A0A096NWH3_PAPAN Loading...

DUF3456 domain-containing protein

AlphaFold DB (A0A2K5M807), UniProt , Accession A0A096NWH3, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 163 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
1M36.3Very low60.8Low238 Ų23880.8 Ų80.8100%1.17243%0.429SS*.  0115.20-82.9166.9171.900106.1
2V42.3Very low62.9Low92 Ų9274.1 Ų74.156%0.55839%0.393SS*.PPolyproline II helixtrans-73.9128.5173.6-179.40000106.5T156V2-T156 HydrophobicContact CG1-CG2 3.61Å
3A51.6Low64.7Low62 Ų6268.9 Ų68.951%0.51237%0.368SS..PPolyproline II helixtrans-82.5117.517500000107.9S157A3-S157 VanDerWaalsContact O-CB 3.22Å; A3-S157 WeakPolarHBondContact O-CB 3.45Å; A3-S157 PolarHBondContact O-N 3.09Å; A3-S157 PolarHBondContact O-OG 3.41Å
4H61.7Low66.6Low26 Ų2664.1 Ų64.112%0.1234%0.343CS..EExtended strand (participates in β ladder)trans-91.8120.3170.7-64.2-85.1000108.2R16 D144 S148 E155 T156H4-R16 PolarHBondContact O-NH1 2.65Å; H4-D144 IonicContact CD2-OD1 3.73Å; H4-S148 PolarHBondContact ND1-OG 3.01Å; H4-S148 VanDerWaalsContact ND1-OG 3.13Å; H4-E155 WeakPolarHBondContact CA-O 3.34Å; H4-T156 PolarHBondContact CE1-OG1 2.91Å; H4-T156 VanDerWaalsContact CE1-OG1 3.27Å; H4-T156 WeakPolarHBondContact ND1-CA 3.12Å; H4-T156 PolarHBondContact ND1-OG1 3.48Å
5T63.2Low68.4Low54 Ų5459.8 Ų59.833%0.33132%0.32SS..EExtended strand (participates in β ladder)trans-97111.7-179.247.10000108.5E155T5-E155 PolarHBondContact N-O 3.37Å; T5-E155 PolarHBondContact O-N 2.8Å; T5-E155 PolarHBondContact OG1-O 3.01Å
6C66.6Low69.8Low12 Ų1261.4 Ų61.48%0.08132%0.32CS..EExtended strand (participates in β ladder)trans-105.1130.5177.2-56.70000108.5P8 C154C6-P8 VanDerWaalsContact O-CD 3.3Å; C6-P8 WeakPolarHBondContact O-CD 3.27Å; C6-C154 HydrophobicContact CB-CB 3.99Å; C6-C154 WeakPolarHBondContact CB-SG 3.43Å; C6-C154 WeakPolarHBondContact SG-CB 2.95Å; C6-C154 CovalentContact SG-SG 2.01Å; C6-C154 PolarHBondContact SG-SG 2.84Å
7N66.9Low71.1Confident86 Ų8657.9 Ų57.946%0.4630%0.302SS..  trans-67.2122.4172.5-176.9-25.6000109.3R9 T10 G13N7-R9 VanDerWaalsContact C-N 3.27Å; N7-R9 PolarHBondContact O-N 3.4Å; N7-R9 PolarHBondContact OD1-N 2.88Å; N7-T10 HydrophobicContact CB-CG2 3.89Å; N7-T10 WeakPolarHBondContact CB-OG1 2.98Å; N7-T10 PolarHBondContact O-N 2.96Å; N7-T10 PolarHBondContact O-OG1 3.19Å; N7-G13 PolarHBondContact O-N 3.13Å; N7-G13 VanDerWaalsContact O-N 3.07Å
8P59.9Low72.4Confident14 Ų1454.7 Ų54.79%0.09129%0.286CS..THydrogen-bonded Turntrans-78.8-8.5-173.135.3-43.8000113.8C6 L77 R86 F88C6-P8 VanDerWaalsContact O-CD 3.3Å; C6-P8 WeakPolarHBondContact O-CD 3.27Å; P8-L77 HydrophobicContact CB-CD1 3.7Å; P8-L77 HydrophobicContact CG-CD1 4.37Å; P8-R86 VanDerWaalsContact CB-C 3.41Å; P8-R86 HydrophobicContact CB-CB 4.02Å; P8-R86 WeakPolarHBondContact CB-O 3.39Å; P8-R86 WeakPolarHBondContact CD-O 3.24Å; P8-R86 VanDerWaalsContact CG-C 3.43Å; P8-R86 HydrophobicContact CG-CB 3.46Å; P8-R86 VanDerWaalsContact CG-CB 3.46Å; P8-R86 WeakPolarHBondContact CG-O 3.42Å; P8-F88 WeakPolarHBondContact O-CE2 3.34Å; P8-F88 WeakPolarHBondContact O-CZ 2.83Å
9R61.2Low73.6Confident182 Ų18251.8 Ų51.869%0.68727%0.271SS*.THydrogen-bonded Turntrans-97.7-1.1172.3-65.9-175.9-179.1-165.25.7112.3N7N7-R9 VanDerWaalsContact C-N 3.27Å; N7-R9 PolarHBondContact O-N 3.4Å; N7-R9 PolarHBondContact OD1-N 2.88Å
10T75.1Confident74.5Confident65 Ų6552.8 Ų52.840%0.39928%0.276SS..SBendtrans-114.8-178.7-178.770.30000110.6N7 G12 G13N7-T10 HydrophobicContact CB-CG2 3.89Å; N7-T10 WeakPolarHBondContact CB-OG1 2.98Å; N7-T10 PolarHBondContact O-N 2.96Å; N7-T10 PolarHBondContact O-OG1 3.19Å; T10-G12 PolarHBondContact O-N 2.8Å; T10-G12 PolarHBondContact OG1-N 3.39Å; T10-G13 PolarHBondContact O-N 2.74Å
11L84.1Confident75.4Confident58 Ų5850.4 Ų50.430%0.30426%0.263SS..Hα-helixtrans-55.6-28.2175.5-71.6159.6000113.1G13 A14 C15 A119 T122 I123 L153L11-G13 PolarHBondContact O-N 3.46Å; L11-A14 PolarHBondContact O-N 3.49Å; L11-C15 WeakPolarHBondContact O-CB 3.45Å; L11-C15 PolarHBondContact O-N 3.35Å; L11-A119 HydrophobicContact CD2-CB 4.04Å; L11-T122 HydrophobicContact CD2-CG2 4.49Å; L11-I123 HydrophobicContact CB-CD1 4.35Å; L11-I123 HydrophobicContact CD2-CD1 3.98Å; L11-I123 HydrophobicContact CD2-CG1 3.78Å; L11-I123 WeakPolarHBondContact O-CD1 3.22Å; L11-L153 HydrophobicContact CB-CD1 4.23Å; L11-L153 HydrophobicContact CB-CD2 3.7Å; L11-L153 HydrophobicContact CB-CG 4.49Å; L11-L153 HydrophobicContact CD1-CD2 4.3Å
12G85.9Confident78.2Confident0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-62.2-45.5178.800000113.6T10 A14 C15 R16 L153T10-G12 PolarHBondContact O-N 2.8Å; T10-G12 PolarHBondContact OG1-N 3.39Å; G12-A14 VanDerWaalsContact C-N 3.3Å; G12-A14 PolarHBondContact O-N 3.34Å; G12-C15 PolarHBondContact O-N 2.96Å; G12-R16 PolarHBondContact O-N 3.3Å; G12-R16 VanDerWaalsContact O-N 3.13Å; G12-L153 VanDerWaalsContact CA-O 3.29Å; G12-L153 WeakPolarHBondContact CA-O 3.28Å
13G86.6Confident80.6Confident7 Ų736.8 Ų36.87%0.07219%0.191CC..Hα-helixtrans-62.5-38.8174.700000112.7N7 T10 L11 A17N7-G13 PolarHBondContact O-N 3.13Å; N7-G13 VanDerWaalsContact O-N 3.07Å; T10-G13 PolarHBondContact O-N 2.74Å; L11-G13 PolarHBondContact O-N 3.46Å; G13-A17 PolarHBondContact O-N 2.81Å
14A90.5Very high82.5Confident1 Ų136.9 Ų36.91%0.00818%0.18CC..Hα-helixtrans-68.3-41.8177.100000112.1L11 G12 R16 A17 L18 L116 A119 I123L11-A14 PolarHBondContact O-N 3.49Å; G12-A14 VanDerWaalsContact C-N 3.3Å; G12-A14 PolarHBondContact O-N 3.34Å; A14-R16 VanDerWaalsContact C-N 3.31Å; A14-R16 PolarHBondContact O-N 2.92Å; A14-A17 PolarHBondContact O-N 3.15Å; A14-L18 WeakPolarHBondContact O-CB 3.35Å; A14-L18 PolarHBondContact O-N 3.38Å; A14-L116 HydrophobicContact CB-CD1 3.62Å; A14-A119 HydrophobicContact CB-CB 3.56Å; A14-I123 HydrophobicContact CB-CD1 3.84Å
15C93.7Very high83.9Confident0 Ų037.3 Ų37.30%018%0.184CC..Hα-helixtrans-58-45.5176.8-176.60000110.8L11 G12 A17 L18 M19 I123 C147 L153L11-C15 WeakPolarHBondContact O-CB 3.45Å; L11-C15 PolarHBondContact O-N 3.35Å; G12-C15 PolarHBondContact O-N 2.96Å; C15-A17 PolarHBondContact O-N 3.49Å; C15-L18 WeakPolarHBondContact O-CB 3.36Å; C15-L18 PolarHBondContact O-N 3.16Å; C15-M19 WeakPolarHBondContact O-CB 3.36Å; C15-M19 VanDerWaalsContact O-CG 3.31Å; C15-M19 WeakPolarHBondContact O-CG 3.24Å; C15-M19 PolarHBondContact O-N 3.45Å; C15-I123 HydrophobicContact CB-CD1 3.83Å; C15-C147 HydrophobicContact CB-CB 3.8Å; C15-C147 WeakPolarHBondContact CB-SG 3.15Å; C15-C147 PolarHBondContact O-SG 2.78Å; C15-C147 WeakPolarHBondContact SG-CA 3.47Å; C15-C147 WeakPolarHBondContact SG-CB 3.24Å; C15-C147 CovalentContact SG-SG 2.03Å; C15-C147 PolarHBondContact SG-SG 2.61Å; C15-L153 HydrophobicContact CB-CD1 3.87Å
16R91.5Very high85.3Confident85 Ų8534.8 Ų34.832%0.32117%0.168SC..Hα-helixtrans-63.5-44.9179.3-156.6171.9-158.3170.411.9112.1H4 G12 A14 L18 M19 D20 A143 D144H4-R16 PolarHBondContact O-NH1 2.65Å; G12-R16 PolarHBondContact O-N 3.3Å; G12-R16 VanDerWaalsContact O-N 3.13Å; A14-R16 VanDerWaalsContact C-N 3.31Å; A14-R16 PolarHBondContact O-N 2.92Å; R16-L18 PolarHBondContact O-N 3.31Å; R16-M19 PolarHBondContact O-N 3.46Å; R16-D20 WeakPolarHBondContact O-CB 3.21Å; R16-D20 VanDerWaalsContact O-CG 3.27Å; R16-D20 PolarHBondContact O-N 2.96Å; R16-A143 HydrophobicContact CG-CB 4.16Å; R16-D144 IonicContact NH2-OD1 3.15Å
17A91.8Very high86.4Confident3 Ų337.3 Ų37.33%0.02518%0.183CC..Hα-helixtrans-62.4-41.4176.300000112.5G13 A14 C15 E21 M72 Y75 F88G13-A17 PolarHBondContact O-N 2.81Å; A14-A17 PolarHBondContact O-N 3.15Å; C15-A17 PolarHBondContact O-N 3.49Å; A17-E21 PolarHBondContact O-N 3.16Å; A17-M72 HydrophobicContact CB-CE 4.42Å; A17-M72 HydrophobicContact CB-SD 3.94Å; A17-Y75 HydrophobicContact CB-CD1 3.77Å; A17-Y75 HydrophobicContact CB-CE1 3.67Å; A17-Y75 HydrophobicContact CB-CG 4.31Å; A17-F88 HydrophobicContact CB-CB 4.46Å
18L94.6Very high87.4Confident0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-59.7-54.3174.1165.260.6000111A14 C15 R16 D20 E21 V22 V68 I123 I124A14-L18 WeakPolarHBondContact O-CB 3.35Å; A14-L18 PolarHBondContact O-N 3.38Å; C15-L18 WeakPolarHBondContact O-CB 3.36Å; C15-L18 PolarHBondContact O-N 3.16Å; R16-L18 PolarHBondContact O-N 3.31Å; L18-D20 VanDerWaalsContact C-N 3.31Å; L18-D20 PolarHBondContact O-N 2.97Å; L18-E21 WeakPolarHBondContact O-CB 3.25Å; L18-E21 PolarHBondContact O-N 3.17Å; L18-E21 VanDerWaalsContact O-N 3.09Å; L18-V22 HydrophobicContact CD1-CG2 3.85Å; L18-V22 HydrophobicContact CG-CG2 4.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.24Å; L18-V22 PolarHBondContact O-N 3.23Å; L18-V68 HydrophobicContact CD1-CB 4.34Å; L18-V68 HydrophobicContact CD1-CG1 3.38Å; L18-V68 HydrophobicContact CD1-CG2 3.96Å; L18-I123 HydrophobicContact CD2-CB 4.1Å; L18-I123 HydrophobicContact CD2-CG2 3.67Å; L18-I124 HydrophobicContact CD1-CD1 3.89Å; L18-I124 HydrophobicContact CD1-CG1 4.1Å; L18-I124 HydrophobicContact CD2-CD1 4.42Å; L18-I124 HydrophobicContact CD2-CG1 3.74Å
19M94.6Very high88.7Confident0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-69-29.3-174-65.1-48.4-68.700112.9C15 R16 E21 V22 E23 I131 L142 A143 L146C15-M19 WeakPolarHBondContact O-CB 3.36Å; C15-M19 VanDerWaalsContact O-CG 3.31Å; C15-M19 WeakPolarHBondContact O-CG 3.24Å; C15-M19 PolarHBondContact O-N 3.45Å; R16-M19 PolarHBondContact O-N 3.46Å; M19-E21 VanDerWaalsContact C-N 3.34Å; M19-V22 HydrophobicContact CE-CG1 4.5Å; M19-V22 PolarHBondContact O-N 3.05Å; M19-E23 VanDerWaalsContact O-CB 3.26Å; M19-E23 WeakPolarHBondContact O-CB 3.4Å; M19-E23 PolarHBondContact O-N 3.47Å; M19-I131 HydrophobicContact CE-CG1 4.38Å; M19-I131 HydrophobicContact SD-CD1 4.42Å; M19-I131 HydrophobicContact SD-CG1 4.16Å; M19-L142 HydrophobicContact CE-CB 3.55Å; M19-L142 HydrophobicContact CE-CD1 4.34Å; M19-L142 HydrophobicContact CE-CG 4.46Å; M19-A143 VanDerWaalsContact CB-CA 3.46Å; M19-A143 HydrophobicContact CB-CB 3.67Å; M19-L146 HydrophobicContact CE-CB 4.2Å; M19-L146 HydrophobicContact CE-CD2 4Å; M19-L146 HydrophobicContact CG-CB 4.2Å; M19-L146 HydrophobicContact CG-CD2 3.81Å; M19-L146 HydrophobicContact SD-CB 4.39Å; M19-L146 HydrophobicContact SD-CD2 3.36Å; M19-L146 WeakPolarHBondContact SD-CD2 3.48Å; M19-L146 HydrophobicContact SD-CG 4.5Å
20D92.4Very high89.7Confident70 Ų7031 Ų3137%0.37415%0.154SC..Hα-helixtrans-62.2-39.8170.5-79.7-6.6000112.2R16 L18 H24R16-D20 WeakPolarHBondContact O-CB 3.21Å; R16-D20 VanDerWaalsContact O-CG 3.27Å; R16-D20 PolarHBondContact O-N 2.96Å; L18-D20 VanDerWaalsContact C-N 3.31Å; L18-D20 PolarHBondContact O-N 2.97Å; D20-H24 WeakPolarHBondContact O-CB 3.32Å; D20-H24 PolarHBondContact O-N 3.35Å
21E94Very high90Very high3 Ų335.5 Ų35.51%0.01417%0.17CC..Hα-helixtrans-72.1-41.3176.1-70.9-59.7127.800112.3A17 L18 M19 H24 D25 V68 R71 M72 Y75 R90 R94A17-E21 PolarHBondContact O-N 3.16Å; L18-E21 WeakPolarHBondContact O-CB 3.25Å; L18-E21 PolarHBondContact O-N 3.17Å; L18-E21 VanDerWaalsContact O-N 3.09Å; M19-E21 VanDerWaalsContact C-N 3.34Å; E21-H24 PolarHBondContact O-N 3.46Å; E21-D25 PolarHBondContact O-N 3.03Å; E21-D25 VanDerWaalsContact O-N 3.14Å; E21-V68 HydrophobicContact CB-CG2 3.4Å; E21-V68 HydrophobicContact CG-CG2 4.29Å; E21-R71 IonicContact OE2-CZ 3.61Å; E21-R71 IonicContact OE2-NE 3.09Å; E21-R71 PolarHBondContact OE2-NE 3.2Å; E21-R71 IonicContact OE2-NH2 2.65Å; E21-M72 HydrophobicContact CG-CE 4.24Å; E21-Y75 HydrophobicContact CG-CE2 3.91Å; E21-Y75 WeakPolarHBondContact CG-OH 3.27Å; E21-Y75 PolarHBondContact OE1-OH 3.31Å; E21-R90 VanDerWaalsContact OE1-CD 3.26Å; E21-R90 WeakPolarHBondContact OE1-CD 3.03Å; E21-R90 IonicContact OE1-NE 3.49Å; E21-R90 PolarHBondContact OE1-NE 3.48Å; E21-R90 VanDerWaalsContact OE1-NE 3.09Å; E21-R94 IonicContact OE1-CZ 3.59Å; E21-R94 IonicContact OE1-NE 3.4Å; E21-R94 IonicContact OE1-NH2 3.55Å; E21-R94 PolarHBondContact OE1-NH2 3.31Å
22V94.6Very high89.8Confident0 Ų038.1 Ų38.10%018%0.18CC..Hα-helixtrans-62-49.4175.81730000110.1L18 M19 H24 D25 I26 L64 L65 V68 I135 L142L18-V22 HydrophobicContact CD1-CG2 3.85Å; L18-V22 HydrophobicContact CG-CG2 4.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.24Å; L18-V22 PolarHBondContact O-N 3.23Å; M19-V22 HydrophobicContact CE-CG1 4.5Å; M19-V22 PolarHBondContact O-N 3.05Å; V22-H24 VanDerWaalsContact C-N 3.28Å; V22-H24 PolarHBondContact O-N 3.12Å; V22-D25 PolarHBondContact O-N 2.73Å; V22-I26 HydrophobicContact CG1-CG1 3.97Å; V22-I26 WeakPolarHBondContact O-CB 3.32Å; V22-I26 VanDerWaalsContact O-CG1 3.25Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 3.35Å; V22-L64 HydrophobicContact CG1-CD2 4.36Å; V22-L65 HydrophobicContact CG2-CD2 4.02Å; V22-V68 HydrophobicContact CG2-CG2 4.25Å; V22-I135 HydrophobicContact CG1-CD1 3.91Å; V22-L142 HydrophobicContact CG1-CD1 4.33Å
23E92.9Very high88.8Confident45 Ų4546.2 Ų46.221%0.2122%0.215CC..Hα-helixtrans-61-37.6-179.5-171.1160.1-17500111.9M19 T27 Y141 L142M19-E23 VanDerWaalsContact O-CB 3.26Å; M19-E23 WeakPolarHBondContact O-CB 3.4Å; M19-E23 PolarHBondContact O-N 3.47Å; E23-T27 VanDerWaalsContact O-CB 3.24Å; E23-T27 WeakPolarHBondContact O-CB 3.31Å; E23-T27 PolarHBondContact O-N 2.93Å; E23-T27 PolarHBondContact O-OG1 2.98Å; E23-Y141 PolarHBondContact OE1-N 3.2Å; E23-Y141 VanDerWaalsContact OE1-N 3.14Å; E23-L142 HydrophobicContact CB-CD1 4.02Å; E23-L142 HydrophobicContact CB-CG 4.47Å; E23-L142 HydrophobicContact CG-CD1 4.3Å; E23-L142 HydrophobicContact CG-CG 4.45Å; E23-L142 PolarHBondContact OE2-N 3.47Å
24H91.4Very high87.6Confident63 Ų6347 Ų4729%0.29222%0.22SC..Hα-helixtrans-59.9-51.2173.8-178.876.1000112.3D20 E21 V22 T27 K28 R94D20-H24 WeakPolarHBondContact O-CB 3.32Å; D20-H24 PolarHBondContact O-N 3.35Å; E21-H24 PolarHBondContact O-N 3.46Å; V22-H24 VanDerWaalsContact C-N 3.28Å; V22-H24 PolarHBondContact O-N 3.12Å; H24-T27 PolarHBondContact O-N 3.45Å; H24-K28 WeakPolarHBondContact O-CB 3.28Å; H24-K28 PolarHBondContact O-N 3.14Å; H24-K28 VanDerWaalsContact O-N 3.1Å; H24-R94 VanDerWaalsContact CE1-CD 3.43Å; H24-R94 WeakPolarHBondContact CE1-CD 3.46Å; H24-R94 WeakPolarHBondContact NE2-CD 3.25Å
25D91.5Very high86.1Confident36 Ų3653.9 Ų53.919%0.19325%0.25CS..Hα-helixtrans-70.6-38.4-176.6-81-14.7000112.2E21 V22 K28 A29 L64 R71E21-D25 PolarHBondContact O-N 3.03Å; E21-D25 VanDerWaalsContact O-N 3.14Å; V22-D25 PolarHBondContact O-N 2.73Å; D25-K28 PolarHBondContact O-N 2.87Å; D25-A29 WeakPolarHBondContact O-CB 3.35Å; D25-A29 PolarHBondContact O-N 2.94Å; D25-L64 HydrophobicContact CB-CD1 3.51Å; D25-L64 HydrophobicContact CB-CD2 4.2Å; D25-L64 WeakPolarHBondContact OD2-CD1 3.47Å; D25-R71 IonicContact OD2-CZ 3.2Å; D25-R71 IonicContact OD2-NH1 2.8Å; D25-R71 PolarHBondContact OD2-NH1 3.37Å; D25-R71 IonicContact OD2-NH2 2.84Å; D25-R71 PolarHBondContact OD2-NH2 3.1Å
26I91.2Very high84.5Confident1 Ų156.8 Ų56.81%0.00527%0.268CS..Hα-helixtrans-62.7-45.9173.7-67.2-55.7000111V22 K28 A29 R30 A55 F60 L61 L64 I135V22-I26 HydrophobicContact CG1-CG1 3.97Å; V22-I26 WeakPolarHBondContact O-CB 3.32Å; V22-I26 VanDerWaalsContact O-CG1 3.25Å; V22-I26 WeakPolarHBondContact O-CG1 3.43Å; V22-I26 PolarHBondContact O-N 3.35Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.04Å; I26-A29 CarbonylContact O-C 3.58Å; I26-A29 PolarHBondContact O-N 3.12Å; I26-A29 VanDerWaalsContact O-N 3.11Å; I26-R30 HydrophobicContact CG2-CG 4.34Å; I26-R30 WeakPolarHBondContact O-CG 3.47Å; I26-R30 PolarHBondContact O-N 3.48Å; I26-A55 HydrophobicContact CD1-CB 4.43Å; I26-A55 HydrophobicContact CG2-CB 4.21Å; I26-F60 HydrophobicContact CD1-CE1 3.93Å; I26-L61 HydrophobicContact CD1-CD2 3.41Å; I26-L61 VanDerWaalsContact CD1-CD2 3.41Å; I26-L64 HydrophobicContact CD1-CD2 3.73Å; I26-L64 HydrophobicContact CG1-CD2 4.11Å; I26-I135 HydrophobicContact CD1-CD1 3.93Å; I26-I135 HydrophobicContact CD1-CG1 4.35Å; I26-I135 HydrophobicContact CD1-CG2 3.82Å; I26-I135 HydrophobicContact CG1-CD1 3.94Å; I26-I135 HydrophobicContact CG1-CG1 4.1Å; I26-I135 HydrophobicContact CG1-CG2 4.22Å; I26-I135 HydrophobicContact CG2-CG2 4.14Å
27T89.3Confident82.7Confident64 Ų6455 Ų5539%0.39328%0.276SS..Hα-helixtrans-59.3-43.1178.3-62.70000111.1E23 H24 R30 Q31E23-T27 VanDerWaalsContact O-CB 3.24Å; E23-T27 WeakPolarHBondContact O-CB 3.31Å; E23-T27 PolarHBondContact O-N 2.93Å; E23-T27 PolarHBondContact O-OG1 2.98Å; H24-T27 PolarHBondContact O-N 3.45Å; T27-R30 PolarHBondContact O-N 2.8Å; T27-Q31 PolarHBondContact O-N 3.11Å
28K88Confident81.1Confident83 Ų8356.1 Ų56.136%0.36128%0.284SS..Hα-helixtrans-67.7-36.6175.8-170.5177.9-170.3169.60112.6H24 D25 I26 Q31H24-K28 WeakPolarHBondContact O-CB 3.28Å; H24-K28 PolarHBondContact O-N 3.14Å; H24-K28 VanDerWaalsContact O-N 3.1Å; D25-K28 PolarHBondContact O-N 2.87Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3.28Å
29A87.3Confident79.6Confident3 Ų365.9 Ų65.93%0.02533%0.327CS..Hα-helixtrans-70.7-36.2177.700000112.1D25 I26 Q31 K32 L54 A55 F60D25-A29 WeakPolarHBondContact O-CB 3.35Å; D25-A29 PolarHBondContact O-N 2.94Å; I26-A29 CarbonylContact O-C 3.58Å; I26-A29 PolarHBondContact O-N 3.12Å; I26-A29 VanDerWaalsContact O-N 3.11Å; A29-Q31 PolarHBondContact O-N 3.21Å; A29-K32 CarbonylContact O-C 3.53Å; A29-K32 WeakPolarHBondContact O-CA 3.32Å; A29-K32 PolarHBondContact O-N 3.45Å; A29-L54 HydrophobicContact CB-CB 4.23Å; A29-L54 HydrophobicContact CB-CD2 4.14Å; A29-L54 HydrophobicContact CB-CG 4.23Å; A29-A55 HydrophobicContact CB-CB 4.14Å; A29-F60 HydrophobicContact CB-CD1 4.44Å; A29-F60 HydrophobicContact CB-CE1 3.5Å; A29-F60 HydrophobicContact CB-CE2 4.25Å; A29-F60 HydrophobicContact CB-CZ 3.4Å
30R83.3Confident78.2Confident65 Ų6575.8 Ų75.825%0.24536%0.364CS..Hα-helixtrans-60.2-33.4174-74.4179.8-175.516311112.2I26 T27 K32 A55 I135I26-R30 HydrophobicContact CG2-CG 4.34Å; I26-R30 WeakPolarHBondContact O-CG 3.47Å; I26-R30 PolarHBondContact O-N 3.48Å; T27-R30 PolarHBondContact O-N 2.8Å; R30-K32 PolarHBondContact O-N 3.3Å; R30-A55 HydrophobicContact CG-CB 3.62Å; R30-I135 PolarHBondContact NH2-O 3.26Å
31Q81.1Confident77.2Confident158 Ų15878.2 Ų78.274%0.73838%0.375SS*.THydrogen-bonded Turntrans-72-14.5174.4-63.51758.500113.2T27 K28 A29T27-Q31 PolarHBondContact O-N 3.11Å; K28-Q31 PolarHBondContact O-N 3.28Å; A29-Q31 PolarHBondContact O-N 3.21Å
32K78.9Confident76.1Confident114 Ų11480.4 Ų80.450%0.49639%0.387SS..SBendtrans-104.2131178.7-64.9177.9-179-179.90110.7A29 R30 L54A29-K32 CarbonylContact O-C 3.53Å; A29-K32 WeakPolarHBondContact O-CA 3.32Å; A29-K32 PolarHBondContact O-N 3.45Å; R30-K32 PolarHBondContact O-N 3.3Å; K32-L54 HydrophobicContact CB-CD2 4.45Å; K32-L54 HydrophobicContact CD-CD2 4.47Å; K32-L54 PolarHBondContact O-N 3.05Å; K32-L54 VanDerWaalsContact O-N 3.15Å
33K65.4Low75.2Confident170 Ų17087.3 Ų87.374%0.73943%0.432SS*.EExtended strand (participates in β ladder)trans-92122.9174.2-64.9-177180-178.80109.9K51K33-K51 HydrophobicContact CB-CB 4.47Å; K33-K51 HydrophobicContact CD-CD 4.44Å
34A62.1Low74.6Confident23 Ų2390.5 Ų90.519%0.1945%0.451CS..EExtended strand (participates in β ladder)trans-87.2142.5171.300000110K51 I52 L54A34-K51 VanDerWaalsContact O-CA 3.27Å; A34-K51 WeakPolarHBondContact O-CA 3.4Å; A34-I52 PolarHBondContact N-O 3.14Å; A34-I52 PolarHBondContact O-N 3.19Å; A34-L54 HydrophobicContact CB-CB 4.17Å; A34-L54 HydrophobicContact CB-CD1 3.95Å
35K57.7Low73.6Confident145 Ų14590.3 Ų90.363%0.6347%0.466SS*.EExtended strand (participates in β ladder)trans-89.6115.5172.8-67.9-179-176.5175.90107.9
36V60.8Low72.8Confident61 Ų6191.7 Ų91.737%0.3748%0.476SS..PPolyproline II helixtrans-94.3133.3170.7-163.90000107.8S38 R50 I52V36-S38 PolarHBondContact O-N 2.92Å; V36-R50 PolarHBondContact N-O 3.49Å; V36-I52 HydrophobicContact CG2-CB 4.21Å; V36-I52 HydrophobicContact CG2-CD1 3.57Å; V36-I52 HydrophobicContact CG2-CG1 3.42Å; V36-I52 VanDerWaalsContact CG2-CG1 3.42Å; V36-I52 HydrophobicContact CG2-CG2 4.03Å
37G53.8Low71.7Confident48 Ų4895.5 Ų95.550%0.49549%0.493SS..PPolyproline II helixtrans-64.9121.5173.500000109.8
38S59.1Low70.3Confident27 Ų2798.4 Ų98.419%0.18950%0.502CS..PPolyproline II helixtrans-85.7121.8162.3177.40000107.6V36 R40 Q47 E48V36-S38 PolarHBondContact O-N 2.92Å; S38-R40 PolarHBondContact O-N 3.32Å; S38-R40 VanDerWaalsContact O-N 3.13Å; S38-R40 PolarHBondContact OG-N 2.9Å; S38-Q47 VanDerWaalsContact O-CG 3.28Å; S38-Q47 WeakPolarHBondContact O-CG 3.48Å; S38-Q47 PolarHBondContact O-NE2 3.1Å; S38-E48 WeakPolarHBondContact CB-O 3.26Å
39F62.7Low69.1Low205 Ų205101.4 Ų101.490%0.89951%0.511SS*.SBendtrans-68-6.7176.2-63.7-82.9000113.2
40R63.9Low67.7Low208 Ų208110.4 Ų110.479%0.78555%0.545SS*.PPolyproline II helixtrans-89.7117.4178.2-65.8-172.2170.4115.10.2110.5S38S38-R40 PolarHBondContact O-N 3.32Å; S38-R40 VanDerWaalsContact O-N 3.13Å; S38-R40 PolarHBondContact OG-N 2.9Å
41I71.6Confident66.7Low120 Ų120113.7 Ų113.762%0.61556%0.561SS**BIsolated β-bridgetrans-94.1126.7169.9-56.4172.6000106.6
42N70.9Confident66Low50 Ų50108.9 Ų108.927%0.26754%0.54SS..PPolyproline II helixtrans-66.9155175-71.9-29.6000110D44 G45 T46N42-D44 WeakPolarHBondContact CB-OD1 3.48Å; N42-D44 PolarHBondContact O-N 3.49Å; N42-G45 PolarHBondContact O-N 3.32Å; N42-T46 WeakPolarHBondContact CB-O 3.43Å; N42-T46 PolarHBondContact N-O 2.92Å; N42-T46 PolarHBondContact ND2-OG1 2.94Å
43P76.8Confident65.7Low144 Ų144105.5 Ų105.594%0.93553%0.53SS*.THydrogen-bonded Turntrans-59.4-15.7178.14.3-7.4000114.5G45P43-G45 VanDerWaalsContact C-N 3.33Å
44D80.9Confident66.2Low112 Ų11299.5 Ų99.560%0.59951%0.505SS*.THydrogen-bonded Turntrans-86.62.6174.367.5-5.1000113.8N42 T46N42-D44 WeakPolarHBondContact CB-OD1 3.48Å; N42-D44 PolarHBondContact O-N 3.49Å; D44-T46 VanDerWaalsContact C-N 3.29Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 PolarHBondContact O-N 3.34Å; D44-T46 WeakPolarHBondContact OD1-CB 3.06Å; D44-T46 PolarHBondContact OD1-N 3.44Å; D44-T46 PolarHBondContact OD1-OG1 3.43Å; D44-T46 WeakPolarHBondContact OD2-CG2 3.22Å; D44-T46 PolarHBondContact OD2-OG1 3.2Å; D44-T46 VanDerWaalsContact OD2-OG1 3.09Å
45G69.9Low66.9Low59 Ų5998.6 Ų98.661%0.60850%0.498SS*.SBendtrans81.21.5-177.300000114.6N42 P43N42-G45 PolarHBondContact O-N 3.32Å; P43-G45 VanDerWaalsContact C-N 3.33Å
46T73.6Confident67.9Low66 Ų6696.5 Ų96.541%0.40549%0.49SS..  trans-82.5145.7175.568.50000110.9N42 D44N42-T46 WeakPolarHBondContact CB-O 3.43Å; N42-T46 PolarHBondContact N-O 2.92Å; N42-T46 PolarHBondContact ND2-OG1 2.94Å; D44-T46 VanDerWaalsContact C-N 3.29Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 PolarHBondContact O-N 3.34Å; D44-T46 WeakPolarHBondContact OD1-CB 3.06Å; D44-T46 PolarHBondContact OD1-N 3.44Å; D44-T46 PolarHBondContact OD1-OG1 3.43Å; D44-T46 WeakPolarHBondContact OD2-CG2 3.22Å; D44-T46 PolarHBondContact OD2-OG1 3.2Å; D44-T46 VanDerWaalsContact OD2-OG1 3.09Å
47Q68Low68.9Low81 Ų8195.2 Ų95.238%0.37948%0.484SS..BIsolated β-bridgetrans-111.3113.2175.2-173.2-176.245.900108.6S38 R49S38-Q47 VanDerWaalsContact O-CG 3.28Å; S38-Q47 WeakPolarHBondContact O-CG 3.48Å; S38-Q47 PolarHBondContact O-NE2 3.1Å; Q47-R49 PolarHBondContact O-N 3.43Å
48E61.2Low70.4Confident124 Ų124100 Ų10058%0.57949%0.493SS*.  trans-68.298175.9-84.4-167.9171.600110.7S38 R50S38-E48 WeakPolarHBondContact CB-O 3.26Å; E48-R50 PolarHBondContact O-N 3.31Å
49R61.3Low71.7Confident146 Ų146102.2 Ų102.255%0.55151%0.514SS*.  trans-79104.3176.3-61.8-176.9-173.7-171.67.2109.7Q47 K51Q47-R49 PolarHBondContact O-N 3.43Å; R49-K51 PolarHBondContact O-N 2.67Å
50R59.1Low73Confident193 Ų19394.5 Ų94.573%0.72848%0.48SS*.  trans-64.5129.2168.5-74.1-173175.6-172.4-2.5108.9V36 E48V36-R50 PolarHBondContact N-O 3.49Å; E48-R50 PolarHBondContact O-N 3.31Å
51K62.9Low74.3Confident134 Ų13485.3 Ų85.358%0.58345%0.446SS*.EExtended strand (participates in β ladder)trans-101.1109.2175.3-66.8177.6-174.81720107.7K33 A34 R49K33-K51 HydrophobicContact CB-CB 4.47Å; K33-K51 HydrophobicContact CD-CD 4.44Å; A34-K51 VanDerWaalsContact O-CA 3.27Å; A34-K51 WeakPolarHBondContact O-CA 3.4Å; R49-K51 PolarHBondContact O-N 2.67Å
52I65.9Low75.2Confident56 Ų5681.9 Ų81.929%0.28743%0.431SS..EExtended strand (participates in β ladder)trans-93.8150.8167.472.3-179.1000108.7A34 V36 L54 Q56A34-I52 PolarHBondContact N-O 3.14Å; A34-I52 PolarHBondContact O-N 3.19Å; V36-I52 HydrophobicContact CG2-CB 4.21Å; V36-I52 HydrophobicContact CG2-CD1 3.57Å; V36-I52 HydrophobicContact CG2-CG1 3.42Å; V36-I52 VanDerWaalsContact CG2-CG1 3.42Å; V36-I52 HydrophobicContact CG2-CG2 4.03Å; I52-L54 PolarHBondContact O-N 3.17Å; I52-Q56 HydrophobicContact CD1-CB 4.43Å
53P71.4Confident76.3Confident44 Ų4482.8 Ų82.829%0.28644%0.436SS..EExtended strand (participates in β ladder)trans-53.1136.8166.4-22.833.5000110.3A55 Q56P53-A55 PolarHBondContact O-N 2.96Å; P53-A55 VanDerWaalsContact O-N 3.16Å; P53-Q56 HydrophobicContact CB-CG 4.38Å; P53-Q56 PolarHBondContact O-N 2.55Å
54L76.6Confident77.1Confident43 Ų4376.4 Ų76.423%0.22539%0.394CS..G310 helixtrans-57.6-32.5-179.7178.464.4000112A29 K32 A34 I52 Q56 S57 F60A29-L54 HydrophobicContact CB-CB 4.23Å; A29-L54 HydrophobicContact CB-CD2 4.14Å; A29-L54 HydrophobicContact CB-CG 4.23Å; K32-L54 HydrophobicContact CB-CD2 4.45Å; K32-L54 HydrophobicContact CD-CD2 4.47Å; K32-L54 PolarHBondContact O-N 3.05Å; K32-L54 VanDerWaalsContact O-N 3.15Å; A34-L54 HydrophobicContact CB-CB 4.17Å; A34-L54 HydrophobicContact CB-CD1 3.95Å; I52-L54 PolarHBondContact O-N 3.17Å; L54-Q56 PolarHBondContact O-N 2.84Å; L54-Q56 VanDerWaalsContact O-N 3.12Å; L54-S57 WeakPolarHBondContact O-CB 3.24Å; L54-S57 PolarHBondContact O-N 3.43Å; L54-F60 HydrophobicContact CD1-CB 3.92Å; L54-F60 HydrophobicContact CD1-CD2 4.06Å; L54-F60 HydrophobicContact CD1-CG 3.95Å; L54-F60 HydrophobicContact CD2-CD2 3.94Å; L54-F60 HydrophobicContact CD2-CE2 4Å; L54-F60 HydrophobicContact CD2-CG 4.42Å; L54-F60 HydrophobicContact CG-CB 4.3Å; L54-F60 HydrophobicContact CG-CD1 4.15Å; L54-F60 HydrophobicContact CG-CD2 3.82Å; L54-F60 HydrophobicContact CG-CE2 4.22Å; L54-F60 HydrophobicContact CG-CG 3.8Å; L54-F60 VanDerWaalsContact O-CD1 3.31Å; L54-F60 WeakPolarHBondContact O-CD1 3.19Å
55A76.8Confident77.8Confident5 Ų571.4 Ų71.44%0.04137%0.367CS..G310 helixtrans-62.9-12.1176.100000114.9I26 A29 R30 P53I26-A55 HydrophobicContact CD1-CB 4.43Å; I26-A55 HydrophobicContact CG2-CB 4.21Å; A29-A55 HydrophobicContact CB-CB 4.14Å; R30-A55 HydrophobicContact CG-CB 3.62Å; P53-A55 PolarHBondContact O-N 2.96Å; P53-A55 VanDerWaalsContact O-N 3.16Å
56Q77.8Confident78.9Confident100 Ų10075.1 Ų75.147%0.46737%0.368SS..G310 helixtrans-99.30.3175.5-66.4-177.9-10.100112.8I52 P53 L54I52-Q56 HydrophobicContact CD1-CB 4.43Å; P53-Q56 HydrophobicContact CB-CG 4.38Å; P53-Q56 PolarHBondContact O-N 2.55Å; L54-Q56 PolarHBondContact O-N 2.84Å; L54-Q56 VanDerWaalsContact O-N 3.12Å
57S83.3Confident79.9Confident34 Ų3476.7 Ų76.724%0.23837%0.37CS..  trans-84.2115177.8174.90000109.8L54 A59 F60 L61L54-S57 WeakPolarHBondContact O-CB 3.24Å; L54-S57 PolarHBondContact O-N 3.43Å; S57-A59 VanDerWaalsContact C-N 3.33Å; S57-A59 PolarHBondContact O-N 3.37Å; S57-F60 WeakPolarHBondContact O-CA 3.47Å; S57-F60 WeakPolarHBondContact O-CB 3.46Å; S57-F60 PolarHBondContact O-N 2.97Å; S57-L61 PolarHBondContact O-N 2.82Å; S57-L61 VanDerWaalsContact O-N 3.1Å
58E83.9Confident81.2Confident148 Ų14872.8 Ų72.869%0.69235%0.352SS*.Hα-helixtrans-49.9-51175.6-174.3-178.2166.100112.1F60 L61 T62E58-F60 PolarHBondContact O-N 3.11Å; E58-L61 WeakPolarHBondContact O-CA 3.39Å; E58-L61 PolarHBondContact O-N 2.71Å; E58-T62 PolarHBondContact O-N 3.36Å; E58-T62 PolarHBondContact O-OG1 3.45Å
59A86.6Confident82.8Confident75 Ų7567.1 Ų67.162%0.6233%0.326SS*.Hα-helixtrans-57.5-26.4177.300000114.4S57 D63S57-A59 VanDerWaalsContact C-N 3.33Å; S57-A59 PolarHBondContact O-N 3.37Å; A59-D63 WeakPolarHBondContact O-CB 3.31Å; A59-D63 PolarHBondContact O-N 3.27Å
60F90Very high84.2Confident43 Ų4365 Ų6519%0.18932%0.322CS..Hα-helixtrans-79.6-38.4174.6164.7-98.7000111.2I26 A29 L54 S57 E58 L64I26-F60 HydrophobicContact CD1-CE1 3.93Å; A29-F60 HydrophobicContact CB-CD1 4.44Å; A29-F60 HydrophobicContact CB-CE1 3.5Å; A29-F60 HydrophobicContact CB-CE2 4.25Å; A29-F60 HydrophobicContact CB-CZ 3.4Å; L54-F60 HydrophobicContact CD1-CB 3.92Å; L54-F60 HydrophobicContact CD1-CD2 4.06Å; L54-F60 HydrophobicContact CD1-CG 3.95Å; L54-F60 HydrophobicContact CD2-CD2 3.94Å; L54-F60 HydrophobicContact CD2-CE2 4Å; L54-F60 HydrophobicContact CD2-CG 4.42Å; L54-F60 HydrophobicContact CG-CB 4.3Å; L54-F60 HydrophobicContact CG-CD1 4.15Å; L54-F60 HydrophobicContact CG-CD2 3.82Å; L54-F60 HydrophobicContact CG-CE2 4.22Å; L54-F60 HydrophobicContact CG-CG 3.8Å; L54-F60 VanDerWaalsContact O-CD1 3.31Å; L54-F60 WeakPolarHBondContact O-CD1 3.19Å; S57-F60 WeakPolarHBondContact O-CA 3.47Å; S57-F60 WeakPolarHBondContact O-CB 3.46Å; S57-F60 PolarHBondContact O-N 2.97Å; E58-F60 PolarHBondContact O-N 3.11Å; F60-L64 HydrophobicContact CE1-CD2 4.41Å; F60-L64 HydrophobicContact CZ-CD2 4.47Å; F60-L64 VanDerWaalsContact O-CB 3.24Å; F60-L64 WeakPolarHBondContact O-CB 3.46Å; F60-L64 PolarHBondContact O-N 3.23Å
61L91.1Very high85.7Confident15 Ų1558.4 Ų58.48%0.07930%0.297CS..Hα-helixtrans-68.1-42.2178.9-61.3-179.4000111.5I26 S57 E58 L64 L65 F132 I135I26-L61 HydrophobicContact CD1-CD2 3.41Å; I26-L61 VanDerWaalsContact CD1-CD2 3.41Å; S57-L61 PolarHBondContact O-N 2.82Å; S57-L61 VanDerWaalsContact O-N 3.1Å; E58-L61 WeakPolarHBondContact O-CA 3.39Å; E58-L61 PolarHBondContact O-N 2.71Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.13Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 2.65Å; L61-F132 HydrophobicContact CB-CD1 3.97Å; L61-F132 HydrophobicContact CB-CE1 3.49Å; L61-F132 VanDerWaalsContact CB-CE1 3.49Å; L61-F132 HydrophobicContact CB-CZ 4.05Å; L61-F132 HydrophobicContact CD1-CD1 4.1Å; L61-F132 HydrophobicContact CD1-CE1 4.46Å; L61-I135 HydrophobicContact CD1-CG2 4.35Å; L61-I135 HydrophobicContact CD2-CD1 4.1Å; L61-I135 HydrophobicContact CD2-CG2 4Å
62T92.1Very high87Confident47 Ų4752 Ų5229%0.28827%0.269SS..Hα-helixtrans-61.1-50.2174-50.80000111.3E58 L64 L65 E66E58-T62 PolarHBondContact O-N 3.36Å; E58-T62 PolarHBondContact O-OG1 3.45Å; T62-L64 PolarHBondContact O-N 3.37Å; T62-L65 PolarHBondContact O-N 3.39Å; T62-E66 WeakPolarHBondContact O-CG 3.44Å; T62-E66 PolarHBondContact O-N 3.05Å
63D92.9Very high88Confident70 Ų7052.2 Ų52.237%0.37427%0.271SS..Hα-helixtrans-60.8-32.5177.8-171.180.2000112.6A59 K67A59-D63 WeakPolarHBondContact O-CB 3.31Å; A59-D63 PolarHBondContact O-N 3.27Å; D63-K67 WeakPolarHBondContact O-CG 3.47Å; D63-K67 VanDerWaalsContact OD1-CE 3.24Å; D63-K67 WeakPolarHBondContact OD1-CE 3.36Å; D63-K67 IonicContact OD1-NZ 3.63Å; D63-K67 PolarHBondContact OD1-NZ 3.21Å; D63-K67 IonicContact OD2-NZ 2.69Å; D63-K67 PolarHBondContact OD2-NZ 3.28Å
64L94.3Very high88.8Confident9 Ų951.6 Ų51.65%0.04727%0.265CS..Hα-helixtrans-66.4-51.1175173.764.6000111.2V22 D25 I26 F60 L61 T62 K67 V68V22-L64 HydrophobicContact CG1-CD2 4.36Å; D25-L64 HydrophobicContact CB-CD1 3.51Å; D25-L64 HydrophobicContact CB-CD2 4.2Å; D25-L64 WeakPolarHBondContact OD2-CD1 3.47Å; I26-L64 HydrophobicContact CD1-CD2 3.73Å; I26-L64 HydrophobicContact CG1-CD2 4.11Å; F60-L64 HydrophobicContact CE1-CD2 4.41Å; F60-L64 HydrophobicContact CZ-CD2 4.47Å; F60-L64 VanDerWaalsContact O-CB 3.24Å; F60-L64 WeakPolarHBondContact O-CB 3.46Å; F60-L64 PolarHBondContact O-N 3.23Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.13Å; T62-L64 PolarHBondContact O-N 3.37Å; L64-K67 PolarHBondContact O-N 2.87Å; L64-V68 WeakPolarHBondContact O-CB 3.31Å; L64-V68 PolarHBondContact O-N 2.96Å
65L95.2Very high89.2Confident8 Ų850.2 Ų50.24%0.04226%0.257CS..Hα-helixtrans-67.2-34.8-177.9-66.6-169.7000112.5V22 L61 T62 K67 V68 I124 E128 I131 F132V22-L65 HydrophobicContact CG2-CD2 4.02Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 2.65Å; T62-L65 PolarHBondContact O-N 3.39Å; L65-K67 PolarHBondContact O-N 2.93Å; L65-V68 HydrophobicContact CD2-CG1 4.48Å; L65-I124 HydrophobicContact CB-CD1 4.2Å; L65-I124 HydrophobicContact CB-CG2 4.1Å; L65-I124 HydrophobicContact CD1-CG2 4.28Å; L65-I124 HydrophobicContact CD2-CD1 4.33Å; L65-I124 VanDerWaalsContact O-CD1 3.23Å; L65-I124 WeakPolarHBondContact O-CD1 3.46Å; L65-E128 HydrophobicContact CD1-CG 3.99Å; L65-I131 HydrophobicContact CD1-CG2 4.22Å; L65-I131 HydrophobicContact CD2-CG2 4.1Å; L65-F132 HydrophobicContact CD1-CD1 4.08Å; L65-F132 HydrophobicContact CD1-CE1 3.33Å; L65-F132 HydrophobicContact CD1-CZ 3.9Å; L65-F132 HydrophobicContact CG-CE1 4.04Å
66E93.8Very high89.5Confident136 Ų13653.6 Ų53.664%0.63627%0.271SS*.Hα-helixtrans-61.1-30.6174-74.2177.9179.300113.3T62T62-E66 WeakPolarHBondContact O-CG 3.44Å; T62-E66 PolarHBondContact O-N 3.05Å
67K94.1Very high89.8Confident99 Ų9952.4 Ų52.443%0.4327%0.267SS..Hα-helixtrans-107.8-16.6-170.4-65.8175.1-170162.90114.3D63 L64 L65 C69 E70D63-K67 WeakPolarHBondContact O-CG 3.47Å; D63-K67 VanDerWaalsContact OD1-CE 3.24Å; D63-K67 WeakPolarHBondContact OD1-CE 3.36Å; D63-K67 IonicContact OD1-NZ 3.63Å; D63-K67 PolarHBondContact OD1-NZ 3.21Å; D63-K67 IonicContact OD2-NZ 2.69Å; D63-K67 PolarHBondContact OD2-NZ 3.28Å; L64-K67 PolarHBondContact O-N 2.87Å; L65-K67 PolarHBondContact O-N 2.93Å; K67-C69 VanDerWaalsContact C-N 3.33Å; K67-C69 PolarHBondContact O-N 3.23Å; K67-E70 WeakPolarHBondContact O-CB 3.37Å; K67-E70 PolarHBondContact O-N 2.93Å
68V95.2Very high89.6Confident0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-65.2-37.2-173.265.80000111.9L18 E21 V22 L64 L65 E70 R71 I124L18-V68 HydrophobicContact CD1-CB 4.34Å; L18-V68 HydrophobicContact CD1-CG1 3.38Å; L18-V68 HydrophobicContact CD1-CG2 3.96Å; E21-V68 HydrophobicContact CB-CG2 3.4Å; E21-V68 HydrophobicContact CG-CG2 4.29Å; V22-V68 HydrophobicContact CG2-CG2 4.25Å; L64-V68 WeakPolarHBondContact O-CB 3.31Å; L64-V68 PolarHBondContact O-N 2.96Å; L65-V68 HydrophobicContact CD2-CG1 4.48Å; V68-E70 PolarHBondContact O-N 2.99Å; V68-R71 WeakPolarHBondContact O-CB 3.2Å; V68-R71 PolarHBondContact O-N 3.4Å; V68-I124 HydrophobicContact CG1-CD1 3.55Å
69C94.2Very high89.5Confident5 Ų550.8 Ų50.83%0.03426%0.256CS..G310 helixtrans-68-20.9-179.4-63.60000113.9K67 R71 M72 K117 C120 E121 I124K67-C69 VanDerWaalsContact C-N 3.33Å; K67-C69 PolarHBondContact O-N 3.23Å; C69-R71 PolarHBondContact O-N 3.04Å; C69-M72 VanDerWaalsContact O-CB 3.31Å; C69-M72 WeakPolarHBondContact O-CB 3.49Å; C69-M72 VanDerWaalsContact O-CG 3.29Å; C69-M72 WeakPolarHBondContact O-CG 3.49Å; C69-M72 PolarHBondContact O-N 3.45Å; C69-M72 VanDerWaalsContact O-N 3.14Å; C69-K117 HydrophobicContact CB-CG 4.39Å; C69-C120 WeakPolarHBondContact CA-SG 3.46Å; C69-C120 HydrophobicContact CB-CB 3.79Å; C69-C120 WeakPolarHBondContact CB-SG 2.85Å; C69-C120 WeakPolarHBondContact SG-CB 3.36Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.26Å; C69-E121 HydrophobicContact CB-CG 3.98Å; C69-E121 PolarHBondContact SG-N 3.24Å; C69-E121 VanDerWaalsContact SG-N 3.43Å; C69-I124 WeakPolarHBondContact SG-CD1 3.26Å
70E91.6Very high89.1Confident101 Ų10149.9 Ų49.947%0.47224%0.241SC..G310 helixtrans-61.8-28.8171.5-64.2-60.1160.600112.1K67 V68 M72 N73 K117K67-E70 WeakPolarHBondContact O-CB 3.37Å; K67-E70 PolarHBondContact O-N 2.93Å; V68-E70 PolarHBondContact O-N 2.99Å; E70-M72 PolarHBondContact O-N 2.91Å; E70-N73 VanDerWaalsContact O-CG 3.26Å; E70-N73 PolarHBondContact O-OD1 2.64Å; E70-K117 WeakPolarHBondContact OE1-CE 3.38Å; E70-K117 IonicContact OE1-NZ 2.83Å; E70-K117 PolarHBondContact OE1-NZ 3Å; E70-K117 IonicContact OE2-NZ 3.63Å; E70-K117 PolarHBondContact OE2-NZ 3.4Å
71R90.5Very high88.9Confident54 Ų5452.6 Ų52.620%0.20426%0.263CS..G310 helixtrans-79.1-0.7179.3-59-166.3-66-94.910.9113.6E21 D25 V68 C69 N73 D74 Y75E21-R71 IonicContact OE2-CZ 3.61Å; E21-R71 IonicContact OE2-NE 3.09Å; E21-R71 PolarHBondContact OE2-NE 3.2Å; E21-R71 IonicContact OE2-NH2 2.65Å; D25-R71 IonicContact OD2-CZ 3.2Å; D25-R71 IonicContact OD2-NH1 2.8Å; D25-R71 PolarHBondContact OD2-NH1 3.37Å; D25-R71 IonicContact OD2-NH2 2.84Å; D25-R71 PolarHBondContact OD2-NH2 3.1Å; V68-R71 WeakPolarHBondContact O-CB 3.2Å; V68-R71 PolarHBondContact O-N 3.4Å; C69-R71 PolarHBondContact O-N 3.04Å; R71-N73 WeakPolarHBondContact CA-OD1 3.43Å; R71-N73 PolarHBondContact O-N 3.08Å; R71-N73 VanDerWaalsContact O-N 3.17Å; R71-N73 PolarHBondContact O-OD1 3.42Å; R71-D74 VanDerWaalsContact O-CB 3.26Å; R71-D74 WeakPolarHBondContact O-CB 3.48Å; R71-D74 PolarHBondContact O-N 3.1Å; R71-Y75 WeakPolarHBondContact O-CD2 3.43Å
72M90.4Very high88.6Confident0 Ų058 Ų580%030%0.296CS..G310 helixtrans-62.8-18.6172-68-54.2114.500112.5A17 E21 C69 E70 D74 Y75 L116 K117 C120A17-M72 HydrophobicContact CB-CE 4.42Å; A17-M72 HydrophobicContact CB-SD 3.94Å; E21-M72 HydrophobicContact CG-CE 4.24Å; C69-M72 VanDerWaalsContact O-CB 3.31Å; C69-M72 WeakPolarHBondContact O-CB 3.49Å; C69-M72 VanDerWaalsContact O-CG 3.29Å; C69-M72 WeakPolarHBondContact O-CG 3.49Å; C69-M72 PolarHBondContact O-N 3.45Å; C69-M72 VanDerWaalsContact O-N 3.14Å; E70-M72 PolarHBondContact O-N 2.91Å; M72-D74 PolarHBondContact O-N 2.93Å; M72-Y75 HydrophobicContact CE-CE2 4.35Å; M72-Y75 PolarHBondContact O-N 3.23Å; M72-Y75 HydrophobicContact SD-CD2 4.48Å; M72-L116 HydrophobicContact CB-CB 4.42Å; M72-L116 HydrophobicContact CB-CD2 3.98Å; M72-L116 HydrophobicContact CB-CG 3.84Å; M72-L116 HydrophobicContact CG-CD2 4.41Å; M72-L116 HydrophobicContact CG-CG 3.98Å; M72-L116 HydrophobicContact SD-CD1 4.26Å; M72-L116 HydrophobicContact SD-CD2 4.03Å; M72-L116 HydrophobicContact SD-CG 3.86Å; M72-K117 HydrophobicContact CB-CB 4.33Å; M72-C120 HydrophobicContact CG-CB 3.83Å; M72-C120 HydrophobicContact SD-CB 4.3Å
73N86.9Confident88.3Confident61 Ų6159.8 Ų59.833%0.32631%0.307SS..G310 helixtrans-66.1-17.9170.170.7-21.2000114E70 R71 Y75 F91 Y113E70-N73 VanDerWaalsContact O-CG 3.26Å; E70-N73 PolarHBondContact O-OD1 2.64Å; R71-N73 WeakPolarHBondContact CA-OD1 3.43Å; R71-N73 PolarHBondContact O-N 3.08Å; R71-N73 VanDerWaalsContact O-N 3.17Å; R71-N73 PolarHBondContact O-OD1 3.42Å; N73-Y75 VanDerWaalsContact C-N 3.26Å; N73-F91 VanDerWaalsContact O-CE1 3.24Å; N73-F91 WeakPolarHBondContact O-CE1 3.49Å; N73-F91 WeakPolarHBondContact O-CZ 3.35Å; N73-Y113 HydrophobicContact CB-CD1 3.86Å; N73-Y113 HydrophobicContact CB-CD2 3.93Å; N73-Y113 HydrophobicContact CB-CE1 3.77Å; N73-Y113 HydrophobicContact CB-CE2 3.91Å; N73-Y113 HydrophobicContact CB-CG 3.92Å
74D86.9Confident87.6Confident30 Ų3062.5 Ų62.516%0.1632%0.315CS..G310 helixtrans-84.7-0.7177.5-68.2-31.6000112.6R71 M72 R90 F91 A92R71-D74 VanDerWaalsContact O-CB 3.26Å; R71-D74 WeakPolarHBondContact O-CB 3.48Å; R71-D74 PolarHBondContact O-N 3.1Å; M72-D74 PolarHBondContact O-N 2.93Å; D74-R90 HydrophobicContact CB-CG 4.21Å; D74-R90 CarbonylContact O-C 3.57Å; D74-R90 WeakPolarHBondContact O-CA 3.02Å; D74-R90 IonicContact OD2-CZ 2.67Å; D74-R90 IonicContact OD2-NH2 3.55Å; D74-R90 PolarHBondContact OD2-NH2 3.09Å; D74-F91 WeakPolarHBondContact O-CD1 3.3Å; D74-F91 WeakPolarHBondContact O-CE1 3.35Å; D74-F91 PolarHBondContact O-N 3.34Å; D74-A92 HydrophobicContact CB-CB 3.69Å; D74-A92 PolarHBondContact O-N 2.88Å; D74-A92 VanDerWaalsContact OD1-CB 3.26Å; D74-A92 WeakPolarHBondContact OD1-CB 3.38Å
75Y86.3Confident86.9Confident15 Ų1565.7 Ų65.76%0.05933%0.33CS..EExtended strand (participates in β ladder)trans-107146.7-178.8-72.9-104.2000111.2A17 E21 R71 M72 N73 F88 K89 R90A17-Y75 HydrophobicContact CB-CD1 3.77Å; A17-Y75 HydrophobicContact CB-CE1 3.67Å; A17-Y75 HydrophobicContact CB-CG 4.31Å; E21-Y75 HydrophobicContact CG-CE2 3.91Å; E21-Y75 WeakPolarHBondContact CG-OH 3.27Å; E21-Y75 PolarHBondContact OE1-OH 3.31Å; R71-Y75 WeakPolarHBondContact O-CD2 3.43Å; M72-Y75 HydrophobicContact CE-CE2 4.35Å; M72-Y75 PolarHBondContact O-N 3.23Å; M72-Y75 HydrophobicContact SD-CD2 4.48Å; N73-Y75 VanDerWaalsContact C-N 3.26Å; Y75-F88 HydrophobicContact CD1-CB 4.24Å; Y75-K89 WeakPolarHBondContact CA-O 2.99Å; Y75-R90 HydrophobicContact CD1-CB 4.1Å; Y75-R90 HydrophobicContact CD2-CG 4.32Å; Y75-R90 HydrophobicContact CE1-CB 3.71Å; Y75-R90 HydrophobicContact CE1-CG 4.37Å; Y75-R90 HydrophobicContact CE2-CB 4.17Å; Y75-R90 HydrophobicContact CE2-CG 3.92Å; Y75-R90 HydrophobicContact CG-CB 4.48Å
76K83.4Confident86Confident76 Ų7669.3 Ų69.333%0.3334%0.343SS..EExtended strand (participates in β ladder)trans-130.8150.1171.765.4178173.9155.50109.9E78 F88 K89 F91K76-E78 HydrophobicContact CD-CG 4.22Å; K76-E78 WeakPolarHBondContact CE-OE1 3.27Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.97Å; K76-E78 PolarHBondContact NZ-OE1 3.48Å; K76-E78 PolarHBondContact O-N 3.37Å; K76-F88 WeakPolarHBondContact O-CA 3.02Å; K76-K89 PolarHBondContact N-O 3.27Å; K76-K89 PolarHBondContact O-N 3.26Å; K76-F91 HydrophobicContact CB-CD1 3.92Å; K76-F91 HydrophobicContact CD-CB 3.84Å; K76-F91 HydrophobicContact CD-CD1 4.38Å; K76-F91 HydrophobicContact CD-CG 4.31Å; K76-F91 HydrophobicContact CG-CB 4.01Å; K76-F91 HydrophobicContact CG-CD1 4.06Å; K76-F91 HydrophobicContact CG-CG 4.4Å
77L82.9Confident85.4Confident74 Ų7464.7 Ų64.739%0.38732%0.324SS..EExtended strand (participates in β ladder)trans-76.4111.2170.7-171.265000108.6P8 R86 F88P8-L77 HydrophobicContact CB-CD1 3.7Å; P8-L77 HydrophobicContact CG-CD1 4.37Å; L77-R86 HydrophobicContact CD1-CB 3.7Å; L77-R86 HydrophobicContact CG-CB 4.1Å; L77-F88 HydrophobicContact CB-CD1 4.26Å; L77-F88 HydrophobicContact CB-CE1 4.07Å; L77-F88 HydrophobicContact CD1-CD1 4.23Å; L77-F88 HydrophobicContact CD1-CE1 4.11Å; L77-F88 HydrophobicContact CD1-CZ 4.41Å
78E80.1Confident85Confident64 Ų6462.3 Ų62.330%0.29931%0.314SS..EExtended strand (participates in β ladder)trans-100.5145.5169.7-66.5-162.5156.400110K76 R86 T87 K89K76-E78 HydrophobicContact CD-CG 4.22Å; K76-E78 WeakPolarHBondContact CE-OE1 3.27Å; K76-E78 HydrophobicContact CG-CG 4.05Å; K76-E78 IonicContact NZ-OE1 2.97Å; K76-E78 PolarHBondContact NZ-OE1 3.48Å; K76-E78 PolarHBondContact O-N 3.37Å; E78-R86 CarbonylContact O-C 3.46Å; E78-R86 WeakPolarHBondContact O-CA 3.45Å; E78-T87 PolarHBondContact N-O 2.83Å; E78-T87 PolarHBondContact O-N 2.7Å; E78-K89 HydrophobicContact CB-CD 4.18Å; E78-K89 HydrophobicContact CG-CB 4.28Å; E78-K89 HydrophobicContact CG-CD 4.26Å; E78-K89 WeakPolarHBondContact OE2-CD 3.48Å; E78-K89 IonicContact OE2-NZ 2.85Å
79E80.5Confident84.5Confident85 Ų8566.8 Ų66.840%0.39733%0.333SS..EExtended strand (participates in β ladder)trans-107.5127.7170.8-170.3175.210000108.4R86E79-R86 HydrophobicContact CB-CG 3.93Å; E79-R86 HydrophobicContact CG-CG 3.82Å; E79-R86 IonicContact OE2-CZ 2.78Å; E79-R86 IonicContact OE2-NE 3.52Å; E79-R86 PolarHBondContact OE2-NE 2.69Å; E79-R86 IonicContact OE2-NH2 2.59Å; E79-R86 PolarHBondContact OE2-NH2 2.85Å
80D79.5Confident84.1Confident56 Ų5669.1 Ų69.130%0.29934%0.341SS..  trans-65.7127.5172.7-172.8-71.7000109.5V82 T83 K84 E85D80-V82 PolarHBondContact O-N 2.83Å; D80-V82 WeakPolarHBondContact OD1-CA 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 3.4Å; D80-V82 PolarHBondContact OD1-N 2.93Å; D80-T83 WeakPolarHBondContact CB-OG1 3.47Å; D80-T83 PolarHBondContact OD1-N 3.27Å; D80-K84 VanDerWaalsContact O-CA 3.24Å; D80-K84 WeakPolarHBondContact O-CA 3.45Å; D80-K84 PolarHBondContact O-N 3.21Å; D80-E85 PolarHBondContact N-O 3.24Å
81P84.1Confident83.7Confident100 Ų10065.5 Ų65.565%0.64932%0.324SS*.THydrogen-bonded Turntrans-64.9-27.8-175.125.4-33.2000112.9K84P81-K84 WeakPolarHBondContact O-CE 3.43Å; P81-K84 PolarHBondContact O-NZ 2.57Å
82V86.1Confident83.4Confident128 Ų12863.7 Ų63.778%0.77632%0.32SS*.THydrogen-bonded Turntrans-92.7-58.1-176.3-1770000110.8D80 K84D80-V82 PolarHBondContact O-N 2.83Å; D80-V82 WeakPolarHBondContact OD1-CA 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 3.4Å; D80-V82 PolarHBondContact OD1-N 2.93Å; V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.92Å
83T84.8Confident83Confident84 Ų8465.7 Ų65.752%0.51533%0.333SS..THydrogen-bonded Turntrans-80.6-15.8-173.969.10000112.8D80 E85D80-T83 WeakPolarHBondContact CB-OG1 3.47Å; D80-T83 PolarHBondContact OD1-N 3.27Å; T83-E85 PolarHBondContact O-N 3.04Å; T83-E85 VanDerWaalsContact OG1-CB 3.22Å; T83-E85 WeakPolarHBondContact OG1-CB 3.5Å; T83-E85 PolarHBondContact OG1-N 3.09Å
84K79.8Confident83Confident127 Ų12765.8 Ų65.855%0.55233%0.329SS*.  trans58.69.3-170.3-55.1-56.2-174.5-166.20113.9D80 P81 V82D80-K84 VanDerWaalsContact O-CA 3.24Å; D80-K84 WeakPolarHBondContact O-CA 3.45Å; D80-K84 PolarHBondContact O-N 3.21Å; P81-K84 WeakPolarHBondContact O-CE 3.43Å; P81-K84 PolarHBondContact O-NZ 2.57Å; V82-K84 VanDerWaalsContact C-N 3.32Å; V82-K84 PolarHBondContact O-N 2.92Å
85E78.3Confident82.4Confident77 Ų7774.1 Ų74.136%0.3636%0.364SS..  trans-68.2133.1173.7-170.1178.2-174.900108.5D80 T83 T87D80-E85 PolarHBondContact N-O 3.24Å; T83-E85 PolarHBondContact O-N 3.04Å; T83-E85 VanDerWaalsContact OG1-CB 3.22Å; T83-E85 WeakPolarHBondContact OG1-CB 3.5Å; T83-E85 PolarHBondContact OG1-N 3.09Å; E85-T87 HydrophobicContact CG-CG2 4.47Å
86R77.3Confident81.7Confident84 Ų8477.2 Ų77.232%0.31740%0.401SS..EExtended strand (participates in β ladder)trans-96.1146.7173.6-52.6166.4176.7-154.4-1.2108.7P8 L77 E78 E79P8-R86 VanDerWaalsContact CB-C 3.41Å; P8-R86 HydrophobicContact CB-CB 4.02Å; P8-R86 WeakPolarHBondContact CB-O 3.39Å; P8-R86 WeakPolarHBondContact CD-O 3.24Å; P8-R86 VanDerWaalsContact CG-C 3.43Å; P8-R86 HydrophobicContact CG-CB 3.46Å; P8-R86 VanDerWaalsContact CG-CB 3.46Å; P8-R86 WeakPolarHBondContact CG-O 3.42Å; L77-R86 HydrophobicContact CD1-CB 3.7Å; L77-R86 HydrophobicContact CG-CB 4.1Å; E78-R86 CarbonylContact O-C 3.46Å; E78-R86 WeakPolarHBondContact O-CA 3.45Å; E79-R86 HydrophobicContact CB-CG 3.93Å; E79-R86 HydrophobicContact CG-CG 3.82Å; E79-R86 IonicContact OE2-CZ 2.78Å; E79-R86 IonicContact OE2-NE 3.52Å; E79-R86 PolarHBondContact OE2-NE 2.69Å; E79-R86 IonicContact OE2-NH2 2.59Å; E79-R86 PolarHBondContact OE2-NH2 2.85Å
87T80.9Confident81.3Confident38 Ų3877.8 Ų77.823%0.23341%0.407CS..EExtended strand (participates in β ladder)trans-146.2143.7176.748.60000109.2E78 E85 K89E78-T87 PolarHBondContact N-O 2.83Å; E78-T87 PolarHBondContact O-N 2.7Å; E85-T87 HydrophobicContact CG-CG2 4.47Å; T87-K89 PolarHBondContact O-N 3.19Å
88F84.9Confident80.8Confident50 Ų5084.4 Ų84.422%0.21943%0.427CS..EExtended strand (participates in β ladder)trans-74.4120.5166.7-71.3-64.1000108.4P8 A17 Y75 K76 L77 L116P8-F88 WeakPolarHBondContact O-CE2 3.34Å; P8-F88 WeakPolarHBondContact O-CZ 2.83Å; A17-F88 HydrophobicContact CB-CB 4.46Å; Y75-F88 HydrophobicContact CD1-CB 4.24Å; K76-F88 WeakPolarHBondContact O-CA 3.02Å; L77-F88 HydrophobicContact CB-CD1 4.26Å; L77-F88 HydrophobicContact CB-CE1 4.07Å; L77-F88 HydrophobicContact CD1-CD1 4.23Å; L77-F88 HydrophobicContact CD1-CE1 4.11Å; L77-F88 HydrophobicContact CD1-CZ 4.41Å; F88-L116 HydrophobicContact CD1-CD1 4.49Å; F88-L116 HydrophobicContact CD1-CD2 3.84Å; F88-L116 HydrophobicContact CD2-CD1 3.79Å; F88-L116 HydrophobicContact CD2-CD2 4.5Å; F88-L116 HydrophobicContact CE1-CD1 4.36Å; F88-L116 HydrophobicContact CE1-CD2 3.98Å; F88-L116 HydrophobicContact CE2-CD1 3.6Å; F88-L116 HydrophobicContact CG-CD1 4.23Å; F88-L116 HydrophobicContact CG-CD2 4.12Å; F88-L116 HydrophobicContact CZ-CB 4.43Å; F88-L116 HydrophobicContact CZ-CD1 3.93Å; F88-L116 HydrophobicContact CZ-CD2 4.37Å; F88-L116 HydrophobicContact CZ-CG 4.47Å
89K84.4Confident80.2Confident93 Ų9387.3 Ų87.340%0.40444%0.444SS..EExtended strand (participates in β ladder)trans-121133.7175.9-78175.3175.3176.60109.4Y75 K76 E78 T87 F91Y75-K89 WeakPolarHBondContact CA-O 2.99Å; K76-K89 PolarHBondContact N-O 3.27Å; K76-K89 PolarHBondContact O-N 3.26Å; E78-K89 HydrophobicContact CB-CD 4.18Å; E78-K89 HydrophobicContact CG-CB 4.28Å; E78-K89 HydrophobicContact CG-CD 4.26Å; E78-K89 WeakPolarHBondContact OE2-CD 3.48Å; E78-K89 IonicContact OE2-NZ 2.85Å; T87-K89 PolarHBondContact O-N 3.19Å; K89-F91 PolarHBondContact O-N 2.87Å
90R86.6Confident79.6Confident55 Ų5589.9 Ų89.921%0.20845%0.451CS..EExtended strand (participates in β ladder)trans-63.2119.2173.5-161.2175.2-165.7-87.9-7.6108E21 D74 Y75 A92 P93E21-R90 VanDerWaalsContact OE1-CD 3.26Å; E21-R90 WeakPolarHBondContact OE1-CD 3.03Å; E21-R90 IonicContact OE1-NE 3.49Å; E21-R90 PolarHBondContact OE1-NE 3.48Å; E21-R90 VanDerWaalsContact OE1-NE 3.09Å; D74-R90 HydrophobicContact CB-CG 4.21Å; D74-R90 CarbonylContact O-C 3.57Å; D74-R90 WeakPolarHBondContact O-CA 3.02Å; D74-R90 IonicContact OD2-CZ 2.67Å; D74-R90 IonicContact OD2-NH2 3.55Å; D74-R90 PolarHBondContact OD2-NH2 3.09Å; Y75-R90 HydrophobicContact CD1-CB 4.1Å; Y75-R90 HydrophobicContact CD2-CG 4.32Å; Y75-R90 HydrophobicContact CE1-CB 3.71Å; Y75-R90 HydrophobicContact CE1-CG 4.37Å; Y75-R90 HydrophobicContact CE2-CB 4.17Å; Y75-R90 HydrophobicContact CE2-CG 3.92Å; Y75-R90 HydrophobicContact CG-CB 4.48Å; R90-A92 VanDerWaalsContact NH1-C 3.31Å; R90-A92 PolarHBondContact NH1-O 3.39Å; R90-P93 PolarHBondContact NH1-O 3.48Å
91F82.6Confident78.6Confident24 Ų2495 Ų9511%0.10547%0.473CS..  trans-91.6-53.3172.575.5-90.3000108.1N73 D74 K76 K89 F103 L106 F108N73-F91 VanDerWaalsContact O-CE1 3.24Å; N73-F91 WeakPolarHBondContact O-CE1 3.49Å; N73-F91 WeakPolarHBondContact O-CZ 3.35Å; D74-F91 WeakPolarHBondContact O-CD1 3.3Å; D74-F91 WeakPolarHBondContact O-CE1 3.35Å; D74-F91 PolarHBondContact O-N 3.34Å; K76-F91 HydrophobicContact CB-CD1 3.92Å; K76-F91 HydrophobicContact CD-CB 3.84Å; K76-F91 HydrophobicContact CD-CD1 4.38Å; K76-F91 HydrophobicContact CD-CG 4.31Å; K76-F91 HydrophobicContact CG-CB 4.01Å; K76-F91 HydrophobicContact CG-CD1 4.06Å; K76-F91 HydrophobicContact CG-CG 4.4Å; K89-F91 PolarHBondContact O-N 2.87Å; F91-F103 HydrophobicContact CB-CE1 3.77Å; F91-F103 AromaticContact CD2-CD1 3.89Å; F91-F103 HydrophobicContact CD2-CD1 3.89Å; F91-F103 AromaticContact CD2-CE1 3.73Å; F91-F103 HydrophobicContact CD2-CE1 3.73Å; F91-F103 HydrophobicContact CG-CE1 4.24Å; F91-F103 WeakPolarHBondContact O-CE1 3.45Å; F91-F103 WeakPolarHBondContact O-CZ 3.41Å; F91-L106 HydrophobicContact CB-CD1 4.42Å; F91-L106 HydrophobicContact CD2-CD1 3.49Å; F91-L106 VanDerWaalsContact CD2-CD1 3.49Å; F91-L106 HydrophobicContact CE2-CD1 4.09Å; F91-L106 HydrophobicContact CG-CD1 4.19Å; F91-F108 HydrophobicContact CE2-CD1 4.18Å; F91-F108 AromaticContact CE2-CE1 3.44Å; F91-F108 HydrophobicContact CE2-CE1 3.44Å; F91-F108 VanDerWaalsContact CE2-CE1 3.44Å; F91-F108 HydrophobicContact CE2-CZ 4.12Å; F91-F108 AromaticContact CZ-CD1 3.93Å; F91-F108 HydrophobicContact CZ-CD1 3.93Å; F91-F108 AromaticContact CZ-CE1 3.6Å; F91-F108 HydrophobicContact CZ-CE1 3.6Å
92A84.1Confident77.7Confident16 Ų1697.1 Ų97.113%0.13247%0.474CS..SBendtrans-56.3148-17400000112D74 R90D74-A92 HydrophobicContact CB-CB 3.69Å; D74-A92 PolarHBondContact O-N 2.88Å; D74-A92 VanDerWaalsContact OD1-CB 3.26Å; D74-A92 WeakPolarHBondContact OD1-CB 3.38Å; R90-A92 VanDerWaalsContact NH1-C 3.31Å; R90-A92 PolarHBondContact NH1-O 3.39Å
93P83.6Confident76.3Confident42 Ų4293.2 Ų93.227%0.27345%0.446SS..PPolyproline II helixtrans-73.2150172.126.6-31.5000111.3R90 D97 I99R90-P93 PolarHBondContact NH1-O 3.48Å; P93-D97 HydrophobicContact CB-CB 3.87Å; P93-I99 HydrophobicContact CG-CG1 4.22Å
94R85.3Confident74.9Confident64 Ų6497.6 Ų97.624%0.24246%0.458CS..PPolyproline II helixtrans-80.6163.6170.6-64.2-171.6173.9117.9-4.4109.5E21 H24 G96 D97E21-R94 IonicContact OE1-CZ 3.59Å; E21-R94 IonicContact OE1-NE 3.4Å; E21-R94 IonicContact OE1-NH2 3.55Å; E21-R94 PolarHBondContact OE1-NH2 3.31Å; H24-R94 VanDerWaalsContact CE1-CD 3.43Å; H24-R94 WeakPolarHBondContact CE1-CD 3.46Å; H24-R94 WeakPolarHBondContact NE2-CD 3.25Å; R94-G96 PolarHBondContact O-N 2.97Å; R94-D97 WeakPolarHBondContact CA-OD2 3.23Å; R94-D97 VanDerWaalsContact CB-OD2 3.27Å; R94-D97 WeakPolarHBondContact CB-OD2 3.48Å; R94-D97 PolarHBondContact N-OD2 2.59Å; R94-D97 WeakPolarHBondContact O-CB 3.41Å; R94-D97 PolarHBondContact O-N 2.78Å
95K75.2Confident73.8Confident204 Ų20499.8 Ų99.889%0.88747%0.468SS*.THydrogen-bonded Turntrans-61.6105.9178.4-173.3177.1-176.8173.80110.1
96G71.3Confident72.8Confident80 Ų8099.2 Ų99.283%0.82547%0.467SS*.THydrogen-bonded Turntrans114.9-11.1-177.400000114.2R94R94-G96 PolarHBondContact O-N 2.97Å
97D76.1Confident71.6Confident89 Ų89104.8 Ų104.848%0.47649%0.49SS..SBendtrans-76.3152.6176.3-65.4-16.1000111.2P93 R94 I99P93-D97 HydrophobicContact CB-CB 3.87Å; R94-D97 WeakPolarHBondContact CA-OD2 3.23Å; R94-D97 VanDerWaalsContact CB-OD2 3.27Å; R94-D97 WeakPolarHBondContact CB-OD2 3.48Å; R94-D97 PolarHBondContact N-OD2 2.59Å; R94-D97 WeakPolarHBondContact O-CB 3.41Å; R94-D97 PolarHBondContact O-N 2.78Å; D97-I99 PolarHBondContact O-N 2.92Å
98R71.6Confident70.3Confident213 Ų213110.1 Ų110.180%0.80451%0.51SS*.  trans-65122174.1-67.4-177.4179-1770.2109Y100R98-Y100 VanDerWaalsContact O-CD2 3.27Å; R98-Y100 WeakPolarHBondContact O-CD2 3.3Å; R98-Y100 WeakPolarHBondContact O-CE2 3.37Å; R98-Y100 PolarHBondContact O-N 3.46Å
99I68.4Low68.8Low125 Ų125116.4 Ų116.464%0.64153%0.533SS*.  trans-75.1108.4176.3-57.3170.7000108.2P93 D97P93-I99 HydrophobicContact CG-CG1 4.22Å; D97-I99 PolarHBondContact O-N 2.92Å
100Y66.2Low67.6Low139 Ų139115.6 Ų115.655%0.54554%0.539SS..  trans-71.3139.7173.6-57.6-92.2000110.4R98 E102 F103R98-Y100 VanDerWaalsContact O-CD2 3.27Å; R98-Y100 WeakPolarHBondContact O-CD2 3.3Å; R98-Y100 WeakPolarHBondContact O-CE2 3.37Å; R98-Y100 PolarHBondContact O-N 3.46Å; Y100-E102 PolarHBondContact O-N 3.03Å; Y100-E102 VanDerWaalsContact O-N 3.09Å; Y100-F103 HydrophobicContact CD2-CD2 4.23Å; Y100-F103 AromaticContact CD2-CE2 3.73Å; Y100-F103 HydrophobicContact CD2-CE2 3.73Å; Y100-F103 HydrophobicContact CG-CD2 4.48Å; Y100-F103 HydrophobicContact CG-CE2 4.2Å; Y100-F103 WeakPolarHBondContact O-CB 3.41Å; Y100-F103 WeakPolarHBondContact O-CD2 3.42Å; Y100-F103 PolarHBondContact O-N 2.01Å
101Q60.2Low66.3Low163 Ų163117.5 Ų117.576%0.76255%0.554SS**G310 helixtrans-59.4-23.9-179.7-80.2-175.91.300113.1F103 K104Q101-F103 PolarHBondContact O-N 3.45Å; Q101-K104 PolarHBondContact O-N 2.03Å
102E63.3Low65.5Low144 Ų144120.3 Ų120.367%0.67358%0.581SS**G310 helixtrans-60.4-30.9177-49.8178.2-122.300111.9Y100 K104 K105Y100-E102 PolarHBondContact O-N 3.03Å; Y100-E102 VanDerWaalsContact O-N 3.09Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 3.45Å; E102-K105 PolarHBondContact O-N 3.38Å
103F58.3Low65Low46 Ų46122.5 Ų122.520%0.20259%0.587CS.*G310 helixtrans-66.6-27.4177.2-76-66.3000114.1F91 Y100 Q101 K105 L106F91-F103 HydrophobicContact CB-CE1 3.77Å; F91-F103 AromaticContact CD2-CD1 3.89Å; F91-F103 HydrophobicContact CD2-CD1 3.89Å; F91-F103 AromaticContact CD2-CE1 3.73Å; F91-F103 HydrophobicContact CD2-CE1 3.73Å; F91-F103 HydrophobicContact CG-CE1 4.24Å; F91-F103 WeakPolarHBondContact O-CE1 3.45Å; F91-F103 WeakPolarHBondContact O-CZ 3.41Å; Y100-F103 HydrophobicContact CD2-CD2 4.23Å; Y100-F103 AromaticContact CD2-CE2 3.73Å; Y100-F103 HydrophobicContact CD2-CE2 3.73Å; Y100-F103 HydrophobicContact CG-CD2 4.48Å; Y100-F103 HydrophobicContact CG-CE2 4.2Å; Y100-F103 WeakPolarHBondContact O-CB 3.41Å; Y100-F103 WeakPolarHBondContact O-CD2 3.42Å; Y100-F103 PolarHBondContact O-N 2.01Å; Q101-F103 PolarHBondContact O-N 3.45Å; F103-K105 PolarHBondContact O-N 3.4Å; F103-L106 HydrophobicContact CD1-CD1 3.88Å; F103-L106 HydrophobicContact CE1-CD1 4Å; F103-L106 PolarHBondContact O-N 3.13Å
104K55.7Low65Low176 Ų176127.9 Ų127.977%0.76560%0.601SS**G310 helixtrans-70.5-11178.8-64.8-175.2177.5-176.70112.9Q101 E102Q101-K104 PolarHBondContact O-N 2.03Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 3.45Å
105K54.9Low65.1Low173 Ų173129 Ų12975%0.75262%0.617SS**G310 helixtrans-103.1-3.5-176.5-61.2-177.5-179.11780113.6E102 F103E102-K105 PolarHBondContact O-N 3.38Å; F103-K105 PolarHBondContact O-N 3.4Å
106L58Low65.7Low65 Ų65119.8 Ų119.834%0.3458%0.577SS.*  trans-84.6123.6179.1-70.5167.2000109.8F91 F103 F108F91-L106 HydrophobicContact CB-CD1 4.42Å; F91-L106 HydrophobicContact CD2-CD1 3.49Å; F91-L106 VanDerWaalsContact CD2-CD1 3.49Å; F91-L106 HydrophobicContact CE2-CD1 4.09Å; F91-L106 HydrophobicContact CG-CD1 4.19Å; F103-L106 HydrophobicContact CD1-CD1 3.88Å; F103-L106 HydrophobicContact CE1-CD1 4Å; F103-L106 PolarHBondContact O-N 3.13Å; L106-F108 WeakPolarHBondContact O-CD2 3.36Å; L106-F108 WeakPolarHBondContact O-CE2 3.41Å
107Y51.2Low66.6Low202 Ų202118.1 Ų118.179%0.79255%0.547SS*.  trans-84.5123.7172-73.9-92.1000109.2Y109Y107-Y109 PolarHBondContact O-N 3.25Å
108F53.8Low67.4Low150 Ų150120.4 Ų120.466%0.65855%0.553SS**  trans-87104.9-177.6-59.1-93000109.5F91 L106F91-F108 HydrophobicContact CE2-CD1 4.18Å; F91-F108 AromaticContact CE2-CE1 3.44Å; F91-F108 HydrophobicContact CE2-CE1 3.44Å; F91-F108 VanDerWaalsContact CE2-CE1 3.44Å; F91-F108 HydrophobicContact CE2-CZ 4.12Å; F91-F108 AromaticContact CZ-CD1 3.93Å; F91-F108 HydrophobicContact CZ-CD1 3.93Å; F91-F108 AromaticContact CZ-CE1 3.6Å; F91-F108 HydrophobicContact CZ-CE1 3.6Å; L106-F108 WeakPolarHBondContact O-CD2 3.36Å; L106-F108 WeakPolarHBondContact O-CE2 3.41Å
109Y54.6Low68.4Low182 Ų182111 Ų11171%0.71452%0.521SS*.  trans-86.7112.7170.2-75.1-84.9000109.3Y107 D111 A112Y107-Y109 PolarHBondContact O-N 3.25Å; Y109-D111 PolarHBondContact O-N 3.23Å; Y109-A112 PolarHBondContact O-N 2.98Å
110S58.3Low69.6Low75 Ų75105 Ų10552%0.52449%0.49SS..THydrogen-bonded Turntrans-57.1-20.3-178.3-1700000114.6Y113S110-Y113 WeakPolarHBondContact O-CE1 3.47Å; S110-Y113 PolarHBondContact O-OH 3.08Å; S110-Y113 PolarHBondContact OG-OH 2.92Å
111D60.3Low71Confident96 Ų96101.9 Ų101.951%0.51348%0.481SS..THydrogen-bonded Turntrans-102.5-16.5-170.4-65-16.1000113.4Y109 Y113 R114Y109-D111 PolarHBondContact O-N 3.23Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 3.17Å; D111-R114 PolarHBondContact O-N 3.36Å; D111-R114 IonicContact OD1-CZ 2.63Å; D111-R114 IonicContact OD1-NE 3.96Å; D111-R114 PolarHBondContact OD1-NE 3.5Å; D111-R114 IonicContact OD1-NH2 2.61Å; D111-R114 PolarHBondContact OD1-NH2 3.21Å; D111-R114 IonicContact OD2-NH2 2.78Å
112A65.8Low72.6Confident83 Ų8395.5 Ų95.569%0.68645%0.453SS*.THydrogen-bonded Turntrans-71.7-24.2-173.900000113.3Y109Y109-A112 PolarHBondContact O-N 2.98Å
113Y73.2Confident74.1Confident62 Ų6288.6 Ų88.624%0.24342%0.421CS..THydrogen-bonded Turntrans-99.7-5.2-178.262.5-97.1000113.8N73 S110 D111 P115 L116 K117N73-Y113 HydrophobicContact CB-CD1 3.86Å; N73-Y113 HydrophobicContact CB-CD2 3.93Å; N73-Y113 HydrophobicContact CB-CE1 3.77Å; N73-Y113 HydrophobicContact CB-CE2 3.91Å; N73-Y113 HydrophobicContact CB-CG 3.92Å; S110-Y113 WeakPolarHBondContact O-CE1 3.47Å; S110-Y113 PolarHBondContact O-OH 3.08Å; S110-Y113 PolarHBondContact OG-OH 2.92Å; D111-Y113 VanDerWaalsContact C-N 3.3Å; D111-Y113 PolarHBondContact O-N 3.17Å; Y113-P115 VanDerWaalsContact C-CD 3.42Å; Y113-P115 VanDerWaalsContact C-N 3.28Å; Y113-L116 PolarHBondContact O-N 3.46Å; Y113-K117 PolarHBondContact O-N 2.85Å
114R82.6Confident75.9Confident155 Ų15587.3 Ų87.359%0.58542%0.416SS*.Hα-helixtrans-52.8-41.7177.9-64.6-175.3-166.5-166.55.1112.5D111 L116 K117 F118D111-R114 PolarHBondContact O-N 3.36Å; D111-R114 IonicContact OD1-CZ 2.63Å; D111-R114 IonicContact OD1-NE 3.96Å; D111-R114 PolarHBondContact OD1-NE 3.5Å; D111-R114 IonicContact OD1-NH2 2.61Å; D111-R114 PolarHBondContact OD1-NH2 3.21Å; D111-R114 IonicContact OD2-NH2 2.78Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 2.93Å; R114-K117 PolarHBondContact O-N 3.42Å; R114-F118 WeakPolarHBondContact O-CB 2.71Å; R114-F118 PolarHBondContact O-N 3.31Å
115P87.6Confident77.8Confident88 Ų8886.4 Ų86.457%0.57141%0.414SS*.Hα-helixtrans-64.4-36.8176.8-22.435000113.3Y113 A119Y113-P115 VanDerWaalsContact C-CD 3.42Å; Y113-P115 VanDerWaalsContact C-N 3.28Å; P115-A119 WeakPolarHBondContact O-CB 3.38Å; P115-A119 PolarHBondContact O-N 3.06Å
116L88.3Confident79.7Confident10 Ų1083.6 Ų83.65%0.05240%0.404CS..Hα-helixtrans-70.8-42178.3-179.960000111.3A14 M72 F88 Y113 R114 A119 C120A14-L116 HydrophobicContact CB-CD1 3.62Å; M72-L116 HydrophobicContact CB-CB 4.42Å; M72-L116 HydrophobicContact CB-CD2 3.98Å; M72-L116 HydrophobicContact CB-CG 3.84Å; M72-L116 HydrophobicContact CG-CD2 4.41Å; M72-L116 HydrophobicContact CG-CG 3.98Å; M72-L116 HydrophobicContact SD-CD1 4.26Å; M72-L116 HydrophobicContact SD-CD2 4.03Å; M72-L116 HydrophobicContact SD-CG 3.86Å; F88-L116 HydrophobicContact CD1-CD1 4.49Å; F88-L116 HydrophobicContact CD1-CD2 3.84Å; F88-L116 HydrophobicContact CD2-CD1 3.79Å; F88-L116 HydrophobicContact CD2-CD2 4.5Å; F88-L116 HydrophobicContact CE1-CD1 4.36Å; F88-L116 HydrophobicContact CE1-CD2 3.98Å; F88-L116 HydrophobicContact CE2-CD1 3.6Å; F88-L116 HydrophobicContact CG-CD1 4.23Å; F88-L116 HydrophobicContact CG-CD2 4.12Å; F88-L116 HydrophobicContact CZ-CB 4.43Å; F88-L116 HydrophobicContact CZ-CD1 3.93Å; F88-L116 HydrophobicContact CZ-CD2 4.37Å; F88-L116 HydrophobicContact CZ-CG 4.47Å; Y113-L116 PolarHBondContact O-N 3.46Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-L116 PolarHBondContact O-N 2.93Å; L116-A119 PolarHBondContact O-N 3.09Å; L116-C120 WeakPolarHBondContact O-CB 3.22Å; L116-C120 PolarHBondContact O-N 2.79Å
117K91.1Very high81.4Confident45 Ų4582.6 Ų82.620%0.19640%0.396CS..Hα-helixtrans-60.1-48.4173.7178.6174.7174.1176.10111C69 E70 M72 Y113 R114 A119 C120 E121C69-K117 HydrophobicContact CB-CG 4.39Å; E70-K117 WeakPolarHBondContact OE1-CE 3.38Å; E70-K117 IonicContact OE1-NZ 2.83Å; E70-K117 PolarHBondContact OE1-NZ 3Å; E70-K117 IonicContact OE2-NZ 3.63Å; E70-K117 PolarHBondContact OE2-NZ 3.4Å; M72-K117 HydrophobicContact CB-CB 4.33Å; Y113-K117 PolarHBondContact O-N 2.85Å; R114-K117 PolarHBondContact O-N 3.42Å; K117-A119 PolarHBondContact O-N 3.49Å; K117-C120 WeakPolarHBondContact O-CB 3.02Å; K117-C120 PolarHBondContact O-N 3.24Å; K117-E121 WeakPolarHBondContact CE-OE1 3.26Å; K117-E121 IonicContact NZ-OE1 3.57Å; K117-E121 WeakPolarHBondContact O-CG 2.7Å; K117-E121 PolarHBondContact O-N 3.05Å
118F91.6Very high83.5Confident136 Ų13676.5 Ų76.560%0.59638%0.375SS*.Hα-helixtrans-59.3-46.8177.5-179.1-98.1000111.9R114 C120 E121 T122R114-F118 WeakPolarHBondContact O-CB 2.71Å; R114-F118 PolarHBondContact O-N 3.31Å; F118-C120 VanDerWaalsContact C-N 3.3Å; F118-C120 PolarHBondContact O-N 2.85Å; F118-E121 PolarHBondContact O-N 2.89Å; F118-T122 PolarHBondContact O-N 3.39Å; F118-T122 PolarHBondContact O-OG1 3.27Å; F118-T122 VanDerWaalsContact O-OG1 3.07Å
119A92.5Very high85.4Confident15 Ų1575.4 Ų75.412%0.12438%0.375CS..Hα-helixtrans-60.6-39.4176.300000112.4L11 A14 P115 L116 K117 T122 I123L11-A119 HydrophobicContact CD2-CB 4.04Å; A14-A119 HydrophobicContact CB-CB 3.56Å; P115-A119 WeakPolarHBondContact O-CB 3.38Å; P115-A119 PolarHBondContact O-N 3.06Å; L116-A119 PolarHBondContact O-N 3.09Å; K117-A119 PolarHBondContact O-N 3.49Å; A119-T122 PolarHBondContact O-N 2.85Å; A119-I123 VanDerWaalsContact O-CD1 3.29Å; A119-I123 WeakPolarHBondContact O-CD1 3.47Å; A119-I123 WeakPolarHBondContact O-CG1 2.99Å; A119-I123 PolarHBondContact O-N 3.46Å
120C94.9Very high87.3Confident0 Ų070.4 Ų70.40%036%0.359CS..Hα-helixtrans-60.9-47.1174176.80000111.8C69 M72 L116 K117 F118 T122 I123 I124C69-C120 WeakPolarHBondContact CA-SG 3.46Å; C69-C120 HydrophobicContact CB-CB 3.79Å; C69-C120 WeakPolarHBondContact CB-SG 2.85Å; C69-C120 WeakPolarHBondContact SG-CB 3.36Å; C69-C120 CovalentContact SG-SG 2.04Å; C69-C120 PolarHBondContact SG-SG 3.26Å; M72-C120 HydrophobicContact CG-CB 3.83Å; M72-C120 HydrophobicContact SD-CB 4.3Å; L116-C120 WeakPolarHBondContact O-CB 3.22Å; L116-C120 PolarHBondContact O-N 2.79Å; K117-C120 WeakPolarHBondContact O-CB 3.02Å; K117-C120 PolarHBondContact O-N 3.24Å; F118-C120 VanDerWaalsContact C-N 3.3Å; F118-C120 PolarHBondContact O-N 2.85Å; C120-T122 PolarHBondContact O-N 2.63Å; C120-I123 PolarHBondContact O-N 3.17Å; C120-I124 WeakPolarHBondContact O-CG1 3.43Å; C120-I124 PolarHBondContact O-N 2.81Å
121E95.3Very high89Confident73 Ų7366.9 Ų66.934%0.34133%0.334SS..Hα-helixtrans-60.4-45.7177.8-70.6167.2168.800110.9C69 K117 F118 I123 I124 E125C69-E121 HydrophobicContact CB-CG 3.98Å; C69-E121 PolarHBondContact SG-N 3.24Å; C69-E121 VanDerWaalsContact SG-N 3.43Å; K117-E121 WeakPolarHBondContact CE-OE1 3.26Å; K117-E121 IonicContact NZ-OE1 3.57Å; K117-E121 WeakPolarHBondContact O-CG 2.7Å; K117-E121 PolarHBondContact O-N 3.05Å; F118-E121 PolarHBondContact O-N 2.89Å; E121-I123 VanDerWaalsContact C-N 3.34Å; E121-I123 PolarHBondContact O-N 3.17Å; E121-I124 PolarHBondContact O-N 3.26Å; E121-E125 WeakPolarHBondContact O-CG 3.43Å; E121-E125 PolarHBondContact O-N 3.42Å
122T94.4Very high90.5Very high29 Ų2964 Ų6418%0.17832%0.317CS..Hα-helixtrans-58.1-43175.3-55.70000112.5L11 F118 A119 C120 I124 E125 E126L11-T122 HydrophobicContact CD2-CG2 4.49Å; F118-T122 PolarHBondContact O-N 3.39Å; F118-T122 PolarHBondContact O-OG1 3.27Å; F118-T122 VanDerWaalsContact O-OG1 3.07Å; A119-T122 PolarHBondContact O-N 2.85Å; C120-T122 PolarHBondContact O-N 2.63Å; T122-I124 VanDerWaalsContact C-N 3.35Å; T122-I124 PolarHBondContact O-N 3.04Å; T122-E125 PolarHBondContact O-N 2.91Å; T122-E126 WeakPolarHBondContact O-CG 3.38Å; T122-E126 PolarHBondContact O-N 2.88Å
123I94.7Very high91.7Very high0 Ų062.8 Ų62.80%030%0.303CS..Hα-helixtrans-66.7-38.9179.6-67.1158.9000111.1L11 A14 C15 L18 A119 C120 E121 E126 Y127 L153L11-I123 HydrophobicContact CB-CD1 4.35Å; L11-I123 HydrophobicContact CD2-CD1 3.98Å; L11-I123 HydrophobicContact CD2-CG1 3.78Å; L11-I123 WeakPolarHBondContact O-CD1 3.22Å; A14-I123 HydrophobicContact CB-CD1 3.84Å; C15-I123 HydrophobicContact CB-CD1 3.83Å; L18-I123 HydrophobicContact CD2-CB 4.1Å; L18-I123 HydrophobicContact CD2-CG2 3.67Å; A119-I123 VanDerWaalsContact O-CD1 3.29Å; A119-I123 WeakPolarHBondContact O-CD1 3.47Å; A119-I123 WeakPolarHBondContact O-CG1 2.99Å; A119-I123 PolarHBondContact O-N 3.46Å; C120-I123 PolarHBondContact O-N 3.17Å; E121-I123 VanDerWaalsContact C-N 3.34Å; E121-I123 PolarHBondContact O-N 3.17Å; I123-E126 PolarHBondContact O-N 2.95Å; I123-Y127 HydrophobicContact CG2-CD2 4.05Å; I123-Y127 WeakPolarHBondContact O-CB 3.43Å; I123-Y127 WeakPolarHBondContact O-CD2 3.39Å; I123-Y127 PolarHBondContact O-N 3.14Å; I123-L153 HydrophobicContact CD1-CD1 4.4Å; I123-L153 HydrophobicContact CG1-CD1 4.26Å
124I95.4Very high92.6Very high19 Ų1960.3 Ų60.310%0.09729%0.294CS..Hα-helixtrans-64.2-46.7175.7-69.5-179.5000110.1L18 L65 V68 C69 C120 E121 T122 E126 Y127 E128L18-I124 HydrophobicContact CD1-CD1 3.89Å; L18-I124 HydrophobicContact CD1-CG1 4.1Å; L18-I124 HydrophobicContact CD2-CD1 4.42Å; L18-I124 HydrophobicContact CD2-CG1 3.74Å; L65-I124 HydrophobicContact CB-CD1 4.2Å; L65-I124 HydrophobicContact CB-CG2 4.1Å; L65-I124 HydrophobicContact CD1-CG2 4.28Å; L65-I124 HydrophobicContact CD2-CD1 4.33Å; L65-I124 VanDerWaalsContact O-CD1 3.23Å; L65-I124 WeakPolarHBondContact O-CD1 3.46Å; V68-I124 HydrophobicContact CG1-CD1 3.55Å; C69-I124 WeakPolarHBondContact SG-CD1 3.26Å; C120-I124 WeakPolarHBondContact O-CG1 3.43Å; C120-I124 PolarHBondContact O-N 2.81Å; E121-I124 PolarHBondContact O-N 3.26Å; T122-I124 VanDerWaalsContact C-N 3.35Å; T122-I124 PolarHBondContact O-N 3.04Å; I124-E126 VanDerWaalsContact C-N 3.25Å; I124-E126 PolarHBondContact O-N 3.26Å; I124-Y127 PolarHBondContact O-N 3.31Å; I124-E128 WeakPolarHBondContact O-CB 3.49Å; I124-E128 PolarHBondContact O-N 3.49Å
125E95.1Very high93Very high157 Ų15753.2 Ų53.273%0.73427%0.268SS*.Hα-helixtrans-57.9-38178-72.9176.2178.900112.4E121 T122E121-E125 WeakPolarHBondContact O-CG 3.43Å; E121-E125 PolarHBondContact O-N 3.42Å; T122-E125 PolarHBondContact O-N 2.91Å
126E94.6Very high93Very high114 Ų11452.5 Ų52.553%0.53327%0.269SS..Hα-helixtrans-81.4-33.8-178.8-72.4-178.1171.300114T122 I123 I124T122-E126 WeakPolarHBondContact O-CG 3.38Å; T122-E126 PolarHBondContact O-N 2.88Å; I123-E126 PolarHBondContact O-N 2.95Å; I124-E126 VanDerWaalsContact C-N 3.25Å; I124-E126 PolarHBondContact O-N 3.26Å
127Y95.3Very high92.9Very high44 Ų4458.1 Ų58.117%0.17330%0.295CS..Hα-helixtrans-124.920.1-166.4-61.6-78.1000114.5I123 I124 D129 E130 I131 S151 L153I123-Y127 HydrophobicContact CG2-CD2 4.05Å; I123-Y127 WeakPolarHBondContact O-CB 3.43Å; I123-Y127 WeakPolarHBondContact O-CD2 3.39Å; I123-Y127 PolarHBondContact O-N 3.14Å; I124-Y127 PolarHBondContact O-N 3.31Å; Y127-D129 VanDerWaalsContact C-N 3.33Å; Y127-D129 PolarHBondContact O-N 3.35Å; Y127-E130 PolarHBondContact O-N 3.07Å; Y127-I131 WeakPolarHBondContact O-CB 2.97Å; Y127-I131 WeakPolarHBondContact O-CD1 3.29Å; Y127-I131 WeakPolarHBondContact O-CG1 3.3Å; Y127-I131 PolarHBondContact O-N 2.95Å; Y127-S151 WeakPolarHBondContact OH-CB 3.34Å; Y127-L153 HydrophobicContact CE2-CD1 4.39Å
128E94.8Very high92.5Very high74 Ų7460.9 Ų60.935%0.34631%0.309SS..Hα-helixtrans-52.9-48.4179.4-179.2173-17400112.2L65 I124 E130 I131 F132L65-E128 HydrophobicContact CD1-CG 3.99Å; I124-E128 WeakPolarHBondContact O-CB 3.49Å; I124-E128 PolarHBondContact O-N 3.49Å; E128-E130 PolarHBondContact O-N 3.46Å; E128-I131 WeakPolarHBondContact O-CB 3.04Å; E128-I131 PolarHBondContact O-N 3.24Å; E128-F132 HydrophobicContact CG-CD2 4.23Å; E128-F132 HydrophobicContact CG-CE1 4.31Å; E128-F132 HydrophobicContact CG-CE2 3.78Å; E128-F132 HydrophobicContact CG-CZ 3.82Å; E128-F132 PolarHBondContact O-N 3.35Å; E128-F132 WeakPolarHBondContact OE1-CE2 3.31Å; E128-F132 VanDerWaalsContact OE1-CZ 3.3Å; E128-F132 WeakPolarHBondContact OE1-CZ 3.36Å
129D93.1Very high92.1Very high126 Ų12654.7 Ų54.767%0.67428%0.283SS*.Hα-helixtrans-63.8-42.8-177.9-75.4-31.6000111.8Y127 F132 S133Y127-D129 VanDerWaalsContact C-N 3.33Å; Y127-D129 PolarHBondContact O-N 3.35Å; D129-F132 PolarHBondContact O-N 2.78Å; D129-S133 VanDerWaalsContact O-CB 3.32Å; D129-S133 WeakPolarHBondContact O-CB 3.48Å; D129-S133 PolarHBondContact O-N 3.22Å
130E94.3Very high91.6Very high78 Ų7859.9 Ų59.936%0.36431%0.305SS..Hα-helixtrans-63.5-42.2174.8-73.870.5-158.200111.5Y127 E128 S133 L134 L146Y127-E130 PolarHBondContact O-N 3.07Å; E128-E130 PolarHBondContact O-N 3.46Å; E130-S133 PolarHBondContact O-N 3.22Å; E130-L134 WeakPolarHBondContact O-CB 3.4Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.29Å; E130-L134 PolarHBondContact O-N 3.24Å; E130-L146 HydrophobicContact CB-CD1 3.78Å
131I93.6Very high91.2Very high0 Ų067.3 Ų67.30%033%0.334CS..Hα-helixtrans-59.8-49.5176.8-69.9162.4000109.8M19 L65 Y127 E128 S133 L134 I135 L146M19-I131 HydrophobicContact CE-CG1 4.38Å; M19-I131 HydrophobicContact SD-CD1 4.42Å; M19-I131 HydrophobicContact SD-CG1 4.16Å; L65-I131 HydrophobicContact CD1-CG2 4.22Å; L65-I131 HydrophobicContact CD2-CG2 4.1Å; Y127-I131 WeakPolarHBondContact O-CB 2.97Å; Y127-I131 WeakPolarHBondContact O-CD1 3.29Å; Y127-I131 WeakPolarHBondContact O-CG1 3.3Å; Y127-I131 PolarHBondContact O-N 2.95Å; E128-I131 WeakPolarHBondContact O-CB 3.04Å; E128-I131 PolarHBondContact O-N 3.24Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 2.04Å; I131-L134 PolarHBondContact O-N 3.5Å; I131-I135 HydrophobicContact CG2-CD1 3.71Å; I131-I135 WeakPolarHBondContact O-CD1 3.29Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 2.93Å; I131-L146 HydrophobicContact CD1-CD2 4.01Å; I131-L146 HydrophobicContact CG1-CD1 4.21Å; I131-L146 HydrophobicContact CG1-CD2 3.58Å
132F92.3Very high90.8Very high37 Ų3764 Ų6416%0.16232%0.318CS..Hα-helixtrans-61.2-42.8177.6-72.1-6.6000112.1L61 L65 E128 D129 L134 I135 A136L61-F132 HydrophobicContact CB-CD1 3.97Å; L61-F132 HydrophobicContact CB-CE1 3.49Å; L61-F132 VanDerWaalsContact CB-CE1 3.49Å; L61-F132 HydrophobicContact CB-CZ 4.05Å; L61-F132 HydrophobicContact CD1-CD1 4.1Å; L61-F132 HydrophobicContact CD1-CE1 4.46Å; L65-F132 HydrophobicContact CD1-CD1 4.08Å; L65-F132 HydrophobicContact CD1-CE1 3.33Å; L65-F132 HydrophobicContact CD1-CZ 3.9Å; L65-F132 HydrophobicContact CG-CE1 4.04Å; E128-F132 HydrophobicContact CG-CD2 4.23Å; E128-F132 HydrophobicContact CG-CE1 4.31Å; E128-F132 HydrophobicContact CG-CE2 3.78Å; E128-F132 HydrophobicContact CG-CZ 3.82Å; E128-F132 PolarHBondContact O-N 3.35Å; E128-F132 WeakPolarHBondContact OE1-CE2 3.31Å; E128-F132 VanDerWaalsContact OE1-CZ 3.3Å; E128-F132 WeakPolarHBondContact OE1-CZ 3.36Å; D129-F132 PolarHBondContact O-N 2.78Å; F132-L134 PolarHBondContact O-N 3.04Å; F132-I135 PolarHBondContact O-N 3.38Å; F132-A136 WeakPolarHBondContact O-CB 3.07Å; F132-A136 PolarHBondContact O-N 3.19Å
133S91.8Very high90.5Very high57 Ų5762.9 Ų62.940%0.39931%0.312SS..Hα-helixtrans-60.2-45.8177.3-173.80000112.1D129 E130 I131 I135 A136 Q137D129-S133 VanDerWaalsContact O-CB 3.32Å; D129-S133 WeakPolarHBondContact O-CB 3.48Å; D129-S133 PolarHBondContact O-N 3.22Å; E130-S133 PolarHBondContact O-N 3.22Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 2.04Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.43Å; S133-A136 PolarHBondContact O-N 3.04Å; S133-Q137 VanDerWaalsContact O-CG 3.24Å; S133-Q137 WeakPolarHBondContact O-CG 3.33Å; S133-Q137 PolarHBondContact O-N 3.38Å; S133-Q137 PolarHBondContact OG-NE2 3.01Å; S133-Q137 VanDerWaalsContact OG-NE2 3.12Å
134L92Very high90.2Very high9 Ų964.9 Ų64.95%0.04732%0.323CS..Hα-helixtrans-63.1-40177.6-72.5172.5000112.2E130 I131 F132 Q137 A139 L142 K145 L146E130-L134 WeakPolarHBondContact O-CB 3.4Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.29Å; E130-L134 PolarHBondContact O-N 3.24Å; I131-L134 PolarHBondContact O-N 3.5Å; F132-L134 PolarHBondContact O-N 3.04Å; L134-Q137 PolarHBondContact O-N 3.17Å; L134-A139 HydrophobicContact CD2-CB 4.38Å; L134-A139 WeakPolarHBondContact O-CB 3.37Å; L134-A139 PolarHBondContact O-N 2.94Å; L134-A139 VanDerWaalsContact O-N 3.17Å; L134-L142 HydrophobicContact CB-CD2 3.83Å; L134-K145 HydrophobicContact CD1-CB 4.18Å; L134-K145 HydrophobicContact CD2-CB 3.96Å; L134-K145 HydrophobicContact CD2-CD 3.79Å; L134-L146 HydrophobicContact CD1-CB 3.91Å; L134-L146 HydrophobicContact CD1-CD1 3.99Å
135I90.3Very high89.9Confident6 Ų667 Ų673%0.03133%0.331CS..Hα-helixtrans-66.8-43.4178.2-67.6165.2000110.9V22 I26 R30 L61 I131 F132 S133 Q137 E138 L142V22-I135 HydrophobicContact CG1-CD1 3.91Å; I26-I135 HydrophobicContact CD1-CD1 3.93Å; I26-I135 HydrophobicContact CD1-CG1 4.35Å; I26-I135 HydrophobicContact CD1-CG2 3.82Å; I26-I135 HydrophobicContact CG1-CD1 3.94Å; I26-I135 HydrophobicContact CG1-CG1 4.1Å; I26-I135 HydrophobicContact CG1-CG2 4.22Å; I26-I135 HydrophobicContact CG2-CG2 4.14Å; R30-I135 PolarHBondContact NH2-O 3.26Å; L61-I135 HydrophobicContact CD1-CG2 4.35Å; L61-I135 HydrophobicContact CD2-CD1 4.1Å; L61-I135 HydrophobicContact CD2-CG2 4Å; I131-I135 HydrophobicContact CG2-CD1 3.71Å; I131-I135 WeakPolarHBondContact O-CD1 3.29Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 2.93Å; F132-I135 PolarHBondContact O-N 3.38Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.43Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.94Å; I135-E138 PolarHBondContact O-N 3.35Å; I135-L142 HydrophobicContact CG1-CD1 4.25Å
136A87.6Confident89.7Confident74 Ų7459.5 Ų59.561%0.61230%0.296SS*.Hα-helixtrans-64.3-34.4178.800000112.5F132 S133 E138F132-A136 WeakPolarHBondContact O-CB 3.07Å; F132-A136 PolarHBondContact O-N 3.19Å; S133-A136 PolarHBondContact O-N 3.04Å; A136-E138 PolarHBondContact O-N 3.47Å
137Q87.3Confident89.6Confident127 Ų12754.1 Ų54.159%0.59327%0.271SS*.THydrogen-bonded Turntrans-74.41.7173.9-68.9171.427.600113.7S133 L134 I135 A139S133-Q137 VanDerWaalsContact O-CG 3.24Å; S133-Q137 WeakPolarHBondContact O-CG 3.33Å; S133-Q137 PolarHBondContact O-N 3.38Å; S133-Q137 PolarHBondContact OG-NE2 3.01Å; S133-Q137 VanDerWaalsContact OG-NE2 3.12Å; L134-Q137 PolarHBondContact O-N 3.17Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 2.94Å; Q137-A139 PolarHBondContact O-N 2.94Å; Q137-A139 VanDerWaalsContact O-N 3.16Å
138E82.8Confident89.1Confident103 Ų10352.3 Ų52.348%0.48127%0.265SS..THydrogen-bonded Turntrans5430.9-174.9-61.2-171.1176.100114I135 A136 H140I135-E138 PolarHBondContact O-N 3.35Å; A136-E138 PolarHBondContact O-N 3.47Å; E138-H140 PolarHBondContact O-N 3.36Å
139A81.3Confident88.7Confident7 Ų755 Ų556%0.05828%0.278CS..  trans-57.7141.4-178.900000112L134 Q137 L142 K145L134-A139 HydrophobicContact CD2-CB 4.38Å; L134-A139 WeakPolarHBondContact O-CB 3.37Å; L134-A139 PolarHBondContact O-N 2.94Å; L134-A139 VanDerWaalsContact O-N 3.17Å; Q137-A139 PolarHBondContact O-N 2.94Å; Q137-A139 VanDerWaalsContact O-N 3.16Å; A139-L142 HydrophobicContact CB-CD2 3.79Å; A139-K145 HydrophobicContact CB-CD 3.79Å; A139-K145 VanDerWaalsContact CB-NZ 3.3Å
140H82.8Confident88.2Confident124 Ų12454.9 Ų54.957%0.57427%0.271SS*.SBendtrans-92.5156.5164.8-61.4-66000109.7E138E138-H140 PolarHBondContact O-N 3.36Å
141Y85.8Confident87.5Confident156 Ų15651.7 Ų51.761%0.61226%0.257SS*.  trans59.956.5177.4-49.1-75.9000110.7E23 A143 D144 K145E23-Y141 PolarHBondContact OE1-N 3.2Å; E23-Y141 VanDerWaalsContact OE1-N 3.14Å; Y141-A143 PolarHBondContact O-N 3.33Å; Y141-D144 PolarHBondContact O-N 3.24Å; Y141-K145 PolarHBondContact O-N 3.33Å
142L88.4Confident86.9Confident2 Ų258.5 Ų58.51%0.0129%0.294CS..Hα-helixtrans-62.3-33.8-173.1-67.9178.5000111.7M19 V22 E23 L134 I135 A139 L146M19-L142 HydrophobicContact CE-CB 3.55Å; M19-L142 HydrophobicContact CE-CD1 4.34Å; M19-L142 HydrophobicContact CE-CG 4.46Å; V22-L142 HydrophobicContact CG1-CD1 4.33Å; E23-L142 HydrophobicContact CB-CD1 4.02Å; E23-L142 HydrophobicContact CB-CG 4.47Å; E23-L142 HydrophobicContact CG-CD1 4.3Å; E23-L142 HydrophobicContact CG-CG 4.45Å; E23-L142 PolarHBondContact OE2-N 3.47Å; L134-L142 HydrophobicContact CB-CD2 3.83Å; I135-L142 HydrophobicContact CG1-CD1 4.25Å; A139-L142 HydrophobicContact CB-CD2 3.79Å; L142-L146 WeakPolarHBondContact O-CB 3.07Å; L142-L146 PolarHBondContact O-N 2.93Å
143A87.6Confident86.3Confident7 Ų758.4 Ų58.46%0.05830%0.295CS..Hα-helixtrans-61.9-46.2176.400000112.5R16 M19 Y141 K145 C147R16-A143 HydrophobicContact CG-CB 4.16Å; M19-A143 VanDerWaalsContact CB-CA 3.46Å; M19-A143 HydrophobicContact CB-CB 3.67Å; Y141-A143 PolarHBondContact O-N 3.33Å; A143-K145 PolarHBondContact O-N 3.33Å; A143-C147 WeakPolarHBondContact O-CA 3.24Å; A143-C147 WeakPolarHBondContact O-CB 3.2Å; A143-C147 PolarHBondContact O-N 2.89Å; A143-C147 PolarHBondContact O-SG 2.99Å
144D87.8Confident85.8Confident42 Ų4255.9 Ų55.923%0.22528%0.277CS..Hα-helixtrans-66.6-41.8-178.3-63.2-31.2000110.5H4 R16 Y141 S148 E149H4-D144 IonicContact CD2-OD1 3.73Å; R16-D144 IonicContact NH2-OD1 3.15Å; Y141-D144 PolarHBondContact O-N 3.24Å; D144-S148 WeakPolarHBondContact O-CA 3.42Å; D144-S148 WeakPolarHBondContact O-CB 3.21Å; D144-S148 PolarHBondContact O-N 3Å; D144-S148 PolarHBondContact O-OG 3.46Å; D144-E149 PolarHBondContact O-N 2.83Å
145K89.8Confident84.9Confident62 Ų6262.5 Ų62.527%0.2731%0.308SS..Iπ-helixtrans-65.6-49.4178-69.2-172.2179.8-1660113.2L134 A139 Y141 A143 E149 K150L134-K145 HydrophobicContact CD1-CB 4.18Å; L134-K145 HydrophobicContact CD2-CB 3.96Å; L134-K145 HydrophobicContact CD2-CD 3.79Å; A139-K145 HydrophobicContact CB-CD 3.79Å; A139-K145 VanDerWaalsContact CB-NZ 3.3Å; Y141-K145 PolarHBondContact O-N 3.33Å; A143-K145 PolarHBondContact O-N 3.33Å; K145-E149 VanDerWaalsContact O-CB 3.32Å; K145-E149 WeakPolarHBondContact O-CB 2.83Å; K145-E149 PolarHBondContact O-N 3.43Å; K145-K150 WeakPolarHBondContact O-CG 3.44Å; K145-K150 PolarHBondContact O-N 2.97Å; K145-K150 VanDerWaalsContact O-N 3.1Å
146L91.6Very high83.4Confident0 Ų065.6 Ų65.60%033%0.327CS..Iπ-helixtrans-73-54-178.1-170.574.5000110.7M19 E130 I131 L134 L142 S148 K150 S151M19-L146 HydrophobicContact CE-CB 4.2Å; M19-L146 HydrophobicContact CE-CD2 4Å; M19-L146 HydrophobicContact CG-CB 4.2Å; M19-L146 HydrophobicContact CG-CD2 3.81Å; M19-L146 HydrophobicContact SD-CB 4.39Å; M19-L146 HydrophobicContact SD-CD2 3.36Å; M19-L146 WeakPolarHBondContact SD-CD2 3.48Å; M19-L146 HydrophobicContact SD-CG 4.5Å; E130-L146 HydrophobicContact CB-CD1 3.78Å; I131-L146 HydrophobicContact CD1-CD2 4.01Å; I131-L146 HydrophobicContact CG1-CD1 4.21Å; I131-L146 HydrophobicContact CG1-CD2 3.58Å; L134-L146 HydrophobicContact CD1-CB 3.91Å; L134-L146 HydrophobicContact CD1-CD1 3.99Å; L142-L146 WeakPolarHBondContact O-CB 3.07Å; L142-L146 PolarHBondContact O-N 2.93Å; L146-S148 PolarHBondContact O-N 2.94Å; L146-K150 HydrophobicContact CD1-CB 4.27Å; L146-K150 PolarHBondContact O-N 2.91Å; L146-S151 WeakPolarHBondContact O-CB 3.37Å; L146-S151 PolarHBondContact O-N 3.42Å; L146-S151 VanDerWaalsContact O-N 3.08Å; L146-S151 PolarHBondContact O-OG 3.35Å
147C90.6Very high81.6Confident1 Ų164.3 Ų64.31%0.00731%0.314CS..Iπ-helixtrans-75.6-24.7-168.3-49.60000113.2C15 A143 S151 L153 C154C15-C147 HydrophobicContact CB-CB 3.8Å; C15-C147 WeakPolarHBondContact CB-SG 3.15Å; C15-C147 PolarHBondContact O-SG 2.78Å; C15-C147 WeakPolarHBondContact SG-CA 3.47Å; C15-C147 WeakPolarHBondContact SG-CB 3.24Å; C15-C147 CovalentContact SG-SG 2.03Å; C15-C147 PolarHBondContact SG-SG 2.61Å; A143-C147 WeakPolarHBondContact O-CA 3.24Å; A143-C147 WeakPolarHBondContact O-CB 3.2Å; A143-C147 PolarHBondContact O-N 2.89Å; A143-C147 PolarHBondContact O-SG 2.99Å; C147-S151 VanDerWaalsContact CA-OG 3.31Å; C147-S151 WeakPolarHBondContact CA-OG 3.43Å; C147-S151 PolarHBondContact O-OG 3.01Å; C147-L153 CarbonylContact O-C 3.59Å; C147-L153 PolarHBondContact O-N 3.45Å; C147-L153 VanDerWaalsContact O-N 3.08Å; C147-C154 HydrophobicContact CB-CB 4.43Å; C147-C154 WeakPolarHBondContact O-CB 3.32Å; C147-C154 PolarHBondContact O-N 3.21Å
148S86.7Confident79.3Confident6 Ų661 Ų614%0.04231%0.308CS..Iπ-helixtrans-107.2-51.3177.9-43.10000112.3H4 D144 L146H4-S148 PolarHBondContact ND1-OG 3.01Å; H4-S148 VanDerWaalsContact ND1-OG 3.13Å; D144-S148 WeakPolarHBondContact O-CA 3.42Å; D144-S148 WeakPolarHBondContact O-CB 3.21Å; D144-S148 PolarHBondContact O-N 3Å; D144-S148 PolarHBondContact O-OG 3.46Å; L146-S148 PolarHBondContact O-N 2.94Å
149E85.1Confident77.2Confident131 Ų13163 Ų6361%0.61232%0.322SS*.Iπ-helixtrans-83.2-27.1-171.1-54176-172.700114.4D144 K145D144-E149 PolarHBondContact O-N 2.83Å; K145-E149 VanDerWaalsContact O-CB 3.32Å; K145-E149 WeakPolarHBondContact O-CB 2.83Å; K145-E149 PolarHBondContact O-N 3.43Å
150K83.6Confident75.1Confident123 Ų12370.9 Ų70.954%0.53536%0.357SS..Iπ-helixtrans-107.7-26-172.7-66.7-62.4-174.9-178.30114.9K145 L146K145-K150 WeakPolarHBondContact O-CG 3.44Å; K145-K150 PolarHBondContact O-N 2.97Å; K145-K150 VanDerWaalsContact O-N 3.1Å; L146-K150 HydrophobicContact CD1-CB 4.27Å; L146-K150 PolarHBondContact O-N 2.91Å
151S79.9Confident73.1Confident11 Ų1170.6 Ų70.68%0.07737%0.365CS..THydrogen-bonded Turntrans-122-6-171.862.60000114.2Y127 L146 C147 L153Y127-S151 WeakPolarHBondContact OH-CB 3.34Å; L146-S151 WeakPolarHBondContact O-CB 3.37Å; L146-S151 PolarHBondContact O-N 3.42Å; L146-S151 VanDerWaalsContact O-N 3.08Å; L146-S151 PolarHBondContact O-OG 3.35Å; C147-S151 VanDerWaalsContact CA-OG 3.31Å; C147-S151 WeakPolarHBondContact CA-OG 3.43Å; C147-S151 PolarHBondContact O-OG 3.01Å; S151-L153 PolarHBondContact O-N 3.07Å; S151-L153 WeakPolarHBondContact OG-CD1 3.43Å; S151-L153 VanDerWaalsContact OG-CG 3.3Å; S151-L153 WeakPolarHBondContact OG-CG 3.35Å
152D79.1Confident70.6Confident143 Ų14371.4 Ų71.477%0.76537%0.374SS*.  trans49.520.5-174.7-62.9-39.5000113.9C154D152-C154 VanDerWaalsContact C-N 3.29Å; D152-C154 PolarHBondContact O-N 3.43Å
153L80.9Confident67.9Low35 Ų3582.8 Ų82.818%0.18343%0.434CS..  trans-75-22.8-177.4-65.9178000112.4L11 G12 C15 I123 Y127 C147 S151L11-L153 HydrophobicContact CB-CD1 4.23Å; L11-L153 HydrophobicContact CB-CD2 3.7Å; L11-L153 HydrophobicContact CB-CG 4.49Å; L11-L153 HydrophobicContact CD1-CD2 4.3Å; G12-L153 VanDerWaalsContact CA-O 3.29Å; G12-L153 WeakPolarHBondContact CA-O 3.28Å; C15-L153 HydrophobicContact CB-CD1 3.87Å; I123-L153 HydrophobicContact CD1-CD1 4.4Å; I123-L153 HydrophobicContact CG1-CD1 4.26Å; Y127-L153 HydrophobicContact CE2-CD1 4.39Å; C147-L153 CarbonylContact O-C 3.59Å; C147-L153 PolarHBondContact O-N 3.45Å; C147-L153 VanDerWaalsContact O-N 3.08Å; S151-L153 PolarHBondContact O-N 3.07Å; S151-L153 WeakPolarHBondContact OG-CD1 3.43Å; S151-L153 VanDerWaalsContact OG-CG 3.3Å; S151-L153 WeakPolarHBondContact OG-CG 3.35Å
154C80.8Confident66.9Low5 Ų586.6 Ų86.63%0.03445%0.453CS..EExtended strand (participates in β ladder)trans-123.8133.5176.3-61.30000109.7C6 C147 D152 T156C6-C154 HydrophobicContact CB-CB 3.99Å; C6-C154 WeakPolarHBondContact CB-SG 3.43Å; C6-C154 WeakPolarHBondContact SG-CB 2.95Å; C6-C154 CovalentContact SG-SG 2.01Å; C6-C154 PolarHBondContact SG-SG 2.84Å; C147-C154 HydrophobicContact CB-CB 4.43Å; C147-C154 WeakPolarHBondContact O-CB 3.32Å; C147-C154 PolarHBondContact O-N 3.21Å; D152-C154 VanDerWaalsContact C-N 3.29Å; D152-C154 PolarHBondContact O-N 3.43Å; C154-T156 PolarHBondContact O-N 3.04Å
155E73.4Confident65.8Low148 Ų14888.9 Ų88.969%0.69247%0.465SS*.EExtended strand (participates in β ladder)trans-74.3129.7172.9-69178.8-173.500108.7H4 T5 S157H4-E155 WeakPolarHBondContact CA-O 3.34Å; T5-E155 PolarHBondContact N-O 3.37Å; T5-E155 PolarHBondContact O-N 2.8Å; T5-E155 PolarHBondContact OG1-O 3.01Å; E155-S157 PolarHBondContact O-N 3.45Å
156T59.4Low64.4Low71 Ų7190.4 Ų90.444%0.43648%0.475SS..EExtended strand (participates in β ladder)trans-67.2122.4158.6-57.80000105.8V2 H4 C154 A158V2-T156 HydrophobicContact CG1-CG2 3.61Å; H4-T156 PolarHBondContact CE1-OG1 2.91Å; H4-T156 VanDerWaalsContact CE1-OG1 3.27Å; H4-T156 WeakPolarHBondContact ND1-CA 3.12Å; H4-T156 PolarHBondContact ND1-OG1 3.48Å; C154-T156 PolarHBondContact O-N 3.04Å; T156-A158 PolarHBondContact O-N 3.48Å
157S48.6Very low62.8Low46 Ų4695.8 Ų95.832%0.32250%0.503SS..  trans-66.778.3170.965.20000109.2A3 E155 N159A3-S157 VanDerWaalsContact O-CB 3.22Å; A3-S157 WeakPolarHBondContact O-CB 3.45Å; A3-S157 PolarHBondContact O-N 3.09Å; A3-S157 PolarHBondContact O-OG 3.41Å; E155-S157 PolarHBondContact O-N 3.45Å; S157-N159 VanDerWaalsContact C-N 3.3Å; S157-N159 PolarHBondContact O-N 2.65Å; S157-N159 VanDerWaalsContact O-N 3.11Å
158A39.2Very low61.1Low59 Ų59101.7 Ų101.749%0.48853%0.534SS..  trans-64.2105.7148.800000103.9T156 H160T156-A158 PolarHBondContact O-N 3.48Å; A158-H160 PolarHBondContact O-N 3.37Å
159N39.2Very low59.4Low145 Ų145108.1 Ų108.178%0.77557%0.567SS**  trans-54.686147.2-77.7-33.4000105.9S157 T161S157-N159 VanDerWaalsContact C-N 3.3Å; S157-N159 PolarHBondContact O-N 2.65Å; S157-N159 VanDerWaalsContact O-N 3.11Å; N159-T161 PolarHBondContact O-N 2.97Å
160H36.6Very low57.6Low171 Ų171106.4 Ų106.479%0.79256%0.564SS**  trans-7071.3157.8-89.6-79.8000106A158A158-H160 PolarHBondContact O-N 3.37Å
161T41.2Very low55.6Low118 Ų118105.2 Ų105.272%0.72457%0.566SS**  trans-81.4118.5146.3-48.80000104.5N159N159-T161 PolarHBondContact O-N 2.97Å
162E32.3Very low53.5Low173 Ų173113 Ų11381%0.80861%0.607SS**  trans143.4117.8166.4-84.5-179.7174.100107.1
163L31.6Very low51.2Low242 Ų242110.3 Ų110.3100%1.26759%0.593SS**  cis-158.700.9-162.195.6000106.5

Retrieved 163 of 163 residues in 166.2 ms (Link to these results)

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