A0A087YIT7_POEFO Loading...

C-type lectin domain family 18 member A

AlphaFold DB , UniProt , Accession A0A087YIT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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
1L60.6Low80.1Confident63 Ų6368.1 Ų68.133%0.3339%0.388SS..  0138.40-72.9174.8000108.3E5 F6 W32 C112 I114 F120L1-E5 VanDerWaalsContact C-OE2 3.31Å; L1-E5 WeakPolarHBondContact CA-OE2 3.32Å; L1-E5 HydrophobicContact CB-CB 4.38Å; L1-E5 HydrophobicContact CD2-CB 4Å; L1-E5 HydrophobicContact CD2-CG 4.45Å; L1-E5 WeakPolarHBondContact CD2-OE2 3.23Å; L1-F6 HydrophobicContact CB-CD1 3.81Å; L1-F6 HydrophobicContact CB-CE1 3.32Å; L1-F6 HydrophobicContact CB-CZ 4.25Å; L1-F6 HydrophobicContact CD1-CD1 4.47Å; L1-F6 HydrophobicContact CD1-CE1 4.46Å; L1-F6 WeakPolarHBondContact O-CE1 3.36Å; L1-F6 WeakPolarHBondContact O-CZ 3.17Å; L1-W32 HydrophobicContact CD1-CH2 4.42Å; L1-C112 HydrophobicContact CD1-CB 4.3Å; L1-I114 HydrophobicContact CD2-CD1 3.62Å; L1-I114 HydrophobicContact CD2-CG1 4.15Å; L1-I114 HydrophobicContact CG-CD1 4.33Å; L1-I114 HydrophobicContact CG-CG1 4.32Å; L1-F120 HydrophobicContact CD1-CE2 4.45Å
2G65.6Low81.3Confident37 Ų3763.7 Ų63.738%0.38136%0.362SS..  trans-91168.1175.700000113K4 E5 F6G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.36Å; G2-K4 VanDerWaalsContact O-N 3.14Å; G2-E5 PolarHBondContact N-OE2 3.15Å; G2-E5 WeakPolarHBondContact O-CB 3.45Å; G2-E5 PolarHBondContact O-N 3.38Å; G2-F6 PolarHBondContact O-N 3.45Å
3V65.1Low82.4Confident118 Ų11858.8 Ų58.872%0.71533%0.334SS*.Hα-helixtrans-52.7-39.6-174.9179.30000113.6E5 F6V3-E5 VanDerWaalsContact C-N 3.31Å; V3-E5 PolarHBondContact O-N 3.12Å; V3-F6 PolarHBondContact O-N 3.42Å
4K71.8Confident83.2Confident166 Ų16655.7 Ų55.772%0.72232%0.316SS*.Hα-helixtrans-66.7-32178.7-171.7177.5178.2-177.20112.7G2 Q8G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.36Å; G2-K4 VanDerWaalsContact O-N 3.14Å; K4-Q8 WeakPolarHBondContact O-CG 2.95Å
5E78.8Confident83.8Confident78 Ų7859.1 Ų59.136%0.36432%0.322SS..Hα-helixtrans-75.8-36.4-178.2-61.9171.8149.100110.8L1 G2 V3 S7 Q8 V9L1-E5 VanDerWaalsContact C-OE2 3.31Å; L1-E5 WeakPolarHBondContact CA-OE2 3.32Å; L1-E5 HydrophobicContact CB-CB 4.38Å; L1-E5 HydrophobicContact CD2-CB 4Å; L1-E5 HydrophobicContact CD2-CG 4.45Å; L1-E5 WeakPolarHBondContact CD2-OE2 3.23Å; G2-E5 PolarHBondContact N-OE2 3.15Å; G2-E5 WeakPolarHBondContact O-CB 3.45Å; G2-E5 PolarHBondContact O-N 3.38Å; V3-E5 VanDerWaalsContact C-N 3.31Å; V3-E5 PolarHBondContact O-N 3.12Å; E5-S7 PolarHBondContact O-N 3.39Å; E5-Q8 PolarHBondContact O-N 3.43Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; E5-V9 WeakPolarHBondContact O-CG2 3.42Å; E5-V9 PolarHBondContact O-N 3.36Å
6F86.4Confident84.5Confident40 Ų4056.3 Ų56.318%0.17531%0.306CS..Hα-helixtrans-57.6-49.1176.4-53.9-32.7000112.4L1 G2 V3 Q8 V9 V10 W32L1-F6 HydrophobicContact CB-CD1 3.81Å; L1-F6 HydrophobicContact CB-CE1 3.32Å; L1-F6 HydrophobicContact CB-CZ 4.25Å; L1-F6 HydrophobicContact CD1-CD1 4.47Å; L1-F6 HydrophobicContact CD1-CE1 4.46Å; L1-F6 WeakPolarHBondContact O-CE1 3.36Å; L1-F6 WeakPolarHBondContact O-CZ 3.17Å; G2-F6 PolarHBondContact O-N 3.45Å; V3-F6 PolarHBondContact O-N 3.42Å; F6-Q8 PolarHBondContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 3.4Å; F6-V10 PolarHBondContact O-N 3.42Å; F6-V10 VanDerWaalsContact O-N 3.08Å; F6-W32 HydrophobicContact CB-CD2 3.73Å; F6-W32 HydrophobicContact CB-CE3 4.08Å; F6-W32 HydrophobicContact CB-CG 4.05Å; F6-W32 HydrophobicContact CB-CH2 4.44Å; F6-W32 HydrophobicContact CB-CZ2 4.18Å; F6-W32 HydrophobicContact CB-CZ3 4.41Å; F6-W32 HydrophobicContact CD1-CD2 4.27Å; F6-W32 AromaticContact CD1-CE2 3.55Å; F6-W32 AromaticContact CD1-CH2 3.44Å; F6-W32 HydrophobicContact CD1-CH2 3.44Å; F6-W32 VanDerWaalsContact CD1-CH2 3.44Å; F6-W32 AromaticContact CD1-CZ2 3.1Å; F6-W32 HydrophobicContact CD1-CZ2 3.1Å; F6-W32 HydrophobicContact CD1-CZ3 4.19Å; F6-W32 HydrophobicContact CD2-CZ2 4.36Å; F6-W32 AromaticContact CD2-NE1 3.82Å; F6-W32 AromaticContact CE1-CH2 3.93Å; F6-W32 HydrophobicContact CE1-CH2 3.93Å; F6-W32 AromaticContact CE1-CZ2 3.35Å; F6-W32 HydrophobicContact CE1-CZ2 3.35Å; F6-W32 HydrophobicContact CG-CD2 4.06Å; F6-W32 AromaticContact CG-CE2 3.56Å; F6-W32 HydrophobicContact CG-CH2 4.2Å; F6-W32 AromaticContact CG-CZ2 3.67Å; F6-W32 HydrophobicContact CG-CZ2 3.67Å; F6-W32 AromaticContact CG-NE1 3.79Å; F6-W32 HydrophobicContact CZ-CZ2 4.16Å
7S85.6Confident84.9Confident81 Ų8153 Ų5357%0.56629%0.288SS*.Hα-helixtrans-63.1-32.9178.7-54.90000112.2E5 A11E5-S7 PolarHBondContact O-N 3.39Å; S7-A11 WeakPolarHBondContact O-CB 3.45Å; S7-A11 PolarHBondContact O-N 2.82Å
8Q90.1Very high85.2Confident88 Ų8852.1 Ų52.141%0.41129%0.287SS..Hα-helixtrans-73.6-38.6177.4-67.2175.7-24.200112.3K4 E5 F6 A11 Q12 F73K4-Q8 WeakPolarHBondContact O-CG 2.95Å; E5-Q8 PolarHBondContact O-N 3.43Å; E5-Q8 VanDerWaalsContact O-N 3.16Å; F6-Q8 PolarHBondContact O-N 3.16Å; Q8-A11 PolarHBondContact O-N 2.86Å; Q8-Q12 WeakPolarHBondContact O-CB 3.26Å; Q8-Q12 PolarHBondContact O-N 2.79Å; Q8-F73 HydrophobicContact CB-CE1 4.43Å; Q8-F73 HydrophobicContact CB-CE2 4.26Å; Q8-F73 HydrophobicContact CB-CZ 3.57Å
9V92.3Very high85.3Confident0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-57.8-52.2172.8171.30000110.1E5 F6 A11 Q12 H13 W32 F73E5-V9 WeakPolarHBondContact O-CG2 3.42Å; E5-V9 PolarHBondContact O-N 3.36Å; F6-V9 PolarHBondContact O-N 3.4Å; V9-A11 PolarHBondContact O-N 2.03Å; V9-Q12 PolarHBondContact O-N 3.04Å; V9-H13 PolarHBondContact O-N 2.81Å; V9-H13 PolarHBondContact O-ND1 2.88Å; V9-W32 HydrophobicContact CB-CZ3 4.32Å; V9-W32 HydrophobicContact CG1-CZ3 4.11Å; V9-F73 HydrophobicContact CB-CD2 4.47Å; V9-F73 HydrophobicContact CB-CE2 4.45Å; V9-F73 HydrophobicContact CG2-CD1 4.45Å; V9-F73 HydrophobicContact CG2-CD2 3.56Å; V9-F73 HydrophobicContact CG2-CE2 3.8Å; V9-F73 HydrophobicContact CG2-CG 3.95Å; V9-F73 HydrophobicContact CG2-CZ 4.36Å
10V93Very high85.3Confident19 Ų1955.4 Ų55.412%0.11529%0.29CS..Hα-helixtrans-61.8-44.7179173.50000111.6F6 Q12 H13 N14 M30 W32 V110F6-V10 PolarHBondContact O-N 3.42Å; F6-V10 VanDerWaalsContact O-N 3.08Å; V10-Q12 VanDerWaalsContact C-N 3.27Å; V10-Q12 PolarHBondContact O-N 3.48Å; V10-H13 PolarHBondContact O-N 2.04Å; V10-N14 WeakPolarHBondContact CG1-ND2 3.01Å; V10-N14 WeakPolarHBondContact O-CB 3.01Å; V10-N14 PolarHBondContact O-N 2.87Å; V10-N14 PolarHBondContact O-ND2 1.99Å; V10-M30 WeakPolarHBondContact CG1-O 2.96Å; V10-W32 HydrophobicContact CG2-CB 3.79Å; V10-W32 HydrophobicContact CG2-CE3 4.01Å; V10-V110 HydrophobicContact CG2-CG1 3.91Å
11A91.8Very high85.1Confident59 Ų5960 Ų6049%0.48831%0.312SS..Hα-helixtrans-59.9-39.4178.300000111.9S7 Q8 V9 R15S7-A11 WeakPolarHBondContact O-CB 3.45Å; S7-A11 PolarHBondContact O-N 2.82Å; Q8-A11 PolarHBondContact O-N 2.86Å; V9-A11 PolarHBondContact O-N 2.03Å; A11-R15 WeakPolarHBondContact O-CB 3.23Å; A11-R15 PolarHBondContact O-N 2.89Å
12Q94.9Very high86.1Confident15 Ų1559.7 Ų59.77%0.0731%0.314CS..Hα-helixtrans-68.8-45177.3-174.1171.8-1.100112.4Q8 V9 V10 N14 R15 L16 F73 S74 V77 D78Q8-Q12 WeakPolarHBondContact O-CB 3.26Å; Q8-Q12 PolarHBondContact O-N 2.79Å; V9-Q12 PolarHBondContact O-N 3.04Å; V10-Q12 VanDerWaalsContact C-N 3.27Å; V10-Q12 PolarHBondContact O-N 3.48Å; Q12-N14 VanDerWaalsContact C-N 3.34Å; Q12-N14 PolarHBondContact O-N 3.02Å; Q12-R15 WeakPolarHBondContact O-CB 3.34Å; Q12-R15 PolarHBondContact O-N 3.46Å; Q12-L16 HydrophobicContact CG-CD1 4.12Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 2.01Å; Q12-F73 VanDerWaalsContact OE1-CE2 3.29Å; Q12-S74 PolarHBondContact NE2-O 2.93Å; Q12-S74 VanDerWaalsContact OE1-CB 3.24Å; Q12-V77 HydrophobicContact CG-CG1 4.08Å; Q12-D78 PolarHBondContact NE2-OD1 3.39Å; Q12-D78 PolarHBondContact NE2-OD2 3.15Å
13H95.8Very high86.8Confident0 Ų059.6 Ų59.60%031%0.308CS..Hα-helixtrans-56.3-49.6174.9-76.874.8000110.9V9 V10 R15 L16 R17 M30 Y124V9-H13 PolarHBondContact O-N 2.81Å; V9-H13 PolarHBondContact O-ND1 2.88Å; V10-H13 PolarHBondContact O-N 2.04Å; H13-R15 PolarHBondContact O-N 3.11Å; H13-L16 PolarHBondContact O-N 2.89Å; H13-R17 WeakPolarHBondContact O-CB 3.08Å; H13-R17 WeakPolarHBondContact O-CG 3.15Å; H13-R17 PolarHBondContact O-N 3.49Å; H13-M30 HydrophobicContact CB-SD 3.81Å; H13-Y124 AromaticContact CD2-CE1 3.91Å; H13-Y124 AromaticContact NE2-CE1 3.82Å; H13-Y124 AromaticContact NE2-CZ 3.99Å; H13-Y124 PolarHBondContact NE2-OH 3.37Å
14N93.1Very high87.5Confident16 Ų1654.2 Ų54.29%0.08628%0.276CS..Hα-helixtrans-63.7-37.3178.7-75.6-34.1000113.1V10 Q12 L16 S18 M30 L158V10-N14 WeakPolarHBondContact CG1-ND2 3.01Å; V10-N14 WeakPolarHBondContact O-CB 3.01Å; V10-N14 PolarHBondContact O-N 2.87Å; V10-N14 PolarHBondContact O-ND2 1.99Å; Q12-N14 VanDerWaalsContact C-N 3.34Å; Q12-N14 PolarHBondContact O-N 3.02Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 3.09Å; N14-S18 WeakPolarHBondContact O-CB 3.06Å; N14-S18 PolarHBondContact O-N 2.81Å; N14-S18 VanDerWaalsContact O-N 3.08Å; N14-S18 PolarHBondContact O-OG 3.39Å; N14-M30 PolarHBondContact ND2-O 2.64Å; N14-M30 PolarHBondContact OD1-N 2.71Å; N14-L158 HydrophobicContact CB-CD1 3.61Å; N14-L158 WeakPolarHBondContact OD1-CD1 3.41Å
15R92.8Very high87.6Confident107 Ų10746.5 Ų46.540%0.40424%0.242SC..Hα-helixtrans-60.6-40.2173.5-177-168.674.71721.2112A11 Q12 H13 S18 R19 D78A11-R15 WeakPolarHBondContact O-CB 3.23Å; A11-R15 PolarHBondContact O-N 2.89Å; Q12-R15 WeakPolarHBondContact O-CB 3.34Å; Q12-R15 PolarHBondContact O-N 3.46Å; H13-R15 PolarHBondContact O-N 3.11Å; R15-S18 PolarHBondContact O-OG 2.83Å; R15-R19 WeakPolarHBondContact O-CD 3.14Å; R15-R19 WeakPolarHBondContact O-CG 2.98Å; R15-D78 IonicContact NH2-OD1 2.69Å; R15-D78 PolarHBondContact NH2-OD1 3.44Å; R15-D78 IonicContact NH2-OD2 2.74Å; R15-D78 PolarHBondContact NH2-OD2 3.31Å
16L94.1Very high87.4Confident13 Ų1343.8 Ų43.87%0.06823%0.231CC..Hα-helixtrans-76.6-44.3-179.2-66170.6000111.2Q12 H13 N14 S18 R19 V77 F81 L102Q12-L16 HydrophobicContact CG-CD1 4.12Å; Q12-L16 WeakPolarHBondContact O-CG 3.33Å; Q12-L16 PolarHBondContact O-N 2.01Å; H13-L16 PolarHBondContact O-N 2.89Å; N14-L16 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 3.09Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.85Å; L16-R19 PolarHBondContact O-N 3.27Å; L16-V77 HydrophobicContact CD1-CG1 3.76Å; L16-F81 HydrophobicContact CB-CD2 3.77Å; L16-F81 HydrophobicContact CB-CE2 3.9Å; L16-F81 HydrophobicContact CB-CG 4.18Å; L16-F81 HydrophobicContact CB-CZ 4.44Å; L16-F81 HydrophobicContact CD1-CB 3.94Å; L16-F81 HydrophobicContact CD1-CD2 4.44Å; L16-F81 HydrophobicContact CD1-CG 4.19Å; L16-F81 HydrophobicContact CD2-CB 4.35Å; L16-F81 HydrophobicContact CD2-CD1 3.81Å; L16-F81 HydrophobicContact CD2-CD2 4.34Å; L16-F81 HydrophobicContact CD2-CE1 4.13Å; L16-F81 HydrophobicContact CD2-CG 3.91Å; L16-F81 HydrophobicContact CG-CD2 4.4Å; L16-F81 HydrophobicContact CG-CG 4.31Å; L16-L102 HydrophobicContact CB-CD2 4.15Å; L16-L102 HydrophobicContact CD1-CD1 4.37Å
17R92.5Very high87.3Confident1 Ų142 Ų420%0.00422%0.223CC..Hα-helixtrans-58-34.6176.6-72.6170.169.579.8-5113.5H13 R19 M27 Q28 M30 L102 W104 A105 S107 L158H13-R17 WeakPolarHBondContact O-CB 3.08Å; H13-R17 WeakPolarHBondContact O-CG 3.15Å; H13-R17 PolarHBondContact O-N 3.49Å; R17-R19 VanDerWaalsContact C-N 3.25Å; R17-R19 PolarHBondContact O-N 3.45Å; R17-M27 HydrophobicContact CB-CG 3.83Å; R17-M27 HydrophobicContact CB-SD 4.02Å; R17-M27 HydrophobicContact CG-SD 4.1Å; R17-M27 PolarHBondContact NH2-SD 2.89Å; R17-Q28 PolarHBondContact NE-O 3.19Å; R17-Q28 PolarHBondContact NH2-O 3.19Å; R17-M30 VanDerWaalsContact CD-SD 3.57Å; R17-L102 HydrophobicContact CG-CD2 4.34Å; R17-L102 WeakPolarHBondContact CG-O 3.17Å; R17-L102 PolarHBondContact NH1-O 3.43Å; R17-W104 VanDerWaalsContact CZ-O 3.31Å; R17-W104 PolarHBondContact NH1-O 3.37Å; R17-W104 PolarHBondContact NH2-O 2.97Å; R17-A105 PolarHBondContact NH2-O 3.32Å; R17-S107 PolarHBondContact NH2-O 3.24Å; R17-L158 HydrophobicContact CB-CD2 3.9Å
18S88.8Confident87.2Confident37 Ų3739.8 Ų39.826%0.25920%0.203SC..THydrogen-bonded Turntrans-75.4-7.8176.752.60000114.5N14 R15 L16 G156N14-S18 WeakPolarHBondContact O-CB 3.06Å; N14-S18 PolarHBondContact O-N 2.81Å; N14-S18 VanDerWaalsContact O-N 3.08Å; N14-S18 PolarHBondContact O-OG 3.39Å; R15-S18 PolarHBondContact O-OG 2.83Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 2.85Å; S18-G156 VanDerWaalsContact CB-O 3.23Å; S18-G156 WeakPolarHBondContact CB-O 3.35Å
19R87.4Confident87Confident166 Ų16638.6 Ų38.663%0.62620%0.197SC*.THydrogen-bonded Turntrans-118.712-174.2-64.7177.5-177.7-167.5-2113.7R15 L16 R17R15-R19 WeakPolarHBondContact O-CD 3.14Å; R15-R19 WeakPolarHBondContact O-CG 2.98Å; L16-R19 PolarHBondContact O-N 3.27Å; R17-R19 VanDerWaalsContact C-N 3.25Å; R17-R19 PolarHBondContact O-N 3.45Å
20V86.7Confident86.9Confident4 Ų438.6 Ų38.62%0.02420%0.197CC..  trans-59.8145.9178.9-63.50000111.5P22 A24 M27 F81 V103 Y140V20-P22 CarbonylContact C-O 3.55Å; V20-P22 CarbonylContact O-C 3.49Å; V20-A24 HydrophobicContact CG2-CB 3.76Å; V20-M27 HydrophobicContact CG1-CE 4.15Å; V20-M27 HydrophobicContact CG2-CE 4Å; V20-F81 HydrophobicContact CG1-CE2 4.1Å; V20-V103 HydrophobicContact CG1-CB 3.94Å; V20-V103 HydrophobicContact CG1-CG1 3.59Å; V20-Y140 HydrophobicContact CB-CE1 4.12Å; V20-Y140 HydrophobicContact CG1-CE1 4.27Å; V20-Y140 HydrophobicContact CG2-CE1 4.18Å; V20-Y140 HydrophobicContact CG2-CE2 4.17Å
21M80.2Confident86.8Confident151 Ų15143.2 Ų43.274%0.74422%0.217SC*.SBendtrans-125.2124.4175.6-75.7-68.5-176.500109Y140M21-Y140 PolarHBondContact O-OH 2.93Å
22P81.1Confident86.9Confident58 Ų5842.9 Ų42.938%0.37720%0.204SC..SBendcis-63.2160-5.728.3-36000113.5V20 Y89 Y140 T142V20-P22 CarbonylContact C-O 3.55Å; V20-P22 CarbonylContact O-C 3.49Å; P22-Y89 HydrophobicContact CG-CD2 4.3Å; P22-Y140 HydrophobicContact CG-CE2 4.5Å; P22-Y140 VanDerWaalsContact O-CE2 3.26Å; P22-Y140 WeakPolarHBondContact O-CE2 3.45Å; P22-Y140 PolarHBondContact O-OH 3.15Å; P22-T142 HydrophobicContact CB-CG2 4.06Å; P22-T142 HydrophobicContact CG-CG2 3.4Å
23S81.3Confident86.7Confident35 Ų3544 Ų4425%0.24521%0.21CC..PPolyproline II helixtrans-63.8141.4-177.7-59.90000112.6T142 S143S23-T142 CarbonylContact O-C 3.55Å; S23-T142 WeakPolarHBondContact O-CA 3.38Å; S23-S143 PolarHBondContact O-N 3.21Å
24A79.6Confident86.3Confident5 Ų549.6 Ų49.64%0.04124%0.236CC..BIsolated β-bridgetrans-90.2141.4-17800000113.2V20 M27 Y140 K141 G147V20-A24 HydrophobicContact CG2-CB 3.76Å; A24-M27 HydrophobicContact CB-CB 3.77Å; A24-M27 HydrophobicContact CB-CE 3.72Å; A24-Y140 HydrophobicContact CB-CD2 3.6Å; A24-Y140 HydrophobicContact CB-CE2 4.21Å; A24-Y140 HydrophobicContact CB-CG 3.87Å; A24-K141 CarbonylContact C-O 3.55Å; A24-K141 WeakPolarHBondContact CA-O 3.13Å; A24-G147 PolarHBondContact O-N 2.75Å
25A74.6Confident86Confident3 Ų354.9 Ų54.93%0.02526%0.26CS..SBendtrans-94.5-14.1-179.900000113.9K141 S143 G147 C148A25-K141 HydrophobicContact CB-CB 4.29Å; A25-K141 HydrophobicContact CB-CG 4.46Å; A25-K141 WeakPolarHBondContact CB-O 3.21Å; A25-K141 PolarHBondContact N-O 2.91Å; A25-S143 VanDerWaalsContact CB-CB 3.5Å; A25-G147 CarbonylContact C-O 3.58Å; A25-G147 VanDerWaalsContact C-O 3.25Å; A25-G147 WeakPolarHBondContact CA-O 2.84Å; A25-C148 WeakPolarHBondContact O-CA 3.35Å
26N73.2Confident85.7Confident22 Ų2250.2 Ų50.212%0.11824%0.243CC..SBendtrans-14320.5-169.565.1-23.1000113.4Q28 K141 C159 T352N26-Q28 PolarHBondContact O-N 3.46Å; N26-Q28 VanDerWaalsContact O-N 3.11Å; N26-K141 PolarHBondContact OD1-N 2.83Å; N26-C159 VanDerWaalsContact C-SG 3.52Å; N26-T352 HydrophobicContact CB-CG2 3.78Å
27M84.8Confident85.3Confident2 Ų250.1 Ų50.11%0.0125%0.245CC..  trans-69.8105.9-176.8-170.469.36700111.2R17 V20 A24 V103 Y140 L158 C159R17-M27 HydrophobicContact CB-CG 3.83Å; R17-M27 HydrophobicContact CB-SD 4.02Å; R17-M27 HydrophobicContact CG-SD 4.1Å; R17-M27 PolarHBondContact NH2-SD 2.89Å; V20-M27 HydrophobicContact CG1-CE 4.15Å; V20-M27 HydrophobicContact CG2-CE 4Å; A24-M27 HydrophobicContact CB-CB 3.77Å; A24-M27 HydrophobicContact CB-CE 3.72Å; M27-V103 HydrophobicContact CE-CB 4.21Å; M27-V103 VanDerWaalsContact CE-O 3.3Å; M27-V103 WeakPolarHBondContact CE-O 3.38Å; M27-Y140 HydrophobicContact CE-CD1 3.6Å; M27-Y140 HydrophobicContact CE-CE1 4.26Å; M27-Y140 HydrophobicContact CE-CG 3.88Å; M27-L158 HydrophobicContact CB-CD2 4.11Å; M27-L158 HydrophobicContact CG-CD2 3.54Å; M27-L158 CarbonylContact O-C 3.58Å; M27-L158 WeakPolarHBondContact O-CA 3.49Å; M27-C159 PolarHBondContact O-N 2.04Å; M27-C159 PolarHBondContact O-SG 2.86Å
28Q83.4Confident84.9Confident34 Ų3456.9 Ų56.916%0.15927%0.274CS..BIsolated β-bridgetrans-71.4144.7178.5-61.3-179.223.600111.3R17 N26 A105 C159R17-Q28 PolarHBondContact NE-O 3.19Å; R17-Q28 PolarHBondContact NH2-O 3.19Å; N26-Q28 PolarHBondContact O-N 3.46Å; N26-Q28 VanDerWaalsContact O-N 3.11Å; Q28-A105 VanDerWaalsContact CB-O 3.24Å; Q28-A105 WeakPolarHBondContact CB-O 3.43Å; Q28-A105 WeakPolarHBondContact CG-O 3.22Å; Q28-A105 PolarHBondContact N-O 3.46Å; Q28-C159 HydrophobicContact CG-CB 4.44Å
29K85.8Confident84.4Confident63 Ų6357.9 Ų57.927%0.27428%0.275SS..PPolyproline II helixtrans-67.7135.4169.9-177.8175.9176.7178.90110L158 C159 E160K29-L158 HydrophobicContact CB-CB 4.04Å; K29-L158 HydrophobicContact CB-CD1 4.24Å; K29-L158 HydrophobicContact CG-CD1 4.23Å; K29-C159 WeakPolarHBondContact CB-O 3.36Å; K29-C159 PolarHBondContact N-O 3.47Å; K29-E160 HydrophobicContact CB-CG 4.13Å; K29-E160 HydrophobicContact CD-CG 3.54Å; K29-E160 WeakPolarHBondContact CD-OE1 3.45Å; K29-E160 WeakPolarHBondContact CE-OE1 3.18Å; K29-E160 IonicContact NZ-OE1 3.6Å; K29-E160 PolarHBondContact NZ-OE1 3.46Å; K29-E160 IonicContact NZ-OE2 3.47Å; K29-E160 PolarHBondContact NZ-OE2 3.39Å
30M90.9Very high83.9Confident0 Ų050.5 Ų50.50%025%0.247CC..PPolyproline II helixtrans-85.3143.7174-76.2178.2166.600111.9V10 H13 N14 R17 S107 S108 V110 Y124V10-M30 WeakPolarHBondContact CG1-O 2.96Å; H13-M30 HydrophobicContact CB-SD 3.81Å; N14-M30 PolarHBondContact ND2-O 2.64Å; N14-M30 PolarHBondContact OD1-N 2.71Å; R17-M30 VanDerWaalsContact CD-SD 3.57Å; M30-S107 WeakPolarHBondContact CE-O 3.44Å; M30-S107 VanDerWaalsContact CG-O 3.24Å; M30-S107 WeakPolarHBondContact CG-O 3.2Å; M30-S108 CarbonylContact C-O 3.59Å; M30-S108 WeakPolarHBondContact CA-O 3.37Å; M30-V110 HydrophobicContact CB-CG1 4.49Å; M30-V110 HydrophobicContact SD-CB 4.4Å; M30-V110 HydrophobicContact SD-CG1 4.44Å; M30-Y124 HydrophobicContact CE-CD1 3.7Å; M30-Y124 HydrophobicContact CE-CE1 4.06Å
31E91.1Very high83.4Confident117 Ų11751.7 Ų51.755%0.54726%0.257SS..EExtended strand (participates in β ladder)trans-122.4162169.8-60.3-166.7163.500110.7S108 H109 V110E31-S108 PolarHBondContact N-O 3.21Å; E31-H109 WeakPolarHBondContact O-CA 3.45Å; E31-V110 PolarHBondContact O-N 3.28Å
32W92.8Very high83Confident52 Ų5247.8 Ų47.820%0.19725%0.245CC..EExtended strand (participates in β ladder)trans-80.6133.6179.1-176.9-102.2000110.5L1 F6 V9 V10 A37 V110 C112L1-W32 HydrophobicContact CD1-CH2 4.42Å; F6-W32 HydrophobicContact CB-CD2 3.73Å; F6-W32 HydrophobicContact CB-CE3 4.08Å; F6-W32 HydrophobicContact CB-CG 4.05Å; F6-W32 HydrophobicContact CB-CH2 4.44Å; F6-W32 HydrophobicContact CB-CZ2 4.18Å; F6-W32 HydrophobicContact CB-CZ3 4.41Å; F6-W32 HydrophobicContact CD1-CD2 4.27Å; F6-W32 AromaticContact CD1-CE2 3.55Å; F6-W32 AromaticContact CD1-CH2 3.44Å; F6-W32 HydrophobicContact CD1-CH2 3.44Å; F6-W32 VanDerWaalsContact CD1-CH2 3.44Å; F6-W32 AromaticContact CD1-CZ2 3.1Å; F6-W32 HydrophobicContact CD1-CZ2 3.1Å; F6-W32 HydrophobicContact CD1-CZ3 4.19Å; F6-W32 HydrophobicContact CD2-CZ2 4.36Å; F6-W32 AromaticContact CD2-NE1 3.82Å; F6-W32 AromaticContact CE1-CH2 3.93Å; F6-W32 HydrophobicContact CE1-CH2 3.93Å; F6-W32 AromaticContact CE1-CZ2 3.35Å; F6-W32 HydrophobicContact CE1-CZ2 3.35Å; F6-W32 HydrophobicContact CG-CD2 4.06Å; F6-W32 AromaticContact CG-CE2 3.56Å; F6-W32 HydrophobicContact CG-CH2 4.2Å; F6-W32 AromaticContact CG-CZ2 3.67Å; F6-W32 HydrophobicContact CG-CZ2 3.67Å; F6-W32 AromaticContact CG-NE1 3.79Å; F6-W32 HydrophobicContact CZ-CZ2 4.16Å; V9-W32 HydrophobicContact CB-CZ3 4.32Å; V9-W32 HydrophobicContact CG1-CZ3 4.11Å; V10-W32 HydrophobicContact CG2-CB 3.79Å; V10-W32 HydrophobicContact CG2-CE3 4.01Å; W32-A37 HydrophobicContact CH2-CB 4.15Å; W32-A37 HydrophobicContact CZ2-CB 3.49Å; W32-A37 VanDerWaalsContact CZ2-CB 3.49Å; W32-V110 WeakPolarHBondContact CA-O 3.1Å; W32-V110 VanDerWaalsContact CE3-O 3.32Å; W32-C112 HydrophobicContact CH2-CB 3.99Å; W32-C112 WeakPolarHBondContact CH2-O 3.19Å; W32-C112 HydrophobicContact CZ3-CB 4.14Å
33D90.9Very high82.4Confident39 Ų3946.1 Ų46.121%0.20923%0.233CC..  trans-116112.5172.7-170.6-48.1000110.4Q35 L36 A37 H109 V110D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Q35 WeakPolarHBondContact OD1-CB 2.91Å; D33-Q35 PolarHBondContact OD1-N 3.01Å; D33-L36 HydrophobicContact CB-CB 3.98Å; D33-L36 HydrophobicContact CB-CD1 3.73Å; D33-L36 HydrophobicContact CB-CG 3.88Å; D33-L36 PolarHBondContact OD1-N 2.79Å; D33-A37 PolarHBondContact O-N 2.97Å; D33-A37 VanDerWaalsContact O-N 3.17Å; D33-H109 HydrophobicContact CB-CB 4.1Å; D33-H109 IonicContact OD2-CD2 3.69Å; D33-V110 PolarHBondContact N-O 2.79Å
34E88.5Confident81.4Confident116 Ų11645.6 Ų45.654%0.54223%0.229SC..Hα-helixtrans-69-30.1179.9-70.1-169.3-179.300113.3K38E34-K38 VanDerWaalsContact O-CG 3.27Å; E34-K38 WeakPolarHBondContact O-CG 3.03Å; E34-K38 PolarHBondContact O-N 3.18Å; E34-K38 IonicContact OE2-NZ 2.57Å
35Q86Confident80.3Confident128 Ų12850.9 Ų50.960%0.59826%0.256SS*.Hα-helixtrans-71.7-46.7179.8-178.8174.3-14.800109.7D33 A37 K38 E39D33-Q35 VanDerWaalsContact C-N 3.32Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Q35 WeakPolarHBondContact OD1-CB 2.91Å; D33-Q35 PolarHBondContact OD1-N 3.01Å; Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 3.04Å; Q35-K38 PolarHBondContact O-N 3.45Å; Q35-K38 VanDerWaalsContact O-N 3.13Å; Q35-E39 HydrophobicContact CG-CG 4.44Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.41Å; Q35-E39 PolarHBondContact NE2-OE1 3.29Å; Q35-E39 WeakPolarHBondContact O-CG 3.4Å; Q35-E39 PolarHBondContact O-N 2.89Å
36L85.7Confident79.5Confident9 Ų954.8 Ų54.85%0.04727%0.274CS..Hα-helixtrans-55.8-42.3172.9-72-178.2000111.8D33 E39 Q40 I59 H109 A123D33-L36 HydrophobicContact CB-CB 3.98Å; D33-L36 HydrophobicContact CB-CD1 3.73Å; D33-L36 HydrophobicContact CB-CG 3.88Å; D33-L36 PolarHBondContact OD1-N 2.79Å; L36-E39 PolarHBondContact O-N 2.71Å; L36-Q40 VanDerWaalsContact O-CB 3.24Å; L36-Q40 WeakPolarHBondContact O-CB 3.34Å; L36-Q40 PolarHBondContact O-N 2.81Å; L36-I59 HydrophobicContact CD2-CD1 4.01Å; L36-I59 HydrophobicContact CD2-CG2 4.21Å; L36-H109 HydrophobicContact CD1-CB 4.1Å; L36-A123 HydrophobicContact CB-CB 4.1Å; L36-A123 HydrophobicContact CD2-CB 4.42Å
37A86.8Confident78.5Confident11 Ų1159.3 Ų59.39%0.09130%0.298CS..Hα-helixtrans-64.9-39.6178.400000112.6W32 D33 Q35 A41W32-A37 HydrophobicContact CH2-CB 4.15Å; W32-A37 HydrophobicContact CZ2-CB 3.49Å; W32-A37 VanDerWaalsContact CZ2-CB 3.49Å; D33-A37 PolarHBondContact O-N 2.97Å; D33-A37 VanDerWaalsContact O-N 3.17Å; Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 3.04Å; A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.03Å
38K83.2Confident76.7Confident142 Ų14262.8 Ų62.862%0.61733%0.327SS*.Hα-helixtrans-68.1-45.2176.7-74.9168-173.8164.40111.6E34 Q35 Q40 A41 S42E34-K38 VanDerWaalsContact O-CG 3.27Å; E34-K38 WeakPolarHBondContact O-CG 3.03Å; E34-K38 PolarHBondContact O-N 3.18Å; E34-K38 IonicContact OE2-NZ 2.57Å; Q35-K38 PolarHBondContact O-N 3.45Å; Q35-K38 VanDerWaalsContact O-N 3.13Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-A41 PolarHBondContact O-N 2.92Å; K38-S42 PolarHBondContact O-N 3.24Å
39E79Confident74.9Confident59 Ų5965.1 Ų65.128%0.27635%0.347SS..Hα-helixtrans-60.2-46.5175.8-72.5174.9-169.500110.3Q35 L36 A41 S42 L43Q35-E39 HydrophobicContact CG-CG 4.44Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.41Å; Q35-E39 PolarHBondContact NE2-OE1 3.29Å; Q35-E39 WeakPolarHBondContact O-CG 3.4Å; Q35-E39 PolarHBondContact O-N 2.89Å; L36-E39 PolarHBondContact O-N 2.71Å; E39-A41 PolarHBondContact O-N 3.14Å; E39-S42 PolarHBondContact O-N 3.41Å; E39-S42 VanDerWaalsContact O-N 3.1Å; E39-S42 PolarHBondContact O-OG 2.58Å; E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 2.88Å
40Q77.6Confident73Confident11 Ų1165.4 Ų65.45%0.05135%0.351CS..Hα-helixtrans-59.7-42.2175.5-177.252.644.100112.9L36 K38 S42 L43 W61 A113 A121 A123L36-Q40 VanDerWaalsContact O-CB 3.24Å; L36-Q40 WeakPolarHBondContact O-CB 3.34Å; L36-Q40 PolarHBondContact O-N 2.81Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.3Å; Q40-L43 PolarHBondContact O-N 2.86Å; Q40-W61 HydrophobicContact CB-CZ3 4.25Å; Q40-A113 HydrophobicContact CB-CB 4.41Å; Q40-A113 HydrophobicContact CG-CB 4.12Å; Q40-A121 HydrophobicContact CG-CB 3.94Å; Q40-A123 HydrophobicContact CB-CB 4.31Å
41A76Confident70.9Confident28 Ų2868.6 Ų68.623%0.23137%0.368CS..Hα-helixtrans-62.6-38.2175.800000111.9A37 K38 E39 A113 Q115A37-A41 WeakPolarHBondContact O-CB 3.36Å; A37-A41 PolarHBondContact O-N 2.03Å; K38-A41 PolarHBondContact O-N 2.92Å; E39-A41 PolarHBondContact O-N 3.14Å; A41-A113 HydrophobicContact CB-CB 3.75Å; A41-Q115 PolarHBondContact O-OE1 3.15Å; A41-Q115 VanDerWaalsContact O-OE1 3.06Å
42S71.3Confident68.6Low69 Ų6971.1 Ų71.148%0.48338%0.379SS..Hα-helixtrans-69.2-34.3179.977.10000113.3K38 E39 Q40 C44 N45K38-S42 PolarHBondContact O-N 3.24Å; E39-S42 PolarHBondContact O-N 3.41Å; E39-S42 VanDerWaalsContact O-N 3.1Å; E39-S42 PolarHBondContact O-OG 2.58Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.3Å; S42-C44 VanDerWaalsContact C-N 3.34Å; S42-C44 PolarHBondContact O-N 2.76Å; S42-N45 PolarHBondContact O-N 2.03Å
43L67.7Low65.9Low24 Ų2474.1 Ų74.113%0.12640%0.404CS..Hα-helixtrans-70.2-27-178-82164.2000113.2E39 Q40 N45 Q46 L51 W61E39-L43 WeakPolarHBondContact O-CG 3.39Å; E39-L43 PolarHBondContact O-N 2.88Å; Q40-L43 PolarHBondContact O-N 2.86Å; L43-N45 PolarHBondContact O-N 3.06Å; L43-Q46 PolarHBondContact O-N 3.28Å; L43-L51 HydrophobicContact CB-CD2 4.03Å; L43-L51 HydrophobicContact CD2-CD2 3.84Å; L43-L51 HydrophobicContact CG-CD2 4.34Å; L43-W61 HydrophobicContact CD1-CH2 3.59Å; L43-W61 HydrophobicContact CD1-CZ2 4.2Å; L43-W61 HydrophobicContact CD1-CZ3 4.01Å
44C59.7Low63.5Low24 Ų2477.8 Ų77.816%0.16242%0.419CS..THydrogen-bonded Turntrans-69.9-7.8177.8-71.20000114.9S42S42-C44 VanDerWaalsContact C-N 3.34Å; S42-C44 PolarHBondContact O-N 2.76Å
45N56.7Low61.3Low116 Ų11675.6 Ų75.662%0.6242%0.417SS*.THydrogen-bonded Turntrans-92.4-4.2174.4-73.2-27.2000113.4S42 L43S42-N45 PolarHBondContact O-N 2.03Å; L43-N45 PolarHBondContact O-N 3.06Å
46Q57.5Low59.6Low84 Ų8475.4 Ų75.439%0.39341%0.414SS..SBendtrans-102.9148-178.7-64.1-172.42.300110.9L43L43-Q46 PolarHBondContact O-N 3.28Å
47D52.6Low58.4Low117 Ų11777 Ų7763%0.62643%0.432SS*.  trans-57.9137.9-180-155.7-7.1000110.4S49 I50D47-S49 PolarHBondContact O-N 3.24Å; D47-I50 HydrophobicContact CB-CD1 4.48Å; D47-I50 PolarHBondContact O-N 2.82Å
48A48.2Very low57.6Low75 Ų7579.8 Ų79.862%0.6244%0.443SS*.THydrogen-bonded Turntrans-58.7-16.8-170.700000113.8
49S44.9Very low57.4Low83 Ų8373.6 Ų73.658%0.5842%0.417SS*.THydrogen-bonded Turntrans-73.2-22.1174.660.50000114.5D47D47-S49 PolarHBondContact O-N 3.24Å
50I45.1Very low57.5Low69 Ų6971.1 Ų71.135%0.35441%0.407SS..THydrogen-bonded Turntrans-89.3-22.5-178.9-55.2175.8000111.7D47 H52 T53D47-I50 HydrophobicContact CB-CD1 4.48Å; D47-I50 PolarHBondContact O-N 2.82Å; I50-H52 PolarHBondContact O-N 3Å; I50-T53 PolarHBondContact O-N 3.46Å; I50-T53 VanDerWaalsContact O-N 3.17Å; I50-T53 PolarHBondContact O-OG1 3.05Å
51L47.3Very low57.8Low67 Ų6774.6 Ų74.635%0.35142%0.42SS..THydrogen-bonded Turntrans-64.6-23.5178.4-85.3158.6000113.8L43L43-L51 HydrophobicContact CB-CD2 4.03Å; L43-L51 HydrophobicContact CD2-CD2 3.84Å; L43-L51 HydrophobicContact CG-CD2 4.34Å
52H42.2Very low58.5Low171 Ų17173.4 Ų73.479%0.79241%0.41SS*.THydrogen-bonded Turntrans-78.8-19.5177.3-112.5-70.9000113.5I50I50-H52 PolarHBondContact O-N 3Å
53T36.1Very low59.2Low115 Ų11575 Ų7571%0.70641%0.411SS*.THydrogen-bonded Turntrans-105.1-16.8-170.844.40000114.5I50I50-T53 PolarHBondContact O-N 3.46Å; I50-T53 VanDerWaalsContact O-N 3.17Å; I50-T53 PolarHBondContact O-OG1 3.05Å
54Q41.7Very low60Low115 Ų11576.9 Ų76.954%0.53742%0.419SS..  trans-10529.2171.6-70-168.3-2.300113.2F56Q54-F56 VanDerWaalsContact C-N 3.29Å; Q54-F56 PolarHBondContact O-N 2.76Å
55S42.4Very low61Low70 Ų7081.4 Ų81.449%0.4944%0.441SS..  trans-6396.9166.5179.10000108.4G57S55-G57 PolarHBondContact O-N 3.06Å
56F50.5Low61.6Low125 Ų12576.5 Ų76.555%0.54842%0.415SS..  trans-52.6101.2148.7-73.9-72.5000105.2Q54 H58 I59Q54-F56 VanDerWaalsContact C-N 3.29Å; Q54-F56 PolarHBondContact O-N 2.76Å; F56-H58 VanDerWaalsContact CB-CE1 3.47Å; F56-H58 WeakPolarHBondContact CB-CE1 3.35Å; F56-H58 AromaticContact CD1-CE1 3.76Å; F56-H58 AromaticContact CG-CE1 3.98Å; F56-H58 PolarHBondContact O-N 2.62Å; F56-I59 HydrophobicContact CB-CD1 4.18Å; F56-I59 HydrophobicContact CB-CG1 4.28Å; F56-I59 PolarHBondContact O-N 3.29Å
57G59.1Low61.9Low41 Ų4176.7 Ų76.742%0.42343%0.432SS..THydrogen-bonded Turntrans-63.722.1-169.300000115.6S55 W130S55-G57 PolarHBondContact O-N 3.06Å; G57-W130 WeakPolarHBondContact O-CH2 3.08Å; G57-W130 WeakPolarHBondContact O-CZ3 2.98Å
58H69.7Low62.5Low71 Ų7178.4 Ų78.433%0.32944%0.441SS..THydrogen-bonded Turntrans-128.70.117857.6-98.1000113.1F56 Y125 P126 G127F56-H58 VanDerWaalsContact CB-CE1 3.47Å; F56-H58 WeakPolarHBondContact CB-CE1 3.35Å; F56-H58 AromaticContact CD1-CE1 3.76Å; F56-H58 AromaticContact CG-CE1 3.98Å; F56-H58 PolarHBondContact O-N 2.62Å; H58-Y125 HydrophobicContact CB-CE2 4.42Å; H58-Y125 AromaticContact CD2-CD2 3.97Å; H58-Y125 AromaticContact CD2-CE2 3.62Å; H58-Y125 WeakPolarHBondContact O-CD2 3.25Å; H58-P126 CarbonylContact O-C 3.45Å; H58-P126 WeakPolarHBondContact O-CA 3.46Å; H58-G127 PolarHBondContact O-N 2.9Å
59I79.4Confident62.8Low12 Ų1276.8 Ų76.86%0.06243%0.432CS..  trans-114.2130.8174.8-52.6178.5000109.2L36 F56 W61 A123 Y125L36-I59 HydrophobicContact CD2-CD1 4.01Å; L36-I59 HydrophobicContact CD2-CG2 4.21Å; F56-I59 HydrophobicContact CB-CD1 4.18Å; F56-I59 HydrophobicContact CB-CG1 4.28Å; F56-I59 PolarHBondContact O-N 3.29Å; I59-W61 HydrophobicContact CB-CH2 4.39Å; I59-W61 HydrophobicContact CB-CZ2 3.75Å; I59-W61 HydrophobicContact CD1-CH2 4.48Å; I59-W61 HydrophobicContact CD1-CZ2 4.38Å; I59-W61 HydrophobicContact CG2-CD2 4.07Å; I59-W61 HydrophobicContact CG2-CE3 4.2Å; I59-W61 HydrophobicContact CG2-CH2 3.61Å; I59-W61 HydrophobicContact CG2-CZ2 3.34Å; I59-W61 HydrophobicContact CG2-CZ3 4.03Å; I59-W61 PolarHBondContact O-NE1 3.16Å; I59-W61 VanDerWaalsContact O-NE1 3.15Å; I59-A123 HydrophobicContact CG2-CB 4.3Å; I59-Y125 HydrophobicContact CG1-CD2 4.35Å
60G82.6Confident63.3Low7 Ų777.1 Ų77.17%0.07244%0.439CS..EExtended strand (participates in β ladder)trans-104.2162.2176.800000111.8A123 Y124G60-A123 CarbonylContact O-C 3.58Å; G60-A123 WeakPolarHBondContact O-CA 3.35Å; G60-Y124 PolarHBondContact N-O 3.07Å; G60-Y124 PolarHBondContact O-N 3.22Å
61W83.9Confident64.4Low83 Ų8375.6 Ų75.631%0.31444%0.437SS..EExtended strand (participates in β ladder)trans-147.4139.8-172.2-39.986.6000112.4Q40 L43 I59 C122 A123Q40-W61 HydrophobicContact CB-CZ3 4.25Å; L43-W61 HydrophobicContact CD1-CH2 3.59Å; L43-W61 HydrophobicContact CD1-CZ2 4.2Å; L43-W61 HydrophobicContact CD1-CZ3 4.01Å; I59-W61 HydrophobicContact CB-CH2 4.39Å; I59-W61 HydrophobicContact CB-CZ2 3.75Å; I59-W61 HydrophobicContact CD1-CH2 4.48Å; I59-W61 HydrophobicContact CD1-CZ2 4.38Å; I59-W61 HydrophobicContact CG2-CD2 4.07Å; I59-W61 HydrophobicContact CG2-CE3 4.2Å; I59-W61 HydrophobicContact CG2-CH2 3.61Å; I59-W61 HydrophobicContact CG2-CZ2 3.34Å; I59-W61 HydrophobicContact CG2-CZ3 4.03Å; I59-W61 PolarHBondContact O-NE1 3.16Å; I59-W61 VanDerWaalsContact O-NE1 3.15Å; W61-C122 CarbonylContact C-O 3.52Å; W61-C122 VanDerWaalsContact CA-O 3.3Å; W61-C122 WeakPolarHBondContact CA-O 3.43Å; W61-A123 HydrophobicContact CD2-CB 4.41Å; W61-A123 HydrophobicContact CE3-CB 3.31Å; W61-A123 HydrophobicContact CH2-CB 4.2Å; W61-A123 HydrophobicContact CZ3-CB 3.21Å
62N89.4Confident66.1Low4 Ų474.9 Ų74.92%0.02144%0.437CS..EExtended strand (participates in β ladder)trans-120.7142.4164.8-74.3-6.1000109.5W80 H98 Q101 A121 C122 Y124N62-W80 HydrophobicContact CB-CD2 4Å; N62-W80 HydrophobicContact CB-CE3 3.92Å; N62-W80 HydrophobicContact CB-CH2 3.58Å; N62-W80 HydrophobicContact CB-CZ2 3.66Å; N62-W80 HydrophobicContact CB-CZ3 3.71Å; N62-H98 WeakPolarHBondContact ND2-CA 3.12Å; N62-H98 PolarHBondContact ND2-O 2.87Å; N62-H98 WeakPolarHBondContact OD1-CA 3.04Å; N62-Q101 WeakPolarHBondContact OD1-CB 3.31Å; N62-A121 CarbonylContact O-C 3.59Å; N62-A121 VanDerWaalsContact O-CA 3.28Å; N62-A121 WeakPolarHBondContact O-CA 2.97Å; N62-C122 PolarHBondContact N-O 2.93Å; N62-C122 PolarHBondContact O-N 3.32Å; N62-Y124 HydrophobicContact CB-CE2 3.85Å; N62-Y124 PolarHBondContact ND2-OH 2.69Å
63M86.5Confident68.3Low101 Ų10167.9 Ų67.950%0.49841%0.405SS..EExtended strand (participates in β ladder)trans-137.9144.9-178.5-170.6171.368.800111.2I119 F120 A121M63-I119 HydrophobicContact CG-CG2 3.4Å; M63-I119 HydrophobicContact SD-CD1 4.5Å; M63-I119 HydrophobicContact SD-CG2 3.66Å; M63-F120 CarbonylContact C-O 3.4Å; M63-F120 WeakPolarHBondContact CA-O 3.46Å; M63-A121 HydrophobicContact CB-CB 4.44Å; M63-A121 HydrophobicContact CG-CB 4.2Å
64H84.8Confident70.8Confident64 Ų6464.2 Ų64.230%0.29638%0.384SS..EExtended strand (participates in β ladder)trans-139.6127.9174.9-170.792.5000110I76 W80 I119 F120H64-I76 HydrophobicContact CB-CD1 4.47Å; H64-I76 HydrophobicContact CB-CG2 3.37Å; H64-W80 HydrophobicContact CB-CZ2 4Å; H64-I119 WeakPolarHBondContact O-CA 3.44Å; H64-F120 PolarHBondContact N-O 3.44Å; H64-F120 PolarHBondContact O-N 3.19Å
65L80Confident73Confident119 Ų11964 Ų6462%0.62339%0.385SS*.EExtended strand (participates in β ladder)trans-94.5117.1173.4-178.868.5000108.9I119L65-I119 HydrophobicContact CD1-CD1 4.18Å; L65-I119 HydrophobicContact CD1-CG1 3.48Å; L65-I119 VanDerWaalsContact CD1-CG1 3.48Å
66S70.1Confident75.3Confident13 Ų1360.8 Ų60.89%0.09136%0.363CS..  trans-92.4108176.1-171.20000109.9D68 G69 A71 L118S66-D68 PolarHBondContact O-N 3.48Å; S66-G69 PolarHBondContact O-N 3.43Å; S66-A71 WeakPolarHBondContact OG-CB 3.43Å; S66-L118 WeakPolarHBondContact CB-O 3.45Å; S66-L118 PolarHBondContact N-O 3.09Å; S66-L118 WeakPolarHBondContact O-CB 3.13Å; S66-L118 WeakPolarHBondContact O-CD1 3.49Å
67A64Low77.3Confident89 Ų8954.9 Ų54.974%0.73634%0.336SS*.THydrogen-bonded Turntrans-63.5-29.9178.700000113.1
68D63.5Low78.9Confident153 Ų15355.4 Ų55.482%0.81833%0.33SS*.THydrogen-bonded Turntrans-97.51.9-176-56.4-40.8000113.6S66 A70S66-D68 PolarHBondContact O-N 3.48Å; D68-A70 PolarHBondContact O-N 3.12Å; D68-A70 VanDerWaalsContact O-N 3.07Å
69G55.3Low79.9Confident41 Ų4154.3 Ų54.342%0.42333%0.333SS..SBendtrans65.78.4171.700000117.8S66S66-G69 PolarHBondContact O-N 3.43Å
70A56.5Low80.6Confident89 Ų8953.9 Ų53.974%0.73633%0.33SS*.  trans-138.414.8-172.900000115.1D68 S72D68-A70 PolarHBondContact O-N 3.12Å; D68-A70 VanDerWaalsContact O-N 3.07Å; A70-S72 PolarHBondContact O-N 2.82Å; A70-S72 VanDerWaalsContact O-N 3.17Å
71A66.4Low81.1Confident37 Ų3755.3 Ų55.331%0.30634%0.335SS..  trans-66.9118.3174.900000110.2S66 F73 I76S66-A71 WeakPolarHBondContact OG-CB 3.43Å; A71-F73 PolarHBondContact O-N 3.02Å; A71-I76 HydrophobicContact CB-CD1 4.05Å; A71-I76 HydrophobicContact CB-CG1 4.03Å
72S84Confident81.4Confident52 Ų5255.4 Ų55.436%0.36434%0.339SS..  trans-54.4138.2171173.60000109.6A70 S74 I75 I76A70-S72 PolarHBondContact O-N 2.82Å; A70-S72 VanDerWaalsContact O-N 3.17Å; S72-S74 PolarHBondContact O-N 3.36Å; S72-S74 PolarHBondContact OG-N 2.71Å; S72-S74 PolarHBondContact OG-OG 2.97Å; S72-I75 PolarHBondContact O-N 3.2Å; S72-I76 PolarHBondContact O-N 2.75Å
73F87.4Confident81.4Confident25 Ų2557 Ų5711%0.1135%0.346CS..Hα-helixtrans-50-31.1174.573.3-93.2000111.4Q8 V9 Q12 A71 I75 I76 V77 F120Q8-F73 HydrophobicContact CB-CE1 4.43Å; Q8-F73 HydrophobicContact CB-CE2 4.26Å; Q8-F73 HydrophobicContact CB-CZ 3.57Å; V9-F73 HydrophobicContact CB-CD2 4.47Å; V9-F73 HydrophobicContact CB-CE2 4.45Å; V9-F73 HydrophobicContact CG2-CD1 4.45Å; V9-F73 HydrophobicContact CG2-CD2 3.56Å; V9-F73 HydrophobicContact CG2-CE2 3.8Å; V9-F73 HydrophobicContact CG2-CG 3.95Å; V9-F73 HydrophobicContact CG2-CZ 4.36Å; Q12-F73 VanDerWaalsContact OE1-CE2 3.29Å; A71-F73 PolarHBondContact O-N 3.02Å; F73-I75 PolarHBondContact O-N 3.35Å; F73-I76 PolarHBondContact O-N 2.86Å; F73-V77 WeakPolarHBondContact O-CB 3.26Å; F73-V77 VanDerWaalsContact O-CG2 3.29Å; F73-V77 WeakPolarHBondContact O-CG2 2.99Å; F73-V77 PolarHBondContact O-N 3.46Å; F73-F120 HydrophobicContact CB-CD2 4.17Å; F73-F120 HydrophobicContact CB-CE1 4.28Å; F73-F120 HydrophobicContact CB-CE2 3.6Å; F73-F120 HydrophobicContact CB-CZ 3.65Å
74S89.3Confident81.2Confident38 Ų3853.1 Ų53.127%0.26633%0.332SS..Hα-helixtrans-65.2-40.2-18067.30000113.4Q12 S72 I76 D78Q12-S74 PolarHBondContact NE2-O 2.93Å; Q12-S74 VanDerWaalsContact OE1-CB 3.24Å; S72-S74 PolarHBondContact O-N 3.36Å; S72-S74 PolarHBondContact OG-N 2.71Å; S72-S74 PolarHBondContact OG-OG 2.97Å; S74-I76 VanDerWaalsContact C-N 3.29Å; S74-D78 WeakPolarHBondContact O-CB 3.38Å; S74-D78 VanDerWaalsContact O-CG 3.32Å; S74-D78 PolarHBondContact O-N 2.94Å
75I89.1Confident81Confident109 Ų10957.1 Ų57.156%0.55935%0.348SS*.Hα-helixtrans-65.9-40.2176.6-63.3174.2000109.3S72 F73 A79S72-I75 PolarHBondContact O-N 3.2Å; F73-I75 PolarHBondContact O-N 3.35Å; I75-A79 VanDerWaalsContact O-CB 3.29Å; I75-A79 WeakPolarHBondContact O-CB 3.48Å; I75-A79 PolarHBondContact O-N 3.11Å
76I90.4Very high80.7Confident4 Ų459.9 Ų59.92%0.02135%0.352CS..Hα-helixtrans-66.5-49.2-178.9-59.6173.6000111.2H64 A71 S72 F73 S74 D78 A79 W80 F120H64-I76 HydrophobicContact CB-CD1 4.47Å; H64-I76 HydrophobicContact CB-CG2 3.37Å; A71-I76 HydrophobicContact CB-CD1 4.05Å; A71-I76 HydrophobicContact CB-CG1 4.03Å; S72-I76 PolarHBondContact O-N 2.75Å; F73-I76 PolarHBondContact O-N 2.86Å; S74-I76 VanDerWaalsContact C-N 3.29Å; I76-D78 PolarHBondContact O-N 3.17Å; I76-A79 WeakPolarHBondContact O-CB 3Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-W80 HydrophobicContact CG2-CD2 4.24Å; I76-W80 HydrophobicContact CG2-CH2 4.25Å; I76-W80 HydrophobicContact CG2-CZ2 3.71Å; I76-W80 PolarHBondContact O-N 3.3Å; I76-F120 HydrophobicContact CB-CD1 4.14Å; I76-F120 HydrophobicContact CD1-CB 3.58Å; I76-F120 HydrophobicContact CD1-CD1 4.09Å; I76-F120 HydrophobicContact CD1-CG 3.97Å; I76-F120 HydrophobicContact CG2-CD1 3.65Å; I76-F120 HydrophobicContact CG2-CE1 4.28Å
77V92.5Very high80.8Confident0 Ų060.6 Ų60.60%035%0.353CS..Hα-helixtrans-65.3-39.1179.7174.30000111.2Q12 L16 F73 W80 F81 L102 F120Q12-V77 HydrophobicContact CG-CG1 4.08Å; L16-V77 HydrophobicContact CD1-CG1 3.76Å; F73-V77 WeakPolarHBondContact O-CB 3.26Å; F73-V77 VanDerWaalsContact O-CG2 3.29Å; F73-V77 WeakPolarHBondContact O-CG2 2.99Å; F73-V77 PolarHBondContact O-N 3.46Å; V77-W80 HydrophobicContact CG2-CE3 4.14Å; V77-W80 HydrophobicContact CG2-CZ3 4.08Å; V77-W80 PolarHBondContact O-N 3.37Å; V77-F81 PolarHBondContact O-N 2.91Å; V77-F81 VanDerWaalsContact O-N 3.11Å; V77-L102 HydrophobicContact CG1-CD1 3.86Å; V77-F120 HydrophobicContact CG2-CE1 3.87Å; V77-F120 HydrophobicContact CG2-CZ 4.27Å
78D92.9Very high81Confident53 Ų5361.3 Ų61.328%0.28334%0.344SS..Hα-helixtrans-65-40.3173.7-74.4-17.4000110.6Q12 R15 S74 I76 W80 F81 E82Q12-D78 PolarHBondContact NE2-OD1 3.39Å; Q12-D78 PolarHBondContact NE2-OD2 3.15Å; R15-D78 IonicContact NH2-OD1 2.69Å; R15-D78 PolarHBondContact NH2-OD1 3.44Å; R15-D78 IonicContact NH2-OD2 2.74Å; R15-D78 PolarHBondContact NH2-OD2 3.31Å; S74-D78 WeakPolarHBondContact O-CB 3.38Å; S74-D78 VanDerWaalsContact O-CG 3.32Å; S74-D78 PolarHBondContact O-N 2.94Å; I76-D78 PolarHBondContact O-N 3.17Å; D78-W80 PolarHBondContact O-N 3.49Å; D78-F81 WeakPolarHBondContact O-CB 2.94Å; D78-F81 PolarHBondContact O-N 2.02Å; D78-F81 VanDerWaalsContact O-N 3.12Å; D78-E82 WeakPolarHBondContact O-CG 3.25Å; D78-E82 PolarHBondContact O-N 3.19Å
79A90.6Very high80.6Confident47 Ų4755.5 Ų55.539%0.38831%0.311SS..Hα-helixtrans-63-39.1175.800000113.1I75 I76 F81 E82I75-A79 VanDerWaalsContact O-CB 3.29Å; I75-A79 WeakPolarHBondContact O-CB 3.48Å; I75-A79 PolarHBondContact O-N 3.11Å; I76-A79 WeakPolarHBondContact O-CB 3Å; I76-A79 PolarHBondContact O-N 2.99Å; A79-F81 VanDerWaalsContact C-N 3.31Å; A79-F81 PolarHBondContact O-N 3.47Å; A79-E82 PolarHBondContact O-N 2.85Å
80W92.8Very high80.6Confident4 Ų463.1 Ų63.12%0.01533%0.328CS..Hα-helixtrans-61-40.5171.5-68.7-24.4000111.9N62 H64 I76 V77 D78 E82 H98 Y99 L102 F120 C122N62-W80 HydrophobicContact CB-CD2 4Å; N62-W80 HydrophobicContact CB-CE3 3.92Å; N62-W80 HydrophobicContact CB-CH2 3.58Å; N62-W80 HydrophobicContact CB-CZ2 3.66Å; N62-W80 HydrophobicContact CB-CZ3 3.71Å; H64-W80 HydrophobicContact CB-CZ2 4Å; I76-W80 HydrophobicContact CG2-CD2 4.24Å; I76-W80 HydrophobicContact CG2-CH2 4.25Å; I76-W80 HydrophobicContact CG2-CZ2 3.71Å; I76-W80 PolarHBondContact O-N 3.3Å; V77-W80 HydrophobicContact CG2-CE3 4.14Å; V77-W80 HydrophobicContact CG2-CZ3 4.08Å; V77-W80 PolarHBondContact O-N 3.37Å; D78-W80 PolarHBondContact O-N 3.49Å; W80-E82 VanDerWaalsContact C-N 3.35Å; W80-H98 HydrophobicContact CB-CB 3.69Å; W80-H98 VanDerWaalsContact CD1-CB 3.48Å; W80-H98 AromaticContact CD1-CG 3.54Å; W80-H98 AromaticContact CD1-ND1 3.83Å; W80-H98 HydrophobicContact CD2-CB 4.34Å; W80-H98 HydrophobicContact CG-CB 3.59Å; W80-H98 AromaticContact NE1-CD2 3.91Å; W80-H98 AromaticContact NE1-CG 3.85Å; W80-Y99 WeakPolarHBondContact O-CA 3.4Å; W80-Y99 WeakPolarHBondContact O-CB 3.31Å; W80-Y99 PolarHBondContact O-N 2.98Å; W80-L102 HydrophobicContact CB-CD1 4.15Å; W80-F120 AromaticContact CH2-CD1 3.52Å; W80-F120 HydrophobicContact CH2-CD1 3.52Å; W80-F120 AromaticContact CH2-CE1 3.51Å; W80-F120 HydrophobicContact CH2-CE1 3.51Å; W80-F120 HydrophobicContact CZ2-CD1 4.02Å; W80-F120 HydrophobicContact CZ2-CE1 4.39Å; W80-F120 HydrophobicContact CZ3-CD1 4.23Å; W80-F120 AromaticContact CZ3-CE1 3.77Å; W80-F120 HydrophobicContact CZ3-CE1 3.77Å; W80-C122 HydrophobicContact CH2-CB 4.2Å; W80-C122 HydrophobicContact CZ3-CB 4.12Å
81F93.3Very high80.7Confident36 Ų3662 Ų6216%0.15832%0.315CS..Hα-helixtrans-69-34.1178.5-174.9-99.2000112.9L16 V20 V77 D78 A79 E83 G84 Y99 L102 V103L16-F81 HydrophobicContact CB-CD2 3.77Å; L16-F81 HydrophobicContact CB-CE2 3.9Å; L16-F81 HydrophobicContact CB-CG 4.18Å; L16-F81 HydrophobicContact CB-CZ 4.44Å; L16-F81 HydrophobicContact CD1-CB 3.94Å; L16-F81 HydrophobicContact CD1-CD2 4.44Å; L16-F81 HydrophobicContact CD1-CG 4.19Å; L16-F81 HydrophobicContact CD2-CB 4.35Å; L16-F81 HydrophobicContact CD2-CD1 3.81Å; L16-F81 HydrophobicContact CD2-CD2 4.34Å; L16-F81 HydrophobicContact CD2-CE1 4.13Å; L16-F81 HydrophobicContact CD2-CG 3.91Å; L16-F81 HydrophobicContact CG-CD2 4.4Å; L16-F81 HydrophobicContact CG-CG 4.31Å; V20-F81 HydrophobicContact CG1-CE2 4.1Å; V77-F81 PolarHBondContact O-N 2.91Å; V77-F81 VanDerWaalsContact O-N 3.11Å; D78-F81 WeakPolarHBondContact O-CB 2.94Å; D78-F81 PolarHBondContact O-N 2.02Å; D78-F81 VanDerWaalsContact O-N 3.12Å; A79-F81 VanDerWaalsContact C-N 3.31Å; A79-F81 PolarHBondContact O-N 3.47Å; F81-E83 PolarHBondContact O-N 2.8Å; F81-G84 PolarHBondContact O-N 2.79Å; F81-Y99 AromaticContact CD2-CD2 3.95Å; F81-Y99 HydrophobicContact CD2-CD2 3.95Å; F81-Y99 AromaticContact CD2-CE2 3.91Å; F81-Y99 HydrophobicContact CD2-CE2 3.91Å; F81-Y99 HydrophobicContact CE2-CD2 4.34Å; F81-Y99 AromaticContact CE2-CE2 3.82Å; F81-Y99 HydrophobicContact CE2-CE2 3.82Å; F81-Y99 HydrophobicContact CG-CD2 4.43Å; F81-Y99 HydrophobicContact CZ-CE2 4.41Å; F81-Y99 VanDerWaalsContact O-CD2 3.24Å; F81-Y99 WeakPolarHBondContact O-CD2 3.39Å; F81-L102 HydrophobicContact CB-CD1 4.24Å; F81-L102 HydrophobicContact CD2-CD2 3.97Å; F81-V103 HydrophobicContact CD2-CG1 3.99Å; F81-V103 HydrophobicContact CE2-CG1 3.82Å
82E90.8Very high80.1Confident86 Ų8661.3 Ų61.340%0.40231%0.311SS..Hα-helixtrans-63.3-21.3179.6-76.1-74.7137.400113.7D78 A79 W80 G84 K85D78-E82 WeakPolarHBondContact O-CG 3.25Å; D78-E82 PolarHBondContact O-N 3.19Å; A79-E82 PolarHBondContact O-N 2.85Å; W80-E82 VanDerWaalsContact C-N 3.35Å; E82-G84 PolarHBondContact O-N 2.61Å; E82-G84 VanDerWaalsContact O-N 3.13Å; E82-K85 WeakPolarHBondContact O-CB 3.24Å; E82-K85 PolarHBondContact O-N 3.06Å; E82-K85 VanDerWaalsContact O-N 3.07Å; E82-K85 IonicContact OE1-NZ 3.84Å; E82-K85 VanDerWaalsContact OE2-CD 3.23Å; E82-K85 WeakPolarHBondContact OE2-CD 3.12Å; E82-K85 WeakPolarHBondContact OE2-CE 3.49Å; E82-K85 IonicContact OE2-NZ 2.83Å; E82-K85 PolarHBondContact OE2-NZ 2.65Å
83E88.8Confident78.6Confident38 Ų3867.2 Ų67.218%0.17833%0.326CS..G310 helixtrans-55.9-28.2168.5-60.3176.9174.100111.8F81 K85 Y86 F87 C96 H98 Y99F81-E83 PolarHBondContact O-N 2.8Å; E83-K85 PolarHBondContact O-N 3.43Å; E83-K85 VanDerWaalsContact O-N 3.09Å; E83-Y86 PolarHBondContact O-N 3.17Å; E83-F87 PolarHBondContact O-N 2.6Å; E83-C96 HydrophobicContact CB-CB 4.17Å; E83-C96 PolarHBondContact O-SG 3.21Å; E83-C96 VanDerWaalsContact O-SG 3.38Å; E83-C96 VanDerWaalsContact OE2-CA 3.26Å; E83-C96 WeakPolarHBondContact OE2-CA 3.45Å; E83-H98 IonicContact OE1-CE1 3.78Å; E83-H98 IonicContact OE1-CG 3.51Å; E83-H98 IonicContact OE1-ND1 2.7Å; E83-H98 PolarHBondContact OE1-ND1 3.44Å; E83-H98 WeakPolarHBondContact OE2-CB 3.18Å; E83-H98 IonicContact OE2-CG 3.88Å; E83-H98 PolarHBondContact OE2-N 3.44Å; E83-H98 IonicContact OE2-ND1 3.72Å; E83-Y99 PolarHBondContact OE2-N 2.77Å; E83-Y99 VanDerWaalsContact OE2-N 3.09Å
84G82.7Confident76.9Confident19 Ų1970.1 Ų70.120%0.19635%0.354CS..G310 helixtrans-56.4-23.7175.800000114.4F81 E82 Y86 F87F81-G84 PolarHBondContact O-N 2.79Å; E82-G84 PolarHBondContact O-N 2.61Å; E82-G84 VanDerWaalsContact O-N 3.13Å; G84-Y86 PolarHBondContact O-N 2.8Å; G84-F87 WeakPolarHBondContact O-CB 2.85Å; G84-F87 PolarHBondContact O-N 3.23Å; G84-F87 VanDerWaalsContact O-N 3.15Å
85K80.8Confident75.7Confident147 Ų14773.4 Ų73.464%0.63937%0.373SS*.G310 helixtrans-61.8-28.6173.7-71.6179.8172.1170.10113E82 E83E82-K85 WeakPolarHBondContact O-CB 3.24Å; E82-K85 PolarHBondContact O-N 3.06Å; E82-K85 VanDerWaalsContact O-N 3.07Å; E82-K85 IonicContact OE1-NZ 3.84Å; E82-K85 VanDerWaalsContact OE2-CD 3.23Å; E82-K85 WeakPolarHBondContact OE2-CD 3.12Å; E82-K85 WeakPolarHBondContact OE2-CE 3.49Å; E82-K85 IonicContact OE2-NZ 2.83Å; E82-K85 PolarHBondContact OE2-NZ 2.65Å; E83-K85 PolarHBondContact O-N 3.43Å; E83-K85 VanDerWaalsContact O-N 3.09Å
86Y73.1Confident75.3Confident178 Ų17868.3 Ų68.370%0.69835%0.347SS*.G310 helixtrans-103.4-2179.4-53.7-75.4000112.1E83 G84 L88E83-Y86 PolarHBondContact O-N 3.17Å; G84-Y86 PolarHBondContact O-N 2.8Å; Y86-L88 PolarHBondContact O-N 3.02Å
87F71.9Confident75Confident28 Ų2875.3 Ų75.312%0.12337%0.373CS..  trans-77.5104.1177.8-177.7-107.1000110.4E83 G84 Y89 C96 Y99 T100 P139E83-F87 PolarHBondContact O-N 2.6Å; G84-F87 WeakPolarHBondContact O-CB 2.85Å; G84-F87 PolarHBondContact O-N 3.23Å; G84-F87 VanDerWaalsContact O-N 3.15Å; F87-Y89 VanDerWaalsContact CE1-CA 3.48Å; F87-Y89 AromaticContact CE1-CD2 3.95Å; F87-Y89 HydrophobicContact CE1-CD2 3.95Å; F87-Y89 HydrophobicContact CE1-CG 4.35Å; F87-Y89 PolarHBondContact O-N 2.83Å; F87-C96 HydrophobicContact CB-CB 4.16Å; F87-C96 HydrophobicContact CD2-CB 3.95Å; F87-C96 HydrophobicContact CG-CB 4.5Å; F87-Y99 HydrophobicContact CB-CD1 3.95Å; F87-Y99 HydrophobicContact CB-CE1 3.9Å; F87-Y99 HydrophobicContact CD1-CD1 4.2Å; F87-Y99 AromaticContact CD1-CE1 3.55Å; F87-Y99 HydrophobicContact CD1-CE1 3.55Å; F87-Y99 HydrophobicContact CD2-CD1 4.4Å; F87-Y99 HydrophobicContact CE1-CE1 4.16Å; F87-Y99 AromaticContact CG-CD1 3.93Å; F87-Y99 HydrophobicContact CG-CD1 3.93Å; F87-Y99 AromaticContact CG-CE1 3.74Å; F87-Y99 HydrophobicContact CG-CE1 3.74Å; F87-T100 HydrophobicContact CD2-CG2 3.8Å; F87-T100 HydrophobicContact CE2-CG2 3.38Å; F87-T100 HydrophobicContact CZ-CG2 3.84Å; F87-P139 HydrophobicContact CE1-CG 4.29Å; F87-P139 HydrophobicContact CZ-CG 4.22Å
88L68Low74.9Confident104 Ų10478.1 Ų78.155%0.54539%0.386SS..  trans-81.7103.8167.3-69.9175000108.5Y86 Y90 S91 G92Y86-L88 PolarHBondContact O-N 3.02Å; L88-Y90 PolarHBondContact O-N 2.78Å; L88-S91 WeakPolarHBondContact CB-OG 2.94Å; L88-S91 WeakPolarHBondContact CD1-OG 2.99Å; L88-S91 PolarHBondContact O-N 3.5Å; L88-S91 PolarHBondContact O-OG 3.31Å; L88-G92 PolarHBondContact O-N 3.41Å; L88-G92 VanDerWaalsContact O-N 3.1Å
89Y56.4Low74.8Confident30 Ų3076 Ų7612%0.11837%0.374CS..THydrogen-bonded Turntrans-46.1-35.6-174.4-174.7-86.5000114.5P22 F87 T138 Y140 T142P22-Y89 HydrophobicContact CG-CD2 4.3Å; F87-Y89 VanDerWaalsContact CE1-CA 3.48Å; F87-Y89 AromaticContact CE1-CD2 3.95Å; F87-Y89 HydrophobicContact CE1-CD2 3.95Å; F87-Y89 HydrophobicContact CE1-CG 4.35Å; F87-Y89 PolarHBondContact O-N 2.83Å; Y89-T138 HydrophobicContact CD1-CG2 4.35Å; Y89-T138 HydrophobicContact CE1-CG2 3.8Å; Y89-T138 HydrophobicContact CE2-CG2 4.45Å; Y89-Y140 HydrophobicContact CD2-CE2 4.49Å; Y89-Y140 HydrophobicContact CE2-CD2 4.27Å; Y89-Y140 AromaticContact CE2-CE2 3.89Å; Y89-Y140 HydrophobicContact CE2-CE2 3.89Å; Y89-Y140 PolarHBondContact OH-O 3.39Å; Y89-T142 HydrophobicContact CD2-CG2 4.49Å; Y89-T142 HydrophobicContact CE1-CG2 3.99Å; Y89-T142 HydrophobicContact CE2-CG2 3.74Å; Y89-T142 VanDerWaalsContact CZ-CG2 3.46Å; Y89-T142 WeakPolarHBondContact OH-CG2 3.4Å
90Y55.1Low74.7Confident201 Ų20174.3 Ų74.379%0.78836%0.359SS*.THydrogen-bonded Turntrans-94.5-3-178.4-61-75.6000115.5L88L88-Y90 PolarHBondContact O-N 2.78Å
91S58.3Low74.7Confident66 Ų6674.3 Ų74.346%0.46236%0.359SS..THydrogen-bonded Turntrans-127.7-6.6-176.164.30000115.2L88 R93L88-S91 WeakPolarHBondContact CB-OG 2.94Å; L88-S91 WeakPolarHBondContact CD1-OG 2.99Å; L88-S91 PolarHBondContact O-N 3.5Å; L88-S91 PolarHBondContact O-OG 3.31Å; S91-R93 PolarHBondContact O-N 2.83Å; S91-R93 VanDerWaalsContact O-N 3.16Å
92G53.2Low74.7Confident22 Ų2272.6 Ų72.623%0.22735%0.352CS..  trans49.747.6160.300000115.8L88L88-G92 PolarHBondContact O-N 3.41Å; L88-G92 VanDerWaalsContact O-N 3.1Å
93R52.7Low74.8Confident176 Ų17668.5 Ų68.566%0.66433%0.333SS*.  trans-66.1137.5178.7-72.7-174.5173-164.9-1.7111.8S91 T95 C96S91-R93 PolarHBondContact O-N 2.83Å; S91-R93 VanDerWaalsContact O-N 3.16Å; R93-T95 PolarHBondContact O-N 2.83Å; R93-C96 PolarHBondContact O-N 2.68Å
94A52.7Low74.9Confident86 Ų8666.9 Ų66.971%0.71133%0.325SS*.G310 helixtrans-62.3-3.9-172.600000116.9
95T64.2Low75Confident107 Ų10766.2 Ų66.266%0.65632%0.317SS*.G310 helixtrans-84.5-7.3-179.649.70000114.2R93R93-T95 PolarHBondContact O-N 2.83Å
96C79.9Confident75.1Confident2 Ų259.9 Ų59.91%0.01429%0.291CS..G310 helixtrans-110.224.2-173.4-51.60000113.4E83 F87 R93 H98 Y99 T100E83-C96 HydrophobicContact CB-CB 4.17Å; E83-C96 PolarHBondContact O-SG 3.21Å; E83-C96 VanDerWaalsContact O-SG 3.38Å; E83-C96 VanDerWaalsContact OE2-CA 3.26Å; E83-C96 WeakPolarHBondContact OE2-CA 3.45Å; F87-C96 HydrophobicContact CB-CB 4.16Å; F87-C96 HydrophobicContact CD2-CB 3.95Å; F87-C96 HydrophobicContact CG-CB 4.5Å; R93-C96 PolarHBondContact O-N 2.68Å; C96-H98 PolarHBondContact O-N 2.93Å; C96-Y99 WeakPolarHBondContact O-CB 3.37Å; C96-Y99 PolarHBondContact O-N 2.91Å; C96-T100 PolarHBondContact O-N 2.73Å; C96-T100 PolarHBondContact O-OG1 3.22Å
97R83.6Confident75.9Confident152 Ų15251.4 Ų51.457%0.57426%0.258SS*.Hα-helixtrans-62.6-31.2-172.5-72.1-172.877.1-136.62.3112.7T100 Q101 N129R97-T100 WeakPolarHBondContact CA-OG1 3.14Å; R97-T100 PolarHBondContact O-OG1 2.97Å; R97-Q101 WeakPolarHBondContact O-CB 3.36Å; R97-Q101 PolarHBondContact O-N 2.86Å; R97-Q101 VanDerWaalsContact O-N 3.15Å; R97-N129 PolarHBondContact O-ND2 2.92Å
98H90.2Very high76.6Confident59 Ų5951 Ų5127%0.27326%0.259SS..Hα-helixtrans-72.1-43.8177.7-53.4116.4000110.7N62 W80 E83 C96 L102N62-H98 WeakPolarHBondContact ND2-CA 3.12Å; N62-H98 PolarHBondContact ND2-O 2.87Å; N62-H98 WeakPolarHBondContact OD1-CA 3.04Å; W80-H98 HydrophobicContact CB-CB 3.69Å; W80-H98 VanDerWaalsContact CD1-CB 3.48Å; W80-H98 AromaticContact CD1-CG 3.54Å; W80-H98 AromaticContact CD1-ND1 3.83Å; W80-H98 HydrophobicContact CD2-CB 4.34Å; W80-H98 HydrophobicContact CG-CB 3.59Å; W80-H98 AromaticContact NE1-CD2 3.91Å; W80-H98 AromaticContact NE1-CG 3.85Å; E83-H98 IonicContact OE1-CE1 3.78Å; E83-H98 IonicContact OE1-CG 3.51Å; E83-H98 IonicContact OE1-ND1 2.7Å; E83-H98 PolarHBondContact OE1-ND1 3.44Å; E83-H98 WeakPolarHBondContact OE2-CB 3.18Å; E83-H98 IonicContact OE2-CG 3.88Å; E83-H98 PolarHBondContact OE2-N 3.44Å; E83-H98 IonicContact OE2-ND1 3.72Å; C96-H98 PolarHBondContact O-N 2.93Å; H98-L102 VanDerWaalsContact O-CB 3.32Å; H98-L102 WeakPolarHBondContact O-CB 3.43Å; H98-L102 PolarHBondContact O-N 3.45Å
99Y91.7Very high77.7Confident7 Ų748.9 Ų48.93%0.02725%0.246CC..Hα-helixtrans-56.6-54.7173.2167.8-102.9000111.3W80 F81 E83 F87 C96 Q101 L102 V103W80-Y99 WeakPolarHBondContact O-CA 3.4Å; W80-Y99 WeakPolarHBondContact O-CB 3.31Å; W80-Y99 PolarHBondContact O-N 2.98Å; F81-Y99 AromaticContact CD2-CD2 3.95Å; F81-Y99 HydrophobicContact CD2-CD2 3.95Å; F81-Y99 AromaticContact CD2-CE2 3.91Å; F81-Y99 HydrophobicContact CD2-CE2 3.91Å; F81-Y99 HydrophobicContact CE2-CD2 4.34Å; F81-Y99 AromaticContact CE2-CE2 3.82Å; F81-Y99 HydrophobicContact CE2-CE2 3.82Å; F81-Y99 HydrophobicContact CG-CD2 4.43Å; F81-Y99 HydrophobicContact CZ-CE2 4.41Å; F81-Y99 VanDerWaalsContact O-CD2 3.24Å; F81-Y99 WeakPolarHBondContact O-CD2 3.39Å; E83-Y99 PolarHBondContact OE2-N 2.77Å; E83-Y99 VanDerWaalsContact OE2-N 3.09Å; F87-Y99 HydrophobicContact CB-CD1 3.95Å; F87-Y99 HydrophobicContact CB-CE1 3.9Å; F87-Y99 HydrophobicContact CD1-CD1 4.2Å; F87-Y99 AromaticContact CD1-CE1 3.55Å; F87-Y99 HydrophobicContact CD1-CE1 3.55Å; F87-Y99 HydrophobicContact CD2-CD1 4.4Å; F87-Y99 HydrophobicContact CE1-CE1 4.16Å; F87-Y99 AromaticContact CG-CD1 3.93Å; F87-Y99 HydrophobicContact CG-CD1 3.93Å; F87-Y99 AromaticContact CG-CE1 3.74Å; F87-Y99 HydrophobicContact CG-CE1 3.74Å; C96-Y99 WeakPolarHBondContact O-CB 3.37Å; C96-Y99 PolarHBondContact O-N 2.91Å; Y99-Q101 VanDerWaalsContact C-N 3.29Å; Y99-Q101 PolarHBondContact O-N 2.99Å; Y99-L102 WeakPolarHBondContact O-CB 3.35Å; Y99-L102 PolarHBondContact O-N 3Å; Y99-L102 VanDerWaalsContact O-N 3.08Å; Y99-V103 HydrophobicContact CD1-CG2 4.22Å; Y99-V103 HydrophobicContact CD2-CG1 4.06Å; Y99-V103 HydrophobicContact CD2-CG2 4.42Å; Y99-V103 HydrophobicContact CE1-CG2 3.85Å; Y99-V103 HydrophobicContact CE2-CG1 3.72Å; Y99-V103 HydrophobicContact CE2-CG2 4.08Å; Y99-V103 HydrophobicContact CG-CG2 4.5Å; Y99-V103 WeakPolarHBondContact O-CG2 3.14Å; Y99-V103 PolarHBondContact O-N 3.1Å
100T89.6Confident79.5Confident13 Ų1347.5 Ų47.58%0.0824%0.24CC..Hα-helixtrans-61.6-37.1-174.751.10000112.2F87 C96 R97 V103 W104 N129 P139F87-T100 HydrophobicContact CD2-CG2 3.8Å; F87-T100 HydrophobicContact CE2-CG2 3.38Å; F87-T100 HydrophobicContact CZ-CG2 3.84Å; C96-T100 PolarHBondContact O-N 2.73Å; C96-T100 PolarHBondContact O-OG1 3.22Å; R97-T100 WeakPolarHBondContact CA-OG1 3.14Å; R97-T100 PolarHBondContact O-OG1 2.97Å; T100-V103 CarbonylContact O-C 3.54Å; T100-W104 PolarHBondContact O-N 3.34Å; T100-W104 VanDerWaalsContact O-N 3.07Å; T100-N129 WeakPolarHBondContact CB-OD1 3.01Å; T100-N129 PolarHBondContact OG1-OD1 2.86Å; T100-P139 HydrophobicContact CG2-CG 4.41Å
101Q91.4Very high81.3Confident3 Ų337.9 Ų37.91%0.01420%0.203CC..Hα-helixtrans-66.3-45.1173.5-178.757.482.300112.2N62 R97 Y99 V103 W104 S107 Y124 N129N62-Q101 WeakPolarHBondContact OD1-CB 3.31Å; R97-Q101 WeakPolarHBondContact O-CB 3.36Å; R97-Q101 PolarHBondContact O-N 2.86Å; R97-Q101 VanDerWaalsContact O-N 3.15Å; Y99-Q101 VanDerWaalsContact C-N 3.29Å; Y99-Q101 PolarHBondContact O-N 2.99Å; Q101-V103 VanDerWaalsContact C-N 3.25Å; Q101-V103 PolarHBondContact O-N 3.43Å; Q101-W104 WeakPolarHBondContact O-CB 3.41Å; Q101-W104 PolarHBondContact O-N 2.84Å; Q101-S107 PolarHBondContact NE2-OG 2.77Å; Q101-S107 VanDerWaalsContact NE2-OG 3.14Å; Q101-Y124 HydrophobicContact CG-CD1 4.33Å; Q101-Y124 HydrophobicContact CG-CD2 3.36Å; Q101-Y124 HydrophobicContact CG-CE2 3.65Å; Q101-Y124 HydrophobicContact CG-CG 3.73Å; Q101-N129 PolarHBondContact N-OD1 3.27Å
102L94Very high82.8Confident0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-60.4-38.6-179.6-175.2163.9000111L16 R17 V77 W80 F81 H98 Y99L16-L102 HydrophobicContact CB-CD2 4.15Å; L16-L102 HydrophobicContact CD1-CD1 4.37Å; R17-L102 HydrophobicContact CG-CD2 4.34Å; R17-L102 WeakPolarHBondContact CG-O 3.17Å; R17-L102 PolarHBondContact NH1-O 3.43Å; V77-L102 HydrophobicContact CG1-CD1 3.86Å; W80-L102 HydrophobicContact CB-CD1 4.15Å; F81-L102 HydrophobicContact CB-CD1 4.24Å; F81-L102 HydrophobicContact CD2-CD2 3.97Å; H98-L102 VanDerWaalsContact O-CB 3.32Å; H98-L102 WeakPolarHBondContact O-CB 3.43Å; H98-L102 PolarHBondContact O-N 3.45Å; Y99-L102 WeakPolarHBondContact O-CB 3.35Å; Y99-L102 PolarHBondContact O-N 3Å; Y99-L102 VanDerWaalsContact O-N 3.08Å
103V92.9Very high84.4Confident0 Ų034.2 Ų34.20%017%0.174CC..THydrogen-bonded Turntrans-97.317.4179.7-51.30000113.7V20 M27 F81 Y99 T100 Q101 A105 P139 Y140V20-V103 HydrophobicContact CG1-CB 3.94Å; V20-V103 HydrophobicContact CG1-CG1 3.59Å; M27-V103 HydrophobicContact CE-CB 4.21Å; M27-V103 VanDerWaalsContact CE-O 3.3Å; M27-V103 WeakPolarHBondContact CE-O 3.38Å; F81-V103 HydrophobicContact CD2-CG1 3.99Å; F81-V103 HydrophobicContact CE2-CG1 3.82Å; Y99-V103 HydrophobicContact CD1-CG2 4.22Å; Y99-V103 HydrophobicContact CD2-CG1 4.06Å; Y99-V103 HydrophobicContact CD2-CG2 4.42Å; Y99-V103 HydrophobicContact CE1-CG2 3.85Å; Y99-V103 HydrophobicContact CE2-CG1 3.72Å; Y99-V103 HydrophobicContact CE2-CG2 4.08Å; Y99-V103 HydrophobicContact CG-CG2 4.5Å; Y99-V103 WeakPolarHBondContact O-CG2 3.14Å; Y99-V103 PolarHBondContact O-N 3.1Å; T100-V103 CarbonylContact O-C 3.54Å; Q101-V103 VanDerWaalsContact C-N 3.25Å; Q101-V103 PolarHBondContact O-N 3.43Å; V103-A105 PolarHBondContact O-N 3.36Å; V103-P139 HydrophobicContact CG2-CB 4.04Å; V103-P139 HydrophobicContact CG2-CG 4.11Å; V103-Y140 HydrophobicContact CB-CD1 4.33Å; V103-Y140 HydrophobicContact CB-CE1 4.21Å; V103-Y140 HydrophobicContact CG2-CD1 4.02Å; V103-Y140 HydrophobicContact CG2-CE1 3.73Å; V103-Y140 WeakPolarHBondContact O-CD1 3.34Å
104W90.3Very high85.6Confident5 Ų529.8 Ų29.82%0.01916%0.162CC..  trans-69.7118.3178.6-156.7-96.5000110.6R17 T100 Q101 T106 S107 G128 W130 V137 P139 D280R17-W104 VanDerWaalsContact CZ-O 3.31Å; R17-W104 PolarHBondContact NH1-O 3.37Å; R17-W104 PolarHBondContact NH2-O 2.97Å; T100-W104 PolarHBondContact O-N 3.34Å; T100-W104 VanDerWaalsContact O-N 3.07Å; Q101-W104 WeakPolarHBondContact O-CB 3.41Å; Q101-W104 PolarHBondContact O-N 2.84Å; W104-T106 PolarHBondContact NE1-OG1 3.01Å; W104-T106 PolarHBondContact O-N 3.44Å; W104-T106 VanDerWaalsContact O-N 3.15Å; W104-S107 WeakPolarHBondContact CB-OG 3.41Å; W104-S107 PolarHBondContact O-N 2.97Å; W104-G128 VanDerWaalsContact CE2-CA 3.43Å; W104-G128 VanDerWaalsContact CG-CA 3.5Å; W104-W130 HydrophobicContact CZ2-CB 4.46Å; W104-W130 AromaticContact CZ2-CD1 3.49Å; W104-W130 VanDerWaalsContact CZ2-CD1 3.49Å; W104-W130 HydrophobicContact CZ2-CG 4.2Å; W104-V137 HydrophobicContact CH2-CB 3.95Å; W104-V137 HydrophobicContact CH2-CG1 3.85Å; W104-V137 WeakPolarHBondContact CH2-O 3.05Å; W104-V137 HydrophobicContact CZ2-CB 4.41Å; W104-V137 HydrophobicContact CZ2-CG1 3.96Å; W104-P139 CarbonylContact C-O 3.58Å; W104-P139 HydrophobicContact CD2-CB 4.38Å; W104-P139 HydrophobicContact CE3-CB 3.61Å; W104-P139 HydrophobicContact CZ3-CB 3.92Å; W104-D280 PolarHBondContact NE1-OD2 3.14Å
105A85.6Confident86.4Confident4 Ų428.5 Ų28.53%0.03314%0.142CC..THydrogen-bonded Turntrans-55.7-38.9-167.700000113.1R17 Q28 V103 P139R17-A105 PolarHBondContact NH2-O 3.32Å; Q28-A105 VanDerWaalsContact CB-O 3.24Å; Q28-A105 WeakPolarHBondContact CB-O 3.43Å; Q28-A105 WeakPolarHBondContact CG-O 3.22Å; Q28-A105 PolarHBondContact N-O 3.46Å; V103-A105 PolarHBondContact O-N 3.36Å; A105-P139 WeakPolarHBondContact CB-O 3.35Å; A105-P139 PolarHBondContact N-O 3.03Å
106T82.3Confident86.2Confident14 Ų1432.5 Ų32.59%0.08615%0.153CC..THydrogen-bonded Turntrans-88.6-16.8-174.250.60000113.7W104 S108 P126 D280W104-T106 PolarHBondContact NE1-OG1 3.01Å; W104-T106 PolarHBondContact O-N 3.44Å; W104-T106 VanDerWaalsContact O-N 3.15Å; T106-S108 PolarHBondContact O-N 2.74Å; T106-P126 VanDerWaalsContact O-CD 3.28Å; T106-P126 WeakPolarHBondContact O-CD 3.39Å; T106-D280 WeakPolarHBondContact CG2-OD1 3Å; T106-D280 PolarHBondContact OG1-OD1 3.46Å; T106-D280 PolarHBondContact OG1-OD2 2.97Å
107S89.3Confident85.1Confident0 Ų035.3 Ų35.30%017%0.172CC..  trans-65.698172.1-600000110.1R17 M30 Q101 W104 P126R17-S107 PolarHBondContact NH2-O 3.24Å; M30-S107 WeakPolarHBondContact CE-O 3.44Å; M30-S107 VanDerWaalsContact CG-O 3.24Å; M30-S107 WeakPolarHBondContact CG-O 3.2Å; Q101-S107 PolarHBondContact NE2-OG 2.77Å; Q101-S107 VanDerWaalsContact NE2-OG 3.14Å; W104-S107 WeakPolarHBondContact CB-OG 3.41Å; W104-S107 PolarHBondContact O-N 2.97Å; S107-P126 WeakPolarHBondContact CB-O 3.44Å; S107-P126 PolarHBondContact OG-O 3.14Å
108S87.3Confident84.6Confident20 Ų2031.9 Ų31.914%0.1417%0.165CC..  trans-104.5-7.2-176.2490000112.9M30 E31 T106 Y125M30-S108 CarbonylContact C-O 3.59Å; M30-S108 WeakPolarHBondContact CA-O 3.37Å; E31-S108 PolarHBondContact N-O 3.21Å; T106-S108 PolarHBondContact O-N 2.74Å; S108-Y125 PolarHBondContact N-O 2.78Å; S108-Y125 VanDerWaalsContact N-O 3.08Å
109H90.5Very high84Confident60 Ų6030.7 Ų30.728%0.27816%0.16SC..EExtended strand (participates in β ladder)trans-128.5137.6-179.4-63.368.9000109.5E31 D33 L36 Y124 Y125E31-H109 WeakPolarHBondContact O-CA 3.45Å; D33-H109 HydrophobicContact CB-CB 4.1Å; D33-H109 IonicContact OD2-CD2 3.69Å; L36-H109 HydrophobicContact CD1-CB 4.1Å; H109-Y124 WeakPolarHBondContact O-CA 3.15Å; H109-Y125 WeakPolarHBondContact CB-O 3.39Å; H109-Y125 PolarHBondContact N-O 3.12Å; H109-Y125 PolarHBondContact O-N 3.13Å
110V94.2Very high83.7Confident0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-135.1135.2176.2650000110.3V10 M30 E31 W32 D33 C122 A123 Y124V10-V110 HydrophobicContact CG2-CG1 3.91Å; M30-V110 HydrophobicContact CB-CG1 4.49Å; M30-V110 HydrophobicContact SD-CB 4.4Å; M30-V110 HydrophobicContact SD-CG1 4.44Å; E31-V110 PolarHBondContact O-N 3.28Å; W32-V110 WeakPolarHBondContact CA-O 3.1Å; W32-V110 VanDerWaalsContact CE3-O 3.32Å; D33-V110 PolarHBondContact N-O 2.79Å; V110-C122 HydrophobicContact CG2-CB 4.19Å; V110-A123 VanDerWaalsContact CA-O 3.31Å; V110-A123 WeakPolarHBondContact CA-O 3.45Å; V110-Y124 HydrophobicContact CB-CD1 4.39Å; V110-Y124 HydrophobicContact CG2-CD1 4.06Å; V110-Y124 HydrophobicContact CG2-CE1 3.87Å
111G92.8Very high83.6Confident0 Ų030 Ų300%016%0.156CC..EExtended strand (participates in β ladder)trans-134.4122.2173.700000110A123G111-A123 PolarHBondContact N-O 3.32Å; G111-A123 WeakPolarHBondContact O-CB 3.5Å; G111-A123 PolarHBondContact O-N 3.38Å
112C90.8Very high83.6Confident2 Ų229.8 Ų29.81%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-119.6152.8-176.3-49.20000112.6L1 W32 F120 A121 C122L1-C112 HydrophobicContact CD1-CB 4.3Å; W32-C112 HydrophobicContact CH2-CB 3.99Å; W32-C112 WeakPolarHBondContact CH2-O 3.19Å; W32-C112 HydrophobicContact CZ3-CB 4.14Å; C112-F120 HydrophobicContact CB-CE2 3.95Å; C112-F120 HydrophobicContact CB-CZ 3.99Å; C112-A121 CarbonylContact C-O 3.58Å; C112-A121 WeakPolarHBondContact CA-O 3.26Å; C112-A121 WeakPolarHBondContact CB-O 3.37Å; C112-C122 HydrophobicContact CB-CB 4.07Å; C112-C122 WeakPolarHBondContact CB-SG 3.36Å; C112-C122 WeakPolarHBondContact SG-CB 3.39Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 3.41Å
113A86.6Confident83.5Confident8 Ų829.8 Ų29.87%0.06616%0.155CC..EExtended strand (participates in β ladder)trans-134.2148.1176.600000111.6Q40 A41 A121Q40-A113 HydrophobicContact CB-CB 4.41Å; Q40-A113 HydrophobicContact CG-CB 4.12Å; A41-A113 HydrophobicContact CB-CB 3.75Å; A113-A121 PolarHBondContact N-O 3.35Å; A113-A121 PolarHBondContact O-N 3.49Å; A113-A121 VanDerWaalsContact O-N 3.12Å
114I78.8Confident83.2Confident83 Ų8329.8 Ų29.843%0.42616%0.155SC..EExtended strand (participates in β ladder)trans-122.6126.3165-62.6176.2000106L1 F120L1-I114 HydrophobicContact CD2-CD1 3.62Å; L1-I114 HydrophobicContact CD2-CG1 4.15Å; L1-I114 HydrophobicContact CG-CD1 4.33Å; L1-I114 HydrophobicContact CG-CG1 4.32Å; I114-F120 HydrophobicContact CD1-CD2 3.94Å; I114-F120 HydrophobicContact CD1-CE2 4.49Å; I114-F120 HydrophobicContact CG1-CB 4.5Å; I114-F120 HydrophobicContact CG1-CD2 3.54Å; I114-F120 HydrophobicContact CG1-CE2 4.28Å; I114-F120 HydrophobicContact CG1-CG 4.5Å
115Q68.8Low82.9Confident60 Ų6033.8 Ų33.828%0.2817%0.171SC..  trans-124.1171.6176.1-160.1122.72.300110.7A41 C117 L118A41-Q115 PolarHBondContact O-OE1 3.15Å; A41-Q115 VanDerWaalsContact O-OE1 3.06Å; Q115-C117 PolarHBondContact O-N 3.08Å; Q115-L118 PolarHBondContact O-N 3.27Å
116Q60.5Low83Confident190 Ų19033.8 Ų33.889%0.88817%0.171SC*.THydrogen-bonded Turntrans-55.7-0.1-178.5-73169.6-23.600115.3
117C55.7Low83.1Confident62 Ų6233.1 Ų33.142%0.41917%0.167SC..THydrogen-bonded Turntrans-959.7178.9-59.10000114.3Q115 I119Q115-C117 PolarHBondContact O-N 3.08Å; C117-I119 HydrophobicContact CB-CD1 4.15Å; C117-I119 HydrophobicContact CB-CG1 4.33Å; C117-I119 PolarHBondContact O-N 2.79Å; C117-I119 VanDerWaalsContact O-N 3.11Å
118L72.8Confident82.9Confident79 Ų7933.5 Ų33.541%0.41417%0.171SC..SBendtrans59.318.4-176-44.9179000114.3S66 Q115S66-L118 WeakPolarHBondContact CB-O 3.45Å; S66-L118 PolarHBondContact N-O 3.09Å; S66-L118 WeakPolarHBondContact O-CB 3.13Å; S66-L118 WeakPolarHBondContact O-CD1 3.49Å; Q115-L118 PolarHBondContact O-N 3.27Å
119I78.1Confident82.8Confident34 Ų3434 Ų3417%0.17417%0.172CC..EExtended strand (participates in β ladder)trans-98.7126.1179-64.9169.1000109M63 H64 L65 C117 A121M63-I119 HydrophobicContact CG-CG2 3.4Å; M63-I119 HydrophobicContact SD-CD1 4.5Å; M63-I119 HydrophobicContact SD-CG2 3.66Å; H64-I119 WeakPolarHBondContact O-CA 3.44Å; L65-I119 HydrophobicContact CD1-CD1 4.18Å; L65-I119 HydrophobicContact CD1-CG1 3.48Å; L65-I119 VanDerWaalsContact CD1-CG1 3.48Å; C117-I119 HydrophobicContact CB-CD1 4.15Å; C117-I119 HydrophobicContact CB-CG1 4.33Å; C117-I119 PolarHBondContact O-N 2.79Å; C117-I119 VanDerWaalsContact O-N 3.11Å; I119-A121 HydrophobicContact CG2-CB 4.31Å
120F85.9Confident82.2Confident4 Ų432.7 Ų32.72%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-99.5124163.7178.5-105.8000108.6L1 M63 H64 F73 I76 V77 W80 C112 I114 C122L1-F120 HydrophobicContact CD1-CE2 4.45Å; M63-F120 CarbonylContact C-O 3.4Å; M63-F120 WeakPolarHBondContact CA-O 3.46Å; H64-F120 PolarHBondContact N-O 3.44Å; H64-F120 PolarHBondContact O-N 3.19Å; F73-F120 HydrophobicContact CB-CD2 4.17Å; F73-F120 HydrophobicContact CB-CE1 4.28Å; F73-F120 HydrophobicContact CB-CE2 3.6Å; F73-F120 HydrophobicContact CB-CZ 3.65Å; I76-F120 HydrophobicContact CB-CD1 4.14Å; I76-F120 HydrophobicContact CD1-CB 3.58Å; I76-F120 HydrophobicContact CD1-CD1 4.09Å; I76-F120 HydrophobicContact CD1-CG 3.97Å; I76-F120 HydrophobicContact CG2-CD1 3.65Å; I76-F120 HydrophobicContact CG2-CE1 4.28Å; V77-F120 HydrophobicContact CG2-CE1 3.87Å; V77-F120 HydrophobicContact CG2-CZ 4.27Å; W80-F120 AromaticContact CH2-CD1 3.52Å; W80-F120 HydrophobicContact CH2-CD1 3.52Å; W80-F120 AromaticContact CH2-CE1 3.51Å; W80-F120 HydrophobicContact CH2-CE1 3.51Å; W80-F120 HydrophobicContact CZ2-CD1 4.02Å; W80-F120 HydrophobicContact CZ2-CE1 4.39Å; W80-F120 HydrophobicContact CZ3-CD1 4.23Å; W80-F120 AromaticContact CZ3-CE1 3.77Å; W80-F120 HydrophobicContact CZ3-CE1 3.77Å; C112-F120 HydrophobicContact CB-CE2 3.95Å; C112-F120 HydrophobicContact CB-CZ 3.99Å; I114-F120 HydrophobicContact CD1-CD2 3.94Å; I114-F120 HydrophobicContact CD1-CE2 4.49Å; I114-F120 HydrophobicContact CG1-CB 4.5Å; I114-F120 HydrophobicContact CG1-CD2 3.54Å; I114-F120 HydrophobicContact CG1-CE2 4.28Å; I114-F120 HydrophobicContact CG1-CG 4.5Å; F120-C122 VanDerWaalsContact CE1-SG 3.5Å; F120-C122 WeakPolarHBondContact CZ-SG 3.21Å
121A87.7Confident81.2Confident1 Ų139.2 Ų39.21%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-135.1142.1179.300000111.2Q40 N62 M63 C112 A113 I119Q40-A121 HydrophobicContact CG-CB 3.94Å; N62-A121 CarbonylContact O-C 3.59Å; N62-A121 VanDerWaalsContact O-CA 3.28Å; N62-A121 WeakPolarHBondContact O-CA 2.97Å; M63-A121 HydrophobicContact CB-CB 4.44Å; M63-A121 HydrophobicContact CG-CB 4.2Å; C112-A121 CarbonylContact C-O 3.58Å; C112-A121 WeakPolarHBondContact CA-O 3.26Å; C112-A121 WeakPolarHBondContact CB-O 3.37Å; A113-A121 PolarHBondContact N-O 3.35Å; A113-A121 PolarHBondContact O-N 3.49Å; A113-A121 VanDerWaalsContact O-N 3.12Å; I119-A121 HydrophobicContact CG2-CB 4.31Å
122C90.6Very high79.5Confident0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-124.9132.4176.8-69.50000110W61 N62 W80 V110 C112 F120 Y124W61-C122 CarbonylContact C-O 3.52Å; W61-C122 VanDerWaalsContact CA-O 3.3Å; W61-C122 WeakPolarHBondContact CA-O 3.43Å; N62-C122 PolarHBondContact N-O 2.93Å; N62-C122 PolarHBondContact O-N 3.32Å; W80-C122 HydrophobicContact CH2-CB 4.2Å; W80-C122 HydrophobicContact CZ3-CB 4.12Å; V110-C122 HydrophobicContact CG2-CB 4.19Å; C112-C122 HydrophobicContact CB-CB 4.07Å; C112-C122 WeakPolarHBondContact CB-SG 3.36Å; C112-C122 WeakPolarHBondContact SG-CB 3.39Å; C112-C122 CovalentContact SG-SG 2.04Å; C112-C122 PolarHBondContact SG-SG 3.41Å; F120-C122 VanDerWaalsContact CE1-SG 3.5Å; F120-C122 WeakPolarHBondContact CZ-SG 3.21Å; C122-Y124 HydrophobicContact CB-CE2 3.8Å; C122-Y124 VanDerWaalsContact O-CE2 3.31Å; C122-Y124 WeakPolarHBondContact O-CE2 3.2Å
123A91.2Very high78Confident0 Ų045.6 Ų45.60%023%0.23CC..EExtended strand (participates in β ladder)trans-95.8142.3170.100000109.8L36 Q40 I59 G60 W61 V110 G111L36-A123 HydrophobicContact CB-CB 4.1Å; L36-A123 HydrophobicContact CD2-CB 4.42Å; Q40-A123 HydrophobicContact CB-CB 4.31Å; I59-A123 HydrophobicContact CG2-CB 4.3Å; G60-A123 CarbonylContact O-C 3.58Å; G60-A123 WeakPolarHBondContact O-CA 3.35Å; W61-A123 HydrophobicContact CD2-CB 4.41Å; W61-A123 HydrophobicContact CE3-CB 3.31Å; W61-A123 HydrophobicContact CH2-CB 4.2Å; W61-A123 HydrophobicContact CZ3-CB 3.21Å; V110-A123 VanDerWaalsContact CA-O 3.31Å; V110-A123 WeakPolarHBondContact CA-O 3.45Å; G111-A123 PolarHBondContact N-O 3.32Å; G111-A123 WeakPolarHBondContact O-CB 3.5Å; G111-A123 PolarHBondContact O-N 3.38Å
124Y88.7Confident77Confident0 Ų048.5 Ų48.50%026%0.26CS..EExtended strand (participates in β ladder)trans-126.2128.8-177.8-58.5-93.7000109.6H13 M30 G60 N62 Q101 H109 V110 C122 P126 G127H13-Y124 AromaticContact CD2-CE1 3.91Å; H13-Y124 AromaticContact NE2-CE1 3.82Å; H13-Y124 AromaticContact NE2-CZ 3.99Å; H13-Y124 PolarHBondContact NE2-OH 3.37Å; M30-Y124 HydrophobicContact CE-CD1 3.7Å; M30-Y124 HydrophobicContact CE-CE1 4.06Å; G60-Y124 PolarHBondContact N-O 3.07Å; G60-Y124 PolarHBondContact O-N 3.22Å; N62-Y124 HydrophobicContact CB-CE2 3.85Å; N62-Y124 PolarHBondContact ND2-OH 2.69Å; Q101-Y124 HydrophobicContact CG-CD1 4.33Å; Q101-Y124 HydrophobicContact CG-CD2 3.36Å; Q101-Y124 HydrophobicContact CG-CE2 3.65Å; Q101-Y124 HydrophobicContact CG-CG 3.73Å; H109-Y124 WeakPolarHBondContact O-CA 3.15Å; V110-Y124 HydrophobicContact CB-CD1 4.39Å; V110-Y124 HydrophobicContact CG2-CD1 4.06Å; V110-Y124 HydrophobicContact CG2-CE1 3.87Å; C122-Y124 HydrophobicContact CB-CE2 3.8Å; C122-Y124 VanDerWaalsContact O-CE2 3.31Å; C122-Y124 WeakPolarHBondContact O-CE2 3.2Å; Y124-P126 CarbonylContact O-C 3.46Å; Y124-G127 PolarHBondContact O-N 3.11Å
125Y82.9Confident76.3Confident88 Ų8853.5 Ų53.535%0.34527%0.273SS..EExtended strand (participates in β ladder)trans-124.7134.6172.8-177.5-98.1000112.3H58 I59 S108 H109H58-Y125 HydrophobicContact CB-CE2 4.42Å; H58-Y125 AromaticContact CD2-CD2 3.97Å; H58-Y125 AromaticContact CD2-CE2 3.62Å; H58-Y125 WeakPolarHBondContact O-CD2 3.25Å; I59-Y125 HydrophobicContact CG1-CD2 4.35Å; S108-Y125 PolarHBondContact N-O 2.78Å; S108-Y125 VanDerWaalsContact N-O 3.08Å; H109-Y125 WeakPolarHBondContact CB-O 3.39Å; H109-Y125 PolarHBondContact N-O 3.12Å; H109-Y125 PolarHBondContact O-N 3.13Å
126P86.7Confident76.4Confident5 Ų553.1 Ų53.13%0.03228%0.276CS..SBendcis-58.6157.1-20.3-24.637.5000112.4H58 T106 S107 Y124 Q276H58-P126 CarbonylContact O-C 3.45Å; H58-P126 WeakPolarHBondContact O-CA 3.46Å; T106-P126 VanDerWaalsContact O-CD 3.28Å; T106-P126 WeakPolarHBondContact O-CD 3.39Å; S107-P126 WeakPolarHBondContact CB-O 3.44Å; S107-P126 PolarHBondContact OG-O 3.14Å; Y124-P126 CarbonylContact O-C 3.46Å; P126-Q276 HydrophobicContact CB-CB 3.46Å; P126-Q276 VanDerWaalsContact CB-CB 3.46Å; P126-Q276 HydrophobicContact CB-CG 3.41Å; P126-Q276 VanDerWaalsContact CB-CG 3.41Å; P126-Q276 HydrophobicContact CG-CB 3.68Å; P126-Q276 HydrophobicContact CG-CG 3.56Å
127G84.8Confident77.1Confident0 Ų044.6 Ų44.60%024%0.237CC..  trans-64.9157.8173.500000112.3H58 Y124 W130H58-G127 PolarHBondContact O-N 2.9Å; Y124-G127 PolarHBondContact O-N 3.11Å; G127-W130 WeakPolarHBondContact O-CZ2 3.45Å; G127-W130 PolarHBondContact O-NE1 3.17Å
128G85.9Confident78.2Confident8 Ų843.2 Ų43.28%0.08223%0.227CC..  trans-119.2-157175.700000112.4W104W104-G128 VanDerWaalsContact CE2-CA 3.43Å; W104-G128 VanDerWaalsContact CG-CA 3.5Å
129N85.3Confident78.8Confident31 Ų3139.6 Ų39.617%0.16621%0.208CC..  trans60.242.5178.1-60.7-19.6000113.4R97 T100 Q101R97-N129 PolarHBondContact O-ND2 2.92Å; T100-N129 WeakPolarHBondContact CB-OD1 3.01Å; T100-N129 PolarHBondContact OG1-OD1 2.86Å; Q101-N129 PolarHBondContact N-OD1 3.27Å
130W77.9Confident78.9Confident32 Ų3238.2 Ų38.212%0.12120%0.2CC..  trans-72.9146.8176.2-52.6125.1000111.9G57 W104 G127 V137 K277 D280 I281G57-W130 WeakPolarHBondContact O-CH2 3.08Å; G57-W130 WeakPolarHBondContact O-CZ3 2.98Å; W104-W130 HydrophobicContact CZ2-CB 4.46Å; W104-W130 AromaticContact CZ2-CD1 3.49Å; W104-W130 VanDerWaalsContact CZ2-CD1 3.49Å; W104-W130 HydrophobicContact CZ2-CG 4.2Å; G127-W130 WeakPolarHBondContact O-CZ2 3.45Å; G127-W130 PolarHBondContact O-NE1 3.17Å; W130-V137 HydrophobicContact CB-CB 4.25Å; W130-V137 HydrophobicContact CB-CG2 4.11Å; W130-V137 WeakPolarHBondContact O-CB 3.24Å; W130-V137 PolarHBondContact O-N 2.92Å; W130-K277 HydrophobicContact CD2-CB 4.11Å; W130-K277 HydrophobicContact CD2-CG 3.82Å; W130-K277 HydrophobicContact CE3-CB 4.27Å; W130-K277 HydrophobicContact CE3-CD 3.97Å; W130-K277 HydrophobicContact CE3-CG 3.76Å; W130-K277 HydrophobicContact CG-CG 4.37Å; W130-K277 HydrophobicContact CH2-CB 4.09Å; W130-K277 HydrophobicContact CH2-CD 4.5Å; W130-K277 HydrophobicContact CH2-CG 4.4Å; W130-K277 HydrophobicContact CZ2-CB 3.87Å; W130-K277 HydrophobicContact CZ2-CG 4.41Å; W130-K277 HydrophobicContact CZ3-CB 4.27Å; W130-K277 HydrophobicContact CZ3-CD 3.95Å; W130-K277 HydrophobicContact CZ3-CG 4.06Å; W130-D280 PolarHBondContact NE1-OD2 2.92Å; W130-I281 HydrophobicContact CB-CD1 4.33Å; W130-I281 HydrophobicContact CB-CG1 4Å
131E72.4Confident78.3Confident136 Ų13640.3 Ų40.364%0.63621%0.21SC*.EExtended strand (participates in β ladder)trans-124.5143172.8-65.1-177.1174.500109.6R135E131-R135 WeakPolarHBondContact CA-O 3.45Å
132T56.8Low77.6Confident15 Ų1542.8 Ų42.89%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-132.4125174.3175.10000109.9G134 R135 V137 L238 I281 F284T132-G134 PolarHBondContact O-N 2.86Å; T132-G134 VanDerWaalsContact O-N 3.12Å; T132-R135 PolarHBondContact N-O 3.15Å; T132-R135 WeakPolarHBondContact O-CA 3.23Å; T132-R135 WeakPolarHBondContact O-CB 3.32Å; T132-R135 PolarHBondContact O-N 3.17Å; T132-V137 HydrophobicContact CG2-CG2 4.18Å; T132-L238 VanDerWaalsContact OG1-CD1 3.23Å; T132-L238 WeakPolarHBondContact OG1-CD1 3.45Å; T132-I281 HydrophobicContact CG2-CG2 4.1Å; T132-F284 HydrophobicContact CG2-CD1 4.5Å
133N59.6Low76.5Confident122 Ų12245 Ų4565%0.65224%0.24SC*.THydrogen-bonded Turntrans4939.2-178.4-64.1-21.7000113.9R135N133-R135 VanDerWaalsContact C-N 3.26Å; N133-R135 PolarHBondContact O-N 3.35Å
134G65Low75Confident68 Ų6850.9 Ų50.970%0.70128%0.282SS*.THydrogen-bonded Turntrans74.39.2-177.800000115T132T132-G134 PolarHBondContact O-N 2.86Å; T132-G134 VanDerWaalsContact O-N 3.12Å
135R64.2Low73.1Confident188 Ų18857.7 Ų57.771%0.70932%0.315SS*.EExtended strand (participates in β ladder)trans-107.3127.4174.4-60.9-175-178.3-171.60.9110.3E131 T132 N133E131-R135 WeakPolarHBondContact CA-O 3.45Å; T132-R135 PolarHBondContact N-O 3.15Å; T132-R135 WeakPolarHBondContact O-CA 3.23Å; T132-R135 WeakPolarHBondContact O-CB 3.32Å; T132-R135 PolarHBondContact O-N 3.17Å; N133-R135 VanDerWaalsContact C-N 3.26Å; N133-R135 PolarHBondContact O-N 3.35Å
136P71.6Confident71.4Confident53 Ų5356.6 Ų56.634%0.34432%0.32SS..EExtended strand (participates in β ladder)trans-71.1137.4176.628-32000111
137V74.6Confident69.6Low10 Ų1056.8 Ų56.86%0.06132%0.323CS..PPolyproline II helixtrans-74.8137.9172.3171.50000109.3W104 W130 T132 I281 F284W104-V137 HydrophobicContact CH2-CB 3.95Å; W104-V137 HydrophobicContact CH2-CG1 3.85Å; W104-V137 WeakPolarHBondContact CH2-O 3.05Å; W104-V137 HydrophobicContact CZ2-CB 4.41Å; W104-V137 HydrophobicContact CZ2-CG1 3.96Å; W130-V137 HydrophobicContact CB-CB 4.25Å; W130-V137 HydrophobicContact CB-CG2 4.11Å; W130-V137 WeakPolarHBondContact O-CB 3.24Å; W130-V137 PolarHBondContact O-N 2.92Å; T132-V137 HydrophobicContact CG2-CG2 4.18Å; V137-I281 HydrophobicContact CG2-CG1 4.12Å; V137-F284 HydrophobicContact CB-CD1 4.5Å; V137-F284 HydrophobicContact CB-CG 4.26Å; V137-F284 HydrophobicContact CG1-CB 3.66Å; V137-F284 HydrophobicContact CG1-CD1 4.47Å; V137-F284 HydrophobicContact CG1-CD2 4.01Å; V137-F284 HydrophobicContact CG1-CG 3.79Å; V137-F284 HydrophobicContact CG2-CB 4.31Å; V137-F284 HydrophobicContact CG2-CD1 3.96Å; V137-F284 HydrophobicContact CG2-CG 4.11Å
138T80.4Confident68.4Low33 Ų3357 Ų5720%0.20233%0.325CS..PPolyproline II helixtrans-69.5142.6177.449.80000111.3Y89 Y140 F284Y89-T138 HydrophobicContact CD1-CG2 4.35Å; Y89-T138 HydrophobicContact CE1-CG2 3.8Å; Y89-T138 HydrophobicContact CE2-CG2 4.45Å; T138-Y140 VanDerWaalsContact C-N 3.34Å; T138-Y140 PolarHBondContact O-N 3.05Å; T138-F284 HydrophobicContact CG2-CD2 4.5Å; T138-F284 HydrophobicContact CG2-CE2 3.85Å; T138-F284 VanDerWaalsContact OG1-CD2 3.3Å; T138-F284 WeakPolarHBondContact OG1-CD2 3.37Å; T138-F284 WeakPolarHBondContact OG1-CE2 3.3Å
139P84.4Confident66.7Low3 Ų360.9 Ų60.92%0.01934%0.339CS..SBendtrans-73.7-19.9-170.427.6-35.4000114.6F87 T100 V103 W104 A105F87-P139 HydrophobicContact CE1-CG 4.29Å; F87-P139 HydrophobicContact CZ-CG 4.22Å; T100-P139 HydrophobicContact CG2-CG 4.41Å; V103-P139 HydrophobicContact CG2-CB 4.04Å; V103-P139 HydrophobicContact CG2-CG 4.11Å; W104-P139 CarbonylContact C-O 3.58Å; W104-P139 HydrophobicContact CD2-CB 4.38Å; W104-P139 HydrophobicContact CE3-CB 3.61Å; W104-P139 HydrophobicContact CZ3-CB 3.92Å; A105-P139 WeakPolarHBondContact CB-O 3.35Å; A105-P139 PolarHBondContact N-O 3.03Å
140Y81Confident64.8Low5 Ų571.3 Ų71.32%0.0238%0.376CS..SBendtrans-158.9163.2179.852.3-98.3000110.5V20 M21 P22 A24 M27 Y89 V103 T138 T142V20-Y140 HydrophobicContact CB-CE1 4.12Å; V20-Y140 HydrophobicContact CG1-CE1 4.27Å; V20-Y140 HydrophobicContact CG2-CE1 4.18Å; V20-Y140 HydrophobicContact CG2-CE2 4.17Å; M21-Y140 PolarHBondContact O-OH 2.93Å; P22-Y140 HydrophobicContact CG-CE2 4.5Å; P22-Y140 VanDerWaalsContact O-CE2 3.26Å; P22-Y140 WeakPolarHBondContact O-CE2 3.45Å; P22-Y140 PolarHBondContact O-OH 3.15Å; A24-Y140 HydrophobicContact CB-CD2 3.6Å; A24-Y140 HydrophobicContact CB-CE2 4.21Å; A24-Y140 HydrophobicContact CB-CG 3.87Å; M27-Y140 HydrophobicContact CE-CD1 3.6Å; M27-Y140 HydrophobicContact CE-CE1 4.26Å; M27-Y140 HydrophobicContact CE-CG 3.88Å; Y89-Y140 HydrophobicContact CD2-CE2 4.49Å; Y89-Y140 HydrophobicContact CE2-CD2 4.27Å; Y89-Y140 AromaticContact CE2-CE2 3.89Å; Y89-Y140 HydrophobicContact CE2-CE2 3.89Å; Y89-Y140 PolarHBondContact OH-O 3.39Å; V103-Y140 HydrophobicContact CB-CD1 4.33Å; V103-Y140 HydrophobicContact CB-CE1 4.21Å; V103-Y140 HydrophobicContact CG2-CD1 4.02Å; V103-Y140 HydrophobicContact CG2-CE1 3.73Å; V103-Y140 WeakPolarHBondContact O-CD1 3.34Å; T138-Y140 VanDerWaalsContact C-N 3.34Å; T138-Y140 PolarHBondContact O-N 3.05Å; Y140-T142 HydrophobicContact CE2-CG2 4.27Å
141K73.2Confident63.2Low48 Ų4873 Ų7321%0.20939%0.388CS..  trans-86137.8172.8-170.6171.8-171.2163.10109.8A24 A25 N26 E290 T352A24-K141 CarbonylContact C-O 3.55Å; A24-K141 WeakPolarHBondContact CA-O 3.13Å; A25-K141 HydrophobicContact CB-CB 4.29Å; A25-K141 HydrophobicContact CB-CG 4.46Å; A25-K141 WeakPolarHBondContact CB-O 3.21Å; A25-K141 PolarHBondContact N-O 2.91Å; N26-K141 PolarHBondContact OD1-N 2.83Å; K141-E290 IonicContact NZ-OE2 2.63Å; K141-E290 PolarHBondContact NZ-OE2 3.15Å; K141-T352 HydrophobicContact CB-CG2 4.42Å; K141-T352 HydrophobicContact CD-CG2 3.7Å
142T72.7Confident62Low54 Ų5468.2 Ų68.233%0.33136%0.364SS..BIsolated β-bridgetrans-85.6151.1-179.863.40000112.3P22 S23 Y89 Y140P22-T142 HydrophobicContact CB-CG2 4.06Å; P22-T142 HydrophobicContact CG-CG2 3.4Å; S23-T142 CarbonylContact O-C 3.55Å; S23-T142 WeakPolarHBondContact O-CA 3.38Å; Y89-T142 HydrophobicContact CD2-CG2 4.49Å; Y89-T142 HydrophobicContact CE1-CG2 3.99Å; Y89-T142 HydrophobicContact CE2-CG2 3.74Å; Y89-T142 VanDerWaalsContact CZ-CG2 3.46Å; Y89-T142 WeakPolarHBondContact OH-CG2 3.4Å; Y140-T142 HydrophobicContact CE2-CG2 4.27Å
143S67.2Low61.6Low46 Ų4671.9 Ų71.932%0.32238%0.383SS..  trans-151.9155.5177.5158.20000111S23 A25 M145S23-S143 PolarHBondContact O-N 3.21Å; A25-S143 VanDerWaalsContact CB-CB 3.5Å; S143-M145 WeakPolarHBondContact CB-O 3.19Å; S143-M145 PolarHBondContact O-N 3.05Å; S143-M145 PolarHBondContact OG-N 3.19Å; S143-M145 PolarHBondContact OG-O 2.96Å
144S59Low61.3Low124 Ų12471.5 Ų71.587%0.86738%0.377SS*.SBendtrans-71.7-15.1171.957.30000113.5
145M50.2Low60.7Low143 Ų14372.2 Ų72.270%0.70437%0.367SS*.SBendtrans-122.2133172.8-64.5-165.3-70.900110.3S143 G147S143-M145 WeakPolarHBondContact CB-O 3.19Å; S143-M145 PolarHBondContact O-N 3.05Å; S143-M145 PolarHBondContact OG-N 3.19Å; S143-M145 PolarHBondContact OG-O 2.96Å; M145-G147 PolarHBondContact O-N 3.07Å
146S47.2Very low60.4Low65 Ų6566.2 Ų66.246%0.45536%0.364SS..SBendtrans-71.1117170.557.90000109.7
147G49.1Very low60.3Low9 Ų964.5 Ų64.59%0.09336%0.356CS..SBendtrans142.4178177.700000113.2A24 A25 M145A24-G147 PolarHBondContact O-N 2.75Å; A25-G147 CarbonylContact C-O 3.58Å; A25-G147 VanDerWaalsContact C-O 3.25Å; A25-G147 WeakPolarHBondContact CA-O 2.84Å; M145-G147 PolarHBondContact O-N 3.07Å
148C59.7Low60.5Low5 Ų564.4 Ų64.43%0.03436%0.355CS..  trans-104.7144.9-164.4-51.60000110.2A25 W152 H154 C159A25-C148 WeakPolarHBondContact O-CA 3.35Å; C148-W152 HydrophobicContact CB-CB 3.68Å; C148-W152 HydrophobicContact CB-CG 3.92Å; C148-H154 PolarHBondContact N-CE1 2.88Å; C148-H154 PolarHBondContact O-CE1 2.67Å; C148-H154 PolarHBondContact O-NE2 3.12Å; C148-C159 HydrophobicContact CB-CB 3.75Å; C148-C159 WeakPolarHBondContact CB-SG 3.45Å; C148-C159 WeakPolarHBondContact SG-CA 3.24Å; C148-C159 WeakPolarHBondContact SG-CB 3.39Å; C148-C159 PolarHBondContact SG-N 2.84Å; C148-C159 CovalentContact SG-SG 1.98Å; C148-C159 PolarHBondContact SG-SG 2.8Å
149F48.8Very low60.2Low88 Ų8863.2 Ų63.239%0.38635%0.348SS..  trans-52.8151.5179.5-88.2-89.2000111.5L151 W152 L350 T352F149-L151 PolarHBondContact O-N 3.35Å; F149-W152 PolarHBondContact O-N 2.77Å; F149-L350 VanDerWaalsContact CB-O 3.25Å; F149-L350 WeakPolarHBondContact CB-O 3.27Å; F149-L350 WeakPolarHBondContact CD1-O 3.21Å; F149-L350 WeakPolarHBondContact CD2-O 3.42Å; F149-L350 WeakPolarHBondContact CG-O 3.24Å; F149-T352 HydrophobicContact CD2-CG2 4.45Å
150R45.1Very low59.5Low250 Ų25064.3 Ų64.394%0.94335%0.353SS*.THydrogen-bonded Turntrans-34.3-3.1-166.6-77.1-178171.6176.2-1.8120.6
151L44.9Very low58.5Low69 Ų6969.6 Ų69.636%0.36138%0.38SS..THydrogen-bonded Turntrans-97-27.3179.7-71.5134.5000113.1F149 F333F149-L151 PolarHBondContact O-N 3.35Å; L151-F333 HydrophobicContact CB-CD1 4.22Å; L151-F333 WeakPolarHBondContact O-CD1 3.41Å; L151-F333 WeakPolarHBondContact O-CE1 3.27Å
152W48.4Very low57.5Low34 Ų3469.2 Ų69.213%0.12938%0.382CS..SBendtrans-95.9149.5-174.2-57.472000112.5C148 F149 C159 I161 F333C148-W152 HydrophobicContact CB-CB 3.68Å; C148-W152 HydrophobicContact CB-CG 3.92Å; F149-W152 PolarHBondContact O-N 2.77Å; W152-C159 HydrophobicContact CB-CB 4.42Å; W152-C159 HydrophobicContact CD2-CB 3.92Å; W152-C159 HydrophobicContact CE3-CB 3.62Å; W152-C159 HydrophobicContact CG-CB 4.29Å; W152-C159 HydrophobicContact CZ3-CB 4.18Å; W152-I161 HydrophobicContact CE3-CG1 4.27Å; W152-I161 HydrophobicContact CH2-CG1 4.25Å; W152-I161 HydrophobicContact CZ3-CD1 4.41Å; W152-I161 HydrophobicContact CZ3-CG1 3.54Å; W152-F333 HydrophobicContact CD2-CB 3.32Å; W152-F333 HydrophobicContact CD2-CG 4.1Å; W152-F333 HydrophobicContact CE3-CB 3.79Å; W152-F333 HydrophobicContact CE3-CG 4.3Å; W152-F333 HydrophobicContact CG-CB 3.79Å; W152-F333 HydrophobicContact CG-CG 4.4Å; W152-F333 HydrophobicContact CH2-CB 3.91Å; W152-F333 HydrophobicContact CZ2-CB 3.46Å; W152-F333 VanDerWaalsContact CZ2-CB 3.46Å; W152-F333 HydrophobicContact CZ3-CB 4.07Å
153D47.5Very low56.7Low93 Ų9376 Ų7650%0.49741%0.407SS..EExtended strand (participates in β ladder)trans-73.8133.3178.5-138-10.7000110.3V155 E160D153-V155 PolarHBondContact O-N 2.82Å; D153-E160 PolarHBondContact N-O 2.87Å
154H52.6Low56.2Low114 Ų11479 Ų7953%0.52842%0.42SS..EExtended strand (participates in β ladder)trans-94.482.4-175.6-68.6-82.4000111.2C148C148-H154 PolarHBondContact N-CE1 2.88Å; C148-H154 PolarHBondContact O-CE1 2.67Å; C148-H154 PolarHBondContact O-NE2 3.12Å
155V53.6Low55.9Low82 Ų8276.8 Ų76.850%0.49740%0.403SS..EExtended strand (participates in β ladder)trans-109.1111.3171.5-175.60000109.3D153 G157 E160D153-V155 PolarHBondContact O-N 2.82Å; V155-G157 VanDerWaalsContact C-N 3.34Å; V155-G157 PolarHBondContact O-N 3.07Å; V155-E160 WeakPolarHBondContact CB-OE1 3.48Å
156G57.8Low56.3Low62 Ų6271 Ų7164%0.63938%0.376SS*.THydrogen-bonded Turntrans69.620.9171.900000116.2S18S18-G156 VanDerWaalsContact CB-O 3.23Å; S18-G156 WeakPolarHBondContact CB-O 3.35Å
157G68.7Low57.1Low17 Ų1779.1 Ų79.118%0.17540%0.397CS..THydrogen-bonded Turntrans8314.1175.600000115.5V155V155-G157 VanDerWaalsContact C-N 3.34Å; V155-G157 PolarHBondContact O-N 3.07Å
158L79.8Confident57.6Low8 Ų880.5 Ų80.54%0.04240%0.401CS..EExtended strand (participates in β ladder)trans-119.6157.8177.1-59.5173.1000111.1N14 R17 M27 K29N14-L158 HydrophobicContact CB-CD1 3.61Å; N14-L158 WeakPolarHBondContact OD1-CD1 3.41Å; R17-L158 HydrophobicContact CB-CD2 3.9Å; M27-L158 HydrophobicContact CB-CD2 4.11Å; M27-L158 HydrophobicContact CG-CD2 3.54Å; M27-L158 CarbonylContact O-C 3.58Å; M27-L158 WeakPolarHBondContact O-CA 3.49Å; K29-L158 HydrophobicContact CB-CB 4.04Å; K29-L158 HydrophobicContact CB-CD1 4.24Å; K29-L158 HydrophobicContact CG-CD1 4.23Å
159C74.4Confident57.9Low8 Ų884.7 Ų84.75%0.05443%0.431CS..EExtended strand (participates in β ladder)trans-80.2120.4175.2-450000110.2N26 M27 Q28 K29 C148 W152N26-C159 VanDerWaalsContact C-SG 3.52Å; M27-C159 PolarHBondContact O-N 2.04Å; M27-C159 PolarHBondContact O-SG 2.86Å; Q28-C159 HydrophobicContact CG-CB 4.44Å; K29-C159 WeakPolarHBondContact CB-O 3.36Å; K29-C159 PolarHBondContact N-O 3.47Å; C148-C159 HydrophobicContact CB-CB 3.75Å; C148-C159 WeakPolarHBondContact CB-SG 3.45Å; C148-C159 WeakPolarHBondContact SG-CA 3.24Å; C148-C159 WeakPolarHBondContact SG-CB 3.39Å; C148-C159 PolarHBondContact SG-N 2.84Å; C148-C159 CovalentContact SG-SG 1.98Å; C148-C159 PolarHBondContact SG-SG 2.8Å; W152-C159 HydrophobicContact CB-CB 4.42Å; W152-C159 HydrophobicContact CD2-CB 3.92Å; W152-C159 HydrophobicContact CE3-CB 3.62Å; W152-C159 HydrophobicContact CG-CB 4.29Å; W152-C159 HydrophobicContact CZ3-CB 4.18Å
160E69.6Low58.5Low26 Ų2680.7 Ų80.712%0.12141%0.414CS..EExtended strand (participates in β ladder)trans-115139.2171.9-61-161.1-157.400111.9K29 D153 V155K29-E160 HydrophobicContact CB-CG 4.13Å; K29-E160 HydrophobicContact CD-CG 3.54Å; K29-E160 WeakPolarHBondContact CD-OE1 3.45Å; K29-E160 WeakPolarHBondContact CE-OE1 3.18Å; K29-E160 IonicContact NZ-OE1 3.6Å; K29-E160 PolarHBondContact NZ-OE1 3.46Å; K29-E160 IonicContact NZ-OE2 3.47Å; K29-E160 PolarHBondContact NZ-OE2 3.39Å; D153-E160 PolarHBondContact N-O 2.87Å; V155-E160 WeakPolarHBondContact CB-OE1 3.48Å
161I58.6Low59.8Low117 Ų11771 Ų7160%0.639%0.392SS*.  trans-76.7120.7165.9-57.9176.6000106.8W152 K163 F333W152-I161 HydrophobicContact CE3-CG1 4.27Å; W152-I161 HydrophobicContact CH2-CG1 4.25Å; W152-I161 HydrophobicContact CZ3-CD1 4.41Å; W152-I161 HydrophobicContact CZ3-CG1 3.54Å; I161-K163 PolarHBondContact O-N 3.24Å; I161-F333 HydrophobicContact CB-CD2 4.23Å; I161-F333 HydrophobicContact CG1-CD2 4.29Å; I161-F333 HydrophobicContact CG2-CD2 3.83Å; I161-F333 HydrophobicContact CG2-CE2 3.75Å
162P52.6Low61.3Low39 Ų3976.7 Ų76.725%0.25342%0.416SS..  trans-54.6135.6175.2-23.236.2000112.7N164 F333P162-N164 PolarHBondContact O-N 3.3Å; P162-N164 VanDerWaalsContact O-N 3.12Å; P162-F333 HydrophobicContact CB-CZ 4.14Å; P162-F333 VanDerWaalsContact CD-CD2 3.5Å; P162-F333 HydrophobicContact CG-CD1 4.45Å; P162-F333 HydrophobicContact CG-CE1 3.58Å; P162-F333 HydrophobicContact CG-CE2 3.85Å; P162-F333 HydrophobicContact CG-CZ 3.25Å
163K55.5Low62.7Low196 Ų19679.3 Ų79.385%0.85243%0.43SS*.SBendtrans-71.1-5.3-170-62.2-178.2178.81800115.7I161I161-K163 PolarHBondContact O-N 3.24Å
164N57.3Low64.3Low109 Ų10975.8 Ų75.858%0.58342%0.415SS*.  trans-139.489.1175.7-167.2-12000112.2P162 C166P162-N164 PolarHBondContact O-N 3.3Å; P162-N164 VanDerWaalsContact O-N 3.12Å; N164-C166 PolarHBondContact O-N 2.83Å; N164-C166 PolarHBondContact OD1-N 3.42Å
165P53.5Low65.8Low79 Ų7980.3 Ų80.351%0.51343%0.428SS..THydrogen-bonded Turntrans-73.1-7.8-179.128.8-33.9000113.9M168P165-M168 WeakPolarHBondContact O-CE 3.42Å
166C58.7Low67Low22 Ų2278.9 Ų78.915%0.14942%0.417CS..THydrogen-bonded Turntrans-90.60.8-170.8-1060000115N164 M168 C181N164-C166 PolarHBondContact O-N 2.83Å; N164-C166 PolarHBondContact OD1-N 3.42Å; C166-M168 PolarHBondContact O-N 3.25Å; C166-C181 HydrophobicContact CB-CB 4.07Å; C166-C181 WeakPolarHBondContact CB-SG 3.27Å; C166-C181 WeakPolarHBondContact SG-CA 3.33Å; C166-C181 WeakPolarHBondContact SG-CB 3.36Å; C166-C181 CovalentContact SG-SG 2.03Å; C166-C181 PolarHBondContact SG-SG 3.44Å
167R63.4Low67.9Low234 Ų23479.3 Ų79.388%0.88341%0.405SS*.  trans-80.261.1-175.9-156.8-179.9-174.3-179.61.3111.9
168M58.3Low68.1Low38 Ų3884.8 Ų84.819%0.18743%0.429CS..  trans-137.4167.1-177.968.6-176.862.500113.5P165 C166 L176 R192 F193P165-M168 WeakPolarHBondContact O-CE 3.42Å; C166-M168 PolarHBondContact O-N 3.25Å; M168-L176 HydrophobicContact CG-CD1 3.97Å; M168-L176 HydrophobicContact SD-CD1 4.46Å; M168-R192 HydrophobicContact SD-CG 4.19Å; M168-F193 HydrophobicContact CB-CD1 4.4Å; M168-F193 HydrophobicContact CB-CE1 3.7Å; M168-F193 HydrophobicContact CG-CE1 4.13Å; M168-F193 HydrophobicContact SD-CD1 4.38Å; M168-F193 HydrophobicContact SD-CE1 3.79Å
169S65.9Low67.6Low93 Ų9391 Ų9165%0.6547%0.468SS*.  trans-126.8138.5179.4-177.70000111.1G171 F193S169-G171 VanDerWaalsContact C-N 3.33Å; S169-G171 PolarHBondContact O-N 2.66Å; S169-F193 WeakPolarHBondContact O-CB 3.44Å; S169-F193 WeakPolarHBondContact O-CD1 3.3Å
170C62.8Low67Low5 Ų593.5 Ų93.53%0.03449%0.486CS..  trans-92.124.3-171.3-58.80000115.3G174 L176 C183 F193C170-G174 VanDerWaalsContact CB-C 3.46Å; C170-G174 VanDerWaalsContact O-CA 3.23Å; C170-G174 WeakPolarHBondContact O-CA 3.48Å; C170-G174 PolarHBondContact O-N 3.36Å; C170-G174 VanDerWaalsContact O-N 3.15Å; C170-L176 WeakPolarHBondContact SG-CA 3.28Å; C170-L176 WeakPolarHBondContact SG-CB 3.48Å; C170-L176 PolarHBondContact SG-N 2.97Å; C170-C183 WeakPolarHBondContact CA-SG 2.98Å; C170-C183 HydrophobicContact CB-CB 3.54Å; C170-C183 WeakPolarHBondContact CB-SG 3.32Å; C170-C183 WeakPolarHBondContact SG-CA 3.42Å; C170-C183 WeakPolarHBondContact SG-CB 3.32Å; C170-C183 CovalentContact SG-SG 1.99Å; C170-C183 PolarHBondContact SG-SG 2.87Å; C170-F193 CarbonylContact C-O 3Å; C170-F193 CarbonylContact O-C 3.56Å
171G71.1Confident66.9Low47 Ų4794 Ų9449%0.48549%0.491SS..  trans59.6-167.6-177.600000113.5S169 H173 F193S169-G171 VanDerWaalsContact C-N 3.33Å; S169-G171 PolarHBondContact O-N 2.66Å; G171-H173 VanDerWaalsContact C-N 3.33Å; G171-F193 PolarHBondContact N-O 2.93Å
172Q77.6Confident67.2Low187 Ų18793 Ų9387%0.87448%0.482SS*.THydrogen-bonded Turntrans-79.5-15.4-179.9-66.6-177.4-0.300113.5
173H78.3Confident67.8Low90 Ų9092.1 Ų92.142%0.41748%0.477SS..THydrogen-bonded Turntrans-113.516.5-173.8-54.4-61.9000113.1G171 G186 F189 C194G171-H173 VanDerWaalsContact C-N 3.33Å; H173-G186 PolarHBondContact O-N 3.36Å; H173-F189 HydrophobicContact CB-CB 4.31Å; H173-F189 HydrophobicContact CB-CD1 4.03Å; H173-F189 HydrophobicContact CB-CD2 4.09Å; H173-F189 HydrophobicContact CB-CE1 4.37Å; H173-F189 HydrophobicContact CB-CE2 4.43Å; H173-F189 HydrophobicContact CB-CG 3.88Å; H173-F189 AromaticContact CD2-CD1 3.87Å; H173-F189 AromaticContact CD2-CE1 3.45Å; H173-F189 VanDerWaalsContact CD2-CE1 3.45Å; H173-F189 WeakPolarHBondContact CD2-CE1 3.25Å; H173-F189 AromaticContact CD2-CZ 3.74Å; H173-F189 AromaticContact CG-CE1 3.86Å; H173-F189 AromaticContact CG-CZ 3.88Å; H173-F189 AromaticContact NE2-CE1 3.91Å; H173-F189 AromaticContact NE2-CZ 3.87Å; H173-C194 HydrophobicContact CB-CB 4.5Å
174G79.3Confident68.9Low18 Ų1890.7 Ų90.719%0.18647%0.471CS..EExtended strand (participates in β ladder)trans-142.4161.4-178.200000113.8C170 K184 C194C170-G174 VanDerWaalsContact CB-C 3.46Å; C170-G174 VanDerWaalsContact O-CA 3.23Å; C170-G174 WeakPolarHBondContact O-CA 3.48Å; C170-G174 PolarHBondContact O-N 3.36Å; C170-G174 VanDerWaalsContact O-N 3.15Å; G174-K184 CarbonylContact C-O 3.59Å; G174-K184 VanDerWaalsContact CA-O 3.23Å; G174-K184 WeakPolarHBondContact CA-O 3.41Å; G174-C194 WeakPolarHBondContact CA-SG 3.23Å
175R85.7Confident69.5Low209 Ų20987.4 Ų87.479%0.78946%0.456SS*.EExtended strand (participates in β ladder)trans-127.8130174.6-65.3-174.1179.9-175.70.6110.4N177 K184R175-N177 PolarHBondContact O-N 2.71Å; R175-K184 PolarHBondContact N-O 3.39Å; R175-K184 PolarHBondContact O-N 3.45Å
176L79.1Confident70.5Confident52 Ų5285.3 Ų85.327%0.27245%0.449SS..EExtended strand (participates in β ladder)trans-72.9123.5179.5-175.161.6000109.7M168 C170 L178M168-L176 HydrophobicContact CG-CD1 3.97Å; M168-L176 HydrophobicContact SD-CD1 4.46Å; C170-L176 WeakPolarHBondContact SG-CA 3.28Å; C170-L176 WeakPolarHBondContact SG-CB 3.48Å; C170-L176 PolarHBondContact SG-N 2.97Å; L176-L178 HydrophobicContact CD2-CD2 3.72Å; L176-L178 HydrophobicContact CG-CD2 4.23Å; L176-L178 PolarHBondContact O-N 3.31Å
177N76.4Confident71.3Confident72 Ų7292.8 Ų92.839%0.38549%0.486SS..EExtended strand (participates in β ladder)trans-85.3106164.6-174.3-29.7000108.1R175 T179 S180 C181 K182R175-N177 PolarHBondContact O-N 2.71Å; N177-T179 PolarHBondContact O-N 2.84Å; N177-T179 WeakPolarHBondContact OD1-CB 3.43Å; N177-T179 PolarHBondContact OD1-N 3.13Å; N177-S180 WeakPolarHBondContact CB-OG 3.25Å; N177-S180 PolarHBondContact O-N 3.28Å; N177-S180 PolarHBondContact OD1-N 3.4Å; N177-C181 VanDerWaalsContact O-CA 3.31Å; N177-C181 WeakPolarHBondContact O-CA 3.45Å; N177-C181 PolarHBondContact O-N 2.77Å; N177-K182 WeakPolarHBondContact CB-O 3.47Å; N177-K182 PolarHBondContact N-O 3.25Å; N177-K182 PolarHBondContact O-N 1.98Å
178L71.9Confident71.4Confident131 Ų13183.6 Ų83.669%0.68647%0.465SS*.THydrogen-bonded Turntrans-67.8-20-178.3-69.5168.9000113.2L176L176-L178 HydrophobicContact CD2-CD2 3.72Å; L176-L178 HydrophobicContact CG-CD2 4.23Å; L176-L178 PolarHBondContact O-N 3.31Å
179T69.4Low71.7Confident140 Ų14084.4 Ų84.486%0.85947%0.467SS*.THydrogen-bonded Turntrans-81.7-34.6178.9-44.50000111.7N177N177-T179 PolarHBondContact O-N 2.84Å; N177-T179 WeakPolarHBondContact OD1-CB 3.43Å; N177-T179 PolarHBondContact OD1-N 3.13Å
180S62.6Low71.2Confident60 Ų6081 Ų8142%0.4244%0.442SS..THydrogen-bonded Turntrans-104.9-3.4179.463.20000114.4N177 K182N177-S180 WeakPolarHBondContact CB-OG 3.25Å; N177-S180 PolarHBondContact O-N 3.28Å; N177-S180 PolarHBondContact OD1-N 3.4Å; S180-K182 PolarHBondContact O-N 3.11Å
181C67.7Low70.5Confident35 Ų3580.9 Ų80.924%0.23644%0.443CS..THydrogen-bonded Turntrans50.333.2-171.9-57.60000114C166 N177C166-C181 HydrophobicContact CB-CB 4.07Å; C166-C181 WeakPolarHBondContact CB-SG 3.27Å; C166-C181 WeakPolarHBondContact SG-CA 3.33Å; C166-C181 WeakPolarHBondContact SG-CB 3.36Å; C166-C181 CovalentContact SG-SG 2.03Å; C166-C181 PolarHBondContact SG-SG 3.44Å; N177-C181 VanDerWaalsContact O-CA 3.31Å; N177-C181 WeakPolarHBondContact O-CA 3.45Å; N177-C181 PolarHBondContact O-N 2.77Å
182K64.9Low69.5Low96 Ų9682 Ų8242%0.41743%0.432SS..EExtended strand (participates in β ladder)trans-121.3149.4179.1-70.9-178.5179.2-174.80111.5N177 S180N177-K182 WeakPolarHBondContact CB-O 3.47Å; N177-K182 PolarHBondContact N-O 3.25Å; N177-K182 PolarHBondContact O-N 1.98Å; S180-K182 PolarHBondContact O-N 3.11Å
183C64.6Low68.5Low21 Ų2176.5 Ų76.514%0.14241%0.406CS..EExtended strand (participates in β ladder)trans-86.3129.8173.2-64.70000111.7C170 R192C170-C183 WeakPolarHBondContact CA-SG 2.98Å; C170-C183 HydrophobicContact CB-CB 3.54Å; C170-C183 WeakPolarHBondContact CB-SG 3.32Å; C170-C183 WeakPolarHBondContact SG-CA 3.42Å; C170-C183 WeakPolarHBondContact SG-CB 3.32Å; C170-C183 CovalentContact SG-SG 1.99Å; C170-C183 PolarHBondContact SG-SG 2.87Å; C183-R192 WeakPolarHBondContact CB-O 3.47Å; C183-R192 PolarHBondContact SG-O 3.31Å
184K79.5Confident67.6Low166 Ų16672.3 Ų72.372%0.72239%0.386SS*.EExtended strand (participates in β ladder)trans-90116.5168.6-172.9175.8-175.6175.20109G174 R175G174-K184 CarbonylContact C-O 3.59Å; G174-K184 VanDerWaalsContact CA-O 3.23Å; G174-K184 WeakPolarHBondContact CA-O 3.41Å; R175-K184 PolarHBondContact N-O 3.39Å; R175-K184 PolarHBondContact O-N 3.45Å
185C68.6Low66.3Low40 Ų4075.5 Ų75.527%0.2740%0.396SS..EExtended strand (participates in β ladder)trans-89.9148.6-175.4-54.10000113.2F189 G191 C194C185-F189 HydrophobicContact CB-CB 4.34Å; C185-F189 WeakPolarHBondContact CB-O 3.11Å; C185-G191 PolarHBondContact SG-O 2.81Å; C185-C194 WeakPolarHBondContact CA-SG 3.48Å; C185-C194 HydrophobicContact CB-CB 3.64Å; C185-C194 WeakPolarHBondContact CB-SG 3.27Å; C185-C194 PolarHBondContact N-SG 3.32Å; C185-C194 VanDerWaalsContact N-SG 3.42Å; C185-C194 WeakPolarHBondContact SG-CA 3.06Å; C185-C194 WeakPolarHBondContact SG-CB 3.04Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.21Å
186G75.3Confident64.6Low35 Ų3566.1 Ų66.136%0.36136%0.362SS..PPolyproline II helixtrans-70.3165.1171.100000112.1H173 G188 F189H173-G186 PolarHBondContact O-N 3.36Å; G186-G188 PolarHBondContact O-N 2.81Å; G186-F189 PolarHBondContact O-N 2.82Å
187L74.4Confident63.9Low179 Ų17972 Ų7294%0.93738%0.381SS*.THydrogen-bonded Turntrans-54.3130.9-178.9-70.1168.7000111.7F189L187-F189 VanDerWaalsContact C-N 3.3Å; L187-F189 WeakPolarHBondContact O-CD2 2.87Å
188G65.9Low63.3Low42 Ų4270 Ų7043%0.43337%0.372SS..THydrogen-bonded Turntrans77.39.9-178.800000114.7G186 R197 C198G186-G188 PolarHBondContact O-N 2.81Å; G188-R197 CarbonylContact O-C 3.57Å; G188-R197 WeakPolarHBondContact O-CA 3.29Å; G188-C198 PolarHBondContact O-N 3.33Å
189F64.4Low62.8Low55 Ų5568.1 Ų68.124%0.24137%0.37CS..EExtended strand (participates in β ladder)trans-125.5143.5174.5-66.5-96.3000112H173 C185 G186 L187 V196 R197H173-F189 HydrophobicContact CB-CB 4.31Å; H173-F189 HydrophobicContact CB-CD1 4.03Å; H173-F189 HydrophobicContact CB-CD2 4.09Å; H173-F189 HydrophobicContact CB-CE1 4.37Å; H173-F189 HydrophobicContact CB-CE2 4.43Å; H173-F189 HydrophobicContact CB-CG 3.88Å; H173-F189 AromaticContact CD2-CD1 3.87Å; H173-F189 AromaticContact CD2-CE1 3.45Å; H173-F189 VanDerWaalsContact CD2-CE1 3.45Å; H173-F189 WeakPolarHBondContact CD2-CE1 3.25Å; H173-F189 AromaticContact CD2-CZ 3.74Å; H173-F189 AromaticContact CG-CE1 3.86Å; H173-F189 AromaticContact CG-CZ 3.88Å; H173-F189 AromaticContact NE2-CE1 3.91Å; H173-F189 AromaticContact NE2-CZ 3.87Å; C185-F189 HydrophobicContact CB-CB 4.34Å; C185-F189 WeakPolarHBondContact CB-O 3.11Å; G186-F189 PolarHBondContact O-N 2.82Å; L187-F189 VanDerWaalsContact C-N 3.3Å; L187-F189 WeakPolarHBondContact O-CD2 2.87Å; F189-V196 CarbonylContact C-O 3.42Å; F189-V196 WeakPolarHBondContact CA-O 3.22Å; F189-R197 HydrophobicContact CD1-CB 4.17Å; F189-R197 HydrophobicContact CE1-CB 3.84Å; F189-R197 HydrophobicContact CE1-CG 4.24Å; F189-R197 HydrophobicContact CZ-CB 4.37Å; F189-R197 HydrophobicContact CZ-CG 4.27Å
190T55.3Low62.6Low20 Ų2063.5 Ų63.512%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-140-170.8172.7-1730000109.3C194 Q195 V196 N338 F341T190-C194 CarbonylContact O-C 3.4Å; T190-C194 WeakPolarHBondContact O-CA 2.88Å; T190-Q195 PolarHBondContact O-N 3.09Å; T190-V196 VanDerWaalsContact C-CG1 3.45Å; T190-V196 HydrophobicContact CG2-CG1 3.57Å; T190-V196 PolarHBondContact N-O 3.17Å; T190-V196 WeakPolarHBondContact O-CB 3.26Å; T190-V196 WeakPolarHBondContact O-CG1 3.42Å; T190-V196 PolarHBondContact O-N 2.83Å; T190-N338 PolarHBondContact OG1-ND2 2.96Å; T190-F341 HydrophobicContact CG2-CB 4.07Å; T190-F341 HydrophobicContact CG2-CD1 3.3Å; T190-F341 HydrophobicContact CG2-CE1 3.97Å; T190-F341 HydrophobicContact CG2-CG 4.13Å
191G47.7Very low63.1Low4 Ų467.6 Ų67.64%0.04135%0.351CS..SBendtrans101.5153.1-172.600000112.6C185 F193 C194 N338C185-G191 PolarHBondContact SG-O 2.81Å; G191-F193 PolarHBondContact O-N 3.08Å; G191-F193 VanDerWaalsContact O-N 3.09Å; G191-C194 PolarHBondContact O-N 3.49Å; G191-N338 VanDerWaalsContact CA-CG 3.4Å; G191-N338 WeakPolarHBondContact CA-ND2 3.23Å; G191-N338 PolarHBondContact N-ND2 2.96Å; G191-N338 VanDerWaalsContact N-ND2 3.11Å
192R51.4Low63.2Low70 Ų7067.2 Ų67.226%0.26435%0.349SS..THydrogen-bonded Turntrans-58.3-25.2178.6176.6-168.1-168156.79.5112.9M168 C183 G334 D337 N338M168-R192 HydrophobicContact SD-CG 4.19Å; C183-R192 WeakPolarHBondContact CB-O 3.47Å; C183-R192 PolarHBondContact SG-O 3.31Å; R192-G334 PolarHBondContact NH1-O 2.9Å; R192-D337 WeakPolarHBondContact CB-O 3.48Å; R192-D337 WeakPolarHBondContact CD-O 3.2Å; R192-N338 HydrophobicContact CB-CB 4.36Å
193F56.9Low63.9Low72 Ų7268.5 Ų68.532%0.31636%0.355SS..THydrogen-bonded Turntrans-119.220.2177.5-47.7-54.1000112.2M168 S169 C170 G171 G191 Q195M168-F193 HydrophobicContact CB-CD1 4.4Å; M168-F193 HydrophobicContact CB-CE1 3.7Å; M168-F193 HydrophobicContact CG-CE1 4.13Å; M168-F193 HydrophobicContact SD-CD1 4.38Å; M168-F193 HydrophobicContact SD-CE1 3.79Å; S169-F193 WeakPolarHBondContact O-CB 3.44Å; S169-F193 WeakPolarHBondContact O-CD1 3.3Å; C170-F193 CarbonylContact C-O 3Å; C170-F193 CarbonylContact O-C 3.56Å; G171-F193 PolarHBondContact N-O 2.93Å; G191-F193 PolarHBondContact O-N 3.08Å; G191-F193 VanDerWaalsContact O-N 3.09Å; F193-Q195 VanDerWaalsContact CA-OE1 3.25Å; F193-Q195 PolarHBondContact O-N 2.74Å; F193-Q195 VanDerWaalsContact O-N 3.12Å
194C57.8Low64.2Low1 Ų171.1 Ų71.11%0.00737%0.365CS..SBendtrans52.334.8-179.5-52.60000114.3H173 G174 C185 T190 G191 V196H173-C194 HydrophobicContact CB-CB 4.5Å; G174-C194 WeakPolarHBondContact CA-SG 3.23Å; C185-C194 WeakPolarHBondContact CA-SG 3.48Å; C185-C194 HydrophobicContact CB-CB 3.64Å; C185-C194 WeakPolarHBondContact CB-SG 3.27Å; C185-C194 PolarHBondContact N-SG 3.32Å; C185-C194 VanDerWaalsContact N-SG 3.42Å; C185-C194 WeakPolarHBondContact SG-CA 3.06Å; C185-C194 WeakPolarHBondContact SG-CB 3.04Å; C185-C194 CovalentContact SG-SG 2.04Å; C185-C194 PolarHBondContact SG-SG 3.21Å; T190-C194 CarbonylContact O-C 3.4Å; T190-C194 WeakPolarHBondContact O-CA 2.88Å; G191-C194 PolarHBondContact O-N 3.49Å; C194-V196 VanDerWaalsContact C-N 3.31Å; C194-V196 PolarHBondContact O-N 2.96Å
195Q52.3Low63.8Low85 Ų8564.3 Ų64.340%0.39734%0.341SS..  trans-90.77.1-168.570.8-80.620.900113.7T190 F193T190-Q195 PolarHBondContact O-N 3.09Å; F193-Q195 VanDerWaalsContact CA-OE1 3.25Å; F193-Q195 PolarHBondContact O-N 2.74Å; F193-Q195 VanDerWaalsContact O-N 3.12Å
196V50.7Low64.1Low12 Ų1272 Ų727%0.07337%0.365CS..EExtended strand (participates in β ladder)trans-144.1110-146.3126.30000108.3F189 T190 C194 F341F189-V196 CarbonylContact C-O 3.42Å; F189-V196 WeakPolarHBondContact CA-O 3.22Å; T190-V196 VanDerWaalsContact C-CG1 3.45Å; T190-V196 HydrophobicContact CG2-CG1 3.57Å; T190-V196 PolarHBondContact N-O 3.17Å; T190-V196 WeakPolarHBondContact O-CB 3.26Å; T190-V196 WeakPolarHBondContact O-CG1 3.42Å; T190-V196 PolarHBondContact O-N 2.83Å; C194-V196 VanDerWaalsContact C-N 3.31Å; C194-V196 PolarHBondContact O-N 2.96Å; V196-F341 HydrophobicContact CB-CD1 4.19Å; V196-F341 HydrophobicContact CB-CD2 4.38Å; V196-F341 HydrophobicContact CB-CE1 3.76Å; V196-F341 HydrophobicContact CB-CE2 3.96Å; V196-F341 HydrophobicContact CB-CG 4.4Å; V196-F341 HydrophobicContact CB-CZ 3.59Å; V196-F341 HydrophobicContact CG1-CB 3.89Å; V196-F341 HydrophobicContact CG1-CD1 3Å; V196-F341 HydrophobicContact CG1-CD2 3.6Å; V196-F341 HydrophobicContact CG1-CE1 3Å; V196-F341 HydrophobicContact CG1-CE2 3.6Å; V196-F341 HydrophobicContact CG1-CG 3.23Å; V196-F341 HydrophobicContact CG1-CZ 3.28Å; V196-F341 HydrophobicContact CG2-CD2 4.08Å; V196-F341 HydrophobicContact CG2-CE1 4.39Å; V196-F341 HydrophobicContact CG2-CE2 3.66Å; V196-F341 HydrophobicContact CG2-CZ 3.8Å; V196-F341 WeakPolarHBondContact O-CE1 3.35Å
197R63.3Low63.8Low177 Ų17773.4 Ų73.467%0.66836%0.361SS*.EExtended strand (participates in β ladder)trans-90.8124.4-170.3-174.5-179.2-180-179.4-0.1113.5G188 F189 S199 F341G188-R197 CarbonylContact O-C 3.57Å; G188-R197 WeakPolarHBondContact O-CA 3.29Å; F189-R197 HydrophobicContact CD1-CB 4.17Å; F189-R197 HydrophobicContact CE1-CB 3.84Å; F189-R197 HydrophobicContact CE1-CG 4.24Å; F189-R197 HydrophobicContact CZ-CB 4.37Å; F189-R197 HydrophobicContact CZ-CG 4.27Å; R197-S199 PolarHBondContact O-N 3.21Å; R197-F341 VanDerWaalsContact O-CE1 3.26Å; R197-F341 WeakPolarHBondContact O-CE1 3.22Å; R197-F341 WeakPolarHBondContact O-CZ 3.49Å
198C63.6Low62.9Low28 Ų2868 Ų6819%0.18933%0.331CS..  trans-85.3103.3179-67.20000112G188 C212G188-C198 PolarHBondContact O-N 3.33Å; C198-C212 HydrophobicContact CB-CB 3.87Å; C198-C212 WeakPolarHBondContact CB-SG 3.38Å; C198-C212 WeakPolarHBondContact SG-CB 3.4Å; C198-C212 CovalentContact SG-SG 2.03Å; C198-C212 PolarHBondContact SG-SG 2.84Å
199S63.1Low62.2Low92 Ų9273.8 Ų73.864%0.64335%0.347SS*.  trans-157.284.6172590000110.9R197R197-S199 PolarHBondContact O-N 3.21Å
200M65.6Low61.3Low43 Ų4376.9 Ų76.921%0.21236%0.362CS..  trans-125.7153.6178.259.6-174.1-73.900111.7F207 C212 A223 E224M200-F207 HydrophobicContact CG-CD2 3.93Å; M200-F207 HydrophobicContact CG-CE2 3.39Å; M200-F207 HydrophobicContact CG-CZ 4.26Å; M200-F207 HydrophobicContact SD-CE2 4.21Å; M200-C212 VanDerWaalsContact SD-O 3.33Å; M200-A223 WeakPolarHBondContact CE-O 3.35Å; M200-E224 HydrophobicContact CE-CG 4Å
201Q71.9Confident60.9Low146 Ų14676.9 Ų76.968%0.68236%0.361SS*.  trans-104.1135.3-180-78.9177.3-21.900110.7E224Q201-E224 WeakPolarHBondContact O-CB 3.32Å; Q201-E224 WeakPolarHBondContact O-CG 3.37Å
202C70Confident61.4Low28 Ų2878 Ų7819%0.18937%0.368CS..  trans-103.6122.7174.4-51.50000109.4F207 C214C202-F207 WeakPolarHBondContact SG-CA 3.48Å; C202-F207 VanDerWaalsContact SG-CB 3.52Å; C202-F207 PolarHBondContact SG-N 2.81Å; C202-C214 WeakPolarHBondContact CA-SG 3.45Å; C202-C214 HydrophobicContact CB-CB 3.79Å; C202-C214 WeakPolarHBondContact CB-SG 3.36Å; C202-C214 WeakPolarHBondContact SG-CA 3.06Å; C202-C214 WeakPolarHBondContact SG-CB 3.42Å; C202-C214 CovalentContact SG-SG 2.01Å; C202-C214 PolarHBondContact SG-SG 2.79Å
203F79Confident61.8Low123 Ų12375.1 Ų75.154%0.53936%0.358SS..SBendtrans-86-55.1-175.5-72.5-94.3000112.4E224 T226F203-E224 HydrophobicContact CD2-CB 4.16Å; F203-E224 HydrophobicContact CE2-CB 4.47Å; F203-E224 PolarHBondContact N-O 2.93Å; F203-T226 HydrophobicContact CB-CG2 3.96Å; F203-T226 HydrophobicContact CD2-CG2 3.27Å; F203-T226 HydrophobicContact CE2-CG2 3.85Å; F203-T226 HydrophobicContact CG-CG2 3.72Å
204H72.1Confident61.7Low75 Ų7571.9 Ų71.935%0.34734%0.344SS..SBendtrans-114.765174.8-62.7-67.6000110.5C216 D217 Y220 C225H204-C216 CarbonylContact O-C 3.37Å; H204-C216 WeakPolarHBondContact O-CA 3.18Å; H204-D217 VanDerWaalsContact C-OD2 3.23Å; H204-D217 PolarHBondContact O-N 3.32Å; H204-Y220 HydrophobicContact CB-CD1 3.95Å; H204-Y220 HydrophobicContact CB-CD2 3.89Å; H204-Y220 HydrophobicContact CB-CE1 4.44Å; H204-Y220 HydrophobicContact CB-CE2 4.39Å; H204-Y220 HydrophobicContact CB-CG 3.64Å; H204-Y220 AromaticContact CD2-CD1 3.41Å; H204-Y220 VanDerWaalsContact CD2-CD1 3.41Å; H204-Y220 WeakPolarHBondContact CD2-CD1 3.21Å; H204-Y220 AromaticContact CD2-CE1 3.34Å; H204-Y220 WeakPolarHBondContact CD2-CE1 3.42Å; H204-Y220 AromaticContact CD2-CZ 3.93Å; H204-Y220 AromaticContact CG-CD1 3.77Å; H204-Y220 AromaticContact CG-CE1 3.82Å; H204-Y220 AromaticContact CG-CG 3.93Å; H204-Y220 AromaticContact NE2-CE1 3.67Å; H204-C225 HydrophobicContact CB-CB 4.27Å; H204-C225 WeakPolarHBondContact CB-O 3.32Å; H204-C225 PolarHBondContact CD2-O 3.44Å; H204-C225 PolarHBondContact N-O 3.1Å; H204-C225 WeakPolarHBondContact O-CB 3.38Å
205G71.1Confident61.8Low23 Ų2375.6 Ų75.624%0.23737%0.367CS..EExtended strand (participates in β ladder)trans173.6-177.6-177.700000113.3V215 D217G205-V215 CarbonylContact C-O 3.51Å; G205-V215 WeakPolarHBondContact CA-O 3.3Å; G205-D217 PolarHBondContact N-OD2 3.22Å
206R74.6Confident61.8Low202 Ų20273.3 Ų73.376%0.76236%0.36SS*.EExtended strand (participates in β ladder)trans-107.4135.3177175.3-179.3-88.8-120.81.2110.3V215R206-V215 PolarHBondContact N-O 3.4Å; R206-V215 PolarHBondContact O-N 2.9Å
207F68.1Low62.1Low64 Ų6477.2 Ų77.228%0.28138%0.38SS..EExtended strand (participates in β ladder)trans-75.7130.9170.6-175.3-119.3000110.6M200 C202 E209 S213M200-F207 HydrophobicContact CG-CD2 3.93Å; M200-F207 HydrophobicContact CG-CE2 3.39Å; M200-F207 HydrophobicContact CG-CZ 4.26Å; M200-F207 HydrophobicContact SD-CE2 4.21Å; C202-F207 WeakPolarHBondContact SG-CA 3.48Å; C202-F207 VanDerWaalsContact SG-CB 3.52Å; C202-F207 PolarHBondContact SG-N 2.81Å; F207-E209 HydrophobicContact CD1-CG 3.89Å; F207-E209 HydrophobicContact CE1-CB 4.36Å; F207-E209 HydrophobicContact CE1-CG 3.74Å; F207-S213 VanDerWaalsContact CD2-O 3.26Å; F207-S213 WeakPolarHBondContact CD2-O 3.07Å
208E56.8Low61.2Low67 Ų6776 Ų7631%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-106.1101.3175-170.2163.5-132.100109E210 E211 C212 S213E208-E210 HydrophobicContact CG-CB 4.43Å; E208-E210 PolarHBondContact O-N 2.9Å; E208-E211 HydrophobicContact CB-CB 4.42Å; E208-E211 HydrophobicContact CG-CB 4.15Å; E208-E211 HydrophobicContact CG-CG 4.05Å; E208-E211 PolarHBondContact O-N 3.28Å; E208-E211 VanDerWaalsContact O-N 3.15Å; E208-E211 WeakPolarHBondContact OE2-CG 3.43Å; E208-C212 WeakPolarHBondContact O-CA 3.39Å; E208-C212 PolarHBondContact O-N 2.96Å; E208-S213 PolarHBondContact N-O 2.89Å; E208-S213 PolarHBondContact O-N 2.86Å
209E49.9Very low60.4Low162 Ų16276.5 Ų76.576%0.75740%0.402SS*.THydrogen-bonded Turntrans-58.5-32.1-176.5-73.5-175.717100112.8F207F207-E209 HydrophobicContact CD1-CG 3.89Å; F207-E209 HydrophobicContact CE1-CB 4.36Å; F207-E209 HydrophobicContact CE1-CG 3.74Å
210E46.3Very low59.8Low120 Ų12075.1 Ų75.156%0.56138%0.383SS*.THydrogen-bonded Turntrans-71.2-30.4-179.4-77.9-172.5177.200113.4E208 P313 P314E208-E210 HydrophobicContact CG-CB 4.43Å; E208-E210 PolarHBondContact O-N 2.9Å; E210-P313 VanDerWaalsContact O-CB 3.31Å; E210-P313 WeakPolarHBondContact O-CB 3.42Å; E210-P313 WeakPolarHBondContact O-CD 3.44Å; E210-P313 WeakPolarHBondContact O-CG 3.43Å; E210-P314 HydrophobicContact CB-CG 3.48Å; E210-P314 VanDerWaalsContact CB-CG 3.48Å; E210-P314 HydrophobicContact CG-CG 3.67Å; E210-P314 WeakPolarHBondContact OE2-CG 3.37Å
211E46.8Very low59.2Low21 Ų2173.4 Ų73.410%0.09838%0.377CS..THydrogen-bonded Turntrans-108.2-4.6-177.4-61.4-166.1-175.700112.6E208 S213 K312 N343E208-E211 HydrophobicContact CB-CB 4.42Å; E208-E211 HydrophobicContact CG-CB 4.15Å; E208-E211 HydrophobicContact CG-CG 4.05Å; E208-E211 PolarHBondContact O-N 3.28Å; E208-E211 VanDerWaalsContact O-N 3.15Å; E208-E211 WeakPolarHBondContact OE2-CG 3.43Å; E211-S213 WeakPolarHBondContact CB-OG 3.42Å; E211-S213 PolarHBondContact O-N 2.97Å; E211-K312 WeakPolarHBondContact OE1-CD 2.96Å; E211-K312 WeakPolarHBondContact OE1-CE 3.44Å; E211-K312 IonicContact OE1-NZ 3.25Å; E211-K312 PolarHBondContact OE1-NZ 3.27Å; E211-K312 IonicContact OE2-NZ 3.57Å; E211-K312 PolarHBondContact OE2-NZ 2.87Å; E211-N343 PolarHBondContact O-ND2 2.87Å
212C59.2Low58.2Low28 Ų2866.5 Ų66.519%0.18935%0.345CS..THydrogen-bonded Turntrans44.248.3-170.1-57.70000111.8C198 M200 E208C198-C212 HydrophobicContact CB-CB 3.87Å; C198-C212 WeakPolarHBondContact CB-SG 3.38Å; C198-C212 WeakPolarHBondContact SG-CB 3.4Å; C198-C212 CovalentContact SG-SG 2.03Å; C198-C212 PolarHBondContact SG-SG 2.84Å; M200-C212 VanDerWaalsContact SD-O 3.33Å; E208-C212 WeakPolarHBondContact O-CA 3.39Å; E208-C212 PolarHBondContact O-N 2.96Å
213S58.6Low57.2Low8 Ų866.1 Ų66.16%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-140166.8-173.5720000111.5F207 E208 E211 Y255F207-S213 VanDerWaalsContact CD2-O 3.26Å; F207-S213 WeakPolarHBondContact CD2-O 3.07Å; E208-S213 PolarHBondContact N-O 2.89Å; E208-S213 PolarHBondContact O-N 2.86Å; E211-S213 WeakPolarHBondContact CB-OG 3.42Å; E211-S213 PolarHBondContact O-N 2.97Å; S213-Y255 WeakPolarHBondContact CB-OH 3.43Å; S213-Y255 PolarHBondContact OG-OH 3.21Å
214C55.8Low56.6Low4 Ų463.4 Ų63.43%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-106.6131173.3-65.40000110.7C202 A223 C225C202-C214 WeakPolarHBondContact CA-SG 3.45Å; C202-C214 HydrophobicContact CB-CB 3.79Å; C202-C214 WeakPolarHBondContact CB-SG 3.36Å; C202-C214 WeakPolarHBondContact SG-CA 3.06Å; C202-C214 WeakPolarHBondContact SG-CB 3.42Å; C202-C214 CovalentContact SG-SG 2.01Å; C202-C214 PolarHBondContact SG-SG 2.79Å; C214-A223 WeakPolarHBondContact CB-O 3.35Å; C214-A223 PolarHBondContact SG-O 2.94Å; C214-C225 WeakPolarHBondContact CB-SG 3.44Å
215V59.3Low56Low79 Ų7959.9 Ų59.948%0.47932%0.316SS..EExtended strand (participates in β ladder)trans-91.9110167.5-178.10000107.9G205 R206G205-V215 CarbonylContact C-O 3.51Å; G205-V215 WeakPolarHBondContact CA-O 3.3Å; R206-V215 PolarHBondContact N-O 3.4Å; R206-V215 PolarHBondContact O-N 2.9Å
216C52.4Low55.7Low38 Ų3862.3 Ų62.326%0.25733%0.326SS..EExtended strand (participates in β ladder)trans-83.2145.1-172.9-54.10000113.7H204 Y220 G222 C225H204-C216 CarbonylContact O-C 3.37Å; H204-C216 WeakPolarHBondContact O-CA 3.18Å; C216-Y220 WeakPolarHBondContact CB-O 3.31Å; C216-G222 PolarHBondContact SG-O 3.24Å; C216-G222 VanDerWaalsContact SG-O 3.41Å; C216-C225 WeakPolarHBondContact CA-SG 3.49Å; C216-C225 HydrophobicContact CB-CB 3.63Å; C216-C225 WeakPolarHBondContact CB-SG 3.33Å; C216-C225 WeakPolarHBondContact SG-CA 2.94Å; C216-C225 WeakPolarHBondContact SG-CB 3.23Å; C216-C225 CovalentContact SG-SG 2.03Å; C216-C225 PolarHBondContact SG-SG 3.28Å
217D56Low55Low93 Ų9356.6 Ų56.650%0.49731%0.308SS..PPolyproline II helixtrans-66.6153.7170.6-63-35.4000111H204 G205 G219 Y220H204-D217 VanDerWaalsContact C-OD2 3.23Å; H204-D217 PolarHBondContact O-N 3.32Å; G205-D217 PolarHBondContact N-OD2 3.22Å; D217-G219 PolarHBondContact O-N 3.2Å; D217-Y220 PolarHBondContact O-N 3.43Å
218V46Very low54.3Low153 Ų15361.4 Ų61.493%0.92733%0.329SS*.THydrogen-bonded Turntrans-57.4125.7-177.6179.50000111.1
219G46Very low53.8Low38 Ų3860.1 Ų60.139%0.39233%0.326SS..THydrogen-bonded Turntrans98.1-7.9-179.800000114.4D217 V229D217-G219 PolarHBondContact O-N 3.2Å; G219-V229 PolarHBondContact O-N 2.69Å
220Y50.3Low53.4Low62 Ų6261.2 Ų61.224%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-115.4149.9175.9-63.7-91.4000111.3H204 C216 D217 E227 K228H204-Y220 HydrophobicContact CB-CD1 3.95Å; H204-Y220 HydrophobicContact CB-CD2 3.89Å; H204-Y220 HydrophobicContact CB-CE1 4.44Å; H204-Y220 HydrophobicContact CB-CE2 4.39Å; H204-Y220 HydrophobicContact CB-CG 3.64Å; H204-Y220 AromaticContact CD2-CD1 3.41Å; H204-Y220 VanDerWaalsContact CD2-CD1 3.41Å; H204-Y220 WeakPolarHBondContact CD2-CD1 3.21Å; H204-Y220 AromaticContact CD2-CE1 3.34Å; H204-Y220 WeakPolarHBondContact CD2-CE1 3.42Å; H204-Y220 AromaticContact CD2-CZ 3.93Å; H204-Y220 AromaticContact CG-CD1 3.77Å; H204-Y220 AromaticContact CG-CE1 3.82Å; H204-Y220 AromaticContact CG-CG 3.93Å; H204-Y220 AromaticContact NE2-CE1 3.67Å; C216-Y220 WeakPolarHBondContact CB-O 3.31Å; D217-Y220 PolarHBondContact O-N 3.43Å; Y220-E227 CarbonylContact C-O 3.53Å; Y220-E227 VanDerWaalsContact CA-O 3.23Å; Y220-E227 WeakPolarHBondContact CA-O 3.49Å; Y220-K228 HydrophobicContact CD1-CG 3.94Å; Y220-K228 HydrophobicContact CE1-CD 4.23Å; Y220-K228 HydrophobicContact CE1-CG 3.52Å; Y220-K228 WeakPolarHBondContact OH-CE 3.44Å
221G53Low53.2Low7 Ų761.2 Ų61.27%0.07233%0.334CS..EExtended strand (participates in β ladder)trans-149.3-172.6-179.500000112.1C225 T226 E227G221-C225 CarbonylContact O-C 3.46Å; G221-C225 WeakPolarHBondContact O-CA 3.28Å; G221-T226 PolarHBondContact O-N 3.49Å; G221-E227 PolarHBondContact N-O 2.9Å; G221-E227 WeakPolarHBondContact O-CB 3.49Å; G221-E227 PolarHBondContact O-N 3.29Å
222G51.2Low53.3Low2 Ų264.3 Ų64.32%0.02136%0.356CS..SBendtrans82167.5-171.400000112C216 E224 C225C216-G222 PolarHBondContact SG-O 3.24Å; C216-G222 VanDerWaalsContact SG-O 3.41Å; G222-E224 VanDerWaalsContact C-N 3.28Å; G222-E224 PolarHBondContact O-N 3.42Å; G222-C225 PolarHBondContact O-N 3.08Å; G222-C225 VanDerWaalsContact O-N 3.14Å
223A49.7Very low52.5Low19 Ų1969.3 Ų69.316%0.15738%0.375CS..THydrogen-bonded Turntrans-72.7-17.5-166.500000115.6M200 C214 K361M200-A223 WeakPolarHBondContact CE-O 3.35Å; C214-A223 WeakPolarHBondContact CB-O 3.35Å; C214-A223 PolarHBondContact SG-O 2.94Å; A223-K361 HydrophobicContact CB-CB 3.98Å; A223-K361 HydrophobicContact CB-CD 3.2Å; A223-K361 HydrophobicContact CB-CG 3.25Å
224E65Low52Low67 Ų6775.2 Ų75.231%0.31340%0.401SS..THydrogen-bonded Turntrans-114.28.6174.9-67.2175.5-164.200111.4M200 Q201 F203 G222 T226 K361M200-E224 HydrophobicContact CE-CG 4Å; Q201-E224 WeakPolarHBondContact O-CB 3.32Å; Q201-E224 WeakPolarHBondContact O-CG 3.37Å; F203-E224 HydrophobicContact CD2-CB 4.16Å; F203-E224 HydrophobicContact CE2-CB 4.47Å; F203-E224 PolarHBondContact N-O 2.93Å; G222-E224 VanDerWaalsContact C-N 3.28Å; G222-E224 PolarHBondContact O-N 3.42Å; E224-T226 HydrophobicContact CB-CG2 4.18Å; E224-T226 PolarHBondContact O-N 3.44Å; E224-K361 IonicContact OE1-NZ 2.81Å; E224-K361 PolarHBondContact OE1-NZ 3.22Å
225C60.7Low52.1Low0 Ų077.7 Ų77.70%042%0.419CS..SBendtrans59.441.3-178.5-48.60000114H204 C214 C216 G221 G222H204-C225 HydrophobicContact CB-CB 4.27Å; H204-C225 WeakPolarHBondContact CB-O 3.32Å; H204-C225 PolarHBondContact CD2-O 3.44Å; H204-C225 PolarHBondContact N-O 3.1Å; H204-C225 WeakPolarHBondContact O-CB 3.38Å; C214-C225 WeakPolarHBondContact CB-SG 3.44Å; C216-C225 WeakPolarHBondContact CA-SG 3.49Å; C216-C225 HydrophobicContact CB-CB 3.63Å; C216-C225 WeakPolarHBondContact CB-SG 3.33Å; C216-C225 WeakPolarHBondContact SG-CA 2.94Å; C216-C225 WeakPolarHBondContact SG-CB 3.23Å; C216-C225 CovalentContact SG-SG 2.03Å; C216-C225 PolarHBondContact SG-SG 3.28Å; G221-C225 CarbonylContact O-C 3.46Å; G221-C225 WeakPolarHBondContact O-CA 3.28Å; G222-C225 PolarHBondContact O-N 3.08Å; G222-C225 VanDerWaalsContact O-N 3.14Å
226T64.4Low52.7Low74 Ų7477.1 Ų77.145%0.45442%0.417SS..  trans-99.4-15.1-178.5510000113.4F203 G221 E224F203-T226 HydrophobicContact CB-CG2 3.96Å; F203-T226 HydrophobicContact CD2-CG2 3.27Å; F203-T226 HydrophobicContact CE2-CG2 3.85Å; F203-T226 HydrophobicContact CG-CG2 3.72Å; G221-T226 PolarHBondContact O-N 3.49Å; E224-T226 HydrophobicContact CB-CG2 4.18Å; E224-T226 PolarHBondContact O-N 3.44Å
227E59.4Low53.6Low82 Ų8281 Ų8138%0.38343%0.428SS..EExtended strand (participates in β ladder)trans-96.8129.1-170.3-59.9176.4-151.100111.6Y220 G221 R363Y220-E227 CarbonylContact C-O 3.53Å; Y220-E227 VanDerWaalsContact CA-O 3.23Å; Y220-E227 WeakPolarHBondContact CA-O 3.49Å; G221-E227 PolarHBondContact N-O 2.9Å; G221-E227 WeakPolarHBondContact O-CB 3.49Å; G221-E227 PolarHBondContact O-N 3.29Å; E227-R363 IonicContact OE2-NH1 2.76Å
228K52.8Low54.9Low165 Ų16576.9 Ų76.972%0.71741%0.405SS*.EExtended strand (participates in β ladder)trans-87.8133.9170.3-76.4-175176.4-1800110.4Y220Y220-K228 HydrophobicContact CD1-CG 3.94Å; Y220-K228 HydrophobicContact CE1-CD 4.23Å; Y220-K228 HydrophobicContact CE1-CG 3.52Å; Y220-K228 WeakPolarHBondContact OH-CE 3.44Å
229V46.2Very low56.6Low40 Ų4072.1 Ų72.124%0.24238%0.377CS..  trans-116.3130.5-167-168.50000113.7G219G219-V229 PolarHBondContact O-N 2.69Å
230Q41.5Very low58.5Low185 Ų18570.7 Ų70.786%0.86436%0.36SS*.  trans-121.1162.2175.1-71.2-176-14.800113.4
231L43.1Very low60.1Low120 Ų12073.3 Ų73.363%0.62838%0.378SS*.  trans-122167.6-158.8-75.1157.8000115.1K263L231-K263 HydrophobicContact CD1-CD 4.36Å; L231-K263 HydrophobicContact CD2-CD 4.01Å; L231-K263 HydrophobicContact CG-CD 4.47Å
232P49.3Very low61.4Low86 Ų8674.4 Ų74.456%0.55839%0.39SS*.  cis-141.6-178.25.941.6-20.4000120
233F42.7Very low63Low133 Ų13375.6 Ų75.658%0.58340%0.397SS*.  trans-151.4135.8166.9-69.9-77.5000115S249 E250F233-S249 WeakPolarHBondContact CE1-OG 3.37Å; F233-S249 WeakPolarHBondContact CZ-OG 3.21Å; F233-E250 HydrophobicContact CD2-CG 4.48Å; F233-E250 HydrophobicContact CE2-CB 4.43Å; F233-E250 HydrophobicContact CE2-CG 4.08Å
234H47.5Very low64.7Low132 Ų13274.9 Ų74.961%0.61139%0.391SS*.  trans-147.6115.3-175.4-44-45.5000117.3
235S57.4Low65.7Low57 Ų5772 Ų7240%0.39938%0.377SS..  trans-176.8141.5148.454.30000112.6Y237 M246S235-Y237 PolarHBondContact O-N 3.3Å; S235-M246 VanDerWaalsContact C-SD 3.52Å; S235-M246 WeakPolarHBondContact O-CG 3.2Å
236C72Confident66.8Low66 Ų6673.3 Ų73.345%0.44638%0.384SS..  trans-71124.1177-170.30000111.5C244C236-C244 WeakPolarHBondContact CA-SG 3.5Å; C236-C244 HydrophobicContact CB-CB 4.28Å; C236-C244 WeakPolarHBondContact CB-SG 3.46Å; C236-C244 WeakPolarHBondContact SG-CB 3.42Å; C236-C244 CovalentContact SG-SG 2.02Å; C236-C244 PolarHBondContact SG-SG 3.1Å
237Y71.3Confident67.6Low120 Ų12070.5 Ų70.547%0.47137%0.366SS..  trans-99.9-36.8-175.2-71.8-62000114.1S235 F245 M246 Y285S235-Y237 PolarHBondContact O-N 3.3Å; Y237-F245 PolarHBondContact N-O 3.08Å; Y237-M246 HydrophobicContact CD2-CB 4.29Å; Y237-Y285 WeakPolarHBondContact CB-OH 3.46Å
238L82.3Confident68.6Low6 Ų667.3 Ų67.33%0.03135%0.353CS..EExtended strand (participates in β ladder)trans-144.7134.1-173.7174.668.4000109.6T132 I240 C244 F245 I281 L282 Y285T132-L238 VanDerWaalsContact OG1-CD1 3.23Å; T132-L238 WeakPolarHBondContact OG1-CD1 3.45Å; L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CD2-CG1 4.3Å; L238-I240 HydrophobicContact CG-CD1 4.4Å; L238-I240 HydrophobicContact CG-CG1 4.13Å; L238-C244 CarbonylContact O-C 3.45Å; L238-C244 WeakPolarHBondContact O-CA 3.16Å; L238-F245 HydrophobicContact CB-CB 4.34Å; L238-F245 PolarHBondContact N-O 2.93Å; L238-F245 PolarHBondContact O-N 3.25Å; L238-I281 HydrophobicContact CD1-CG2 3.96Å; L238-I281 HydrophobicContact CD2-CG2 4.13Å; L238-L282 HydrophobicContact CD2-CD2 3.75Å; L238-L282 HydrophobicContact CD2-CG 4.5Å; L238-Y285 HydrophobicContact CD2-CD1 4.28Å; L238-Y285 HydrophobicContact CD2-CG 4.1Å
239T83.8Confident69.4Low54 Ų5461.4 Ų61.433%0.33133%0.332SS..EExtended strand (participates in β ladder)trans-118128175.9-520000109.9T243T239-T243 CarbonylContact C-O 3.6Å; T239-T243 VanDerWaalsContact CA-O 3.3Å; T239-T243 WeakPolarHBondContact CA-O 3.24Å
240I84.2Confident70.6Confident7 Ų762 Ų624%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-128.8119176.2-48.6172.5000107.6L238 G242 T243 F245 V278 I281 L282L238-I240 HydrophobicContact CD2-CD1 4.01Å; L238-I240 HydrophobicContact CD2-CG1 4.3Å; L238-I240 HydrophobicContact CG-CD1 4.4Å; L238-I240 HydrophobicContact CG-CG1 4.13Å; I240-G242 PolarHBondContact O-N 3.07Å; I240-G242 VanDerWaalsContact O-N 3.14Å; I240-T243 PolarHBondContact N-O 3.18Å; I240-T243 WeakPolarHBondContact O-CB 3.38Å; I240-T243 PolarHBondContact O-N 3.36Å; I240-F245 HydrophobicContact CB-CD2 4.4Å; I240-F245 HydrophobicContact CB-CE2 3.9Å; I240-F245 HydrophobicContact CD1-CD2 4.04Å; I240-F245 HydrophobicContact CD1-CE2 3.89Å; I240-F245 HydrophobicContact CG1-CD2 4.09Å; I240-F245 HydrophobicContact CG1-CE2 4Å; I240-V278 HydrophobicContact CD1-CG1 4.19Å; I240-V278 HydrophobicContact CG2-CG2 4.18Å; I240-I281 HydrophobicContact CD1-CB 3.86Å; I240-I281 HydrophobicContact CD1-CD1 4.43Å; I240-I281 HydrophobicContact CD1-CG2 3.7Å; I240-I281 HydrophobicContact CG1-CB 4.46Å; I240-I281 HydrophobicContact CG1-CD1 4.4Å; I240-I281 HydrophobicContact CG1-CG2 3.94Å; I240-I281 HydrophobicContact CG2-CD1 3.94Å; I240-L282 HydrophobicContact CD1-CG 4.3Å
241D84.3Confident72.4Confident117 Ų11754.6 Ų54.663%0.62630%0.303SS*.THydrogen-bonded Turntrans51.338.4-179.4-59.2-30.4000113.3T243 K277D241-T243 PolarHBondContact O-N 3.46Å; D241-K277 IonicContact OD1-NZ 3.7Å; D241-K277 PolarHBondContact OD1-NZ 3.26Å; D241-K277 IonicContact OD2-NZ 2.92Å; D241-K277 PolarHBondContact OD2-NZ 3.3Å
242G79.6Confident74Confident31 Ų3149 Ų4932%0.3227%0.274SS..THydrogen-bonded Turntrans81.1-11.1-178.400000115.1I240 P372I240-G242 PolarHBondContact O-N 3.07Å; I240-G242 VanDerWaalsContact O-N 3.14Å; G242-P372 WeakPolarHBondContact O-CD 3.26Å; G242-P372 VanDerWaalsContact O-CG 3.28Å; G242-P372 WeakPolarHBondContact O-CG 3.33Å
243T85.3Confident75.7Confident26 Ų2645.2 Ų45.216%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-81.1126.1174.8-530000109.6T239 I240 D241 F245 Q369T239-T243 CarbonylContact C-O 3.6Å; T239-T243 VanDerWaalsContact CA-O 3.3Å; T239-T243 WeakPolarHBondContact CA-O 3.24Å; I240-T243 PolarHBondContact N-O 3.18Å; I240-T243 WeakPolarHBondContact O-CB 3.38Å; I240-T243 PolarHBondContact O-N 3.36Å; D241-T243 PolarHBondContact O-N 3.46Å; T243-F245 HydrophobicContact CG2-CD2 4.41Å; T243-F245 HydrophobicContact CG2-CE2 3.74Å; T243-F245 HydrophobicContact CG2-CZ 3.85Å; T243-F245 WeakPolarHBondContact O-CD2 3.4Å; T243-Q369 HydrophobicContact CG2-CB 4Å
244C85.1Confident77.8Confident4 Ų438.9 Ų38.93%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-86.8130.4175.1174.10000110.7C236 L238 Q369 H370 I375C236-C244 WeakPolarHBondContact CA-SG 3.5Å; C236-C244 HydrophobicContact CB-CB 4.28Å; C236-C244 WeakPolarHBondContact CB-SG 3.46Å; C236-C244 WeakPolarHBondContact SG-CB 3.42Å; C236-C244 CovalentContact SG-SG 2.02Å; C236-C244 PolarHBondContact SG-SG 3.1Å; L238-C244 CarbonylContact O-C 3.45Å; L238-C244 WeakPolarHBondContact O-CA 3.16Å; C244-Q369 CarbonylContact O-C 3.44Å; C244-Q369 WeakPolarHBondContact O-CA 3.42Å; C244-H370 HydrophobicContact CB-CB 4.41Å; C244-H370 PolarHBondContact N-O 2.94Å; C244-H370 PolarHBondContact O-N 3.48Å; C244-I375 HydrophobicContact CB-CD1 3.39Å; C244-I375 HydrophobicContact CB-CG1 4.21Å
245F87.6Confident79.5Confident6 Ų634.7 Ų34.73%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-109.5132.4172.8-64.3-94.1000110Y237 L238 I240 T243 A271 V278 L282 I367 C368 Q369Y237-F245 PolarHBondContact N-O 3.08Å; L238-F245 HydrophobicContact CB-CB 4.34Å; L238-F245 PolarHBondContact N-O 2.93Å; L238-F245 PolarHBondContact O-N 3.25Å; I240-F245 HydrophobicContact CB-CD2 4.4Å; I240-F245 HydrophobicContact CB-CE2 3.9Å; I240-F245 HydrophobicContact CD1-CD2 4.04Å; I240-F245 HydrophobicContact CD1-CE2 3.89Å; I240-F245 HydrophobicContact CG1-CD2 4.09Å; I240-F245 HydrophobicContact CG1-CE2 4Å; T243-F245 HydrophobicContact CG2-CD2 4.41Å; T243-F245 HydrophobicContact CG2-CE2 3.74Å; T243-F245 HydrophobicContact CG2-CZ 3.85Å; T243-F245 WeakPolarHBondContact O-CD2 3.4Å; F245-A271 HydrophobicContact CD1-CB 3.88Å; F245-A271 HydrophobicContact CE1-CB 3.92Å; F245-V278 HydrophobicContact CE1-CG1 4.47Å; F245-V278 HydrophobicContact CZ-CG1 4.06Å; F245-L282 HydrophobicContact CB-CD2 4.25Å; F245-L282 HydrophobicContact CD1-CD1 4.39Å; F245-L282 HydrophobicContact CD1-CD2 4.09Å; F245-L282 HydrophobicContact CE1-CD1 4.35Å; F245-L282 HydrophobicContact CG-CD2 4.14Å; F245-I367 HydrophobicContact CB-CG2 4.25Å; F245-I367 HydrophobicContact CD1-CG2 4.14Å; F245-C368 CarbonylContact C-O 3.56Å; F245-C368 WeakPolarHBondContact CA-O 3.04Å; F245-Q369 HydrophobicContact CD1-CB 4.01Å; F245-Q369 HydrophobicContact CE1-CB 3.88Å; F245-Q369 HydrophobicContact CZ-CB 4.47Å
246M83.2Confident80.7Confident29 Ų2932.2 Ų32.214%0.14318%0.184CC..EExtended strand (participates in β ladder)trans-124.1131.8177.8-67-165.8-75.300111.1S235 Y237 L266 I367 C368 H370S235-M246 VanDerWaalsContact C-SD 3.52Å; S235-M246 WeakPolarHBondContact O-CG 3.2Å; Y237-M246 HydrophobicContact CD2-CB 4.29Å; M246-L266 HydrophobicContact CE-CD1 4.44Å; M246-I367 CarbonylContact O-C 3.56Å; M246-I367 VanDerWaalsContact O-CA 3.27Å; M246-I367 WeakPolarHBondContact O-CA 3.42Å; M246-C368 PolarHBondContact N-O 3.26Å; M246-C368 PolarHBondContact O-N 2.96Å; M246-H370 WeakPolarHBondContact CE-CD2 2.88Å; M246-H370 WeakPolarHBondContact CE-NE2 3.47Å
247V82Confident81.3Confident15 Ų1529.1 Ų29.19%0.09116%0.163CC..EExtended strand (participates in β ladder)trans-97.9130.7177.2-178.20000109.5Y285 L286 L289 F305 I367V247-Y285 HydrophobicContact CG2-CD1 4.32Å; V247-Y285 HydrophobicContact CG2-CE1 3.76Å; V247-L286 HydrophobicContact CG1-CD2 4.49Å; V247-L286 HydrophobicContact CG2-CD2 3.89Å; V247-L289 HydrophobicContact CB-CD1 4.4Å; V247-L289 HydrophobicContact CG1-CD1 4.4Å; V247-L289 HydrophobicContact CG2-CD1 4.15Å; V247-F305 HydrophobicContact CG1-CD1 3.85Å; V247-F305 HydrophobicContact CG1-CE1 3.36Å; V247-F305 HydrophobicContact CG1-CZ 4.28Å; V247-I367 HydrophobicContact CG2-CG1 4.34Å
248S78.6Confident82Confident14 Ų1425.3 Ų25.310%0.09815%0.149CC..  trans-71.1143177.574.80000112.3E250 R365 Y366S248-E250 WeakPolarHBondContact CB-O 3.21Å; S248-E250 PolarHBondContact OG-O 3.35Å; S248-R365 WeakPolarHBondContact OG-CA 3.35Å; S248-Y366 WeakPolarHBondContact CB-O 3.15Å; S248-Y366 PolarHBondContact N-O 3.35Å; S248-Y366 VanDerWaalsContact OG-CD1 3.3Å; S248-Y366 WeakPolarHBondContact OG-CD1 3.42Å; S248-Y366 WeakPolarHBondContact OG-CE1 3.49Å; S248-Y366 PolarHBondContact OG-N 3.13Å; S248-Y366 PolarHBondContact OG-O 3.15Å
249S70.9Confident81.8Confident41 Ų4128 Ų2829%0.28717%0.166SC..SBendtrans-78.6-31.8167.553.10000111.7F233F233-S249 WeakPolarHBondContact CE1-OG 3.37Å; F233-S249 WeakPolarHBondContact CZ-OG 3.21Å
250E71.9Confident81.5Confident53 Ų5328 Ų2825%0.24816%0.16CC..SBendtrans-93.6153.7-18061.2-179163.300112.9F233 S248 R260 Y366F233-E250 HydrophobicContact CD2-CG 4.48Å; F233-E250 HydrophobicContact CE2-CB 4.43Å; F233-E250 HydrophobicContact CE2-CG 4.08Å; S248-E250 WeakPolarHBondContact CB-O 3.21Å; S248-E250 PolarHBondContact OG-O 3.35Å; E250-R260 WeakPolarHBondContact OE1-CD 3.42Å; E250-R260 IonicContact OE1-CZ 3.28Å; E250-R260 IonicContact OE1-NE 3.03Å; E250-R260 IonicContact OE1-NH1 2.77Å; E250-R260 PolarHBondContact OE1-NH1 2.85Å; E250-R260 IonicContact OE2-CZ 4Å; E250-R260 IonicContact OE2-NH1 3.42Å; E250-R260 PolarHBondContact OE2-NH1 3.16Å; E250-R260 IonicContact OE2-NH2 3.44Å; E250-Y366 HydrophobicContact CG-CE1 4.19Å; E250-Y366 WeakPolarHBondContact CG-OH 3.41Å; E250-Y366 PolarHBondContact OE1-OH 3.34Å; E250-Y366 VanDerWaalsContact OE1-OH 3.12Å
251A77.6Confident81.3Confident30 Ų3027.8 Ų27.825%0.24816%0.159CC..  trans-105.9137.7174.700000111.3R363 N364A251-R363 HydrophobicContact CB-CB 4.39Å; A251-R363 PolarHBondContact O-NE 3.32Å; A251-R363 PolarHBondContact O-NH2 3.46Å; A251-N364 CarbonylContact C-O 3.6Å; A251-N364 VanDerWaalsContact CA-O 3.24Å; A251-N364 WeakPolarHBondContact CA-O 3.21Å
252D77.5Confident81Confident3 Ų326.6 Ų26.62%0.01615%0.15CC..BIsolated β-bridgetrans-145.5167.2-179.1-148.5-36.1000111.1R260 W306 R363 N364 Y366D252-R260 IonicContact OD2-CZ 3.6Å; D252-R260 VanDerWaalsContact OD2-CZ 3.28Å; D252-R260 IonicContact OD2-NE 3.95Å; D252-R260 PolarHBondContact OD2-NE 3.4Å; D252-R260 IonicContact OD2-NH2 2.77Å; D252-R260 PolarHBondContact OD2-NH2 2.96Å; D252-W306 PolarHBondContact O-NE1 3.04Å; D252-R363 WeakPolarHBondContact O-CA 3.34Å; D252-R363 IonicContact OD1-NH2 2.62Å; D252-N364 PolarHBondContact N-O 2.93Å; D252-N364 PolarHBondContact O-N 3.12Å; D252-N364 VanDerWaalsContact O-O 3.11Å; D252-Y366 HydrophobicContact CB-CD1 4.44Å; D252-Y366 HydrophobicContact CB-CE1 4.11Å
253S85Confident80.5Confident5 Ų527.9 Ų27.94%0.03515%0.147CC..  trans-58.1158164640000111.1Y255 G256 A257 C360 T362S253-Y255 VanDerWaalsContact C-N 3.31Å; S253-Y255 PolarHBondContact O-N 2.96Å; S253-G256 PolarHBondContact O-N 2.95Å; S253-G256 PolarHBondContact OG-N 3.48Å; S253-G256 VanDerWaalsContact OG-N 3.17Å; S253-A257 WeakPolarHBondContact O-CB 3.35Å; S253-A257 PolarHBondContact O-N 3.15Å; S253-C360 WeakPolarHBondContact CB-O 3.43Å; S253-T362 WeakPolarHBondContact CA-O 3.24Å
254Y86.7Confident78.5Confident0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-53.6-47.9178.4177.1-87.3000112.4A257 K258 L270 W306 I307 G308 L309 T310 D321 C344 C360Y254-A257 WeakPolarHBondContact O-CB 3.38Å; Y254-A257 PolarHBondContact O-N 3.24Å; Y254-K258 HydrophobicContact CE1-CD 4.26Å; Y254-K258 WeakPolarHBondContact O-CB 3.28Å; Y254-K258 PolarHBondContact O-N 3.33Å; Y254-L270 HydrophobicContact CD2-CD1 4.18Å; Y254-L270 HydrophobicContact CE1-CD1 4.29Å; Y254-L270 HydrophobicContact CE2-CD1 3.82Å; Y254-W306 HydrophobicContact CD2-CB 4.41Å; Y254-W306 HydrophobicContact CD2-CD2 4.11Å; Y254-W306 AromaticContact CD2-CE3 3.95Å; Y254-W306 HydrophobicContact CD2-CE3 3.95Å; Y254-W306 HydrophobicContact CD2-CG 4.35Å; Y254-I307 WeakPolarHBondContact CE2-O 3.42Å; Y254-G308 VanDerWaalsContact OH-C 3.28Å; Y254-L309 PolarHBondContact OH-N 3.35Å; Y254-T310 HydrophobicContact CD1-CG2 4.22Å; Y254-T310 HydrophobicContact CE1-CG2 3.5Å; Y254-T310 VanDerWaalsContact CE1-CG2 3.5Å; Y254-T310 HydrophobicContact CE2-CG2 3.92Å; Y254-T310 WeakPolarHBondContact OH-CG2 3.34Å; Y254-D321 PolarHBondContact OH-OD1 2.88Å; Y254-D321 PolarHBondContact OH-OD2 2.63Å; Y254-C344 WeakPolarHBondContact CB-SG 3.26Å; Y254-C344 HydrophobicContact CD1-CB 4.44Å; Y254-C344 WeakPolarHBondContact CD1-SG 3.45Å; Y254-C344 HydrophobicContact CD2-CB 3.46Å; Y254-C344 VanDerWaalsContact CD2-CB 3.46Å; Y254-C344 VanDerWaalsContact CD2-SG 3.59Å; Y254-C344 HydrophobicContact CE2-CB 4.04Å; Y254-C344 HydrophobicContact CG-CB 3.68Å; Y254-C360 PolarHBondContact N-O 3.2Å
255Y83.4Confident76.8Confident44 Ų4439.1 Ų39.117%0.17321%0.214CC..Hα-helixtrans-70.9-36.1-178.4-65.5-73.9000112S213 S253 K258 T259 C360S213-Y255 WeakPolarHBondContact CB-OH 3.43Å; S213-Y255 PolarHBondContact OG-OH 3.21Å; S253-Y255 VanDerWaalsContact C-N 3.31Å; S253-Y255 PolarHBondContact O-N 2.96Å; Y255-K258 PolarHBondContact O-N 3.44Å; Y255-T259 PolarHBondContact O-N 3.31Å; Y255-T259 PolarHBondContact O-OG1 3.2Å; Y255-C360 HydrophobicContact CD2-CB 4.32Å; Y255-C360 HydrophobicContact CE2-CB 3.96Å
256G81.8Confident75.1Confident6 Ų640.1 Ų40.16%0.06222%0.22CC..Hα-helixtrans-59.7-47.3171.200000111.6S253 T259 R260S253-G256 PolarHBondContact O-N 2.95Å; S253-G256 PolarHBondContact OG-N 3.48Å; S253-G256 VanDerWaalsContact OG-N 3.17Å; G256-T259 PolarHBondContact O-N 2.86Å; G256-R260 VanDerWaalsContact O-CG 3.3Å; G256-R260 WeakPolarHBondContact O-CG 3Å; G256-R260 PolarHBondContact O-N 2.76Å
257A84.9Confident74.3Confident0 Ų047.8 Ų47.80%025%0.247CC..Hα-helixtrans-58.7-47.617500000112.5S253 Y254 T259 R260 C261 L270 Y366S253-A257 WeakPolarHBondContact O-CB 3.35Å; S253-A257 PolarHBondContact O-N 3.15Å; Y254-A257 WeakPolarHBondContact O-CB 3.38Å; Y254-A257 PolarHBondContact O-N 3.24Å; A257-T259 PolarHBondContact O-N 2.79Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 3.17Å; A257-R260 VanDerWaalsContact O-N 3.1Å; A257-C261 PolarHBondContact O-N 2.96Å; A257-C261 PolarHBondContact O-SG 3.45Å; A257-L270 HydrophobicContact CB-CD2 4.08Å; A257-Y366 HydrophobicContact CB-CD1 3.41Å; A257-Y366 VanDerWaalsContact CB-CD1 3.41Å; A257-Y366 HydrophobicContact CB-CD2 3.88Å; A257-Y366 HydrophobicContact CB-CE1 4.07Å; A257-Y366 HydrophobicContact CB-CE2 4.47Å; A257-Y366 HydrophobicContact CB-CG 3.33Å
258K85.6Confident74Confident41 Ų4147.1 Ų47.118%0.17824%0.244CC..Hα-helixtrans-55.1-50.4175.7-176.2175-177.4165.50112Y254 Y255 R260 C261 Q262 L270 D321Y254-K258 HydrophobicContact CE1-CD 4.26Å; Y254-K258 WeakPolarHBondContact O-CB 3.28Å; Y254-K258 PolarHBondContact O-N 3.33Å; Y255-K258 PolarHBondContact O-N 3.44Å; K258-R260 VanDerWaalsContact C-N 3.28Å; K258-R260 PolarHBondContact O-N 3.46Å; K258-C261 PolarHBondContact O-N 3.4Å; K258-Q262 WeakPolarHBondContact O-CB 3.46Å; K258-Q262 VanDerWaalsContact O-CG 3.25Å; K258-Q262 WeakPolarHBondContact O-CG 3.49Å; K258-Q262 PolarHBondContact O-N 2.85Å; K258-Q262 VanDerWaalsContact O-N 3.12Å; K258-L270 HydrophobicContact CB-CD1 3.75Å; K258-L270 HydrophobicContact CB-CG 4.3Å; K258-L270 HydrophobicContact CG-CD1 4.4Å; K258-D321 VanDerWaalsContact CD-OD2 3.32Å; K258-D321 WeakPolarHBondContact CD-OD2 3.5Å; K258-D321 WeakPolarHBondContact CE-OD1 3.47Å; K258-D321 WeakPolarHBondContact CE-OD2 3.48Å; K258-D321 IonicContact NZ-OD1 3.86Å; K258-D321 PolarHBondContact NZ-OD1 2.78Å; K258-D321 IonicContact NZ-OD2 3.91Å
259T78.3Confident74.5Confident62 Ų6247.8 Ų47.838%0.3825%0.248SC..Hα-helixtrans-62.8-35.6177.5-60.10000112.1Y255 G256 A257 Q262 K263Y255-T259 PolarHBondContact O-N 3.31Å; Y255-T259 PolarHBondContact O-OG1 3.2Å; G256-T259 PolarHBondContact O-N 2.86Å; A257-T259 PolarHBondContact O-N 2.79Å; T259-Q262 PolarHBondContact O-N 3.23Å; T259-K263 HydrophobicContact CG2-CG 4.4Å; T259-K263 WeakPolarHBondContact O-CG 3.34Å; T259-K263 PolarHBondContact O-N 3Å; T259-K263 VanDerWaalsContact O-N 3.08Å
260R79.1Confident75.4Confident53 Ų5345.9 Ų45.920%0.223%0.234CC..Hα-helixtrans-66.3-41.5177.2-73.5178.1-165.9-98.94.1112.3E250 D252 G256 A257 K258 Q262 K263 Y366E250-R260 WeakPolarHBondContact OE1-CD 3.42Å; E250-R260 IonicContact OE1-CZ 3.28Å; E250-R260 IonicContact OE1-NE 3.03Å; E250-R260 IonicContact OE1-NH1 2.77Å; E250-R260 PolarHBondContact OE1-NH1 2.85Å; E250-R260 IonicContact OE2-CZ 4Å; E250-R260 IonicContact OE2-NH1 3.42Å; E250-R260 PolarHBondContact OE2-NH1 3.16Å; E250-R260 IonicContact OE2-NH2 3.44Å; D252-R260 IonicContact OD2-CZ 3.6Å; D252-R260 VanDerWaalsContact OD2-CZ 3.28Å; D252-R260 IonicContact OD2-NE 3.95Å; D252-R260 PolarHBondContact OD2-NE 3.4Å; D252-R260 IonicContact OD2-NH2 2.77Å; D252-R260 PolarHBondContact OD2-NH2 2.96Å; G256-R260 VanDerWaalsContact O-CG 3.3Å; G256-R260 WeakPolarHBondContact O-CG 3Å; G256-R260 PolarHBondContact O-N 2.76Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 3.17Å; A257-R260 VanDerWaalsContact O-N 3.1Å; K258-R260 VanDerWaalsContact C-N 3.28Å; K258-R260 PolarHBondContact O-N 3.46Å; R260-Q262 VanDerWaalsContact C-N 3.25Å; R260-Q262 PolarHBondContact O-N 3.45Å; R260-K263 PolarHBondContact O-N 3.5Å; R260-Y366 HydrophobicContact CB-CE2 4.09Å; R260-Y366 WeakPolarHBondContact CD-OH 3.29Å
261C80Confident76.5Confident4 Ų443.3 Ų43.33%0.02722%0.222CC..Hα-helixtrans-64.7-31.3173.6-59.80000112.7A257 K258 G268 C368A257-C261 PolarHBondContact O-N 2.96Å; A257-C261 PolarHBondContact O-SG 3.45Å; K258-C261 PolarHBondContact O-N 3.4Å; C261-G268 CarbonylContact C-O 3.55Å; C261-G268 CarbonylContact O-C 3.57Å; C261-G268 WeakPolarHBondContact O-CA 3.27Å; C261-G268 PolarHBondContact O-N 3.32Å; C261-G268 VanDerWaalsContact O-O 3.14Å; C261-C368 WeakPolarHBondContact CA-SG 3.46Å; C261-C368 HydrophobicContact CB-CB 3.7Å; C261-C368 WeakPolarHBondContact CB-SG 3.44Å; C261-C368 WeakPolarHBondContact SG-CA 3.19Å; C261-C368 WeakPolarHBondContact SG-CB 3.21Å; C261-C368 CovalentContact SG-SG 2.04Å; C261-C368 PolarHBondContact SG-SG 3.38Å
262Q76.6Confident77.2Confident92 Ų9242.4 Ų42.443%0.4321%0.212SC..Hα-helixtrans-85.5-10.4-177.6-69.9174.9-23.300114.9K258 T259 R260 G268K258-Q262 WeakPolarHBondContact O-CB 3.46Å; K258-Q262 VanDerWaalsContact O-CG 3.25Å; K258-Q262 WeakPolarHBondContact O-CG 3.49Å; K258-Q262 PolarHBondContact O-N 2.85Å; K258-Q262 VanDerWaalsContact O-N 3.12Å; T259-Q262 PolarHBondContact O-N 3.23Å; R260-Q262 VanDerWaalsContact C-N 3.25Å; R260-Q262 PolarHBondContact O-N 3.45Å; Q262-G268 WeakPolarHBondContact CA-O 3.42Å; Q262-G268 VanDerWaalsContact CG-O 3.27Å; Q262-G268 WeakPolarHBondContact CG-O 3.25Å
263K69.9Low78Confident58 Ų5842.2 Ų42.225%0.25221%0.212SC..SBendtrans-73.6162.2-175-95-177.2178.6-178.70113.5L231 T259 R260L231-K263 HydrophobicContact CD1-CD 4.36Å; L231-K263 HydrophobicContact CD2-CD 4.01Å; L231-K263 HydrophobicContact CG-CD 4.47Å; T259-K263 HydrophobicContact CG2-CG 4.4Å; T259-K263 WeakPolarHBondContact O-CG 3.34Å; T259-K263 PolarHBondContact O-N 3Å; T259-K263 VanDerWaalsContact O-N 3.08Å; R260-K263 PolarHBondContact O-N 3.5Å
264Q43Very low78.1Confident199 Ų19945.8 Ų45.893%0.9323%0.227SC*.THydrogen-bonded Turntrans-48.8133.8-161.8-80.2176-22.300116
265G50.1Low78.1Confident66 Ų6647.3 Ų47.368%0.6824%0.238SC*.THydrogen-bonded Turntrans122.5-40.1171.400000113.3
266L51.4Low77.9Confident28 Ų2846 Ų4615%0.14723%0.234CC..SBendtrans-130.1-1.2-164.8-75156.9000115.4M246 G268 H370 Q374 W378M246-L266 HydrophobicContact CE-CD1 4.44Å; L266-G268 PolarHBondContact O-N 2.95Å; L266-H370 VanDerWaalsContact CB-CE1 3.42Å; L266-H370 WeakPolarHBondContact CB-CE1 2.96Å; L266-H370 WeakPolarHBondContact CB-ND1 3.23Å; L266-H370 PolarHBondContact O-ND1 2.87Å; L266-Q374 PolarHBondContact O-OE1 3.29Å; L266-W378 HydrophobicContact CD2-CB 3.57Å; L266-W378 HydrophobicContact CD2-CD2 4.11Å; L266-W378 HydrophobicContact CD2-CG 3.52Å; L266-W378 HydrophobicContact CG-CG 4.29Å
267R66.3Low78Confident189 Ų18947.8 Ų47.871%0.71324%0.24SC*.  trans42.836.7176.7-75.7-169.7170-168.2-1.9114.9Q374R267-Q374 PolarHBondContact O-NE2 3.31Å; R267-Q374 PolarHBondContact O-OE1 3.46Å
268G76.3Confident78.2Confident2 Ų248.5 Ų48.52%0.02124%0.244CC..  trans-77.4168.7-177.400000113.9C261 Q262 L266 Q369 H370C261-G268 CarbonylContact C-O 3.55Å; C261-G268 CarbonylContact O-C 3.57Å; C261-G268 WeakPolarHBondContact O-CA 3.27Å; C261-G268 PolarHBondContact O-N 3.32Å; C261-G268 VanDerWaalsContact O-O 3.14Å; Q262-G268 WeakPolarHBondContact CA-O 3.42Å; Q262-G268 VanDerWaalsContact CG-O 3.27Å; Q262-G268 WeakPolarHBondContact CG-O 3.25Å; L266-G268 PolarHBondContact O-N 2.95Å; G268-Q369 WeakPolarHBondContact CA-O 3.28Å; G268-H370 WeakPolarHBondContact CA-CE1 3.2Å; G268-H370 WeakPolarHBondContact CA-ND1 3.4Å; G268-H370 PolarHBondContact N-CE1 3.25Å; G268-H370 PolarHBondContact N-ND1 3.16Å
269T87.3Confident78.3Confident28 Ų2846.7 Ų46.717%0.17224%0.236CC..EExtended strand (participates in β ladder)trans-123.1170.2169.2560000109.5T322 C368 Q369T269-T322 HydrophobicContact CG2-CG2 4.42Å; T269-C368 CarbonylContact O-C 3.39Å; T269-C368 VanDerWaalsContact O-CA 3.31Å; T269-C368 WeakPolarHBondContact O-CA 3.47Å; T269-Q369 PolarHBondContact N-O 3.1Å; T269-Q369 VanDerWaalsContact N-O 3.1Å; T269-Q369 PolarHBondContact O-N 3.44Å; T269-Q369 WeakPolarHBondContact OG1-CG 3.5Å; T269-Q369 PolarHBondContact OG1-NE2 2.92Å
270L91.8Very high78.4Confident0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-62.5149.2162.4-76.1168.3000109.1Y254 A257 K258 E272 W306 Y366 I367Y254-L270 HydrophobicContact CD2-CD1 4.18Å; Y254-L270 HydrophobicContact CE1-CD1 4.29Å; Y254-L270 HydrophobicContact CE2-CD1 3.82Å; A257-L270 HydrophobicContact CB-CD2 4.08Å; K258-L270 HydrophobicContact CB-CD1 3.75Å; K258-L270 HydrophobicContact CB-CG 4.3Å; K258-L270 HydrophobicContact CG-CD1 4.4Å; L270-E272 PolarHBondContact O-N 3.08Å; L270-W306 HydrophobicContact CD2-CB 4.46Å; L270-Y366 HydrophobicContact CD2-CD2 4.32Å; L270-Y366 HydrophobicContact CD2-CG 4.46Å; L270-I367 CarbonylContact C-O 3.45Å; L270-I367 WeakPolarHBondContact CA-O 3.43Å
271A94.2Very high78.6Confident0 Ų041.9 Ų41.90%021%0.212CC..  trans-57.1135.9-17400000112.6F245 I307 G308 I367F245-A271 HydrophobicContact CD1-CB 3.88Å; F245-A271 HydrophobicContact CE1-CB 3.92Å; A271-I307 HydrophobicContact CB-CG2 4.43Å; A271-G308 PolarHBondContact O-N 2.88Å; A271-I367 HydrophobicContact CB-CB 3.79Å; A271-I367 HydrophobicContact CB-CG2 3.65Å; A271-I367 PolarHBondContact N-O 3.27Å
272E93Very high78.9Confident10 Ų1041.7 Ų41.75%0.04721%0.211CC..  trans-112.8126.2176.1-56.9-173.1171.300109.7L270 H274 W320 T322L270-E272 PolarHBondContact O-N 3.08Å; E272-H274 WeakPolarHBondContact CB-NE2 3.33Å; E272-H274 IonicContact OE2-CD2 2.78Å; E272-H274 IonicContact OE2-CE1 2.99Å; E272-H274 IonicContact OE2-NE2 2.91Å; E272-H274 PolarHBondContact OE2-NE2 3.14Å; E272-W320 HydrophobicContact CB-CD2 4.01Å; E272-W320 HydrophobicContact CB-CE3 3.79Å; E272-W320 HydrophobicContact CB-CZ3 4.15Å; E272-W320 HydrophobicContact CG-CB 4.3Å; E272-W320 HydrophobicContact CG-CD2 4.09Å; E272-W320 HydrophobicContact CG-CE3 3.75Å; E272-W320 HydrophobicContact CG-CG 4.34Å; E272-W320 HydrophobicContact CG-CZ3 4.47Å; E272-T322 VanDerWaalsContact OE1-CB 3.28Å; E272-T322 WeakPolarHBondContact OE1-CB 3.22Å; E272-T322 WeakPolarHBondContact OE1-CG2 3.3Å; E272-T322 PolarHBondContact OE1-N 2.89Å; E272-T322 PolarHBondContact OE1-OG1 3.42Å; E272-T322 PolarHBondContact OE2-OG1 3.27Å
273I93.1Very high79.2Confident0 Ų038.3 Ų38.30%020%0.197CC..  trans-111.390.5-173.3-54.7179.9000107.7V278 Q279 L282 I307 W320 F328 L347 W355I273-V278 HydrophobicContact CB-CG1 4.37Å; I273-V278 HydrophobicContact CG1-CG1 4.3Å; I273-V278 HydrophobicContact CG2-CB 4.12Å; I273-V278 HydrophobicContact CG2-CG1 4.03Å; I273-Q279 HydrophobicContact CG2-CB 3.78Å; I273-L282 HydrophobicContact CD1-CD1 3.72Å; I273-L282 HydrophobicContact CG1-CD1 3.82Å; I273-I307 HydrophobicContact CD1-CD1 4.2Å; I273-I307 HydrophobicContact CD1-CG2 4.15Å; I273-W320 HydrophobicContact CB-CH2 4Å; I273-W320 WeakPolarHBondContact O-CZ2 3.36Å; I273-F328 HydrophobicContact CG2-CD1 4.28Å; I273-F328 HydrophobicContact CG2-CE1 3.91Å; I273-F328 WeakPolarHBondContact O-CD1 3.38Å; I273-L347 HydrophobicContact CD1-CD1 4.45Å; I273-L347 HydrophobicContact CD1-CD2 4.03Å; I273-W355 HydrophobicContact CB-CH2 4.38Å; I273-W355 HydrophobicContact CB-CZ2 3.69Å; I273-W355 HydrophobicContact CD1-CZ2 4.29Å; I273-W355 HydrophobicContact CG2-CZ2 3.79Å
274H88.2Confident79.6Confident79 Ų7937.2 Ų37.237%0.36619%0.192SC..  trans-88.9-5.8-173.6-69.5-71.7000114.5E272 W320 E324 F328E272-H274 WeakPolarHBondContact CB-NE2 3.33Å; E272-H274 IonicContact OE2-CD2 2.78Å; E272-H274 IonicContact OE2-CE1 2.99Å; E272-H274 IonicContact OE2-NE2 2.91Å; E272-H274 PolarHBondContact OE2-NE2 3.14Å; H274-W320 AromaticContact CE1-CD1 3.38Å; H274-W320 AromaticContact CE1-CE2 3.99Å; H274-W320 AromaticContact CE1-NE1 3.3Å; H274-W320 PolarHBondContact CE1-NE1 2.98Å; H274-W320 VanDerWaalsContact CE1-NE1 3.3Å; H274-W320 AromaticContact ND1-CD1 3.94Å; H274-W320 AromaticContact ND1-NE1 3.42Å; H274-W320 PolarHBondContact ND1-NE1 2.91Å; H274-E324 IonicContact CE1-OE2 2.73Å; H274-E324 PolarHBondContact CE1-OE2 2.6Å; H274-E324 VanDerWaalsContact CE1-OE2 3.25Å; H274-E324 IonicContact NE2-OE2 3.77Å; H274-F328 WeakPolarHBondContact O-CB 3.24Å
275S86.4Confident81.5Confident33 Ų3330 Ų3023%0.23116%0.157CC..SBendtrans-153.7161.1-179.169.20000112.7K277 V278 Q279S275-K277 PolarHBondContact O-N 2.98Å; S275-V278 PolarHBondContact O-N 2.86Å; S275-V278 PolarHBondContact OG-N 3.1Å; S275-Q279 PolarHBondContact O-N 3.46Å; S275-Q279 VanDerWaalsContact O-N 3.09Å
276Q79.4Confident82.9Confident16 Ų1626.9 Ų26.98%0.07512%0.124CC..Hα-helixtrans-60.1-34.6172.9-167.573.644.400111.9P126 V278 Q279 D280 F328P126-Q276 HydrophobicContact CB-CB 3.46Å; P126-Q276 VanDerWaalsContact CB-CB 3.46Å; P126-Q276 HydrophobicContact CB-CG 3.41Å; P126-Q276 VanDerWaalsContact CB-CG 3.41Å; P126-Q276 HydrophobicContact CG-CB 3.68Å; P126-Q276 HydrophobicContact CG-CG 3.56Å; Q276-V278 PolarHBondContact O-N 3.21Å; Q276-Q279 WeakPolarHBondContact O-CB 3.35Å; Q276-Q279 PolarHBondContact O-N 2.8Å; Q276-D280 PolarHBondContact NE2-OD1 3.35Å; Q276-D280 WeakPolarHBondContact O-CB 3.45Å; Q276-D280 VanDerWaalsContact O-CG 3.3Å; Q276-D280 PolarHBondContact O-N 2.82Å; Q276-F328 VanDerWaalsContact CA-CZ 3.5Å; Q276-F328 HydrophobicContact CB-CE2 3.82Å; Q276-F328 HydrophobicContact CB-CZ 4.03Å; Q276-F328 VanDerWaalsContact OE1-CE2 3.25Å; Q276-F328 VanDerWaalsContact OE1-CZ 3.27Å
277K83.2Confident83.8Confident43 Ų4326.8 Ų26.819%0.18713%0.126CC..Hα-helixtrans-56.1-49.4175.4175.5-175.3171.7-162.60111.3W130 D241 S275 Q279 D280 I281W130-K277 HydrophobicContact CD2-CB 4.11Å; W130-K277 HydrophobicContact CD2-CG 3.82Å; W130-K277 HydrophobicContact CE3-CB 4.27Å; W130-K277 HydrophobicContact CE3-CD 3.97Å; W130-K277 HydrophobicContact CE3-CG 3.76Å; W130-K277 HydrophobicContact CG-CG 4.37Å; W130-K277 HydrophobicContact CH2-CB 4.09Å; W130-K277 HydrophobicContact CH2-CD 4.5Å; W130-K277 HydrophobicContact CH2-CG 4.4Å; W130-K277 HydrophobicContact CZ2-CB 3.87Å; W130-K277 HydrophobicContact CZ2-CG 4.41Å; W130-K277 HydrophobicContact CZ3-CB 4.27Å; W130-K277 HydrophobicContact CZ3-CD 3.95Å; W130-K277 HydrophobicContact CZ3-CG 4.06Å; D241-K277 IonicContact OD1-NZ 3.7Å; D241-K277 PolarHBondContact OD1-NZ 3.26Å; D241-K277 IonicContact OD2-NZ 2.92Å; D241-K277 PolarHBondContact OD2-NZ 3.3Å; S275-K277 PolarHBondContact O-N 2.98Å; K277-Q279 VanDerWaalsContact C-N 3.35Å; K277-D280 PolarHBondContact O-N 3.38Å; K277-I281 HydrophobicContact CG-CD1 3.81Å; K277-I281 WeakPolarHBondContact O-CD1 3.36Å; K277-I281 VanDerWaalsContact O-CG1 3.24Å; K277-I281 WeakPolarHBondContact O-CG1 3.46Å; K277-I281 PolarHBondContact O-N 3.34Å; K277-I281 VanDerWaalsContact O-N 3.1Å
278V88.9Confident83.9Confident16 Ų1623.1 Ų23.110%0.09712%0.117CC..Hα-helixtrans-63.2-43.4178178.20000110.4I240 F245 I273 S275 Q276 L282I240-V278 HydrophobicContact CD1-CG1 4.19Å; I240-V278 HydrophobicContact CG2-CG2 4.18Å; F245-V278 HydrophobicContact CE1-CG1 4.47Å; F245-V278 HydrophobicContact CZ-CG1 4.06Å; I273-V278 HydrophobicContact CB-CG1 4.37Å; I273-V278 HydrophobicContact CG1-CG1 4.3Å; I273-V278 HydrophobicContact CG2-CB 4.12Å; I273-V278 HydrophobicContact CG2-CG1 4.03Å; S275-V278 PolarHBondContact O-N 2.86Å; S275-V278 PolarHBondContact OG-N 3.1Å; Q276-V278 PolarHBondContact O-N 3.21Å; V278-L282 HydrophobicContact CG1-CD1 3.86Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CB 3.47Å; V278-L282 WeakPolarHBondContact O-CG 3.38Å; V278-L282 PolarHBondContact O-N 2.75Å
279Q88.6Confident83.3Confident2 Ų224.3 Ų24.31%0.00912%0.122CC..Hα-helixtrans-57.6-52.6176.4176.864.618.800112I273 S275 Q276 K277 I281 L282 V283 F328 F353I273-Q279 HydrophobicContact CG2-CB 3.78Å; S275-Q279 PolarHBondContact O-N 3.46Å; S275-Q279 VanDerWaalsContact O-N 3.09Å; Q276-Q279 WeakPolarHBondContact O-CB 3.35Å; Q276-Q279 PolarHBondContact O-N 2.8Å; K277-Q279 VanDerWaalsContact C-N 3.35Å; Q279-I281 PolarHBondContact O-N 3.43Å; Q279-L282 PolarHBondContact O-N 3.03Å; Q279-V283 HydrophobicContact CG-CG2 4.15Å; Q279-V283 VanDerWaalsContact NE2-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CB 3.3Å; Q279-V283 WeakPolarHBondContact O-CG2 3.26Å; Q279-V283 PolarHBondContact O-N 2.94Å; Q279-F328 HydrophobicContact CB-CE1 4.03Å; Q279-F328 HydrophobicContact CB-CZ 4.08Å; Q279-F353 PolarHBondContact NE2-O 3.29Å
280D79.3Confident81.7Confident11 Ų1126 Ų266%0.05913%0.129CC..Hα-helixtrans-64.9-42.2-174.6-72-4.6000111.6W104 T106 W130 Q276 K277 V283 F284W104-D280 PolarHBondContact NE1-OD2 3.14Å; T106-D280 WeakPolarHBondContact CG2-OD1 3Å; T106-D280 PolarHBondContact OG1-OD1 3.46Å; T106-D280 PolarHBondContact OG1-OD2 2.97Å; W130-D280 PolarHBondContact NE1-OD2 2.92Å; Q276-D280 PolarHBondContact NE2-OD1 3.35Å; Q276-D280 WeakPolarHBondContact O-CB 3.45Å; Q276-D280 VanDerWaalsContact O-CG 3.3Å; Q276-D280 PolarHBondContact O-N 2.82Å; K277-D280 PolarHBondContact O-N 3.38Å; D280-V283 PolarHBondContact O-N 3.21Å; D280-F284 WeakPolarHBondContact O-CB 3.32Å; D280-F284 PolarHBondContact O-N 3.35Å
281I83.8Confident79.4Confident3 Ų330.7 Ų30.72%0.01517%0.167CC..Hα-helixtrans-66-42177.8-63.2168000110.6W130 T132 V137 L238 I240 K277 Q279 F284 Y285W130-I281 HydrophobicContact CB-CD1 4.33Å; W130-I281 HydrophobicContact CB-CG1 4Å; T132-I281 HydrophobicContact CG2-CG2 4.1Å; V137-I281 HydrophobicContact CG2-CG1 4.12Å; L238-I281 HydrophobicContact CD1-CG2 3.96Å; L238-I281 HydrophobicContact CD2-CG2 4.13Å; I240-I281 HydrophobicContact CD1-CB 3.86Å; I240-I281 HydrophobicContact CD1-CD1 4.43Å; I240-I281 HydrophobicContact CD1-CG2 3.7Å; I240-I281 HydrophobicContact CG1-CB 4.46Å; I240-I281 HydrophobicContact CG1-CD1 4.4Å; I240-I281 HydrophobicContact CG1-CG2 3.94Å; I240-I281 HydrophobicContact CG2-CD1 3.94Å; K277-I281 HydrophobicContact CG-CD1 3.81Å; K277-I281 WeakPolarHBondContact O-CD1 3.36Å; K277-I281 VanDerWaalsContact O-CG1 3.24Å; K277-I281 WeakPolarHBondContact O-CG1 3.46Å; K277-I281 PolarHBondContact O-N 3.34Å; K277-I281 VanDerWaalsContact O-N 3.1Å; Q279-I281 PolarHBondContact O-N 3.43Å; I281-F284 PolarHBondContact O-N 2.74Å; I281-Y285 WeakPolarHBondContact O-CB 3.5Å; I281-Y285 PolarHBondContact O-N 2.91Å
282L86.4Confident77.2Confident1 Ų134.8 Ų34.81%0.00520%0.196CC..Hα-helixtrans-64.3-47.1175.3-77.5171.7000111.7L238 I240 F245 I273 V278 Q279 F284 Y285 L286L238-L282 HydrophobicContact CD2-CD2 3.75Å; L238-L282 HydrophobicContact CD2-CG 4.5Å; I240-L282 HydrophobicContact CD1-CG 4.3Å; F245-L282 HydrophobicContact CB-CD2 4.25Å; F245-L282 HydrophobicContact CD1-CD1 4.39Å; F245-L282 HydrophobicContact CD1-CD2 4.09Å; F245-L282 HydrophobicContact CE1-CD1 4.35Å; F245-L282 HydrophobicContact CG-CD2 4.14Å; I273-L282 HydrophobicContact CD1-CD1 3.72Å; I273-L282 HydrophobicContact CG1-CD1 3.82Å; V278-L282 HydrophobicContact CG1-CD1 3.86Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CB 3.47Å; V278-L282 WeakPolarHBondContact O-CG 3.38Å; V278-L282 PolarHBondContact O-N 2.75Å; Q279-L282 PolarHBondContact O-N 3.03Å; L282-F284 VanDerWaalsContact C-N 3.26Å; L282-F284 PolarHBondContact O-N 2.86Å; L282-Y285 PolarHBondContact O-N 2.02Å; L282-L286 WeakPolarHBondContact O-CB 3.33Å; L282-L286 WeakPolarHBondContact O-CG 3.38Å; L282-L286 PolarHBondContact O-N 3.13Å
283V83.3Confident74.8Confident20 Ų2037.9 Ų37.912%0.12121%0.213CC..Hα-helixtrans-55.9-43.8177.1169.60000110.7Q279 D280 S287 T352 F353Q279-V283 HydrophobicContact CG-CG2 4.15Å; Q279-V283 VanDerWaalsContact NE2-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CB 3.3Å; Q279-V283 WeakPolarHBondContact O-CG2 3.26Å; Q279-V283 PolarHBondContact O-N 2.94Å; D280-V283 PolarHBondContact O-N 3.21Å; V283-S287 VanDerWaalsContact O-CB 3.26Å; V283-S287 WeakPolarHBondContact O-CB 3.44Å; V283-S287 PolarHBondContact O-N 2.86Å; V283-S287 PolarHBondContact O-OG 2.65Å; V283-T352 WeakPolarHBondContact CG1-O 3.39Å; V283-F353 HydrophobicContact CB-CB 4.43Å; V283-F353 HydrophobicContact CG1-CB 4.48Å; V283-F353 HydrophobicContact CG1-CD2 4.25Å; V283-F353 HydrophobicContact CG2-CB 3.81Å
284F78.9Confident72.6Confident36 Ų3646.7 Ų46.716%0.15825%0.254CS..Hα-helixtrans-60.9-54.1176.3174.5-104.7000111.6T132 V137 T138 D280 I281 L282 L286 S287 E288T132-F284 HydrophobicContact CG2-CD1 4.5Å; V137-F284 HydrophobicContact CB-CD1 4.5Å; V137-F284 HydrophobicContact CB-CG 4.26Å; V137-F284 HydrophobicContact CG1-CB 3.66Å; V137-F284 HydrophobicContact CG1-CD1 4.47Å; V137-F284 HydrophobicContact CG1-CD2 4.01Å; V137-F284 HydrophobicContact CG1-CG 3.79Å; V137-F284 HydrophobicContact CG2-CB 4.31Å; V137-F284 HydrophobicContact CG2-CD1 3.96Å; V137-F284 HydrophobicContact CG2-CG 4.11Å; T138-F284 HydrophobicContact CG2-CD2 4.5Å; T138-F284 HydrophobicContact CG2-CE2 3.85Å; T138-F284 VanDerWaalsContact OG1-CD2 3.3Å; T138-F284 WeakPolarHBondContact OG1-CD2 3.37Å; T138-F284 WeakPolarHBondContact OG1-CE2 3.3Å; D280-F284 WeakPolarHBondContact O-CB 3.32Å; D280-F284 PolarHBondContact O-N 3.35Å; I281-F284 PolarHBondContact O-N 2.74Å; L282-F284 VanDerWaalsContact C-N 3.26Å; L282-F284 PolarHBondContact O-N 2.86Å; F284-L286 PolarHBondContact O-N 3.07Å; F284-S287 PolarHBondContact O-N 3.48Å; F284-E288 HydrophobicContact CE2-CG 4.31Å; F284-E288 HydrophobicContact CZ-CG 4.24Å; F284-E288 WeakPolarHBondContact O-CG 3.21Å; F284-E288 PolarHBondContact O-N 3.14Å
285Y81.4Confident70.5Confident47 Ų4746.6 Ų46.618%0.18426%0.259CS..Hα-helixtrans-58.8-45.8179.9178.7-104.5000112.4Y237 L238 V247 I281 L282 S287 E288 L289Y237-Y285 WeakPolarHBondContact CB-OH 3.46Å; L238-Y285 HydrophobicContact CD2-CD1 4.28Å; L238-Y285 HydrophobicContact CD2-CG 4.1Å; V247-Y285 HydrophobicContact CG2-CD1 4.32Å; V247-Y285 HydrophobicContact CG2-CE1 3.76Å; I281-Y285 WeakPolarHBondContact O-CB 3.5Å; I281-Y285 PolarHBondContact O-N 2.91Å; L282-Y285 PolarHBondContact O-N 2.02Å; Y285-S287 VanDerWaalsContact C-N 3.34Å; Y285-S287 PolarHBondContact O-N 2.88Å; Y285-E288 PolarHBondContact O-N 2.91Å; Y285-L289 HydrophobicContact CD1-CD1 3.97Å; Y285-L289 HydrophobicContact CD1-CG 4.45Å; Y285-L289 HydrophobicContact CE1-CD1 3.31Å; Y285-L289 HydrophobicContact CE1-CG 3.98Å; Y285-L289 HydrophobicContact CE2-CG 4.47Å; Y285-L289 WeakPolarHBondContact O-CG 3.44Å; Y285-L289 PolarHBondContact O-N 3.31Å; Y285-L289 VanDerWaalsContact O-N 3.08Å
286L80.7Confident68.3Low1 Ų151.1 Ų51.11%0.00529%0.285CS..Hα-helixtrans-65.3-36178.1-65.7173000112.3V247 L282 F284 E288 L289 E290 F305 L347 F353 I367V247-L286 HydrophobicContact CG1-CD2 4.49Å; V247-L286 HydrophobicContact CG2-CD2 3.89Å; L282-L286 WeakPolarHBondContact O-CB 3.33Å; L282-L286 WeakPolarHBondContact O-CG 3.38Å; L282-L286 PolarHBondContact O-N 3.13Å; F284-L286 PolarHBondContact O-N 3.07Å; L286-E288 VanDerWaalsContact C-N 3.34Å; L286-L289 HydrophobicContact CD2-CD1 4.47Å; L286-L289 WeakPolarHBondContact O-CB 3.21Å; L286-L289 PolarHBondContact O-N 3.31Å; L286-E290 PolarHBondContact O-N 3.17Å; L286-E290 VanDerWaalsContact O-N 3.1Å; L286-F305 HydrophobicContact CD1-CD2 4.14Å; L286-F305 HydrophobicContact CD2-CD1 4.35Å; L286-F305 HydrophobicContact CD2-CD2 4.07Å; L286-F305 HydrophobicContact CD2-CE1 4.22Å; L286-F305 HydrophobicContact CD2-CE2 3.93Å; L286-F305 HydrophobicContact CD2-CG 4.29Å; L286-F305 HydrophobicContact CD2-CZ 4Å; L286-L347 HydrophobicContact CD1-CD1 3.58Å; L286-F353 HydrophobicContact CB-CD1 4.29Å; L286-F353 HydrophobicContact CB-CD2 3.96Å; L286-F353 HydrophobicContact CB-CE1 4.01Å; L286-F353 HydrophobicContact CB-CE2 3.65Å; L286-F353 HydrophobicContact CB-CG 4.27Å; L286-F353 HydrophobicContact CB-CZ 3.67Å; L286-F353 HydrophobicContact CD1-CD1 3.89Å; L286-F353 HydrophobicContact CD1-CE1 4.22Å; L286-F353 HydrophobicContact CD1-CG 4.07Å; L286-I367 HydrophobicContact CD1-CD1 3.99Å; L286-I367 HydrophobicContact CD2-CD1 4.32Å
287S70.6Confident66.5Low26 Ų2654.7 Ų54.718%0.18231%0.305CS..Hα-helixtrans-66.7-36176.6-61.50000112.1V283 F284 Y285 L289 E290 F353V283-S287 VanDerWaalsContact O-CB 3.26Å; V283-S287 WeakPolarHBondContact O-CB 3.44Å; V283-S287 PolarHBondContact O-N 2.86Å; V283-S287 PolarHBondContact O-OG 2.65Å; F284-S287 PolarHBondContact O-N 3.48Å; Y285-S287 VanDerWaalsContact C-N 3.34Å; Y285-S287 PolarHBondContact O-N 2.88Å; S287-L289 VanDerWaalsContact C-N 3.34Å; S287-E290 WeakPolarHBondContact O-CB 3.36Å; S287-E290 PolarHBondContact O-N 2.94Å; S287-F353 WeakPolarHBondContact OG-CE2 3.37Å
288E67.3Low64.6Low112 Ų11258.3 Ų58.352%0.52333%0.33SS..Hα-helixtrans-69.5-33.4173.5-66.9-64.5113.300111.8F284 Y285 L286 E290 A291F284-E288 HydrophobicContact CE2-CG 4.31Å; F284-E288 HydrophobicContact CZ-CG 4.24Å; F284-E288 WeakPolarHBondContact O-CG 3.21Å; F284-E288 PolarHBondContact O-N 3.14Å; Y285-E288 PolarHBondContact O-N 2.91Å; L286-E288 VanDerWaalsContact C-N 3.34Å; E288-E290 VanDerWaalsContact C-N 3.33Å; E288-A291 PolarHBondContact O-N 3.03Å
289L63.1Low62.4Low26 Ų2662.8 Ų62.814%0.13635%0.354CS..Hα-helixtrans-69.3-26.1173.8-71.4-177.1000113.4V247 Y285 L286 S287 A291 S292 N293V247-L289 HydrophobicContact CB-CD1 4.4Å; V247-L289 HydrophobicContact CG1-CD1 4.4Å; V247-L289 HydrophobicContact CG2-CD1 4.15Å; Y285-L289 HydrophobicContact CD1-CD1 3.97Å; Y285-L289 HydrophobicContact CD1-CG 4.45Å; Y285-L289 HydrophobicContact CE1-CD1 3.31Å; Y285-L289 HydrophobicContact CE1-CG 3.98Å; Y285-L289 HydrophobicContact CE2-CG 4.47Å; Y285-L289 WeakPolarHBondContact O-CG 3.44Å; Y285-L289 PolarHBondContact O-N 3.31Å; Y285-L289 VanDerWaalsContact O-N 3.08Å; L286-L289 HydrophobicContact CD2-CD1 4.47Å; L286-L289 WeakPolarHBondContact O-CB 3.21Å; L286-L289 PolarHBondContact O-N 3.31Å; S287-L289 VanDerWaalsContact C-N 3.34Å; L289-A291 PolarHBondContact O-N 3.28Å; L289-S292 PolarHBondContact O-N 3.28Å; L289-N293 WeakPolarHBondContact O-CB 3.49Å; L289-N293 PolarHBondContact O-N 2.87Å
290E53.5Low60.5Low65 Ų6568.8 Ų68.830%0.30438%0.38SS..THydrogen-bonded Turntrans-60.3-25176-69.5-166.9122.900112.5K141 L286 S287 E288 A349 F353K141-E290 IonicContact NZ-OE2 2.63Å; K141-E290 PolarHBondContact NZ-OE2 3.15Å; L286-E290 PolarHBondContact O-N 3.17Å; L286-E290 VanDerWaalsContact O-N 3.1Å; S287-E290 WeakPolarHBondContact O-CB 3.36Å; S287-E290 PolarHBondContact O-N 2.94Å; E288-E290 VanDerWaalsContact C-N 3.33Å; E290-A349 WeakPolarHBondContact OE1-CB 3.5Å; E290-F353 HydrophobicContact CG-CE2 4.4Å; E290-F353 HydrophobicContact CG-CZ 3.92Å
291A45.2Very low59.2Low97 Ų9777.4 Ų77.480%0.80242%0.42SS*.THydrogen-bonded Turntrans-85.9-20.1-17700000114.2E288 L289E288-A291 PolarHBondContact O-N 3.03Å; L289-A291 PolarHBondContact O-N 3.28Å
292S47.5Very low58.2Low86 Ų8679.5 Ų79.560%0.60143%0.433SS*.THydrogen-bonded Turntrans-123.8-10.5-169.160.70000115.7L289 E294L289-S292 PolarHBondContact O-N 3.28Å; S292-E294 PolarHBondContact O-N 3.02Å
293N42.1Very low57.6Low76 Ų7687.8 Ų87.841%0.40646%0.464SS..  trans-98.695.3-174-92.2-25.2000113.4L289 V295L289-N293 WeakPolarHBondContact O-CB 3.49Å; L289-N293 PolarHBondContact O-N 2.87Å; N293-V295 PolarHBondContact O-N 3.25Å
294E47Very low57.7Low185 Ų18587.5 Ų87.586%0.86446%0.462SS*.  trans-57.1126.6154.2-72.8-178.916400109.3S292S292-E294 PolarHBondContact O-N 3.02Å
295V43.3Very low58.3Low77 Ų7786.3 Ų86.347%0.46746%0.457SS..  trans-76.8128.1172.4-164.70000107.3N293 N297N293-V295 PolarHBondContact O-N 3.25Å; V295-N297 VanDerWaalsContact CG1-O 3.23Å; V295-N297 WeakPolarHBondContact CG1-O 3.33Å; V295-N297 PolarHBondContact O-N 3.35Å
296T41.3Very low58.8Low128 Ų12884 Ų8479%0.78545%0.448SS*.SBendtrans-64.1-9.7176.1450000113.5
297N42Very low59.5Low91 Ų9184 Ų8449%0.48745%0.448SS..  trans-139.7118.8-178.1-155.7-16.9000110.7V295 D299V295-N297 VanDerWaalsContact CG1-O 3.23Å; V295-N297 WeakPolarHBondContact CG1-O 3.33Å; V295-N297 PolarHBondContact O-N 3.35Å; N297-D299 VanDerWaalsContact C-N 3.29Å; N297-D299 PolarHBondContact O-N 3.41Å
298T43.1Very low60.6Low118 Ų11882.8 Ų82.872%0.72444%0.439SS*.THydrogen-bonded Turntrans-78.3-8.5-174450000114.2F300T298-F300 PolarHBondContact O-N 3.37Å
299D42.6Very low61.8Low111 Ų11177.4 Ų77.459%0.59441%0.414SS*.THydrogen-bonded Turntrans-86.4-7.8-160.7-67.6-8.8000114.7N297N297-D299 VanDerWaalsContact C-N 3.29Å; N297-D299 PolarHBondContact O-N 3.41Å
300F48.1Very low63Low128 Ų12876.3 Ų76.356%0.56141%0.408SS*.  trans-145.490.6-179.1-59.8-79.7000111.7T298 T302T298-F300 PolarHBondContact O-N 3.37Å; F300-T302 VanDerWaalsContact C-N 3.34Å; F300-T302 PolarHBondContact O-N 3Å
301E52.5Low64.2Low191 Ų19174.8 Ų74.889%0.89340%0.4SS*.  trans-81.563.4-177.5-65.1-173.5150.500113.2
302T61.6Low65.4Low48 Ų4872 Ų7229%0.29437%0.37SS..  trans-102121.5157.8650000108.6F300 N304 R363 N364F300-T302 VanDerWaalsContact C-N 3.34Å; F300-T302 PolarHBondContact O-N 3Å; T302-N304 PolarHBondContact O-N 3.3Å; T302-N304 VanDerWaalsContact O-N 3.15Å; T302-R363 PolarHBondContact OG1-O 3.38Å; T302-N364 VanDerWaalsContact CB-OD1 3.27Å; T302-N364 WeakPolarHBondContact CB-OD1 3.49Å; T302-N364 PolarHBondContact OG1-OD1 3.07Å
303R74.5Confident65.8Low174 Ų17470 Ų7066%0.65736%0.355SS*.  trans-7921.1169.7-64.5-177-175.3-173.9-0.5111.5F305 A349R303-F305 VanDerWaalsContact O-CE2 3.29Å; R303-F305 WeakPolarHBondContact O-CE2 3.38Å; R303-A349 HydrophobicContact CB-CB 3.45Å; R303-A349 VanDerWaalsContact CB-CB 3.45Å; R303-A349 VanDerWaalsContact O-CB 3.26Å; R303-A349 WeakPolarHBondContact O-CB 3.47Å
304N85.5Confident66.4Low15 Ų1569.6 Ų69.68%0.0836%0.356CS..  trans-99.4159.9-169.6-61.2-12.2000111.2T302 E346 L347 Q348 A349 R365T302-N304 PolarHBondContact O-N 3.3Å; T302-N304 VanDerWaalsContact O-N 3.15Å; N304-E346 HydrophobicContact CB-CB 4.44Å; N304-E346 HydrophobicContact CB-CG 4.5Å; N304-E346 WeakPolarHBondContact CB-OE2 3.24Å; N304-E346 PolarHBondContact ND2-OE1 2.79Å; N304-E346 VanDerWaalsContact ND2-OE1 3.17Å; N304-E346 PolarHBondContact ND2-OE2 3.03Å; N304-L347 VanDerWaalsContact CA-O 3.22Å; N304-L347 WeakPolarHBondContact CA-O 3.12Å; N304-L347 WeakPolarHBondContact CB-O 3.38Å; N304-Q348 WeakPolarHBondContact OD1-CA 3.5Å; N304-A349 PolarHBondContact OD1-N 3.09Å; N304-R365 PolarHBondContact O-N 3.47Å
305F90.9Very high67Low10 Ų1068.8 Ų68.84%0.04435%0.345CS..EExtended strand (participates in β ladder)trans-132127.6-176.3-61.2-88.7000112.1V247 L286 R303 E346 L347 F353 R365 I367V247-F305 HydrophobicContact CG1-CD1 3.85Å; V247-F305 HydrophobicContact CG1-CE1 3.36Å; V247-F305 HydrophobicContact CG1-CZ 4.28Å; L286-F305 HydrophobicContact CD1-CD2 4.14Å; L286-F305 HydrophobicContact CD2-CD1 4.35Å; L286-F305 HydrophobicContact CD2-CD2 4.07Å; L286-F305 HydrophobicContact CD2-CE1 4.22Å; L286-F305 HydrophobicContact CD2-CE2 3.93Å; L286-F305 HydrophobicContact CD2-CG 4.29Å; L286-F305 HydrophobicContact CD2-CZ 4Å; R303-F305 VanDerWaalsContact O-CE2 3.29Å; R303-F305 WeakPolarHBondContact O-CE2 3.38Å; F305-E346 CarbonylContact O-C 3.45Å; F305-E346 VanDerWaalsContact O-CA 3.24Å; F305-E346 WeakPolarHBondContact O-CA 3.3Å; F305-L347 HydrophobicContact CB-CB 4.38Å; F305-L347 PolarHBondContact N-O 3.41Å; F305-L347 PolarHBondContact O-N 3.49Å; F305-F353 HydrophobicContact CD2-CD1 4.2Å; F305-F353 AromaticContact CD2-CE1 3.76Å; F305-F353 HydrophobicContact CD2-CE1 3.76Å; F305-F353 AromaticContact CE2-CE1 3.66Å; F305-F353 HydrophobicContact CE2-CE1 3.66Å; F305-F353 HydrophobicContact CE2-CZ 4.3Å; F305-R365 CarbonylContact C-O 3.55Å; F305-R365 WeakPolarHBondContact CA-O 3.41Å; F305-R365 HydrophobicContact CD1-CB 3.49Å; F305-R365 VanDerWaalsContact CD1-CB 3.49Å; F305-R365 HydrophobicContact CE1-CB 3.53Å; F305-R365 HydrophobicContact CE1-CG 4.3Å; F305-R365 HydrophobicContact CG-CB 4.45Å; F305-I367 HydrophobicContact CB-CD1 3.95Å; F305-I367 HydrophobicContact CB-CG1 4.05Å; F305-I367 HydrophobicContact CD1-CG1 4.35Å; F305-I367 HydrophobicContact CG-CD1 4.45Å; F305-I367 HydrophobicContact CG-CG1 4.44Å
306W93.5Very high68.1Low0 Ų070 Ų700%035%0.349CS..EExtended strand (participates in β ladder)trans-67.9139.1169.9-64.7126.2000111.8D252 Y254 L270 C344 E346 Q358 R359 T362 N364 R365 I367D252-W306 PolarHBondContact O-NE1 3.04Å; Y254-W306 HydrophobicContact CD2-CB 4.41Å; Y254-W306 HydrophobicContact CD2-CD2 4.11Å; Y254-W306 AromaticContact CD2-CE3 3.95Å; Y254-W306 HydrophobicContact CD2-CE3 3.95Å; Y254-W306 HydrophobicContact CD2-CG 4.35Å; L270-W306 HydrophobicContact CD2-CB 4.46Å; W306-C344 HydrophobicContact CE3-CB 4.24Å; W306-C344 HydrophobicContact CH2-CB 4.06Å; W306-C344 HydrophobicContact CZ3-CB 3.68Å; W306-E346 HydrophobicContact CE3-CB 3.79Å; W306-E346 HydrophobicContact CZ3-CB 3.79Å; W306-Q358 HydrophobicContact CH2-CB 3.71Å; W306-Q358 HydrophobicContact CH2-CG 3.65Å; W306-Q358 HydrophobicContact CZ2-CG 4.48Å; W306-Q358 HydrophobicContact CZ3-CB 3.9Å; W306-Q358 HydrophobicContact CZ3-CG 4.3Å; W306-R359 WeakPolarHBondContact CH2-O 3.43Å; W306-T362 VanDerWaalsContact CZ2-O 3.25Å; W306-T362 WeakPolarHBondContact CZ2-O 3.45Å; W306-T362 PolarHBondContact NE1-O 3.25Å; W306-N364 HydrophobicContact CD2-CB 4.21Å; W306-N364 VanDerWaalsContact CE2-ND2 3.27Å; W306-N364 HydrophobicContact CG-CB 4.16Å; W306-N364 HydrophobicContact CZ2-CB 4.49Å; W306-N364 WeakPolarHBondContact CZ2-ND2 3.1Å; W306-R365 PolarHBondContact N-O 3.09Å; W306-I367 PolarHBondContact O-N 3.21Å; W306-I367 VanDerWaalsContact O-N 3.07Å
307I95.4Very high69.6Low0 Ų065.3 Ų65.30%032%0.321CS..EExtended strand (participates in β ladder)trans-122.3163168.459.3167.8000109.2Y254 A271 I273 L309 W320 V345 L347 W355 I367Y254-I307 WeakPolarHBondContact CE2-O 3.42Å; A271-I307 HydrophobicContact CB-CG2 4.43Å; I273-I307 HydrophobicContact CD1-CD1 4.2Å; I273-I307 HydrophobicContact CD1-CG2 4.15Å; I307-L309 HydrophobicContact CD1-CB 4.38Å; I307-L309 HydrophobicContact CG1-CB 4.4Å; I307-L309 PolarHBondContact O-N 3.17Å; I307-W320 HydrophobicContact CD1-CH2 4.41Å; I307-W320 HydrophobicContact CD1-CZ3 4.32Å; I307-V345 HydrophobicContact CD1-CB 4.41Å; I307-V345 HydrophobicContact CD1-CG1 3.85Å; I307-V345 HydrophobicContact CG1-CB 4.17Å; I307-V345 HydrophobicContact CG1-CG1 4.03Å; I307-V345 WeakPolarHBondContact CG1-O 3.46Å; I307-V345 PolarHBondContact N-O 2.93Å; I307-L347 HydrophobicContact CD1-CD2 4.11Å; I307-L347 HydrophobicContact CG2-CD1 3.93Å; I307-L347 HydrophobicContact CG2-CD2 4.07Å; I307-L347 HydrophobicContact CG2-CG 3.73Å; I307-W355 HydrophobicContact CD1-CD2 4.09Å; I307-W355 HydrophobicContact CD1-CG 4.29Å; I307-I367 HydrophobicContact CG2-CD1 4.37Å
308G93.6Very high71.5Confident0 Ų062 Ų620%030%0.303CS..EExtended strand (participates in β ladder)trans-78.437.3-168.600000115.1Y254 A271 W320 D321Y254-G308 VanDerWaalsContact OH-C 3.28Å; A271-G308 PolarHBondContact O-N 2.88Å; G308-W320 CarbonylContact O-C 3.54Å; G308-W320 VanDerWaalsContact O-CA 3.28Å; G308-W320 WeakPolarHBondContact O-CA 3.24Å; G308-D321 PolarHBondContact O-N 2.7Å
309L92.3Very high73.4Confident0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-116.4126.8-175.5-173.264.4000110.4Y254 I307 F318 R319 W320 L326 F331 V345 W355Y254-L309 PolarHBondContact OH-N 3.35Å; I307-L309 HydrophobicContact CD1-CB 4.38Å; I307-L309 HydrophobicContact CG1-CB 4.4Å; I307-L309 PolarHBondContact O-N 3.17Å; L309-F318 HydrophobicContact CD1-CB 3.92Å; L309-F318 HydrophobicContact CD2-CB 4.47Å; L309-F318 HydrophobicContact CD2-CD1 4.36Å; L309-F318 HydrophobicContact CG-CB 4.25Å; L309-F318 HydrophobicContact CG-CD1 4.08Å; L309-R319 VanDerWaalsContact CD1-C 3.49Å; L309-R319 WeakPolarHBondContact CD1-O 3.5Å; L309-W320 HydrophobicContact CB-CE3 3.8Å; L309-W320 HydrophobicContact CB-CH2 4.2Å; L309-W320 HydrophobicContact CB-CZ3 3.59Å; L309-W320 HydrophobicContact CD1-CD2 3.91Å; L309-W320 HydrophobicContact CD1-CE3 3.97Å; L309-W320 HydrophobicContact CD1-CG 4.38Å; L309-W320 HydrophobicContact CD1-CH2 4.42Å; L309-W320 HydrophobicContact CD1-CZ2 4.41Å; L309-W320 HydrophobicContact CD1-CZ3 4.24Å; L309-W320 HydrophobicContact CD2-CH2 4.17Å; L309-W320 HydrophobicContact CD2-CZ3 4.41Å; L309-W320 HydrophobicContact CG-CE3 4.43Å; L309-W320 HydrophobicContact CG-CZ3 4.3Å; L309-L326 HydrophobicContact CD1-CD1 3.9Å; L309-L326 HydrophobicContact CD2-CD1 3.9Å; L309-L326 HydrophobicContact CD2-CD2 4.26Å; L309-F331 HydrophobicContact CD2-CZ 4.25Å; L309-V345 HydrophobicContact CB-CB 3.94Å; L309-V345 HydrophobicContact CB-CG2 3.99Å; L309-V345 HydrophobicContact CD2-CB 4.3Å; L309-V345 HydrophobicContact CD2-CG1 4.32Å; L309-V345 HydrophobicContact CD2-CG2 3.91Å; L309-V345 HydrophobicContact CG-CB 4.3Å; L309-V345 HydrophobicContact CG-CG2 3.84Å; L309-V345 WeakPolarHBondContact O-CB 3.33Å; L309-V345 WeakPolarHBondContact O-CG2 3.45Å; L309-V345 PolarHBondContact O-N 3.49Å; L309-W355 HydrophobicContact CD2-CE3 3.75Å; L309-W355 HydrophobicContact CD2-CH2 4.42Å; L309-W355 HydrophobicContact CD2-CZ3 3.51Å
310T87.4Confident75.7Confident2 Ų253.5 Ų53.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-128.5147.817644.90000112.4Y254 K312 F318 R319 N343 C344Y254-T310 HydrophobicContact CD1-CG2 4.22Å; Y254-T310 HydrophobicContact CE1-CG2 3.5Å; Y254-T310 VanDerWaalsContact CE1-CG2 3.5Å; Y254-T310 HydrophobicContact CE2-CG2 3.92Å; Y254-T310 WeakPolarHBondContact OH-CG2 3.34Å; T310-K312 VanDerWaalsContact OG1-CE 3.3Å; T310-K312 WeakPolarHBondContact OG1-CE 3.32Å; T310-F318 CarbonylContact O-C 3.52Å; T310-F318 WeakPolarHBondContact O-CA 3.31Å; T310-R319 PolarHBondContact N-O 2.79Å; T310-R319 PolarHBondContact O-N 3.01Å; T310-N343 CarbonylContact C-O 3.49Å; T310-N343 WeakPolarHBondContact CA-O 3.32Å; T310-N343 VanDerWaalsContact CB-O 3.24Å; T310-N343 WeakPolarHBondContact CB-O 3.37Å; T310-N343 WeakPolarHBondContact CG2-O 3.33Å; T310-C344 HydrophobicContact CG2-CB 4.46Å
311Y79.3Confident77.3Confident33 Ų3348.7 Ų48.713%0.12923%0.229CC..EExtended strand (participates in β ladder)trans-77.4131.4167.7-167.2-110.8000109.9P313 D316 F318 N343Y311-P313 HydrophobicContact CD1-CG 4.04Å; Y311-P313 HydrophobicContact CE1-CG 4.33Å; Y311-P313 WeakPolarHBondContact O-CD 3.09Å; Y311-D316 PolarHBondContact OH-OD1 2.97Å; Y311-F318 HydrophobicContact CD2-CD1 4.17Å; Y311-F318 AromaticContact CD2-CD2 3.63Å; Y311-F318 HydrophobicContact CD2-CD2 3.63Å; Y311-F318 HydrophobicContact CD2-CE1 4.03Å; Y311-F318 AromaticContact CD2-CE2 3.41Å; Y311-F318 HydrophobicContact CD2-CE2 3.41Å; Y311-F318 VanDerWaalsContact CD2-CE2 3.41Å; Y311-F318 AromaticContact CD2-CG 3.99Å; Y311-F318 HydrophobicContact CD2-CG 3.99Å; Y311-F318 AromaticContact CD2-CZ 3.64Å; Y311-F318 HydrophobicContact CD2-CZ 3.64Å; Y311-F318 HydrophobicContact CE2-CD2 4.16Å; Y311-F318 AromaticContact CE2-CE2 3.94Å; Y311-F318 HydrophobicContact CE2-CE2 3.94Å; Y311-F318 HydrophobicContact CG-CE1 4.33Å; Y311-F318 HydrophobicContact CG-CE2 4.36Å; Y311-F318 HydrophobicContact CG-CZ 4.16Å; Y311-N343 PolarHBondContact N-O 2.97Å
312K69.9Low78.5Confident40 Ų4043.2 Ų43.217%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-111.597.3177.1-61.1-61.4-176178.80109.5E211 T310 R315 D316 S317 R319E211-K312 WeakPolarHBondContact OE1-CD 2.96Å; E211-K312 WeakPolarHBondContact OE1-CE 3.44Å; E211-K312 IonicContact OE1-NZ 3.25Å; E211-K312 PolarHBondContact OE1-NZ 3.27Å; E211-K312 IonicContact OE2-NZ 3.57Å; E211-K312 PolarHBondContact OE2-NZ 2.87Å; T310-K312 VanDerWaalsContact OG1-CE 3.3Å; T310-K312 WeakPolarHBondContact OG1-CE 3.32Å; K312-R315 HydrophobicContact CB-CB 4.45Å; K312-R315 CarbonylContact O-C 3.4Å; K312-R315 PolarHBondContact O-N 3.07Å; K312-D316 PolarHBondContact O-N 3.32Å; K312-S317 PolarHBondContact N-O 3.35Å; K312-S317 PolarHBondContact O-N 3.29Å; K312-R319 HydrophobicContact CG-CB 4.11Å; K312-R319 HydrophobicContact CG-CG 4.17Å
313P56.2Low79.1Confident44 Ų4442.8 Ų42.829%0.28621%0.214SC..G310 helixtrans-53.5-38.9-177.5-26.536000115.5E210 Y311 R315 D316E210-P313 VanDerWaalsContact O-CB 3.31Å; E210-P313 WeakPolarHBondContact O-CB 3.42Å; E210-P313 WeakPolarHBondContact O-CD 3.44Å; E210-P313 WeakPolarHBondContact O-CG 3.43Å; Y311-P313 HydrophobicContact CD1-CG 4.04Å; Y311-P313 HydrophobicContact CE1-CG 4.33Å; Y311-P313 WeakPolarHBondContact O-CD 3.09Å; P313-R315 PolarHBondContact O-N 3.02Å; P313-D316 PolarHBondContact O-N 3.08Å
314P53.6Low79.4Confident66 Ų6639.6 Ų39.643%0.42921%0.207SC..G310 helixtrans-62.5-27.7178.8-23.333.2000113.9E210E210-P314 HydrophobicContact CB-CG 3.48Å; E210-P314 VanDerWaalsContact CB-CG 3.48Å; E210-P314 HydrophobicContact CG-CG 3.67Å; E210-P314 WeakPolarHBondContact OE2-CG 3.37Å
315R60.1Low78.9Confident168 Ų16843.4 Ų43.463%0.63423%0.227SC*.G310 helixtrans-107.33.4-176.3-59-176.6179.9-104.75.2111.9K312 P313 S317K312-R315 HydrophobicContact CB-CB 4.45Å; K312-R315 CarbonylContact O-C 3.4Å; K312-R315 PolarHBondContact O-N 3.07Å; P313-R315 PolarHBondContact O-N 3.02Å; R315-S317 WeakPolarHBondContact CB-OG 3.42Å; R315-S317 WeakPolarHBondContact O-CB 3.41Å; R315-S317 PolarHBondContact O-N 2.73Å; R315-S317 PolarHBondContact O-OG 3.19Å
316D66.4Low78.5Confident103 Ų10345.3 Ų45.355%0.55124%0.237SC*.THydrogen-bonded Turntrans43.236.4-176.4-156.848.7000113.5Y311 K312 P313Y311-D316 PolarHBondContact OH-OD1 2.97Å; K312-D316 PolarHBondContact O-N 3.32Å; P313-D316 PolarHBondContact O-N 3.08Å
317S73.1Confident77.8Confident29 Ų2956.5 Ų56.520%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-146.4148.2-169.946.70000112.9K312 R315K312-S317 PolarHBondContact N-O 3.35Å; K312-S317 PolarHBondContact O-N 3.29Å; R315-S317 WeakPolarHBondContact CB-OG 3.42Å; R315-S317 WeakPolarHBondContact O-CB 3.41Å; R315-S317 PolarHBondContact O-N 2.73Å; R315-S317 PolarHBondContact O-OG 3.19Å
318F81.6Confident77.3Confident21 Ų2157.6 Ų57.69%0.09228%0.284CS..EExtended strand (participates in β ladder)trans-75.7138.9166.7-75.8-85000110.5L309 T310 Y311 L326 F331 P336 V345 D357L309-F318 HydrophobicContact CD1-CB 3.92Å; L309-F318 HydrophobicContact CD2-CB 4.47Å; L309-F318 HydrophobicContact CD2-CD1 4.36Å; L309-F318 HydrophobicContact CG-CB 4.25Å; L309-F318 HydrophobicContact CG-CD1 4.08Å; T310-F318 CarbonylContact O-C 3.52Å; T310-F318 WeakPolarHBondContact O-CA 3.31Å; Y311-F318 HydrophobicContact CD2-CD1 4.17Å; Y311-F318 AromaticContact CD2-CD2 3.63Å; Y311-F318 HydrophobicContact CD2-CD2 3.63Å; Y311-F318 HydrophobicContact CD2-CE1 4.03Å; Y311-F318 AromaticContact CD2-CE2 3.41Å; Y311-F318 HydrophobicContact CD2-CE2 3.41Å; Y311-F318 VanDerWaalsContact CD2-CE2 3.41Å; Y311-F318 AromaticContact CD2-CG 3.99Å; Y311-F318 HydrophobicContact CD2-CG 3.99Å; Y311-F318 AromaticContact CD2-CZ 3.64Å; Y311-F318 HydrophobicContact CD2-CZ 3.64Å; Y311-F318 HydrophobicContact CE2-CD2 4.16Å; Y311-F318 AromaticContact CE2-CE2 3.94Å; Y311-F318 HydrophobicContact CE2-CE2 3.94Å; Y311-F318 HydrophobicContact CG-CE1 4.33Å; Y311-F318 HydrophobicContact CG-CE2 4.36Å; Y311-F318 HydrophobicContact CG-CZ 4.16Å; F318-L326 HydrophobicContact CB-CB 4.28Å; F318-L326 HydrophobicContact CB-CD2 3.75Å; F318-L326 HydrophobicContact CG-CD2 4.4Å; F318-F331 AromaticContact CD1-CZ 3.97Å; F318-F331 HydrophobicContact CD1-CZ 3.97Å; F318-F331 HydrophobicContact CD2-CE2 4.24Å; F318-F331 HydrophobicContact CD2-CZ 4.15Å; F318-F331 HydrophobicContact CE1-CE1 4.36Å; F318-F331 AromaticContact CE1-CZ 3.74Å; F318-F331 HydrophobicContact CE1-CZ 3.74Å; F318-F331 HydrophobicContact CE2-CE2 4.31Å; F318-F331 AromaticContact CE2-CZ 3.97Å; F318-F331 HydrophobicContact CE2-CZ 3.97Å; F318-F331 HydrophobicContact CG-CE2 4.46Å; F318-F331 HydrophobicContact CG-CZ 4.17Å; F318-F331 HydrophobicContact CZ-CE1 4.29Å; F318-F331 AromaticContact CZ-CZ 3.75Å; F318-F331 HydrophobicContact CZ-CZ 3.75Å; F318-P336 HydrophobicContact CE2-CB 3.94Å; F318-P336 HydrophobicContact CE2-CG 3.45Å; F318-P336 VanDerWaalsContact CE2-CG 3.45Å; F318-P336 HydrophobicContact CZ-CB 3.57Å; F318-P336 HydrophobicContact CZ-CG 3.65Å; F318-V345 HydrophobicContact CD1-CG2 3.87Å; F318-V345 HydrophobicContact CE1-CG2 3.62Å; F318-D357 HydrophobicContact CZ-CB 4.48Å
319R83.9Confident76.7Confident47 Ų4761 Ų6118%0.17731%0.307CS..EExtended strand (participates in β ladder)trans-139138.8-179.4-66-171.4173.1-105-2.4111.2L309 T310 K312 G323 E324 L325L309-R319 VanDerWaalsContact CD1-C 3.49Å; L309-R319 WeakPolarHBondContact CD1-O 3.5Å; T310-R319 PolarHBondContact N-O 2.79Å; T310-R319 PolarHBondContact O-N 3.01Å; K312-R319 HydrophobicContact CG-CB 4.11Å; K312-R319 HydrophobicContact CG-CG 4.17Å; R319-G323 PolarHBondContact NH1-O 2.04Å; R319-E324 WeakPolarHBondContact CA-O 3.48Å; R319-L325 VanDerWaalsContact NH2-CD2 3.33Å
320W89.2Confident76.3Confident4 Ų461.4 Ų61.42%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-65.2155.7170.5-63.2114.4000110.1E272 I273 H274 I307 G308 L309 T322 G323 E324 L326 W355E272-W320 HydrophobicContact CB-CD2 4.01Å; E272-W320 HydrophobicContact CB-CE3 3.79Å; E272-W320 HydrophobicContact CB-CZ3 4.15Å; E272-W320 HydrophobicContact CG-CB 4.3Å; E272-W320 HydrophobicContact CG-CD2 4.09Å; E272-W320 HydrophobicContact CG-CE3 3.75Å; E272-W320 HydrophobicContact CG-CG 4.34Å; E272-W320 HydrophobicContact CG-CZ3 4.47Å; I273-W320 HydrophobicContact CB-CH2 4Å; I273-W320 WeakPolarHBondContact O-CZ2 3.36Å; H274-W320 AromaticContact CE1-CD1 3.38Å; H274-W320 AromaticContact CE1-CE2 3.99Å; H274-W320 AromaticContact CE1-NE1 3.3Å; H274-W320 PolarHBondContact CE1-NE1 2.98Å; H274-W320 VanDerWaalsContact CE1-NE1 3.3Å; H274-W320 AromaticContact ND1-CD1 3.94Å; H274-W320 AromaticContact ND1-NE1 3.42Å; H274-W320 PolarHBondContact ND1-NE1 2.91Å; I307-W320 HydrophobicContact CD1-CH2 4.41Å; I307-W320 HydrophobicContact CD1-CZ3 4.32Å; G308-W320 CarbonylContact O-C 3.54Å; G308-W320 VanDerWaalsContact O-CA 3.28Å; G308-W320 WeakPolarHBondContact O-CA 3.24Å; L309-W320 HydrophobicContact CB-CE3 3.8Å; L309-W320 HydrophobicContact CB-CH2 4.2Å; L309-W320 HydrophobicContact CB-CZ3 3.59Å; L309-W320 HydrophobicContact CD1-CD2 3.91Å; L309-W320 HydrophobicContact CD1-CE3 3.97Å; L309-W320 HydrophobicContact CD1-CG 4.38Å; L309-W320 HydrophobicContact CD1-CH2 4.42Å; L309-W320 HydrophobicContact CD1-CZ2 4.41Å; L309-W320 HydrophobicContact CD1-CZ3 4.24Å; L309-W320 HydrophobicContact CD2-CH2 4.17Å; L309-W320 HydrophobicContact CD2-CZ3 4.41Å; L309-W320 HydrophobicContact CG-CE3 4.43Å; L309-W320 HydrophobicContact CG-CZ3 4.3Å; W320-T322 PolarHBondContact O-N 2.78Å; W320-G323 WeakPolarHBondContact O-CA 3.42Å; W320-G323 PolarHBondContact O-N 2.79Å; W320-E324 HydrophobicContact CB-CB 4.36Å; W320-E324 PolarHBondContact N-O 2.96Å; W320-E324 VanDerWaalsContact N-O 3.09Å; W320-L326 HydrophobicContact CZ2-CD1 3.64Å; W320-W355 AromaticContact CH2-CH2 3.86Å; W320-W355 HydrophobicContact CH2-CH2 3.86Å; W320-W355 HydrophobicContact CH2-CZ2 4.35Å; W320-W355 HydrophobicContact CH2-CZ3 4.39Å; W320-W355 HydrophobicContact CZ2-CH2 4.01Å
321D82Confident75.9Confident27 Ų2762.8 Ų62.814%0.14432%0.317CS..THydrogen-bonded Turntrans-61.8-23.9-179.8-87.5-24.5000113Y254 K258 G308 G323Y254-D321 PolarHBondContact OH-OD1 2.88Å; Y254-D321 PolarHBondContact OH-OD2 2.63Å; K258-D321 VanDerWaalsContact CD-OD2 3.32Å; K258-D321 WeakPolarHBondContact CD-OD2 3.5Å; K258-D321 WeakPolarHBondContact CE-OD1 3.47Å; K258-D321 WeakPolarHBondContact CE-OD2 3.48Å; K258-D321 IonicContact NZ-OD1 3.86Å; K258-D321 PolarHBondContact NZ-OD1 2.78Å; K258-D321 IonicContact NZ-OD2 3.91Å; G308-D321 PolarHBondContact O-N 2.7Å; D321-G323 PolarHBondContact O-N 3.15Å
322T78.4Confident75.5Confident77 Ų7761.3 Ų61.347%0.47231%0.311SS..THydrogen-bonded Turntrans-72.3-11.9169.349.40000113.8T269 E272 W320T269-T322 HydrophobicContact CG2-CG2 4.42Å; E272-T322 VanDerWaalsContact OE1-CB 3.28Å; E272-T322 WeakPolarHBondContact OE1-CB 3.22Å; E272-T322 WeakPolarHBondContact OE1-CG2 3.3Å; E272-T322 PolarHBondContact OE1-N 2.89Å; E272-T322 PolarHBondContact OE1-OG1 3.42Å; E272-T322 PolarHBondContact OE2-OG1 3.27Å; W320-T322 PolarHBondContact O-N 2.78Å
323G74Confident74.9Confident39 Ų3961.5 Ų61.540%0.40231%0.312SS..SBendtrans96.4-6.2-179.800000114.5R319 W320 D321R319-G323 PolarHBondContact NH1-O 2.04Å; W320-G323 WeakPolarHBondContact O-CA 3.42Å; W320-G323 PolarHBondContact O-N 2.79Å; D321-G323 PolarHBondContact O-N 3.15Å
324E80.7Confident74.8Confident106 Ų10660.1 Ų60.150%0.49531%0.306SS..  trans-63.1150.8179.7-65.1-165.716900112.8H274 R319 W320H274-E324 IonicContact CE1-OE2 2.73Å; H274-E324 PolarHBondContact CE1-OE2 2.6Å; H274-E324 VanDerWaalsContact CE1-OE2 3.25Å; H274-E324 IonicContact NE2-OE2 3.77Å; R319-E324 WeakPolarHBondContact CA-O 3.48Å; W320-E324 HydrophobicContact CB-CB 4.36Å; W320-E324 PolarHBondContact N-O 2.96Å; W320-E324 VanDerWaalsContact N-O 3.09Å
325L74.6Confident75.5Confident96 Ų9658.1 Ų58.150%0.50329%0.291SS..BIsolated β-bridgetrans-77.4143.5178-75.2170.4000111R319 R327R319-L325 VanDerWaalsContact NH2-CD2 3.33Å; L325-R327 PolarHBondContact O-N 3.3Å; L325-R327 VanDerWaalsContact O-N 3.15Å
326L82.8Confident76.1Confident49 Ų4952.6 Ų52.626%0.25728%0.276SS..  trans-68.4111.3174.1-166.164.5000111.1L309 F318 W320 F328 F331 W355L309-L326 HydrophobicContact CD1-CD1 3.9Å; L309-L326 HydrophobicContact CD2-CD1 3.9Å; L309-L326 HydrophobicContact CD2-CD2 4.26Å; F318-L326 HydrophobicContact CB-CB 4.28Å; F318-L326 HydrophobicContact CB-CD2 3.75Å; F318-L326 HydrophobicContact CG-CD2 4.4Å; W320-L326 HydrophobicContact CZ2-CD1 3.64Å; L326-F328 WeakPolarHBondContact CD1-O 3.01Å; L326-F328 VanDerWaalsContact CG-O 3.32Å; L326-F328 WeakPolarHBondContact CG-O 2.93Å; L326-F331 HydrophobicContact CD2-CE2 4.14Å; L326-W355 HydrophobicContact CD1-CH2 4.3Å; L326-W355 HydrophobicContact CD1-CZ3 4Å; L326-W355 HydrophobicContact CD2-CZ3 4.49Å
327R79.7Confident75.8Confident236 Ų23648 Ų4889%0.89125%0.252SS*.  trans-103.6-22.3175.5-66.3-177178.7174.71.7113.8L325L325-R327 PolarHBondContact O-N 3.3Å; L325-R327 VanDerWaalsContact O-N 3.15Å
328F84.2Confident75.3Confident23 Ų2347.5 Ų47.510%0.10125%0.247CC..  trans-129.8141.9177.8167.5-98.6000108.4I273 H274 Q276 Q279 L326 W355I273-F328 HydrophobicContact CG2-CD1 4.28Å; I273-F328 HydrophobicContact CG2-CE1 3.91Å; I273-F328 WeakPolarHBondContact O-CD1 3.38Å; H274-F328 WeakPolarHBondContact O-CB 3.24Å; Q276-F328 VanDerWaalsContact CA-CZ 3.5Å; Q276-F328 HydrophobicContact CB-CE2 3.82Å; Q276-F328 HydrophobicContact CB-CZ 4.03Å; Q276-F328 VanDerWaalsContact OE1-CE2 3.25Å; Q276-F328 VanDerWaalsContact OE1-CZ 3.27Å; Q279-F328 HydrophobicContact CB-CE1 4.03Å; Q279-F328 HydrophobicContact CB-CZ 4.08Å; L326-F328 WeakPolarHBondContact CD1-O 3.01Å; L326-F328 VanDerWaalsContact CG-O 3.32Å; L326-F328 WeakPolarHBondContact CG-O 2.93Å; F328-W355 AromaticContact CD1-CH2 3.95Å; F328-W355 HydrophobicContact CD1-CH2 3.95Å; F328-W355 HydrophobicContact CD1-CZ2 4.05Å; F328-W355 HydrophobicContact CE1-CH2 4.16Å; F328-W355 AromaticContact CE1-CZ2 3.81Å; F328-W355 HydrophobicContact CE1-CZ2 3.81Å; F328-W355 WeakPolarHBondContact O-CH2 3.05Å
329S82.1Confident73.8Confident70 Ų7052.5 Ų52.549%0.4927%0.27SS..  trans-139.9138175.868.90000111.9W355S329-W355 VanDerWaalsContact CA-CZ3 3.49Å
330S83.3Confident72.1Confident10 Ų1050.5 Ų50.57%0.0727%0.265CS..  trans-120.435.5173.6-149.90000112.4A332 N354 W355S330-A332 PolarHBondContact O-N 3.42Å; S330-N354 CarbonylContact O-C 3.47Å; S330-N354 WeakPolarHBondContact O-CA 3.23Å; S330-N354 WeakPolarHBondContact O-CB 3.21Å; S330-N354 PolarHBondContact O-ND2 3.23Å; S330-W355 PolarHBondContact O-N 2.89Å
331F79.3Confident70.5Confident31 Ų3153.4 Ų53.414%0.13628%0.278CS..BIsolated β-bridgetrans-53.4136.4175.1-76.3-74.8000111.4L309 F318 L326 Q335 P336 V345 W355L309-F331 HydrophobicContact CD2-CZ 4.25Å; F318-F331 AromaticContact CD1-CZ 3.97Å; F318-F331 HydrophobicContact CD1-CZ 3.97Å; F318-F331 HydrophobicContact CD2-CE2 4.24Å; F318-F331 HydrophobicContact CD2-CZ 4.15Å; F318-F331 HydrophobicContact CE1-CE1 4.36Å; F318-F331 AromaticContact CE1-CZ 3.74Å; F318-F331 HydrophobicContact CE1-CZ 3.74Å; F318-F331 HydrophobicContact CE2-CE2 4.31Å; F318-F331 AromaticContact CE2-CZ 3.97Å; F318-F331 HydrophobicContact CE2-CZ 3.97Å; F318-F331 HydrophobicContact CG-CE2 4.46Å; F318-F331 HydrophobicContact CG-CZ 4.17Å; F318-F331 HydrophobicContact CZ-CE1 4.29Å; F318-F331 AromaticContact CZ-CZ 3.75Å; F318-F331 HydrophobicContact CZ-CZ 3.75Å; L326-F331 HydrophobicContact CD2-CE2 4.14Å; F331-Q335 HydrophobicContact CB-CB 4.15Å; F331-Q335 HydrophobicContact CD1-CB 4.01Å; F331-P336 HydrophobicContact CD1-CB 4.14Å; F331-P336 HydrophobicContact CD1-CG 4.39Å; F331-P336 HydrophobicContact CE1-CB 3.89Å; F331-P336 HydrophobicContact CE1-CG 4.24Å; F331-P336 HydrophobicContact CE2-CG 4.44Å; F331-P336 HydrophobicContact CZ-CB 4.31Å; F331-P336 HydrophobicContact CZ-CG 4.27Å; F331-V345 HydrophobicContact CE1-CG1 4.03Å; F331-V345 HydrophobicContact CE1-CG2 4.02Å; F331-V345 HydrophobicContact CZ-CG1 4.41Å; F331-V345 HydrophobicContact CZ-CG2 3.97Å; F331-W355 CarbonylContact C-O 3.42Å; F331-W355 WeakPolarHBondContact CA-O 3.09Å; F331-W355 HydrophobicContact CD1-CB 3.74Å; F331-W355 HydrophobicContact CD2-CE3 4.09Å; F331-W355 HydrophobicContact CE1-CB 4.09Å; F331-W355 AromaticContact CE2-CE3 3.95Å; F331-W355 HydrophobicContact CE2-CE3 3.95Å; F331-W355 HydrophobicContact CE2-CZ3 4.42Å; F331-W355 HydrophobicContact CG-CB 4.2Å; F331-W355 HydrophobicContact CG-CE3 4.42Å; F331-W355 HydrophobicContact CZ-CE3 4.18Å
332A69.6Low69.4Low1 Ų152.1 Ų52.11%0.00827%0.271CS..PPolyproline II helixtrans-61.5155.217200000108.7S330 G334 Q335 N354 W355S330-A332 PolarHBondContact O-N 3.42Å; A332-G334 PolarHBondContact O-N 3.25Å; A332-Q335 HydrophobicContact CB-CB 4.4Å; A332-Q335 HydrophobicContact CB-CG 3.89Å; A332-Q335 WeakPolarHBondContact O-CA 3.47Å; A332-Q335 WeakPolarHBondContact O-CB 3.38Å; A332-Q335 PolarHBondContact O-N 3.39Å; A332-N354 HydrophobicContact CB-CB 3.71Å; A332-W355 PolarHBondContact N-O 3.05Å
333F57.2Low69.2Low44 Ų4448.8 Ų48.819%0.19325%0.25CS..THydrogen-bonded Turntrans-58.6137.6177.6174.7-92.1000111.2L151 W152 I161 P162 Q335L151-F333 HydrophobicContact CB-CD1 4.22Å; L151-F333 WeakPolarHBondContact O-CD1 3.41Å; L151-F333 WeakPolarHBondContact O-CE1 3.27Å; W152-F333 HydrophobicContact CD2-CB 3.32Å; W152-F333 HydrophobicContact CD2-CG 4.1Å; W152-F333 HydrophobicContact CE3-CB 3.79Å; W152-F333 HydrophobicContact CE3-CG 4.3Å; W152-F333 HydrophobicContact CG-CB 3.79Å; W152-F333 HydrophobicContact CG-CG 4.4Å; W152-F333 HydrophobicContact CH2-CB 3.91Å; W152-F333 HydrophobicContact CZ2-CB 3.46Å; W152-F333 VanDerWaalsContact CZ2-CB 3.46Å; W152-F333 HydrophobicContact CZ3-CB 4.07Å; I161-F333 HydrophobicContact CB-CD2 4.23Å; I161-F333 HydrophobicContact CG1-CD2 4.29Å; I161-F333 HydrophobicContact CG2-CD2 3.83Å; I161-F333 HydrophobicContact CG2-CE2 3.75Å; P162-F333 HydrophobicContact CB-CZ 4.14Å; P162-F333 VanDerWaalsContact CD-CD2 3.5Å; P162-F333 HydrophobicContact CG-CD1 4.45Å; P162-F333 HydrophobicContact CG-CE1 3.58Å; P162-F333 HydrophobicContact CG-CE2 3.85Å; P162-F333 HydrophobicContact CG-CZ 3.25Å; F333-Q335 PolarHBondContact O-N 2.67Å
334G55.6Low69.8Low15 Ų1546.9 Ų46.916%0.15523%0.231CC..THydrogen-bonded Turntrans82-9.3-175.800000113.9R192 A332 D337R192-G334 PolarHBondContact NH1-O 2.9Å; A332-G334 PolarHBondContact O-N 3.25Å; G334-D337 WeakPolarHBondContact O-CB 3.36Å
335Q67.7Low70.4Confident25 Ų2541.9 Ų41.912%0.11721%0.207CC..  trans-96.3155.8173.8-56.1-57.5-2600111.4F331 A332 F333 D337 N356 D357F331-Q335 HydrophobicContact CB-CB 4.15Å; F331-Q335 HydrophobicContact CD1-CB 4.01Å; A332-Q335 HydrophobicContact CB-CB 4.4Å; A332-Q335 HydrophobicContact CB-CG 3.89Å; A332-Q335 WeakPolarHBondContact O-CA 3.47Å; A332-Q335 WeakPolarHBondContact O-CB 3.38Å; A332-Q335 PolarHBondContact O-N 3.39Å; F333-Q335 PolarHBondContact O-N 2.67Å; Q335-D337 VanDerWaalsContact CD-CG 3.5Å; Q335-D337 PolarHBondContact NE2-OD2 3.39Å; Q335-D337 PolarHBondContact OE1-OD1 3.45Å; Q335-N356 HydrophobicContact CG-CB 4.38Å; Q335-N356 WeakPolarHBondContact CG-OD1 3.43Å; Q335-N356 PolarHBondContact NE2-OD1 3.1Å; Q335-N356 PolarHBondContact OE1-OD1 2.84Å; Q335-D357 PolarHBondContact OE1-OD1 3.37Å
336P72.8Confident71.2Confident51 Ų5137.3 Ų37.333%0.33118%0.183SC..  cis-70.4133.9-8.126.4-28.6000111.8F318 F331 D357F318-P336 HydrophobicContact CE2-CB 3.94Å; F318-P336 HydrophobicContact CE2-CG 3.45Å; F318-P336 VanDerWaalsContact CE2-CG 3.45Å; F318-P336 HydrophobicContact CZ-CB 3.57Å; F318-P336 HydrophobicContact CZ-CG 3.65Å; F331-P336 HydrophobicContact CD1-CB 4.14Å; F331-P336 HydrophobicContact CD1-CG 4.39Å; F331-P336 HydrophobicContact CE1-CB 3.89Å; F331-P336 HydrophobicContact CE1-CG 4.24Å; F331-P336 HydrophobicContact CE2-CG 4.44Å; F331-P336 HydrophobicContact CZ-CB 4.31Å; F331-P336 HydrophobicContact CZ-CG 4.27Å; P336-D357 WeakPolarHBondContact CA-OD1 3.3Å; P336-D357 HydrophobicContact CB-CB 3.98Å; P336-D357 WeakPolarHBondContact CB-OD1 3.5Å
337D60.8Low71.6Confident8 Ų835 Ų354%0.04317%0.171CC..  trans-113.50-176.178.89.4000115.2R192 G334 Q335 Q339 D357R192-D337 WeakPolarHBondContact CB-O 3.48Å; R192-D337 WeakPolarHBondContact CD-O 3.2Å; G334-D337 WeakPolarHBondContact O-CB 3.36Å; Q335-D337 VanDerWaalsContact CD-CG 3.5Å; Q335-D337 PolarHBondContact NE2-OD2 3.39Å; Q335-D337 PolarHBondContact OE1-OD1 3.45Å; D337-Q339 PolarHBondContact O-N 2.82Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.33Å; D337-Q339 VanDerWaalsContact OD1-CG 3.25Å; D337-Q339 WeakPolarHBondContact OD1-CG 3.34Å; D337-Q339 PolarHBondContact OD1-N 3.5Å; D337-Q339 WeakPolarHBondContact OD2-CG 3.46Å; D337-Q339 PolarHBondContact OD2-NE2 3.44Å; D337-D357 PolarHBondContact N-OD1 3.02Å
338N62.8Low71.7Confident18 Ų1825.4 Ų25.410%0.09614%0.137CC..  trans40.446178.8-169.4-3.7000111.4T190 G191 R192 G340 G342 D357T190-N338 PolarHBondContact OG1-ND2 2.96Å; G191-N338 VanDerWaalsContact CA-CG 3.4Å; G191-N338 WeakPolarHBondContact CA-ND2 3.23Å; G191-N338 PolarHBondContact N-ND2 2.96Å; G191-N338 VanDerWaalsContact N-ND2 3.11Å; R192-N338 HydrophobicContact CB-CB 4.36Å; N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 2.8Å; N338-G342 PolarHBondContact OD1-N 2.94Å; N338-D357 WeakPolarHBondContact CA-OD2 3.44Å; N338-D357 WeakPolarHBondContact CB-OD2 3.44Å; N338-D357 VanDerWaalsContact N-CG 3.33Å; N338-D357 PolarHBondContact N-OD1 3.29Å; N338-D357 PolarHBondContact N-OD2 3.06Å
339Q49.7Very low71.3Confident125 Ų12524.5 Ų24.558%0.58413%0.133SC*.THydrogen-bonded Turntrans-63.693.4174.7-92-172.854.900109.4D337D337-Q339 PolarHBondContact O-N 2.82Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.33Å; D337-Q339 VanDerWaalsContact OD1-CG 3.25Å; D337-Q339 WeakPolarHBondContact OD1-CG 3.34Å; D337-Q339 PolarHBondContact OD1-N 3.5Å; D337-Q339 WeakPolarHBondContact OD2-CG 3.46Å; D337-Q339 PolarHBondContact OD2-NE2 3.44Å
340G48.4Very low70.7Confident6 Ų626.7 Ų26.76%0.06214%0.139CC..THydrogen-bonded Turntrans8336.8161.300000116.1N338 R359N338-G340 VanDerWaalsContact C-N 3.27Å; N338-G340 PolarHBondContact O-N 2.8Å; G340-R359 VanDerWaalsContact O-CD 3.24Å; G340-R359 WeakPolarHBondContact O-CD 3.45Å; G340-R359 WeakPolarHBondContact O-CG 3.28Å; G340-R359 VanDerWaalsContact O-CZ 3.22Å; G340-R359 PolarHBondContact O-NE 2.83Å; G340-R359 PolarHBondContact O-NH2 3.06Å
341F55.1Low69.9Low64 Ų6426.5 Ų26.528%0.28114%0.138SC..SBendtrans114.15.7-17152.3-155.8000114.3T190 V196 R197 N343T190-F341 HydrophobicContact CG2-CB 4.07Å; T190-F341 HydrophobicContact CG2-CD1 3.3Å; T190-F341 HydrophobicContact CG2-CE1 3.97Å; T190-F341 HydrophobicContact CG2-CG 4.13Å; V196-F341 HydrophobicContact CB-CD1 4.19Å; V196-F341 HydrophobicContact CB-CD2 4.38Å; V196-F341 HydrophobicContact CB-CE1 3.76Å; V196-F341 HydrophobicContact CB-CE2 3.96Å; V196-F341 HydrophobicContact CB-CG 4.4Å; V196-F341 HydrophobicContact CB-CZ 3.59Å; V196-F341 HydrophobicContact CG1-CB 3.89Å; V196-F341 HydrophobicContact CG1-CD1 3Å; V196-F341 HydrophobicContact CG1-CD2 3.6Å; V196-F341 HydrophobicContact CG1-CE1 3Å; V196-F341 HydrophobicContact CG1-CE2 3.6Å; V196-F341 HydrophobicContact CG1-CG 3.23Å; V196-F341 HydrophobicContact CG1-CZ 3.28Å; V196-F341 HydrophobicContact CG2-CD2 4.08Å; V196-F341 HydrophobicContact CG2-CE1 4.39Å; V196-F341 HydrophobicContact CG2-CE2 3.66Å; V196-F341 HydrophobicContact CG2-CZ 3.8Å; V196-F341 WeakPolarHBondContact O-CE1 3.35Å; R197-F341 VanDerWaalsContact O-CE1 3.26Å; R197-F341 WeakPolarHBondContact O-CE1 3.22Å; R197-F341 WeakPolarHBondContact O-CZ 3.49Å; F341-N343 PolarHBondContact O-N 3.22Å
342G58.2Low69.6Low0 Ų025.5 Ų25.50%013%0.134CC..  trans-75.783.2-162.600000113.1N338 Q358N338-G342 PolarHBondContact OD1-N 2.94Å; G342-Q358 VanDerWaalsContact CA-C 3.42Å; G342-Q358 WeakPolarHBondContact CA-O 3.03Å
343N75.1Confident70.2Confident7 Ų725.4 Ų25.44%0.03713%0.134CC..  trans-100.2-2.6173-66.8-24.7000112.6E211 T310 Y311 F341E211-N343 PolarHBondContact O-ND2 2.87Å; T310-N343 CarbonylContact C-O 3.49Å; T310-N343 WeakPolarHBondContact CA-O 3.32Å; T310-N343 VanDerWaalsContact CB-O 3.24Å; T310-N343 WeakPolarHBondContact CB-O 3.37Å; T310-N343 WeakPolarHBondContact CG2-O 3.33Å; Y311-N343 PolarHBondContact N-O 2.97Å; F341-N343 PolarHBondContact O-N 3.22Å
344C87.3Confident71.4Confident0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans-120.4141.8-174.5-67.90000110.1Y254 W306 T310 D357 Q358 C360Y254-C344 WeakPolarHBondContact CB-SG 3.26Å; Y254-C344 HydrophobicContact CD1-CB 4.44Å; Y254-C344 WeakPolarHBondContact CD1-SG 3.45Å; Y254-C344 HydrophobicContact CD2-CB 3.46Å; Y254-C344 VanDerWaalsContact CD2-CB 3.46Å; Y254-C344 VanDerWaalsContact CD2-SG 3.59Å; Y254-C344 HydrophobicContact CE2-CB 4.04Å; Y254-C344 HydrophobicContact CG-CB 3.68Å; W306-C344 HydrophobicContact CE3-CB 4.24Å; W306-C344 HydrophobicContact CH2-CB 4.06Å; W306-C344 HydrophobicContact CZ3-CB 3.68Å; T310-C344 HydrophobicContact CG2-CB 4.46Å; C344-D357 CarbonylContact O-C 3.25Å; C344-D357 WeakPolarHBondContact O-CA 3.38Å; C344-Q358 PolarHBondContact N-O 2.89Å; C344-Q358 PolarHBondContact O-N 3.12Å; C344-Q358 VanDerWaalsContact O-O 3.08Å; C344-C360 HydrophobicContact CB-CB 3.92Å; C344-C360 WeakPolarHBondContact CB-SG 3.34Å; C344-C360 PolarHBondContact N-SG 3.28Å; C344-C360 WeakPolarHBondContact SG-CB 3.47Å; C344-C360 CovalentContact SG-SG 2.02Å; C344-C360 PolarHBondContact SG-SG 3.43Å
345V92.1Very high73.1Confident0 Ų023.4 Ų23.40%012%0.121CC..EExtended strand (participates in β ladder)trans-103.3127.7-173.7-177.90000111.1I307 L309 F318 F331 W355 N356I307-V345 HydrophobicContact CD1-CB 4.41Å; I307-V345 HydrophobicContact CD1-CG1 3.85Å; I307-V345 HydrophobicContact CG1-CB 4.17Å; I307-V345 HydrophobicContact CG1-CG1 4.03Å; I307-V345 WeakPolarHBondContact CG1-O 3.46Å; I307-V345 PolarHBondContact N-O 2.93Å; L309-V345 HydrophobicContact CB-CB 3.94Å; L309-V345 HydrophobicContact CB-CG2 3.99Å; L309-V345 HydrophobicContact CD2-CB 4.3Å; L309-V345 HydrophobicContact CD2-CG1 4.32Å; L309-V345 HydrophobicContact CD2-CG2 3.91Å; L309-V345 HydrophobicContact CG-CB 4.3Å; L309-V345 HydrophobicContact CG-CG2 3.84Å; L309-V345 WeakPolarHBondContact O-CB 3.33Å; L309-V345 WeakPolarHBondContact O-CG2 3.45Å; L309-V345 PolarHBondContact O-N 3.49Å; F318-V345 HydrophobicContact CD1-CG2 3.87Å; F318-V345 HydrophobicContact CE1-CG2 3.62Å; F331-V345 HydrophobicContact CE1-CG1 4.03Å; F331-V345 HydrophobicContact CE1-CG2 4.02Å; F331-V345 HydrophobicContact CZ-CG1 4.41Å; F331-V345 HydrophobicContact CZ-CG2 3.97Å; V345-W355 HydrophobicContact CG1-CB 3.62Å; V345-W355 HydrophobicContact CG1-CD2 4.45Å; V345-W355 HydrophobicContact CG1-CE3 4.45Å; V345-W355 HydrophobicContact CG1-CG 4.16Å; V345-N356 CarbonylContact C-O 3.53Å; V345-N356 WeakPolarHBondContact CA-O 3.34Å
346E91.5Very high73.9Confident0 Ų022.6 Ų22.60%012%0.118CC..EExtended strand (participates in β ladder)trans-109.8150.2172.767.4-178.9-179.700111.2N304 F305 W306 W355 N356 Q358 N364N304-E346 HydrophobicContact CB-CB 4.44Å; N304-E346 HydrophobicContact CB-CG 4.5Å; N304-E346 WeakPolarHBondContact CB-OE2 3.24Å; N304-E346 PolarHBondContact ND2-OE1 2.79Å; N304-E346 VanDerWaalsContact ND2-OE1 3.17Å; N304-E346 PolarHBondContact ND2-OE2 3.03Å; F305-E346 CarbonylContact O-C 3.45Å; F305-E346 VanDerWaalsContact O-CA 3.24Å; F305-E346 WeakPolarHBondContact O-CA 3.3Å; W306-E346 HydrophobicContact CE3-CB 3.79Å; W306-E346 HydrophobicContact CZ3-CB 3.79Å; E346-W355 CarbonylContact O-C 3.59Å; E346-W355 WeakPolarHBondContact O-CA 3.02Å; E346-N356 HydrophobicContact CG-CB 3.88Å; E346-N356 WeakPolarHBondContact CG-O 3.15Å; E346-N356 PolarHBondContact N-O 2.88Å; E346-N356 PolarHBondContact O-N 3.15Å; E346-N356 PolarHBondContact OE1-ND2 3.02Å; E346-Q358 HydrophobicContact CG-CB 3.87Å; E346-Q358 HydrophobicContact CG-CG 4.49Å; E346-Q358 PolarHBondContact OE1-NE2 3.12Å; E346-N364 PolarHBondContact OE2-ND2 2.95Å
347L90.4Very high74.3Confident0 Ų020.4 Ų20.40%010%0.103CC..EExtended strand (participates in β ladder)trans-81.4120.8160.3-54.3-179.6000108.1I273 L286 N304 F305 I307 F353 W355 I367I273-L347 HydrophobicContact CD1-CD1 4.45Å; I273-L347 HydrophobicContact CD1-CD2 4.03Å; L286-L347 HydrophobicContact CD1-CD1 3.58Å; N304-L347 VanDerWaalsContact CA-O 3.22Å; N304-L347 WeakPolarHBondContact CA-O 3.12Å; N304-L347 WeakPolarHBondContact CB-O 3.38Å; F305-L347 HydrophobicContact CB-CB 4.38Å; F305-L347 PolarHBondContact N-O 3.41Å; F305-L347 PolarHBondContact O-N 3.49Å; I307-L347 HydrophobicContact CD1-CD2 4.11Å; I307-L347 HydrophobicContact CG2-CD1 3.93Å; I307-L347 HydrophobicContact CG2-CD2 4.07Å; I307-L347 HydrophobicContact CG2-CG 3.73Å; L347-F353 HydrophobicContact CB-CB 4.1Å; L347-F353 HydrophobicContact CB-CD1 4.04Å; L347-F353 WeakPolarHBondContact CD2-O 3.31Å; L347-W355 HydrophobicContact CD2-CG 4.2Å; L347-I367 HydrophobicContact CD1-CD1 3.65Å
348Q82.8Confident75.4Confident35 Ų3521.9 Ų21.916%0.16411%0.11CC..EExtended strand (participates in β ladder)trans-97.2115.4-176.6-172.9-18068.900111.1N304 L350 S351 F353 N354 N356N304-Q348 WeakPolarHBondContact OD1-CA 3.5Å; Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 HydrophobicContact CG-CB 4.38Å; Q348-L350 PolarHBondContact O-N 3.31Å; Q348-S351 CarbonylContact O-C 3.51Å; Q348-S351 WeakPolarHBondContact O-CA 3.35Å; Q348-S351 PolarHBondContact O-N 3.21Å; Q348-S351 PolarHBondContact OE1-OG 2.87Å; Q348-F353 VanDerWaalsContact O-CA 3.27Å; Q348-F353 WeakPolarHBondContact O-CA 3.32Å; Q348-F353 PolarHBondContact O-N 3.11Å; Q348-N354 PolarHBondContact N-O 3.47Å; Q348-N356 HydrophobicContact CB-CB 4.15Å
349A76.5Confident76.1Confident4 Ų427 Ų273%0.03313%0.128CC..G310 helixtrans-55.3-43-179.600000113.2E290 R303 N304 S351 T352 F353E290-A349 WeakPolarHBondContact OE1-CB 3.5Å; R303-A349 HydrophobicContact CB-CB 3.45Å; R303-A349 VanDerWaalsContact CB-CB 3.45Å; R303-A349 VanDerWaalsContact O-CB 3.26Å; R303-A349 WeakPolarHBondContact O-CB 3.47Å; N304-A349 PolarHBondContact OD1-N 3.09Å; A349-S351 PolarHBondContact O-N 2.92Å; A349-S351 VanDerWaalsContact O-N 3.17Å; A349-T352 PolarHBondContact O-N 3.21Å; A349-T352 VanDerWaalsContact O-N 3.13Å; A349-F353 HydrophobicContact CB-CD1 4.43Å; A349-F353 HydrophobicContact CB-CE1 3.73Å; A349-F353 HydrophobicContact CB-CZ 3.99Å
350L69.3Low77.6Confident116 Ų11621.8 Ų21.861%0.60711%0.105SC*.G310 helixtrans-65.9-13.9177.6-65.2179.4000113.6F149 Q348F149-L350 VanDerWaalsContact CB-O 3.25Å; F149-L350 WeakPolarHBondContact CB-O 3.27Å; F149-L350 WeakPolarHBondContact CD1-O 3.21Å; F149-L350 WeakPolarHBondContact CD2-O 3.42Å; F149-L350 WeakPolarHBondContact CG-O 3.24Å; Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 HydrophobicContact CG-CB 4.38Å; Q348-L350 PolarHBondContact O-N 3.31Å
351S65.8Low79Confident6 Ų626 Ų264%0.04212%0.122CC..G310 helixtrans-11434.9175.6-66.80000110.8Q348 A349 F353 N354Q348-S351 CarbonylContact O-C 3.51Å; Q348-S351 WeakPolarHBondContact O-CA 3.35Å; Q348-S351 PolarHBondContact O-N 3.21Å; Q348-S351 PolarHBondContact OE1-OG 2.87Å; A349-S351 PolarHBondContact O-N 2.92Å; A349-S351 VanDerWaalsContact O-N 3.17Å; S351-F353 PolarHBondContact O-N 3.48Å; S351-F353 VanDerWaalsContact O-N 3.14Å; S351-N354 VanDerWaalsContact O-CB 3.23Å; S351-N354 WeakPolarHBondContact O-CB 3.44Å; S351-N354 PolarHBondContact O-N 3.17Å; S351-N354 PolarHBondContact O-OD1 2.57Å; S351-N354 VanDerWaalsContact O-OD1 3.11Å
352T73Confident80.1Confident10 Ų1024.5 Ų24.56%0.06112%0.118CC..THydrogen-bonded Turntrans51.538.6-178.557.90000113.6N26 K141 F149 V283 A349 N354N26-T352 HydrophobicContact CB-CG2 3.78Å; K141-T352 HydrophobicContact CB-CG2 4.42Å; K141-T352 HydrophobicContact CD-CG2 3.7Å; F149-T352 HydrophobicContact CD2-CG2 4.45Å; V283-T352 WeakPolarHBondContact CG1-O 3.39Å; A349-T352 PolarHBondContact O-N 3.21Å; A349-T352 VanDerWaalsContact O-N 3.13Å; T352-N354 PolarHBondContact O-N 2.88Å; T352-N354 PolarHBondContact OG1-OD1 2.94Å
353F82.8Confident81.1Confident0 Ų028.2 Ų28.20%013%0.132CC..THydrogen-bonded Turntrans59.719.8-176.8-56.9-71.3000114.6Q279 V283 L286 S287 E290 F305 L347 Q348 A349 S351Q279-F353 PolarHBondContact NE2-O 3.29Å; V283-F353 HydrophobicContact CB-CB 4.43Å; V283-F353 HydrophobicContact CG1-CB 4.48Å; V283-F353 HydrophobicContact CG1-CD2 4.25Å; V283-F353 HydrophobicContact CG2-CB 3.81Å; L286-F353 HydrophobicContact CB-CD1 4.29Å; L286-F353 HydrophobicContact CB-CD2 3.96Å; L286-F353 HydrophobicContact CB-CE1 4.01Å; L286-F353 HydrophobicContact CB-CE2 3.65Å; L286-F353 HydrophobicContact CB-CG 4.27Å; L286-F353 HydrophobicContact CB-CZ 3.67Å; L286-F353 HydrophobicContact CD1-CD1 3.89Å; L286-F353 HydrophobicContact CD1-CE1 4.22Å; L286-F353 HydrophobicContact CD1-CG 4.07Å; S287-F353 WeakPolarHBondContact OG-CE2 3.37Å; E290-F353 HydrophobicContact CG-CE2 4.4Å; E290-F353 HydrophobicContact CG-CZ 3.92Å; F305-F353 HydrophobicContact CD2-CD1 4.2Å; F305-F353 AromaticContact CD2-CE1 3.76Å; F305-F353 HydrophobicContact CD2-CE1 3.76Å; F305-F353 AromaticContact CE2-CE1 3.66Å; F305-F353 HydrophobicContact CE2-CE1 3.66Å; F305-F353 HydrophobicContact CE2-CZ 4.3Å; L347-F353 HydrophobicContact CB-CB 4.1Å; L347-F353 HydrophobicContact CB-CD1 4.04Å; L347-F353 WeakPolarHBondContact CD2-O 3.31Å; Q348-F353 VanDerWaalsContact O-CA 3.27Å; Q348-F353 WeakPolarHBondContact O-CA 3.32Å; Q348-F353 PolarHBondContact O-N 3.11Å; A349-F353 HydrophobicContact CB-CD1 4.43Å; A349-F353 HydrophobicContact CB-CE1 3.73Å; A349-F353 HydrophobicContact CB-CZ 3.99Å; S351-F353 PolarHBondContact O-N 3.48Å; S351-F353 VanDerWaalsContact O-N 3.14Å
354N82.9Confident81.5Confident16 Ų1627.9 Ų27.99%0.08613%0.13CC..EExtended strand (participates in β ladder)trans-64.1156160.6-73.462.7000110.1S330 A332 Q348 S351 T352S330-N354 CarbonylContact O-C 3.47Å; S330-N354 WeakPolarHBondContact O-CA 3.23Å; S330-N354 WeakPolarHBondContact O-CB 3.21Å; S330-N354 PolarHBondContact O-ND2 3.23Å; A332-N354 HydrophobicContact CB-CB 3.71Å; Q348-N354 PolarHBondContact N-O 3.47Å; S351-N354 VanDerWaalsContact O-CB 3.23Å; S351-N354 WeakPolarHBondContact O-CB 3.44Å; S351-N354 PolarHBondContact O-N 3.17Å; S351-N354 PolarHBondContact O-OD1 2.57Å; S351-N354 VanDerWaalsContact O-OD1 3.11Å; T352-N354 PolarHBondContact O-N 2.88Å; T352-N354 PolarHBondContact OG1-OD1 2.94Å
355W90.1Very high81.4Confident0 Ų029.2 Ų29.20%014%0.135CC..EExtended strand (participates in β ladder)trans-81.1142.5-167.6-47.6-10.1000111.7I273 I307 L309 W320 L326 F328 S329 S330 F331 A332 V345 E346 L347I273-W355 HydrophobicContact CB-CH2 4.38Å; I273-W355 HydrophobicContact CB-CZ2 3.69Å; I273-W355 HydrophobicContact CD1-CZ2 4.29Å; I273-W355 HydrophobicContact CG2-CZ2 3.79Å; I307-W355 HydrophobicContact CD1-CD2 4.09Å; I307-W355 HydrophobicContact CD1-CG 4.29Å; L309-W355 HydrophobicContact CD2-CE3 3.75Å; L309-W355 HydrophobicContact CD2-CH2 4.42Å; L309-W355 HydrophobicContact CD2-CZ3 3.51Å; W320-W355 AromaticContact CH2-CH2 3.86Å; W320-W355 HydrophobicContact CH2-CH2 3.86Å; W320-W355 HydrophobicContact CH2-CZ2 4.35Å; W320-W355 HydrophobicContact CH2-CZ3 4.39Å; W320-W355 HydrophobicContact CZ2-CH2 4.01Å; L326-W355 HydrophobicContact CD1-CH2 4.3Å; L326-W355 HydrophobicContact CD1-CZ3 4Å; L326-W355 HydrophobicContact CD2-CZ3 4.49Å; F328-W355 AromaticContact CD1-CH2 3.95Å; F328-W355 HydrophobicContact CD1-CH2 3.95Å; F328-W355 HydrophobicContact CD1-CZ2 4.05Å; F328-W355 HydrophobicContact CE1-CH2 4.16Å; F328-W355 AromaticContact CE1-CZ2 3.81Å; F328-W355 HydrophobicContact CE1-CZ2 3.81Å; F328-W355 WeakPolarHBondContact O-CH2 3.05Å; S329-W355 VanDerWaalsContact CA-CZ3 3.49Å; S330-W355 PolarHBondContact O-N 2.89Å; F331-W355 CarbonylContact C-O 3.42Å; F331-W355 WeakPolarHBondContact CA-O 3.09Å; F331-W355 HydrophobicContact CD1-CB 3.74Å; F331-W355 HydrophobicContact CD2-CE3 4.09Å; F331-W355 HydrophobicContact CE1-CB 4.09Å; F331-W355 AromaticContact CE2-CE3 3.95Å; F331-W355 HydrophobicContact CE2-CE3 3.95Å; F331-W355 HydrophobicContact CE2-CZ3 4.42Å; F331-W355 HydrophobicContact CG-CB 4.2Å; F331-W355 HydrophobicContact CG-CE3 4.42Å; F331-W355 HydrophobicContact CZ-CE3 4.18Å; A332-W355 PolarHBondContact N-O 3.05Å; V345-W355 HydrophobicContact CG1-CB 3.62Å; V345-W355 HydrophobicContact CG1-CD2 4.45Å; V345-W355 HydrophobicContact CG1-CE3 4.45Å; V345-W355 HydrophobicContact CG1-CG 4.16Å; E346-W355 CarbonylContact O-C 3.59Å; E346-W355 WeakPolarHBondContact O-CA 3.02Å; L347-W355 HydrophobicContact CD2-CG 4.2Å
356N83.8Confident81.2Confident9 Ų929.7 Ų29.75%0.04814%0.137CC..EExtended strand (participates in β ladder)trans-131.2134.7176.1179.158.8000107.7Q335 V345 E346 Q348Q335-N356 HydrophobicContact CG-CB 4.38Å; Q335-N356 WeakPolarHBondContact CG-OD1 3.43Å; Q335-N356 PolarHBondContact NE2-OD1 3.1Å; Q335-N356 PolarHBondContact OE1-OD1 2.84Å; V345-N356 CarbonylContact C-O 3.53Å; V345-N356 WeakPolarHBondContact CA-O 3.34Å; E346-N356 HydrophobicContact CG-CB 3.88Å; E346-N356 WeakPolarHBondContact CG-O 3.15Å; E346-N356 PolarHBondContact N-O 2.88Å; E346-N356 PolarHBondContact O-N 3.15Å; E346-N356 PolarHBondContact OE1-ND2 3.02Å; Q348-N356 HydrophobicContact CB-CB 4.15Å
357D82.8Confident81.2Confident4 Ų429.7 Ų29.72%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-84.2131168.264.2-42.7000109.8F318 Q335 P336 D337 N338 C344F318-D357 HydrophobicContact CZ-CB 4.48Å; Q335-D357 PolarHBondContact OE1-OD1 3.37Å; P336-D357 WeakPolarHBondContact CA-OD1 3.3Å; P336-D357 HydrophobicContact CB-CB 3.98Å; P336-D357 WeakPolarHBondContact CB-OD1 3.5Å; D337-D357 PolarHBondContact N-OD1 3.02Å; N338-D357 WeakPolarHBondContact CA-OD2 3.44Å; N338-D357 WeakPolarHBondContact CB-OD2 3.44Å; N338-D357 VanDerWaalsContact N-CG 3.33Å; N338-D357 PolarHBondContact N-OD1 3.29Å; N338-D357 PolarHBondContact N-OD2 3.06Å; C344-D357 CarbonylContact O-C 3.25Å; C344-D357 WeakPolarHBondContact O-CA 3.38Å
358Q82.4Confident81.2Confident40 Ų4030.3 Ų30.319%0.18714%0.141CC..EExtended strand (participates in β ladder)trans-138.7150.6-166.9178.261.7-85.600109.6W306 G342 C344 E346 C360 T362W306-Q358 HydrophobicContact CH2-CB 3.71Å; W306-Q358 HydrophobicContact CH2-CG 3.65Å; W306-Q358 HydrophobicContact CZ2-CG 4.48Å; W306-Q358 HydrophobicContact CZ3-CB 3.9Å; W306-Q358 HydrophobicContact CZ3-CG 4.3Å; G342-Q358 VanDerWaalsContact CA-C 3.42Å; G342-Q358 WeakPolarHBondContact CA-O 3.03Å; C344-Q358 PolarHBondContact N-O 2.89Å; C344-Q358 PolarHBondContact O-N 3.12Å; C344-Q358 VanDerWaalsContact O-O 3.08Å; E346-Q358 HydrophobicContact CG-CB 3.87Å; E346-Q358 HydrophobicContact CG-CG 4.49Å; E346-Q358 PolarHBondContact OE1-NE2 3.12Å; Q358-C360 PolarHBondContact O-N 2.87Å; Q358-C360 VanDerWaalsContact O-N 3.11Å; Q358-T362 HydrophobicContact CG-CG2 4.18Å
359R77.9Confident81.5Confident126 Ų12629.4 Ų29.448%0.47514%0.137SC..  trans-48.2120172-70.7175.6-175.3-153.6-11.8109.8W306 G340 K361 T362W306-R359 WeakPolarHBondContact CH2-O 3.43Å; G340-R359 VanDerWaalsContact O-CD 3.24Å; G340-R359 WeakPolarHBondContact O-CD 3.45Å; G340-R359 WeakPolarHBondContact O-CG 3.28Å; G340-R359 VanDerWaalsContact O-CZ 3.22Å; G340-R359 PolarHBondContact O-NE 2.83Å; G340-R359 PolarHBondContact O-NH2 3.06Å; R359-K361 PolarHBondContact O-N 3.47Å; R359-T362 VanDerWaalsContact O-CB 3.26Å; R359-T362 WeakPolarHBondContact O-CB 3.49Å; R359-T362 PolarHBondContact O-N 3.41Å; R359-T362 PolarHBondContact O-OG1 3.17Å
360C82.4Confident81.8Confident15 Ų1529.5 Ų29.510%0.10114%0.136CC..THydrogen-bonded Turntrans-57.7-21.1178.4-56.40000113.6S253 Y254 Y255 C344 Q358 T362S253-C360 WeakPolarHBondContact CB-O 3.43Å; Y254-C360 PolarHBondContact N-O 3.2Å; Y255-C360 HydrophobicContact CD2-CB 4.32Å; Y255-C360 HydrophobicContact CE2-CB 3.96Å; C344-C360 HydrophobicContact CB-CB 3.92Å; C344-C360 WeakPolarHBondContact CB-SG 3.34Å; C344-C360 PolarHBondContact N-SG 3.28Å; C344-C360 WeakPolarHBondContact SG-CB 3.47Å; C344-C360 CovalentContact SG-SG 2.02Å; C344-C360 PolarHBondContact SG-SG 3.43Å; Q358-C360 PolarHBondContact O-N 2.87Å; Q358-C360 VanDerWaalsContact O-N 3.11Å; C360-T362 VanDerWaalsContact C-N 3.34Å
361K76.3Confident82.1Confident94 Ų9427.3 Ų27.341%0.40913%0.126SC..THydrogen-bonded Turntrans-74.8-19.2175.3-48.2-150.6173.1-169.20113.5A223 E224 R359 R363A223-K361 HydrophobicContact CB-CB 3.98Å; A223-K361 HydrophobicContact CB-CD 3.2Å; A223-K361 HydrophobicContact CB-CG 3.25Å; E224-K361 IonicContact OE1-NZ 2.81Å; E224-K361 PolarHBondContact OE1-NZ 3.22Å; R359-K361 PolarHBondContact O-N 3.47Å; K361-R363 PolarHBondContact O-N 2.57Å
362T78.2Confident82.2Confident33 Ų3330.1 Ų30.120%0.20214%0.144CC..SBendtrans-59.8137.1179.7-61.80000109.3S253 W306 Q358 R359 C360 N364S253-T362 WeakPolarHBondContact CA-O 3.24Å; W306-T362 VanDerWaalsContact CZ2-O 3.25Å; W306-T362 WeakPolarHBondContact CZ2-O 3.45Å; W306-T362 PolarHBondContact NE1-O 3.25Å; Q358-T362 HydrophobicContact CG-CG2 4.18Å; R359-T362 VanDerWaalsContact O-CB 3.26Å; R359-T362 WeakPolarHBondContact O-CB 3.49Å; R359-T362 PolarHBondContact O-N 3.41Å; R359-T362 PolarHBondContact O-OG1 3.17Å; C360-T362 VanDerWaalsContact C-N 3.34Å; T362-N364 WeakPolarHBondContact CG2-OD1 3.49Å; T362-N364 PolarHBondContact O-N 2.98Å
363R79.9Confident81.8Confident77 Ų7736.1 Ų36.129%0.29117%0.171SC..  trans-88.2108.2176.6-60.2-169.873.297.25.6108.4E227 A251 D252 T302 K361E227-R363 IonicContact OE2-NH1 2.76Å; A251-R363 HydrophobicContact CB-CB 4.39Å; A251-R363 PolarHBondContact O-NE 3.32Å; A251-R363 PolarHBondContact O-NH2 3.46Å; D252-R363 WeakPolarHBondContact O-CA 3.34Å; D252-R363 IonicContact OD1-NH2 2.62Å; T302-R363 PolarHBondContact OG1-O 3.38Å; K361-R363 PolarHBondContact O-N 2.57Å
364N83.3Confident80.8Confident0 Ų037.9 Ų37.90%018%0.179CC..BIsolated β-bridgetrans-122.9158.9174-63.9-38.4000109.1A251 D252 T302 W306 E346 T362A251-N364 CarbonylContact C-O 3.6Å; A251-N364 VanDerWaalsContact CA-O 3.24Å; A251-N364 WeakPolarHBondContact CA-O 3.21Å; D252-N364 PolarHBondContact N-O 2.93Å; D252-N364 PolarHBondContact O-N 3.12Å; D252-N364 VanDerWaalsContact O-O 3.11Å; T302-N364 VanDerWaalsContact CB-OD1 3.27Å; T302-N364 WeakPolarHBondContact CB-OD1 3.49Å; T302-N364 PolarHBondContact OG1-OD1 3.07Å; W306-N364 HydrophobicContact CD2-CB 4.21Å; W306-N364 VanDerWaalsContact CE2-ND2 3.27Å; W306-N364 HydrophobicContact CG-CB 4.16Å; W306-N364 HydrophobicContact CZ2-CB 4.49Å; W306-N364 WeakPolarHBondContact CZ2-ND2 3.1Å; E346-N364 PolarHBondContact OE2-ND2 2.95Å; T362-N364 WeakPolarHBondContact CG2-OD1 3.49Å; T362-N364 PolarHBondContact O-N 2.98Å
365R85Confident79.6Confident28 Ų2838.9 Ų38.911%0.10618%0.184CC..EExtended strand (participates in β ladder)trans-61.9169.4160.3-69.5-179175.6-178.7-4.6109.2S248 N304 F305 W306S248-R365 WeakPolarHBondContact OG-CA 3.35Å; N304-R365 PolarHBondContact O-N 3.47Å; F305-R365 CarbonylContact C-O 3.55Å; F305-R365 WeakPolarHBondContact CA-O 3.41Å; F305-R365 HydrophobicContact CD1-CB 3.49Å; F305-R365 VanDerWaalsContact CD1-CB 3.49Å; F305-R365 HydrophobicContact CE1-CB 3.53Å; F305-R365 HydrophobicContact CE1-CG 4.3Å; F305-R365 HydrophobicContact CG-CB 4.45Å; W306-R365 PolarHBondContact N-O 3.09Å
366Y89.1Confident78.1Confident11 Ų1140.9 Ų40.94%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-149.4155.9-174.653.6-91.5000111.3S248 E250 D252 A257 R260 L270S248-Y366 WeakPolarHBondContact CB-O 3.15Å; S248-Y366 PolarHBondContact N-O 3.35Å; S248-Y366 VanDerWaalsContact OG-CD1 3.3Å; S248-Y366 WeakPolarHBondContact OG-CD1 3.42Å; S248-Y366 WeakPolarHBondContact OG-CE1 3.49Å; S248-Y366 PolarHBondContact OG-N 3.13Å; S248-Y366 PolarHBondContact OG-O 3.15Å; E250-Y366 HydrophobicContact CG-CE1 4.19Å; E250-Y366 WeakPolarHBondContact CG-OH 3.41Å; E250-Y366 PolarHBondContact OE1-OH 3.34Å; E250-Y366 VanDerWaalsContact OE1-OH 3.12Å; D252-Y366 HydrophobicContact CB-CD1 4.44Å; D252-Y366 HydrophobicContact CB-CE1 4.11Å; A257-Y366 HydrophobicContact CB-CD1 3.41Å; A257-Y366 VanDerWaalsContact CB-CD1 3.41Å; A257-Y366 HydrophobicContact CB-CD2 3.88Å; A257-Y366 HydrophobicContact CB-CE1 4.07Å; A257-Y366 HydrophobicContact CB-CE2 4.47Å; A257-Y366 HydrophobicContact CB-CG 3.33Å; R260-Y366 HydrophobicContact CB-CE2 4.09Å; R260-Y366 WeakPolarHBondContact CD-OH 3.29Å; L270-Y366 HydrophobicContact CD2-CD2 4.32Å; L270-Y366 HydrophobicContact CD2-CG 4.46Å
367I91.6Very high76.6Confident0 Ų047.1 Ų47.10%022%0.224CC..EExtended strand (participates in β ladder)trans-112.6122.2-179.6-52.7163000107.8F245 M246 V247 L270 A271 L286 F305 W306 I307 L347F245-I367 HydrophobicContact CB-CG2 4.25Å; F245-I367 HydrophobicContact CD1-CG2 4.14Å; M246-I367 CarbonylContact O-C 3.56Å; M246-I367 VanDerWaalsContact O-CA 3.27Å; M246-I367 WeakPolarHBondContact O-CA 3.42Å; V247-I367 HydrophobicContact CG2-CG1 4.34Å; L270-I367 CarbonylContact C-O 3.45Å; L270-I367 WeakPolarHBondContact CA-O 3.43Å; A271-I367 HydrophobicContact CB-CB 3.79Å; A271-I367 HydrophobicContact CB-CG2 3.65Å; A271-I367 PolarHBondContact N-O 3.27Å; L286-I367 HydrophobicContact CD1-CD1 3.99Å; L286-I367 HydrophobicContact CD2-CD1 4.32Å; F305-I367 HydrophobicContact CB-CD1 3.95Å; F305-I367 HydrophobicContact CB-CG1 4.05Å; F305-I367 HydrophobicContact CD1-CG1 4.35Å; F305-I367 HydrophobicContact CG-CD1 4.45Å; F305-I367 HydrophobicContact CG-CG1 4.44Å; W306-I367 PolarHBondContact O-N 3.21Å; W306-I367 VanDerWaalsContact O-N 3.07Å; I307-I367 HydrophobicContact CG2-CD1 4.37Å; L347-I367 HydrophobicContact CD1-CD1 3.65Å
368C89.1Confident74.9Confident13 Ų1350.7 Ų50.79%0.08824%0.237CC..EExtended strand (participates in β ladder)trans-93.7146.1170.4-56.80000109.9F245 M246 C261 T269F245-C368 CarbonylContact C-O 3.56Å; F245-C368 WeakPolarHBondContact CA-O 3.04Å; M246-C368 PolarHBondContact N-O 3.26Å; M246-C368 PolarHBondContact O-N 2.96Å; C261-C368 WeakPolarHBondContact CA-SG 3.46Å; C261-C368 HydrophobicContact CB-CB 3.7Å; C261-C368 WeakPolarHBondContact CB-SG 3.44Å; C261-C368 WeakPolarHBondContact SG-CA 3.19Å; C261-C368 WeakPolarHBondContact SG-CB 3.21Å; C261-C368 CovalentContact SG-SG 2.04Å; C261-C368 PolarHBondContact SG-SG 3.38Å; T269-C368 CarbonylContact O-C 3.39Å; T269-C368 VanDerWaalsContact O-CA 3.31Å; T269-C368 WeakPolarHBondContact O-CA 3.47Å
369Q89.8Confident73.4Confident15 Ų1554.7 Ų54.77%0.0726%0.256CS..EExtended strand (participates in β ladder)trans-118.4149.5168.672.9174.52600111.6T243 C244 F245 G268 T269T243-Q369 HydrophobicContact CG2-CB 4Å; C244-Q369 CarbonylContact O-C 3.44Å; C244-Q369 WeakPolarHBondContact O-CA 3.42Å; F245-Q369 HydrophobicContact CD1-CB 4.01Å; F245-Q369 HydrophobicContact CE1-CB 3.88Å; F245-Q369 HydrophobicContact CZ-CB 4.47Å; G268-Q369 WeakPolarHBondContact CA-O 3.28Å; T269-Q369 PolarHBondContact N-O 3.1Å; T269-Q369 VanDerWaalsContact N-O 3.1Å; T269-Q369 PolarHBondContact O-N 3.44Å; T269-Q369 WeakPolarHBondContact OG1-CG 3.5Å; T269-Q369 PolarHBondContact OG1-NE2 2.92Å
370H83.3Confident71.9Confident6 Ų656.4 Ų56.43%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-139132.5177.3-61.4-86.5000110.5C244 M246 L266 G268 I375C244-H370 HydrophobicContact CB-CB 4.41Å; C244-H370 PolarHBondContact N-O 2.94Å; C244-H370 PolarHBondContact O-N 3.48Å; M246-H370 WeakPolarHBondContact CE-CD2 2.88Å; M246-H370 WeakPolarHBondContact CE-NE2 3.47Å; L266-H370 VanDerWaalsContact CB-CE1 3.42Å; L266-H370 WeakPolarHBondContact CB-CE1 2.96Å; L266-H370 WeakPolarHBondContact CB-ND1 3.23Å; L266-H370 PolarHBondContact O-ND1 2.87Å; G268-H370 WeakPolarHBondContact CA-CE1 3.2Å; G268-H370 WeakPolarHBondContact CA-ND1 3.4Å; G268-H370 PolarHBondContact N-CE1 3.25Å; G268-H370 PolarHBondContact N-ND1 3.16Å; H370-I375 HydrophobicContact CB-CG1 4.25Å
371D75.3Confident70Confident71 Ų7159.9 Ų59.938%0.3830%0.299SS..  trans-76.7154.5-179.2-67-46.5000111.9E373 Q374 I375D371-E373 PolarHBondContact O-N 3.31Å; D371-E373 VanDerWaalsContact O-N 3.15Å; D371-Q374 HydrophobicContact CB-CG 4.17Å; D371-Q374 VanDerWaalsContact N-OE1 3.13Å; D371-Q374 WeakPolarHBondContact O-CA 3.29Å; D371-Q374 WeakPolarHBondContact O-CB 3.47Å; D371-Q374 PolarHBondContact O-N 2.9Å; D371-I375 WeakPolarHBondContact O-CG1 3.46Å; D371-I375 PolarHBondContact O-N 2.95Å
372P68Low68.4Low65 Ų6566.8 Ų66.842%0.42232%0.322SS..Hα-helixtrans-51.8-39.8178.9-14.914.4000113.9G242 Q374 I375 A376G242-P372 WeakPolarHBondContact O-CD 3.26Å; G242-P372 VanDerWaalsContact O-CG 3.28Å; G242-P372 WeakPolarHBondContact O-CG 3.33Å; P372-Q374 PolarHBondContact O-N 3.03Å; P372-I375 PolarHBondContact O-N 2.96Å; P372-A376 WeakPolarHBondContact O-CB 3.34Å; P372-A376 PolarHBondContact O-N 2.88Å
373E64.3Low67.9Low136 Ų13668.5 Ų68.564%0.63633%0.328SS*.Hα-helixtrans-65-29.5177.6-67.5-172.4-172.300113.1D371 R377D371-E373 PolarHBondContact O-N 3.31Å; D371-E373 VanDerWaalsContact O-N 3.15Å; E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 3.19Å; E373-R377 PolarHBondContact O-NE 2.78Å; E373-R377 IonicContact OE2-NH2 3.6Å
374Q60.8Low67.2Low36 Ų3668.1 Ų68.117%0.16833%0.33CS..Hα-helixtrans-79.6-36.1178-57176.7-21.500110.5L266 R267 D371 P372 W378L266-Q374 PolarHBondContact O-OE1 3.29Å; R267-Q374 PolarHBondContact O-NE2 3.31Å; R267-Q374 PolarHBondContact O-OE1 3.46Å; D371-Q374 HydrophobicContact CB-CG 4.17Å; D371-Q374 VanDerWaalsContact N-OE1 3.13Å; D371-Q374 WeakPolarHBondContact O-CA 3.29Å; D371-Q374 WeakPolarHBondContact O-CB 3.47Å; D371-Q374 PolarHBondContact O-N 2.9Å; P372-Q374 PolarHBondContact O-N 3.03Å; Q374-W378 PolarHBondContact O-N 2.7Å
375I59.2Low66.3Low37 Ų3771.8 Ų71.819%0.1935%0.349CS..Hα-helixtrans-64.9-45.5173.5-60166.6000110.3C244 H370 D371 P372 R377 W378 E379C244-I375 HydrophobicContact CB-CD1 3.39Å; C244-I375 HydrophobicContact CB-CG1 4.21Å; H370-I375 HydrophobicContact CB-CG1 4.25Å; D371-I375 WeakPolarHBondContact O-CG1 3.46Å; D371-I375 PolarHBondContact O-N 2.95Å; P372-I375 PolarHBondContact O-N 2.96Å; I375-R377 PolarHBondContact O-N 3.17Å; I375-W378 WeakPolarHBondContact O-CA 3.43Å; I375-W378 WeakPolarHBondContact O-CB 3.14Å; I375-W378 PolarHBondContact O-N 3.28Å; I375-E379 PolarHBondContact O-N 2.92Å
376A56.9Low65.2Low43 Ų4374.4 Ų74.436%0.35536%0.363SS..Hα-helixtrans-60.2-43.9179.100000112.5P372 W378 E379 E380P372-A376 WeakPolarHBondContact O-CB 3.34Å; P372-A376 PolarHBondContact O-N 2.88Å; A376-W378 PolarHBondContact O-N 3.11Å; A376-E379 PolarHBondContact O-N 2.88Å; A376-E380 WeakPolarHBondContact O-CG 3.46Å; A376-E380 PolarHBondContact O-N 3.07Å
377R53Low63.8Low139 Ų13978.4 Ų78.453%0.52538%0.383SS..Hα-helixtrans-62.5-27.3174.6-69.8178-141.5-164.13.3113.1E373 I375 A381E373-R377 WeakPolarHBondContact O-CG 3.37Å; E373-R377 PolarHBondContact O-N 3.19Å; E373-R377 PolarHBondContact O-NE 2.78Å; E373-R377 IonicContact OE2-NH2 3.6Å; I375-R377 PolarHBondContact O-N 3.17Å; R377-A381 WeakPolarHBondContact O-CB 3.33Å; R377-A381 PolarHBondContact O-N 3.4Å
378W48.2Very low61.9Low79 Ų7983.6 Ų83.630%0.29941%0.408SS..Hα-helixtrans-78.8-39.8176.5172.977.6000112.2L266 Q374 I375 A376 E380 A381 R382L266-W378 HydrophobicContact CD2-CB 3.57Å; L266-W378 HydrophobicContact CD2-CD2 4.11Å; L266-W378 HydrophobicContact CD2-CG 3.52Å; L266-W378 HydrophobicContact CG-CG 4.29Å; Q374-W378 PolarHBondContact O-N 2.7Å; I375-W378 WeakPolarHBondContact O-CA 3.43Å; I375-W378 WeakPolarHBondContact O-CB 3.14Å; I375-W378 PolarHBondContact O-N 3.28Å; A376-W378 PolarHBondContact O-N 3.11Å; W378-E380 VanDerWaalsContact C-N 3.33Å; W378-A381 PolarHBondContact O-N 3.33Å; W378-R382 PolarHBondContact O-N 2.89Å
379E50Low60Low124 Ų12488.6 Ų88.658%0.57943%0.431SS*.Hα-helixtrans-66.4-34.3175.4-68.4-173.8160.800112.4I375 A376 A381I375-E379 PolarHBondContact O-N 2.92Å; A376-E379 PolarHBondContact O-N 2.88Å; E379-A381 VanDerWaalsContact C-N 3.35Å
380E47.4Very low57.7Low163 Ų16394.3 Ų94.376%0.76246%0.459SS*.THydrogen-bonded Turntrans-73.4-23.4174.9-71.5176.2177.600113.9A376 W378A376-E380 WeakPolarHBondContact O-CG 3.46Å; A376-E380 PolarHBondContact O-N 3.07Å; W378-E380 VanDerWaalsContact C-N 3.33Å
381A41.4Very low55.5Low87 Ų87101.7 Ų101.772%0.71950%0.495SS*.THydrogen-bonded Turntrans-91.6-3.1-179.200000113.8R377 W378 E379R377-A381 WeakPolarHBondContact O-CB 3.33Å; R377-A381 PolarHBondContact O-N 3.4Å; W378-A381 PolarHBondContact O-N 3.33Å; E379-A381 VanDerWaalsContact C-N 3.35Å
382R41.9Very low53.7Low240 Ų240104.5 Ų104.591%0.90651%0.505SS*.  trans-95.50178.2-171.5178.9-172.9164.71.6110.8W378W378-R382 PolarHBondContact O-N 2.89Å

Retrieved 382 of 382 residues in 255.2 ms (Link to these results)

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