-O 3.43Å; L24-S35 WeakPolarHBondContact CD2-OG 3.37Å
25Y93.3Very high91.3Very high54 Ų5480.4 Ų80.421%0.21250%0.496CS..EExtended strand (participates in β ladder)trans-134.9120.7-178.1-179.3-110.1000110.1P33 G34 D69 L71Y25-P33 CarbonylContact O-C 3.51Å; Y25-P33 VanDerWaalsContact O-CA 3.27Å; Y25-P33 WeakPolarHBondContact O-CA 3.37Å; Y25-P33 WeakPolarHBondContact O-CB 3.17Å; Y25-G34 PolarHBondContact N-O 3.25Å; Y25-G34 PolarHBondContact O-N 2.87Å; Y25-D69 HydrophobicContact CE2-CB 4Å; Y25-D69 WeakPolarHBondContact CE2-OD2 3.07Å; Y25-D69 PolarHBondContact OH-O 3.45Å; Y25-D69 PolarHBondContact OH-OD2 2.91Å; Y25-L71 HydrophobicContact CD1-CB 4.01Å; Y25-L71 HydrophobicContact CG-CB 4.13Å
26D91.9Very high91.3Very high93 Ų9376.5 Ų76.550%0.49747%0.468SS..  trans-107.2116.1172-174.2-9.1000107.7G28 P33D26-G28 PolarHBondContact O-N 3.4Å; D26-G28 PolarHBondContact OD1-N 3.03Å; D26-P33 HydrophobicContact CB-CB 4.27Å; D26-P33 HydrophobicContact CB-CG 4.21Å
27S84.9Confident91.4Very high64 Ų6471.9 Ų71.945%0.44844%0.444SS..  trans-74.1-5.4178.355.40000112.8S29S27-S29 PolarHBondContact O-N 3.01Å; S27-S29 PolarHBondContact OG-OG 3.37Å
28G84.1Confident91.6Very high66 Ų6671.6 Ų71.668%0.6844%0.44SS*.SBendtrans70.77.9-173.900000113.7D26 G30D26-G28 PolarHBondContact O-N 3.4Å; D26-G28 PolarHBondContact OD1-N 3.03Å; G28-G30 PolarHBondContact O-N 2.89Å
29S80.9Confident91.6Very high68 Ų6875.2 Ų75.248%0.47645%0.447SS..SBendtrans-75.4-7.517865.70000113.4S27 E31S27-S29 PolarHBondContact O-N 3.01Å; S27-S29 PolarHBondContact OG-OG 3.37Å; S29-E31 WeakPolarHBondContact OG-CB 3.43Å; S29-E31 WeakPolarHBondContact OG-CG 3.15Å; S29-E31 PolarHBondContact OG-N 3.32Å; S29-E31 PolarHBondContact OG-OE2 3.41Å
30G78.8Confident91.7Very high77 Ų7773.8 Ų73.879%0.79444%0.437SS*.SBendtrans79.45-172.300000113.8G28G28-G30 PolarHBondContact O-N 2.89Å
31E83.9Confident91.7Very high138 Ų13867.7 Ų67.765%0.64542%0.415SS*.SBendtrans-79167.3171.2-65.9171.1147.900111.2S29S29-E31 WeakPolarHBondContact OG-CB 3.43Å; S29-E31 WeakPolarHBondContact OG-CG 3.15Å; S29-E31 PolarHBondContact OG-N 3.32Å; S29-E31 PolarHBondContact OG-OE2 3.41Å
32T82.3Confident91.8Very high132 Ų13265.9 Ų65.981%0.8140%0.398SS*.PPolyproline II helixtrans-61.7128.4174.347.90000110.2G34T32-G34 PolarHBondContact O-N 2.77Å
33P88.3Confident92Very high77 Ų7768.6 Ų68.650%0.540%0.404SS..PPolyproline II helixtrans-54.2133.3178.4-26.533.9000111.4Y25 D26Y25-P33 CarbonylContact O-C 3.51Å; Y25-P33 VanDerWaalsContact O-CA 3.27Å; Y25-P33 WeakPolarHBondContact O-CA 3.37Å; Y25-P33 WeakPolarHBondContact O-CB 3.17Å; D26-P33 HydrophobicContact CB-CB 4.27Å; D26-P33 HydrophobicContact CB-CG 4.21Å
34G90.9Very high92.1Very high28 Ų2869.3 Ų69.329%0.28941%0.407SS..EExtended strand (participates in β ladder)trans-65.4150.6171.800000110.7L24 Y25 T32L24-G34 WeakPolarHBondContact CA-O 3.43Å; Y25-G34 PolarHBondContact N-O 3.25Å; Y25-G34 PolarHBondContact O-N 2.87Å; T32-G34 PolarHBondContact O-N 2.77Å
35S95.6Very high92.2Very high55 Ų5563.1 Ų63.139%0.38538%0.375SS..EExtended strand (participates in β ladder)trans-140.9144.7178-177.40000110.6V23 L24V23-S35 VanDerWaalsContact O-CA 3.27Å; V23-S35 WeakPolarHBondContact O-CA 3.48Å; V23-S35 PolarHBondContact O-OG 2.89Å; L24-S35 WeakPolarHBondContact CD2-OG 3.37Å
36L97.3Very high92.5Very high19 Ų1964.9 Ų64.910%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-126.2136.2168-67.1173.9000109.8A22 V23 E40 V41 L44 L71 L72A22-L36 PolarHBondContact N-O 2.93Å; V23-L36 HydrophobicContact CB-CB 4.27Å; V23-L36 HydrophobicContact CG2-CB 4.41Å; V23-L36 PolarHBondContact N-O 3.37Å; V23-L36 VanDerWaalsContact N-O 3.12Å; V23-L36 PolarHBondContact O-N 3.08Å; L36-E40 WeakPolarHBondContact CA-OE2 3.47Å; L36-E40 HydrophobicContact CD2-CB 4.26Å; L36-V41 HydrophobicContact CB-CG2 3.75Å; L36-V41 HydrophobicContact CD1-CG2 4.15Å; L36-L44 HydrophobicContact CD1-CD1 4.1Å; L36-L44 HydrophobicContact CD2-CD1 4.23Å; L36-L71 HydrophobicContact CD1-CD1 4.32Å; L36-L71 HydrophobicContact CD1-CD2 4.47Å; L36-L71 HydrophobicContact CD1-CG 3.91Å; L36-L71 HydrophobicContact CD2-CD2 4.41Å; L36-L71 HydrophobicContact CG-CD1 4.01Å; L36-L71 HydrophobicContact CG-CD2 4.04Å; L36-L71 HydrophobicContact CG-CG 3.86Å; L36-L72 HydrophobicContact CD1-CD2 4.21Å
37L98.3Very high92.7Very high34 Ų3463.7 Ų63.718%0.17838%0.379CS..EExtended strand (participates in β ladder)trans-76.8157.1170.7-56.6178.1000110.8D19 R20 R39 E40 V41D19-L37 WeakPolarHBondContact O-CD2 3.48Å; R20-L37 CarbonylContact O-C 3.42Å; R20-L37 VanDerWaalsContact O-CA 3.29Å; R20-L37 WeakPolarHBondContact O-CA 3.38Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 HydrophobicContact CB-CG 4.11Å; L37-R39 VanDerWaalsContact CD1-NH2 3.32Å; L37-R39 PolarHBondContact O-N 3.44Å; L37-E40 HydrophobicContact CB-CB 4.49Å; L37-E40 HydrophobicContact CB-CG 4.12Å; L37-E40 WeakPolarHBondContact CB-OE2 3.49Å; L37-E40 WeakPolarHBondContact CG-OE2 3.47Å; L37-E40 PolarHBondContact N-OE2 3.02Å; L37-E40 WeakPolarHBondContact O-CB 3.43Å; L37-E40 PolarHBondContact O-N 3.14Å; L37-V41 WeakPolarHBondContact O-CG2 3.27Å; L37-V41 PolarHBondContact O-N 2.98Å
38Y98.2Very high93.3Very high67 Ų6760.8 Ų60.826%0.26336%0.358SS..Hα-helixtrans-53.8-42.7175.9-89.7-82.7000112.8A13 A14 H17 R20 A22 E40 V41 V42A13-Y38 HydrophobicContact CB-CE1 4.01Å; A14-Y38 HydrophobicContact CB-CD1 3.99Å; A14-Y38 HydrophobicContact CB-CG 4.33Å; H17-Y38 HydrophobicContact CB-CD2 4.47Å; H17-Y38 WeakPolarHBondContact O-CB 3.35Å; H17-Y38 WeakPolarHBondContact O-CD2 3.28Å; R20-Y38 HydrophobicContact CB-CD2 4.07Å; R20-Y38 HydrophobicContact CB-CE2 4.38Å; R20-Y38 WeakPolarHBondContact O-CD2 3.31Å; R20-Y38 PolarHBondContact O-N 3.46Å; A22-Y38 HydrophobicContact CB-CD1 3.94Å; A22-Y38 HydrophobicContact CB-CD2 3.67Å; A22-Y38 HydrophobicContact CB-CE1 4.14Å; A22-Y38 HydrophobicContact CB-CE2 3.85Å; A22-Y38 HydrophobicContact CB-CG 3.71Å; Y38-E40 VanDerWaalsContact C-N 3.27Å; Y38-E40 PolarHBondContact O-N 3.26Å; Y38-V41 PolarHBondContact O-N 2.93Å; Y38-V42 WeakPolarHBondContact O-CG2 3.41Å; Y38-V42 PolarHBondContact O-N 3.4Å; Y38-V42 VanDerWaalsContact O-N 3.09Å
39R98.3Very high93.9Very high125 Ų12558.1 Ų58.147%0.47233%0.329SS..Hα-helixtrans-61.5-35.7177.170.3-169.9-178.1-165.80.8112.6P18 D19 L37 Q43P18-R39 HydrophobicContact CB-CB 4.01Å; P18-R39 WeakPolarHBondContact O-CB 3.49Å; P18-R39 WeakPolarHBondContact O-CG 3.12Å; P18-R39 PolarHBondContact O-N 3.07Å; D19-R39 IonicContact OD1-CZ 3.57Å; D19-R39 IonicContact OD1-NE 2.67Å; D19-R39 IonicContact OD1-NH1 2.61Å; D19-R39 PolarHBondContact OD1-NH1 3.06Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 HydrophobicContact CB-CG 4.11Å; L37-R39 VanDerWaalsContact CD1-NH2 3.32Å; L37-R39 PolarHBondContact O-N 3.44Å; R39-Q43 WeakPolarHBondContact O-CB 3.29Å; R39-Q43 PolarHBondContact O-N 3.44Å
40E98.4Very high94.6Very high73 Ų7357 Ų5734%0.34132%0.324SS..Hα-helixtrans-74.6-42.3-178.7-65.2168.3160.200110.6L36 L37 Y38 V42 Q43 L44L36-E40 WeakPolarHBondContact CA-OE2 3.47Å; L36-E40 HydrophobicContact CD2-CB 4.26Å; L37-E40 HydrophobicContact CB-CB 4.49Å; L37-E40 HydrophobicContact CB-CG 4.12Å; L37-E40 WeakPolarHBondContact CB-OE2 3.49Å; L37-E40 WeakPolarHBondContact CG-OE2 3.47Å; L37-E40 PolarHBondContact N-OE2 3.02Å; L37-E40 WeakPolarHBondContact O-CB 3.43Å; L37-E40 PolarHBondContact O-N 3.14Å; Y38-E40 VanDerWaalsContact C-N 3.27Å; Y38-E40 PolarHBondContact O-N 3.26Å; E40-V42 PolarHBondContact O-N 2.93Å; E40-Q43 PolarHBondContact O-N 2.97Å; E40-L44 WeakPolarHBondContact O-CB 3.36Å; E40-L44 VanDerWaalsContact O-CG 3.24Å; E40-L44 WeakPolarHBondContact O-CG 3.2Å; E40-L44 PolarHBondContact O-N 3.03Å
41V98.4Very high95.3Very high5 Ų554 Ų543%0.0329%0.291CS..Hα-helixtrans-59.7-46.2175.3175.70000111.2A22 V23 L36 L37 Y38 A45 P74 L78A22-V41 HydrophobicContact CB-CG2 3.96Å; V23-V41 HydrophobicContact CG2-CG2 3.76Å; L36-V41 HydrophobicContact CB-CG2 3.75Å; L36-V41 HydrophobicContact CD1-CG2 4.15Å; L37-V41 WeakPolarHBondContact O-CG2 3.27Å; L37-V41 PolarHBondContact O-N 2.98Å; Y38-V41 PolarHBondContact O-N 2.93Å; V41-A45 VanDerWaalsContact O-CB 3.31Å; V41-A45 WeakPolarHBondContact O-CB 3.31Å; V41-A45 PolarHBondContact O-N 2.86Å; V41-P74 HydrophobicContact CG1-CB 4.49Å; V41-L78 HydrophobicContact CG1-CD1 3.67Å
42V98.3Very high95.7Very high18 Ų1847.5 Ų47.511%0.10926%0.261CS..Hα-helixtrans-66.1-43.8179.5171.10000111.2V10 A14 Y38 E40 A45 E46V10-V42 HydrophobicContact CG1-CG2 4.35Å; A14-V42 HydrophobicContact CB-CB 4.5Å; A14-V42 HydrophobicContact CB-CG2 3.51Å; Y38-V42 WeakPolarHBondContact O-CG2 3.41Å; Y38-V42 PolarHBondContact O-N 3.4Å; Y38-V42 VanDerWaalsContact O-N 3.09Å; E40-V42 PolarHBondContact O-N 2.93Å; V42-A45 PolarHBondContact O-N 3.23Å; V42-E46 HydrophobicContact CG1-CG 4.33Å; V42-E46 WeakPolarHBondContact CG1-OE1 3.34Å; V42-E46 WeakPolarHBondContact O-CB 3.35Å; V42-E46 WeakPolarHBondContact O-CG 3.42Å; V42-E46 PolarHBondContact O-N 3.05Å
43Q98.4Very high96.2Very high95 Ų9545.9 Ų45.944%0.44425%0.247SC..Hα-helixtrans-61.3-47.2177.3-173.162.960.700111.8R39 E40 A45 E46 D47R39-Q43 WeakPolarHBondContact O-CB 3.29Å; R39-Q43 PolarHBondContact O-N 3.44Å; E40-Q43 PolarHBondContact O-N 2.97Å; Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 2.77Å; Q43-E46 PolarHBondContact O-N 2.84Å; Q43-D47 PolarHBondContact NE2-OD1 3.34Å; Q43-D47 WeakPolarHBondContact O-CB 3.41Å; Q43-D47 PolarHBondContact O-N 3.39Å
44L98.4Very high96.2Very high38 Ų3850 Ų5020%0.19926%0.26CS..Hα-helixtrans-60.9-39.1177.4-73.1167000111.9L36 E40 L48 L72 A75 F140L36-L44 HydrophobicContact CD1-CD1 4.1Å; L36-L44 HydrophobicContact CD2-CD1 4.23Å; E40-L44 WeakPolarHBondContact O-CB 3.36Å; E40-L44 VanDerWaalsContact O-CG 3.24Å; E40-L44 WeakPolarHBondContact O-CG 3.2Å; E40-L44 PolarHBondContact O-N 3.03Å; L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 PolarHBondContact O-N 2.91Å; L44-L72 HydrophobicContact CD1-CD2 3.9Å; L44-A75 HydrophobicContact CB-CB 3.74Å; L44-A75 HydrophobicContact CD1-CB 4.42Å; L44-F140 HydrophobicContact CD2-CD1 4.36Å; L44-F140 HydrophobicContact CD2-CE1 4.16Å; L44-F140 WeakPolarHBondContact O-CE1 3.36Å
45A98.3Very high95.7Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-65.6-44.3176.100000111.9V41 V42 Q43 L48 S49 L78 G79 Q82V41-A45 VanDerWaalsContact O-CB 3.31Å; V41-A45 WeakPolarHBondContact O-CB 3.31Å; V41-A45 PolarHBondContact O-N 2.86Å; V42-A45 PolarHBondContact O-N 3.23Å; Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 2.77Å; A45-L48 PolarHBondContact O-N 2.77Å; A45-S49 WeakPolarHBondContact O-CB 3.28Å; A45-S49 PolarHBondContact O-N 2.99Å; A45-L78 HydrophobicContact CB-CB 3.51Å; A45-G79 WeakPolarHBondContact O-CA 3.22Å; A45-Q82 VanDerWaalsContact C-OE1 3.22Å; A45-Q82 PolarHBondContact O-OE1 3.1Å
46E97.8Very high94.9Very high90 Ų9049 Ų4942%0.42125%0.246SC..Hα-helixtrans-62.8-45178.2-75.2175.7-176.700111.3V42 Q43 L48 S49 A50 Q82V42-E46 HydrophobicContact CG1-CG 4.33Å; V42-E46 WeakPolarHBondContact CG1-OE1 3.34Å; V42-E46 WeakPolarHBondContact O-CB 3.35Å; V42-E46 WeakPolarHBondContact O-CG 3.42Å; V42-E46 PolarHBondContact O-N 3.05Å; Q43-E46 PolarHBondContact O-N 2.84Å; E46-L48 PolarHBondContact O-N 2.83Å; E46-S49 PolarHBondContact O-N 3.12Å; E46-A50 WeakPolarHBondContact O-CB 3.39Å; E46-A50 PolarHBondContact O-N 2.87Å; E46-Q82 VanDerWaalsContact CA-OE1 3.24Å
47D97.9Very high93.5Very high69 Ų6953 Ų5337%0.36928%0.275SS..Hα-helixtrans-64.5-41177.8-65.1-19.6000111.3Q43 A50 A51 F140Q43-D47 PolarHBondContact NE2-OD1 3.34Å; Q43-D47 WeakPolarHBondContact O-CB 3.41Å; Q43-D47 PolarHBondContact O-N 3.39Å; D47-A50 PolarHBondContact O-N 3.11Å; D47-A51 PolarHBondContact O-N 2.99Å; D47-F140 HydrophobicContact CB-CE1 4.12Å; D47-F140 HydrophobicContact CB-CZ 3.66Å
48L97.3Very high91.6Very high2 Ų252.1 Ų52.11%0.0127%0.272CS..Hα-helixtrans-65.9-44.9176.317562.5000111L44 A45 E46 A50 A51 L52 W76 L137 F140 L142L44-L48 VanDerWaalsContact O-CB 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 PolarHBondContact O-N 2.91Å; A45-L48 PolarHBondContact O-N 2.77Å; E46-L48 PolarHBondContact O-N 2.83Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 3.41Å; L48-A51 WeakPolarHBondContact O-CB 3.3Å; L48-A51 PolarHBondContact O-N 3.3Å; L48-A51 VanDerWaalsContact O-N 3.15Å; L48-L52 HydrophobicContact CD1-CD1 4.27Å; L48-L52 HydrophobicContact CD1-CD2 4.48Å; L48-L52 HydrophobicContact CD1-CG 4.06Å; L48-L52 HydrophobicContact CG-CD1 4.05Å; L48-L52 HydrophobicContact CG-CG 4.28Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 3.33Å; L48-W76 HydrophobicContact CD2-CB 4.32Å; L48-L137 HydrophobicContact CD1-CD1 3.91Å; L48-F140 VanDerWaalsContact CA-CZ 3.44Å; L48-F140 HydrophobicContact CB-CD1 4.25Å; L48-F140 HydrophobicContact CB-CD2 4.17Å; L48-F140 HydrophobicContact CB-CE1 3.93Å; L48-F140 HydrophobicContact CB-CE2 3.88Å; L48-F140 HydrophobicContact CB-CG 4.38Å; L48-F140 HydrophobicContact CB-CZ 3.76Å; L48-F140 HydrophobicContact CD1-CD2 3.57Å; L48-F140 HydrophobicContact CD1-CE2 3.87Å; L48-F140 HydrophobicContact CD1-CG 4.1Å; L48-F140 HydrophobicContact CG-CD2 4.42Å; L48-F140 HydrophobicContact CG-CE2 4.49Å; L48-L142 HydrophobicContact CD1-CD1 4.16Å; L48-L142 HydrophobicContact CD2-CD1 4.18Å
49S95.7Very high89.6Confident10 Ų1059.9 Ų59.97%0.0730%0.3CS..Hα-helixtrans-57-45.5175.8176.30000111.1A45 E46 A51 L52 L53 G79 Q82 S83A45-S49 WeakPolarHBondContact O-CB 3.28Å; A45-S49 PolarHBondContact O-N 2.99Å; E46-S49 PolarHBondContact O-N 3.12Å; S49-A51 VanDerWaalsContact C-N 3.32Å; S49-A51 PolarHBondContact O-N 2.89Å; S49-L52 PolarHBondContact O-N 2.87Å; S49-L53 WeakPolarHBondContact O-CB 3.21Å; S49-L53 VanDerWaalsContact O-CG 3.3Å; S49-L53 WeakPolarHBondContact O-CG 3.31Å; S49-L53 PolarHBondContact O-N 3.11Å; S49-G79 WeakPolarHBondContact CB-O 3.49Å; S49-Q82 VanDerWaalsContact OG-C 3.25Å; S49-S83 PolarHBondContact OG-N 2.98Å
50A95.2Very high87.6Confident45 Ų4557.7 Ų57.737%0.37230%0.298SS..Hα-helixtrans-61.7-38.9176.900000112.3E46 D47 L48 Q54E46-A50 WeakPolarHBondContact O-CB 3.39Å; E46-A50 PolarHBondContact O-N 2.87Å; D47-A50 PolarHBondContact O-N 3.11Å; L48-A50 VanDerWaalsContact C-N 3.3Å; L48-A50 PolarHBondContact O-N 3.41Å; A50-Q54 WeakPolarHBondContact O-CG 3.5Å; A50-Q54 PolarHBondContact O-N 3.29Å; A50-Q54 PolarHBondContact O-NE2 3.02Å
51A94.3Very high86.9Confident14 Ų1456 Ų5612%0.11630%0.301CS..Hα-helixtrans-66.5-45.6174.200000111.8D47 L48 S49 L53 Q54 T55 L137 F140D47-A51 PolarHBondContact O-N 2.99Å; L48-A51 WeakPolarHBondContact O-CB 3.3Å; L48-A51 PolarHBondContact O-N 3.3Å; L48-A51 VanDerWaalsContact O-N 3.15Å; S49-A51 VanDerWaalsContact C-N 3.32Å; S49-A51 PolarHBondContact O-N 2.89Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.11Å; A51-Q54 PolarHBondContact O-N 3.15Å; A51-T55 PolarHBondContact O-N 2.89Å; A51-T55 PolarHBondContact O-OG1 2.89Å; A51-L137 HydrophobicContact CB-CD2 4Å; A51-F140 HydrophobicContact CB-CE2 4.38Å
52L92.9Very high86.5Confident2 Ų256.5 Ų56.51%0.0131%0.305CS..Hα-helixtrans-61.3-40.3177.5-69.6175.8000111.8L48 S49 Q54 T55 C56 I80 L144L48-L52 HydrophobicContact CD1-CD1 4.27Å; L48-L52 HydrophobicContact CD1-CD2 4.48Å; L48-L52 HydrophobicContact CD1-CG 4.06Å; L48-L52 HydrophobicContact CG-CD1 4.05Å; L48-L52 HydrophobicContact CG-CG 4.28Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 3.33Å; S49-L52 PolarHBondContact O-N 2.87Å; L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 2.92Å; L52-T55 PolarHBondContact O-N 3.42Å; L52-C56 WeakPolarHBondContact O-CA 3.43Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; L52-C56 PolarHBondContact O-N 3.14Å; L52-I80 HydrophobicContact CD1-CG1 3.94Å; L52-L144 HydrophobicContact CD2-CD1 4.03Å; L52-L144 HydrophobicContact CD2-CD2 4.34Å
53L91.3Very high86.4Confident97 Ų9755.8 Ų55.851%0.50830%0.3SS..Hα-helixtrans-68.5-23178.4-72.2170000113.7S49 A51 P58S49-L53 WeakPolarHBondContact O-CB 3.21Å; S49-L53 VanDerWaalsContact O-CG 3.3Å; S49-L53 WeakPolarHBondContact O-CG 3.31Å; S49-L53 PolarHBondContact O-N 3.11Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.11Å; L53-P58 HydrophobicContact CD2-CG 3.93Å
54Q89.2Confident86.3Confident165 Ų16551.2 Ų51.277%0.77128%0.279SS*.Hα-helixtrans-80.8-34.8175.7-73.7170.261.600112.4A50 A51 L52A50-Q54 WeakPolarHBondContact O-CG 3.5Å; A50-Q54 PolarHBondContact O-N 3.29Å; A50-Q54 PolarHBondContact O-NE2 3.02Å; A51-Q54 PolarHBondContact O-N 3.15Å; L52-Q54 VanDerWaalsContact C-N 3.26Å; L52-Q54 PolarHBondContact O-N 2.92Å
55T81Confident86.3Confident55 Ų5549.7 Ų49.734%0.33727%0.271SS..Hα-helixtrans-99.1-37.7-174.2-470000113.1A51 L52 C134 V135 L144A51-T55 PolarHBondContact O-N 2.89Å; A51-T55 PolarHBondContact O-OG1 2.89Å; L52-T55 PolarHBondContact O-N 3.42Å; T55-C134 HydrophobicContact CG2-CB 4.05Å; T55-V135 HydrophobicContact CG2-CB 4.26Å; T55-V135 HydrophobicContact CG2-CG1 3.78Å; T55-L144 HydrophobicContact CG2-CD2 3.87Å
56C77.9Confident86.2Confident6 Ų649.7 Ų49.74%0.04127%0.271CS..  trans-93.2154.1176.5-56.60000109.4L52 P58 Y110 L144L52-C56 WeakPolarHBondContact O-CA 3.43Å; L52-C56 WeakPolarHBondContact O-CB 3.46Å; L52-C56 PolarHBondContact O-N 3.14Å; C56-P58 HydrophobicContact CB-CB 4.38Å; C56-P58 HydrophobicContact CB-CG 4.12Å; C56-P58 WeakPolarHBondContact O-CD 3.45Å; C56-Y110 HydrophobicContact CB-CD2 3.96Å; C56-Y110 HydrophobicContact CB-CE2 3.76Å; C56-Y110 HydrophobicContact CB-CG 4.45Å; C56-L144 WeakPolarHBondContact SG-CD2 3.34Å
57S68.1Low86.2Confident102 Ų10246.5 Ų46.571%0.71326%0.258SS*.  trans-101.174.4152.9-71.40000108.7R59S57-R59 PolarHBondContact O-N 3.35Å
58P58.3Low85.9Confident17 Ų1745.2 Ų45.211%0.1126%0.255CS..  trans-79.751.2178.237-32.4000108.8L53 C56 D60 A85L53-P58 HydrophobicContact CD2-CG 3.93Å; C56-P58 HydrophobicContact CB-CB 4.38Å; C56-P58 HydrophobicContact CB-CG 4.12Å; C56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-D60 VanDerWaalsContact C-N 3.28Å; P58-D60 PolarHBondContact O-N 3.25Å; P58-A85 HydrophobicContact CB-CB 4.2Å
59R56.3Low85.6Confident229 Ų22950.4 Ų50.486%0.86428%0.283SS*.SBendtrans-72.396.7164.6-79.6-176.4-178.4-1172.1106.1S57S57-R59 PolarHBondContact O-N 3.35Å
60D57Low85.4Confident80 Ų8050.8 Ų50.843%0.42828%0.284SS..SBendtrans71.927166.6-45.7-32.8000116.5P58P58-D60 VanDerWaalsContact C-N 3.28Å; P58-D60 PolarHBondContact O-N 3.25Å
61G82.2Confident85.5Confident38 Ų3850.1 Ų50.139%0.39227%0.274SS..  trans-103.1-163.2-176.600000115.5A85 A86G61-A85 WeakPolarHBondContact O-CA 3.31Å; G61-A86 PolarHBondContact O-N 3.44Å; G61-A86 VanDerWaalsContact O-N 3.12Å
62A91.7Very high85.6Confident14 Ų1450.6 Ų50.612%0.11628%0.275CS..EExtended strand (participates in β ladder)trans-127.8149.1171.900000110.1A86 V88 L108 I183A62-A86 CarbonylContact C-O 3.49Å; A62-A86 WeakPolarHBondContact CA-O 3.44Å; A62-A86 HydrophobicContact CB-CB 4.17Å; A62-V88 HydrophobicContact CB-CG2 3.82Å; A62-L108 HydrophobicContact CB-CD2 3.7Å; A62-L108 WeakPolarHBondContact O-CD2 3.3Å; A62-I183 HydrophobicContact CB-CD1 3.84Å
63V94.9Very high85.8Confident3 Ų352 Ų522%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-119.5125.8177176.90000108.3I80 A85 A86 Y87 V88 A112V63-I80 HydrophobicContact CB-CD1 4.35Å; V63-I80 HydrophobicContact CB-CG1 4.31Å; V63-I80 HydrophobicContact CB-CG2 3.89Å; V63-I80 HydrophobicContact CG1-CD1 4.02Å; V63-I80 HydrophobicContact CG1-CG1 4.15Å; V63-I80 HydrophobicContact CG2-CG2 4.38Å; V63-A85 HydrophobicContact CG2-CB 3.84Å; V63-A86 PolarHBondContact N-O 2.85Å; V63-Y87 WeakPolarHBondContact O-CA 3.32Å; V63-V88 PolarHBondContact O-N 3.16Å; V63-A112 HydrophobicContact CG1-CB 4.46Å
64G96.3Very high86.1Confident0 Ų049.4 Ų49.40%027%0.272CS..EExtended strand (participates in β ladder)trans-67.1141.2171.500000110.8V88 Y110 C111 A112G64-V88 CarbonylContact C-O 3.47Å; G64-V88 WeakPolarHBondContact CA-O 3.33Å; G64-Y110 PolarHBondContact N-O 2.92Å; G64-C111 CarbonylContact O-C 3.51Å; G64-C111 WeakPolarHBondContact O-CA 3.48Å; G64-A112 PolarHBondContact O-N 3.34Å
65L97.9Very high86.6Confident5 Ų541.7 Ų41.73%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-122103.9170.3-179.162.8000107.8C67 W76 I77 I80 V88 L90 A112 L142L65-C67 HydrophobicContact CD1-CB 4.49Å; L65-W76 HydrophobicContact CD1-CB 4.14Å; L65-W76 HydrophobicContact CD1-CE3 4.13Å; L65-W76 HydrophobicContact CD2-CB 4.24Å; L65-I77 HydrophobicContact CD2-CG1 3.77Å; L65-I80 HydrophobicContact CB-CD1 4.21Å; L65-I80 HydrophobicContact CD1-CD1 4.5Å; L65-V88 PolarHBondContact N-O 3.41Å; L65-L90 PolarHBondContact O-N 3.24Å; L65-A112 WeakPolarHBondContact CA-O 3.44Å; L65-A112 HydrophobicContact CD1-CB 4.15Å; L65-L142 HydrophobicContact CD1-CD2 4.4Å
66Y98Very high87.4Confident1 Ų139.1 Ų39.10%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-101.597.5177.6-171.2-84.1000109L90 P92 T99 A112 V113 N114 L117 F121Y66-L90 HydrophobicContact CD2-CB 3.74Å; Y66-L90 HydrophobicContact CG-CB 4.41Å; Y66-P92 HydrophobicContact CD1-CB 4.44Å; Y66-P92 HydrophobicContact CD1-CG 4.08Å; Y66-P92 HydrophobicContact CE1-CB 3.7Å; Y66-P92 HydrophobicContact CE1-CG 3.84Å; Y66-P92 HydrophobicContact CE2-CB 4.37Å; Y66-P92 WeakPolarHBondContact OH-CA 3.32Å; Y66-P92 PolarHBondContact OH-O 3.37Å; Y66-T99 HydrophobicContact CD2-CG2 4.36Å; Y66-T99 HydrophobicContact CE2-CG2 4.25Å; Y66-A112 PolarHBondContact N-O 3.49Å; Y66-V113 HydrophobicContact CD1-CG1 3.9Å; Y66-V113 HydrophobicContact CG-CG1 4.5Å; Y66-V113 WeakPolarHBondContact O-CA 3.45Å; Y66-N114 PolarHBondContact O-N 3.35Å; Y66-L117 HydrophobicContact CD1-CB 4.14Å; Y66-L117 HydrophobicContact CD1-CD1 4.16Å; Y66-L117 HydrophobicContact CE1-CB 3.96Å; Y66-L117 HydrophobicContact CE1-CD1 4.16Å; Y66-F121 HydrophobicContact CD1-CB 4.15Å; Y66-F121 AromaticContact CD1-CD2 3.86Å; Y66-F121 HydrophobicContact CD1-CD2 3.86Å; Y66-F121 HydrophobicContact CD1-CG 4.45Å; Y66-F121 AromaticContact CD2-CD2 3.6Å; Y66-F121 HydrophobicContact CD2-CD2 3.6Å; Y66-F121 HydrophobicContact CD2-CE2 4.02Å; Y66-F121 HydrophobicContact CE1-CB 3.89Å; Y66-F121 HydrophobicContact CE1-CD2 4.07Å; Y66-F121 AromaticContact CE2-CD2 3.84Å; Y66-F121 HydrophobicContact CE2-CD2 3.84Å; Y66-F121 AromaticContact CG-CD2 3.58Å; Y66-F121 HydrophobicContact CG-CD2 3.58Å; Y66-F121 HydrophobicContact CG-CE2 4.14Å
67C96.6Very high88.4Confident22 Ų2240.6 Ų40.615%0.14923%0.227CC..  trans-148.9155.7-176.168.50000111.7L65 W76 P92 N114L65-C67 HydrophobicContact CD1-CB 4.49Å; C67-W76 HydrophobicContact CB-CE3 4.11Å; C67-W76 HydrophobicContact CB-CZ3 3.6Å; C67-P92 WeakPolarHBondContact O-CD 3.37Å; C67-P92 WeakPolarHBondContact O-CG 3.38Å; C67-N114 HydrophobicContact CB-CB 3.93Å
68S91.5Very high89.8Confident43 Ų4336.3 Ų36.330%0.30120%0.197SC..  trans-82.7-178.1159.8-58.30000109.9
69D90.8Very high91.6Very high111 Ų11135.5 Ų35.559%0.59419%0.191SC*.SBendtrans-56.6135.1165.760.7-50.5000110.9Y25Y25-D69 HydrophobicContact CE2-CB 4Å; Y25-D69 WeakPolarHBondContact CE2-OD2 3.07Å; Y25-D69 PolarHBondContact OH-O 3.45Å; Y25-D69 PolarHBondContact OH-OD2 2.91Å
70D92.9Very high93.5Very high17 Ų1724.7 Ų24.79%0.09115%0.151CC..  trans-159.2153.1178.8-166-81.6000109.6L72 V73 W76 R141D70-L72 PolarHBondContact O-N 3.39Å; D70-L72 WeakPolarHBondContact OD1-CB 3.14Å; D70-L72 PolarHBondContact OD1-N 3.35Å; D70-V73 HydrophobicContact CB-CG2 3.97Å; D70-V73 WeakPolarHBondContact O-CG2 3.47Å; D70-V73 PolarHBondContact O-N 3.37Å; D70-W76 HydrophobicContact CB-CH2 3.73Å; D70-W76 HydrophobicContact CB-CZ3 3.97Å; D70-R141 IonicContact OD1-NH1 3.78Å; D70-R141 IonicContact OD2-CZ 2.69Å; D70-R141 IonicContact OD2-NH1 3.44Å; D70-R141 PolarHBondContact OD2-NH1 2.85Å; D70-R141 IonicContact OD2-NH2 3.92Å
71L95.4Very high95.3Very high32 Ų3221 Ų2117%0.16813%0.131CC..THydrogen-bonded Turntrans-54-32.7172.9-178.465.6000112.5V23 Y25 L36V23-L71 HydrophobicContact CB-CD1 4.13Å; V23-L71 HydrophobicContact CG1-CD1 3.86Å; Y25-L71 HydrophobicContact CD1-CB 4.01Å; Y25-L71 HydrophobicContact CG-CB 4.13Å; L36-L71 HydrophobicContact CD1-CD1 4.32Å; L36-L71 HydrophobicContact CD1-CD2 4.47Å; L36-L71 HydrophobicContact CD1-CG 3.91Å; L36-L71 HydrophobicContact CD2-CD2 4.41Å; L36-L71 HydrophobicContact CG-CD1 4.01Å; L36-L71 HydrophobicContact CG-CD2 4.04Å; L36-L71 HydrophobicContact CG-CG 3.86Å
72L97.4Very high95.8Very high24 Ų2421.1 Ų21.113%0.12612%0.121CC..THydrogen-bonded Turntrans-86.5-9.7-174.8-63.1175000114.4L36 L44 D70 P74 A75 W76 R141L36-L72 HydrophobicContact CD1-CD2 4.21Å; L44-L72 HydrophobicContact CD1-CD2 3.9Å; D70-L72 PolarHBondContact O-N 3.39Å; D70-L72 WeakPolarHBondContact OD1-CB 3.14Å; D70-L72 PolarHBondContact OD1-N 3.35Å; L72-P74 VanDerWaalsContact C-CD 3.49Å; L72-P74 VanDerWaalsContact C-N 3.34Å; L72-A75 WeakPolarHBondContact O-CA 3.3Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.18Å; L72-W76 HydrophobicContact CB-CD2 4.13Å; L72-W76 VanDerWaalsContact CB-CE2 3.45Å; L72-W76 HydrophobicContact CB-CH2 4.26Å; L72-W76 HydrophobicContact CB-CZ2 3.56Å; L72-W76 HydrophobicContact CD1-CZ2 4Å; L72-W76 HydrophobicContact CG-CZ2 4.4Å; L72-W76 PolarHBondContact O-N 3.37Å; L72-R141 HydrophobicContact CD1-CG 4.48Å
73V97.5Very high95.8Very high30 Ų3020.5 Ų20.518%0.18212%0.116CC..Hα-helixtrans-51.1-44.9-177.4172.40000113.1D70 A75 W76 I77D70-V73 HydrophobicContact CB-CG2 3.97Å; D70-V73 WeakPolarHBondContact O-CG2 3.47Å; D70-V73 PolarHBondContact O-N 3.37Å; V73-A75 VanDerWaalsContact C-N 3.32Å; V73-A75 PolarHBondContact O-N 3.01Å; V73-W76 HydrophobicContact CB-CE3 4.25Å; V73-W76 HydrophobicContact CG2-CE3 3.75Å; V73-W76 HydrophobicContact CG2-CZ3 3.63Å; V73-W76 PolarHBondContact O-N 3.22Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 HydrophobicContact CG1-CG1 4.35Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.15Å
74P97.9Very high95.5Very high44 Ų4424 Ų2429%0.28614%0.141SC..Hα-helixtrans-60.8-40177.5-26.638.9000113.1V23 V41 L72 L78V23-P74 HydrophobicContact CG1-CG 4.12Å; V23-P74 HydrophobicContact CG2-CB 4.04Å; V23-P74 HydrophobicContact CG2-CG 3.73Å; V41-P74 HydrophobicContact CG1-CB 4.49Å; L72-P74 VanDerWaalsContact C-CD 3.49Å; L72-P74 VanDerWaalsContact C-N 3.34Å; P74-L78 WeakPolarHBondContact O-CB 3.37Å; P74-L78 WeakPolarHBondContact O-CD1 3.37Å; P74-L78 WeakPolarHBondContact O-CG 3.39Å; P74-L78 PolarHBondContact O-N 3.21Å; P74-L78 VanDerWaalsContact O-N 3.08Å
75A98.3Very high95.3Very high2 Ų224 Ų242%0.01714%0.141CC..Hα-helixtrans-67.9-38.6176.600000111.6L44 L72 V73 L78 G79L44-A75 HydrophobicContact CB-CB 3.74Å; L44-A75 HydrophobicContact CD1-CB 4.42Å; L72-A75 WeakPolarHBondContact O-CA 3.3Å; L72-A75 WeakPolarHBondContact O-CB 3.43Å; L72-A75 PolarHBondContact O-N 3.18Å; V73-A75 VanDerWaalsContact C-N 3.32Å; V73-A75 PolarHBondContact O-N 3.01Å; A75-L78 PolarHBondContact O-N 3.33Å; A75-G79 PolarHBondContact O-N 3.41Å
76W98.4Very high95.1Very high1 Ų123.9 Ų23.90%0.00414%0.141CC..Hα-helixtrans-61.3-48.4176.2-60.9-22.7000112.7L48 L65 C67 D70 L72 V73 L78 G79 I80 N114 F140 R141 L142L48-W76 HydrophobicContact CD2-CB 4.32Å; L65-W76 HydrophobicContact CD1-CB 4.14Å; L65-W76 HydrophobicContact CD1-CE3 4.13Å; L65-W76 HydrophobicContact CD2-CB 4.24Å; C67-W76 HydrophobicContact CB-CE3 4.11Å; C67-W76 HydrophobicContact CB-CZ3 3.6Å; D70-W76 HydrophobicContact CB-CH2 3.73Å; D70-W76 HydrophobicContact CB-CZ3 3.97Å; L72-W76 HydrophobicContact CB-CD2 4.13Å; L72-W76 VanDerWaalsContact CB-CE2 3.45Å; L72-W76 HydrophobicContact CB-CH2 4.26Å; L72-W76 HydrophobicContact CB-CZ2 3.56Å; L72-W76 HydrophobicContact CD1-CZ2 4Å; L72-W76 HydrophobicContact CG-CZ2 4.4Å; L72-W76 PolarHBondContact O-N 3.37Å; V73-W76 HydrophobicContact CB-CE3 4.25Å; V73-W76 HydrophobicContact CG2-CE3 3.75Å; V73-W76 HydrophobicContact CG2-CZ3 3.63Å; V73-W76 PolarHBondContact O-N 3.22Å; W76-L78 PolarHBondContact O-N 2.88Å; W76-G79 PolarHBondContact O-N 3.25Å; W76-I80 WeakPolarHBondContact O-CG1 3.33Å; W76-I80 PolarHBondContact O-N 3.43Å; W76-I80 VanDerWaalsContact O-N 3.09Å; W76-N114 HydrophobicContact CH2-CB 4.36Å; W76-F140 VanDerWaalsContact CE2-O 3.26Å; W76-F140 WeakPolarHBondContact CZ2-O 3.44Å; W76-F140 PolarHBondContact NE1-O 3.06Å; W76-R141 HydrophobicContact CZ2-CB 4.5Å; W76-L142 HydrophobicContact CB-CD1 4.42Å; W76-L142 VanDerWaalsContact CD1-CD1 3.46Å; W76-L142 HydrophobicContact CD2-CD1 4.18Å; W76-L142 HydrophobicContact CD2-CD2 3.98Å; W76-L142 HydrophobicContact CD2-CG 4.25Å; W76-L142 HydrophobicContact CE3-CD2 4.31Å; W76-L142 HydrophobicContact CG-CD1 3.79Å; W76-L142 HydrophobicContact CG-CD2 4.43Å; W76-L142 HydrophobicContact CG-CG 4.37Å; W76-L142 HydrophobicContact CH2-CD2 4.47Å; W76-L142 HydrophobicContact CZ2-CD2 4.09Å; W76-L142 HydrophobicContact CZ2-CG 4.28Å
77I98.1Very high95Very high37 Ų3725.8 Ų25.819%0.1915%0.148CC..Hα-helixtrans-60.3-47.9177.6-68.3169.3000110.2L65 V73 G79 I80 L81 Y87L65-I77 HydrophobicContact CD2-CG1 3.77Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 HydrophobicContact CG1-CG1 4.35Å; V73-I77 WeakPolarHBondContact O-CG1 3.34Å; V73-I77 PolarHBondContact O-N 3.15Å; I77-G79 PolarHBondContact O-N 2.84Å; I77-I80 PolarHBondContact O-N 3.39Å; I77-L81 HydrophobicContact CG2-CD1 3.97Å; I77-L81 HydrophobicContact CG2-CG 4.44Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.25Å; I77-L81 PolarHBondContact O-N 3.01Å; I77-Y87 HydrophobicContact CD1-CE2 4.35Å; I77-Y87 HydrophobicContact CG1-CD2 4.32Å; I77-Y87 HydrophobicContact CG1-CE2 4.41Å; I77-Y87 HydrophobicContact CG1-CG 4.47Å; I77-Y87 HydrophobicContact CG2-CD1 3.62Å; I77-Y87 HydrophobicContact CG2-CE1 3.67Å; I77-Y87 HydrophobicContact CG2-CG 4.16Å
78L97.9Very high95Very high13 Ų1324.8 Ų24.87%0.06814%0.141CC..Hα-helixtrans-65.1-39.5-178.8-71.3167.7000112.4Q7 V10 V41 A45 P74 A75 W76 I80 L81 Q82Q7-L78 HydrophobicContact CB-CD2 4.01Å; V10-L78 HydrophobicContact CB-CD1 4.27Å; V10-L78 HydrophobicContact CB-CD2 4.12Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L78 HydrophobicContact CG2-CD1 4.34Å; V10-L78 HydrophobicContact CG2-CD2 3.94Å; V41-L78 HydrophobicContact CG1-CD1 3.67Å; A45-L78 HydrophobicContact CB-CB 3.51Å; P74-L78 WeakPolarHBondContact O-CB 3.37Å; P74-L78 WeakPolarHBondContact O-CD1 3.37Å; P74-L78 WeakPolarHBondContact O-CG 3.39Å; P74-L78 PolarHBondContact O-N 3.21Å; P74-L78 VanDerWaalsContact O-N 3.08Å; A75-L78 PolarHBondContact O-N 3.33Å; W76-L78 PolarHBondContact O-N 2.88Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 2.86Å; L78-L81 PolarHBondContact O-N 3.43Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 VanDerWaalsContact O-CG 3.26Å; L78-Q82 WeakPolarHBondContact O-CG 3.31Å; L78-Q82 PolarHBondContact O-N 3.13Å
79G96.6Very high95.2Very high0 Ų025.5 Ų25.50%015%0.145CC..Hα-helixtrans-63.8-39176.300000112.6A45 S49 A75 W76 I77 S83A45-G79 WeakPolarHBondContact O-CA 3.22Å; S49-G79 WeakPolarHBondContact CB-O 3.49Å; A75-G79 PolarHBondContact O-N 3.41Å; W76-G79 PolarHBondContact O-N 3.25Å; I77-G79 PolarHBondContact O-N 2.84Å; G79-S83 PolarHBondContact O-N 3.22Å; G79-S83 VanDerWaalsContact O-N 3.1Å
80I95.8Very high95.4Very high2 Ų220.6 Ų20.61%0.0112%0.119CC..Hα-helixtrans-61.5-48.6172.2-68.7166.8000110.5L52 V63 L65 W76 I77 L78 Q82 S83 A85L52-I80 HydrophobicContact CD1-CG1 3.94Å; V63-I80 HydrophobicContact CB-CD1 4.35Å; V63-I80 HydrophobicContact CB-CG1 4.31Å; V63-I80 HydrophobicContact CB-CG2 3.89Å; V63-I80 HydrophobicContact CG1-CD1 4.02Å; V63-I80 HydrophobicContact CG1-CG1 4.15Å; V63-I80 HydrophobicContact CG2-CG2 4.38Å; L65-I80 HydrophobicContact CB-CD1 4.21Å; L65-I80 HydrophobicContact CD1-CD1 4.5Å; W76-I80 WeakPolarHBondContact O-CG1 3.33Å; W76-I80 PolarHBondContact O-N 3.43Å; W76-I80 VanDerWaalsContact O-N 3.09Å; I77-I80 PolarHBondContact O-N 3.39Å; L78-I80 VanDerWaalsContact C-N 3.34Å; L78-I80 PolarHBondContact O-N 2.86Å; I80-Q82 PolarHBondContact O-N 3.1Å; I80-S83 WeakPolarHBondContact O-CB 3.34Å; I80-S83 PolarHBondContact O-N 3.33Å; I80-S83 VanDerWaalsContact O-N 3.12Å; I80-S83 PolarHBondContact O-OG 3.39Å; I80-A85 HydrophobicContact CG2-CB 4.03Å; I80-A85 PolarHBondContact O-N 3.1Å
81L94.8Very high95.4Very high3 Ų324.4 Ų24.42%0.01614%0.139CC..Hα-helixtrans-63.1-40-179.6-68.8175.1000113L6 Q7 I77 L78 S83 S84 Y87 A181L6-L81 HydrophobicContact CB-CD1 4.02Å; L6-L81 HydrophobicContact CD1-CD1 4.25Å; Q7-L81 HydrophobicContact CB-CB 4.45Å; Q7-L81 HydrophobicContact CG-CB 4.5Å; Q7-L81 PolarHBondContact NE2-O 2.9Å; I77-L81 HydrophobicContact CG2-CD1 3.97Å; I77-L81 HydrophobicContact CG2-CG 4.44Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.25Å; I77-L81 PolarHBondContact O-N 3.01Å; L78-L81 PolarHBondContact O-N 3.43Å; L81-S83 PolarHBondContact O-N 3.26Å; L81-S84 WeakPolarHBondContact O-CA 3.42Å; L81-S84 PolarHBondContact O-N 3.12Å; L81-Y87 HydrophobicContact CD2-CD1 4.36Å; L81-A181 WeakPolarHBondContact CD2-O 3.49Å
82Q93.6Very high95.4Very high40 Ų4023.1 Ų23.119%0.18713%0.133CC..Hα-helixtrans-67-26.5176-73.4174.36.100112.4Q7 A45 E46 S49 L78 I80 S84Q7-Q82 HydrophobicContact CB-CG 3.95Å; Q7-Q82 HydrophobicContact CG-CG 4.02Å; A45-Q82 VanDerWaalsContact C-OE1 3.22Å; A45-Q82 PolarHBondContact O-OE1 3.1Å; E46-Q82 VanDerWaalsContact CA-OE1 3.24Å; S49-Q82 VanDerWaalsContact OG-C 3.25Å; L78-Q82 WeakPolarHBondContact O-CB 3.41Å; L78-Q82 VanDerWaalsContact O-CG 3.26Å; L78-Q82 WeakPolarHBondContact O-CG 3.31Å; L78-Q82 PolarHBondContact O-N 3.13Å; I80-Q82 PolarHBondContact O-N 3.1Å; Q82-S84 PolarHBondContact O-N 3.11Å; Q82-S84 VanDerWaalsContact O-N 3.15Å
83S91.6Very high95.1Very high1 Ų128 Ų281%0.00716%0.155CC..THydrogen-bonded Turntrans-73.75.5170.681.30000113.5S49 G79 I80 L81 A85S49-S83 PolarHBondContact OG-N 2.98Å; G79-S83 PolarHBondContact O-N 3.22Å; G79-S83 VanDerWaalsContact O-N 3.1Å; I80-S83 WeakPolarHBondContact O-CB 3.34Å; I80-S83 PolarHBondContact O-N 3.33Å; I80-S83 VanDerWaalsContact O-N 3.12Å; I80-S83 PolarHBondContact O-OG 3.39Å; L81-S83 PolarHBondContact O-N 3.26Å; S83-A85 VanDerWaalsContact C-N 3.25Å; S83-A85 PolarHBondContact O-N 3.41Å
84S88.3Confident94.8Very high76 Ų7627.6 Ų27.653%0.53116%0.155SC..THydrogen-bonded Turntrans63.227.6-176.2-53.20000113.9L81 Q82L81-S84 WeakPolarHBondContact O-CA 3.42Å; L81-S84 PolarHBondContact O-N 3.12Å; Q82-S84 PolarHBondContact O-N 3.11Å; Q82-S84 VanDerWaalsContact O-N 3.15Å
85A91.9Very high94.5Very high1 Ų129.9 Ų29.91%0.00817%0.169CC..  trans-109.6145.4173.200000111.2P58 G61 V63 I80 S83P58-A85 HydrophobicContact CB-CB 4.2Å; G61-A85 WeakPolarHBondContact O-CA 3.31Å; V63-A85 HydrophobicContact CG2-CB 3.84Å; I80-A85 HydrophobicContact CG2-CB 4.03Å; I80-A85 PolarHBondContact O-N 3.1Å; S83-A85 VanDerWaalsContact C-N 3.25Å; S83-A85 PolarHBondContact O-N 3.41Å
86A94.1Very high94.1Very high2 Ų230.4 Ų30.42%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-72139.9165.900000109.9G61 A62 V63 L180 A181 I183G61-A86 PolarHBondContact O-N 3.44Å; G61-A86 VanDerWaalsContact O-N 3.12Å; A62-A86 CarbonylContact C-O 3.49Å; A62-A86 WeakPolarHBondContact CA-O 3.44Å; A62-A86 HydrophobicContact CB-CB 4.17Å; V63-A86 PolarHBondContact N-O 2.85Å; A86-L180 HydrophobicContact CB-CB 3.64Å; A86-A181 WeakPolarHBondContact CA-O 3.32Å; A86-I183 HydrophobicContact CB-CG1 4.26Å
87Y95.2Very high93.8Very high41 Ų4134 Ų3416%0.16119%0.194CC..EExtended strand (participates in β ladder)trans-86.2143.3170.485.9-89.4000110.7V63 I77 L81 P89 A181 Y182 I183V63-Y87 WeakPolarHBondContact O-CA 3.32Å; I77-Y87 HydrophobicContact CD1-CE2 4.35Å; I77-Y87 HydrophobicContact CG1-CD2 4.32Å; I77-Y87 HydrophobicContact CG1-CE2 4.41Å; I77-Y87 HydrophobicContact CG1-CG 4.47Å; I77-Y87 HydrophobicContact CG2-CD1 3.62Å; I77-Y87 HydrophobicContact CG2-CE1 3.67Å; I77-Y87 HydrophobicContact CG2-CG 4.16Å; L81-Y87 HydrophobicContact CD2-CD1 4.36Å; Y87-P89 HydrophobicContact CE2-CB 4.24Å; Y87-P89 HydrophobicContact CE2-CG 4.09Å; Y87-A181 WeakPolarHBondContact CD1-O 3.45Å; Y87-A181 PolarHBondContact N-O 3.2Å; Y87-A181 VanDerWaalsContact N-O 3.16Å; Y87-Y182 VanDerWaalsContact CE1-CB 3.41Å; Y87-Y182 HydrophobicContact CE1-CD1 4.05Å; Y87-Y182 HydrophobicContact CE1-CG 4.07Å; Y87-Y182 WeakPolarHBondContact O-CA 3.35Å; Y87-Y182 WeakPolarHBondContact O-CB 3.34Å; Y87-I183 PolarHBondContact O-N 3.21Å; Y87-I183 VanDerWaalsContact O-N 3.11Å
88V96.2Very high93.4Very high0 Ų035.3 Ų35.30%020%0.201CC..EExtended strand (participates in β ladder)trans-121.8107175.2-174.10000108A62 V63 G64 L65 L90 V102 C106 L108 I183A62-V88 HydrophobicContact CB-CG2 3.82Å; V63-V88 PolarHBondContact O-N 3.16Å; G64-V88 CarbonylContact C-O 3.47Å; G64-V88 WeakPolarHBondContact CA-O 3.33Å; L65-V88 PolarHBondContact N-O 3.41Å; V88-L90 HydrophobicContact CG1-CD2 4.4Å; V88-L90 PolarHBondContact O-N 3.02Å; V88-V102 HydrophobicContact CG1-CG1 3.95Å; V88-C106 HydrophobicContact CG2-CB 4.42Å; V88-L108 HydrophobicContact CB-CD1 4.28Å; V88-L108 HydrophobicContact CB-CD2 4.36Å; V88-L108 HydrophobicContact CG1-CD1 4.4Å; V88-L108 HydrophobicContact CG2-CD2 3.82Å; V88-I183 HydrophobicContact CG2-CB 3.84Å; V88-I183 HydrophobicContact CG2-CD1 4.06Å; V88-I183 HydrophobicContact CG2-CG1 4.08Å
89P96.8Very high93.1Very high59 Ų5934.8 Ų34.838%0.38320%0.198SC..EExtended strand (participates in β ladder)trans-69.3132.6178.229.1-31.2000109.8Y87 I183 L184Y87-P89 HydrophobicContact CE2-CB 4.24Å; Y87-P89 HydrophobicContact CE2-CG 4.09Å; P89-I183 WeakPolarHBondContact CD-O 3.26Å; P89-L184 HydrophobicContact CG-CD2 3.45Å; P89-L184 VanDerWaalsContact CG-CD2 3.45Å
90L95.3Very high92.9Very high8 Ų835.1 Ų35.14%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-122.2118.2176-60.3170.9000108L65 Y66 V88 P92 T99 V102 M103 L108L65-L90 PolarHBondContact O-N 3.24Å; Y66-L90 HydrophobicContact CD2-CB 3.74Å; Y66-L90 HydrophobicContact CG-CB 4.41Å; V88-L90 HydrophobicContact CG1-CD2 4.4Å; V88-L90 PolarHBondContact O-N 3.02Å; L90-P92 WeakPolarHBondContact O-CD 3.39Å; L90-T99 HydrophobicContact CD2-CG2 4.48Å; L90-V102 HydrophobicContact CD2-CB 4Å; L90-V102 HydrophobicContact CD2-CG1 3.43Å; L90-V102 VanDerWaalsContact CD2-CG1 3.43Å; L90-M103 HydrophobicContact CD1-CE 3.61Å; L90-M103 HydrophobicContact CD1-CG 4.29Å; L90-L108 HydrophobicContact CD1-CD1 4.3Å
91D92.7Very high92.6Very high96 Ų9640.6 Ų40.651%0.51322%0.221SC..  trans-78.8122.3-176.7-177.8-3.7000110.4E93 A94D91-E93 PolarHBondContact O-N 2.63Å; D91-E93 WeakPolarHBondContact OD1-CB 3.49Å; D91-E93 PolarHBondContact OD1-N 2.84Å; D91-A94 HydrophobicContact CB-CB 4.11Å; D91-A94 VanDerWaalsContact O-CB 3.31Å; D91-A94 WeakPolarHBondContact O-CB 3.2Å; D91-A94 PolarHBondContact O-N 3.09Å
92P94.9Very high92.4Very high6 Ų641 Ų414%0.03922%0.224CC..THydrogen-bonded Turntrans-61.7-22.4175.4-2234000115.1Y66 C67 L90 A94 L117 R120Y66-P92 HydrophobicContact CD1-CB 4.44Å; Y66-P92 HydrophobicContact CD1-CG 4.08Å; Y66-P92 HydrophobicContact CE1-CB 3.7Å; Y66-P92 HydrophobicContact CE1-CG 3.84Å; Y66-P92 HydrophobicContact CE2-CB 4.37Å; Y66-P92 WeakPolarHBondContact OH-CA 3.32Å; Y66-P92 PolarHBondContact OH-O 3.37Å; C67-P92 WeakPolarHBondContact O-CD 3.37Å; C67-P92 WeakPolarHBondContact O-CG 3.38Å; L90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-A94 VanDerWaalsContact C-N 3.34Å; P92-L117 HydrophobicContact CB-CD1 4Å; P92-L117 HydrophobicContact CG-CD1 3.49Å; P92-L117 VanDerWaalsContact CG-CD1 3.49Å; P92-R120 PolarHBondContact O-NE 3.49Å; P92-R120 VanDerWaalsContact O-NE 3.16Å; P92-R120 PolarHBondContact O-NH2 3.32Å
93E92.2Very high92.3Very high126 Ų12639.1 Ų39.159%0.58922%0.215SC*.THydrogen-bonded Turntrans-84.8-9.4176.6-56.5-52.5134.900112.8D91 R120D91-E93 PolarHBondContact O-N 2.63Å; D91-E93 WeakPolarHBondContact OD1-CB 3.49Å; D91-E93 PolarHBondContact OD1-N 2.84Å; E93-R120 IonicContact OE1-CZ 3.86Å; E93-R120 IonicContact OE1-NH1 3.02Å; E93-R120 PolarHBondContact OE1-NH1 3.48Å; E93-R120 IonicContact OE1-NH2 3.21Å; E93-R120 PolarHBondContact OE1-NH2 3.41Å; E93-R120 IonicContact OE2-CZ 2.78Å; E93-R120 IonicContact OE2-NH1 2.79Å; E93-R120 IonicContact OE2-NH2 3.71Å; E93-R120 PolarHBondContact OE2-NH2 2.87Å
94A89.9Confident92.3Very high22 Ų2240.3 Ų40.318%0.18222%0.224CC..SBendtrans-71.3144.2174.600000111.4D91 P92 G96 L98D91-A94 HydrophobicContact CB-CB 4.11Å; D91-A94 VanDerWaalsContact O-CB 3.31Å; D91-A94 WeakPolarHBondContact O-CB 3.2Å; D91-A94 PolarHBondContact O-N 3.09Å; P92-A94 VanDerWaalsContact C-N 3.34Å; A94-G96 PolarHBondContact O-N 2.88Å; A94-L98 HydrophobicContact CB-CD2 4.35Å
95P91.3Very high92.3Very high91 Ų9140.9 Ų40.959%0.59122%0.218SC*.  trans-56.1138.9172.5-25.134.1000111.8L97 L98 T99P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 PolarHBondContact O-N 3.13Å; P95-L97 VanDerWaalsContact O-N 3.16Å; P95-L98 WeakPolarHBondContact O-CA 3.47Å; P95-L98 VanDerWaalsContact O-CB 3.31Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 3.11Å; P95-T99 PolarHBondContact O-N 3.16Å; P95-T99 VanDerWaalsContact O-N 3.14Å
96G91.5Very high92.2Very high13 Ų1341.4 Ų41.413%0.13422%0.222CC..Hα-helixtrans-53-39.3-177.200000114.9A94 L98 T99 A100 A124A94-G96 PolarHBondContact O-N 2.88Å; G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 3.37Å; G96-T99 WeakPolarHBondContact O-CB 3.22Å; G96-T99 PolarHBondContact O-N 2.89Å; G96-A100 WeakPolarHBondContact O-CB 3.24Å; G96-A100 PolarHBondContact O-N 2.77Å; G96-A124 WeakPolarHBondContact CA-O 3.34Å
97L90.3Very high92Very high77 Ų7743.5 Ų43.540%0.40324%0.243SC..Hα-helixtrans-60.6-37.2174.5-179.361.6000112.6P95 R101 H128P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 PolarHBondContact O-N 3.13Å; P95-L97 VanDerWaalsContact O-N 3.16Å; L97-R101 VanDerWaalsContact O-CG 3.28Å; L97-R101 WeakPolarHBondContact O-CG 3.26Å; L97-R101 PolarHBondContact O-N 3.03Å; L97-R101 VanDerWaalsContact O-N 3.07Å; L97-H128 PolarHBondContact N-CD2 3.34Å; L97-H128 PolarHBondContact N-NE2 3.47Å
98L89.6Confident91.8Very high64 Ų6441.6 Ų41.634%0.33524%0.236SC..Hα-helixtrans-68.9-46.4177-178.359.8000110A94 P95 G96 A100 R101 V102 P193A94-L98 HydrophobicContact CB-CD2 4.35Å; P95-L98 WeakPolarHBondContact O-CA 3.47Å; P95-L98 VanDerWaalsContact O-CB 3.31Å; P95-L98 WeakPolarHBondContact O-CB 3.39Å; P95-L98 PolarHBondContact O-N 3.11Å; G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 3.37Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.8Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-R101 VanDerWaalsContact O-N 3.14Å; L98-V102 WeakPolarHBondContact O-CG2 3.42Å; L98-V102 PolarHBondContact O-N 3.03Å; L98-P193 HydrophobicContact CD1-CG 3.99Å
99T92.2Very high91.6Very high3 Ų348 Ų482%0.01826%0.263CS..Hα-helixtrans-55.6-47.5175.7-62.30000111.8Y66 L90 P95 G96 R101 V102 M103 V125Y66-T99 HydrophobicContact CD2-CG2 4.36Å; Y66-T99 HydrophobicContact CE2-CG2 4.25Å; L90-T99 HydrophobicContact CD2-CG2 4.48Å; P95-T99 PolarHBondContact O-N 3.16Å; P95-T99 VanDerWaalsContact O-N 3.14Å; G96-T99 WeakPolarHBondContact O-CB 3.22Å; G96-T99 PolarHBondContact O-N 2.89Å; T99-R101 PolarHBondContact O-N 3.31Å; T99-V102 WeakPolarHBondContact O-CB 3.39Å; T99-V102 PolarHBondContact O-N 3.13Å; T99-M103 HydrophobicContact CG2-CE 3.52Å; T99-M103 HydrophobicContact CG2-SD 4.41Å; T99-M103 WeakPolarHBondContact O-CG 3.33Å; T99-M103 PolarHBondContact O-N 2.86Å; T99-V125 HydrophobicContact CG2-CG1 4.12Å
100A92.1Very high91.5Very high6 Ų647 Ų475%0.0525%0.253CS..Hα-helixtrans-59.6-42.5174.900000113.4G96 L98 M103 S104 H128 V129G96-A100 WeakPolarHBondContact O-CB 3.24Å; G96-A100 PolarHBondContact O-N 2.77Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-A100 PolarHBondContact O-N 2.8Å; A100-M103 PolarHBondContact O-N 3.21Å; A100-S104 PolarHBondContact O-N 3.26Å; A100-H128 HydrophobicContact CB-CB 3.46Å; A100-H128 VanDerWaalsContact CB-CB 3.46Å; A100-V129 HydrophobicContact CB-CG2 3.56Å
101R89.7Confident91.5Very high117 Ų11746.7 Ų46.744%0.44225%0.251SS..Hα-helixtrans-63.6-42.7176-77.1173.2177-179.1-0.3111.7L97 L98 T99 M103 S104 Q105L97-R101 VanDerWaalsContact O-CG 3.28Å; L97-R101 WeakPolarHBondContact O-CG 3.26Å; L97-R101 PolarHBondContact O-N 3.03Å; L97-R101 VanDerWaalsContact O-N 3.07Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-R101 VanDerWaalsContact O-N 3.14Å; T99-R101 PolarHBondContact O-N 3.31Å; R101-M103 VanDerWaalsContact C-N 3.35Å; R101-S104 PolarHBondContact O-N 2.82Å; R101-Q105 WeakPolarHBondContact O-CB 3.4Å; R101-Q105 VanDerWaalsContact O-CG 3.32Å; R101-Q105 WeakPolarHBondContact O-CG 3.22Å; R101-Q105 PolarHBondContact O-N 3.37Å
102V91.3Very high91.7Very high12 Ų1242.3 Ų42.37%0.07323%0.228CC..Hα-helixtrans-58.6-48175.2170.40000110.6V88 L90 L98 T99 S104 Q105 C106 H185V88-V102 HydrophobicContact CG1-CG1 3.95Å; L90-V102 HydrophobicContact CD2-CB 4Å; L90-V102 HydrophobicContact CD2-CG1 3.43Å; L90-V102 VanDerWaalsContact CD2-CG1 3.43Å; L98-V102 WeakPolarHBondContact O-CG2 3.42Å; L98-V102 PolarHBondContact O-N 3.03Å; T99-V102 WeakPolarHBondContact O-CB 3.39Å; T99-V102 PolarHBondContact O-N 3.13Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.46Å; V102-Q105 PolarHBondContact O-N 2.96Å; V102-C106 VanDerWaalsContact O-CB 3.29Å; V102-C106 WeakPolarHBondContact O-CB 3.42Å; V102-C106 PolarHBondContact O-N 2.9Å; V102-C106 PolarHBondContact O-SG 3.45Å; V102-C106 VanDerWaalsContact O-SG 3.38Å; V102-H185 VanDerWaalsContact CG1-CD2 3.49Å; V102-H185 WeakPolarHBondContact CG1-CD2 3.37Å; V102-H185 HydrophobicContact CG2-CB 4.11Å
103M92Very high91.9Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-56.9-46.5177.6-68.5167.8179.700112.1L90 T99 A100 R101 C106 G107 L108 F121 V125 I147L90-M103 HydrophobicContact CD1-CE 3.61Å; L90-M103 HydrophobicContact CD1-CG 4.29Å; T99-M103 HydrophobicContact CG2-CE 3.52Å; T99-M103 HydrophobicContact CG2-SD 4.41Å; T99-M103 WeakPolarHBondContact O-CG 3.33Å; T99-M103 PolarHBondContact O-N 2.86Å; A100-M103 PolarHBondContact O-N 3.21Å; R101-M103 VanDerWaalsContact C-N 3.35Å; M103-C106 PolarHBondContact O-N 3.24Å; M103-G107 PolarHBondContact O-N 3.02Å; M103-L108 HydrophobicContact CB-CB 4.29Å; M103-L108 HydrophobicContact CB-CD1 4.24Å; M103-L108 HydrophobicContact CG-CD1 3.88Å; M103-L108 PolarHBondContact O-N 3.41Å; M103-F121 HydrophobicContact CE-CD2 4.5Å; M103-F121 HydrophobicContact CE-CE2 3.27Å; M103-F121 HydrophobicContact CE-CZ 3.44Å; M103-F121 VanDerWaalsContact CE-CZ 3.44Å; M103-V125 HydrophobicContact CE-CG1 4.46Å; M103-I147 HydrophobicContact CE-CD1 3.98Å; M103-I147 HydrophobicContact CG-CD1 4.13Å; M103-I147 HydrophobicContact SD-CD1 3.72Å; M103-I147 HydrophobicContact SD-CG2 4.26Å
104S90.8Very high92.1Very high27 Ų2736.3 Ų36.319%0.18920%0.199CC..Hα-helixtrans-65.5-47.1179.1-171.60000112.2A100 R101 V102 C106 G107 R150A100-S104 PolarHBondContact O-N 3.26Å; R101-S104 PolarHBondContact O-N 2.82Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.46Å; S104-C106 VanDerWaalsContact C-N 3.29Å; S104-C106 PolarHBondContact O-N 3.36Å; S104-G107 PolarHBondContact O-N 2.95Å; S104-R150 PolarHBondContact OG-O 3.38Å
105Q88.9Confident92.4Very high87 Ų8742.2 Ų42.241%0.40722%0.217SC..Hα-helixtrans-66-28.4179.1-72.1180-32.600113.7R101 V102 H185 R197R101-Q105 WeakPolarHBondContact O-CB 3.4Å; R101-Q105 VanDerWaalsContact O-CG 3.32Å; R101-Q105 WeakPolarHBondContact O-CG 3.22Å; R101-Q105 PolarHBondContact O-N 3.37Å; V102-Q105 PolarHBondContact O-N 2.96Å; Q105-H185 PolarHBondContact OE1-CE1 3.39Å; Q105-H185 PolarHBondContact OE1-ND1 2.95Å; Q105-R197 PolarHBondContact O-NH2 3.05Å
106C89.4Confident92.6Very high13 Ų1342.6 Ų42.69%0.08821%0.214CC..Hα-helixtrans-86.4-8.7174.2-69.90000113.3V88 V102 M103 S104 L108 I183 H185V88-C106 HydrophobicContact CG2-CB 4.42Å; V102-C106 VanDerWaalsContact O-CB 3.29Å; V102-C106 WeakPolarHBondContact O-CB 3.42Å; V102-C106 PolarHBondContact O-N 2.9Å; V102-C106 PolarHBondContact O-SG 3.45Å; V102-C106 VanDerWaalsContact O-SG 3.38Å; M103-C106 PolarHBondContact O-N 3.24Å; S104-C106 VanDerWaalsContact C-N 3.29Å; S104-C106 PolarHBondContact O-N 3.36Å; C106-L108 VanDerWaalsContact C-N 3.29Å; C106-L108 HydrophobicContact CB-CD2 3.88Å; C106-L108 HydrophobicContact CB-CG 3.8Å; C106-L108 PolarHBondContact O-N 3.06Å; C106-I183 HydrophobicContact CB-CD1 4.45Å; C106-H185 PolarHBondContact SG-NE2 3.15Å
107G88.9Confident92.9Very high46 Ų4643 Ų4347%0.47421%0.213SC..THydrogen-bonded Turntrans62.634.9-174.900000113M103 S104 K109M103-G107 PolarHBondContact O-N 3.02Å; S104-G107 PolarHBondContact O-N 2.95Å; G107-K109 PolarHBondContact O-N 3.26Å
108L91.4Very high93.2Very high0 Ų040.5 Ų40.50%020%0.201CC..  trans-67.4124.5-177.9-61.6-173.6000110.7A62 V88 L90 M103 C106 I147 P149A62-L108 HydrophobicContact CB-CD2 3.7Å; A62-L108 WeakPolarHBondContact O-CD2 3.3Å; V88-L108 HydrophobicContact CB-CD1 4.28Å; V88-L108 HydrophobicContact CB-CD2 4.36Å; V88-L108 HydrophobicContact CG1-CD1 4.4Å; V88-L108 HydrophobicContact CG2-CD2 3.82Å; L90-L108 HydrophobicContact CD1-CD1 4.3Å; M103-L108 HydrophobicContact CB-CB 4.29Å; M103-L108 HydrophobicContact CB-CD1 4.24Å; M103-L108 HydrophobicContact CG-CD1 3.88Å; M103-L108 PolarHBondContact O-N 3.41Å; C106-L108 VanDerWaalsContact C-N 3.29Å; C106-L108 HydrophobicContact CB-CD2 3.88Å; C106-L108 HydrophobicContact CB-CG 3.8Å; C106-L108 PolarHBondContact O-N 3.06Å; L108-I147 HydrophobicContact CB-CD1 4.43Å; L108-P149 WeakPolarHBondContact O-CD 3.47Å; L108-P149 WeakPolarHBondContact O-CG 3.39Å
109K91.8Very high93.6Very high134 Ų13443.8 Ų43.858%0.58322%0.215SC*.SBendtrans-97.3-21.9168.3-62.1-176.1-179-179.10112.5G107 H146 I147G107-K109 PolarHBondContact O-N 3.26Å; K109-H146 WeakPolarHBondContact O-CA 3.49Å; K109-H146 PolarHBondContact O-CD2 2.85Å; K109-I147 PolarHBondContact O-N 3.24Å
110Y94.5Very high93.8Very high40 Ų4048.2 Ų48.216%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-135.4142.2-176-59-74.8000110.7C56 G64 L144 M145 H146C56-Y110 HydrophobicContact CB-CD2 3.96Å; C56-Y110 HydrophobicContact CB-CE2 3.76Å; C56-Y110 HydrophobicContact CB-CG 4.45Å; G64-Y110 PolarHBondContact N-O 2.92Å; Y110-L144 HydrophobicContact CD1-CD2 4.38Å; Y110-L144 HydrophobicContact CD1-CG 4.47Å; Y110-M145 VanDerWaalsContact CA-O 3.27Å; Y110-M145 WeakPolarHBondContact CA-O 3.48Å; Y110-H146 AromaticContact CE1-CD2 3.87Å
111C96.2Very high94Very high0 Ų047.9 Ų47.90%023%0.229CC..EExtended strand (participates in β ladder)trans-134.3122.7169.9-178.10000109.9G64 V113 F121 M145 I147G64-C111 CarbonylContact O-C 3.51Å; G64-C111 WeakPolarHBondContact O-CA 3.48Å; C111-V113 HydrophobicContact CB-CG2 4.45Å; C111-F121 HydrophobicContact CB-CZ 4.33Å; C111-M145 PolarHBondContact N-O 3.02Å; C111-M145 PolarHBondContact O-N 2.79Å; C111-I147 HydrophobicContact CB-CD1 3.37Å; C111-I147 HydrophobicContact CB-CG1 4.31Å
112A97.4Very high94.3Very high4 Ų446 Ų463%0.03323%0.225CC..EExtended strand (participates in β ladder)trans-77.8116.7166.400000108.4V63 G64 L65 Y66 L142V63-A112 HydrophobicContact CG1-CB 4.46Å; G64-A112 PolarHBondContact O-N 3.34Å; L65-A112 WeakPolarHBondContact CA-O 3.44Å; L65-A112 HydrophobicContact CD1-CB 4.15Å; Y66-A112 PolarHBondContact N-O 3.49Å; A112-L142 HydrophobicContact CB-CD1 4.15Å; A112-L142 HydrophobicContact CB-CD2 4.31Å
113V98.3Very high94.4Very high0 Ų051.1 Ų51.10%025%0.248CC..EExtended strand (participates in β ladder)trans-110.5129.5-178.1-174.70000108.3Y66 C111 R115 L117 V118 F121 L142 T143 M145Y66-V113 HydrophobicContact CD1-CG1 3.9Å; Y66-V113 HydrophobicContact CG-CG1 4.5Å; Y66-V113 WeakPolarHBondContact O-CA 3.45Å; C111-V113 HydrophobicContact CB-CG2 4.45Å; V113-R115 PolarHBondContact O-N 2.84Å; V113-L117 HydrophobicContact CG1-CB 4.45Å; V113-V118 HydrophobicContact CB-CG2 4.36Å; V113-V118 HydrophobicContact CG1-CG2 4.04Å; V113-F121 HydrophobicContact CG1-CB 3.81Å; V113-F121 HydrophobicContact CG1-CD2 4.38Å; V113-F121 HydrophobicContact CG1-CG 4.01Å; V113-F121 HydrophobicContact CG2-CD1 3.92Å; V113-F121 HydrophobicContact CG2-CD2 3.99Å; V113-F121 HydrophobicContact CG2-CE1 4Å; V113-F121 HydrophobicContact CG2-CE2 4.02Å; V113-F121 HydrophobicContact CG2-CG 3.92Å; V113-F121 HydrophobicContact CG2-CZ 4.04Å; V113-L142 CarbonylContact O-C 3.45Å; V113-L142 WeakPolarHBondContact O-CA 3.41Å; V113-T143 PolarHBondContact N-O 3.16Å; V113-T143 PolarHBondContact O-N 2.8Å; V113-M145 HydrophobicContact CB-CG 4.47Å; V113-M145 HydrophobicContact CG2-CB 4.5Å; V113-M145 HydrophobicContact CG2-CG 3.62Å
114N97.8Very high94.5Very high6 Ų652.5 Ų52.53%0.03226%0.259CS..EExtended strand (participates in β ladder)trans-54.9129.8170.4-177.6-26.5000109Y66 C67 W76 D116 L117 V118Y66-N114 PolarHBondContact O-N 3.35Å; C67-N114 HydrophobicContact CB-CB 3.93Å; W76-N114 HydrophobicContact CH2-CB 4.36Å; N114-D116 PolarHBondContact O-N 3.41Å; N114-D116 VanDerWaalsContact O-N 3.11Å; N114-D116 PolarHBondContact OD1-N 2.8Å; N114-D116 VanDerWaalsContact OD1-N 3.14Å; N114-L117 HydrophobicContact CB-CB 4.47Å; N114-L117 HydrophobicContact CB-CD1 4.12Å; N114-L117 HydrophobicContact CB-CG 4.31Å; N114-L117 WeakPolarHBondContact O-CA 3.49Å; N114-L117 WeakPolarHBondContact O-CB 3.46Å; N114-L117 PolarHBondContact O-N 3.43Å; N114-V118 PolarHBondContact O-N 2.99Å
115R96.3Very high94.6Very high146 Ų14651.2 Ų51.255%0.55125%0.25SS*.G310 helixtrans-48.6-41.3-176.5180176.1-178.2-103.82.7112.4V113 L117 V118 R141V113-R115 PolarHBondContact O-N 2.84Å; R115-L117 PolarHBondContact O-N 2.89Å; R115-V118 WeakPolarHBondContact O-CG2 3.44Å; R115-V118 PolarHBondContact O-N 3.46Å; R115-R141 HydrophobicContact CB-CB 4.4Å; R115-R141 WeakPolarHBondContact CB-O 3.21Å; R115-R141 PolarHBondContact N-O 3.5Å
116D95.5Very high94.7Very high100 Ų10051.7 Ų51.754%0.53526%0.259SS..G310 helixtrans-74.3-10.5-176.4-56.9-33.2000112.6N114 R141N114-D116 PolarHBondContact O-N 3.41Å; N114-D116 VanDerWaalsContact O-N 3.11Å; N114-D116 PolarHBondContact OD1-N 2.8Å; N114-D116 VanDerWaalsContact OD1-N 3.14Å; D116-R141 IonicContact OD2-CZ 3.72Å; D116-R141 IonicContact OD2-NE 3.41Å; D116-R141 IonicContact OD2-NH2 2.7Å; D116-R141 PolarHBondContact OD2-NH2 2.89Å
117L97.3Very high94.7Very high21 Ų2157.9 Ų57.911%0.1129%0.291CS..G310 helixtrans-110.31.6-179.6-61.5179.1000113.7Y66 P92 V113 N114 R115 Q119 R120 F121Y66-L117 HydrophobicContact CD1-CB 4.14Å; Y66-L117 HydrophobicContact CD1-CD1 4.16Å; Y66-L117 HydrophobicContact CE1-CB 3.96Å; Y66-L117 HydrophobicContact CE1-CD1 4.16Å; P92-L117 HydrophobicContact CB-CD1 4Å; P92-L117 HydrophobicContact CG-CD1 3.49Å; P92-L117 VanDerWaalsContact CG-CD1 3.49Å; V113-L117 HydrophobicContact CG1-CB 4.45Å; N114-L117 HydrophobicContact CB-CB 4.47Å; N114-L117 HydrophobicContact CB-CD1 4.12Å; N114-L117 HydrophobicContact CB-CG 4.31Å; N114-L117 WeakPolarHBondContact O-CA 3.49Å; N114-L117 WeakPolarHBondContact O-CB 3.46Å; N114-L117 PolarHBondContact O-N 3.43Å; R115-L117 PolarHBondContact O-N 2.89Å; L117-Q119 PolarHBondContact O-N 3.22Å; L117-R120 PolarHBondContact O-N 2.95Å; L117-F121 WeakPolarHBondContact O-CB 3.37Å; L117-F121 PolarHBondContact O-N 3.4Å
118V97.1Very high94.7Very high25 Ų2559.1 Ų59.115%0.15228%0.284CS..Hα-helixtrans-57.4-47.3-176165.90000112.2V113 N114 R115 F121 Q122 T143 M145V113-V118 HydrophobicContact CB-CG2 4.36Å; V113-V118 HydrophobicContact CG1-CG2 4.04Å; N114-V118 PolarHBondContact O-N 2.99Å; R115-V118 WeakPolarHBondContact O-CG2 3.44Å; R115-V118 PolarHBondContact O-N 3.46Å; V118-F121 WeakPolarHBondContact O-CB 3.32Å; V118-F121 PolarHBondContact O-N 3.14Å; V118-Q122 WeakPolarHBondContact O-CG 3.43Å; V118-Q122 PolarHBondContact O-N 2.86Å; V118-T143 HydrophobicContact CG2-CG2 4.44Å; V118-M145 HydrophobicContact CB-CE 4.21Å; V118-M145 HydrophobicContact CG1-CE 3.47Å; V118-M145 VanDerWaalsContact CG1-CE 3.47Å; V118-M145 HydrophobicContact CG2-CE 3.9Å
119Q96.4Very high94.6Very high132 Ų13259.4 Ų59.462%0.61729%0.286SS*.Hα-helixtrans-62-48.7179.1-178.2-179.4-9.900111L117 F121 Q122 E123L117-Q119 PolarHBondContact O-N 3.22Å; Q119-F121 VanDerWaalsContact C-N 3.29Å; Q119-F121 PolarHBondContact O-N 2.81Å; Q119-Q122 PolarHBondContact O-N 3.19Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.49Å; Q119-E123 WeakPolarHBondContact O-CG 3.36Å; Q119-E123 PolarHBondContact O-N 3.08Å
120R96.3Very high94.5Very high96 Ų9655.3 Ų55.336%0.36227%0.273SS..Hα-helixtrans-59.1-41.7178.1-178.7177.7177.4165.43.6111.8P92 E93 L117 A124P92-R120 PolarHBondContact O-NE 3.49Å; P92-R120 VanDerWaalsContact O-NE 3.16Å; P92-R120 PolarHBondContact O-NH2 3.32Å; E93-R120 IonicContact OE1-CZ 3.86Å; E93-R120 IonicContact OE1-NH1 3.02Å; E93-R120 PolarHBondContact OE1-NH1 3.48Å; E93-R120 IonicContact OE1-NH2 3.21Å; E93-R120 PolarHBondContact OE1-NH2 3.41Å; E93-R120 IonicContact OE2-CZ 2.78Å; E93-R120 IonicContact OE2-NH1 2.79Å; E93-R120 IonicContact OE2-NH2 3.71Å; E93-R120 PolarHBondContact OE2-NH2 2.87Å; L117-R120 PolarHBondContact O-N 2.95Å; R120-A124 VanDerWaalsContact O-CB 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.46Å; R120-A124 PolarHBondContact O-N 3.36Å
121F96.7Very high94.4Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-59.8-50176.6175.7-96.3000111.2Y66 M103 C111 V113 L117 V118 Q119 A124 V125 V131 M145Y66-F121 HydrophobicContact CD1-CB 4.15Å; Y66-F121 AromaticContact CD1-CD2 3.86Å; Y66-F121 HydrophobicContact CD1-CD2 3.86Å; Y66-F121 HydrophobicContact CD1-CG 4.45Å; Y66-F121 AromaticContact CD2-CD2 3.6Å; Y66-F121 HydrophobicContact CD2-CD2 3.6Å; Y66-F121 HydrophobicContact CD2-CE2 4.02Å; Y66-F121 HydrophobicContact CE1-CB 3.89Å; Y66-F121 HydrophobicContact CE1-CD2 4.07Å; Y66-F121 AromaticContact CE2-CD2 3.84Å; Y66-F121 HydrophobicContact CE2-CD2 3.84Å; Y66-F121 AromaticContact CG-CD2 3.58Å; Y66-F121 HydrophobicContact CG-CD2 3.58Å; Y66-F121 HydrophobicContact CG-CE2 4.14Å; M103-F121 HydrophobicContact CE-CD2 4.5Å; M103-F121 HydrophobicContact CE-CE2 3.27Å; M103-F121 HydrophobicContact CE-CZ 3.44Å; M103-F121 VanDerWaalsContact CE-CZ 3.44Å; C111-F121 HydrophobicContact CB-CZ 4.33Å; V113-F121 HydrophobicContact CG1-CB 3.81Å; V113-F121 HydrophobicContact CG1-CD2 4.38Å; V113-F121 HydrophobicContact CG1-CG 4.01Å; V113-F121 HydrophobicContact CG2-CD1 3.92Å; V113-F121 HydrophobicContact CG2-CD2 3.99Å; V113-F121 HydrophobicContact CG2-CE1 4Å; V113-F121 HydrophobicContact CG2-CE2 4.02Å; V113-F121 HydrophobicContact CG2-CG 3.92Å; V113-F121 HydrophobicContact CG2-CZ 4.04Å; L117-F121 WeakPolarHBondContact O-CB 3.37Å; L117-F121 PolarHBondContact O-N 3.4Å; V118-F121 WeakPolarHBondContact O-CB 3.32Å; V118-F121 PolarHBondContact O-N 3.14Å; Q119-F121 VanDerWaalsContact C-N 3.29Å; Q119-F121 PolarHBondContact O-N 2.81Å; F121-A124 PolarHBondContact O-N 3.16Å; F121-V125 HydrophobicContact CD1-CG2 4.38Å; F121-V125 HydrophobicContact CE1-CG2 4.11Å; F121-V125 HydrophobicContact CE2-CG1 4.5Å; F121-V125 HydrophobicContact CZ-CG2 4.39Å; F121-V125 VanDerWaalsContact O-CG2 3.3Å; F121-V125 WeakPolarHBondContact O-CG2 3.5Å; F121-V125 PolarHBondContact O-N 3.11Å; F121-V125 VanDerWaalsContact O-N 3.11Å; F121-V131 HydrophobicContact CE1-CB 4.36Å; F121-V131 HydrophobicContact CE1-CG1 4Å; F121-V131 HydrophobicContact CE1-CG2 4.47Å; F121-V131 HydrophobicContact CZ-CG1 4.42Å; F121-M145 HydrophobicContact CD1-CG 4.36Å; F121-M145 HydrophobicContact CE1-CB 4.31Å; F121-M145 HydrophobicContact CE1-CG 3.94Å
122Q95.4Very high94.3Very high76 Ų7661.3 Ų61.336%0.35531%0.305SS..Hα-helixtrans-59.6-49.4179-72.8174-30.600111.3V118 Q119 A124 V125 V126 V131V118-Q122 WeakPolarHBondContact O-CG 3.43Å; V118-Q122 PolarHBondContact O-N 2.86Å; Q119-Q122 PolarHBondContact O-N 3.19Å; Q122-A124 VanDerWaalsContact C-N 3.3Å; Q122-A124 PolarHBondContact O-N 3.01Å; Q122-V125 PolarHBondContact O-N 2.85Å; Q122-V126 VanDerWaalsContact O-CB 3.28Å; Q122-V126 WeakPolarHBondContact O-CB 3.48Å; Q122-V126 PolarHBondContact O-N 3.33Å; Q122-V131 HydrophobicContact CG-CG2 4.44Å
123E94.8Very high94.2Very high121 Ų12164.7 Ų64.757%0.56533%0.325SS*.Hα-helixtrans-59.9-38.8177.6-71172-175.500112.3Q119Q119-E123 WeakPolarHBondContact CG-OE1 3.35Å; Q119-E123 PolarHBondContact NE2-OE1 3.49Å; Q119-E123 WeakPolarHBondContact O-CG 3.36Å; Q119-E123 PolarHBondContact O-N 3.08Å
124A93.4Very high94Very high28 Ų2867.1 Ų67.123%0.23134%0.341CS..Hα-helixtrans-69.2-34.5-179.900000113.1G96 R120 F121 Q122G96-A124 WeakPolarHBondContact CA-O 3.34Å; R120-A124 VanDerWaalsContact O-CB 3.25Å; R120-A124 WeakPolarHBondContact O-CB 3.46Å; R120-A124 PolarHBondContact O-N 3.36Å; F121-A124 PolarHBondContact O-N 3.16Å; Q122-A124 VanDerWaalsContact C-N 3.3Å; Q122-A124 PolarHBondContact O-N 3.01Å
125V93.3Very high93.8Very high0 Ų068.9 Ų68.90%035%0.352CS..Hα-helixtrans-107.2-9.2-171.8-53.50000114.6T99 M103 F121 Q122 D127 H128 V129 V131T99-V125 HydrophobicContact CG2-CG1 4.12Å; M103-V125 HydrophobicContact CE-CG1 4.46Å; F121-V125 HydrophobicContact CD1-CG2 4.38Å; F121-V125 HydrophobicContact CE1-CG2 4.11Å; F121-V125 HydrophobicContact CE2-CG1 4.5Å; F121-V125 HydrophobicContact CZ-CG2 4.39Å; F121-V125 VanDerWaalsContact O-CG2 3.3Å; F121-V125 WeakPolarHBondContact O-CG2 3.5Å; F121-V125 PolarHBondContact O-N 3.11Å; F121-V125 VanDerWaalsContact O-N 3.11Å; Q122-V125 PolarHBondContact O-N 2.85Å; V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 2.89Å; V125-D127 VanDerWaalsContact O-N 3.15Å; V125-H128 PolarHBondContact O-N 3.28Å; V125-V129 PolarHBondContact O-N 3.39Å; V125-V131 HydrophobicContact CG2-CG1 3.7Å; V125-V131 HydrophobicContact CG2-CG2 3.96Å
126V90.4Very high93.8Very high97 Ų9768.1 Ų68.159%0.58836%0.355SS*.THydrogen-bonded Turntrans-52.3-39.7-174.165.60000113.7Q122 H128Q122-V126 VanDerWaalsContact O-CB 3.28Å; Q122-V126 WeakPolarHBondContact O-CB 3.48Å; Q122-V126 PolarHBondContact O-N 3.33Å; V126-H128 VanDerWaalsContact C-N 3.27Å; V126-H128 PolarHBondContact O-N 3Å
127D89Confident93.9Very high144 Ų14464.1 Ų64.177%0.7733%0.333SS*.THydrogen-bonded Turntrans-82.5-3.5-179.1-68.8-33.9000113.6V125V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 2.89Å; V125-D127 VanDerWaalsContact O-N 3.15Å
128H88.8Confident93.7Very high71 Ų7167.5 Ų67.533%0.32936%0.356SS..THydrogen-bonded Turntrans-122-40.3-169.1-57.3-40000113.1L97 A100 V125 V126L97-H128 PolarHBondContact N-CD2 3.34Å; L97-H128 PolarHBondContact N-NE2 3.47Å; A100-H128 HydrophobicContact CB-CB 3.46Å; A100-H128 VanDerWaalsContact CB-CB 3.46Å; V125-H128 PolarHBondContact O-N 3.28Å; V126-H128 VanDerWaalsContact C-N 3.27Å; V126-H128 PolarHBondContact O-N 3Å
129V89.1Confident93.5Very high6 Ų672.3 Ų72.34%0.03638%0.378CS..SBendtrans-146.1129.5-175.2-172.80000110.2A100 V125 V131 I147A100-V129 HydrophobicContact CB-CG2 3.56Å; V125-V129 PolarHBondContact O-N 3.39Å; V129-V131 PolarHBondContact O-N 3.39Å; V129-I147 HydrophobicContact CG1-CG2 3.34Å
130P90.6Very high93.4Very high48 Ų4866.2 Ų66.231%0.31235%0.349SS..  trans-61.5130.5169.6-18.230.7000110.8E148P130-E148 HydrophobicContact CB-CB 4.39Å; P130-E148 HydrophobicContact CG-CB 4.5Å; P130-E148 PolarHBondContact O-N 2.9Å
131V93.3Very high93.5Very high33 Ų3366 Ų6620%0.235%0.348CS..EExtended strand (participates in β ladder)trans-131.4138.5177.5-640000110.2F121 Q122 V125 V129 H146 I147F121-V131 HydrophobicContact CE1-CB 4.36Å; F121-V131 HydrophobicContact CE1-CG1 4Å; F121-V131 HydrophobicContact CE1-CG2 4.47Å; F121-V131 HydrophobicContact CZ-CG1 4.42Å; Q122-V131 HydrophobicContact CG-CG2 4.44Å; V125-V131 HydrophobicContact CG2-CG1 3.7Å; V125-V131 HydrophobicContact CG2-CG2 3.96Å; V129-V131 PolarHBondContact O-N 3.39Å; V131-H146 WeakPolarHBondContact CA-O 3.41Å; V131-I147 HydrophobicContact CG1-CG1 4.29Å
132E93.8Very high93.5Very high134 Ų13466.1 Ų66.163%0.62635%0.349SS*.EExtended strand (participates in β ladder)trans-133.5146.5178-65.7-174.7169.200110.1C134 M145 H146E132-C134 PolarHBondContact O-N 3.46Å; E132-M145 CarbonylContact O-C 3.53Å; E132-M145 VanDerWaalsContact O-CA 3.31Å; E132-M145 WeakPolarHBondContact O-CA 3.35Å; E132-H146 PolarHBondContact N-O 2.89Å; E132-H146 PolarHBondContact O-N 2.7Å
133V95.4Very high93.6Very high74 Ų7462.8 Ų62.845%0.44833%0.334SS..EExtended strand (participates in β ladder)trans-75.6119.7176.6177.70000109.1T143 M145V133-T143 HydrophobicContact CG1-CG2 3.75Å; V133-T143 HydrophobicContact CG2-CG2 4.34Å; V133-M145 HydrophobicContact CB-SD 4.4Å; V133-M145 HydrophobicContact CG2-CE 4.11Å; V133-M145 HydrophobicContact CG2-SD 3.76Å
134C92.8Very high93.7Very high52 Ų5257.1 Ų57.135%0.35131%0.307SS..EExtended strand (participates in β ladder)trans-80.1-56.3171.3-70.50000111.3T55 E132 L144 H146T55-C134 HydrophobicContact CG2-CB 4.05Å; E132-C134 PolarHBondContact O-N 3.46Å; C134-L144 HydrophobicContact CB-CB 4.4Å; C134-L144 HydrophobicContact CB-CD2 4.18Å; C134-L144 HydrophobicContact CB-CG 4.28Å; C134-L144 WeakPolarHBondContact CB-O 3.31Å; C134-L144 PolarHBondContact N-O 3.48Å; C134-H146 VanDerWaalsContact SG-CB 3.51Å; C134-H146 PolarHBondContact SG-N 3.26Å; C134-H146 VanDerWaalsContact SG-N 3.39Å
135V94.8Very high93.8Very high42 Ų4255.8 Ų55.826%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-158.5142.3-173.666.70000110T55 L137 L144T55-V135 HydrophobicContact CG2-CB 4.26Å; T55-V135 HydrophobicContact CG2-CG1 3.78Å; V135-L137 HydrophobicContact CG1-CD2 4.09Å; V135-L137 HydrophobicContact CG1-CG 4.18Å; V135-L137 HydrophobicContact CG2-CD2 4.23Å; V135-L144 HydrophobicContact CG1-CB 3.8Å; V135-L144 HydrophobicContact CG1-CD2 4.01Å; V135-L144 PolarHBondContact N-O 2.84Å; V135-L144 PolarHBondContact O-N 2.64Å
136E96.5Very high93.8Very high130 Ų13058.2 Ų58.261%0.60731%0.308SS*.EExtended strand (participates in β ladder)trans-91133.1167.8-64.8-173.8179.800109.6P138 T143E136-P138 VanDerWaalsContact C-CD 3.42Å; E136-P138 VanDerWaalsContact O-CD 3.22Å; E136-P138 WeakPolarHBondContact O-CD 3.41Å; E136-T143 HydrophobicContact CG-CG2 4.23Å
137L95.9Very high93.8Very high16 Ų1653.7 Ų53.78%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-117.872.9178.9-57.5172.3000108.9L48 A51 V135 Q139 F140 R141 L142L48-L137 HydrophobicContact CD1-CD1 3.91Å; A51-L137 HydrophobicContact CB-CD2 4Å; V135-L137 HydrophobicContact CG1-CD2 4.09Å; V135-L137 HydrophobicContact CG1-CG 4.18Å; V135-L137 HydrophobicContact CG2-CD2 4.23Å; L137-Q139 PolarHBondContact O-N 2.88Å; L137-F140 HydrophobicContact CB-CD2 3.82Å; L137-F140 HydrophobicContact CD1-CD2 4.24Å; L137-F140 PolarHBondContact O-N 3.02Å; L137-R141 PolarHBondContact O-N 3.25Å; L137-L142 CarbonylContact C-O 3.58Å; L137-L142 WeakPolarHBondContact CA-O 3.49Å; L137-L142 HydrophobicContact CB-CB 4.43Å; L137-L142 WeakPolarHBondContact CB-O 3.31Å; L137-L142 PolarHBondContact N-O 3.34Å; L137-L142 PolarHBondContact O-N 2.86Å
138P94.5Very high93.7Very high92 Ų9252.2 Ų52.260%0.59727%0.268SS*.G310 helixtrans-60.1-33.9-170.422.9-33.8000112.8E136 F140 R141E136-P138 VanDerWaalsContact C-CD 3.42Å; E136-P138 VanDerWaalsContact O-CD 3.22Å; E136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-F140 PolarHBondContact O-N 3.33Å; P138-R141 PolarHBondContact O-N 3.08Å
139Q92.3Very high92.7Very high127 Ų12750.8 Ų50.859%0.59327%0.266SS*.G310 helixtrans-59.6-25.6175.868.7-152.137.100113.8L137L137-Q139 PolarHBondContact O-N 2.88Å
140F95.4Very high91.6Very high3 Ų358.7 Ų58.71%0.01330%0.295CS..G310 helixtrans-105.80.7177.3-52.9-58.5000112.5L44 D47 L48 A51 W76 L137 P138 L142L44-F140 HydrophobicContact CD2-CD1 4.36Å; L44-F140 HydrophobicContact CD2-CE1 4.16Å; L44-F140 WeakPolarHBondContact O-CE1 3.36Å; D47-F140 HydrophobicContact CB-CE1 4.12Å; D47-F140 HydrophobicContact CB-CZ 3.66Å; L48-F140 VanDerWaalsContact CA-CZ 3.44Å; L48-F140 HydrophobicContact CB-CD1 4.25Å; L48-F140 HydrophobicContact CB-CD2 4.17Å; L48-F140 HydrophobicContact CB-CE1 3.93Å; L48-F140 HydrophobicContact CB-CE2 3.88Å; L48-F140 HydrophobicContact CB-CG 4.38Å; L48-F140 HydrophobicContact CB-CZ 3.76Å; L48-F140 HydrophobicContact CD1-CD2 3.57Å; L48-F140 HydrophobicContact CD1-CE2 3.87Å; L48-F140 HydrophobicContact CD1-CG 4.1Å; L48-F140 HydrophobicContact CG-CD2 4.42Å; L48-F140 HydrophobicContact CG-CE2 4.49Å; A51-F140 HydrophobicContact CB-CE2 4.38Å; W76-F140 VanDerWaalsContact CE2-O 3.26Å; W76-F140 WeakPolarHBondContact CZ2-O 3.44Å; W76-F140 PolarHBondContact NE1-O 3.06Å; L137-F140 HydrophobicContact CB-CD2 3.82Å; L137-F140 HydrophobicContact CD1-CD2 4.24Å; L137-F140 PolarHBondContact O-N 3.02Å; P138-F140 PolarHBondContact O-N 3.33Å; F140-L142 HydrophobicContact CB-CB 4.31Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 HydrophobicContact CB-CG 4.14Å; F140-L142 PolarHBondContact O-N 3.45Å
141R96.8Very high90Very high91 Ų9162.2 Ų62.234%0.34332%0.317SS..THydrogen-bonded Turntrans50.538.8-169.2-61.7171.361.9-153.7-1.2112D70 L72 W76 R115 D116 L137 P138D70-R141 IonicContact OD1-NH1 3.78Å; D70-R141 IonicContact OD2-CZ 2.69Å; D70-R141 IonicContact OD2-NH1 3.44Å; D70-R141 PolarHBondContact OD2-NH1 2.85Å; D70-R141 IonicContact OD2-NH2 3.92Å; L72-R141 HydrophobicContact CD1-CG 4.48Å; W76-R141 HydrophobicContact CZ2-CB 4.5Å; R115-R141 HydrophobicContact CB-CB 4.4Å; R115-R141 WeakPolarHBondContact CB-O 3.21Å; R115-R141 PolarHBondContact N-O 3.5Å; D116-R141 IonicContact OD2-CZ 3.72Å; D116-R141 IonicContact OD2-NE 3.41Å; D116-R141 IonicContact OD2-NH2 2.7Å; D116-R141 PolarHBondContact OD2-NH2 2.89Å; L137-R141 PolarHBondContact O-N 3.25Å; P138-R141 PolarHBondContact O-N 3.08Å
142L97.9Very high88.2Confident3 Ų364.7 Ų64.72%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-120.2147.7177.3-69.7175.4000110.6L48 L65 W76 A112 V113 L137 F140L48-L142 HydrophobicContact CD1-CD1 4.16Å; L48-L142 HydrophobicContact CD2-CD1 4.18Å; L65-L142 HydrophobicContact CD1-CD2 4.4Å; W76-L142 HydrophobicContact CB-CD1 4.42Å; W76-L142 VanDerWaalsContact CD1-CD1 3.46Å; W76-L142 HydrophobicContact CD2-CD1 4.18Å; W76-L142 HydrophobicContact CD2-CD2 3.98Å; W76-L142 HydrophobicContact CD2-CG 4.25Å; W76-L142 HydrophobicContact CE3-CD2 4.31Å; W76-L142 HydrophobicContact CG-CD1 3.79Å; W76-L142 HydrophobicContact CG-CD2 4.43Å; W76-L142 HydrophobicContact CG-CG 4.37Å; W76-L142 HydrophobicContact CH2-CD2 4.47Å; W76-L142 HydrophobicContact CZ2-CD2 4.09Å; W76-L142 HydrophobicContact CZ2-CG 4.28Å; A112-L142 HydrophobicContact CB-CD1 4.15Å; A112-L142 HydrophobicContact CB-CD2 4.31Å; V113-L142 CarbonylContact O-C 3.45Å; V113-L142 WeakPolarHBondContact O-CA 3.41Å; L137-L142 CarbonylContact C-O 3.58Å; L137-L142 WeakPolarHBondContact CA-O 3.49Å; L137-L142 HydrophobicContact CB-CB 4.43Å; L137-L142 WeakPolarHBondContact CB-O 3.31Å; L137-L142 PolarHBondContact N-O 3.34Å; L137-L142 PolarHBondContact O-N 2.86Å; F140-L142 HydrophobicContact CB-CB 4.31Å; F140-L142 HydrophobicContact CB-CD1 4.09Å; F140-L142 HydrophobicContact CB-CG 4.14Å; F140-L142 PolarHBondContact O-N 3.45Å
143T97.7Very high86.2Confident7 Ų761.9 Ų61.94%0.04333%0.332CS..EExtended strand (participates in β ladder)trans-118.1124.7162.5-59.50000107.8V113 V118 V133 E136 M145V113-T143 PolarHBondContact N-O 3.16Å; V113-T143 PolarHBondContact O-N 2.8Å; V118-T143 HydrophobicContact CG2-CG2 4.44Å; V133-T143 HydrophobicContact CG1-CG2 3.75Å; V133-T143 HydrophobicContact CG2-CG2 4.34Å; E136-T143 HydrophobicContact CG-CG2 4.23Å; T143-M145 HydrophobicContact CG2-CE 3.56Å; T143-M145 HydrophobicContact CG2-SD 4.12Å
144L96.3Very high83.8Confident1 Ų167.7 Ų67.71%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-86.2121.5176.9-175.271000109.1L52 T55 C56 Y110 C134 V135L52-L144 HydrophobicContact CD2-CD1 4.03Å; L52-L144 HydrophobicContact CD2-CD2 4.34Å; T55-L144 HydrophobicContact CG2-CD2 3.87Å; C56-L144 WeakPolarHBondContact SG-CD2 3.34Å; Y110-L144 HydrophobicContact CD1-CD2 4.38Å; Y110-L144 HydrophobicContact CD1-CG 4.47Å; C134-L144 HydrophobicContact CB-CB 4.4Å; C134-L144 HydrophobicContact CB-CD2 4.18Å; C134-L144 HydrophobicContact CB-CG 4.28Å; C134-L144 WeakPolarHBondContact CB-O 3.31Å; C134-L144 PolarHBondContact N-O 3.48Å; V135-L144 HydrophobicContact CG1-CB 3.8Å; V135-L144 HydrophobicContact CG1-CD2 4.01Å; V135-L144 PolarHBondContact N-O 2.84Å; V135-L144 PolarHBondContact O-N 2.64Å
145M95.1Very high81.3Confident0 Ų073 Ų730%038%0.38CS..EExtended strand (participates in β ladder)trans-102.2135.1178.7-58.2-65.8-179.900110.3Y110 C111 V113 V118 F121 E132 V133 T143Y110-M145 VanDerWaalsContact CA-O 3.27Å; Y110-M145 WeakPolarHBondContact CA-O 3.48Å; C111-M145 PolarHBondContact N-O 3.02Å; C111-M145 PolarHBondContact O-N 2.79Å; V113-M145 HydrophobicContact CB-CG 4.47Å; V113-M145 HydrophobicContact CG2-CB 4.5Å; V113-M145 HydrophobicContact CG2-CG 3.62Å; V118-M145 HydrophobicContact CB-CE 4.21Å; V118-M145 HydrophobicContact CG1-CE 3.47Å; V118-M145 VanDerWaalsContact CG1-CE 3.47Å; V118-M145 HydrophobicContact CG2-CE 3.9Å; F121-M145 HydrophobicContact CD1-CG 4.36Å; F121-M145 HydrophobicContact CE1-CB 4.31Å; F121-M145 HydrophobicContact CE1-CG 3.94Å; E132-M145 CarbonylContact O-C 3.53Å; E132-M145 VanDerWaalsContact O-CA 3.31Å; E132-M145 WeakPolarHBondContact O-CA 3.35Å; V133-M145 HydrophobicContact CB-SD 4.4Å; V133-M145 HydrophobicContact CG2-CE 4.11Å; V133-M145 HydrophobicContact CG2-SD 3.76Å; T143-M145 HydrophobicContact CG2-CE 3.56Å; T143-M145 HydrophobicContact CG2-SD 4.12Å
146H93.4Very high78.5Confident52 Ų5273.8 Ų73.824%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-78.3137.4160.7-168.9-118.8000109K109 Y110 V131 E132 C134 E148K109-H146 WeakPolarHBondContact O-CA 3.49Å; K109-H146 PolarHBondContact O-CD2 2.85Å; Y110-H146 AromaticContact CE1-CD2 3.87Å; V131-H146 WeakPolarHBondContact CA-O 3.41Å; E132-H146 PolarHBondContact N-O 2.89Å; E132-H146 PolarHBondContact O-N 2.7Å; C134-H146 VanDerWaalsContact SG-CB 3.51Å; C134-H146 PolarHBondContact SG-N 3.26Å; C134-H146 VanDerWaalsContact SG-N 3.39Å; H146-E148 IonicContact CE1-OE1 3.68Å
147I91.4Very high76Confident1 Ų173.2 Ų73.21%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-123.6129.7179-56.3173.6000107.5M103 L108 K109 C111 V129 V131 P149M103-I147 HydrophobicContact CE-CD1 3.98Å; M103-I147 HydrophobicContact CG-CD1 4.13Å; M103-I147 HydrophobicContact SD-CD1 3.72Å; M103-I147 HydrophobicContact SD-CG2 4.26Å; L108-I147 HydrophobicContact CB-CD1 4.43Å; K109-I147 PolarHBondContact O-N 3.24Å; C111-I147 HydrophobicContact CB-CD1 3.37Å; C111-I147 HydrophobicContact CB-CG1 4.31Å; V129-I147 HydrophobicContact CG1-CG2 3.34Å; V131-I147 HydrophobicContact CG1-CG1 4.29Å; I147-P149 VanDerWaalsContact C-CD 3.42Å; I147-P149 WeakPolarHBondContact O-CD 3.4Å
148E85.6Confident73.5Confident114 Ų11481.9 Ų81.953%0.53344%0.443SS..  trans-104.181.5169.4-63.4-164.2161.900109.7P130 H146 R150P130-E148 HydrophobicContact CB-CB 4.39Å; P130-E148 HydrophobicContact CG-CB 4.5Å; P130-E148 PolarHBondContact O-N 2.9Å; H146-E148 IonicContact CE1-OE1 3.68Å; E148-R150 PolarHBondContact O-N 2.9Å
149P68.8Low70.7Confident41 Ų4188.6 Ų88.627%0.26646%0.457SS..  trans-62118.1-177.924.2-32.2000109.3L108 I147L108-P149 WeakPolarHBondContact O-CD 3.47Å; L108-P149 WeakPolarHBondContact O-CG 3.39Å; I147-P149 VanDerWaalsContact C-CD 3.42Å; I147-P149 WeakPolarHBondContact O-CD 3.4Å
150R65.6Low68.2Low171 Ų17187.9 Ų87.965%0.64547%0.473SS*.  trans-68.4134.7165.5-70.5-177.9177167.51.2108S104 E148 V152S104-R150 PolarHBondContact OG-O 3.38Å; E148-R150 PolarHBondContact O-N 2.9Å; R150-V152 PolarHBondContact O-N 3.03Å
151P57.9Low65.3Low122 Ų12291.4 Ų91.479%0.79251%0.509SS*.  trans-60.6115.2167.919.4-23.9000107.5A153P151-A153 PolarHBondContact O-N 2.92Å
152V54.7Low62.2Low86 Ų8690.9 Ų90.952%0.52153%0.533SS..  trans-68.5114.9174-177.30000105.8R150 E154R150-V152 PolarHBondContact O-N 3.03Å; V152-E154 PolarHBondContact O-N 3.27Å
153A51.2Low59Low74 Ų7497.2 Ų97.261%0.61258%0.576SS**  trans-55.8128.3167.700000107.4P151 D155P151-A153 PolarHBondContact O-N 2.92Å; A153-D155 PolarHBondContact O-N 3.38Å
154E44.6Very low55.8Low196 Ų196103 Ų10392%0.91661%0.607SS**  trans-63.891.4172.2-67.1-169.2161.800108.2V152 G156V152-E154 PolarHBondContact O-N 3.27Å; E154-G156 PolarHBondContact O-N 3.19Å
155D41.1Very low53Low165 Ų165108.4 Ų108.488%0.88264%0.641SS**  trans-7084.1168.6-88.1-22.2000108.2A153A153-D155 PolarHBondContact O-N 3.38Å
156G36.4Very low50.1Low58 Ų58113.2 Ų113.260%0.59868%0.675SS**  trans-98.4131.7170.600000111.1E154 Q158E154-G156 PolarHBondContact O-N 3.19Å; G156-Q158 PolarHBondContact O-N 3.48Å
157P43Very low47.4Very low117 Ų117117.4 Ų117.476%0.7670%0.699SS**  trans-76.2111.1151.227.6-23000108.1R159P157-R159 PolarHBondContact O-N 3.12Å
158Q43Very low44.6Very low199 Ų199125.7 Ų125.793%0.9374%0.735SS**  trans-59.8103.3168.4-69.6171.15.300109.1G156G156-Q158 PolarHBondContact O-N 3.48Å
159R36.5Very low42.5Very low233 Ų233126.3 Ų126.388%0.87975%0.747SS**  trans-94.1111.2161.9-74.4-173.7175.2-176.9-0.3107.9P157 G161P157-R159 PolarHBondContact O-N 3.12Å; R159-G161 PolarHBondContact O-N 3.09Å
160A40.6Very low40.8Very low112 Ų112129.3 Ų129.393%0.92676%0.764SS**  trans-58.3118.3169.200000109.7
161G34.4Very low39.3Very low76 Ų76126.8 Ų126.878%0.78477%0.77SS**  trans178.587.5176.100000113.4R159R159-G161 PolarHBondContact O-N 3.09Å
162G30.7Very low38.4Very low81 Ų81126.8 Ų126.884%0.83576%0.763SS**  trans7797.9156.900000117.2D164G162-D164 PolarHBondContact O-N 3.36Å
163C30.6Very low37.4Very low136 Ų136131.9 Ų131.992%0.91978%0.778SS**  trans-68.1123168.4-68.30000111.7
164D31.8Very low37.1Very low129 Ų129132.7 Ų132.769%0.6977%0.772SS**  trans-104.7122.9150.5-168.82.5000107.7G162 S166G162-D164 PolarHBondContact O-N 3.36Å; D164-S166 PolarHBondContact O-N 2.98Å
165P35.8Very low36.6Very low113 Ų113128.4 Ų128.473%0.73476%0.763SS**THydrogen-bonded Turntrans-75.59.8-164.9-1429.9000116.5
166S34.9Very low36.6Very low101 Ų101122.3 Ų122.371%0.70674%0.74SS**THydrogen-bonded Turntrans-95.3-8.2-173.166.70000116.3D164 K168D164-S166 PolarHBondContact O-N 2.98Å; S166-K168 PolarHBondContact O-N 3.43Å
167D36.9Very low37.4Very low140 Ų140125.7 Ų125.775%0.74974%0.735SS**  trans-9665.4-179-157.220.7000111.8T169D167-T169 PolarHBondContact O-N 2.82Å
168K32.5Very low38.1Very low176 Ų176124.7 Ų124.777%0.76573%0.728SS**  trans-86.9100.3161.8-69.2-173.2-178.5-178.90107S166 V170S166-K168 PolarHBondContact O-N 3.43Å; K168-V170 PolarHBondContact O-N 2.98Å
169T41.3Very low40Very low127 Ų127117.4 Ų117.478%0.77970%0.696SS**  trans-59.385.915829.10000108.2D167 P171D167-T169 PolarHBondContact O-N 2.82Å; T169-P171 WeakPolarHBondContact O-CD 3.49Å
170V33.3Very low42.6Very low104 Ų104107.7 Ų107.763%0.6366%0.661SS**  trans-61.4126.4168.4179.40000106.2K168 L172K168-V170 PolarHBondContact O-N 2.98Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.47Å
171P34.8Very low45.1Very low117 Ų117102.4 Ų102.476%0.7662%0.617SS**  trans-61.5102.9169.9-13.326.6000106.5T169 K173T169-P171 WeakPolarHBondContact O-CD 3.49Å; P171-K173 PolarHBondContact O-N 3.09Å
172L37.4Very low48Very low123 Ų123100.7 Ų100.764%0.64459%0.587SS**  trans-61.8104.9171.8-83.8152.2000105.6V170 D174V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.47Å; L172-D174 PolarHBondContact O-N 2.84Å
173K34.6Very low51.1Low193 Ų19397 Ų9784%0.83955%0.548SS*.  trans-5794.5161-86.3179.8171.4179.60106.5P171 S175P171-K173 PolarHBondContact O-N 3.09Å; K173-S175 PolarHBondContact O-N 3.24Å
174D44.4Very low54Low91 Ų9193.7 Ų93.749%0.48752%0.521SS..  trans-78.134.8-179.4-116.2-3.6000111.4L172 G176L172-D174 PolarHBondContact O-N 2.84Å; D174-G176 PolarHBondContact O-N 3.19Å
175S34.2Very low56.6Low105 Ų10589.8 Ų89.873%0.73450%0.499SS*.SBendtrans-75.188.8172.745.40000109K173K173-S175 PolarHBondContact O-N 3.24Å
176G41.5Very low58.9Low38 Ų3887.5 Ų87.539%0.39248%0.482SS..  trans90.672163.700000115.9D174 P178D174-G176 PolarHBondContact O-N 3.19Å; G176-P178 WeakPolarHBondContact O-CD 3.42Å
177R53.8Low60.6Low129 Ų12987.9 Ų87.949%0.48749%0.485SS..  trans-107.479.9162.2-73.9-165.8-175.6-153.73111.4D179R177-D179 PolarHBondContact O-N 2.95Å
178P57.8Low61.8Low95 Ų9582.3 Ų82.362%0.61746%0.461SS*.THydrogen-bonded Turntrans-73.130.6-177.932.6-39000114.5G176G176-P178 WeakPolarHBondContact O-CD 3.42Å
179D81.7Confident63Low47 Ų4780.8 Ų80.825%0.25147%0.466SS..THydrogen-bonded Turntrans-139.111.2-170.3-169.540.6000113.7R177 P199 H200 R201R177-D179 PolarHBondContact O-N 2.95Å; D179-P199 CarbonylContact O-C 3.55Å; D179-P199 WeakPolarHBondContact O-CA 3.26Å; D179-H200 PolarHBondContact O-N 3.28Å; D179-R201 IonicContact OD2-CZ 3.69Å; D179-R201 IonicContact OD2-NH1 3.93Å; D179-R201 PolarHBondContact OD2-NH1 3.25Å
180L91.9Very high64.1Low29 Ų2980.9 Ų80.915%0.15247%0.467CS..EExtended strand (participates in β ladder)trans-78.8129.3175.7-70-177.7000110.9A86 I183 R197 P199A86-L180 HydrophobicContact CB-CB 3.64Å; L180-I183 HydrophobicContact CD1-CD1 4.48Å; L180-R197 HydrophobicContact CD1-CB 4.3Å; L180-R197 HydrophobicContact CD1-CG 4.42Å; L180-R197 HydrophobicContact CD2-CB 4Å; L180-P199 HydrophobicContact CD2-CB 4.47Å; L180-P199 HydrophobicContact CD2-CG 3.96Å
181A93.7Very high65.5Low0 Ų078 Ų780%046%0.458CS..EExtended strand (participates in β ladder)trans-84.9-52.8172.600000110.2L6 L81 A86 Y87 V198 I203L6-A181 HydrophobicContact CD1-CB 3.93Å; L6-A181 HydrophobicContact CG-CB 4.5Å; L81-A181 WeakPolarHBondContact CD2-O 3.49Å; A86-A181 WeakPolarHBondContact CA-O 3.32Å; Y87-A181 WeakPolarHBondContact CD1-O 3.45Å; Y87-A181 PolarHBondContact N-O 3.2Å; Y87-A181 VanDerWaalsContact N-O 3.16Å; A181-V198 PolarHBondContact N-O 3.04Å; A181-I203 HydrophobicContact CB-CG2 4.14Å
182Y95.3Very high66.8Low40 Ų4077.3 Ų77.316%0.15745%0.454CS..EExtended strand (participates in β ladder)trans-153.2160.8-178.157-99.6000112.8Y87 L184 V198 I203Y87-Y182 VanDerWaalsContact CE1-CB 3.41Å; Y87-Y182 HydrophobicContact CE1-CD1 4.05Å; Y87-Y182 HydrophobicContact CE1-CG 4.07Å; Y87-Y182 WeakPolarHBondContact O-CA 3.35Å; Y87-Y182 WeakPolarHBondContact O-CB 3.34Å; Y182-L184 HydrophobicContact CD2-CD1 4.02Å; Y182-L184 HydrophobicContact CD2-CD2 4.26Å; Y182-L184 HydrophobicContact CD2-CG 3.7Å; Y182-L184 HydrophobicContact CE2-CD1 3.64Å; Y182-L184 HydrophobicContact CE2-CG 3.86Å; Y182-V198 HydrophobicContact CD2-CB 3.86Å; Y182-V198 HydrophobicContact CD2-CG2 3.92Å; Y182-V198 HydrophobicContact CE1-CB 4.23Å; Y182-V198 HydrophobicContact CE1-CG1 4.08Å; Y182-V198 HydrophobicContact CE2-CB 3.55Å; Y182-V198 HydrophobicContact CE2-CG1 4.06Å; Y182-V198 HydrophobicContact CE2-CG2 3.36Å; Y182-V198 HydrophobicContact CG-CB 4.36Å; Y182-V198 PolarHBondContact N-O 3.32Å; Y182-V198 PolarHBondContact O-N 3.03Å; Y182-I203 HydrophobicContact CE1-CB 4.43Å; Y182-I203 HydrophobicContact CE1-CG1 4.18Å; Y182-I203 HydrophobicContact CE1-CG2 4.47Å
183I94.9Very high68.4Low5 Ų573.3 Ų73.33%0.02644%0.435CS..EExtended strand (participates in β ladder)trans-122.8123173.7-46.5179.3000108.3A62 A86 Y87 V88 P89 C106 L180 T195 V196 R197A62-I183 HydrophobicContact CB-CD1 3.84Å; A86-I183 HydrophobicContact CB-CG1 4.26Å; Y87-I183 PolarHBondContact O-N 3.21Å; Y87-I183 VanDerWaalsContact O-N 3.11Å; V88-I183 HydrophobicContact CG2-CB 3.84Å; V88-I183 HydrophobicContact CG2-CD1 4.06Å; V88-I183 HydrophobicContact CG2-CG1 4.08Å; P89-I183 WeakPolarHBondContact CD-O 3.26Å; C106-I183 HydrophobicContact CB-CD1 4.45Å; L180-I183 HydrophobicContact CD1-CD1 4.48Å; I183-T195 HydrophobicContact CG2-CG2 3.21Å; I183-V196 CarbonylContact C-O 3.44Å; I183-V196 VanDerWaalsContact CA-O 3.31Å; I183-V196 WeakPolarHBondContact CA-O 3.31Å; I183-R197 HydrophobicContact CD1-CG 4.21Å; I183-R197 HydrophobicContact CG1-CG 4.13Å; I183-R197 HydrophobicContact CG2-CG 3.93Å
184L92.3Very high70.7Confident65 Ų6570.2 Ų70.234%0.3442%0.422SS..EExtended strand (participates in β ladder)trans-111.5152.7177.5-63.4178000111P89 Y182 V196P89-L184 HydrophobicContact CG-CD2 3.45Å; P89-L184 VanDerWaalsContact CG-CD2 3.45Å; Y182-L184 HydrophobicContact CD2-CD1 4.02Å; Y182-L184 HydrophobicContact CD2-CD2 4.26Å; Y182-L184 HydrophobicContact CD2-CG 3.7Å; Y182-L184 HydrophobicContact CE2-CD1 3.64Å; Y182-L184 HydrophobicContact CE2-CG 3.86Å; L184-V196 PolarHBondContact N-O 3.41Å; L184-V196 PolarHBondContact O-N 2.99Å
185H86.3Confident72.8Confident48 Ų4867.7 Ų67.722%0.22241%0.409CS..EExtended strand (participates in β ladder)trans-110.7134.8168.9-78.5-110.9000110.4V102 Q105 C106 K194 T195V102-H185 VanDerWaalsContact CG1-CD2 3.49Å; V102-H185 WeakPolarHBondContact CG1-CD2 3.37Å; V102-H185 HydrophobicContact CG2-CB 4.11Å; Q105-H185 PolarHBondContact OE1-CE1 3.39Å; Q105-H185 PolarHBondContact OE1-ND1 2.95Å; C106-H185 PolarHBondContact SG-NE2 3.15Å; H185-K194 WeakPolarHBondContact CA-O 3.47Å; H185-T195 PolarHBondContact CE1-OG1 3.04Å; H185-T195 PolarHBondContact NE2-OG1 3.41Å
186T82.9Confident75.6Confident64 Ų6465.7 Ų65.739%0.39339%0.393SS..EExtended strand (participates in β ladder)trans-117.3133.7176.962.10000109.5G188 P193 K194 V196T186-G188 VanDerWaalsContact C-N 3.34Å; T186-G188 PolarHBondContact O-N 2.96Å; T186-P193 CarbonylContact O-C 3.54Å; T186-P193 WeakPolarHBondContact O-CA 3.24Å; T186-K194 PolarHBondContact N-O 3.31Å; T186-K194 PolarHBondContact O-N 3.14Å; T186-V196 HydrophobicContact CG2-CG2 4.27Å
187S72.2Confident78.1Confident110 Ų11068.6 Ų68.677%0.76939%0.392SS*.  trans-6592.416745.60000108.7T189S187-T189 PolarHBondContact O-N 3.24Å
188G60.6Low80Confident22 Ų2263.5 Ų63.523%0.22738%0.375CS..  trans-58.8135.5176.300000110.1T186 T190T186-G188 VanDerWaalsContact C-N 3.34Å; T186-G188 PolarHBondContact O-N 2.96Å; G188-T190 PolarHBondContact O-N 2.8Å
189T57.9Low81.7Confident145 Ų14559.6 Ų59.689%0.8935%0.35SS*.THydrogen-bonded Turntrans-70.4-12.1179.452.30000113.7S187S187-T189 PolarHBondContact O-N 3.24Å
190T63.8Low82.3Confident129 Ų12957.7 Ų57.779%0.79134%0.339SS*.THydrogen-bonded Turntrans-13113.3-170.7410000113.6G188G188-T190 PolarHBondContact O-N 2.8Å
191G63.8Low82.3Confident43 Ų4363.2 Ų63.244%0.44336%0.358SS..SBendtrans173.6-169.2-177.500000114.6
192P62.6Low82.2Confident103 Ų10366.9 Ų66.967%0.66938%0.383SS*.SBendtrans-58.5153.8178.624.9-33.6000111.7K194P192-K194 PolarHBondContact O-N 3.25Å
193P70.8Confident82.1Confident39 Ų3966.3 Ų66.325%0.25338%0.382SS..PPolyproline II helixtrans-52.8136178.8-26.233.9000112.3L98 T186L98-P193 HydrophobicContact CD1-CG 3.99Å; T186-P193 CarbonylContact O-C 3.54Å; T186-P193 WeakPolarHBondContact O-CA 3.24Å
194K82.9Confident82.1Confident128 Ų12866.4 Ų66.456%0.55738%0.383SS*.EExtended strand (participates in β ladder)trans-95.4136.1179.9-63.4-179.5-178.5178.80110.1H185 T186 P192H185-K194 WeakPolarHBondContact CA-O 3.47Å; T186-K194 PolarHBondContact N-O 3.31Å; T186-K194 PolarHBondContact O-N 3.14Å; P192-K194 PolarHBondContact O-N 3.25Å
195T88.3Confident82.1Confident37 Ų3766.8 Ų66.823%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-87.3118.9171.5-53.10000110.3I183 H185 R197I183-T195 HydrophobicContact CG2-CG2 3.21Å; H185-T195 PolarHBondContact CE1-OG1 3.04Å; H185-T195 PolarHBondContact NE2-OG1 3.41Å; T195-R197 HydrophobicContact CG2-CG 4.42Å; T195-R197 VanDerWaalsContact CG2-NH1 3.3Å
196V92.4Very high82.4Confident63 Ų6368.5 Ų68.538%0.38240%0.4SS..EExtended strand (participates in β ladder)trans-106.2111177.4-176.30000108.8I183 L184 T186 V198I183-V196 CarbonylContact C-O 3.44Å; I183-V196 VanDerWaalsContact CA-O 3.31Å; I183-V196 WeakPolarHBondContact CA-O 3.31Å; L184-V196 PolarHBondContact N-O 3.41Å; L184-V196 PolarHBondContact O-N 2.99Å; T186-V196 HydrophobicContact CG2-CG2 4.27Å; V196-V198 HydrophobicContact CG1-CG2 3.95Å
197R93.5Very high82.8Confident100 Ų10068.6 Ų68.638%0.37740%0.398SS..EExtended strand (participates in β ladder)trans-93.9119.1176.8-66.9172.7170.171.13.7109.3Q105 L180 I183 T195 P199Q105-R197 PolarHBondContact O-NH2 3.05Å; L180-R197 HydrophobicContact CD1-CB 4.3Å; L180-R197 HydrophobicContact CD1-CG 4.42Å; L180-R197 HydrophobicContact CD2-CB 4Å; I183-R197 HydrophobicContact CD1-CG 4.21Å; I183-R197 HydrophobicContact CG1-CG 4.13Å; I183-R197 HydrophobicContact CG2-CG 3.93Å; T195-R197 HydrophobicContact CG2-CG 4.42Å; T195-R197 VanDerWaalsContact CG2-NH1 3.3Å; R197-P199 WeakPolarHBondContact O-CD 3.4Å
198V94Very high83.7Confident22 Ų2266.2 Ų66.213%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-112111.7-175.4-176.20000111A181 Y182 V196 C202 I203A181-V198 PolarHBondContact N-O 3.04Å; Y182-V198 HydrophobicContact CD2-CB 3.86Å; Y182-V198 HydrophobicContact CD2-CG2 3.92Å; Y182-V198 HydrophobicContact CE1-CB 4.23Å; Y182-V198 HydrophobicContact CE1-CG1 4.08Å; Y182-V198 HydrophobicContact CE2-CB 3.55Å; Y182-V198 HydrophobicContact CE2-CG1 4.06Å; Y182-V198 HydrophobicContact CE2-CG2 3.36Å; Y182-V198 HydrophobicContact CG-CB 4.36Å; Y182-V198 PolarHBondContact N-O 3.32Å; Y182-V198 PolarHBondContact O-N 3.03Å; V196-V198 HydrophobicContact CG1-CG2 3.95Å; V198-C202 HydrophobicContact CG1-CB 4.3Å; V198-I203 HydrophobicContact CG1-CB 4.24Å
199P93.8Very high85.1Confident13 Ų1370.7 Ų70.78%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-69.9152.3171.8-21.433.8000114.1D179 L180 R197 R201 C202 I203D179-P199 CarbonylContact O-C 3.55Å; D179-P199 WeakPolarHBondContact O-CA 3.26Å; L180-P199 HydrophobicContact CD2-CB 4.47Å; L180-P199 HydrophobicContact CD2-CG 3.96Å; R197-P199 WeakPolarHBondContact O-CD 3.4Å; P199-R201 VanDerWaalsContact C-N 3.26Å; P199-R201 HydrophobicContact CB-CG 3.68Å; P199-R201 PolarHBondContact O-N 3.06Å; P199-C202 WeakPolarHBondContact O-CB 3.5Å; P199-C202 PolarHBondContact O-N 3.44Å; P199-I203 PolarHBondContact O-N 2.98Å
200H93.9Very high86.5Confident7 Ų768.4 Ų68.43%0.03237%0.372CS..Hα-helixtrans-55.1-42.4172.6-74.7-75.1000111.9R4 L6 Q7 D179 C202 I203 V204R4-H200 WeakPolarHBondContact O-CB 3.19Å; L6-H200 PolarHBondContact N-CE1 2.97Å; L6-H200 PolarHBondContact N-ND1 3.29Å; L6-H200 VanDerWaalsContact N-ND1 3.11Å; Q7-H200 PolarHBondContact OE1-CE1 3.43Å; D179-H200 PolarHBondContact O-N 3.28Å; H200-C202 PolarHBondContact O-N 3.39Å; H200-I203 PolarHBondContact O-N 2.99Å; H200-I203 VanDerWaalsContact O-N 3.11Å; H200-V204 HydrophobicContact CB-CG2 4.33Å; H200-V204 WeakPolarHBondContact O-CB 3.37Å; H200-V204 WeakPolarHBondContact O-CG2 3.47Å; H200-V204 PolarHBondContact O-N 3.14Å
201R92.5Very high87.6Confident144 Ų14469.5 Ų69.554%0.54336%0.362SS..Hα-helixtrans-55.9-21.3176.164.2173.7-177.6-85.64.5114.9D179 P199 P205D179-R201 IonicContact OD2-CZ 3.69Å; D179-R201 IonicContact OD2-NH1 3.93Å; D179-R201 PolarHBondContact OD2-NH1 3.25Å; P199-R201 VanDerWaalsContact C-N 3.26Å; P199-R201 HydrophobicContact CB-CG 3.68Å; P199-R201 PolarHBondContact O-N 3.06Å; R201-P205 VanDerWaalsContact O-CD 3.29Å; R201-P205 WeakPolarHBondContact O-CD 3.44Å; R201-P205 WeakPolarHBondContact O-CG 3.26Å
202C92Very high88.6Confident77 Ų7770.5 Ų70.552%0.5236%0.362SS..Hα-helixtrans-87.5-42.7176.6-64.50000111.8V198 P199 H200V198-C202 HydrophobicContact CG1-CB 4.3Å; P199-C202 WeakPolarHBondContact O-CB 3.5Å; P199-C202 PolarHBondContact O-N 3.44Å; H200-C202 PolarHBondContact O-N 3.39Å
203I93.6Very high89.5Confident28 Ų2868.1 Ų68.114%0.14435%0.346CS..Hα-helixtrans-86.6-34.1-172.9-172.163.1000113.3L6 A181 Y182 V198 P199 H200 N206 I207L6-I203 HydrophobicContact CD1-CG2 4.18Å; L6-I203 HydrophobicContact CD2-CG1 4.26Å; L6-I203 HydrophobicContact CD2-CG2 3.85Å; L6-I203 HydrophobicContact CG-CG2 4.07Å; A181-I203 HydrophobicContact CB-CG2 4.14Å; Y182-I203 HydrophobicContact CE1-CB 4.43Å; Y182-I203 HydrophobicContact CE1-CG1 4.18Å; Y182-I203 HydrophobicContact CE1-CG2 4.47Å; V198-I203 HydrophobicContact CG1-CB 4.24Å; P199-I203 PolarHBondContact O-N 2.98Å; H200-I203 PolarHBondContact O-N 2.99Å; H200-I203 VanDerWaalsContact O-N 3.11Å; I203-N206 HydrophobicContact CD1-CB 4.49Å; I203-N206 WeakPolarHBondContact O-CB 3.37Å; I203-N206 PolarHBondContact O-N 2.99Å; I203-N206 VanDerWaalsContact O-N 3.13Å; I203-I207 HydrophobicContact CD1-CG1 4.48Å; I203-I207 HydrophobicContact CG1-CD1 4.05Å; I203-I207 HydrophobicContact CG1-CG1 4.29Å; I203-I207 PolarHBondContact O-N 2.86Å
204V94Very high89.5Confident7 Ų773.4 Ų73.44%0.04236%0.361CS..Hα-helixtrans-60.6-47.6-177.2166.10000112.5L6 L9 H200 N206 I207 L208L6-V204 HydrophobicContact CD2-CG2 4.19Å; L9-V204 HydrophobicContact CD1-CG1 4.2Å; L9-V204 HydrophobicContact CD1-CG2 4.26Å; H200-V204 HydrophobicContact CB-CG2 4.33Å; H200-V204 WeakPolarHBondContact O-CB 3.37Å; H200-V204 WeakPolarHBondContact O-CG2 3.47Å; H200-V204 PolarHBondContact O-N 3.14Å; V204-N206 PolarHBondContact O-N 3.12Å; V204-I207 PolarHBondContact O-N 3.19Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 WeakPolarHBondContact O-CG 3.35Å; V204-L208 PolarHBondContact O-N 2.85Å
205P93.1Very high88.8Confident74 Ų7471.7 Ų71.748%0.48136%0.357SS..Hα-helixtrans-61.3-33.8175.6-23.935.1000113.1R201 L208 H209R201-P205 VanDerWaalsContact O-CD 3.29Å; R201-P205 WeakPolarHBondContact O-CD 3.44Å; R201-P205 WeakPolarHBondContact O-CG 3.26Å; P205-L208 PolarHBondContact O-N 3.24Å; P205-H209 VanDerWaalsContact O-CB 3.31Å; P205-H209 WeakPolarHBondContact O-CB 3.47Å; P205-H209 PolarHBondContact O-N 2.67Å
206N92.3Very high87Confident83 Ų8375.5 Ų75.544%0.44437%0.371SS..Hα-helixtrans-65.6-46.9177.9-173.7-88.1000111.3I203 V204 L208 H209 L210I203-N206 HydrophobicContact CD1-CB 4.49Å; I203-N206 WeakPolarHBondContact O-CB 3.37Å; I203-N206 PolarHBondContact O-N 2.99Å; I203-N206 VanDerWaalsContact O-N 3.13Å; V204-N206 PolarHBondContact O-N 3.12Å; N206-L208 PolarHBondContact O-N 2.76Å; N206-H209 PolarHBondContact O-N 2.97Å; N206-L210 WeakPolarHBondContact O-CG 3.45Å; N206-L210 PolarHBondContact O-N 3.05Å; N206-L210 WeakPolarHBondContact OD1-CD1 3.45Å
207I91.6Very high84.9Confident66 Ų6678.2 Ų78.234%0.33838%0.377SS..Hα-helixtrans-61.1-44.5175.9-66.7174.9000111.2L6 L9 I203 V204 H209 L210 R211L6-I207 HydrophobicContact CD2-CD1 3.24Å; L9-I207 HydrophobicContact CD1-CB 4.32Å; L9-I207 HydrophobicContact CD1-CD1 4.43Å; L9-I207 HydrophobicContact CD1-CG2 4.02Å; I203-I207 HydrophobicContact CD1-CG1 4.48Å; I203-I207 HydrophobicContact CG1-CD1 4.05Å; I203-I207 HydrophobicContact CG1-CG1 4.29Å; I203-I207 PolarHBondContact O-N 2.86Å; V204-I207 PolarHBondContact O-N 3.19Å; I207-H209 VanDerWaalsContact C-N 3.32Å; I207-H209 PolarHBondContact O-N 3.35Å; I207-L210 PolarHBondContact O-N 2.61Å; I207-R211 WeakPolarHBondContact O-CB 3.29Å; I207-R211 PolarHBondContact O-N 2.69Å
208L91.1Very high83.1Confident60 Ų6076 Ų7631%0.31437%0.373SS..Hα-helixtrans-62.4-40.7177.8-71.2174.8000112L9 V204 P205 N206 R211 S212L9-L208 HydrophobicContact CD2-CD2 3.7Å; L9-L208 HydrophobicContact CD2-CG 4.26Å; V204-L208 HydrophobicContact CG1-CD1 4.05Å; V204-L208 WeakPolarHBondContact O-CG 3.35Å; V204-L208 PolarHBondContact O-N 2.85Å; P205-L208 PolarHBondContact O-N 3.24Å; N206-L208 PolarHBondContact O-N 2.76Å; L208-R211 PolarHBondContact O-N 3.25Å; L208-S212 PolarHBondContact O-N 3.46Å; L208-S212 VanDerWaalsContact O-N 3.08Å
209H89Confident81.2Confident116 Ų11676.9 Ų76.954%0.53738%0.377SS..Hα-helixtrans-63.5-49.8174.7-18066.4000111.4P205 N206 I207 R211 S212 V213P205-H209 VanDerWaalsContact O-CB 3.31Å; P205-H209 WeakPolarHBondContact O-CB 3.47Å; P205-H209 PolarHBondContact O-N 2.67Å; N206-H209 PolarHBondContact O-N 2.97Å; I207-H209 VanDerWaalsContact C-N 3.32Å; I207-H209 PolarHBondContact O-N 3.35Å; H209-R211 VanDerWaalsContact C-N 3.3Å; H209-R211 PolarHBondContact O-N 3.48Å; H209-S212 WeakPolarHBondContact O-CB 3.5Å; H209-S212 PolarHBondContact O-N 2.94Å; H209-S212 PolarHBondContact O-OG 2.97Å; H209-V213 PolarHBondContact O-N 3.31Å
210L88.4Confident79.2Confident97 Ų9782.8 Ų82.851%0.50840%0.403SS..Hα-helixtrans-57.8-42.1177.4-72.4173.6000112N206 I207 S212 V213 W214N206-L210 WeakPolarHBondContact O-CG 3.45Å; N206-L210 PolarHBondContact O-N 3.05Å; N206-L210 WeakPolarHBondContact OD1-CD1 3.45Å; I207-L210 PolarHBondContact O-N 2.61Å; L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.28Å; L210-V213 PolarHBondContact O-N 3.43Å; L210-W214 PolarHBondContact O-N 3.25Å
211R85.9Confident77Confident153 Ų15393.4 Ų93.458%0.57744%0.443SS*.Hα-helixtrans-58.5-43174.1-169.5-178.675.11714.3111.6I207 L208 H209 W214 L215I207-R211 WeakPolarHBondContact O-CB 3.29Å; I207-R211 PolarHBondContact O-N 2.69Å; L208-R211 PolarHBondContact O-N 3.25Å; H209-R211 VanDerWaalsContact C-N 3.3Å; H209-R211 PolarHBondContact O-N 3.48Å; R211-W214 PolarHBondContact O-N 3.18Å; R211-L215 HydrophobicContact CG-CD1 3.72Å; R211-L215 WeakPolarHBondContact O-CD1 3.48Å; R211-L215 PolarHBondContact O-N 2.77Å
212S84.9Confident75.1Confident64 Ų6489.8 Ų89.845%0.44844%0.44SS..Hα-helixtrans-65.2-39.4179.5750000113L208 H209 L210 F216L208-S212 PolarHBondContact O-N 3.46Å; L208-S212 VanDerWaalsContact O-N 3.08Å; H209-S212 WeakPolarHBondContact O-CB 3.5Å; H209-S212 PolarHBondContact O-N 2.94Å; H209-S212 PolarHBondContact O-OG 2.97Å; L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.28Å; S212-F216 WeakPolarHBondContact O-CB 3.4Å; S212-F216 PolarHBondContact O-N 2.77Å
213V80.7Confident72.8Confident52 Ų5289.6 Ų89.632%0.31545%0.451SS..Hα-helixtrans-64.7-44.7176.8173.70000110.3H209 L210 F216 F217H209-V213 PolarHBondContact O-N 3.31Å; L210-V213 PolarHBondContact O-N 3.43Å; V213-F216 WeakPolarHBondContact O-CB 3.27Å; V213-F216 PolarHBondContact O-N 3.32Å; V213-F217 HydrophobicContact CG1-CD2 3.79Å; V213-F217 HydrophobicContact CG1-CE2 3.7Å; V213-F217 VanDerWaalsContact O-CD2 3.26Å; V213-F217 WeakPolarHBondContact O-CD2 3.27Å; V213-F217 PolarHBondContact O-N 2.93Å
214W70.7Confident70.4Confident151 Ų15191.8 Ų91.857%0.57247%0.468SS*.Hα-helixtrans-68.4-39-179.8-117.483.6000113.1L210 R211 F216 F217 L218 F238L210-W214 PolarHBondContact O-N 3.25Å; R211-W214 PolarHBondContact O-N 3.18Å; W214-F216 VanDerWaalsContact C-N 3.31Å; W214-F216 PolarHBondContact O-N 2.85Å; W214-F217 PolarHBondContact O-N 2.89Å; W214-L218 HydrophobicContact CE3-CD1 3.8Å; W214-L218 HydrophobicContact CE3-CD2 4.34Å; W214-L218 HydrophobicContact CE3-CG 3.9Å; W214-L218 HydrophobicContact CZ3-CD1 4.09Å; W214-L218 HydrophobicContact CZ3-CD2 4.01Å; W214-L218 HydrophobicContact CZ3-CG 4.09Å; W214-L218 WeakPolarHBondContact O-CG 3.44Å; W214-L218 PolarHBondContact O-N 2.8Å; W214-F238 HydrophobicContact CH2-CZ 4.27Å; W214-F238 HydrophobicContact CZ3-CZ 4.13Å
215L68.1Low67.9Low91 Ų9199.1 Ų99.148%0.47650%0.502SS..Hα-helixtrans-61-41.3171.4-96.6100.9000111.7R211 F217 L218 L219R211-L215 HydrophobicContact CG-CD1 3.72Å; R211-L215 WeakPolarHBondContact O-CD1 3.48Å; R211-L215 PolarHBondContact O-N 2.77Å; L215-F217 PolarHBondContact O-N 3.35Å; L215-L218 PolarHBondContact O-N 2.92Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.37Å
216F50.4Low65.6Low117 Ų117102.3 Ų102.351%0.51351%0.513SS..Hα-helixtrans-60.2-44.7176.2179.8-95.1000111.9S212 V213 W214 L219 Q220S212-F216 WeakPolarHBondContact O-CB 3.4Å; S212-F216 PolarHBondContact O-N 2.77Å; V213-F216 WeakPolarHBondContact O-CB 3.27Å; V213-F216 PolarHBondContact O-N 3.32Å; W214-F216 VanDerWaalsContact C-N 3.31Å; W214-F216 PolarHBondContact O-N 2.85Å; F216-L219 PolarHBondContact O-N 3.16Å; F216-Q220 HydrophobicContact CD1-CG 4.36Å; F216-Q220 HydrophobicContact CE1-CG 3.98Å; F216-Q220 HydrophobicContact CZ-CG 4.12Å; F216-Q220 WeakPolarHBondContact O-CG 3.35Å; F216-Q220 PolarHBondContact O-N 3.25Å
217F50.1Low62.8Low120 Ų120108.1 Ų108.153%0.52653%0.529SS..Hα-helixtrans-66.3-38.5176.9-84.6-68.9000113.5V213 W214 L215 Q220 R221V213-F217 HydrophobicContact CG1-CD2 3.79Å; V213-F217 HydrophobicContact CG1-CE2 3.7Å; V213-F217 VanDerWaalsContact O-CD2 3.26Å; V213-F217 WeakPolarHBondContact O-CD2 3.27Å; V213-F217 PolarHBondContact O-N 2.93Å; W214-F217 PolarHBondContact O-N 2.89Å; L215-F217 PolarHBondContact O-N 3.35Å; F217-Q220 PolarHBondContact O-N 3.41Å; F217-R221 PolarHBondContact O-N 2.89Å
218L55.5Low60.2Low54 Ų54110.1 Ų110.128%0.28355%0.549SS..Hα-helixtrans-63.3-43.4174.4-75.1173.1000111.1W214 L215 Q220 R221 S222 L236W214-L218 HydrophobicContact CE3-CD1 3.8Å; W214-L218 HydrophobicContact CE3-CD2 4.34Å; W214-L218 HydrophobicContact CE3-CG 3.9Å; W214-L218 HydrophobicContact CZ3-CD1 4.09Å; W214-L218 HydrophobicContact CZ3-CD2 4.01Å; W214-L218 HydrophobicContact CZ3-CG 4.09Å; W214-L218 WeakPolarHBondContact O-CG 3.44Å; W214-L218 PolarHBondContact O-N 2.8Å; L215-L218 PolarHBondContact O-N 2.92Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.41Å; L218-R221 PolarHBondContact O-N 3.31Å; L218-R221 VanDerWaalsContact O-N 3.16Å; L218-S222 WeakPolarHBondContact O-CB 3.42Å; L218-S222 PolarHBondContact O-N 3.42Å; L218-S222 PolarHBondContact O-OG 2.9Å; L218-L236 HydrophobicContact CD2-CD2 4.11Å
219L53.3Low57.9Low41 Ų41111.1 Ų111.122%0.21557%0.574CS.*Hα-helixtrans-63.4-37.9177.2-68.8171.4000113L215 F216 G223 C224 F231L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.4Å; L215-L219 PolarHBondContact O-N 3.37Å; F216-L219 PolarHBondContact O-N 3.16Å; L219-G223 PolarHBondContact O-N 3.06Å; L219-C224 HydrophobicContact CD2-CB 4.46Å; L219-F231 HydrophobicContact CD1-CZ 3.95Å; L219-F231 HydrophobicContact CD2-CE1 3.44Å; L219-F231 VanDerWaalsContact CD2-CE1 3.44Å; L219-F231 HydrophobicContact CD2-CZ 3.34Å; L219-F231 HydrophobicContact CG-CZ 4.28Å
220Q51.1Low55.1Low137 Ų137113.2 Ų113.264%0.6459%0.588SS**Hα-helixtrans-67.2-34174.3-70-124.7-49.700112.9F216 F217 L218F216-Q220 HydrophobicContact CD1-CG 4.36Å; F216-Q220 HydrophobicContact CE1-CG 3.98Å; F216-Q220 HydrophobicContact CZ-CG 4.12Å; F216-Q220 WeakPolarHBondContact O-CG 3.35Å; F216-Q220 PolarHBondContact O-N 3.25Å; F217-Q220 PolarHBondContact O-N 3.41Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.41Å
221R49Very low52.8Low229 Ų229114.8 Ų114.886%0.86459%0.591SS**Hα-helixtrans-78.6-30.6176.8-84.4-174.1152.7180-5.7113.7F217 L218 G223F217-R221 PolarHBondContact O-N 2.89Å; L218-R221 PolarHBondContact O-N 3.31Å; L218-R221 VanDerWaalsContact O-N 3.16Å; R221-G223 VanDerWaalsContact C-N 3.33Å
222S51.4Low50.4Low68 Ų68115.1 Ų115.148%0.47660%0.603SS.*THydrogen-bonded Turntrans-83.3-3.3-179.5-57.20000114.1L218 C224L218-S222 WeakPolarHBondContact O-CB 3.42Å; L218-S222 PolarHBondContact O-N 3.42Å; L218-S222 PolarHBondContact O-OG 2.9Å; S222-C224 PolarHBondContact O-N 3.43Å; S222-C224 VanDerWaalsContact O-N 3.15Å
223G44Very low48Very low73 Ų73115.5 Ų115.575%0.75361%0.605SS**THydrogen-bonded Turntrans60.722.3-178.800000114L219 R221L219-G223 PolarHBondContact O-N 3.06Å; R221-G223 VanDerWaalsContact C-N 3.33Å
224C43.5Very low45.9Very low74 Ų74117 Ų11750%0.562%0.617SS.*  trans-92111.3-172.8-137.70000110L219 S222L219-C224 HydrophobicContact CD2-CB 4.46Å; S222-C224 PolarHBondContact O-N 3.43Å; S222-C224 VanDerWaalsContact O-N 3.15Å
225E41Very low44.2Very low162 Ų162116.5 Ų116.576%0.75763%0.626SS**  trans-68.7134.1175.8-117.6-177.7179.500110.9R227E225-R227 PolarHBondContact O-N 3.15Å
226I44.9Very low42.6Very low140 Ų140116.5 Ų116.572%0.71863%0.626SS**  trans-70.694.1175.7-56171000108.5
227R33.5Very low41.7Very low206 Ų206116.9 Ų116.978%0.77764%0.642SS**  trans-110.8110160.7-79.8-171.4178-156.5-0.5110.3E225E225-R227 PolarHBondContact O-N 3.15Å
228S38.5Very low40.8Very low108 Ų108119.1 Ų119.176%0.75565%0.652SS**SBendtrans55.97615847.30000117.3L230S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 2.98Å
229G42Very low39.5Very low81 Ų81131.3 Ų131.384%0.83569%0.694SS**SBendtrans66.30.3134.100000120.9
230L31.2Very low38.9Very low159 Ų159135.8 Ų135.883%0.83272%0.718SS**  trans-137.5120.4170.6-85.5107000110.3S228S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 2.98Å
231F40.2Very low38.2Very low131 Ų131135.7 Ų135.758%0.57572%0.722SS**  trans-91.4109.8171.8-92.4-86000110.2L219 C233L219-F231 HydrophobicContact CD1-CZ 3.95Å; L219-F231 HydrophobicContact CD2-CE1 3.44Å; L219-F231 VanDerWaalsContact CD2-CE1 3.44Å; L219-F231 HydrophobicContact CD2-CZ 3.34Å; L219-F231 HydrophobicContact CG-CZ 4.28Å; F231-C233 HydrophobicContact CD1-CB 4.36Å
232L34.8Very low37.6Very low159 Ų159130.6 Ų130.683%0.83271%0.714SS**  trans-94.3102.7146.4-101.5111.5000106.6
233C35.3Very low36.8Very low72 Ų72134.2 Ų134.249%0.48673%0.728SS.*  trans-122.788167.2-149.50000107.1F231 D235F231-C233 HydrophobicContact CD1-CB 4.36Å; C233-D235 VanDerWaalsContact C-N 3.28Å
234S34.8Very low36.4Very low83 Ų83138.1 Ų138.158%0.5873%0.727SS**  trans-73.1-17.3-176.7-410000113.1
235D35.6Very low35.9Very low141 Ų141142.3 Ų142.375%0.75474%0.742SS**  trans-136.763.6-160.9-66.5-51.7000113.9C233C233-D235 VanDerWaalsContact C-N 3.28Å
236L34.8Very low35.5Very low92 Ų92140.9 Ų140.948%0.48274%0.741SS.*  trans-112.476.6152.9-90.4107.4000109.5L218 F238L218-L236 HydrophobicContact CD2-CD2 4.11Å; L236-F238 PolarHBondContact O-N 3.23Å
237C31Very low34.8Very low124 Ų124141 Ų14184%0.83874%0.742SS**  trans-61.7111.8153.1-101.70000108R239C237-R239 PolarHBondContact O-N 3.36Å
238F32Very low34.9Very low168 Ų168135.6 Ų135.674%0.73774%0.739SS**  trans-65.9110.4155.2-96.6-96.9000106.9W214 L236W214-F238 HydrophobicContact CH2-CZ 4.27Å; W214-F238 HydrophobicContact CZ3-CZ 4.13Å; L236-F238 PolarHBondContact O-N 3.23Å
239R28.7Very low34.6Very low309 Ų309138.1 Ų138.1100%1.16674%0.738SS**  trans-93.30154.8-93-171.4177.7-1670.6108.4C237C237-R239 PolarHBondContact O-N 3.36Å

Retrieved 239 of 239 residues in 534.9 ms (Link to these results)

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