A0A096LTC1_POEFO Loading...

Synaptonemal complex protein 2 Spt16M-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LTC1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M74.9Confident93.9Very high88 Ų8841.9 Ų41.943%0.43322%0.22SC..  0155.20-71.8179.456.600111.1G3 Q8 V60 N61 H64 R69M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.4Å; M1-Q8 HydrophobicContact CE-CG 3.92Å; M1-V60 HydrophobicContact CE-CG1 4.22Å; M1-V60 HydrophobicContact SD-CG1 3.45Å; M1-V60 WeakPolarHBondContact SD-CG1 3.36Å; M1-N61 WeakPolarHBondContact CE-OD1 3.43Å; M1-H64 VanDerWaalsContact SD-CD2 3.58Å; M1-R69 WeakPolarHBondContact O-CD 3.39Å; M1-R69 PolarHBondContact O-NH1 3.05Å
2V87.4Confident94Very high56 Ų5638.9 Ų38.934%0.33920%0.204SC..  trans-62.2-28.6-174166.50000113.6D4 F7 R69V2-D4 HydrophobicContact CG1-CB 4.41Å; V2-F7 HydrophobicContact CB-CD1 4.3Å; V2-F7 HydrophobicContact CG1-CB 4.23Å; V2-F7 HydrophobicContact CG1-CD1 3.17Å; V2-F7 HydrophobicContact CG1-CE1 3.62Å; V2-F7 HydrophobicContact CG1-CG 3.95Å; V2-F7 HydrophobicContact CG2-CD1 4.36Å; V2-F7 HydrophobicContact CG2-CE1 4.14Å; V2-R69 PolarHBondContact O-NH1 3.47Å
3G96.6Very high94.1Very high0 Ų038.7 Ų38.70%020%0.201CC..SBendtrans83.915.6177.200000115.3M1 R69 V70 N101 V102 G103M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.4Å; G3-R69 CarbonylContact C-O 3.59Å; G3-R69 WeakPolarHBondContact CA-O 3.49Å; G3-V70 VanDerWaalsContact C-CG2 3.42Å; G3-N101 CarbonylContact O-C 3.55Å; G3-N101 WeakPolarHBondContact O-CA 3.49Å; G3-N101 WeakPolarHBondContact O-CB 3.33Å; G3-V102 PolarHBondContact O-N 3.46Å; G3-G103 WeakPolarHBondContact O-CA 3.35Å; G3-G103 PolarHBondContact O-N 3.38Å
4D98.1Very high94.1Very high31 Ų3139 Ų3917%0.16621%0.212CC..  trans-131.9128.6172-176.1-83.9000109.2V2 E6 F7 Q8 S104V2-D4 HydrophobicContact CG1-CB 4.41Å; D4-E6 PolarHBondContact OD1-N 3.21Å; D4-E6 VanDerWaalsContact OD1-N 3.15Å; D4-F7 HydrophobicContact CB-CB 4.12Å; D4-F7 PolarHBondContact OD1-N 2.85Å; D4-Q8 WeakPolarHBondContact O-CB 3.19Å; D4-Q8 WeakPolarHBondContact O-CG 3.32Å; D4-Q8 PolarHBondContact O-N 3.24Å; D4-Q8 PolarHBondContact O-NE2 2.62Å; D4-S104 VanDerWaalsContact OD2-CB 3.26Å; D4-S104 WeakPolarHBondContact OD2-CB 3.44Å; D4-S104 PolarHBondContact OD2-OG 3.28Å
5Y98Very high94Very high7 Ų739.6 Ų39.63%0.02722%0.215CC..Hα-helixtrans-68.5-46.4-174.3-179.7-93.4000111.7F7 Q8 V9 R54 L57 V70 D99 N101 F110Y5-F7 VanDerWaalsContact C-N 3.32Å; Y5-F7 PolarHBondContact O-N 2.88Å; Y5-Q8 WeakPolarHBondContact O-CA 3.49Å; Y5-Q8 WeakPolarHBondContact O-CB 3.37Å; Y5-Q8 PolarHBondContact O-N 2.84Å; Y5-Q8 VanDerWaalsContact O-N 3.1Å; Y5-V9 HydrophobicContact CD1-CG2 3.93Å; Y5-V9 HydrophobicContact CE1-CG2 3.29Å; Y5-V9 HydrophobicContact CE2-CG2 4.27Å; Y5-V9 VanDerWaalsContact CZ-CG2 3.47Å; Y5-V9 WeakPolarHBondContact O-CG2 3.48Å; Y5-V9 PolarHBondContact O-N 3.36Å; Y5-R54 VanDerWaalsContact CE2-CZ 3.41Å; Y5-R54 VanDerWaalsContact CZ-NH2 3.26Å; Y5-R54 WeakPolarHBondContact OH-CA 3.33Å; Y5-R54 PolarHBondContact OH-NE 3.4Å; Y5-L57 HydrophobicContact CD2-CB 4.49Å; Y5-L57 HydrophobicContact CD2-CD1 4.18Å; Y5-L57 HydrophobicContact CE2-CB 3.8Å; Y5-L57 HydrophobicContact CE2-CD1 3.57Å; Y5-L57 HydrophobicContact CE2-CG 4.35Å; Y5-V70 HydrophobicContact CD2-CG1 4.43Å; Y5-D99 WeakPolarHBondContact CD1-OD2 3.4Å; Y5-D99 HydrophobicContact CG-CB 4.24Å; Y5-N101 WeakPolarHBondContact CB-OD1 3.41Å; Y5-N101 PolarHBondContact N-OD1 3.29Å; Y5-F110 HydrophobicContact CE1-CE2 4.29Å
6E96.2Very high94Very high12 Ų1237.3 Ų37.36%0.05620%0.203CC..Hα-helixtrans-64.7-40.8-178.2-65.3-169.4-145.800110.8D4 Q8 V9 S10 F110 H123 Y244D4-E6 PolarHBondContact OD1-N 3.21Å; D4-E6 VanDerWaalsContact OD1-N 3.15Å; E6-Q8 VanDerWaalsContact C-N 3.34Å; E6-Q8 PolarHBondContact O-N 2.92Å; E6-V9 WeakPolarHBondContact O-CB 3.22Å; E6-V9 PolarHBondContact O-N 3.12Å; E6-S10 PolarHBondContact O-N 3.48Å; E6-S10 PolarHBondContact O-OG 3.29Å; E6-F110 HydrophobicContact CG-CZ 4.07Å; E6-H123 IonicContact OE1-CD2 3.4Å; E6-H123 IonicContact OE1-CE1 2.66Å; E6-H123 IonicContact OE1-NE2 2.82Å; E6-H123 PolarHBondContact OE1-NE2 2.94Å; E6-H123 IonicContact OE2-NE2 2.74Å; E6-Y244 WeakPolarHBondContact CB-OH 3.4Å; E6-Y244 VanDerWaalsContact CG-OH 3.3Å; E6-Y244 WeakPolarHBondContact CG-OH 3.43Å
7F96.8Very high93.8Very high113 Ų11341.8 Ų41.850%0.49622%0.216SC..Hα-helixtrans-67.1-34.7174.3-169.6-168.9000112.1V2 D4 Y5 V9 S10 L11V2-F7 HydrophobicContact CB-CD1 4.3Å; V2-F7 HydrophobicContact CG1-CB 4.23Å; V2-F7 HydrophobicContact CG1-CD1 3.17Å; V2-F7 HydrophobicContact CG1-CE1 3.62Å; V2-F7 HydrophobicContact CG1-CG 3.95Å; V2-F7 HydrophobicContact CG2-CD1 4.36Å; V2-F7 HydrophobicContact CG2-CE1 4.14Å; D4-F7 HydrophobicContact CB-CB 4.12Å; D4-F7 PolarHBondContact OD1-N 2.85Å; Y5-F7 VanDerWaalsContact C-N 3.32Å; Y5-F7 PolarHBondContact O-N 2.88Å; F7-V9 VanDerWaalsContact C-N 3.34Å; F7-S10 PolarHBondContact O-N 2.91Å; F7-L11 WeakPolarHBondContact O-CB 3.28Å; F7-L11 PolarHBondContact O-N 3.39Å
8Q97.3Very high93.7Very high10 Ų1047.4 Ų47.45%0.04725%0.245CC..Hα-helixtrans-61.7-41.9171.2-76.8165.732.500112.2M1 D4 Y5 E6 L11 L12 L57 N61M1-Q8 HydrophobicContact CE-CG 3.92Å; D4-Q8 WeakPolarHBondContact O-CB 3.19Å; D4-Q8 WeakPolarHBondContact O-CG 3.32Å; D4-Q8 PolarHBondContact O-N 3.24Å; D4-Q8 PolarHBondContact O-NE2 2.62Å; Y5-Q8 WeakPolarHBondContact O-CA 3.49Å; Y5-Q8 WeakPolarHBondContact O-CB 3.37Å; Y5-Q8 PolarHBondContact O-N 2.84Å; Y5-Q8 VanDerWaalsContact O-N 3.1Å; E6-Q8 VanDerWaalsContact C-N 3.34Å; E6-Q8 PolarHBondContact O-N 2.92Å; Q8-L11 PolarHBondContact O-N 3.28Å; Q8-L12 VanDerWaalsContact O-CB 3.31Å; Q8-L12 WeakPolarHBondContact O-CB 3.38Å; Q8-L12 PolarHBondContact O-N 3.28Å; Q8-L57 HydrophobicContact CB-CD1 3.9Å; Q8-L57 HydrophobicContact CB-CD2 3.9Å; Q8-N61 PolarHBondContact OE1-ND2 3.06Å
9V96.1Very high93.6Very high3 Ų345.3 Ų45.32%0.01824%0.235CC..Hα-helixtrans-60.4-50.2174.8174.30000110.2Y5 E6 F7 L11 L12 E13 F49 L57 Y244Y5-V9 HydrophobicContact CD1-CG2 3.93Å; Y5-V9 HydrophobicContact CE1-CG2 3.29Å; Y5-V9 HydrophobicContact CE2-CG2 4.27Å; Y5-V9 VanDerWaalsContact CZ-CG2 3.47Å; Y5-V9 WeakPolarHBondContact O-CG2 3.48Å; Y5-V9 PolarHBondContact O-N 3.36Å; E6-V9 WeakPolarHBondContact O-CB 3.22Å; E6-V9 PolarHBondContact O-N 3.12Å; F7-V9 VanDerWaalsContact C-N 3.34Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.89Å; V9-L12 PolarHBondContact O-N 3.31Å; V9-E13 WeakPolarHBondContact O-CB 3.38Å; V9-E13 PolarHBondContact O-N 3.38Å; V9-F49 HydrophobicContact CG1-CE1 4.36Å; V9-L57 HydrophobicContact CB-CD1 4.44Å; V9-L57 HydrophobicContact CG2-CD1 3.59Å; V9-Y244 HydrophobicContact CG1-CE1 4.04Å
10S95.9Very high93.3Very high54 Ų5446 Ų4638%0.37824%0.242SC..Hα-helixtrans-61.1-40.6-179.8-57.30000112.7E6 F7 A14E6-S10 PolarHBondContact O-N 3.48Å; E6-S10 PolarHBondContact O-OG 3.29Å; F7-S10 PolarHBondContact O-N 2.91Å; S10-A14 WeakPolarHBondContact O-CB 3.47Å; S10-A14 PolarHBondContact O-N 3.5Å
11L95.3Very high93Very high87 Ų8749.3 Ų49.346%0.45525%0.252SS..Hα-helixtrans-64.8-44.4176.2179.962.2000111.2F7 Q8 V9 A14 L15F7-L11 WeakPolarHBondContact O-CB 3.28Å; F7-L11 PolarHBondContact O-N 3.39Å; Q8-L11 PolarHBondContact O-N 3.28Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 2.89Å; L11-A14 PolarHBondContact O-N 2.86Å; L11-L15 HydrophobicContact CG-CD1 4.48Å; L11-L15 WeakPolarHBondContact O-CG 3.27Å; L11-L15 PolarHBondContact O-N 3.26Å
12L95.4Very high93.6Very high6 Ų655.2 Ų55.23%0.03127%0.269CS..Hα-helixtrans-65.7-41.3179.1-174.261.4000111.7Q8 V9 A14 L15 C16 F41 I44 F49 C53 F56 L57Q8-L12 VanDerWaalsContact O-CB 3.31Å; Q8-L12 WeakPolarHBondContact O-CB 3.38Å; Q8-L12 PolarHBondContact O-N 3.28Å; V9-L12 PolarHBondContact O-N 3.31Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.21Å; L12-L15 PolarHBondContact O-N 3.11Å; L12-C16 WeakPolarHBondContact O-CB 3.35Å; L12-C16 PolarHBondContact O-N 2.75Å; L12-C16 PolarHBondContact O-SG 3.41Å; L12-C16 VanDerWaalsContact O-SG 3.4Å; L12-F41 HydrophobicContact CD1-CD2 3.8Å; L12-F41 HydrophobicContact CD1-CE2 3.59Å; L12-I44 HydrophobicContact CD1-CD1 3.99Å; L12-I44 HydrophobicContact CD2-CD1 3.81Å; L12-I44 HydrophobicContact CG-CD1 4.19Å; L12-F49 HydrophobicContact CG-CE2 4.43Å; L12-F49 HydrophobicContact CG-CZ 4.47Å; L12-C53 HydrophobicContact CD2-CB 4.23Å; L12-F56 HydrophobicContact CD1-CD1 4.16Å; L12-F56 HydrophobicContact CD1-CE1 3.83Å; L12-F56 HydrophobicContact CD2-CD1 3.42Å; L12-F56 VanDerWaalsContact CD2-CD1 3.42Å; L12-F56 HydrophobicContact CD2-CE1 3.91Å; L12-F56 HydrophobicContact CD2-CG 4.34Å; L12-F56 HydrophobicContact CG-CD1 4.46Å; L12-L57 HydrophobicContact CD2-CD2 4.23Å; L12-L57 HydrophobicContact CD2-CG 4.16Å
13E94.9Very high93.9Very high36 Ų3655.4 Ų55.417%0.16827%0.266CS..Hα-helixtrans-59.6-47.8175-170.7-171.3170.300110.6V9 L15 C16 R17 F49 W248V9-E13 WeakPolarHBondContact O-CB 3.38Å; V9-E13 PolarHBondContact O-N 3.38Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.76Å; E13-C16 PolarHBondContact O-N 3.14Å; E13-R17 HydrophobicContact CG-CG 4.43Å; E13-R17 WeakPolarHBondContact O-CB 3.36Å; E13-R17 WeakPolarHBondContact O-CG 3.17Å; E13-R17 PolarHBondContact O-N 2.99Å; E13-R17 IonicContact OE1-CZ 2.71Å; E13-R17 IonicContact OE1-NE 2.72Å; E13-R17 PolarHBondContact OE1-NE 2.96Å; E13-R17 IonicContact OE1-NH2 3.89Å; E13-R17 PolarHBondContact OE1-NH2 2.85Å; E13-F49 HydrophobicContact CB-CE1 3.8Å; E13-F49 HydrophobicContact CB-CE2 4.41Å; E13-F49 HydrophobicContact CB-CZ 3.55Å; E13-F49 HydrophobicContact CG-CE1 3.94Å; E13-F49 HydrophobicContact CG-CZ 4.01Å; E13-W248 HydrophobicContact CG-CZ2 4.38Å
14A94.5Very high93.7Very high43 Ų4355.5 Ų55.536%0.35527%0.266SS..Hα-helixtrans-57.8-44.8176.400000111.4S10 L11 L12 C16 R17 L18S10-A14 WeakPolarHBondContact O-CB 3.47Å; S10-A14 PolarHBondContact O-N 3.5Å; L11-A14 PolarHBondContact O-N 2.86Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.21Å; A14-C16 PolarHBondContact O-N 3.25Å; A14-R17 PolarHBondContact O-N 3.48Å; A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.8Å
15L93.1Very high93.5Very high48 Ų4860.6 Ų60.625%0.25129%0.289SS..Hα-helixtrans-60.8-45.1175.8-70.7172.2000112.1L11 L12 E13 L18 T19 W31L11-L15 HydrophobicContact CG-CD1 4.48Å; L11-L15 WeakPolarHBondContact O-CG 3.27Å; L11-L15 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.11Å; E13-L15 VanDerWaalsContact C-N 3.32Å; E13-L15 PolarHBondContact O-N 2.76Å; L15-L18 PolarHBondContact O-N 3.37Å; L15-T19 WeakPolarHBondContact O-CB 3.49Å; L15-T19 PolarHBondContact O-N 3.04Å; L15-T19 PolarHBondContact O-OG1 2.73Å; L15-W31 HydrophobicContact CB-CZ3 4.41Å; L15-W31 HydrophobicContact CD2-CH2 3.86Å; L15-W31 HydrophobicContact CD2-CZ2 4.27Å; L15-W31 HydrophobicContact CD2-CZ3 4.13Å
16C93Very high93.3Very high3 Ų366.1 Ų66.12%0.0232%0.316CS..Hα-helixtrans-67-35.4179.4-72.80000112.8L12 E13 A14 T19 R24 F49L12-C16 WeakPolarHBondContact O-CB 3.35Å; L12-C16 PolarHBondContact O-N 2.75Å; L12-C16 PolarHBondContact O-SG 3.41Å; L12-C16 VanDerWaalsContact O-SG 3.4Å; E13-C16 PolarHBondContact O-N 3.14Å; A14-C16 PolarHBondContact O-N 3.25Å; C16-T19 VanDerWaalsContact O-O 3.04Å; C16-R24 PolarHBondContact O-NH2 3.01Å; C16-F49 HydrophobicContact CB-CD2 4.47Å; C16-F49 HydrophobicContact CB-CE2 4.08Å
17R91.5Very high93.2Very high113 Ų11370.3 Ų70.343%0.42633%0.331SS..Hα-helixtrans-71.5-37.4174.6-73.2-175.7-177.3-79.9-2112.5E13 A14 T19 W248E13-R17 HydrophobicContact CG-CG 4.43Å; E13-R17 WeakPolarHBondContact O-CB 3.36Å; E13-R17 WeakPolarHBondContact O-CG 3.17Å; E13-R17 PolarHBondContact O-N 2.99Å; E13-R17 IonicContact OE1-CZ 2.71Å; E13-R17 IonicContact OE1-NE 2.72Å; E13-R17 PolarHBondContact OE1-NE 2.96Å; E13-R17 IonicContact OE1-NH2 3.89Å; E13-R17 PolarHBondContact OE1-NH2 2.85Å; A14-R17 PolarHBondContact O-N 3.48Å; R17-T19 VanDerWaalsContact C-N 3.32Å; R17-W248 HydrophobicContact CG-CH2 3.83Å; R17-W248 HydrophobicContact CG-CZ2 4.1Å
18L91.8Very high93.1Very high143 Ų14364.9 Ų64.975%0.74931%0.307SS*.Hα-helixtrans-80.9-13.4178.8-66.4172.7000113.2A14 L15A14-L18 VanDerWaalsContact O-CB 3.31Å; A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.8Å; L15-L18 PolarHBondContact O-N 3.37Å
19T91.3Very high93Very high8 Ų868.5 Ų68.55%0.04933%0.327CS..SBendtrans-126.696.3-176.6-51.30000110.5L15 C16 R17 E23 R24 R27 W31L15-T19 WeakPolarHBondContact O-CB 3.49Å; L15-T19 PolarHBondContact O-N 3.04Å; L15-T19 PolarHBondContact O-OG1 2.73Å; C16-T19 VanDerWaalsContact O-O 3.04Å; R17-T19 VanDerWaalsContact C-N 3.32Å; T19-E23 HydrophobicContact CG2-CB 4.05Å; T19-R24 HydrophobicContact CG2-CG 3.94Å; T19-R24 PolarHBondContact O-NE 2.95Å; T19-R24 VanDerWaalsContact O-NE 3.15Å; T19-R27 HydrophobicContact CG2-CB 4.04Å; T19-R27 HydrophobicContact CG2-CG 3.59Å; T19-W31 HydrophobicContact CG2-CH2 4.33Å; T19-W31 VanDerWaalsContact OG1-CH2 3.3Å; T19-W31 WeakPolarHBondContact OG1-CH2 3.42Å
20P86.9Confident92.9Very high58 Ų5873.7 Ų73.738%0.37735%0.351SS..  trans-52.6147.8176.7-24.833.7000111.4R22 E23 R24P20-R22 HydrophobicContact CB-CG 4.49Å; P20-R22 PolarHBondContact O-N 3.29Å; P20-E23 PolarHBondContact O-N 3.11Å; P20-R24 PolarHBondContact O-N 3.12Å
21R87.3Confident92.7Very high117 Ų11775.6 Ų75.644%0.44235%0.35SS..G310 helixtrans-49.6-39.3-174.1-169.2173.2-17983.13.3113.9E23 R24 I44R21-E23 PolarHBondContact O-N 2.66Å; R21-R24 PolarHBondContact O-N 3.36Å; R21-I44 PolarHBondContact NH1-O 3.49Å
22R88.8Confident92.7Very high212 Ų21273.7 Ų73.780%0.834%0.338SS*.G310 helixtrans-63.6-21.3179.175.9-169.5178.4-178.7-3114.6P20P20-R22 HydrophobicContact CB-CG 4.49Å; P20-R22 PolarHBondContact O-N 3.29Å
23E93Very high92.5Very high59 Ų5981.3 Ų81.328%0.27638%0.378SS..G310 helixtrans-102-10.7-178.3-68.6169.3-138.500112.2T19 P20 R21 E25 Q26 R27T19-E23 HydrophobicContact CG2-CB 4.05Å; P20-E23 PolarHBondContact O-N 3.11Å; R21-E23 PolarHBondContact O-N 2.66Å; E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 2.91Å; E23-Q26 PolarHBondContact O-N 2.96Å; E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-N 2.89Å
24R92.3Very high92.5Very high2 Ų280.3 Ų80.31%0.00838%0.375CS..Hα-helixtrans-59.6-40.9-174.2-73.9-175-171.9160.97.3112.8C16 T19 P20 R21 R27 A28 F41 I44 D46C16-R24 PolarHBondContact O-NH2 3.01Å; T19-R24 HydrophobicContact CG2-CG 3.94Å; T19-R24 PolarHBondContact O-NE 2.95Å; T19-R24 VanDerWaalsContact O-NE 3.15Å; P20-R24 PolarHBondContact O-N 3.12Å; R21-R24 PolarHBondContact O-N 3.36Å; R24-R27 PolarHBondContact O-N 3.49Å; R24-A28 WeakPolarHBondContact O-CB 3.17Å; R24-A28 PolarHBondContact O-N 2.87Å; R24-F41 HydrophobicContact CB-CD1 4.47Å; R24-F41 HydrophobicContact CB-CE1 3.92Å; R24-F41 HydrophobicContact CG-CE1 3.99Å; R24-F41 HydrophobicContact CG-CZ 4.45Å; R24-I44 PolarHBondContact NH1-O 3.03Å; R24-D46 IonicContact CZ-OD1 3.54Å; R24-D46 IonicContact NH1-OD1 3.32Å; R24-D46 PolarHBondContact NH1-OD1 2.94Å; R24-D46 IonicContact NH2-OD1 3.52Å; R24-D46 PolarHBondContact NH2-OD1 2.83Å; R24-D46 IonicContact NH2-OD2 3.72Å
25E93.4Very high92.5Very high139 Ų13981.5 Ų81.565%0.6538%0.381SS*.Hα-helixtrans-61.7-48.5179.2-174.5178.2-168.900111.8E23 R27 A28 N29E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 2.91Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.49Å; E25-A28 PolarHBondContact O-N 3.35Å; E25-N29 PolarHBondContact O-N 3.09Å; E25-N29 VanDerWaalsContact O-N 3.15Å; E25-N29 PolarHBondContact O-ND2 3.03Å; E25-N29 VanDerWaalsContact O-ND2 3.15Å
26Q94.6Very high92.6Very high123 Ų12383.4 Ų83.458%0.57539%0.392SS*.Hα-helixtrans-61.8-41.9177.3-174.5-174.80.900111.6E23E23-Q26 PolarHBondContact O-N 2.96Å
27R94.6Very high92.8Very high99 Ų9983.9 Ų83.937%0.37439%0.394SS..Hα-helixtrans-69.7-40.7178.4-68.8-57.9-173.3178.12.7112.6T19 E23 R24 E25 N29 Q30 W31T19-R27 HydrophobicContact CG2-CB 4.04Å; T19-R27 HydrophobicContact CG2-CG 3.59Å; E23-R27 WeakPolarHBondContact O-CG 3.44Å; E23-R27 PolarHBondContact O-N 2.89Å; R24-R27 PolarHBondContact O-N 3.49Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.49Å; R27-N29 VanDerWaalsContact C-N 3.25Å; R27-N29 PolarHBondContact O-N 2.88Å; R27-Q30 WeakPolarHBondContact O-CA 3.37Å; R27-Q30 WeakPolarHBondContact O-CB 3.39Å; R27-Q30 PolarHBondContact O-N 2.86Å; R27-W31 HydrophobicContact CB-CD2 4.08Å; R27-W31 HydrophobicContact CB-CE3 4.02Å; R27-W31 HydrophobicContact CB-CH2 3.71Å; R27-W31 HydrophobicContact CB-CZ2 3.73Å; R27-W31 HydrophobicContact CB-CZ3 3.84Å; R27-W31 HydrophobicContact CG-CH2 4.11Å; R27-W31 HydrophobicContact CG-CZ2 3.96Å; R27-W31 VanDerWaalsContact O-CG 3.26Å; R27-W31 PolarHBondContact O-N 3.33Å
28A94.4Very high93Very high0 Ų081.9 Ų81.90%039%0.386CS..Hα-helixtrans-57.5-41.617700000111.1R24 E25 Q30 W31 F32 R38 F41R24-A28 WeakPolarHBondContact O-CB 3.17Å; R24-A28 PolarHBondContact O-N 2.87Å; E25-A28 PolarHBondContact O-N 3.35Å; A28-Q30 PolarHBondContact O-N 2.86Å; A28-W31 PolarHBondContact O-N 3.48Å; A28-F32 HydrophobicContact CB-CD2 4.21Å; A28-F32 PolarHBondContact O-N 2.94Å; A28-R38 HydrophobicContact CB-CB 4.07Å; A28-R38 HydrophobicContact CB-CG 3.97Å; A28-R38 WeakPolarHBondContact O-CD 3.35Å; A28-R38 WeakPolarHBondContact O-CG 3.43Å; A28-F41 HydrophobicContact CB-CD1 3.87Å; A28-F41 HydrophobicContact CB-CE1 4.49Å
29N94.3Very high93.1Very high86 Ų8678.5 Ų78.546%0.4637%0.374SS..Hα-helixtrans-59.1-23.3173.8-71-34.4000114.3E25 R27 R38E25-N29 PolarHBondContact O-N 3.09Å; E25-N29 VanDerWaalsContact O-N 3.15Å; E25-N29 PolarHBondContact O-ND2 3.03Å; E25-N29 VanDerWaalsContact O-ND2 3.15Å; R27-N29 VanDerWaalsContact C-N 3.25Å; R27-N29 PolarHBondContact O-N 2.88Å; N29-R38 VanDerWaalsContact OD1-CD 3.31Å; N29-R38 WeakPolarHBondContact OD1-CD 3.4Å; N29-R38 PolarHBondContact OD1-NH1 2.87Å
30Q94Very high93.2Very high111 Ų11179.8 Ų79.852%0.51938%0.382SS..Hα-helixtrans-94.3-26.5178.1-63.2170.710.300112.6R27 A28R27-Q30 WeakPolarHBondContact O-CA 3.37Å; R27-Q30 WeakPolarHBondContact O-CB 3.39Å; R27-Q30 PolarHBondContact O-N 2.86Å; A28-Q30 PolarHBondContact O-N 2.86Å
31W93.2Very high93.6Very high94 Ų9477 Ų7736%0.35636%0.364SS..Hα-helixtrans-97.9-27.8-171.9-61.1-22000114L15 T19 R27 A28 F41L15-W31 HydrophobicContact CB-CZ3 4.41Å; L15-W31 HydrophobicContact CD2-CH2 3.86Å; L15-W31 HydrophobicContact CD2-CZ2 4.27Å; L15-W31 HydrophobicContact CD2-CZ3 4.13Å; T19-W31 HydrophobicContact CG2-CH2 4.33Å; T19-W31 VanDerWaalsContact OG1-CH2 3.3Å; T19-W31 WeakPolarHBondContact OG1-CH2 3.42Å; R27-W31 HydrophobicContact CB-CD2 4.08Å; R27-W31 HydrophobicContact CB-CE3 4.02Å; R27-W31 HydrophobicContact CB-CH2 3.71Å; R27-W31 HydrophobicContact CB-CZ2 3.73Å; R27-W31 HydrophobicContact CB-CZ3 3.84Å; R27-W31 HydrophobicContact CG-CH2 4.11Å; R27-W31 HydrophobicContact CG-CZ2 3.96Å; R27-W31 VanDerWaalsContact O-CG 3.26Å; R27-W31 PolarHBondContact O-N 3.33Å; A28-W31 PolarHBondContact O-N 3.48Å; W31-F41 HydrophobicContact CE3-CE1 4.37Å; W31-F41 HydrophobicContact CE3-CZ 4.31Å; W31-F41 HydrophobicContact CZ3-CE1 4.02Å; W31-F41 AromaticContact CZ3-CZ 3.73Å; W31-F41 HydrophobicContact CZ3-CZ 3.73Å
32F93.8Very high94Very high48 Ų4873 Ų7321%0.21135%0.354CS..  trans-129.2126.5-173.1-51.2-66.4000110.7A28 I37 R38 F41 F56A28-F32 HydrophobicContact CB-CD2 4.21Å; A28-F32 PolarHBondContact O-N 2.94Å; F32-I37 HydrophobicContact CB-CB 4.38Å; F32-I37 HydrophobicContact CB-CG2 4Å; F32-I37 HydrophobicContact CD1-CG2 3.64Å; F32-I37 HydrophobicContact CD2-CG2 4.1Å; F32-I37 HydrophobicContact CE1-CG2 4.08Å; F32-I37 HydrophobicContact CG-CG2 3.65Å; F32-I37 HydrophobicContact CZ-CG2 4.49Å; F32-R38 HydrophobicContact CB-CG 3.74Å; F32-R38 HydrophobicContact CD2-CG 4.33Å; F32-R38 VanDerWaalsContact O-CD 3.24Å; F32-R38 WeakPolarHBondContact O-CD 3.07Å; F32-R38 PolarHBondContact O-NE 2.88Å; F32-F41 HydrophobicContact CE2-CB 3.97Å; F32-F41 HydrophobicContact CE2-CD1 4.15Å; F32-F41 HydrophobicContact CE2-CD2 4.01Å; F32-F41 AromaticContact CE2-CG 3.76Å; F32-F41 HydrophobicContact CE2-CG 3.76Å; F32-F41 HydrophobicContact CZ-CD2 4.3Å; F32-F41 HydrophobicContact CZ-CG 4.48Å; F32-F56 HydrophobicContact CZ-CZ 4.28Å
33D92.7Very high94.2Very high165 Ų16567.3 Ų67.388%0.88234%0.34SS*.SBendtrans-70.8-39.8176.8-59.3-41.5000111.4S35 R38D33-S35 PolarHBondContact O-N 3.27Å; D33-R38 PolarHBondContact O-NH2 3.47Å
34S94.9Very high94.3Very high15 Ų1564.6 Ų64.611%0.10533%0.327CS..  trans-70.3126.2-178171.90000112D36 I37 R38 Y63S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 3.31Å; S34-D36 PolarHBondContact OG-N 3.2Å; S34-I37 PolarHBondContact O-N 3.05Å; S34-I37 PolarHBondContact OG-N 2.95Å; S34-R38 VanDerWaalsContact O-CG 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.25Å; S34-R38 PolarHBondContact O-N 2.8Å; S34-R38 VanDerWaalsContact O-N 3.09Å; S34-R38 PolarHBondContact O-NE 2.93Å; S34-Y63 WeakPolarHBondContact CB-OH 3.2Å; S34-Y63 PolarHBondContact OG-OH 2.81Å
35S94.8Very high94.2Very high69 Ų6969.2 Ų69.248%0.48334%0.344SS..Hα-helixtrans-60.7-35.7172.850.30000112.7D33 R38 S39D33-S35 PolarHBondContact O-N 3.27Å; S35-R38 WeakPolarHBondContact O-CB 3.11Å; S35-R38 PolarHBondContact O-N 3.4Å; S35-S39 PolarHBondContact O-N 3.04Å
36D94.9Very high94Very high88 Ų8865.1 Ų65.147%0.47133%0.327SS..Hα-helixtrans-68.8-46.1-177.9-55-30.8000110.2S34 R38 S39 T40 F59S34-D36 VanDerWaalsContact C-N 3.26Å; S34-D36 PolarHBondContact O-N 3.31Å; S34-D36 PolarHBondContact OG-N 3.2Å; D36-R38 VanDerWaalsContact C-N 3.29Å; D36-R38 PolarHBondContact O-N 2.92Å; D36-S39 PolarHBondContact O-N 3.43Å; D36-T40 PolarHBondContact O-N 3.17Å; D36-T40 PolarHBondContact O-OG1 2.83Å; D36-F59 HydrophobicContact CB-CE1 4.2Å; D36-F59 HydrophobicContact CB-CZ 3.68Å
37I95.6Very high93.8Very high12 Ų1263.5 Ų63.56%0.06233%0.334CS..Hα-helixtrans-60.3-42175.1-62.5178.6000110.5F32 S34 T40 F41 F56 F59 V60 Y63F32-I37 HydrophobicContact CB-CB 4.38Å; F32-I37 HydrophobicContact CB-CG2 4Å; F32-I37 HydrophobicContact CD1-CG2 3.64Å; F32-I37 HydrophobicContact CD2-CG2 4.1Å; F32-I37 HydrophobicContact CE1-CG2 4.08Å; F32-I37 HydrophobicContact CG-CG2 3.65Å; F32-I37 HydrophobicContact CZ-CG2 4.49Å; S34-I37 PolarHBondContact O-N 3.05Å; S34-I37 PolarHBondContact OG-N 2.95Å; I37-T40 PolarHBondContact O-N 2.91Å; I37-F41 WeakPolarHBondContact O-CB 3.19Å; I37-F41 PolarHBondContact O-N 3.02Å; I37-F56 HydrophobicContact CG2-CE2 4.02Å; I37-F56 HydrophobicContact CG2-CZ 4.14Å; I37-F59 HydrophobicContact CG1-CE1 3.87Å; I37-V60 HydrophobicContact CD1-CG1 4.48Å; I37-V60 HydrophobicContact CG1-CG2 4.35Å; I37-V60 HydrophobicContact CG2-CG2 4.05Å; I37-Y63 HydrophobicContact CD1-CD1 3.74Å; I37-Y63 HydrophobicContact CD1-CE1 3.98Å; I37-Y63 HydrophobicContact CD1-CG 4.18Å; I37-Y63 HydrophobicContact CG1-CD1 4.4Å; I37-Y63 HydrophobicContact CG1-CG 4.39Å
38R95.6Very high93.6Very high72 Ų7260.2 Ų60.227%0.27232%0.324SS..Hα-helixtrans-59.3-48.4176.3-72.5-178.5-77.9161.3-10.3112A28 N29 F32 D33 S34 S35 D36 F41 C42A28-R38 HydrophobicContact CB-CB 4.07Å; A28-R38 HydrophobicContact CB-CG 3.97Å; A28-R38 WeakPolarHBondContact O-CD 3.35Å; A28-R38 WeakPolarHBondContact O-CG 3.43Å; N29-R38 VanDerWaalsContact OD1-CD 3.31Å; N29-R38 WeakPolarHBondContact OD1-CD 3.4Å; N29-R38 PolarHBondContact OD1-NH1 2.87Å; F32-R38 HydrophobicContact CB-CG 3.74Å; F32-R38 HydrophobicContact CD2-CG 4.33Å; F32-R38 VanDerWaalsContact O-CD 3.24Å; F32-R38 WeakPolarHBondContact O-CD 3.07Å; F32-R38 PolarHBondContact O-NE 2.88Å; D33-R38 PolarHBondContact O-NH2 3.47Å; S34-R38 VanDerWaalsContact O-CG 3.27Å; S34-R38 WeakPolarHBondContact O-CG 3.25Å; S34-R38 PolarHBondContact O-N 2.8Å; S34-R38 VanDerWaalsContact O-N 3.09Å; S34-R38 PolarHBondContact O-NE 2.93Å; S35-R38 WeakPolarHBondContact O-CB 3.11Å; S35-R38 PolarHBondContact O-N 3.4Å; D36-R38 VanDerWaalsContact C-N 3.29Å; D36-R38 PolarHBondContact O-N 2.92Å; R38-F41 PolarHBondContact O-N 2.85Å; R38-C42 PolarHBondContact O-N 3.35Å; R38-C42 VanDerWaalsContact O-N 3.09Å; R38-C42 PolarHBondContact O-SG 3.02Å
39S94.1Very high93.4Very high71 Ų7160.3 Ų60.350%0.49733%0.325SS..Hα-helixtrans-59.3-52.4179-1700000110.6S35 D36 F41 C42 D43S35-S39 PolarHBondContact O-N 3.04Å; D36-S39 PolarHBondContact O-N 3.43Å; S39-F41 VanDerWaalsContact C-N 3.29Å; S39-F41 PolarHBondContact O-N 3.31Å; S39-C42 WeakPolarHBondContact O-CB 3.36Å; S39-C42 PolarHBondContact O-N 3.41Å; S39-D43 PolarHBondContact O-N 2.93Å; S39-D43 VanDerWaalsContact O-N 3.12Å
40T94.8Very high93.2Very high35 Ų3558.9 Ų58.922%0.21532%0.315CS..Hα-helixtrans-64.8-33.1-177.9-45.90000112.2D36 I37 D43 F56 F59D36-T40 PolarHBondContact O-N 3.17Å; D36-T40 PolarHBondContact O-OG1 2.83Å; I37-T40 PolarHBondContact O-N 2.91Å; T40-D43 PolarHBondContact O-N 3.34Å; T40-F56 HydrophobicContact CG2-CB 4.26Å; T40-F56 HydrophobicContact CG2-CD2 3.81Å; T40-F59 HydrophobicContact CG2-CD1 4.36Å
41F95.6Very high93Very high0 Ų053.9 Ų53.90%029%0.292CS..Hα-helixtrans-63.7-42172.9175.7-100000111.8L12 R24 A28 W31 F32 I37 R38 S39 D43 I44 F56L12-F41 HydrophobicContact CD1-CD2 3.8Å; L12-F41 HydrophobicContact CD1-CE2 3.59Å; R24-F41 HydrophobicContact CB-CD1 4.47Å; R24-F41 HydrophobicContact CB-CE1 3.92Å; R24-F41 HydrophobicContact CG-CE1 3.99Å; R24-F41 HydrophobicContact CG-CZ 4.45Å; A28-F41 HydrophobicContact CB-CD1 3.87Å; A28-F41 HydrophobicContact CB-CE1 4.49Å; W31-F41 HydrophobicContact CE3-CE1 4.37Å; W31-F41 HydrophobicContact CE3-CZ 4.31Å; W31-F41 HydrophobicContact CZ3-CE1 4.02Å; W31-F41 AromaticContact CZ3-CZ 3.73Å; W31-F41 HydrophobicContact CZ3-CZ 3.73Å; F32-F41 HydrophobicContact CE2-CB 3.97Å; F32-F41 HydrophobicContact CE2-CD1 4.15Å; F32-F41 HydrophobicContact CE2-CD2 4.01Å; F32-F41 AromaticContact CE2-CG 3.76Å; F32-F41 HydrophobicContact CE2-CG 3.76Å; F32-F41 HydrophobicContact CZ-CD2 4.3Å; F32-F41 HydrophobicContact CZ-CG 4.48Å; I37-F41 WeakPolarHBondContact O-CB 3.19Å; I37-F41 PolarHBondContact O-N 3.02Å; R38-F41 PolarHBondContact O-N 2.85Å; S39-F41 VanDerWaalsContact C-N 3.29Å; S39-F41 PolarHBondContact O-N 3.31Å; F41-D43 PolarHBondContact O-N 2.92Å; F41-I44 HydrophobicContact CD2-CD1 3.93Å; F41-I44 HydrophobicContact CE2-CD1 4.42Å; F41-I44 WeakPolarHBondContact O-CB 3.35Å; F41-I44 WeakPolarHBondContact O-CG1 3.4Å; F41-I44 PolarHBondContact O-N 3.46Å; F41-F56 HydrophobicContact CB-CD2 4.23Å; F41-F56 HydrophobicContact CB-CE2 3.57Å; F41-F56 HydrophobicContact CB-CZ 4.04Å; F41-F56 HydrophobicContact CD2-CE2 4.38Å; F41-F56 HydrophobicContact CD2-CZ 4.11Å; F41-F56 HydrophobicContact CG-CE2 4.49Å
42C94.2Very high93.1Very high32 Ų3250 Ų5022%0.21628%0.279CS..Hα-helixtrans-67.1-25.6179-64.50000112.7R38 S39 I44R38-C42 PolarHBondContact O-N 3.35Å; R38-C42 VanDerWaalsContact O-N 3.09Å; R38-C42 PolarHBondContact O-SG 3.02Å; S39-C42 WeakPolarHBondContact O-CB 3.36Å; S39-C42 PolarHBondContact O-N 3.41Å; C42-I44 VanDerWaalsContact C-N 3.27Å; C42-I44 PolarHBondContact O-N 2.93Å
43D93.9Very high93.1Very high94 Ų9447.8 Ų47.850%0.50327%0.269SS..Hα-helixtrans-71.7-18.4177.8-67.4-30.8000113.4S39 T40 F41 R45S39-D43 PolarHBondContact O-N 2.93Å; S39-D43 VanDerWaalsContact O-N 3.12Å; T40-D43 PolarHBondContact O-N 3.34Å; F41-D43 PolarHBondContact O-N 2.92Å; D43-R45 PolarHBondContact O-N 3.14Å; D43-R45 VanDerWaalsContact O-N 3.17Å
44I94.4Very high93.3Very high1 Ų140.6 Ų40.61%0.00523%0.229CC..  trans-61.7118.4180-60.2168.3000110.4L12 R21 R24 F41 C42 F49 D52 F56L12-I44 HydrophobicContact CD1-CD1 3.99Å; L12-I44 HydrophobicContact CD2-CD1 3.81Å; L12-I44 HydrophobicContact CG-CD1 4.19Å; R21-I44 PolarHBondContact NH1-O 3.49Å; R24-I44 PolarHBondContact NH1-O 3.03Å; F41-I44 HydrophobicContact CD2-CD1 3.93Å; F41-I44 HydrophobicContact CE2-CD1 4.42Å; F41-I44 WeakPolarHBondContact O-CB 3.35Å; F41-I44 WeakPolarHBondContact O-CG1 3.4Å; F41-I44 PolarHBondContact O-N 3.46Å; C42-I44 VanDerWaalsContact C-N 3.27Å; C42-I44 PolarHBondContact O-N 2.93Å; I44-F49 HydrophobicContact CG2-CD2 3.74Å; I44-F49 HydrophobicContact CG2-CE2 4.1Å; I44-D52 HydrophobicContact CB-CB 4.39Å; I44-D52 HydrophobicContact CG1-CB 4.43Å; I44-D52 HydrophobicContact CG2-CB 4.25Å; I44-F56 HydrophobicContact CD1-CB 3.97Å; I44-F56 HydrophobicContact CD1-CD1 4.09Å; I44-F56 HydrophobicContact CD1-CD2 4.25Å; I44-F56 HydrophobicContact CD1-CG 3.83Å; I44-F56 HydrophobicContact CG1-CB 4.18Å; I44-F56 HydrophobicContact CG1-CG 4.47Å
45R91.4Very high93.3Very high99 Ų9946.6 Ų46.637%0.37425%0.25SC..  trans-101.1137.6178.9-65.7161.9-63.2143.111.4111.2D43 A47 D48 F49 D52D43-R45 PolarHBondContact O-N 3.14Å; D43-R45 VanDerWaalsContact O-N 3.17Å; R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 3.02Å; R45-D48 HydrophobicContact CB-CB 4.39Å; R45-D48 IonicContact CZ-OD2 2.92Å; R45-D48 IonicContact NH1-OD2 3.21Å; R45-D48 PolarHBondContact NH1-OD2 3.4Å; R45-D48 IonicContact NH2-OD2 2.83Å; R45-D48 PolarHBondContact NH2-OD2 2.82Å; R45-D48 CarbonylContact O-C 3.25Å; R45-D48 VanDerWaalsContact O-C 3.25Å; R45-D48 PolarHBondContact O-N 3.32Å; R45-D48 VanDerWaalsContact O-N 3.08Å; R45-F49 WeakPolarHBondContact O-CA 3.24Å; R45-F49 PolarHBondContact O-N 2.81Å; R45-D52 WeakPolarHBondContact CB-OD2 3.29Å; R45-D52 IonicContact CZ-OD1 3.19Å; R45-D52 IonicContact CZ-OD2 3.02Å; R45-D52 VanDerWaalsContact CZ-OD2 3.32Å; R45-D52 PolarHBondContact N-OD2 3.04Å; R45-D52 IonicContact NE-OD2 3.11Å; R45-D52 PolarHBondContact NE-OD2 3.4Å; R45-D52 IonicContact NH2-OD1 2.65Å; R45-D52 PolarHBondContact NH2-OD1 2.89Å; R45-D52 IonicContact NH2-OD2 2.82Å; R45-D52 PolarHBondContact NH2-OD2 2.63Å
46D89.3Confident93.3Very high53 Ų5343.7 Ų43.728%0.28323%0.228SC..G310 helixtrans-62.7-40.3-178.2-63.5-0.5000111.6R24 D48 F49 W248R24-D46 IonicContact CZ-OD1 3.54Å; R24-D46 IonicContact NH1-OD1 3.32Å; R24-D46 PolarHBondContact NH1-OD1 2.94Å; R24-D46 IonicContact NH2-OD1 3.52Å; R24-D46 PolarHBondContact NH2-OD1 2.83Å; R24-D46 IonicContact NH2-OD2 3.72Å; D46-D48 PolarHBondContact O-N 2.96Å; D46-F49 PolarHBondContact O-N 3.06Å; D46-W248 HydrophobicContact CB-CE3 3.71Å; D46-W248 HydrophobicContact CB-CH2 4.32Å; D46-W248 HydrophobicContact CB-CZ3 3.57Å
47A89.4Confident93.4Very high89 Ų8939.8 Ų39.874%0.73621%0.207SC*.G310 helixtrans-66.6-22.7177.300000114R45R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 3.02Å
48D89.9Confident93.5Very high30 Ų3039.9 Ų39.916%0.1621%0.208CC..G310 helixtrans-124.228.3-177-75-18.7000111.1R45 D46 E50 V51 D52 K92R45-D48 HydrophobicContact CB-CB 4.39Å; R45-D48 IonicContact CZ-OD2 2.92Å; R45-D48 IonicContact NH1-OD2 3.21Å; R45-D48 PolarHBondContact NH1-OD2 3.4Å; R45-D48 IonicContact NH2-OD2 2.83Å; R45-D48 PolarHBondContact NH2-OD2 2.82Å; R45-D48 CarbonylContact O-C 3.25Å; R45-D48 VanDerWaalsContact O-C 3.25Å; R45-D48 PolarHBondContact O-N 3.32Å; R45-D48 VanDerWaalsContact O-N 3.08Å; D46-D48 PolarHBondContact O-N 2.96Å; D48-E50 VanDerWaalsContact C-N 3.35Å; D48-E50 PolarHBondContact O-N 2.97Å; D48-V51 PolarHBondContact O-N 2.77Å; D48-V51 VanDerWaalsContact O-N 3.16Å; D48-D52 PolarHBondContact O-N 3.4Å; D48-K92 IonicContact OD1-NZ 3.42Å; D48-K92 PolarHBondContact OD1-NZ 3.23Å; D48-K92 IonicContact OD2-NZ 2.56Å; D48-K92 PolarHBondContact OD2-NZ 2.66Å
49F91.1Very high93.5Very high3 Ų339.7 Ų39.71%0.01321%0.209CC..Hα-helixtrans-54.8-48.2-166.2175.3-96.5000112.2V9 L12 E13 C16 I44 R45 D46 V51 D52 C53 W248V9-F49 HydrophobicContact CG1-CE1 4.36Å; L12-F49 HydrophobicContact CG-CE2 4.43Å; L12-F49 HydrophobicContact CG-CZ 4.47Å; E13-F49 HydrophobicContact CB-CE1 3.8Å; E13-F49 HydrophobicContact CB-CE2 4.41Å; E13-F49 HydrophobicContact CB-CZ 3.55Å; E13-F49 HydrophobicContact CG-CE1 3.94Å; E13-F49 HydrophobicContact CG-CZ 4.01Å; C16-F49 HydrophobicContact CB-CD2 4.47Å; C16-F49 HydrophobicContact CB-CE2 4.08Å; I44-F49 HydrophobicContact CG2-CD2 3.74Å; I44-F49 HydrophobicContact CG2-CE2 4.1Å; R45-F49 WeakPolarHBondContact O-CA 3.24Å; R45-F49 PolarHBondContact O-N 2.81Å; D46-F49 PolarHBondContact O-N 3.06Å; F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 PolarHBondContact O-N 3.13Å; F49-D52 PolarHBondContact O-N 3.14Å; F49-C53 HydrophobicContact CD1-CB 4.34Å; F49-C53 HydrophobicContact CE1-CB 4Å; F49-C53 HydrophobicContact CE2-CB 4.19Å; F49-C53 HydrophobicContact CZ-CB 3.9Å; F49-C53 WeakPolarHBondContact O-CA 3.41Å; F49-C53 WeakPolarHBondContact O-CB 3.43Å; F49-C53 PolarHBondContact O-N 3.38Å; F49-W248 HydrophobicContact CB-CZ2 4.37Å; F49-W248 HydrophobicContact CD2-CZ2 4.38Å; F49-W248 HydrophobicContact CG-CZ2 4.2Å
50E89.4Confident93.6Very high55 Ų5536.9 Ų36.926%0.25719%0.189SC..Hα-helixtrans-55.6-43.3-177.3-63.4-61.9164.100113D48 R54D48-E50 VanDerWaalsContact C-N 3.35Å; D48-E50 PolarHBondContact O-N 2.97Å; E50-R54 WeakPolarHBondContact O-CB 3.22Å; E50-R54 PolarHBondContact O-N 3.04Å; E50-R54 VanDerWaalsContact O-N 3.14Å
51V91.1Very high93.7Very high7 Ų735.4 Ų35.44%0.04218%0.18CC..Hα-helixtrans-75.1-47.5-176.81780000110.5D48 F49 C53 R54 R55 K92D48-V51 PolarHBondContact O-N 2.77Å; D48-V51 VanDerWaalsContact O-N 3.16Å; F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 PolarHBondContact O-N 3.13Å; V51-C53 VanDerWaalsContact C-N 3.34Å; V51-R54 PolarHBondContact O-N 3.31Å; V51-R55 WeakPolarHBondContact O-CG 3.4Å; V51-R55 PolarHBondContact O-N 3.12Å; V51-R55 VanDerWaalsContact O-N 3.08Å; V51-K92 HydrophobicContact CB-CB 4.26Å; V51-K92 HydrophobicContact CG1-CB 3.96Å; V51-K92 HydrophobicContact CG2-CB 3.36Å; V51-K92 HydrophobicContact CG2-CD 4.14Å; V51-K92 HydrophobicContact CG2-CG 4.38Å
52D93.9Very high93.6Very high13 Ų1341.7 Ų41.77%0.0720%0.204CC..Hα-helixtrans-70.6-34.9-177.9-66.9-15.5000111I44 R45 D48 F49 R55 F56I44-D52 HydrophobicContact CB-CB 4.39Å; I44-D52 HydrophobicContact CG1-CB 4.43Å; I44-D52 HydrophobicContact CG2-CB 4.25Å; R45-D52 WeakPolarHBondContact CB-OD2 3.29Å; R45-D52 IonicContact CZ-OD1 3.19Å; R45-D52 IonicContact CZ-OD2 3.02Å; R45-D52 VanDerWaalsContact CZ-OD2 3.32Å; R45-D52 PolarHBondContact N-OD2 3.04Å; R45-D52 IonicContact NE-OD2 3.11Å; R45-D52 PolarHBondContact NE-OD2 3.4Å; R45-D52 IonicContact NH2-OD1 2.65Å; R45-D52 PolarHBondContact NH2-OD1 2.89Å; R45-D52 IonicContact NH2-OD2 2.82Å; R45-D52 PolarHBondContact NH2-OD2 2.63Å; D48-D52 PolarHBondContact O-N 3.4Å; F49-D52 PolarHBondContact O-N 3.14Å; D52-R55 PolarHBondContact O-N 2.78Å; D52-R55 IonicContact OD1-NH1 2.84Å; D52-F56 WeakPolarHBondContact O-CB 3.29Å; D52-F56 PolarHBondContact O-N 2.79Å
53C94.9Very high93.7Very high0 Ų045.6 Ų45.60%022%0.215CC..Hα-helixtrans-58.1-50.3170.9174.70000110.9L12 F49 V51 R55 F56 L57L12-C53 HydrophobicContact CD2-CB 4.23Å; F49-C53 HydrophobicContact CD1-CB 4.34Å; F49-C53 HydrophobicContact CE1-CB 4Å; F49-C53 HydrophobicContact CE2-CB 4.19Å; F49-C53 HydrophobicContact CZ-CB 3.9Å; F49-C53 WeakPolarHBondContact O-CA 3.41Å; F49-C53 WeakPolarHBondContact O-CB 3.43Å; F49-C53 PolarHBondContact O-N 3.38Å; V51-C53 VanDerWaalsContact C-N 3.34Å; C53-R55 VanDerWaalsContact C-N 3.34Å; C53-R55 PolarHBondContact O-N 2.8Å; C53-F56 PolarHBondContact O-N 2.92Å; C53-L57 WeakPolarHBondContact O-CB 3.4Å; C53-L57 WeakPolarHBondContact O-CG 3.38Å; C53-L57 PolarHBondContact O-N 3.23Å
54R95.4Very high93.6Very high14 Ų1444.9 Ų44.95%0.05321%0.208CC..Hα-helixtrans-57.1-46.1176172.458.872.3179.13.8111.8Y5 E50 V51 N58 L93 D99Y5-R54 VanDerWaalsContact CE2-CZ 3.41Å; Y5-R54 VanDerWaalsContact CZ-NH2 3.26Å; Y5-R54 WeakPolarHBondContact OH-CA 3.33Å; Y5-R54 PolarHBondContact OH-NE 3.4Å; E50-R54 WeakPolarHBondContact O-CB 3.22Å; E50-R54 PolarHBondContact O-N 3.04Å; E50-R54 VanDerWaalsContact O-N 3.14Å; V51-R54 PolarHBondContact O-N 3.31Å; R54-N58 WeakPolarHBondContact CD-OD1 3.15Å; R54-N58 VanDerWaalsContact O-CB 3.31Å; R54-N58 WeakPolarHBondContact O-CB 3.06Å; R54-N58 PolarHBondContact O-N 3.44Å; R54-N58 PolarHBondContact O-OD1 2.78Å; R54-L93 HydrophobicContact CG-CD2 4.41Å; R54-D99 IonicContact CZ-OD1 2.93Å; R54-D99 IonicContact CZ-OD2 2.7Å; R54-D99 VanDerWaalsContact NH1-CG 3.34Å; R54-D99 IonicContact NH1-OD1 3.22Å; R54-D99 PolarHBondContact NH1-OD1 2.96Å; R54-D99 IonicContact NH1-OD2 3.89Å; R54-D99 PolarHBondContact NH1-OD2 3.43Å; R54-D99 VanDerWaalsContact NH1-OD2 3.14Å; R54-D99 IonicContact NH2-OD1 3.67Å; R54-D99 IonicContact NH2-OD2 3.9Å; R54-D99 PolarHBondContact NH2-OD2 3.46Å
55R94.7Very high93.5Very high141 Ų14146.3 Ų46.353%0.53222%0.223SC..Hα-helixtrans-62.7-46.6178.5-71.4173.4-179.3160.8-0.3111.8V51 D52 C53 N58 F59V51-R55 WeakPolarHBondContact O-CG 3.4Å; V51-R55 PolarHBondContact O-N 3.12Å; V51-R55 VanDerWaalsContact O-N 3.08Å; D52-R55 PolarHBondContact O-N 2.78Å; D52-R55 IonicContact OD1-NH1 2.84Å; C53-R55 VanDerWaalsContact C-N 3.34Å; C53-R55 PolarHBondContact O-N 2.8Å; R55-N58 PolarHBondContact O-N 2.88Å; R55-F59 WeakPolarHBondContact O-CB 3.26Å; R55-F59 PolarHBondContact O-N 2.65Å
56F96.3Very high93.6Very high8 Ų847.1 Ų47.14%0.03524%0.235CC..Hα-helixtrans-60.1-50.4177.4173.3-99.1000111.6L12 F32 I37 T40 F41 I44 D52 C53 N58 F59 V60L12-F56 HydrophobicContact CD1-CD1 4.16Å; L12-F56 HydrophobicContact CD1-CE1 3.83Å; L12-F56 HydrophobicContact CD2-CD1 3.42Å; L12-F56 VanDerWaalsContact CD2-CD1 3.42Å; L12-F56 HydrophobicContact CD2-CE1 3.91Å; L12-F56 HydrophobicContact CD2-CG 4.34Å; L12-F56 HydrophobicContact CG-CD1 4.46Å; F32-F56 HydrophobicContact CZ-CZ 4.28Å; I37-F56 HydrophobicContact CG2-CE2 4.02Å; I37-F56 HydrophobicContact CG2-CZ 4.14Å; T40-F56 HydrophobicContact CG2-CB 4.26Å; T40-F56 HydrophobicContact CG2-CD2 3.81Å; F41-F56 HydrophobicContact CB-CD2 4.23Å; F41-F56 HydrophobicContact CB-CE2 3.57Å; F41-F56 HydrophobicContact CB-CZ 4.04Å; F41-F56 HydrophobicContact CD2-CE2 4.38Å; F41-F56 HydrophobicContact CD2-CZ 4.11Å; F41-F56 HydrophobicContact CG-CE2 4.49Å; I44-F56 HydrophobicContact CD1-CB 3.97Å; I44-F56 HydrophobicContact CD1-CD1 4.09Å; I44-F56 HydrophobicContact CD1-CD2 4.25Å; I44-F56 HydrophobicContact CD1-CG 3.83Å; I44-F56 HydrophobicContact CG1-CB 4.18Å; I44-F56 HydrophobicContact CG1-CG 4.47Å; D52-F56 WeakPolarHBondContact O-CB 3.29Å; D52-F56 PolarHBondContact O-N 2.79Å; C53-F56 PolarHBondContact O-N 2.92Å; F56-N58 PolarHBondContact O-N 3.01Å; F56-F59 WeakPolarHBondContact O-CB 3.36Å; F56-F59 PolarHBondContact O-N 2.85Å; F56-F59 VanDerWaalsContact O-N 3.16Å; F56-V60 HydrophobicContact CD1-CG2 4.21Å; F56-V60 HydrophobicContact CD2-CG2 4.06Å; F56-V60 HydrophobicContact CE1-CG2 3.82Å; F56-V60 HydrophobicContact CE2-CG2 3.62Å; F56-V60 HydrophobicContact CG-CG2 4.34Å; F56-V60 HydrophobicContact CZ-CG2 3.52Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; F56-V60 PolarHBondContact O-N 2.97Å
57L97.1Very high93.8Very high6 Ų652.2 Ų52.23%0.03126%0.257CS..Hα-helixtrans-65.9-38.8-179-69.6179.3000112.2Y5 Q8 V9 L12 C53 F59 V60 N61Y5-L57 HydrophobicContact CD2-CB 4.49Å; Y5-L57 HydrophobicContact CD2-CD1 4.18Å; Y5-L57 HydrophobicContact CE2-CB 3.8Å; Y5-L57 HydrophobicContact CE2-CD1 3.57Å; Y5-L57 HydrophobicContact CE2-CG 4.35Å; Q8-L57 HydrophobicContact CB-CD1 3.9Å; Q8-L57 HydrophobicContact CB-CD2 3.9Å; V9-L57 HydrophobicContact CB-CD1 4.44Å; V9-L57 HydrophobicContact CG2-CD1 3.59Å; L12-L57 HydrophobicContact CD2-CD2 4.23Å; L12-L57 HydrophobicContact CD2-CG 4.16Å; C53-L57 WeakPolarHBondContact O-CB 3.4Å; C53-L57 WeakPolarHBondContact O-CG 3.38Å; C53-L57 PolarHBondContact O-N 3.23Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.86Å; L57-V60 PolarHBondContact O-N 3.18Å; L57-N61 VanDerWaalsContact O-CB 3.25Å; L57-N61 WeakPolarHBondContact O-CB 3.31Å; L57-N61 PolarHBondContact O-N 2.81Å; L57-N61 PolarHBondContact O-ND2 3.27Å
58N96.3Very high94.1Very high14 Ų1449.4 Ų49.48%0.07523%0.227CC..Hα-helixtrans-61.4-41.6173.1-74.87.8000111.3R54 R55 F56 R62 T72R54-N58 WeakPolarHBondContact CD-OD1 3.15Å; R54-N58 VanDerWaalsContact O-CB 3.31Å; R54-N58 WeakPolarHBondContact O-CB 3.06Å; R54-N58 PolarHBondContact O-N 3.44Å; R54-N58 PolarHBondContact O-OD1 2.78Å; R55-N58 PolarHBondContact O-N 2.88Å; F56-N58 PolarHBondContact O-N 3.01Å; N58-R62 WeakPolarHBondContact O-CB 3.37Å; N58-R62 VanDerWaalsContact O-CG 3.24Å; N58-R62 WeakPolarHBondContact O-CG 3.2Å; N58-R62 PolarHBondContact O-N 2.86Å; N58-R62 VanDerWaalsContact O-N 3.11Å; N58-T72 WeakPolarHBondContact OD1-CG2 3.49Å
59F96.3Very high94.5Very high69 Ų6952.9 Ų52.930%0.30324%0.238SC..Hα-helixtrans-62.8-53.1175.2172.4-98.8000111.6D36 I37 T40 R55 F56 L57 N61 R62 Y63D36-F59 HydrophobicContact CB-CE1 4.2Å; D36-F59 HydrophobicContact CB-CZ 3.68Å; I37-F59 HydrophobicContact CG1-CE1 3.87Å; T40-F59 HydrophobicContact CG2-CD1 4.36Å; R55-F59 WeakPolarHBondContact O-CB 3.26Å; R55-F59 PolarHBondContact O-N 2.65Å; F56-F59 WeakPolarHBondContact O-CB 3.36Å; F56-F59 PolarHBondContact O-N 2.85Å; F56-F59 VanDerWaalsContact O-N 3.16Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.86Å; F59-N61 PolarHBondContact O-N 3.02Å; F59-R62 PolarHBondContact O-N 3.24Å; F59-R62 VanDerWaalsContact O-N 3.17Å; F59-Y63 HydrophobicContact CE1-CD2 4.39Å; F59-Y63 AromaticContact CZ-CD2 3.97Å; F59-Y63 HydrophobicContact CZ-CD2 3.97Å; F59-Y63 WeakPolarHBondContact O-CB 3.42Å; F59-Y63 PolarHBondContact O-N 3.3Å
60V96.1Very high94.8Very high11 Ų1152.8 Ų52.87%0.06724%0.238CC..Hα-helixtrans-63.1-43.2-177.3177.80000111.3M1 I37 F56 L57 R62 Y63 H64M1-V60 HydrophobicContact CE-CG1 4.22Å; M1-V60 HydrophobicContact SD-CG1 3.45Å; M1-V60 WeakPolarHBondContact SD-CG1 3.36Å; I37-V60 HydrophobicContact CD1-CG1 4.48Å; I37-V60 HydrophobicContact CG1-CG2 4.35Å; I37-V60 HydrophobicContact CG2-CG2 4.05Å; F56-V60 HydrophobicContact CD1-CG2 4.21Å; F56-V60 HydrophobicContact CD2-CG2 4.06Å; F56-V60 HydrophobicContact CE1-CG2 3.82Å; F56-V60 HydrophobicContact CE2-CG2 3.62Å; F56-V60 HydrophobicContact CG-CG2 4.34Å; F56-V60 HydrophobicContact CZ-CG2 3.52Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; F56-V60 PolarHBondContact O-N 2.97Å; L57-V60 PolarHBondContact O-N 3.18Å; V60-R62 VanDerWaalsContact C-N 3.31Å; V60-R62 PolarHBondContact O-N 3.2Å; V60-Y63 WeakPolarHBondContact O-CB 3.38Å; V60-Y63 PolarHBondContact O-N 3.24Å; V60-H64 PolarHBondContact O-CD2 3.41Å; V60-H64 PolarHBondContact O-N 3.4Å
61N96.7Very high95.2Very high4 Ų450.2 Ų50.22%0.02123%0.226CC..Hα-helixtrans-61.9-39.2176.6-76.6-48.1000111.5M1 Q8 L57 F59 R68M1-N61 WeakPolarHBondContact CE-OD1 3.43Å; Q8-N61 PolarHBondContact OE1-ND2 3.06Å; L57-N61 VanDerWaalsContact O-CB 3.25Å; L57-N61 WeakPolarHBondContact O-CB 3.31Å; L57-N61 PolarHBondContact O-N 2.81Å; L57-N61 PolarHBondContact O-ND2 3.27Å; F59-N61 PolarHBondContact O-N 3.02Å; N61-R68 WeakPolarHBondContact O-CB 3.03Å
62R94.8Very high95.6Very high132 Ų13250.3 Ų50.350%0.49823%0.226SC..Hα-helixtrans-70.8-37175-73.5174.8179.1179.9-0.6112.9N58 F59 V60 H64 G65N58-R62 WeakPolarHBondContact O-CB 3.37Å; N58-R62 VanDerWaalsContact O-CG 3.24Å; N58-R62 WeakPolarHBondContact O-CG 3.2Å; N58-R62 PolarHBondContact O-N 2.86Å; N58-R62 VanDerWaalsContact O-N 3.11Å; F59-R62 PolarHBondContact O-N 3.24Å; F59-R62 VanDerWaalsContact O-N 3.17Å; V60-R62 VanDerWaalsContact C-N 3.31Å; V60-R62 PolarHBondContact O-N 3.2Å; R62-H64 PolarHBondContact O-N 3.17Å; R62-G65 PolarHBondContact O-N 2.77Å
63Y94.6Very high95.8Very high115 Ų11549.7 Ų49.745%0.45122%0.223SC..Hα-helixtrans-56.9-32.8178.1-173.6-88.7000112.1S34 I37 F59 V60 G65S34-Y63 WeakPolarHBondContact CB-OH 3.2Å; S34-Y63 PolarHBondContact OG-OH 2.81Å; I37-Y63 HydrophobicContact CD1-CD1 3.74Å; I37-Y63 HydrophobicContact CD1-CE1 3.98Å; I37-Y63 HydrophobicContact CD1-CG 4.18Å; I37-Y63 HydrophobicContact CG1-CD1 4.4Å; I37-Y63 HydrophobicContact CG1-CG 4.39Å; F59-Y63 HydrophobicContact CE1-CD2 4.39Å; F59-Y63 AromaticContact CZ-CD2 3.97Å; F59-Y63 HydrophobicContact CZ-CD2 3.97Å; F59-Y63 WeakPolarHBondContact O-CB 3.42Å; F59-Y63 PolarHBondContact O-N 3.3Å; V60-Y63 WeakPolarHBondContact O-CB 3.38Å; V60-Y63 PolarHBondContact O-N 3.24Å; Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 2.93Å
64H92.7Very high95.9Very high79 Ų7950.7 Ų50.737%0.36623%0.23SC..THydrogen-bonded Turntrans-78-2.8177.2-73.9-62.9000115.2M1 V60 R62 D66 Q67 R68M1-H64 VanDerWaalsContact SD-CD2 3.58Å; V60-H64 PolarHBondContact O-CD2 3.41Å; V60-H64 PolarHBondContact O-N 3.4Å; R62-H64 PolarHBondContact O-N 3.17Å; H64-D66 PolarHBondContact O-N 3.11Å; H64-Q67 WeakPolarHBondContact O-CB 3.44Å; H64-Q67 PolarHBondContact O-N 3.42Å; H64-R68 HydrophobicContact CB-CB 4.29Å
65G92.8Very high96Very high31 Ų3150.5 Ų50.532%0.3223%0.23SC..G310 helixtrans49.8-129.3177.400000112.4R62 Y63 Q67 R68R62-G65 PolarHBondContact O-N 2.77Å; Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 2.93Å; G65-Q67 PolarHBondContact O-N 3.08Å; G65-Q67 VanDerWaalsContact O-N 3.14Å; G65-R68 VanDerWaalsContact O-CB 3.25Å; G65-R68 WeakPolarHBondContact O-CB 3.45Å; G65-R68 VanDerWaalsContact O-CD 3.29Å; G65-R68 WeakPolarHBondContact O-CD 3.34Å; G65-R68 WeakPolarHBondContact O-CG 3.25Å; G65-R68 PolarHBondContact O-N 2.76Å
66D92.5Very high96.1Very high115 Ų11547.9 Ų47.962%0.61523%0.226SC*.G310 helixtrans-65.2-18.1-177.6-58.3-17.1000114.4H64 R68 R179H64-D66 PolarHBondContact O-N 3.11Å; D66-R68 VanDerWaalsContact C-N 3.3Å; D66-R179 PolarHBondContact O-NH1 2.83Å; D66-R179 PolarHBondContact O-NH2 3.34Å
67Q93.9Very high96.2Very high161 Ų16151.1 Ų51.175%0.75224%0.24SC*.G310 helixtrans-85-3.4176.9-60.5-60.1-43.900112.8H64 G65H64-Q67 WeakPolarHBondContact O-CB 3.44Å; H64-Q67 PolarHBondContact O-N 3.42Å; G65-Q67 PolarHBondContact O-N 3.08Å; G65-Q67 VanDerWaalsContact O-N 3.14Å
68R95.9Very high96.2Very high29 Ų2950.8 Ų50.811%0.10924%0.239CC..  trans-61.3147.9175.376.5-167.8162-178-2.3110.8N61 H64 G65 D66 Y71 E172N61-R68 WeakPolarHBondContact O-CB 3.03Å; H64-R68 HydrophobicContact CB-CB 4.29Å; G65-R68 VanDerWaalsContact O-CB 3.25Å; G65-R68 WeakPolarHBondContact O-CB 3.45Å; G65-R68 VanDerWaalsContact O-CD 3.29Å; G65-R68 WeakPolarHBondContact O-CD 3.34Å; G65-R68 WeakPolarHBondContact O-CG 3.25Å; G65-R68 PolarHBondContact O-N 2.76Å; D66-R68 VanDerWaalsContact C-N 3.3Å; R68-Y71 HydrophobicContact CG-CD2 4.16Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 3.75Å; R68-Y71 VanDerWaalsContact NE-CD1 3.27Å; R68-E172 IonicContact CZ-OE1 2.76Å; R68-E172 IonicContact NH1-OE1 3.74Å; R68-E172 PolarHBondContact NH1-OE1 2.77Å; R68-E172 IonicContact NH2-OE1 3.14Å; R68-E172 PolarHBondContact NH2-OE1 3.32Å
69R97.5Very high96.3Very high103 Ų10352.6 Ų52.639%0.38925%0.246SC..SBendtrans-119.41.5-179.7-61.9-177.364.9-149.13.5112.9M1 V2 G3 V102 G103M1-R69 WeakPolarHBondContact O-CD 3.39Å; M1-R69 PolarHBondContact O-NH1 3.05Å; V2-R69 PolarHBondContact O-NH1 3.47Å; G3-R69 CarbonylContact C-O 3.59Å; G3-R69 WeakPolarHBondContact CA-O 3.49Å; R69-V102 WeakPolarHBondContact O-CB 3.14Å; R69-V102 PolarHBondContact O-N 2.71Å; R69-G103 VanDerWaalsContact NH2-CA 3.31Å
70V98.5Very high96.2Very high1 Ų149.4 Ų49.41%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-133128.3168.3176.30000107.3G3 Y5 D99 F100G3-V70 VanDerWaalsContact C-CG2 3.42Å; Y5-V70 HydrophobicContact CD2-CG1 4.43Å; V70-D99 HydrophobicContact CG1-CB 4.49Å; V70-F100 WeakPolarHBondContact CA-O 3.35Å
71Y98.4Very high95.8Very high1 Ų152.2 Ų52.20%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-107.5130.9170.2-58.7-125.8000106.9R68 D99 F100 V102 E172 E175 A176 R179R68-Y71 HydrophobicContact CG-CD2 4.16Å; R68-Y71 HydrophobicContact CG-CE1 4.41Å; R68-Y71 HydrophobicContact CG-CE2 3.75Å; R68-Y71 VanDerWaalsContact NE-CD1 3.27Å; Y71-D99 WeakPolarHBondContact O-CA 3.38Å; Y71-F100 PolarHBondContact N-O 3.14Å; Y71-F100 PolarHBondContact O-N 2.76Å; Y71-V102 HydrophobicContact CD2-CG2 4.12Å; Y71-V102 HydrophobicContact CE2-CG2 3.93Å; Y71-E172 HydrophobicContact CD1-CG 3.95Å; Y71-E175 HydrophobicContact CE1-CB 4.47Å; Y71-E175 HydrophobicContact CE1-CG 4.15Å; Y71-E175 VanDerWaalsContact OH-CD 3.26Å; Y71-E175 PolarHBondContact OH-OE1 3.37Å; Y71-A176 HydrophobicContact CD1-CB 3.68Å; Y71-A176 HydrophobicContact CD2-CB 4.17Å; Y71-A176 HydrophobicContact CE1-CB 4.34Å; Y71-A176 HydrophobicContact CG-CB 3.61Å; Y71-R179 WeakPolarHBondContact OH-CD 3.46Å; Y71-R179 PolarHBondContact OH-NE 3.41Å; Y71-R179 VanDerWaalsContact OH-NE 3.11Å; Y71-R179 PolarHBondContact OH-NH1 3.04Å
72T97.9Very high95.5Very high9 Ų957 Ų576%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-121.3113.9-179.6-59.60000109N58 W97 I98 D99N58-T72 WeakPolarHBondContact OD1-CG2 3.49Å; T72-W97 HydrophobicContact CG2-CB 4.02Å; T72-W97 HydrophobicContact CG2-CD2 3.94Å; T72-W97 HydrophobicContact CG2-CE3 3.51Å; T72-W97 HydrophobicContact CG2-CG 4.19Å; T72-W97 HydrophobicContact CG2-CZ3 4.25Å; T72-I98 WeakPolarHBondContact CA-O 3.41Å; T72-D99 WeakPolarHBondContact CB-OD1 3.24Å; T72-D99 VanDerWaalsContact CG2-OD1 3.24Å; T72-D99 WeakPolarHBondContact CG2-OD1 3.42Å; T72-D99 PolarHBondContact OG1-OD1 2.88Å
73L98Very high95.4Very high0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-117.4140.4-174-69176.8000111.4C75 I98 F100 F165 H169 E172 L173L73-C75 PolarHBondContact O-N 3.23Å; L73-I98 PolarHBondContact N-O 3.43Å; L73-I98 PolarHBondContact O-N 3.19Å; L73-F100 HydrophobicContact CB-CE2 4.34Å; L73-F100 HydrophobicContact CD1-CD2 4.4Å; L73-F100 HydrophobicContact CD1-CE2 3.92Å; L73-F100 HydrophobicContact CG-CE2 4.42Å; L73-F165 HydrophobicContact CB-CD1 4.08Å; L73-F165 HydrophobicContact CB-CE1 3.79Å; L73-H169 HydrophobicContact CD2-CB 4.26Å; L73-E172 HydrophobicContact CD1-CG 4.5Å; L73-E172 HydrophobicContact CD2-CB 4.36Å; L73-E172 HydrophobicContact CD2-CG 3.87Å; L73-E172 VanDerWaalsContact CD2-OE2 3.24Å; L73-E172 WeakPolarHBondContact CD2-OE2 3.31Å; L73-L173 HydrophobicContact CD1-CB 3.97Å; L73-L173 HydrophobicContact CD1-CD1 3.93Å
74P97.6Very high95.4Very high22 Ų2250.9 Ų50.914%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-78118174.732.6-31.6000109.8K95 W97 F165 H169P74-K95 HydrophobicContact CB-CB 3.91Å; P74-K95 HydrophobicContact CB-CD 4.12Å; P74-K95 HydrophobicContact CB-CG 3.99Å; P74-W97 HydrophobicContact CB-CE3 4.25Å; P74-W97 HydrophobicContact CB-CH2 4.45Å; P74-W97 HydrophobicContact CB-CZ3 3.87Å; P74-W97 HydrophobicContact CG-CZ3 4.25Å; P74-F165 WeakPolarHBondContact O-CD1 3.44Å; P74-H169 WeakPolarHBondContact CG-NE2 3.4Å
75C98.3Very high95.6Very high9 Ų947.3 Ų47.36%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-86.1141173.2177.80000110.6L73 K77 F96 I98 T164 F165L73-C75 PolarHBondContact O-N 3.23Å; C75-K77 PolarHBondContact SG-N 2.94Å; C75-K77 VanDerWaalsContact SG-N 3.42Å; C75-K77 PolarHBondContact SG-O 3.42Å; C75-F96 HydrophobicContact CB-CB 4.28Å; C75-F96 HydrophobicContact CB-CD1 4.36Å; C75-F96 HydrophobicContact CB-CG 4.29Å; C75-F96 WeakPolarHBondContact CB-O 3.39Å; C75-F96 PolarHBondContact N-O 3.38Å; C75-F96 WeakPolarHBondContact O-CB 3.39Å; C75-I98 HydrophobicContact CB-CD1 3.82Å; C75-I98 HydrophobicContact CB-CG1 3.41Å; C75-I98 VanDerWaalsContact CB-CG1 3.41Å; C75-T164 PolarHBondContact SG-O 2.91Å; C75-T164 VanDerWaalsContact SG-O 3.34Å; C75-F165 HydrophobicContact CB-CD1 4.41Å; C75-F165 HydrophobicContact CB-CE1 4Å; C75-F165 HydrophobicContact CB-CZ 4.47Å
76L97.1Very high95.6Very high87 Ų8751.4 Ų51.446%0.45526%0.263SS..EExtended strand (participates in β ladder)trans-83.4-44.8173.3-58.8179.2000110.4T164L76-T164 HydrophobicContact CB-CG2 4.4Å; L76-T164 HydrophobicContact CD1-CG2 4.44Å; L76-T164 PolarHBondContact N-O 3.4Å
77K97.1Very high95.7Very high75 Ų7550.5 Ų50.533%0.32625%0.251SS..EExtended strand (participates in β ladder)trans-151.8137.3-174.8-54.1167.8-168.31420110.2C75 F79 E140 T164C75-K77 PolarHBondContact SG-N 2.94Å; C75-K77 VanDerWaalsContact SG-N 3.42Å; C75-K77 PolarHBondContact SG-O 3.42Å; K77-F79 HydrophobicContact CB-CD2 4.37Å; K77-F79 HydrophobicContact CB-CE2 3.85Å; K77-F79 HydrophobicContact CD-CE2 4.37Å; K77-E140 IonicContact NZ-OE1 3.09Å; K77-E140 PolarHBondContact NZ-OE1 3.15Å; K77-E140 IonicContact NZ-OE2 3.84Å; K77-E140 PolarHBondContact NZ-OE2 3.23Å; K77-T164 PolarHBondContact O-N 2.94Å
78A97.9Very high95.6Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-121.6141.4170.400000110Q84 L85 F96 F109 E162 L163A78-Q84 WeakPolarHBondContact O-CA 3.48Å; A78-L85 HydrophobicContact CB-CB 4.1Å; A78-L85 PolarHBondContact O-N 3.03Å; A78-F96 HydrophobicContact CB-CE1 3.51Å; A78-F96 HydrophobicContact CB-CZ 3.82Å; A78-F109 HydrophobicContact CB-CE2 4.45Å; A78-E162 CarbonylContact C-O 3.52Å; A78-E162 VanDerWaalsContact CA-O 3.31Å; A78-E162 WeakPolarHBondContact CA-O 3.44Å; A78-L163 HydrophobicContact CB-CD2 3.51Å
79F96.8Very high95.1Very high52 Ų5249.3 Ų49.323%0.22825%0.245CC..EExtended strand (participates in β ladder)trans-132137.6178.8-74.2-92.9000111.2K77 T83 Q84 V161 E162K77-F79 HydrophobicContact CB-CD2 4.37Å; K77-F79 HydrophobicContact CB-CE2 3.85Å; K77-F79 HydrophobicContact CD-CE2 4.37Å; F79-T83 WeakPolarHBondContact CA-O 3.41Å; F79-Q84 HydrophobicContact CD1-CB 4Å; F79-Q84 HydrophobicContact CE1-CB 3.58Å; F79-Q84 HydrophobicContact CE1-CG 4.07Å; F79-Q84 HydrophobicContact CE2-CG 4.4Å; F79-Q84 HydrophobicContact CZ-CB 4Å; F79-Q84 HydrophobicContact CZ-CG 3.98Å; F79-V161 WeakPolarHBondContact O-CA 3.49Å; F79-E162 HydrophobicContact CB-CB 4.37Å; F79-E162 PolarHBondContact N-O 3.31Å; F79-E162 PolarHBondContact O-N 2.9Å
80L94.9Very high94.3Very high1 Ų146.4 Ų46.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-107.5101.9163.4-172.768.3000107.5S82 T83 L85 I151 H153 T156 V161L80-S82 PolarHBondContact O-N 3.3Å; L80-T83 PolarHBondContact N-O 2.72Å; L80-T83 PolarHBondContact O-N 3Å; L80-L85 HydrophobicContact CB-CD1 4.27Å; L80-L85 HydrophobicContact CB-CD2 4.21Å; L80-L85 HydrophobicContact CB-CG 4.32Å; L80-I151 HydrophobicContact CD1-CD1 3.77Å; L80-I151 HydrophobicContact CD1-CG1 3.59Å; L80-I151 HydrophobicContact CD2-CG1 4.45Å; L80-H153 HydrophobicContact CD2-CB 3.82Å; L80-T156 HydrophobicContact CB-CG2 4.44Å; L80-T156 HydrophobicContact CD2-CG2 3.99Å; L80-T156 HydrophobicContact CG-CG2 4.02Å; L80-T156 WeakPolarHBondContact O-CG2 3.34Å; L80-V161 HydrophobicContact CD1-CG2 3.79Å
81S87.9Confident93.3Very high71 Ų7155.7 Ų55.750%0.49728%0.28SS..THydrogen-bonded Turntrans54.2-122.9-166.7-172.80000110.8S158 V160S81-S158 PolarHBondContact N-OG 3.5Å; S81-V160 PolarHBondContact N-O 3.22Å
82S89.4Confident92.6Very high104 Ų10460.4 Ų60.473%0.72730%0.301SS*.THydrogen-bonded Turntrans-87.1-2176.958.60000114.4L80L80-S82 PolarHBondContact O-N 3.3Å
83T93.4Very high91.8Very high43 Ų4360.8 Ų60.826%0.26430%0.303SS..EExtended strand (participates in β ladder)trans-94.6118.1-177.1-58.10000110F79 L80 T156F79-T83 WeakPolarHBondContact CA-O 3.41Å; L80-T83 PolarHBondContact N-O 2.72Å; L80-T83 PolarHBondContact O-N 3Å; T83-T156 PolarHBondContact OG1-OG1 3.49Å
84Q95.6Very high91Very high75 Ų7565.5 Ų65.535%0.3533%0.328SS..EExtended strand (participates in β ladder)trans-70.4132.9172.8-170170.8-3.400110.3A78 F79 F86A78-Q84 WeakPolarHBondContact O-CA 3.48Å; F79-Q84 HydrophobicContact CD1-CB 4Å; F79-Q84 HydrophobicContact CE1-CB 3.58Å; F79-Q84 HydrophobicContact CE1-CG 4.07Å; F79-Q84 HydrophobicContact CE2-CG 4.4Å; F79-Q84 HydrophobicContact CZ-CB 4Å; F79-Q84 HydrophobicContact CZ-CG 3.98Å; Q84-F86 HydrophobicContact CB-CE2 4.22Å; Q84-F86 HydrophobicContact CB-CZ 4.05Å; Q84-F86 HydrophobicContact CG-CE1 4.07Å; Q84-F86 HydrophobicContact CG-CE2 4.34Å; Q84-F86 HydrophobicContact CG-CZ 3.93Å
85L95.8Very high90.9Very high5 Ų569.3 Ų69.33%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-95.4139.5169.8-53178.5000108.6A78 L80 F109 I111 I122 H153A78-L85 HydrophobicContact CB-CB 4.1Å; A78-L85 PolarHBondContact O-N 3.03Å; L80-L85 HydrophobicContact CB-CD1 4.27Å; L80-L85 HydrophobicContact CB-CD2 4.21Å; L80-L85 HydrophobicContact CB-CG 4.32Å; L85-F109 HydrophobicContact CD1-CE2 3.8Å; L85-F109 HydrophobicContact CD1-CZ 4.04Å; L85-I111 HydrophobicContact CB-CG2 4.12Å; L85-I111 HydrophobicContact CD1-CG2 4.49Å; L85-I111 HydrophobicContact CD2-CD1 4.45Å; L85-I122 HydrophobicContact CD1-CG1 4.2Å; L85-H153 VanDerWaalsContact CD2-CD2 3.45Å; L85-H153 WeakPolarHBondContact CD2-CD2 3.19Å
86F94.3Very high90.8Very high116 Ų11669.6 Ų69.651%0.50934%0.342SS..  trans-111.1145.9-178.1-63.8-81.5000110.5Q84 I111 D112Q84-F86 HydrophobicContact CB-CE2 4.22Å; Q84-F86 HydrophobicContact CB-CZ 4.05Å; Q84-F86 HydrophobicContact CG-CE1 4.07Å; Q84-F86 HydrophobicContact CG-CE2 4.34Å; Q84-F86 HydrophobicContact CG-CZ 3.93Å; F86-I111 CarbonylContact O-C 3.51Å; F86-I111 VanDerWaalsContact O-CA 3.23Å; F86-I111 WeakPolarHBondContact O-CA 3.45Å; F86-I111 WeakPolarHBondContact O-CB 3.24Å; F86-D112 HydrophobicContact CB-CB 4.27Å; F86-D112 PolarHBondContact O-N 2.94Å
87R93.4Very high90.8Very high96 Ų9666.9 Ų66.936%0.36233%0.326SS..  trans-58.3156.4169.369.1175.6-175.987.3-11.3110.6D90 L93 F96R87-D90 PolarHBondContact NH1-O 2.89Å; R87-D90 VanDerWaalsContact NH1-O 3.1Å; R87-L93 PolarHBondContact NH1-O 3.1Å; R87-L93 VanDerWaalsContact NH1-O 3.14Å; R87-F96 HydrophobicContact CB-CB 3.74Å; R87-F96 HydrophobicContact CB-CD1 4.23Å; R87-F96 HydrophobicContact CB-CD2 3.79Å; R87-F96 HydrophobicContact CB-CE2 4.46Å; R87-F96 HydrophobicContact CB-CG 3.66Å
88P91.1Very high90.9Very high8 Ų863.3 Ų63.35%0.05231%0.311CS..  trans-54.6141.9172.7-25.135000113.1D90 F110 W119P88-D90 PolarHBondContact O-N 3.01Å; P88-F110 WeakPolarHBondContact CD-O 3.35Å; P88-F110 HydrophobicContact CG-CB 3.68Å; P88-W119 HydrophobicContact CB-CD2 3.43Å; P88-W119 VanDerWaalsContact CB-CD2 3.43Å; P88-W119 HydrophobicContact CB-CE3 3.95Å; P88-W119 HydrophobicContact CB-CG 3.72Å; P88-W119 HydrophobicContact CB-CH2 4.36Å; P88-W119 HydrophobicContact CB-CZ2 3.88Å; P88-W119 HydrophobicContact CB-CZ3 4.39Å; P88-W119 HydrophobicContact CG-CB 4.35Å; P88-W119 HydrophobicContact CG-CD2 3.65Å; P88-W119 HydrophobicContact CG-CE3 3.76Å; P88-W119 HydrophobicContact CG-CG 3.91Å; P88-W119 HydrophobicContact CG-CZ3 4.34Å
89K85.4Confident90.9Very high157 Ų15763.3 Ų63.368%0.68331%0.311SS*.SBendtrans-77.668.7175.1-70.5174.1178.3137.60111.3D112K89-D112 WeakPolarHBondContact CE-OD2 3.4Å; K89-D112 IonicContact NZ-OD1 2.81Å; K89-D112 IonicContact NZ-OD2 2.76Å; K89-D112 PolarHBondContact NZ-OD2 3.37Å
90D81.4Confident91Very high42 Ų4260.8 Ų60.823%0.22530%0.3CS..  trans-118.2123.9168-167.3-37.9000108.2R87 P88 K92 L93 W119R87-D90 PolarHBondContact NH1-O 2.89Å; R87-D90 VanDerWaalsContact NH1-O 3.1Å; P88-D90 PolarHBondContact O-N 3.01Å; D90-K92 PolarHBondContact O-N 3.09Å; D90-K92 WeakPolarHBondContact OD1-CB 3.44Å; D90-K92 PolarHBondContact OD1-N 2.94Å; D90-L93 HydrophobicContact CB-CB 4.1Å; D90-L93 HydrophobicContact CB-CD1 3.99Å; D90-L93 HydrophobicContact CB-CG 3.98Å; D90-L93 PolarHBondContact O-N 2.94Å; D90-W119 HydrophobicContact CB-CH2 4.38Å; D90-W119 HydrophobicContact CB-CZ2 3.85Å
91E77.4Confident91.2Very high196 Ų19660.8 Ų60.892%0.91630%0.299SS*.THydrogen-bonded Turntrans-68.2-24.4-179.3-65.7-175.3173.400112.2
92K83.6Confident91.7Very high100 Ų10059.3 Ų59.344%0.43529%0.288SS..THydrogen-bonded Turntrans-87-13.9-179.9-60.8-177.5-175.1-175.80112.4D48 V51 D90D48-K92 IonicContact OD1-NZ 3.42Å; D48-K92 PolarHBondContact OD1-NZ 3.23Å; D48-K92 IonicContact OD2-NZ 2.56Å; D48-K92 PolarHBondContact OD2-NZ 2.66Å; V51-K92 HydrophobicContact CB-CB 4.26Å; V51-K92 HydrophobicContact CG1-CB 3.96Å; V51-K92 HydrophobicContact CG2-CB 3.36Å; V51-K92 HydrophobicContact CG2-CD 4.14Å; V51-K92 HydrophobicContact CG2-CG 4.38Å; D90-K92 PolarHBondContact O-N 3.09Å; D90-K92 WeakPolarHBondContact OD1-CB 3.44Å; D90-K92 PolarHBondContact OD1-N 2.94Å
93L80.4Confident92Very high17 Ų1756 Ų569%0.08927%0.27CS..  trans-87.8110.7167.8-69.4-179.6000110R54 R87 D90 W119R54-L93 HydrophobicContact CG-CD2 4.41Å; R87-L93 PolarHBondContact NH1-O 3.1Å; R87-L93 VanDerWaalsContact NH1-O 3.14Å; D90-L93 HydrophobicContact CB-CB 4.1Å; D90-L93 HydrophobicContact CB-CD1 3.99Å; D90-L93 HydrophobicContact CB-CG 3.98Å; D90-L93 PolarHBondContact O-N 2.94Å; L93-W119 HydrophobicContact CD1-CH2 3.36Å; L93-W119 HydrophobicContact CD1-CZ2 4.08Å; L93-W119 HydrophobicContact CD1-CZ3 3.79Å; L93-W119 HydrophobicContact CG-CH2 4.46Å
94D82.9Confident92.1Very high100 Ų10056.1 Ų56.154%0.53527%0.272SS..  trans-85-22-170.664.5-35.2000113.9
95K94.1Very high92.2Very high102 Ų10253 Ų5344%0.44326%0.26SS..SBendtrans-132.1161-177-51.3-66.6174.3177.10112.4P74 W97P74-K95 HydrophobicContact CB-CB 3.91Å; P74-K95 HydrophobicContact CB-CD 4.12Å; P74-K95 HydrophobicContact CB-CG 3.99Å; K95-W97 HydrophobicContact CB-CD2 3.94Å; K95-W97 HydrophobicContact CB-CE3 4.25Å; K95-W97 HydrophobicContact CB-CH2 4.02Å; K95-W97 HydrophobicContact CB-CZ2 3.64Å; K95-W97 HydrophobicContact CB-CZ3 4.31Å; K95-W97 HydrophobicContact CG-CH2 3.73Å; K95-W97 HydrophobicContact CG-CZ2 3.53Å; K95-W97 HydrophobicContact CG-CZ3 4.37Å; K95-W97 PolarHBondContact O-N 2.79Å
96F96.8Very high92.4Very high14 Ų1452.8 Ų52.86%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-85.694166.4-167.9177.5000108.9C75 A78 R87 I98 F109 F110 I111C75-F96 HydrophobicContact CB-CB 4.28Å; C75-F96 HydrophobicContact CB-CD1 4.36Å; C75-F96 HydrophobicContact CB-CG 4.29Å; C75-F96 WeakPolarHBondContact CB-O 3.39Å; C75-F96 PolarHBondContact N-O 3.38Å; C75-F96 WeakPolarHBondContact O-CB 3.39Å; A78-F96 HydrophobicContact CB-CE1 3.51Å; A78-F96 HydrophobicContact CB-CZ 3.82Å; R87-F96 HydrophobicContact CB-CB 3.74Å; R87-F96 HydrophobicContact CB-CD1 4.23Å; R87-F96 HydrophobicContact CB-CD2 3.79Å; R87-F96 HydrophobicContact CB-CE2 4.46Å; R87-F96 HydrophobicContact CB-CG 3.66Å; F96-I98 HydrophobicContact CD2-CD1 4.32Å; F96-I98 HydrophobicContact CE2-CD1 4.16Å; F96-F109 HydrophobicContact CE2-CB 4.36Å; F96-F109 AromaticContact CE2-CD2 3.72Å; F96-F109 HydrophobicContact CE2-CD2 3.72Å; F96-F109 HydrophobicContact CE2-CE2 4.47Å; F96-F109 HydrophobicContact CE2-CG 4.41Å; F96-F109 AromaticContact CZ-CD2 3.81Å; F96-F109 HydrophobicContact CZ-CD2 3.81Å; F96-F109 HydrophobicContact CZ-CE2 4.11Å; F96-F110 VanDerWaalsContact CE2-O 3.22Å; F96-F110 WeakPolarHBondContact CE2-O 3.24Å; F96-I111 HydrophobicContact CE2-CG2 4.23Å; F96-I111 HydrophobicContact CZ-CG2 3.96Å
97W97.6Very high92.6Very high30 Ų3047.3 Ų47.311%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-78.4132-175.1-62.3113.3000112.4T72 P74 K95 F109T72-W97 HydrophobicContact CG2-CB 4.02Å; T72-W97 HydrophobicContact CG2-CD2 3.94Å; T72-W97 HydrophobicContact CG2-CE3 3.51Å; T72-W97 HydrophobicContact CG2-CG 4.19Å; T72-W97 HydrophobicContact CG2-CZ3 4.25Å; P74-W97 HydrophobicContact CB-CE3 4.25Å; P74-W97 HydrophobicContact CB-CH2 4.45Å; P74-W97 HydrophobicContact CB-CZ3 3.87Å; P74-W97 HydrophobicContact CG-CZ3 4.25Å; K95-W97 HydrophobicContact CB-CD2 3.94Å; K95-W97 HydrophobicContact CB-CE3 4.25Å; K95-W97 HydrophobicContact CB-CH2 4.02Å; K95-W97 HydrophobicContact CB-CZ2 3.64Å; K95-W97 HydrophobicContact CB-CZ3 4.31Å; K95-W97 HydrophobicContact CG-CH2 3.73Å; K95-W97 HydrophobicContact CG-CZ2 3.53Å; K95-W97 HydrophobicContact CG-CZ3 4.37Å; K95-W97 PolarHBondContact O-N 2.79Å; W97-F109 WeakPolarHBondContact O-CB 3.24Å
98I98.6Very high92.8Very high0 Ų042.8 Ų42.80%022%0.218CC..EExtended strand (participates in β ladder)trans-113.9124.9169.6-48.9-60.2000108.3T72 L73 C75 F96 F100 V107 F109 L163 F165T72-I98 WeakPolarHBondContact CA-O 3.41Å; L73-I98 PolarHBondContact N-O 3.43Å; L73-I98 PolarHBondContact O-N 3.19Å; C75-I98 HydrophobicContact CB-CD1 3.82Å; C75-I98 HydrophobicContact CB-CG1 3.41Å; C75-I98 VanDerWaalsContact CB-CG1 3.41Å; F96-I98 HydrophobicContact CD2-CD1 4.32Å; F96-I98 HydrophobicContact CE2-CD1 4.16Å; I98-F100 HydrophobicContact CB-CE2 4.11Å; I98-F100 HydrophobicContact CG2-CD2 4.22Å; I98-F100 HydrophobicContact CG2-CE2 3.66Å; I98-F100 HydrophobicContact CG2-CZ 4.09Å; I98-V107 HydrophobicContact CG2-CG1 3.49Å; I98-V107 VanDerWaalsContact CG2-CG1 3.49Å; I98-F109 HydrophobicContact CD1-CB 3.46Å; I98-F109 VanDerWaalsContact CD1-CB 3.46Å; I98-F109 HydrophobicContact CD1-CD1 3.81Å; I98-F109 HydrophobicContact CD1-CD2 4.06Å; I98-F109 HydrophobicContact CD1-CG 3.52Å; I98-F109 HydrophobicContact CG2-CD1 4.39Å; I98-L163 HydrophobicContact CD1-CD2 4.21Å; I98-L163 HydrophobicContact CG2-CD1 3.97Å; I98-F165 HydrophobicContact CB-CE1 4.29Å; I98-F165 HydrophobicContact CB-CZ 4.28Å; I98-F165 HydrophobicContact CG1-CE1 4Å; I98-F165 HydrophobicContact CG1-CZ 3.99Å; I98-F165 HydrophobicContact CG2-CZ 4.49Å
99D98.6Very high93.1Very high0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-104117.5-177.2-63.5-55.3000110.1Y5 R54 V70 Y71 T72 N101 V107 S108Y5-D99 WeakPolarHBondContact CD1-OD2 3.4Å; Y5-D99 HydrophobicContact CG-CB 4.24Å; R54-D99 IonicContact CZ-OD1 2.93Å; R54-D99 IonicContact CZ-OD2 2.7Å; R54-D99 VanDerWaalsContact NH1-CG 3.34Å; R54-D99 IonicContact NH1-OD1 3.22Å; R54-D99 PolarHBondContact NH1-OD1 2.96Å; R54-D99 IonicContact NH1-OD2 3.89Å; R54-D99 PolarHBondContact NH1-OD2 3.43Å; R54-D99 VanDerWaalsContact NH1-OD2 3.14Å; R54-D99 IonicContact NH2-OD1 3.67Å; R54-D99 IonicContact NH2-OD2 3.9Å; R54-D99 PolarHBondContact NH2-OD2 3.46Å; V70-D99 HydrophobicContact CG1-CB 4.49Å; Y71-D99 WeakPolarHBondContact O-CA 3.38Å; T72-D99 WeakPolarHBondContact CB-OD1 3.24Å; T72-D99 VanDerWaalsContact CG2-OD1 3.24Å; T72-D99 WeakPolarHBondContact CG2-OD1 3.42Å; T72-D99 PolarHBondContact OG1-OD1 2.88Å; D99-N101 PolarHBondContact O-ND2 2.74Å; D99-V107 CarbonylContact O-C 3.56Å; D99-V107 WeakPolarHBondContact O-CA 3.32Å; D99-S108 PolarHBondContact N-O 3.31Å; D99-S108 PolarHBondContact O-N 3.46Å
100F98.6Very high93.6Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-98.1100175.2-65.5-103.8000108.3V70 Y71 L73 I98 V102 V107 L143 F165 L173 A176 A177 V180V70-F100 WeakPolarHBondContact CA-O 3.35Å; Y71-F100 PolarHBondContact N-O 3.14Å; Y71-F100 PolarHBondContact O-N 2.76Å; L73-F100 HydrophobicContact CB-CE2 4.34Å; L73-F100 HydrophobicContact CD1-CD2 4.4Å; L73-F100 HydrophobicContact CD1-CE2 3.92Å; L73-F100 HydrophobicContact CG-CE2 4.42Å; I98-F100 HydrophobicContact CB-CE2 4.11Å; I98-F100 HydrophobicContact CG2-CD2 4.22Å; I98-F100 HydrophobicContact CG2-CE2 3.66Å; I98-F100 HydrophobicContact CG2-CZ 4.09Å; F100-V102 PolarHBondContact O-N 3.31Å; F100-V107 HydrophobicContact CD1-CG1 4.32Å; F100-V107 HydrophobicContact CD1-CG2 3.45Å; F100-V107 VanDerWaalsContact CD1-CG2 3.45Å; F100-V107 HydrophobicContact CE1-CG1 4.21Å; F100-V107 HydrophobicContact CE1-CG2 3.78Å; F100-V107 HydrophobicContact CG-CG2 4.16Å; F100-V107 HydrophobicContact CZ-CG1 4.39Å; F100-L143 HydrophobicContact CE1-CD2 3.76Å; F100-L143 HydrophobicContact CZ-CD2 3.89Å; F100-F165 HydrophobicContact CE2-CZ 4.26Å; F100-F165 HydrophobicContact CZ-CZ 4.1Å; F100-L173 HydrophobicContact CE1-CD1 4.04Å; F100-L173 HydrophobicContact CE2-CD1 4.16Å; F100-L173 HydrophobicContact CZ-CD1 3.44Å; F100-L173 VanDerWaalsContact CZ-CD1 3.44Å; F100-A176 HydrophobicContact CB-CB 3.83Å; F100-A176 HydrophobicContact CD1-CB 3.83Å; F100-A176 HydrophobicContact CD2-CB 4.18Å; F100-A176 HydrophobicContact CE1-CB 4.46Å; F100-A176 HydrophobicContact CG-CB 3.69Å; F100-A177 HydrophobicContact CE1-CB 4.2Å; F100-V180 HydrophobicContact CB-CG2 3.79Å
101N98.6Very high94.2Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-95.393.5-169.8-55-67.1000110.7G3 Y5 D99 G103 S104 G105 C106 S108G3-N101 CarbonylContact O-C 3.55Å; G3-N101 WeakPolarHBondContact O-CA 3.49Å; G3-N101 WeakPolarHBondContact O-CB 3.33Å; Y5-N101 WeakPolarHBondContact CB-OD1 3.41Å; Y5-N101 PolarHBondContact N-OD1 3.29Å; D99-N101 PolarHBondContact O-ND2 2.74Å; N101-G103 PolarHBondContact O-N 3.09Å; N101-S104 WeakPolarHBondContact CB-OG 3.5Å; N101-S104 PolarHBondContact O-N 3.41Å; N101-G105 PolarHBondContact O-N 3.49Å; N101-C106 WeakPolarHBondContact CA-O 3.3Å; N101-C106 HydrophobicContact CB-CB 4.27Å; N101-C106 WeakPolarHBondContact CB-O 3.38Å; N101-C106 PolarHBondContact N-O 3.16Å; N101-C106 PolarHBondContact ND2-O 2.97Å; N101-C106 VanDerWaalsContact ND2-O 3.12Å; N101-C106 PolarHBondContact O-N 2.85Å; N101-S108 PolarHBondContact ND2-OG 2.82Å
102V97.7Very high94.9Very high41 Ų4125.9 Ų25.925%0.24814%0.14CC..THydrogen-bonded Turntrans-65.5-29.8-177.6-176.70000111.3G3 R69 Y71 F100 R179 V180G3-V102 PolarHBondContact O-N 3.46Å; R69-V102 WeakPolarHBondContact O-CB 3.14Å; R69-V102 PolarHBondContact O-N 2.71Å; Y71-V102 HydrophobicContact CD2-CG2 4.12Å; Y71-V102 HydrophobicContact CE2-CG2 3.93Å; F100-V102 PolarHBondContact O-N 3.31Å; V102-R179 HydrophobicContact CG1-CB 4.25Å; V102-R179 HydrophobicContact CG2-CB 3.88Å; V102-V180 HydrophobicContact CG2-CG2 4.13Å
103G96.3Very high95.1Very high34 Ų3422.9 Ų22.935%0.35113%0.129SC..THydrogen-bonded Turntrans-72.2-36.2-178.900000114.1G3 R69 N101G3-G103 WeakPolarHBondContact O-CA 3.35Å; G3-G103 PolarHBondContact O-N 3.38Å; R69-G103 VanDerWaalsContact NH2-CA 3.31Å; N101-G103 PolarHBondContact O-N 3.09Å
104S96.8Very high95.4Very high45 Ų4526.3 Ų26.332%0.31515%0.152SC..THydrogen-bonded Turntrans-97.6-11.9178.251.30000113.6D4 N101 C106D4-S104 VanDerWaalsContact OD2-CB 3.26Å; D4-S104 WeakPolarHBondContact OD2-CB 3.44Å; D4-S104 PolarHBondContact OD2-OG 3.28Å; N101-S104 WeakPolarHBondContact CB-OG 3.5Å; N101-S104 PolarHBondContact O-N 3.41Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 WeakPolarHBondContact OG-CB 3.4Å
105G97.7Very high95.5Very high9 Ų928.5 Ų28.59%0.09316%0.159CC..THydrogen-bonded Turntrans70.730.9-173.500000112.3N101 M126N101-G105 PolarHBondContact O-N 3.49Å; G105-M126 VanDerWaalsContact O-CB 3.22Å; G105-M126 WeakPolarHBondContact O-CB 3.42Å; G105-M126 PolarHBondContact O-N 3.02Å
106C98.2Very high95Very high2 Ų226.3 Ų26.31%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-120.8136.1-172.7-169.80000112N101 S104 Q125N101-C106 WeakPolarHBondContact CA-O 3.3Å; N101-C106 HydrophobicContact CB-CB 4.27Å; N101-C106 WeakPolarHBondContact CB-O 3.38Å; N101-C106 PolarHBondContact N-O 3.16Å; N101-C106 PolarHBondContact ND2-O 2.97Å; N101-C106 VanDerWaalsContact ND2-O 3.12Å; N101-C106 PolarHBondContact O-N 2.85Å; S104-C106 VanDerWaalsContact C-N 3.33Å; S104-C106 WeakPolarHBondContact OG-CB 3.4Å; C106-Q125 PolarHBondContact SG-OE1 3.09Å; C106-Q125 VanDerWaalsContact SG-OE1 3.38Å
107V98.7Very high94.4Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-97.3118.6156.3179.60000108.2I98 D99 F100 L124 L163 V180 F181I98-V107 HydrophobicContact CG2-CG1 3.49Å; I98-V107 VanDerWaalsContact CG2-CG1 3.49Å; D99-V107 CarbonylContact O-C 3.56Å; D99-V107 WeakPolarHBondContact O-CA 3.32Å; F100-V107 HydrophobicContact CD1-CG1 4.32Å; F100-V107 HydrophobicContact CD1-CG2 3.45Å; F100-V107 VanDerWaalsContact CD1-CG2 3.45Å; F100-V107 HydrophobicContact CE1-CG1 4.21Å; F100-V107 HydrophobicContact CE1-CG2 3.78Å; F100-V107 HydrophobicContact CG-CG2 4.16Å; F100-V107 HydrophobicContact CZ-CG1 4.39Å; V107-L124 HydrophobicContact CB-CB 4.21Å; V107-L124 HydrophobicContact CB-CD1 4.38Å; V107-L124 HydrophobicContact CG1-CD1 4.47Å; V107-L124 PolarHBondContact N-O 3.46Å; V107-L124 PolarHBondContact O-N 3.2Å; V107-L163 HydrophobicContact CG1-CD1 4.41Å; V107-V180 HydrophobicContact CG2-CB 4.43Å; V107-V180 HydrophobicContact CG2-CG1 3.88Å; V107-F181 HydrophobicContact CB-CE1 4.45Å; V107-F181 HydrophobicContact CB-CZ 4.11Å; V107-F181 HydrophobicContact CG2-CE1 3.76Å; V107-F181 HydrophobicContact CG2-CE2 4.09Å; V107-F181 HydrophobicContact CG2-CZ 3.37Å
108S98.2Very high93.8Very high2 Ų236 Ų361%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-126.2153-179.467.40000113.1D99 N101 I122D99-S108 PolarHBondContact N-O 3.31Å; D99-S108 PolarHBondContact O-N 3.46Å; N101-S108 PolarHBondContact ND2-OG 2.82Å; S108-I122 WeakPolarHBondContact CA-O 3.45Å
109F97.7Very high93.5Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-159.5149.2175.255-85000112A78 L85 F96 W97 I98 I111 S121 I122 V161 L163A78-F109 HydrophobicContact CB-CE2 4.45Å; L85-F109 HydrophobicContact CD1-CE2 3.8Å; L85-F109 HydrophobicContact CD1-CZ 4.04Å; F96-F109 HydrophobicContact CE2-CB 4.36Å; F96-F109 AromaticContact CE2-CD2 3.72Å; F96-F109 HydrophobicContact CE2-CD2 3.72Å; F96-F109 HydrophobicContact CE2-CE2 4.47Å; F96-F109 HydrophobicContact CE2-CG 4.41Å; F96-F109 AromaticContact CZ-CD2 3.81Å; F96-F109 HydrophobicContact CZ-CD2 3.81Å; F96-F109 HydrophobicContact CZ-CE2 4.11Å; W97-F109 WeakPolarHBondContact O-CB 3.24Å; I98-F109 HydrophobicContact CD1-CB 3.46Å; I98-F109 VanDerWaalsContact CD1-CB 3.46Å; I98-F109 HydrophobicContact CD1-CD1 3.81Å; I98-F109 HydrophobicContact CD1-CD2 4.06Å; I98-F109 HydrophobicContact CD1-CG 3.52Å; I98-F109 HydrophobicContact CG2-CD1 4.39Å; F109-I111 HydrophobicContact CD2-CG2 3.57Å; F109-I111 HydrophobicContact CE2-CG2 3.62Å; F109-S121 WeakPolarHBondContact O-CA 3.41Å; F109-I122 HydrophobicContact CD1-CB 4.24Å; F109-I122 HydrophobicContact CD2-CB 4.24Å; F109-I122 HydrophobicContact CD2-CG1 4.41Å; F109-I122 HydrophobicContact CE1-CB 3.75Å; F109-I122 HydrophobicContact CE1-CG2 3.68Å; F109-I122 HydrophobicContact CE2-CB 3.77Å; F109-I122 HydrophobicContact CE2-CG1 3.72Å; F109-I122 HydrophobicContact CE2-CG2 4.36Å; F109-I122 HydrophobicContact CG-CB 4.47Å; F109-I122 HydrophobicContact CZ-CB 3.5Å; F109-I122 VanDerWaalsContact CZ-CB 3.5Å; F109-I122 HydrophobicContact CZ-CG1 3.79Å; F109-I122 HydrophobicContact CZ-CG2 3.59Å; F109-I122 PolarHBondContact N-O 3.48Å; F109-I122 VanDerWaalsContact N-O 3.09Å; F109-I122 PolarHBondContact O-N 3.2Å; F109-V161 HydrophobicContact CZ-CG1 4.25Å; F109-L163 HydrophobicContact CE1-CD1 4.45Å; F109-L163 HydrophobicContact CE1-CD2 4.07Å; F109-L163 HydrophobicContact CZ-CD2 4.06Å
110F95.1Very high93.1Very high22 Ų2239.5 Ų39.510%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-86.5146.1174.8-62.6-72.8000111.3Y5 E6 P88 F96 W119 G120 Y244Y5-F110 HydrophobicContact CE1-CE2 4.29Å; E6-F110 HydrophobicContact CG-CZ 4.07Å; P88-F110 WeakPolarHBondContact CD-O 3.35Å; P88-F110 HydrophobicContact CG-CB 3.68Å; F96-F110 VanDerWaalsContact CE2-O 3.22Å; F96-F110 WeakPolarHBondContact CE2-O 3.24Å; F110-W119 HydrophobicContact CB-CE3 4.21Å; F110-W119 HydrophobicContact CG-CE3 4.24Å; F110-G120 CarbonylContact C-O 3.59Å; F110-G120 VanDerWaalsContact CA-O 3.31Å; F110-G120 WeakPolarHBondContact CA-O 3.27Å; F110-Y244 AromaticContact CE1-CD2 3.84Å; F110-Y244 HydrophobicContact CE1-CD2 3.84Å; F110-Y244 AromaticContact CE1-CE2 3.45Å; F110-Y244 HydrophobicContact CE1-CE2 3.45Å; F110-Y244 VanDerWaalsContact CE1-CE2 3.45Å; F110-Y244 AromaticContact CE1-CZ 3.96Å; F110-Y244 HydrophobicContact CZ-CD2 4.28Å; F110-Y244 HydrophobicContact CZ-CE1 4.29Å; F110-Y244 AromaticContact CZ-CE2 3.52Å; F110-Y244 HydrophobicContact CZ-CE2 3.52Å; F110-Y244 AromaticContact CZ-CZ 3.53Å
111I94.6Very high92.9Very high0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-132.5153.5179.558.1176.6000111L85 F86 F96 F109 D113 G120 I122 H153L85-I111 HydrophobicContact CB-CG2 4.12Å; L85-I111 HydrophobicContact CD1-CG2 4.49Å; L85-I111 HydrophobicContact CD2-CD1 4.45Å; F86-I111 CarbonylContact O-C 3.51Å; F86-I111 VanDerWaalsContact O-CA 3.23Å; F86-I111 WeakPolarHBondContact O-CA 3.45Å; F86-I111 WeakPolarHBondContact O-CB 3.24Å; F96-I111 HydrophobicContact CE2-CG2 4.23Å; F96-I111 HydrophobicContact CZ-CG2 3.96Å; F109-I111 HydrophobicContact CD2-CG2 3.57Å; F109-I111 HydrophobicContact CE2-CG2 3.62Å; I111-D113 PolarHBondContact O-N 3.12Å; I111-G120 PolarHBondContact N-O 3.46Å; I111-G120 PolarHBondContact O-N 3.38Å; I111-I122 HydrophobicContact CD1-CD1 3.99Å; I111-I122 HydrophobicContact CD1-CG1 3.85Å; I111-I122 HydrophobicContact CG2-CG1 4.45Å; I111-H153 WeakPolarHBondContact CD1-CE1 3.44Å; I111-H153 WeakPolarHBondContact CD1-ND1 3.37Å
112D91.9Very high92.8Very high26 Ų2642.2 Ų42.214%0.13924%0.237CC..  trans-61127.9165.6-168.849.2000109.1F86 K89F86-D112 HydrophobicContact CB-CB 4.27Å; F86-D112 PolarHBondContact O-N 2.94Å; K89-D112 WeakPolarHBondContact CE-OD2 3.4Å; K89-D112 IonicContact NZ-OD1 2.81Å; K89-D112 IonicContact NZ-OD2 2.76Å; K89-D112 PolarHBondContact NZ-OD2 3.37Å
113D89.1Confident92.8Very high36 Ų3643.6 Ų43.619%0.19324%0.241CC..  trans-12197171.6-176.5-4.3000108.4I111 Q115 S116I111-D113 PolarHBondContact O-N 3.12Å; D113-Q115 PolarHBondContact O-N 3.18Å; D113-Q115 VanDerWaalsContact O-N 3.15Å; D113-Q115 PolarHBondContact OD1-N 2.86Å; D113-S116 PolarHBondContact O-N 3.44Å; D113-S116 VanDerWaalsContact O-N 3.13Å; D113-S116 VanDerWaalsContact O-O 3.07Å; D113-S116 WeakPolarHBondContact OD2-CB 3.4Å
114P85.7Confident92.8Very high89 Ų8942 Ų4258%0.57822%0.224SC*.THydrogen-bonded Turntrans-69-11-17728.8-34.9000113.2
115Q85.3Confident92.8Very high146 Ų14642.5 Ų42.568%0.68222%0.222SC*.THydrogen-bonded Turntrans-92-5.2177.1-61.1-175-6.400112.5D113 L154D113-Q115 PolarHBondContact O-N 3.18Å; D113-Q115 VanDerWaalsContact O-N 3.15Å; D113-Q115 PolarHBondContact OD1-N 2.86Å; Q115-L154 VanDerWaalsContact CD-CD2 3.44Å; Q115-L154 HydrophobicContact CG-CD2 3.8Å
116S83.8Confident92.8Very high57 Ų5745.2 Ų45.240%0.39923%0.233SC..SBendtrans-125.8155-175.8-176.70000111.7D113 L118D113-S116 PolarHBondContact O-N 3.44Å; D113-S116 VanDerWaalsContact O-N 3.13Å; D113-S116 VanDerWaalsContact O-O 3.07Å; D113-S116 WeakPolarHBondContact OD2-CB 3.4Å; S116-L118 VanDerWaalsContact C-N 3.27Å; S116-L118 WeakPolarHBondContact CB-O 3.22Å; S116-L118 PolarHBondContact OG-N 2.99Å; S116-L118 VanDerWaalsContact OG-N 3.12Å; S116-L118 PolarHBondContact OG-O 3.38Å
117F82.9Confident92.7Very high186 Ų18651.1 Ų51.182%0.81626%0.26SS*.SBendtrans-77.1-18.5168.7-68.2-75000112.5
118L86.6Confident92.5Very high60 Ų6054.1 Ų54.131%0.31428%0.276SS..SBendtrans-105.4156.1179.8-58.6-178.5000110S116 Y244 R246S116-L118 VanDerWaalsContact C-N 3.27Å; S116-L118 WeakPolarHBondContact CB-O 3.22Å; S116-L118 PolarHBondContact OG-N 2.99Å; S116-L118 VanDerWaalsContact OG-N 3.12Å; S116-L118 PolarHBondContact OG-O 3.38Å; L118-Y244 VanDerWaalsContact CD2-O 3.27Å; L118-Y244 WeakPolarHBondContact CD2-O 3.43Å; L118-R246 HydrophobicContact CD2-CB 4.44Å; L118-R246 HydrophobicContact CD2-CG 4.07Å
119W90.8Very high92.5Very high64 Ų6454.1 Ų54.124%0.24228%0.276CS..  trans-65.1145.1171.1-55.6-20.1000110.1P88 D90 L93 F110P88-W119 HydrophobicContact CB-CD2 3.43Å; P88-W119 VanDerWaalsContact CB-CD2 3.43Å; P88-W119 HydrophobicContact CB-CE3 3.95Å; P88-W119 HydrophobicContact CB-CG 3.72Å; P88-W119 HydrophobicContact CB-CH2 4.36Å; P88-W119 HydrophobicContact CB-CZ2 3.88Å; P88-W119 HydrophobicContact CB-CZ3 4.39Å; P88-W119 HydrophobicContact CG-CB 4.35Å; P88-W119 HydrophobicContact CG-CD2 3.65Å; P88-W119 HydrophobicContact CG-CE3 3.76Å; P88-W119 HydrophobicContact CG-CG 3.91Å; P88-W119 HydrophobicContact CG-CZ3 4.34Å; D90-W119 HydrophobicContact CB-CH2 4.38Å; D90-W119 HydrophobicContact CB-CZ2 3.85Å; L93-W119 HydrophobicContact CD1-CH2 3.36Å; L93-W119 HydrophobicContact CD1-CZ2 4.08Å; L93-W119 HydrophobicContact CD1-CZ3 3.79Å; L93-W119 HydrophobicContact CG-CH2 4.46Å; F110-W119 HydrophobicContact CB-CE3 4.21Å; F110-W119 HydrophobicContact CG-CE3 4.24Å
120G91.8Very high92.4Very high11 Ų1158.2 Ų58.211%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-78.4167166.400000110.5F110 I111F110-G120 CarbonylContact C-O 3.59Å; F110-G120 VanDerWaalsContact CA-O 3.31Å; F110-G120 WeakPolarHBondContact CA-O 3.27Å; I111-G120 PolarHBondContact N-O 3.46Å; I111-G120 PolarHBondContact O-N 3.38Å
121S93.8Very high92.5Very high46 Ų4660.8 Ų60.832%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-139.2150.6170.950.20000110.7F109 H123F109-S121 WeakPolarHBondContact O-CA 3.41Å; S121-H123 PolarHBondContact OG-CE1 2.99Å; S121-H123 VanDerWaalsContact OG-CE1 3.3Å
122I96.1Very high92.6Very high10 Ų1061.2 Ų61.25%0.05131%0.309CS..EExtended strand (participates in β ladder)trans-118.3135.4173-60-65.2000107.5L85 S108 F109 I111 L124 I151 H153L85-I122 HydrophobicContact CD1-CG1 4.2Å; S108-I122 WeakPolarHBondContact CA-O 3.45Å; F109-I122 HydrophobicContact CD1-CB 4.24Å; F109-I122 HydrophobicContact CD2-CB 4.24Å; F109-I122 HydrophobicContact CD2-CG1 4.41Å; F109-I122 HydrophobicContact CE1-CB 3.75Å; F109-I122 HydrophobicContact CE1-CG2 3.68Å; F109-I122 HydrophobicContact CE2-CB 3.77Å; F109-I122 HydrophobicContact CE2-CG1 3.72Å; F109-I122 HydrophobicContact CE2-CG2 4.36Å; F109-I122 HydrophobicContact CG-CB 4.47Å; F109-I122 HydrophobicContact CZ-CB 3.5Å; F109-I122 VanDerWaalsContact CZ-CB 3.5Å; F109-I122 HydrophobicContact CZ-CG1 3.79Å; F109-I122 HydrophobicContact CZ-CG2 3.59Å; F109-I122 PolarHBondContact N-O 3.48Å; F109-I122 VanDerWaalsContact N-O 3.09Å; F109-I122 PolarHBondContact O-N 3.2Å; I111-I122 HydrophobicContact CD1-CD1 3.99Å; I111-I122 HydrophobicContact CD1-CG1 3.85Å; I111-I122 HydrophobicContact CG2-CG1 4.45Å; I122-L124 HydrophobicContact CG2-CD2 3.8Å; I122-L124 HydrophobicContact CG2-CG 4.33Å; I122-I151 HydrophobicContact CD1-CD1 4.29Å; I122-I151 HydrophobicContact CG2-CD1 3.74Å; I122-H153 HydrophobicContact CD1-CB 4.33Å
123H97Very high92.9Very high71 Ų7160.2 Ų60.233%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-125.3123.6176.6-5985.4000109.4E6 S121E6-H123 IonicContact OE1-CD2 3.4Å; E6-H123 IonicContact OE1-CE1 2.66Å; E6-H123 IonicContact OE1-NE2 2.82Å; E6-H123 PolarHBondContact OE1-NE2 2.94Å; E6-H123 IonicContact OE2-NE2 2.74Å; S121-H123 PolarHBondContact OG-CE1 2.99Å; S121-H123 VanDerWaalsContact OG-CE1 3.3Å
124L97.6Very high93.3Very high1 Ų159.8 Ų59.81%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-109.489.7176.2-47.4179.4000107.5V107 I122 V145 L147 I151 V161V107-L124 HydrophobicContact CB-CB 4.21Å; V107-L124 HydrophobicContact CB-CD1 4.38Å; V107-L124 HydrophobicContact CG1-CD1 4.47Å; V107-L124 PolarHBondContact N-O 3.46Å; V107-L124 PolarHBondContact O-N 3.2Å; I122-L124 HydrophobicContact CG2-CD2 3.8Å; I122-L124 HydrophobicContact CG2-CG 4.33Å; L124-V145 HydrophobicContact CD1-CB 4.22Å; L124-V145 HydrophobicContact CD1-CG1 4.32Å; L124-V145 HydrophobicContact CD1-CG2 4.14Å; L124-L147 HydrophobicContact CD2-CD1 4.03Å; L124-L147 HydrophobicContact CD2-CD2 4.26Å; L124-I151 HydrophobicContact CD2-CD1 4.13Å; L124-V161 HydrophobicContact CD1-CB 4.18Å; L124-V161 HydrophobicContact CD1-CG1 4.18Å; L124-V161 HydrophobicContact CD1-CG2 4.5Å; L124-V161 HydrophobicContact CD2-CB 4.35Å; L124-V161 HydrophobicContact CD2-CG2 3.78Å
125Q96.9Very high93.7Very high55 Ų5559.8 Ų59.826%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-76.1136.5-179-65.2-67.632.300111.4C106 E127 D128 V129C106-Q125 PolarHBondContact SG-OE1 3.09Å; C106-Q125 VanDerWaalsContact SG-OE1 3.38Å; Q125-E127 HydrophobicContact CB-CG 4.13Å; Q125-E127 PolarHBondContact O-N 3.2Å; Q125-D128 HydrophobicContact CB-CB 4.45Å; Q125-D128 WeakPolarHBondContact O-CA 3.36Å; Q125-D128 PolarHBondContact O-N 2.94Å; Q125-V129 WeakPolarHBondContact O-CG2 3.31Å; Q125-V129 PolarHBondContact O-N 3.18Å; Q125-V129 VanDerWaalsContact O-N 3.11Å
126M96.9Very high94.2Very high66 Ų6658.7 Ų58.733%0.32529%0.286SS..G310 helixtrans-51.7-42.4-179.5174.8-174.967.500112.2G105 D128 V129 F181 N182G105-M126 VanDerWaalsContact O-CB 3.22Å; G105-M126 WeakPolarHBondContact O-CB 3.42Å; G105-M126 PolarHBondContact O-N 3.02Å; M126-D128 PolarHBondContact O-N 2.81Å; M126-V129 PolarHBondContact O-N 3.18Å; M126-F181 WeakPolarHBondContact CG-O 3.48Å; M126-N182 HydrophobicContact SD-CB 3.74Å
127E95.9Very high94.6Very high126 Ų12662.1 Ų62.159%0.58929%0.294SS*.G310 helixtrans-63.2-2817857.3-93.3-146.800113.8Q125Q125-E127 HydrophobicContact CB-CG 4.13Å; Q125-E127 PolarHBondContact O-N 3.2Å
128D95.9Very high95Very high62 Ų6260.8 Ų60.833%0.33229%0.29SS..G310 helixtrans-91.9-12.5178.9-77-47000112.7Q125 M126 D130 L147 T148 N149Q125-D128 HydrophobicContact CB-CB 4.45Å; Q125-D128 WeakPolarHBondContact O-CA 3.36Å; Q125-D128 PolarHBondContact O-N 2.94Å; M126-D128 PolarHBondContact O-N 2.81Å; D128-D130 PolarHBondContact O-N 3.15Å; D128-L147 CarbonylContact O-C 3.47Å; D128-L147 VanDerWaalsContact O-CA 3.28Å; D128-L147 WeakPolarHBondContact O-CA 3.37Å; D128-T148 PolarHBondContact O-N 2.84Å; D128-T148 PolarHBondContact O-OG1 3.33Å; D128-N149 PolarHBondContact OD1-ND2 2.94Å
129V96.9Very high95.2Very high2 Ų263.6 Ų63.61%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-75.5123.7176173.60000109.6Q125 M126 V145 R146 L147 F181 K183Q125-V129 WeakPolarHBondContact O-CG2 3.31Å; Q125-V129 PolarHBondContact O-N 3.18Å; Q125-V129 VanDerWaalsContact O-N 3.11Å; M126-V129 PolarHBondContact O-N 3.18Å; V129-V145 HydrophobicContact CB-CG1 4.42Å; V129-V145 HydrophobicContact CG1-CG1 3.99Å; V129-V145 HydrophobicContact CG2-CG1 3.59Å; V129-R146 CarbonylContact C-O 3.59Å; V129-L147 HydrophobicContact CG2-CD2 3.89Å; V129-F181 HydrophobicContact CB-CD1 4.42Å; V129-F181 HydrophobicContact CG2-CD1 3.83Å; V129-F181 HydrophobicContact CG2-CE1 3.64Å; V129-F181 HydrophobicContact CG2-CZ 4.31Å; V129-K183 PolarHBondContact O-NZ 3.39Å
130D96.1Very high95.5Very high87 Ų8762.5 Ų62.547%0.46530%0.303SS..EExtended strand (participates in β ladder)trans-73.8-62.7169.1177.418000109.1D128 R146 K183D128-D130 PolarHBondContact O-N 3.15Å; D130-R146 HydrophobicContact CB-CB 4.46Å; D130-R146 HydrophobicContact CB-CG 4.08Å; D130-R146 PolarHBondContact N-O 2.99Å; D130-K183 PolarHBondContact O-NZ 2.76Å
131Y96.4Very high95.8Very high75 Ų7562.1 Ų62.129%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-149.8164.8172.868.2-91000111.2R146Y131-R146 HydrophobicContact CD1-CB 3.92Å; Y131-R146 HydrophobicContact CD1-CG 4.15Å; Y131-R146 HydrophobicContact CD2-CB 4.37Å; Y131-R146 HydrophobicContact CE1-CB 3.61Å; Y131-R146 HydrophobicContact CE1-CG 3.63Å; Y131-R146 HydrophobicContact CE2-CB 4.08Å; Y131-R146 HydrophobicContact CG-CB 4.27Å; Y131-R146 PolarHBondContact N-O 2.85Å; Y131-R146 PolarHBondContact O-N 3.38Å; Y131-R146 PolarHBondContact OH-NE 3.36Å; Y131-R146 PolarHBondContact OH-NH2 3.14Å
132Y97.9Very high96Very high9 Ų961 Ų614%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-130.8161.1168.676.8-82.1000110.8L134 L143 C144 A177 G178 F181 K183 A185 S186Y132-L134 HydrophobicContact CE2-CD1 4.34Å; Y132-L143 HydrophobicContact CD2-CD1 3.63Å; Y132-L143 HydrophobicContact CE2-CD1 4.49Å; Y132-L143 HydrophobicContact CG-CD1 4.32Å; Y132-C144 CarbonylContact C-O 3.58Å; Y132-C144 WeakPolarHBondContact CA-O 3.43Å; Y132-A177 HydrophobicContact CD2-CB 4.38Å; Y132-A177 HydrophobicContact CE2-CB 3.86Å; Y132-G178 WeakPolarHBondContact OH-CA 3.46Å; Y132-F181 HydrophobicContact CD1-CB 3.94Å; Y132-F181 AromaticContact CD1-CD2 3.54Å; Y132-F181 HydrophobicContact CD1-CD2 3.54Å; Y132-F181 HydrophobicContact CD1-CE2 4.42Å; Y132-F181 HydrophobicContact CD1-CG 4.09Å; Y132-F181 HydrophobicContact CD2-CD2 4.25Å; Y132-F181 HydrophobicContact CE1-CB 3.85Å; Y132-F181 AromaticContact CE1-CD2 3.91Å; Y132-F181 HydrophobicContact CE1-CD2 3.91Å; Y132-F181 HydrophobicContact CE1-CG 4.36Å; Y132-F181 AromaticContact CG-CD2 3.74Å; Y132-F181 HydrophobicContact CG-CD2 3.74Å; Y132-F181 HydrophobicContact CG-CE2 4.21Å; Y132-K183 HydrophobicContact CE1-CB 4.09Å; Y132-K183 WeakPolarHBondContact CE1-O 3.47Å; Y132-K183 PolarHBondContact OH-O 3.14Å; Y132-K183 VanDerWaalsContact OH-O 3.06Å; Y132-A185 HydrophobicContact CD2-CB 4.28Å; Y132-A185 HydrophobicContact CE2-CB 3.64Å; Y132-S186 PolarHBondContact O-N 3.02Å
133S97.3Very high96.1Very high6 Ų660.5 Ų60.54%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-142.8148.2173.361.80000110.6C144S133-C144 PolarHBondContact N-O 3.28Å; S133-C144 PolarHBondContact O-N 3.39Å
134L97.1Very high96.1Very high26 Ų2657.6 Ų57.614%0.13628%0.275CS..EExtended strand (participates in β ladder)trans-110.6130.8172.3-73163000108.6Y132 M141 V142 L143 L173 E174Y132-L134 HydrophobicContact CE2-CD1 4.34Å; L134-M141 HydrophobicContact CB-CE 4.37Å; L134-V142 CarbonylContact C-O 3.34Å; L134-V142 WeakPolarHBondContact CA-O 3.4Å; L134-L143 HydrophobicContact CD2-CB 3.73Å; L134-L143 HydrophobicContact CD2-CD1 3.86Å; L134-L143 HydrophobicContact CD2-CG 4.34Å; L134-L143 HydrophobicContact CG-CD1 4.19Å; L134-L173 HydrophobicContact CD2-CD2 3.55Å; L134-L173 HydrophobicContact CD2-CG 3.75Å; L134-E174 HydrophobicContact CD1-CB 4.22Å; L134-E174 HydrophobicContact CD1-CG 3.57Å
135K95.6Very high96.1Very high90 Ų9057.6 Ų57.639%0.39127%0.274SS..EExtended strand (participates in β ladder)trans-135.2129.6-177-64176.2-173.7169.20110V142K135-V142 PolarHBondContact N-O 3.38Å; K135-V142 PolarHBondContact O-N 3.35Å
136F95.2Very high96.2Very high123 Ų12359.3 Ų59.354%0.53928%0.279SS..EExtended strand (participates in β ladder)trans-85.5119.5165.7-173.3-107.8000109.2E140 M141 P167F136-E140 WeakPolarHBondContact CA-O 3.34Å; F136-M141 HydrophobicContact CB-SD 3.76Å; F136-M141 HydrophobicContact CD2-CG 4.18Å; F136-M141 HydrophobicContact CD2-SD 3.57Å; F136-M141 VanDerWaalsContact CD2-SD 3.57Å; F136-M141 HydrophobicContact CG-SD 4.14Å; F136-P167 HydrophobicContact CE2-CB 3.9Å; F136-P167 HydrophobicContact CE2-CG 3.7Å
137K91.9Very high96.2Very high129 Ų12956.4 Ų56.456%0.56126%0.264SS*.EExtended strand (participates in β ladder)trans-146.2134.8179.2-177.5-178.2175-168.70109.7N139 E140K137-N139 PolarHBondContact O-N 2.82Å; K137-E140 PolarHBondContact N-O 2.92Å; K137-E140 PolarHBondContact O-N 2.99Å
138Q90.6Very high96.2Very high158 Ų15854.2 Ų54.274%0.73826%0.26SS*.THydrogen-bonded Turntrans53.438.5174.3-68.5170.7-44.100113.7E140Q138-E140 PolarHBondContact O-N 2.74Å
139N92.7Very high96.1Very high118 Ų11855.9 Ų55.963%0.63127%0.268SS*.THydrogen-bonded Turntrans6229-176.4-158.461.8000114.2K137 P167K137-N139 PolarHBondContact O-N 2.82Å; N139-P167 WeakPolarHBondContact O-CD 3.31Å; N139-P167 WeakPolarHBondContact O-CG 3.19Å
140E95.9Very high95.9Very high41 Ų4157 Ų5719%0.19228%0.276CS..EExtended strand (participates in β ladder)trans-131.6149.4174.4-60.8180144.100109.5K77 F136 K137 Q138 T164K77-E140 IonicContact NZ-OE1 3.09Å; K77-E140 PolarHBondContact NZ-OE1 3.15Å; K77-E140 IonicContact NZ-OE2 3.84Å; K77-E140 PolarHBondContact NZ-OE2 3.23Å; F136-E140 WeakPolarHBondContact CA-O 3.34Å; K137-E140 PolarHBondContact N-O 2.92Å; K137-E140 PolarHBondContact O-N 2.99Å; Q138-E140 PolarHBondContact O-N 2.74Å; E140-T164 HydrophobicContact CB-CG2 3.63Å; E140-T164 HydrophobicContact CG-CG2 4.02Å; E140-T164 WeakPolarHBondContact OE2-CG2 3.34Å
141M97.7Very high95.8Very high4 Ų454.5 Ų54.52%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-95.5123.4171.1-76.8-61.4-56.400109.9L134 F136 T164 F165 P167 Q170 L173L134-M141 HydrophobicContact CB-CE 4.37Å; F136-M141 HydrophobicContact CB-SD 3.76Å; F136-M141 HydrophobicContact CD2-CG 4.18Å; F136-M141 HydrophobicContact CD2-SD 3.57Å; F136-M141 VanDerWaalsContact CD2-SD 3.57Å; F136-M141 HydrophobicContact CG-SD 4.14Å; M141-T164 CarbonylContact O-C 3.6Å; M141-T164 WeakPolarHBondContact O-CA 3.49Å; M141-F165 HydrophobicContact CB-CB 4.45Å; M141-F165 PolarHBondContact N-O 2.89Å; M141-F165 PolarHBondContact O-N 3.18Å; M141-P167 HydrophobicContact CG-CB 4.44Å; M141-Q170 HydrophobicContact CE-CB 4.42Å; M141-Q170 HydrophobicContact CE-CG 3.83Å; M141-Q170 HydrophobicContact CG-CB 4.04Å; M141-Q170 HydrophobicContact CG-CG 4.43Å; M141-Q170 HydrophobicContact SD-CB 4.29Å; M141-Q170 HydrophobicContact SD-CG 4.05Å; M141-L173 HydrophobicContact CB-CD2 4.29Å
142V97.9Very high95.4Very high21 Ų2155.2 Ų55.213%0.12727%0.269CS..EExtended strand (participates in β ladder)trans-115.7117.6-176.5-1750000110.3L134 K135 E162 L163 T164L134-V142 CarbonylContact C-O 3.34Å; L134-V142 WeakPolarHBondContact CA-O 3.4Å; K135-V142 PolarHBondContact N-O 3.38Å; K135-V142 PolarHBondContact O-N 3.35Å; V142-E162 HydrophobicContact CG1-CB 4.46Å; V142-L163 CarbonylContact C-O 3.51Å; V142-L163 WeakPolarHBondContact CA-O 3.31Å; V142-T164 HydrophobicContact CG2-CG2 4.37Å
143L98.4Very high94.8Very high0 Ų056 Ų560%027%0.273CS..EExtended strand (participates in β ladder)trans-89.7116.1166.1173.259.5000109F100 Y132 L134 V145 E162 L163 F165 L173F100-L143 HydrophobicContact CE1-CD2 3.76Å; F100-L143 HydrophobicContact CZ-CD2 3.89Å; Y132-L143 HydrophobicContact CD2-CD1 3.63Å; Y132-L143 HydrophobicContact CE2-CD1 4.49Å; Y132-L143 HydrophobicContact CG-CD1 4.32Å; L134-L143 HydrophobicContact CD2-CB 3.73Å; L134-L143 HydrophobicContact CD2-CD1 3.86Å; L134-L143 HydrophobicContact CD2-CG 4.34Å; L134-L143 HydrophobicContact CG-CD1 4.19Å; L143-V145 HydrophobicContact CD1-CG2 4.03Å; L143-V145 HydrophobicContact CD2-CG2 4.23Å; L143-V145 HydrophobicContact CG-CG2 3.88Å; L143-E162 CarbonylContact O-C 3.51Å; L143-E162 WeakPolarHBondContact O-CA 3.23Å; L143-L163 HydrophobicContact CB-CB 4.37Å; L143-L163 HydrophobicContact CD2-CD1 4.31Å; L143-L163 PolarHBondContact N-O 3.02Å; L143-L163 PolarHBondContact O-N 2.91Å; L143-F165 HydrophobicContact CB-CE2 4.13Å; L143-L173 HydrophobicContact CD2-CD1 4.19Å
144C97.8Very high94.1Very high11 Ų1158.8 Ų58.87%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-108.8119.2174.2-179.70000108.7Y132 S133 E162Y132-C144 CarbonylContact C-O 3.58Å; Y132-C144 WeakPolarHBondContact CA-O 3.43Å; S133-C144 PolarHBondContact N-O 3.28Å; S133-C144 PolarHBondContact O-N 3.39Å; C144-E162 HydrophobicContact CB-CG 4.38Å
145V97.9Very high93.5Very high0 Ų064.8 Ų64.80%032%0.32CS..EExtended strand (participates in β ladder)trans-111.7120.5179.9-173.50000108.7L124 V129 L143 L147 V160 V161 F181L124-V145 HydrophobicContact CD1-CB 4.22Å; L124-V145 HydrophobicContact CD1-CG1 4.32Å; L124-V145 HydrophobicContact CD1-CG2 4.14Å; V129-V145 HydrophobicContact CB-CG1 4.42Å; V129-V145 HydrophobicContact CG1-CG1 3.99Å; V129-V145 HydrophobicContact CG2-CG1 3.59Å; L143-V145 HydrophobicContact CD1-CG2 4.03Å; L143-V145 HydrophobicContact CD2-CG2 4.23Å; L143-V145 HydrophobicContact CG-CG2 3.88Å; V145-L147 HydrophobicContact CG1-CD2 4.12Å; V145-V160 WeakPolarHBondContact O-CA 3.45Å; V145-V161 PolarHBondContact N-O 3.31Å; V145-V161 PolarHBondContact O-N 3.27Å; V145-F181 HydrophobicContact CG1-CZ 4.17Å; V145-F181 HydrophobicContact CG2-CE2 3.97Å; V145-F181 HydrophobicContact CG2-CZ 3.98Å
146R97.4Very high93.2Very high92 Ų9261.9 Ų61.935%0.34731%0.309SS..EExtended strand (participates in β ladder)trans-96.2128.6171.9-17976.172.4174.30.6108.9V129 D130 Y131 H159V129-R146 CarbonylContact C-O 3.59Å; D130-R146 HydrophobicContact CB-CB 4.46Å; D130-R146 HydrophobicContact CB-CG 4.08Å; D130-R146 PolarHBondContact N-O 2.99Å; Y131-R146 HydrophobicContact CD1-CB 3.92Å; Y131-R146 HydrophobicContact CD1-CG 4.15Å; Y131-R146 HydrophobicContact CD2-CB 4.37Å; Y131-R146 HydrophobicContact CE1-CB 3.61Å; Y131-R146 HydrophobicContact CE1-CG 3.63Å; Y131-R146 HydrophobicContact CE2-CB 4.08Å; Y131-R146 HydrophobicContact CG-CB 4.27Å; Y131-R146 PolarHBondContact N-O 2.85Å; Y131-R146 PolarHBondContact O-N 3.38Å; Y131-R146 PolarHBondContact OH-NE 3.36Å; Y131-R146 PolarHBondContact OH-NH2 3.14Å; R146-H159 CarbonylContact C-O 3.54Å; R146-H159 WeakPolarHBondContact CA-O 3.41Å
147L96.8Very high93.1Very high4 Ų463.9 Ų63.92%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-102.6143.8177.2-55.1175.3000111L124 D128 V129 V145 N149 I151 H159L124-L147 HydrophobicContact CD2-CD1 4.03Å; L124-L147 HydrophobicContact CD2-CD2 4.26Å; D128-L147 CarbonylContact O-C 3.47Å; D128-L147 VanDerWaalsContact O-CA 3.28Å; D128-L147 WeakPolarHBondContact O-CA 3.37Å; V129-L147 HydrophobicContact CG2-CD2 3.89Å; V145-L147 HydrophobicContact CG1-CD2 4.12Å; L147-N149 WeakPolarHBondContact CB-O 3.46Å; L147-I151 HydrophobicContact CD1-CB 4.43Å; L147-I151 HydrophobicContact CD1-CD1 4.1Å; L147-I151 HydrophobicContact CD1-CG1 4.07Å; L147-I151 HydrophobicContact CD1-CG2 3.67Å; L147-H159 PolarHBondContact N-O 3Å; L147-H159 PolarHBondContact O-ND1 3.46Å
148T96.3Very high93.2Very high81 Ų8158.2 Ų58.250%0.49729%0.29SS..EExtended strand (participates in β ladder)trans-63.9-45.3172.7-52.30000110.2D128 H159D128-T148 PolarHBondContact O-N 2.84Å; D128-T148 PolarHBondContact O-OG1 3.33Å; T148-H159 PolarHBondContact O-CE1 2.86Å; T148-H159 VanDerWaalsContact O-CE1 3.28Å; T148-H159 PolarHBondContact O-ND1 2.95Å
149N93.6Very high93.5Very high96 Ų9654.4 Ų54.451%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-106.4139.2175.9-63.5-57.2000110.3D128 L147D128-N149 PolarHBondContact OD1-ND2 2.94Å; L147-N149 WeakPolarHBondContact CB-O 3.46Å
150P93.6Very high93.7Very high26 Ų2649.7 Ų49.717%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-75.9140.7179.430.5-29.8000110.6R157 S158 H159P150-R157 HydrophobicContact CB-CG 3.75Å; P150-R157 HydrophobicContact CG-CG 4.05Å; P150-R157 VanDerWaalsContact CG-NE 3.27Å; P150-R157 VanDerWaalsContact CG-NH2 3.33Å; P150-S158 CarbonylContact C-O 3.5Å; P150-S158 WeakPolarHBondContact CA-O 3.31Å; P150-S158 WeakPolarHBondContact CB-O 3.38Å; P150-H159 WeakPolarHBondContact CD-CE1 3.31Å
151I93.1Very high93.8Very high35 Ų3547.8 Ų47.818%0.17924%0.238CC..EExtended strand (participates in β ladder)trans-91.8153.2169.262.8177.2000110.5L80 I122 L124 L147 R157 S158 V161L80-I151 HydrophobicContact CD1-CD1 3.77Å; L80-I151 HydrophobicContact CD1-CG1 3.59Å; L80-I151 HydrophobicContact CD2-CG1 4.45Å; I122-I151 HydrophobicContact CD1-CD1 4.29Å; I122-I151 HydrophobicContact CG2-CD1 3.74Å; L124-I151 HydrophobicContact CD2-CD1 4.13Å; L147-I151 HydrophobicContact CD1-CB 4.43Å; L147-I151 HydrophobicContact CD1-CD1 4.1Å; L147-I151 HydrophobicContact CD1-CG1 4.07Å; L147-I151 HydrophobicContact CD1-CG2 3.67Å; I151-R157 WeakPolarHBondContact O-CA 3.4Å; I151-S158 PolarHBondContact N-O 3.08Å; I151-S158 PolarHBondContact O-N 2.93Å; I151-V161 HydrophobicContact CD1-CG2 3.73Å
152M89.7Confident93.8Very high90 Ų9051.4 Ų51.444%0.44326%0.255SS..EExtended strand (participates in β ladder)trans-112.5129.1179.4-66.1-69.2-53.400108.8T156 R157M152-T156 WeakPolarHBondContact CA-O 3.38Å; M152-R157 HydrophobicContact CE-CB 4.23Å; M152-R157 HydrophobicContact SD-CB 3.31Å; M152-R157 WeakPolarHBondContact SD-CB 3.42Å; M152-R157 HydrophobicContact SD-CG 3.36Å; M152-R157 WeakPolarHBondContact SD-CG 3.4Å
153H84.6Confident93.8Very high25 Ų2550.4 Ų50.412%0.11625%0.249CC..EExtended strand (participates in β ladder)trans-139.4127.3164.1179.865.7000109.1L80 L85 I111 I122 N155 T156L80-H153 HydrophobicContact CD2-CB 3.82Å; L85-H153 VanDerWaalsContact CD2-CD2 3.45Å; L85-H153 WeakPolarHBondContact CD2-CD2 3.19Å; I111-H153 WeakPolarHBondContact CD1-CE1 3.44Å; I111-H153 WeakPolarHBondContact CD1-ND1 3.37Å; I122-H153 HydrophobicContact CD1-CB 4.33Å; H153-N155 PolarHBondContact O-N 3.39Å; H153-T156 PolarHBondContact N-O 3.38Å; H153-T156 PolarHBondContact O-N 3.24Å
154L82.4Confident93.8Very high65 Ų6550.9 Ų50.934%0.3425%0.252SS..THydrogen-bonded Turntrans50.3-121.9-167.5-57.9169.1000110.2Q115Q115-L154 VanDerWaalsContact CD-CD2 3.44Å; Q115-L154 HydrophobicContact CG-CD2 3.8Å
155N84.1Confident93.9Very high152 Ų15250.3 Ų50.381%0.81325%0.249SC*.THydrogen-bonded Turntrans-97.810.3178.7-65.8-24000113.2H153H153-N155 PolarHBondContact O-N 3.39Å
156T88.9Confident93.9Very high28 Ų2853.3 Ų53.317%0.17226%0.264CS..EExtended strand (participates in β ladder)trans-104.2121.7-176.2-58.90000110.6L80 T83 M152 H153L80-T156 HydrophobicContact CB-CG2 4.44Å; L80-T156 HydrophobicContact CD2-CG2 3.99Å; L80-T156 HydrophobicContact CG-CG2 4.02Å; L80-T156 WeakPolarHBondContact O-CG2 3.34Å; T83-T156 PolarHBondContact OG1-OG1 3.49Å; M152-T156 WeakPolarHBondContact CA-O 3.38Å; H153-T156 PolarHBondContact N-O 3.38Å; H153-T156 PolarHBondContact O-N 3.24Å
157R93.3Very high93.9Very high165 Ų16550.4 Ų50.462%0.62326%0.257SS*.EExtended strand (participates in β ladder)trans-107122.3171.7-171170.6-179.1106.3-3.2109P150 I151 M152P150-R157 HydrophobicContact CB-CG 3.75Å; P150-R157 HydrophobicContact CG-CG 4.05Å; P150-R157 VanDerWaalsContact CG-NE 3.27Å; P150-R157 VanDerWaalsContact CG-NH2 3.33Å; I151-R157 WeakPolarHBondContact O-CA 3.4Å; M152-R157 HydrophobicContact CE-CB 4.23Å; M152-R157 HydrophobicContact SD-CB 3.31Å; M152-R157 WeakPolarHBondContact SD-CB 3.42Å; M152-R157 HydrophobicContact SD-CG 3.36Å; M152-R157 WeakPolarHBondContact SD-CG 3.4Å
158S94.5Very high93.9Very high11 Ų1157.4 Ų57.48%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-147.8146.9180-176.50000112.7S81 P150 I151 V160S81-S158 PolarHBondContact N-OG 3.5Å; P150-S158 CarbonylContact C-O 3.5Å; P150-S158 WeakPolarHBondContact CA-O 3.31Å; P150-S158 WeakPolarHBondContact CB-O 3.38Å; I151-S158 PolarHBondContact N-O 3.08Å; I151-S158 PolarHBondContact O-N 2.93Å; S158-V160 PolarHBondContact OG-N 3.28Å; S158-V160 PolarHBondContact OG-O 3.12Å
159H96.4Very high93.9Very high78 Ų7854.7 Ų54.736%0.36127%0.272SS..EExtended strand (participates in β ladder)trans-88.7-4.1167.7-70.7-96.6000112.7R146 L147 T148 P150R146-H159 CarbonylContact C-O 3.54Å; R146-H159 WeakPolarHBondContact CA-O 3.41Å; L147-H159 PolarHBondContact N-O 3Å; L147-H159 PolarHBondContact O-ND1 3.46Å; T148-H159 PolarHBondContact O-CE1 2.86Å; T148-H159 VanDerWaalsContact O-CE1 3.28Å; T148-H159 PolarHBondContact O-ND1 2.95Å; P150-H159 WeakPolarHBondContact CD-CE1 3.31Å
160V96.9Very high94Very high19 Ų1954 Ų5412%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-125.4129.9-174-177.20000110.3S81 V145 S158 E162S81-V160 PolarHBondContact N-O 3.22Å; V145-V160 WeakPolarHBondContact O-CA 3.45Å; S158-V160 PolarHBondContact OG-N 3.28Å; S158-V160 PolarHBondContact OG-O 3.12Å; V160-E162 HydrophobicContact CG1-CG 3.97Å
161V98Very high94.1Very high0 Ų060.6 Ų60.60%029%0.294CS..EExtended strand (participates in β ladder)trans-114.4129.9165.8-178.10000108.6F79 L80 F109 L124 V145 I151 L163F79-V161 WeakPolarHBondContact O-CA 3.49Å; L80-V161 HydrophobicContact CD1-CG2 3.79Å; F109-V161 HydrophobicContact CZ-CG1 4.25Å; L124-V161 HydrophobicContact CD1-CB 4.18Å; L124-V161 HydrophobicContact CD1-CG1 4.18Å; L124-V161 HydrophobicContact CD1-CG2 4.5Å; L124-V161 HydrophobicContact CD2-CB 4.35Å; L124-V161 HydrophobicContact CD2-CG2 3.78Å; V145-V161 PolarHBondContact N-O 3.31Å; V145-V161 PolarHBondContact O-N 3.27Å; I151-V161 HydrophobicContact CD1-CG2 3.73Å; V161-L163 HydrophobicContact CG1-CD2 3.95Å; V161-L163 HydrophobicContact CG1-CG 4.12Å
162E98Very high94.3Very high80 Ų8060.9 Ų60.937%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-114.2129.1172.9-60.4-169.6146.400109.5A78 F79 V142 L143 C144 V160A78-E162 CarbonylContact C-O 3.52Å; A78-E162 VanDerWaalsContact CA-O 3.31Å; A78-E162 WeakPolarHBondContact CA-O 3.44Å; F79-E162 HydrophobicContact CB-CB 4.37Å; F79-E162 PolarHBondContact N-O 3.31Å; F79-E162 PolarHBondContact O-N 2.9Å; V142-E162 HydrophobicContact CG1-CB 4.46Å; L143-E162 CarbonylContact O-C 3.51Å; L143-E162 WeakPolarHBondContact O-CA 3.23Å; C144-E162 HydrophobicContact CB-CG 4.38Å; V160-E162 HydrophobicContact CG1-CG 3.97Å
163L98.6Very high94.6Very high0 Ų056.6 Ų56.60%027%0.274CS..EExtended strand (participates in β ladder)trans-123.1125.3179.2-57.1176.7000108.5A78 I98 V107 F109 V142 L143 V161 F165A78-L163 HydrophobicContact CB-CD2 3.51Å; I98-L163 HydrophobicContact CD1-CD2 4.21Å; I98-L163 HydrophobicContact CG2-CD1 3.97Å; V107-L163 HydrophobicContact CG1-CD1 4.41Å; F109-L163 HydrophobicContact CE1-CD1 4.45Å; F109-L163 HydrophobicContact CE1-CD2 4.07Å; F109-L163 HydrophobicContact CZ-CD2 4.06Å; V142-L163 CarbonylContact C-O 3.51Å; V142-L163 WeakPolarHBondContact CA-O 3.31Å; L143-L163 HydrophobicContact CB-CB 4.37Å; L143-L163 HydrophobicContact CD2-CD1 4.31Å; L143-L163 PolarHBondContact N-O 3.02Å; L143-L163 PolarHBondContact O-N 2.91Å; V161-L163 HydrophobicContact CG1-CD2 3.95Å; V161-L163 HydrophobicContact CG1-CG 4.12Å; L163-F165 HydrophobicContact CB-CD2 4.46Å; L163-F165 HydrophobicContact CB-CE2 3.5Å; L163-F165 HydrophobicContact CB-CZ 3.88Å; L163-F165 HydrophobicContact CD1-CZ 4.38Å
164T98.5Very high95.2Very high10 Ų1059.6 Ų59.66%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-108.4132.9-176.9-57.50000110.1C75 L76 K77 E140 M141 V142C75-T164 PolarHBondContact SG-O 2.91Å; C75-T164 VanDerWaalsContact SG-O 3.34Å; L76-T164 HydrophobicContact CB-CG2 4.4Å; L76-T164 HydrophobicContact CD1-CG2 4.44Å; L76-T164 PolarHBondContact N-O 3.4Å; K77-T164 PolarHBondContact O-N 2.94Å; E140-T164 HydrophobicContact CB-CG2 3.63Å; E140-T164 HydrophobicContact CG-CG2 4.02Å; E140-T164 WeakPolarHBondContact OE2-CG2 3.34Å; M141-T164 CarbonylContact O-C 3.6Å; M141-T164 WeakPolarHBondContact O-CA 3.49Å; V142-T164 HydrophobicContact CG2-CG2 4.37Å
165F98.5Very high95.9Very high0 Ų059.1 Ų59.10%028%0.284CS..EExtended strand (participates in β ladder)trans-128.6158.8-177.1-59-91.5000110.9L73 P74 C75 I98 F100 M141 L143 L163 L173L73-F165 HydrophobicContact CB-CD1 4.08Å; L73-F165 HydrophobicContact CB-CE1 3.79Å; P74-F165 WeakPolarHBondContact O-CD1 3.44Å; C75-F165 HydrophobicContact CB-CD1 4.41Å; C75-F165 HydrophobicContact CB-CE1 4Å; C75-F165 HydrophobicContact CB-CZ 4.47Å; I98-F165 HydrophobicContact CB-CE1 4.29Å; I98-F165 HydrophobicContact CB-CZ 4.28Å; I98-F165 HydrophobicContact CG1-CE1 4Å; I98-F165 HydrophobicContact CG1-CZ 3.99Å; I98-F165 HydrophobicContact CG2-CZ 4.49Å; F100-F165 HydrophobicContact CE2-CZ 4.26Å; F100-F165 HydrophobicContact CZ-CZ 4.1Å; M141-F165 HydrophobicContact CB-CB 4.45Å; M141-F165 PolarHBondContact N-O 2.89Å; M141-F165 PolarHBondContact O-N 3.18Å; L143-F165 HydrophobicContact CB-CE2 4.13Å; L163-F165 HydrophobicContact CB-CD2 4.46Å; L163-F165 HydrophobicContact CB-CE2 3.5Å; L163-F165 HydrophobicContact CB-CZ 3.88Å; L163-F165 HydrophobicContact CD1-CZ 4.38Å; F165-L173 HydrophobicContact CB-CD2 4.27Å; F165-L173 HydrophobicContact CD2-CD1 3.98Å; F165-L173 HydrophobicContact CD2-CD2 3.49Å; F165-L173 VanDerWaalsContact CD2-CD2 3.49Å; F165-L173 HydrophobicContact CD2-CG 4.39Å; F165-L173 HydrophobicContact CE2-CD1 3.69Å; F165-L173 HydrophobicContact CE2-CD2 4.01Å; F165-L173 HydrophobicContact CG-CD1 4.5Å; F165-L173 HydrophobicContact CG-CD2 4Å; F165-L173 HydrophobicContact CZ-CD1 3.99Å
166D98Very high96.5Very high62 Ų6251.9 Ų51.933%0.33225%0.245SC..  trans-63.4138.9168.1-166.6-73.5000110.1E168 H169D166-E168 HydrophobicContact CB-CG 4.09Å; D166-E168 PolarHBondContact O-N 2.85Å; D166-E168 VanDerWaalsContact O-N 3.14Å; D166-E168 WeakPolarHBondContact OD1-CB 3.27Å; D166-E168 VanDerWaalsContact OD1-CG 3.29Å; D166-E168 WeakPolarHBondContact OD1-CG 3.37Å; D166-E168 PolarHBondContact OD1-N 3.13Å; D166-H169 PolarHBondContact O-N 3.01Å
167P97Very high97Very high31 Ų3150.6 Ų50.620%0.20124%0.237CC..G310 helixtrans-55.2-25.8177.1-26.836.2000115.2F136 N139 M141 H169 Q170F136-P167 HydrophobicContact CE2-CB 3.9Å; F136-P167 HydrophobicContact CE2-CG 3.7Å; N139-P167 WeakPolarHBondContact O-CD 3.31Å; N139-P167 WeakPolarHBondContact O-CG 3.19Å; M141-P167 HydrophobicContact CG-CB 4.44Å; P167-H169 PolarHBondContact O-N 3.15Å; P167-H169 VanDerWaalsContact O-N 3.13Å; P167-Q170 WeakPolarHBondContact O-CB 3.3Å; P167-Q170 PolarHBondContact O-N 3.38Å
168E97.2Very high97.1Very high151 Ų15144 Ų4471%0.70622%0.22SC*.G310 helixtrans-59.2-24.5176.677-175.4173.800112.9D166D166-E168 HydrophobicContact CB-CG 4.09Å; D166-E168 PolarHBondContact O-N 2.85Å; D166-E168 VanDerWaalsContact O-N 3.14Å; D166-E168 WeakPolarHBondContact OD1-CB 3.27Å; D166-E168 VanDerWaalsContact OD1-CG 3.29Å; D166-E168 WeakPolarHBondContact OD1-CG 3.37Å; D166-E168 PolarHBondContact OD1-N 3.13Å
169H96.6Very high97.2Very high25 Ų2548.4 Ų48.412%0.11624%0.235CC..G310 helixtrans-89.85.2178.9-61.1-50.7000114L73 P74 D166 P167 Q171 E172 L173L73-H169 HydrophobicContact CD2-CB 4.26Å; P74-H169 WeakPolarHBondContact CG-NE2 3.4Å; D166-H169 PolarHBondContact O-N 3.01Å; P167-H169 PolarHBondContact O-N 3.15Å; P167-H169 VanDerWaalsContact O-N 3.13Å; H169-Q171 PolarHBondContact O-N 3.27Å; H169-E172 PolarHBondContact O-N 3.38Å; H169-L173 VanDerWaalsContact O-CB 3.22Å; H169-L173 WeakPolarHBondContact O-CB 3.43Å; H169-L173 PolarHBondContact O-N 3.01Å
170Q95.9Very high97.3Very high81 Ų8144.7 Ų44.738%0.37922%0.218SC..Hα-helixtrans-51.7-53-173.3175.8175.9-11.400113.1M141 P167 E172 L173 E174M141-Q170 HydrophobicContact CE-CB 4.42Å; M141-Q170 HydrophobicContact CE-CG 3.83Å; M141-Q170 HydrophobicContact CG-CB 4.04Å; M141-Q170 HydrophobicContact CG-CG 4.43Å; M141-Q170 HydrophobicContact SD-CB 4.29Å; M141-Q170 HydrophobicContact SD-CG 4.05Å; P167-Q170 WeakPolarHBondContact O-CB 3.3Å; P167-Q170 PolarHBondContact O-N 3.38Å; Q170-E172 PolarHBondContact O-N 3.42Å; Q170-L173 PolarHBondContact O-N 3.35Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q170-E174 PolarHBondContact NE2-OE1 2.75Å; Q170-E174 WeakPolarHBondContact O-CG 3.17Å; Q170-E174 PolarHBondContact O-N 3.28Å
171Q95.8Very high97.2Very high164 Ų16443.8 Ų43.877%0.76621%0.213SC*.Hα-helixtrans-63.6-43.8-175.6-175.5179.56.400111.7H169 E174 E175H169-Q171 PolarHBondContact O-N 3.27Å; Q171-E174 PolarHBondContact O-N 3.15Å; Q171-E175 PolarHBondContact O-N 3.24Å; Q171-E175 VanDerWaalsContact O-N 3.09Å
172E96.7Very high96.7Very high42 Ų4250.2 Ų50.220%0.19625%0.247CC..Hα-helixtrans-67.9-36.9179.6-172.6168.2-147.700111.7R68 Y71 L73 H169 Q170 A176R68-E172 IonicContact CZ-OE1 2.76Å; R68-E172 IonicContact NH1-OE1 3.74Å; R68-E172 PolarHBondContact NH1-OE1 2.77Å; R68-E172 IonicContact NH2-OE1 3.14Å; R68-E172 PolarHBondContact NH2-OE1 3.32Å; Y71-E172 HydrophobicContact CD1-CG 3.95Å; L73-E172 HydrophobicContact CD1-CG 4.5Å; L73-E172 HydrophobicContact CD2-CB 4.36Å; L73-E172 HydrophobicContact CD2-CG 3.87Å; L73-E172 VanDerWaalsContact CD2-OE2 3.24Å; L73-E172 WeakPolarHBondContact CD2-OE2 3.31Å; H169-E172 PolarHBondContact O-N 3.38Å; Q170-E172 PolarHBondContact O-N 3.42Å; E172-A176 WeakPolarHBondContact O-CB 3.18Å; E172-A176 PolarHBondContact O-N 3.36Å
173L97.7Very high95.8Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-66.8-44176.1179.363.2000112.1L73 F100 L134 M141 L143 F165 H169 Q170 E175 A176 A177L73-L173 HydrophobicContact CD1-CB 3.97Å; L73-L173 HydrophobicContact CD1-CD1 3.93Å; F100-L173 HydrophobicContact CE1-CD1 4.04Å; F100-L173 HydrophobicContact CE2-CD1 4.16Å; F100-L173 HydrophobicContact CZ-CD1 3.44Å; F100-L173 VanDerWaalsContact CZ-CD1 3.44Å; L134-L173 HydrophobicContact CD2-CD2 3.55Å; L134-L173 HydrophobicContact CD2-CG 3.75Å; M141-L173 HydrophobicContact CB-CD2 4.29Å; L143-L173 HydrophobicContact CD2-CD1 4.19Å; F165-L173 HydrophobicContact CB-CD2 4.27Å; F165-L173 HydrophobicContact CD2-CD1 3.98Å; F165-L173 HydrophobicContact CD2-CD2 3.49Å; F165-L173 VanDerWaalsContact CD2-CD2 3.49Å; F165-L173 HydrophobicContact CD2-CG 4.39Å; F165-L173 HydrophobicContact CE2-CD1 3.69Å; F165-L173 HydrophobicContact CE2-CD2 4.01Å; F165-L173 HydrophobicContact CG-CD1 4.5Å; F165-L173 HydrophobicContact CG-CD2 4Å; F165-L173 HydrophobicContact CZ-CD1 3.99Å; H169-L173 VanDerWaalsContact O-CB 3.22Å; H169-L173 WeakPolarHBondContact O-CB 3.43Å; H169-L173 PolarHBondContact O-N 3.01Å; Q170-L173 PolarHBondContact O-N 3.35Å; L173-E175 VanDerWaalsContact C-N 3.35Å; L173-A176 PolarHBondContact O-N 3.26Å; L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 2.7Å
174E96.6Very high94.7Very high88 Ų8859.3 Ų59.341%0.41129%0.289SS..Hα-helixtrans-59.1-46.8175.1-78.1174-166.100111.1L134 Q170 Q171 G178L134-E174 HydrophobicContact CD1-CB 4.22Å; L134-E174 HydrophobicContact CD1-CG 3.57Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.48Å; Q170-E174 PolarHBondContact NE2-OE1 2.75Å; Q170-E174 WeakPolarHBondContact O-CG 3.17Å; Q170-E174 PolarHBondContact O-N 3.28Å; Q171-E174 PolarHBondContact O-N 3.15Å; E174-G178 PolarHBondContact O-N 3.16Å
175E96.4Very high93.8Very high55 Ų5560.9 Ų60.926%0.25730%0.303SS..Hα-helixtrans-63.1-50.8177.4-171.3-169171.900111.8Y71 Q171 L173 G178 R179Y71-E175 HydrophobicContact CE1-CB 4.47Å; Y71-E175 HydrophobicContact CE1-CG 4.15Å; Y71-E175 VanDerWaalsContact OH-CD 3.26Å; Y71-E175 PolarHBondContact OH-OE1 3.37Å; Q171-E175 PolarHBondContact O-N 3.24Å; Q171-E175 VanDerWaalsContact O-N 3.09Å; L173-E175 VanDerWaalsContact C-N 3.35Å; E175-G178 PolarHBondContact O-N 3.09Å; E175-R179 WeakPolarHBondContact O-CB 3.48Å; E175-R179 WeakPolarHBondContact O-CG 2.9Å; E175-R179 PolarHBondContact O-N 3.36Å; E175-R179 IonicContact OE1-CZ 3.14Å; E175-R179 IonicContact OE1-NE 3.12Å; E175-R179 PolarHBondContact OE1-NE 2.93Å; E175-R179 VanDerWaalsContact OE1-NE 3.12Å; E175-R179 IonicContact OE1-NH2 2.73Å; E175-R179 PolarHBondContact OE1-NH2 3.16Å
176A97.8Very high93Very high0 Ų062.9 Ų62.90%032%0.316CS..Hα-helixtrans-61.3-48.8-17700000111.9Y71 F100 E172 L173 G178 R179 V180Y71-A176 HydrophobicContact CD1-CB 3.68Å; Y71-A176 HydrophobicContact CD2-CB 4.17Å; Y71-A176 HydrophobicContact CE1-CB 4.34Å; Y71-A176 HydrophobicContact CG-CB 3.61Å; F100-A176 HydrophobicContact CB-CB 3.83Å; F100-A176 HydrophobicContact CD1-CB 3.83Å; F100-A176 HydrophobicContact CD2-CB 4.18Å; F100-A176 HydrophobicContact CE1-CB 4.46Å; F100-A176 HydrophobicContact CG-CB 3.69Å; E172-A176 WeakPolarHBondContact O-CB 3.18Å; E172-A176 PolarHBondContact O-N 3.36Å; L173-A176 PolarHBondContact O-N 3.26Å; A176-G178 PolarHBondContact O-N 3.12Å; A176-R179 PolarHBondContact O-N 3.06Å; A176-V180 WeakPolarHBondContact O-CG2 3.2Å; A176-V180 PolarHBondContact O-N 3.34Å
177A98Very high91.5Very high0 Ų065.7 Ų65.70%034%0.338CS..Hα-helixtrans-63.5-41.8178.300000111.7F100 Y132 L173 V180 F181F100-A177 HydrophobicContact CE1-CB 4.2Å; Y132-A177 HydrophobicContact CD2-CB 4.38Å; Y132-A177 HydrophobicContact CE2-CB 3.86Å; L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 2.7Å; A177-V180 PolarHBondContact O-N 2.86Å; A177-F181 HydrophobicContact CB-CD2 4.32Å; A177-F181 HydrophobicContact CB-CE2 4.45Å; A177-F181 WeakPolarHBondContact O-CD2 3.38Å; A177-F181 PolarHBondContact O-N 3.4Å
178G96.5Very high89.5Confident27 Ų2767.9 Ų67.928%0.27835%0.354SS..Hα-helixtrans-62.4-42.4176.600000112.9Y132 E174 E175 A176 N182Y132-G178 WeakPolarHBondContact OH-CA 3.46Å; E174-G178 PolarHBondContact O-N 3.16Å; E175-G178 PolarHBondContact O-N 3.09Å; A176-G178 PolarHBondContact O-N 3.12Å; G178-N182 WeakPolarHBondContact O-CA 3.4Å; G178-N182 PolarHBondContact O-N 2.93Å; G178-N182 VanDerWaalsContact O-N 3.14Å
179R96.4Very high87.1Confident103 Ų10364 Ų6439%0.38936%0.355SS..Hα-helixtrans-68.5-36.4177.4-73.7-171.5-176.8-153.28.5113.2D66 Y71 V102 E175 A176D66-R179 PolarHBondContact O-NH1 2.83Å; D66-R179 PolarHBondContact O-NH2 3.34Å; Y71-R179 WeakPolarHBondContact OH-CD 3.46Å; Y71-R179 PolarHBondContact OH-NE 3.41Å; Y71-R179 VanDerWaalsContact OH-NE 3.11Å; Y71-R179 PolarHBondContact OH-NH1 3.04Å; V102-R179 HydrophobicContact CG1-CB 4.25Å; V102-R179 HydrophobicContact CG2-CB 3.88Å; E175-R179 WeakPolarHBondContact O-CB 3.48Å; E175-R179 WeakPolarHBondContact O-CG 2.9Å; E175-R179 PolarHBondContact O-N 3.36Å; E175-R179 IonicContact OE1-CZ 3.14Å; E175-R179 IonicContact OE1-NE 3.12Å; E175-R179 PolarHBondContact OE1-NE 2.93Å; E175-R179 VanDerWaalsContact OE1-NE 3.12Å; E175-R179 IonicContact OE1-NH2 2.73Å; E175-R179 PolarHBondContact OE1-NH2 3.16Å; A176-R179 PolarHBondContact O-N 3.06Å
180V97.9Very high84.2Confident1 Ų167.3 Ų67.31%0.00639%0.386CS..Hα-helixtrans-78.3-50.5-178.5172.30000112.1F100 V102 V107 A176 A177F100-V180 HydrophobicContact CB-CG2 3.79Å; V102-V180 HydrophobicContact CG2-CG2 4.13Å; V107-V180 HydrophobicContact CG2-CB 4.43Å; V107-V180 HydrophobicContact CG2-CG1 3.88Å; A176-V180 WeakPolarHBondContact O-CG2 3.2Å; A176-V180 PolarHBondContact O-N 3.34Å; A177-V180 PolarHBondContact O-N 2.86Å
181F95.8Very high81.4Confident0 Ų067.1 Ų67.10%041%0.406CS..Hα-helixtrans-83.7-13.5-173.5-61.5-43.9000113.6V107 M126 V129 Y132 V145 A177 K183V107-F181 HydrophobicContact CB-CE1 4.45Å; V107-F181 HydrophobicContact CB-CZ 4.11Å; V107-F181 HydrophobicContact CG2-CE1 3.76Å; V107-F181 HydrophobicContact CG2-CE2 4.09Å; V107-F181 HydrophobicContact CG2-CZ 3.37Å; M126-F181 WeakPolarHBondContact CG-O 3.48Å; V129-F181 HydrophobicContact CB-CD1 4.42Å; V129-F181 HydrophobicContact CG2-CD1 3.83Å; V129-F181 HydrophobicContact CG2-CE1 3.64Å; V129-F181 HydrophobicContact CG2-CZ 4.31Å; Y132-F181 HydrophobicContact CD1-CB 3.94Å; Y132-F181 AromaticContact CD1-CD2 3.54Å; Y132-F181 HydrophobicContact CD1-CD2 3.54Å; Y132-F181 HydrophobicContact CD1-CE2 4.42Å; Y132-F181 HydrophobicContact CD1-CG 4.09Å; Y132-F181 HydrophobicContact CD2-CD2 4.25Å; Y132-F181 HydrophobicContact CE1-CB 3.85Å; Y132-F181 AromaticContact CE1-CD2 3.91Å; Y132-F181 HydrophobicContact CE1-CD2 3.91Å; Y132-F181 HydrophobicContact CE1-CG 4.36Å; Y132-F181 AromaticContact CG-CD2 3.74Å; Y132-F181 HydrophobicContact CG-CD2 3.74Å; Y132-F181 HydrophobicContact CG-CE2 4.21Å; V145-F181 HydrophobicContact CG1-CZ 4.17Å; V145-F181 HydrophobicContact CG2-CE2 3.97Å; V145-F181 HydrophobicContact CG2-CZ 3.98Å; A177-F181 HydrophobicContact CB-CD2 4.32Å; A177-F181 HydrophobicContact CB-CE2 4.45Å; A177-F181 WeakPolarHBondContact O-CD2 3.38Å; A177-F181 PolarHBondContact O-N 3.4Å; F181-K183 WeakPolarHBondContact O-CG 3.22Å; F181-K183 PolarHBondContact O-N 3.1Å
182N86.4Confident78.3Confident135 Ų13563 Ų6372%0.72241%0.407SS*.  trans47.435.9179.3-16525.5000113.1M126 G178M126-N182 HydrophobicContact SD-CB 3.74Å; G178-N182 WeakPolarHBondContact O-CA 3.4Å; G178-N182 PolarHBondContact O-N 2.93Å; G178-N182 VanDerWaalsContact O-N 3.14Å
183K79.2Confident75.1Confident84 Ų8465.1 Ų65.137%0.36543%0.432SS..SBendtrans-131.3147.1-179.1-77.1176.2178.4-168.20107.6V129 D130 Y132 F181V129-K183 PolarHBondContact O-NZ 3.39Å; D130-K183 PolarHBondContact O-NZ 2.76Å; Y132-K183 HydrophobicContact CE1-CB 4.09Å; Y132-K183 WeakPolarHBondContact CE1-O 3.47Å; Y132-K183 PolarHBondContact OH-O 3.14Å; Y132-K183 VanDerWaalsContact OH-O 3.06Å; F181-K183 WeakPolarHBondContact O-CG 3.22Å; F181-K183 PolarHBondContact O-N 3.1Å
184Q75.8Confident72.2Confident187 Ų18771 Ų7187%0.87447%0.467SS*.PPolyproline II helixtrans-70137.8167.3-68.8-166.1-4.300109S186Q184-S186 PolarHBondContact O-N 2.81Å
185A79.3Confident69.1Low43 Ų4378.1 Ų78.136%0.35549%0.491SS..PPolyproline II helixtrans-58.2133.1172.500000109.5Y132Y132-A185 HydrophobicContact CD2-CB 4.28Å; Y132-A185 HydrophobicContact CE2-CB 3.64Å
186S81.8Confident66Low41 Ų4181.4 Ų81.429%0.28752%0.515SS..PPolyproline II helixtrans-63.2136.4174.8-67.80000109.6Y132 Q184 S188Y132-S186 PolarHBondContact O-N 3.02Å; Q184-S186 PolarHBondContact O-N 2.81Å; S186-S188 PolarHBondContact O-N 3.4Å
187P66Low62.9Low121 Ų12186.5 Ų86.579%0.78655%0.551SS**PPolyproline II helixtrans-52.7132.6173.9-21.729.8000109.6G189P187-G189 PolarHBondContact O-N 2.85Å
188S56Low59.8Low78 Ų7892.7 Ų92.755%0.54559%0.591SS.*  trans-56.6105.1171.834.10000108.2S186 A190S186-S188 PolarHBondContact O-N 3.4Å; S188-A190 PolarHBondContact O-N 3.15Å
189G46.2Very low56.7Low70 Ų7096.8 Ų96.872%0.72262%0.615SS**  trans-54.5108.5-17700000110.8P187 G191P187-G189 PolarHBondContact O-N 2.85Å; G189-G191 PolarHBondContact O-N 2.98Å
190A37.1Very low53.9Low94 Ų9496.8 Ų96.878%0.77763%0.631SS**  trans-53.5130.315500000106.9S188 G192S188-A190 PolarHBondContact O-N 3.15Å; A190-G192 PolarHBondContact O-N 3Å
191G36.8Very low50.7Low76 Ų76104.4 Ų104.478%0.78467%0.671SS**  trans-44127.3-174.200000111.8G189 A193G189-G191 PolarHBondContact O-N 2.98Å; G191-A193 PolarHBondContact O-N 3.33Å
192G29.8Very low47.7Very low77 Ų77112.5 Ų112.579%0.79471%0.711SS**  trans-58.6100.7175.700000109.6A190 V194A190-G192 PolarHBondContact O-N 3Å; G192-V194 PolarHBondContact O-N 3.24Å; G192-V194 VanDerWaalsContact O-N 3.12Å
193A30.3Very low45Very low87 Ų87110.6 Ų110.672%0.71971%0.714SS**  trans-60.5112.9158.800000106.6G191 R195G191-A193 PolarHBondContact O-N 3.33Å; A193-R195 PolarHBondContact O-N 3.26Å
194V35.8Very low42.6Very low123 Ų123116.7 Ų116.775%0.74574%0.735SS**  trans-51105167.5171.40000107.4G192 T196G192-V194 PolarHBondContact O-N 3.24Å; G192-V194 VanDerWaalsContact O-N 3.12Å; V194-T196 VanDerWaalsContact C-N 3.31Å; V194-T196 HydrophobicContact CG1-CG2 3.8Å; V194-T196 PolarHBondContact O-N 2.84Å
195R32.1Very low40.4Very low238 Ų238112.6 Ų112.690%0.89873%0.727SS**  trans-82.686.2163.2-78.4-173.8168.6-166.7-2.4107.1A193 S197A193-R195 PolarHBondContact O-N 3.26Å; R195-S197 PolarHBondContact O-N 2.65Å
196T30.7Very low38Very low125 Ų125120.6 Ų120.677%0.76775%0.75SS**  trans-69.7111.9158.830.30000107.8V194V194-T196 VanDerWaalsContact C-N 3.31Å; V194-T196 HydrophobicContact CG1-CG2 3.8Å; V194-T196 PolarHBondContact O-N 2.84Å
197S32.4Very low35.5Very low107 Ų107125 Ų12575%0.74878%0.775SS**  trans-97.7134.1160.5-61.70000108.4R195R195-S197 PolarHBondContact O-N 2.65Å
198P32.5Very low33.7Very low130 Ų130129.1 Ų129.184%0.84478%0.775SS**  trans-80.8128.7-17331.8-30.9000109.9
199S32.8Very low32.5Very low112 Ų112133.5 Ų133.578%0.78378%0.784SS**  trans-113.697.7162-163.20000107.9
200S37Very low31.9Very low104 Ų104139.7 Ų139.773%0.72779%0.791SS**  trans-64.1124.215450.20000107.7
201D31.3Very low31.8Very low160 Ų160141 Ų14186%0.85679%0.791SS**  trans-153119.9144.5-97.9-30.3000112
202M32.1Very low32.2Very low170 Ų170143.2 Ų143.284%0.83779%0.792SS**  trans-82.8129.9-178.3-173.3-177.8-178.700108.4R204M202-R204 PolarHBondContact O-N 2.79Å
203A29.3Very low32.3Very low95 Ų95145.4 Ų145.479%0.78580%0.795SS**  trans-54.5129175.200000112.3
204R29.8Very low32.4Very low212 Ų212150.7 Ų150.780%0.880%0.802SS**  trans-142.5115.9155-99179.9177.9171.3-0.7111.7M202M202-R204 PolarHBondContact O-N 2.79Å
205S28.6Very low32.3Very low101 Ų101150.8 Ų150.871%0.70681%0.808SS**  trans-64.8137.4171.3170.60000112.1
206Y29.1Very low32.2Very low212 Ų212148.1 Ų148.183%0.83181%0.806SS**  trans-143.3123.3150.5-77.3-76000111
207T30.1Very low32.2Very low133 Ų133150.6 Ų150.682%0.81681%0.813SS**  trans-78.1149.7164.915.80000109.8
208R28.9Very low32.1Very low207 Ų207154.6 Ų154.678%0.78182%0.817SS**  164.9120.8120.2-162.3171-148.4-154.33.7115
209K29.9Very low31.9Very low171 Ų171152.6 Ų152.674%0.74381%0.807SS**  trans65.3125.4141.2-66.6177.1-179.7-171.20124.2
210K32.6Very low31.6Very low200 Ų200155.8 Ų155.887%0.8781%0.809SS**  trans-74.3163.4154.5-92.8-178.5177.6178.60111.9
211P36.8Very low31.2Very low121 Ų121155.6 Ų155.679%0.78681%0.807SS**  -155-16082.344.3-20.8000114.5
212P45.3Very low31Very low122 Ų122153.3 Ų153.379%0.79280%0.804SS**  -129.4173.5-91.439.3-20.7000115
213S31.7Very low30.8Very low123 Ų123150.9 Ų150.986%0.8680%0.804SS**  trans-156143.4145.5-170.90000112.2
214K32.7Very low30.8Very low199 Ų199150.8 Ų150.887%0.86580%0.803SS**  trans-92.4150.1-174.7-67.4172.6172.4177.70110.6
215S31.8Very low30.8Very low124 Ų124149.9 Ų149.987%0.86781%0.808SS**  -168.6136.711842.60000110.4
216Q31.7Very low30.9Very low182 Ų182152.8 Ų152.885%0.8582%0.816SS**  trans-87.3155.7174.7-65.2174.2-55.100109.2
217L30.7Very low30.8Very low177 Ų177151.3 Ų151.393%0.92782%0.821SS**  -157.5126.2127.4-101.1144.1000110.6
218K29.9Very low30.7Very low191 Ų191153.4 Ų153.483%0.8382%0.821SS**  trans-56.2164.7161.4-88.4172.6166.7-1770110.3
219S29.1Very low31.4Very low89 Ų89147.8 Ų147.862%0.62281%0.812SS**  cis-172.8159.83212.80000110.2
220E25.2Very low31.3Very low178 Ų178146.8 Ų146.883%0.83282%0.815SS**  trans65.1145.4139.9-70.2165.7-166.200119.5
221S28.4Very low31.1Very low100 Ų100144.2 Ų144.270%0.69981%0.81SS**  cis154.5126.9-19.852.60000105.3
222S27Very low30.7Very low112 Ų112150 Ų15078%0.78382%0.817SS**  trans-178.1106.2144.252.90000111.7
223S28.9Very low30Very low119 Ų119151.7 Ų151.783%0.83282%0.818SS**  49108.8127-41.60000121.8
224A29.2Very low29.9Very low93 Ų93151.4 Ų151.477%0.76981%0.811SS**  52.6124.6125.100000121.2
225Q29.8Very low29.7Very low194 Ų194147.9 Ų147.991%0.90781%0.806SS**  -168.1135.2104.5-97.5168.213.700111.7
226N29.6Very low29.6Very low162 Ų162152.8 Ų152.887%0.86681%0.806SS**  trans-69.7142.2173.1-76.4-44.1000111.2
227L27.7Very low29.5Very low180 Ų180152.5 Ų152.594%0.94280%0.804SS**  trans-166.7131.2147.7-94.3145.7000109
228H29Very low29.3Very low177 Ų177148.6 Ų148.682%0.81979%0.789SS**  trans-152.3161.6169.4-156.2-77.1000105.8
229P42.5Very low29.4Very low90 Ų90146 Ų14658%0.58478%0.78SS**  cis-104.8177.4-16.22.623.7000110.8
230D27.9Very low29.5Very low150 Ų150149.3 Ų149.380%0.80279%0.785SS**  -175.9177.861.1-115.1-31.8000109.9
231D28Very low29.9Very low146 Ų146148.1 Ų148.178%0.78178%0.78SS**  trans84.774.3173.6-71.7-18.9000117.9
232R29.4Very low30.4Very low243 Ų243149.5 Ų149.592%0.91778%0.775SS**  trans-87.399.6148.3-79.5-171.4177.9-161.1-0.2109.9T234R232-T234 PolarHBondContact O-N 3.47Å
233L29.3Very low30.8Very low157 Ų157149.8 Ų149.882%0.82277%0.772SS**  trans-45.6110155.8-11678.8000109T235L233-T235 PolarHBondContact O-N 2.71Å
234T30.3Very low31.5Very low116 Ų116146.2 Ų146.271%0.71274%0.74SS**  trans-82.3109.2159.735.40000106.8R232 R236R232-T234 PolarHBondContact O-N 3.47Å; T234-R236 VanDerWaalsContact C-N 3.31Å; T234-R236 PolarHBondContact O-N 2.91Å
235T29Very low31.9Very low125 Ų125144.7 Ų144.777%0.76772%0.723SS**  trans-59.394.8165.135.20000108.6L233 H237L233-T235 PolarHBondContact O-N 2.71Å; T235-H237 PolarHBondContact O-N 3.31Å
236R30Very low32.5Very low228 Ų228144.1 Ų144.186%0.8671%0.713SS**  trans-70114.6162-72-174.6-178.4-166.10.6107T234T234-R236 VanDerWaalsContact C-N 3.31Å; T234-R236 PolarHBondContact O-N 2.91Å
237H29.3Very low33Very low175 Ų175139 Ų13981%0.8169%0.69SS**  trans-61.6129.3158.8-84-72000107.8T235 Q239T235-H237 PolarHBondContact O-N 3.31Å; H237-Q239 PolarHBondContact O-N 3.38Å
238P25.5Very low33.6Very low95 Ų95134.2 Ų134.262%0.61766%0.659SS**  trans-69.1117.3177.526.3-29.1000108.3H240P238-H240 PolarHBondContact O-N 3.08Å
239Q31.8Very low34.1Very low138 Ų138135.7 Ų135.765%0.64568%0.681SS**  trans-64.9114.7156-73-179.1-26.800105.9H237 H241H237-Q239 PolarHBondContact O-N 3.38Å; Q239-H241 VanDerWaalsContact C-N 3.27Å; Q239-H241 PolarHBondContact O-CD2 3.02Å; Q239-H241 PolarHBondContact O-N 3.17Å
240H31.2Very low33.6Very low157 Ų157138 Ų13873%0.72769%0.686SS**  trans-66.192.4172.9-81.6-91.5000107.9P238 H242P238-H240 PolarHBondContact O-N 3.08Å; H240-H242 PolarHBondContact O-N 2.82Å; H240-H242 VanDerWaalsContact O-N 3.12Å
241H33.9Very low33.9Very low153 Ų153137.4 Ų137.471%0.70868%0.68SS**  trans-69.8103.3165.9-68.8-73.3000107.4Q239 V243Q239-H241 VanDerWaalsContact C-N 3.27Å; Q239-H241 PolarHBondContact O-CD2 3.02Å; Q239-H241 PolarHBondContact O-N 3.17Å; H241-V243 PolarHBondContact O-N 3.06Å
242H38.6Very low34.3Very low130 Ų130136.9 Ų136.960%0.60267%0.674SS**  trans-65.7114.7164.8-83.5-81.9000108.1H240 Y244H240-H242 PolarHBondContact O-N 2.82Å; H240-H242 VanDerWaalsContact O-N 3.12Å; H242-Y244 PolarHBondContact O-N 2.92Å; H242-Y244 VanDerWaalsContact O-N 3.09Å
243V35.8Very low34.6Very low118 Ų118130.6 Ų130.672%0.71566%0.66SS**  trans-68.6102176.71780000107.6H241 C245H241-V243 PolarHBondContact O-N 3.06Å; V243-C245 PolarHBondContact O-N 3.21Å
244Y43.5Very low34.9Very low43 Ų43129 Ų12917%0.16965%0.65CS.*  trans-76108.3162.2-85.2-85.1000108.1E6 V9 F110 L118 H242 R246E6-Y244 WeakPolarHBondContact CB-OH 3.4Å; E6-Y244 VanDerWaalsContact CG-OH 3.3Å; E6-Y244 WeakPolarHBondContact CG-OH 3.43Å; V9-Y244 HydrophobicContact CG1-CE1 4.04Å; F110-Y244 AromaticContact CE1-CD2 3.84Å; F110-Y244 HydrophobicContact CE1-CD2 3.84Å; F110-Y244 AromaticContact CE1-CE2 3.45Å; F110-Y244 HydrophobicContact CE1-CE2 3.45Å; F110-Y244 VanDerWaalsContact CE1-CE2 3.45Å; F110-Y244 AromaticContact CE1-CZ 3.96Å; F110-Y244 HydrophobicContact CZ-CD2 4.28Å; F110-Y244 HydrophobicContact CZ-CE1 4.29Å; F110-Y244 AromaticContact CZ-CE2 3.52Å; F110-Y244 HydrophobicContact CZ-CE2 3.52Å; F110-Y244 AromaticContact CZ-CZ 3.53Å; L118-Y244 VanDerWaalsContact CD2-O 3.27Å; L118-Y244 WeakPolarHBondContact CD2-O 3.43Å; H242-Y244 PolarHBondContact O-N 2.92Å; H242-Y244 VanDerWaalsContact O-N 3.09Å; Y244-R246 PolarHBondContact O-N 2.83Å
245C37.8Very low35.2Very low61 Ų61129.9 Ų129.941%0.41265%0.646SS.*  trans-78.2103.6-172.9-143.60000109.6V243 S247V243-C245 PolarHBondContact O-N 3.21Å; C245-S247 VanDerWaalsContact C-N 3.25Å; C245-S247 PolarHBondContact O-N 2.56Å
246R42.3Very low35.6Very low182 Ų182130.2 Ų130.269%0.68764%0.637SS**  trans-69.788.4156.6-78.6-170.1175.6-170.71.2108.7L118 Y244L118-R246 HydrophobicContact CD2-CB 4.44Å; L118-R246 HydrophobicContact CD2-CG 4.07Å; Y244-R246 PolarHBondContact O-N 2.83Å
247S40.7Very low36.1Very low55 Ų55122.7 Ų122.739%0.38562%0.62SS.*  trans-156.773.9159.760.50000110.6C245C245-S247 VanDerWaalsContact C-N 3.25Å; C245-S247 PolarHBondContact O-N 2.56Å
248W39.8Very low36.6Very low80 Ų80118.3 Ų118.330%0.30360%0.604SS.*  trans-112.283.8150.7-65.597.5000106.2E13 R17 D46 F49E13-W248 HydrophobicContact CG-CZ2 4.38Å; R17-W248 HydrophobicContact CG-CH2 3.83Å; R17-W248 HydrophobicContact CG-CZ2 4.1Å; D46-W248 HydrophobicContact CB-CE3 3.71Å; D46-W248 HydrophobicContact CB-CH2 4.32Å; D46-W248 HydrophobicContact CB-CZ3 3.57Å; F49-W248 HydrophobicContact CB-CZ2 4.37Å; F49-W248 HydrophobicContact CD2-CZ2 4.38Å; F49-W248 HydrophobicContact CG-CZ2 4.2Å
249T38.7Very low37.6Very low208 Ų208120.5 Ų120.5100%1.27660%0.603SS**  trans-131.80163.849.70000107.5

Retrieved 249 of 249 residues in 299.1 ms (Link to these results)

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