A0A087XI92_POEFO Loading...

F-box and leucine-rich repeat protein 22

AlphaFold DB , UniProt , Accession A0A087XI92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 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
1M56.1Low81.4Confident221 Ų221104.1 Ų104.1100%1.08951%0.511SS*.  0126.80-83.7-177.6177.400108.4
2H73Confident82.3Confident137 Ų13797.4 Ų97.463%0.63448%0.478SS*.  trans-80.2135.3171.6-86-82.4000109.3T4 Q5H2-T4 PolarHBondContact O-N 3.46Å; H2-T4 VanDerWaalsContact O-N 3.07Å; H2-Q5 HydrophobicContact CB-CG 4.16Å; H2-Q5 WeakPolarHBondContact O-CB 3.44Å; H2-Q5 PolarHBondContact O-N 3.3Å
3L71.2Confident83.1Confident76 Ų7699 Ų9940%0.39848%0.484SS..G310 helixtrans-52.3-31.1176.6-108.5130.9000112.6Q5 L6 L11 L14 L33L3-Q5 PolarHBondContact O-N 2.9Å; L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 3.06Å; L3-L11 HydrophobicContact CD2-CD2 3.81Å; L3-L11 WeakPolarHBondContact O-CD2 3.22Å; L3-L14 HydrophobicContact CD2-CD1 4.21Å; L3-L33 HydrophobicContact CD2-CD2 4.46Å
4T73.1Confident83.7Confident68 Ų6897.2 Ų97.242%0.41748%0.477SS..G310 helixtrans-69.5-14.1178.452.40000114.6H2 L6 Q32H2-T4 PolarHBondContact O-N 3.46Å; H2-T4 VanDerWaalsContact O-N 3.07Å; T4-L6 VanDerWaalsContact C-N 3.33Å; T4-Q32 PolarHBondContact O-NE2 3.27Å; T4-Q32 PolarHBondContact O-OE1 3.4Å; T4-Q32 VanDerWaalsContact O-OE1 3.12Å
5Q84.4Confident84.3Confident143 Ų14390.8 Ų90.867%0.66845%0.445SS*.G310 helixtrans-85.5-9177.1-64.1174.2-32.700112.5H2 L3H2-Q5 HydrophobicContact CB-CG 4.16Å; H2-Q5 WeakPolarHBondContact O-CB 3.44Å; H2-Q5 PolarHBondContact O-N 3.3Å; L3-Q5 PolarHBondContact O-N 2.9Å
6L84.6Confident84.7Confident52 Ų5288.8 Ų88.827%0.27244%0.443SS..SBendtrans-79146.5178-62.5174.8000110.7L3 T4 C10 L11 L14 Q32L3-L6 WeakPolarHBondContact O-CB 3.38Å; L3-L6 PolarHBondContact O-N 3.06Å; T4-L6 VanDerWaalsContact C-N 3.33Å; L6-C10 HydrophobicContact CB-CB 4.17Å; L6-L11 HydrophobicContact CB-CD2 4.08Å; L6-L11 HydrophobicContact CB-CG 4.02Å; L6-L11 HydrophobicContact CD1-CD2 4.33Å; L6-L14 HydrophobicContact CD1-CD1 3.42Å; L6-L14 VanDerWaalsContact CD1-CD1 3.42Å; L6-Q32 PolarHBondContact O-NE2 3.37Å
7N89.4Confident85.1Confident91 Ų9192.5 Ų92.549%0.48746%0.456SS..  trans-70.7167.3173.572.99.8000111.2E9 C10 L11N7-E9 VanDerWaalsContact C-N 3.3Å; N7-E9 PolarHBondContact O-N 3.2Å; N7-E9 PolarHBondContact OD1-N 2.9Å; N7-C10 PolarHBondContact O-N 3.12Å; N7-C10 WeakPolarHBondContact OD1-CB 3.37Å; N7-C10 PolarHBondContact OD1-N 3.32Å; N7-C10 PolarHBondContact OD1-SG 3.29Å; N7-L11 WeakPolarHBondContact O-CG 3.45Å; N7-L11 PolarHBondContact O-N 3.07Å
8R89.6Confident85.3Confident150 Ų15090.4 Ų90.457%0.56645%0.447SS*.Hα-helixtrans-57.7-39.9-176.4-172.9178.8-173.9-91.3-0.6113.1L11 L12 D39R8-L11 PolarHBondContact O-N 2.94Å; R8-L12 HydrophobicContact CG-CD1 4.26Å; R8-L12 WeakPolarHBondContact O-CG 3.46Å; R8-L12 PolarHBondContact O-N 3.43Å; R8-D39 IonicContact CZ-OD2 3.23Å; R8-D39 IonicContact NH1-OD2 3.52Å; R8-D39 IonicContact NH2-OD2 3.41Å; R8-D39 PolarHBondContact NH2-OD2 3.01Å
9E90.8Very high85.5Confident150 Ų15090.5 Ų90.570%0.70145%0.449SS*.Hα-helixtrans-68-45.4-178.3-65.1-177.4164.800112.1N7 L11 L12 H13N7-E9 VanDerWaalsContact C-N 3.3Å; N7-E9 PolarHBondContact O-N 3.2Å; N7-E9 PolarHBondContact OD1-N 2.9Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.36Å; E9-L12 PolarHBondContact O-N 3.4Å; E9-H13 WeakPolarHBondContact O-CB 3.47Å; E9-H13 PolarHBondContact O-N 3.27Å
10C91.6Very high85.6Confident56 Ų5687.5 Ų87.538%0.37843%0.433SS..Hα-helixtrans-60.9-39.7174.1-720000111.4L6 N7 H13 L14L6-C10 HydrophobicContact CB-CB 4.17Å; N7-C10 PolarHBondContact O-N 3.12Å; N7-C10 WeakPolarHBondContact OD1-CB 3.37Å; N7-C10 PolarHBondContact OD1-N 3.32Å; N7-C10 PolarHBondContact OD1-SG 3.29Å; C10-H13 PolarHBondContact O-N 2.94Å; C10-L14 WeakPolarHBondContact O-CB 3.13Å; C10-L14 VanDerWaalsContact O-CG 3.29Å; C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 2.91Å
11L92Very high85.7Confident1 Ų187 Ų871%0.00543%0.433CS..Hα-helixtrans-65.3-42.9176.4-71.9173.5000112.3L3 L6 N7 R8 E9 L14 F15 Q32 L33 V36L3-L11 HydrophobicContact CD2-CD2 3.81Å; L3-L11 WeakPolarHBondContact O-CD2 3.22Å; L6-L11 HydrophobicContact CB-CD2 4.08Å; L6-L11 HydrophobicContact CB-CG 4.02Å; L6-L11 HydrophobicContact CD1-CD2 4.33Å; N7-L11 WeakPolarHBondContact O-CG 3.45Å; N7-L11 PolarHBondContact O-N 3.07Å; R8-L11 PolarHBondContact O-N 2.94Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.27Å; L11-F15 WeakPolarHBondContact O-CB 3.29Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 PolarHBondContact O-N 3.24Å; L11-Q32 HydrophobicContact CD1-CG 4.08Å; L11-L33 HydrophobicContact CD1-CD2 4.35Å; L11-L33 HydrophobicContact CD2-CD2 3.77Å; L11-V36 HydrophobicContact CB-CG1 4.12Å; L11-V36 HydrophobicContact CB-CG2 3.79Å; L11-V36 HydrophobicContact CD1-CG2 3.95Å; L11-V36 HydrophobicContact CG-CG2 4.49Å
12L92.3Very high87.3Confident24 Ų2478.7 Ų78.713%0.12640%0.396CS..Hα-helixtrans-62.8-43.7175-74.1170.5000111.5R8 E9 L14 F15 S16 V36 D39 L42R8-L12 HydrophobicContact CG-CD1 4.26Å; R8-L12 WeakPolarHBondContact O-CG 3.46Å; R8-L12 PolarHBondContact O-N 3.43Å; E9-L12 PolarHBondContact O-N 3.4Å; L12-L14 PolarHBondContact O-N 2.91Å; L12-F15 PolarHBondContact O-N 3.29Å; L12-S16 PolarHBondContact O-N 3.48Å; L12-V36 HydrophobicContact CD2-CG1 3.87Å; L12-V36 HydrophobicContact CG-CG1 4.33Å; L12-D39 HydrophobicContact CD2-CB 3.65Å; L12-L42 HydrophobicContact CD2-CD1 4.22Å; L12-L42 HydrophobicContact CD2-CD2 4.09Å; L12-L42 HydrophobicContact CD2-CG 4Å
13H92Very high88.2Confident118 Ų11873.2 Ų73.255%0.54637%0.37SS..Hα-helixtrans-60.6-45.1176.1-173-104.5000111.2E9 C10 S16 F17E9-H13 WeakPolarHBondContact O-CB 3.47Å; E9-H13 PolarHBondContact O-N 3.27Å; C10-H13 PolarHBondContact O-N 2.94Å; H13-S16 WeakPolarHBondContact O-CB 3.38Å; H13-S16 PolarHBondContact O-N 3.18Å; H13-S16 PolarHBondContact O-OG 2.87Å; H13-F17 AromaticContact CE1-CE2 3.45Å; H13-F17 VanDerWaalsContact CE1-CE2 3.45Å; H13-F17 WeakPolarHBondContact CE1-CE2 3.34Å; H13-F17 AromaticContact CE1-CZ 3.89Å; H13-F17 AromaticContact ND1-CE2 3.75Å; H13-F17 AromaticContact NE2-CE2 3.78Å; H13-F17 AromaticContact NE2-CZ 3.97Å; H13-F17 WeakPolarHBondContact O-CD2 3.22Å; H13-F17 WeakPolarHBondContact O-CE2 3.42Å
14L92.1Very high89Confident74 Ų7473.1 Ų73.139%0.38736%0.364SS..Hα-helixtrans-62-45.9174.8-73.9171.1000112.3L3 L6 C10 L11 L12 S16 F17L3-L14 HydrophobicContact CD2-CD1 4.21Å; L6-L14 HydrophobicContact CD1-CD1 3.42Å; L6-L14 VanDerWaalsContact CD1-CD1 3.42Å; C10-L14 WeakPolarHBondContact O-CB 3.13Å; C10-L14 VanDerWaalsContact O-CG 3.29Å; C10-L14 WeakPolarHBondContact O-CG 3.49Å; C10-L14 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 3.27Å; L12-L14 PolarHBondContact O-N 2.91Å; L14-S16 PolarHBondContact O-N 3.29Å; L14-F17 PolarHBondContact O-N 3.36Å
15F92.6Very high89.9Confident1 Ų173.6 Ų73.60%0.00437%0.37CS..Hα-helixtrans-63.4-28.6178.7-88.5-126.9000112.2L11 L12 F17 L18 R23 L26 L33 V36 L42L11-F15 WeakPolarHBondContact O-CB 3.29Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 PolarHBondContact O-N 3.24Å; L12-F15 PolarHBondContact O-N 3.29Å; F15-F17 PolarHBondContact O-N 2.75Å; F15-L18 HydrophobicContact CD2-CD1 4.31Å; F15-L18 HydrophobicContact CG-CD1 4.47Å; F15-L18 WeakPolarHBondContact O-CB 3.38Å; F15-L18 PolarHBondContact O-N 2.62Å; F15-R23 HydrophobicContact CD1-CB 4.13Å; F15-R23 HydrophobicContact CD1-CG 3.95Å; F15-R23 HydrophobicContact CE1-CB 4.36Å; F15-R23 PolarHBondContact O-NE 3.27Å; F15-R23 PolarHBondContact O-NH2 2.94Å; F15-L26 HydrophobicContact CE1-CB 4.39Å; F15-L26 HydrophobicContact CE2-CB 4.44Å; F15-L26 HydrophobicContact CE2-CD1 3.84Å; F15-L26 HydrophobicContact CZ-CB 3.75Å; F15-L26 HydrophobicContact CZ-CD1 3.93Å; F15-L33 HydrophobicContact CE2-CD2 3.79Å; F15-L33 HydrophobicContact CZ-CB 4.16Å; F15-L33 HydrophobicContact CZ-CD2 3.91Å; F15-V36 HydrophobicContact CB-CG1 4.21Å; F15-V36 HydrophobicContact CD1-CG1 3.8Å; F15-V36 HydrophobicContact CD2-CG1 3.92Å; F15-V36 HydrophobicContact CE1-CB 4.49Å; F15-V36 HydrophobicContact CE1-CG1 4.12Å; F15-V36 HydrophobicContact CE2-CG1 4.23Å; F15-V36 HydrophobicContact CG-CG1 3.7Å; F15-V36 HydrophobicContact CZ-CG1 4.33Å; F15-L42 HydrophobicContact CB-CD1 3.74Å; F15-L42 HydrophobicContact CB-CD2 3.72Å; F15-L42 HydrophobicContact CB-CG 4.41Å; F15-L42 HydrophobicContact CD1-CD1 3.84Å; F15-L42 HydrophobicContact CG-CD1 4.21Å
16S90.8Very high90.2Very high59 Ų5969.1 Ų69.141%0.41335%0.35SS..Hα-helixtrans-59.4-33177.981.90000112.8L12 H13 L14 R23L12-S16 PolarHBondContact O-N 3.48Å; H13-S16 WeakPolarHBondContact O-CB 3.38Å; H13-S16 PolarHBondContact O-N 3.18Å; H13-S16 PolarHBondContact O-OG 2.87Å; L14-S16 PolarHBondContact O-N 3.29Å; S16-R23 PolarHBondContact O-NH2 3.26Å
17F90.9Very high90.5Very high152 Ų15267.2 Ų67.267%0.66734%0.342SS*.THydrogen-bonded Turntrans-80.6-12.3177-63-77.5000114.3H13 L14 F15H13-F17 AromaticContact CE1-CE2 3.45Å; H13-F17 VanDerWaalsContact CE1-CE2 3.45Å; H13-F17 WeakPolarHBondContact CE1-CE2 3.34Å; H13-F17 AromaticContact CE1-CZ 3.89Å; H13-F17 AromaticContact ND1-CE2 3.75Å; H13-F17 AromaticContact NE2-CE2 3.78Å; H13-F17 AromaticContact NE2-CZ 3.97Å; H13-F17 WeakPolarHBondContact O-CD2 3.22Å; H13-F17 WeakPolarHBondContact O-CE2 3.42Å; L14-F17 PolarHBondContact O-N 3.36Å; F15-F17 PolarHBondContact O-N 2.75Å
18L89.7Confident90.5Very high54 Ų5469.2 Ų69.228%0.28335%0.352SS..SBendtrans-87.6146.1-178.3-60.8178.6000111.1F15 R23 L26F15-L18 HydrophobicContact CD2-CD1 4.31Å; F15-L18 HydrophobicContact CG-CD1 4.47Å; F15-L18 WeakPolarHBondContact O-CB 3.38Å; F15-L18 PolarHBondContact O-N 2.62Å; L18-R23 HydrophobicContact CB-CG 3.69Å; L18-R23 VanDerWaalsContact O-CZ 3.28Å; L18-R23 PolarHBondContact O-NE 3.48Å; L18-R23 PolarHBondContact O-NH2 3.18Å; L18-L26 HydrophobicContact CD1-CD1 3.23Å; L18-L26 HydrophobicContact CD1-CG 4.46Å
19N88.6Confident90.7Very high93 Ų9366.6 Ų66.650%0.49735%0.352SS..  trans-73164.9168.268.548.9000110.9D21 S22 R23N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 3.02Å; N19-D21 PolarHBondContact OD1-N 3.22Å; N19-D21 VanDerWaalsContact OD1-N 3.13Å; N19-S22 PolarHBondContact ND2-OG 3.12Å; N19-S22 PolarHBondContact O-N 2.83Å; N19-S22 WeakPolarHBondContact OD1-CB 3.37Å; N19-S22 PolarHBondContact OD1-N 3.38Å; N19-S22 PolarHBondContact OD1-OG 3.07Å; N19-S22 VanDerWaalsContact OD1-OG 3.12Å; N19-R23 WeakPolarHBondContact O-CG 3.47Å; N19-R23 PolarHBondContact O-N 3.3Å
20K87.5Confident90.6Very high29 Ų2961.4 Ų61.413%0.12633%0.332CS..Hα-helixtrans-54.7-38.9-177.165.3-175-179.6-171.70113.9R23 R24 W43 H47K20-R23 PolarHBondContact O-N 3.11Å; K20-R24 WeakPolarHBondContact O-CB 3.14Å; K20-R24 PolarHBondContact O-N 2.61Å; K20-W43 HydrophobicContact CB-CH2 4.18Å; K20-W43 HydrophobicContact CB-CZ3 3.78Å; K20-H47 PolarHBondContact NZ-O 3.31Å
21D86.7Confident90.6Very high79 Ų7968.1 Ų68.142%0.42235%0.35SS..Hα-helixtrans-74.2-37.3-177.2-59.6-51.2000111.6N19 R24 S25N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 3.02Å; N19-D21 PolarHBondContact OD1-N 3.22Å; N19-D21 VanDerWaalsContact OD1-N 3.13Å; D21-R24 PolarHBondContact O-N 3.46Å; D21-S25 WeakPolarHBondContact O-CB 3.24Å; D21-S25 PolarHBondContact O-N 2.91Å; D21-S25 PolarHBondContact O-OG 3.25Å
22S90.6Very high90.6Very high45 Ų4571.4 Ų71.432%0.31537%0.365SS..Hα-helixtrans-67-44172.1-63.20000111.5N19 R24 S25 L26N19-S22 PolarHBondContact ND2-OG 3.12Å; N19-S22 PolarHBondContact O-N 2.83Å; N19-S22 WeakPolarHBondContact OD1-CB 3.37Å; N19-S22 PolarHBondContact OD1-N 3.38Å; N19-S22 PolarHBondContact OD1-OG 3.07Å; N19-S22 VanDerWaalsContact OD1-OG 3.12Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.34Å; S22-S25 PolarHBondContact O-N 2.94Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.05Å
23R91.4Very high90.5Very high23 Ų2370.5 Ų70.59%0.08736%0.36CS..Hα-helixtrans-57.9-45.1173.9-67.7175.7-171.3170.50.5110.8F15 S16 L18 N19 K20 L26 S27 Y37 L42F15-R23 HydrophobicContact CD1-CB 4.13Å; F15-R23 HydrophobicContact CD1-CG 3.95Å; F15-R23 HydrophobicContact CE1-CB 4.36Å; F15-R23 PolarHBondContact O-NE 3.27Å; F15-R23 PolarHBondContact O-NH2 2.94Å; S16-R23 PolarHBondContact O-NH2 3.26Å; L18-R23 HydrophobicContact CB-CG 3.69Å; L18-R23 VanDerWaalsContact O-CZ 3.28Å; L18-R23 PolarHBondContact O-NE 3.48Å; L18-R23 PolarHBondContact O-NH2 3.18Å; N19-R23 WeakPolarHBondContact O-CG 3.47Å; N19-R23 PolarHBondContact O-N 3.3Å; K20-R23 PolarHBondContact O-N 3.11Å; R23-L26 PolarHBondContact O-N 3.05Å; R23-S27 PolarHBondContact O-N 3.43Å; R23-Y37 HydrophobicContact CB-CD2 3.86Å; R23-Y37 HydrophobicContact CB-CE2 4.21Å; R23-L42 PolarHBondContact NH1-O 2.85Å
24R89.1Confident90.4Very high73 Ų7372.5 Ų72.528%0.27536%0.363SS..Hα-helixtrans-61.6-49.9176.4-179.1-178.3172.4163.26.2111.3K20 D21 S22 L26 S27 L28 Y37 D57K20-R24 WeakPolarHBondContact O-CB 3.14Å; K20-R24 PolarHBondContact O-N 2.61Å; D21-R24 PolarHBondContact O-N 3.46Å; S22-R24 VanDerWaalsContact C-N 3.3Å; S22-R24 PolarHBondContact O-N 3.34Å; R24-L26 VanDerWaalsContact C-N 3.26Å; R24-L26 PolarHBondContact O-N 3.32Å; R24-S27 WeakPolarHBondContact O-CB 3.33Å; R24-S27 PolarHBondContact O-N 3.39Å; R24-S27 PolarHBondContact O-OG 3.22Å; R24-L28 PolarHBondContact O-N 2.69Å; R24-Y37 HydrophobicContact CB-CE2 3.9Å; R24-D57 VanDerWaalsContact CZ-CG 3.46Å; R24-D57 IonicContact CZ-OD1 3.72Å; R24-D57 IonicContact CZ-OD2 3.79Å; R24-D57 VanDerWaalsContact CZ-OD2 3.27Å; R24-D57 IonicContact NH1-OD1 2.7Å; R24-D57 PolarHBondContact NH1-OD1 3.2Å; R24-D57 IonicContact NH1-OD2 2.66Å; R24-D57 PolarHBondContact NH1-OD2 3.31Å; R24-D57 VanDerWaalsContact NH1-OD2 3.12Å; R24-D57 VanDerWaalsContact NH2-CG 3.26Å; R24-D57 IonicContact NH2-OD1 3.04Å; R24-D57 IonicContact NH2-OD2 2.97Å; R24-D57 PolarHBondContact NH2-OD2 2.8Å
25S91.1Very high90.4Very high78 Ų7873.9 Ų73.955%0.54537%0.367SS..Hα-helixtrans-55.3-42.3178.5-640000111.9D21 S22 L28D21-S25 WeakPolarHBondContact O-CB 3.24Å; D21-S25 PolarHBondContact O-N 2.91Å; D21-S25 PolarHBondContact O-OG 3.25Å; S22-S25 PolarHBondContact O-N 2.94Å; S25-L28 PolarHBondContact O-N 3.23Å
26L90.1Very high90.4Very high49 Ų4974 Ų7426%0.25737%0.369SS..Hα-helixtrans-67.8-37.3175.5-70.3179.4000113F15 L18 S22 R23 R24 L28 T29F15-L26 HydrophobicContact CE1-CB 4.39Å; F15-L26 HydrophobicContact CE2-CB 4.44Å; F15-L26 HydrophobicContact CE2-CD1 3.84Å; F15-L26 HydrophobicContact CZ-CB 3.75Å; F15-L26 HydrophobicContact CZ-CD1 3.93Å; L18-L26 HydrophobicContact CD1-CD1 3.23Å; L18-L26 HydrophobicContact CD1-CG 4.46Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.05Å; R23-L26 PolarHBondContact O-N 3.05Å; R24-L26 VanDerWaalsContact C-N 3.26Å; R24-L26 PolarHBondContact O-N 3.32Å; L26-L28 PolarHBondContact O-N 2.91Å; L26-L28 VanDerWaalsContact O-N 3.15Å; L26-T29 WeakPolarHBondContact O-CB 3.5Å; L26-T29 PolarHBondContact O-N 3.49Å; L26-T29 PolarHBondContact O-OG1 3Å
27S91.3Very high90.5Very high13 Ų1371.9 Ų71.99%0.09135%0.352CS..Hα-helixtrans-60.1-24.3178.181.70000113.5R23 R24 T29 R34 Y37R23-S27 PolarHBondContact O-N 3.43Å; R24-S27 WeakPolarHBondContact O-CB 3.33Å; R24-S27 PolarHBondContact O-N 3.39Å; R24-S27 PolarHBondContact O-OG 3.22Å; S27-T29 VanDerWaalsContact C-N 3.3Å; S27-R34 WeakPolarHBondContact O-CB 3.44Å; S27-Y37 VanDerWaalsContact CB-CB 3.5Å
28L90.9Very high90.5Very high133 Ų13368.9 Ų68.970%0.69634%0.342SS*.THydrogen-bonded Turntrans-80.2-11.1179.3-62.2175.4000113.2R24 S25 L26R24-L28 PolarHBondContact O-N 2.69Å; S25-L28 PolarHBondContact O-N 3.23Å; L26-L28 PolarHBondContact O-N 2.91Å; L26-L28 VanDerWaalsContact O-N 3.15Å
29T91.9Very high90.6Very high94 Ų9467.2 Ų67.258%0.57733%0.334SS*.THydrogen-bonded Turntrans-83.2-39.3-17463.80000113.2L26 S27 L33L26-T29 WeakPolarHBondContact O-CB 3.5Å; L26-T29 PolarHBondContact O-N 3.49Å; L26-T29 PolarHBondContact O-OG1 3Å; S27-T29 VanDerWaalsContact C-N 3.3Å; T29-L33 VanDerWaalsContact OG1-CD1 3.27Å; T29-L33 WeakPolarHBondContact OG1-CD1 3.47Å
30C90.6Very high90.6Very high42 Ų4265.1 Ų65.128%0.28433%0.325SS..  trans-158.5163.217875.90000112.8Q32 L33 R34C30-Q32 PolarHBondContact O-N 3.42Å; C30-L33 PolarHBondContact O-N 3.15Å; C30-L33 VanDerWaalsContact SG-CG 3.56Å; C30-R34 PolarHBondContact O-N 3.45Å
31R90.9Very high90.8Very high197 Ų19766.7 Ų66.774%0.74334%0.339SS*.Hα-helixtrans-59.6-41.4-178-177.9178.4172165.32.5113.3L33 R34 E35R31-L33 PolarHBondContact O-N 3.28Å; R31-R34 WeakPolarHBondContact O-CB 3.38Å; R31-R34 PolarHBondContact O-N 3.4Å; R31-E35 IonicContact CZ-OE1 3.44Å; R31-E35 IonicContact NE-OE1 2.7Å; R31-E35 PolarHBondContact NE-OE1 2.78Å; R31-E35 IonicContact NH2-OE1 2.63Å; R31-E35 WeakPolarHBondContact O-CG 3.27Å; R31-E35 PolarHBondContact O-N 3.29Å
32Q90.7Very high91Very high69 Ų6963.2 Ų63.232%0.32232%0.32SS..Hα-helixtrans-60.9-45-179.9-173.6-17612.300111.5T4 L6 L11 C30 R34 E35 V36T4-Q32 PolarHBondContact O-NE2 3.27Å; T4-Q32 PolarHBondContact O-OE1 3.4Å; T4-Q32 VanDerWaalsContact O-OE1 3.12Å; L6-Q32 PolarHBondContact O-NE2 3.37Å; L11-Q32 HydrophobicContact CD1-CG 4.08Å; C30-Q32 PolarHBondContact O-N 3.42Å; Q32-R34 VanDerWaalsContact C-N 3.31Å; Q32-R34 PolarHBondContact O-N 2.66Å; Q32-E35 PolarHBondContact O-N 3.06Å; Q32-V36 WeakPolarHBondContact O-CG2 3.43Å; Q32-V36 PolarHBondContact O-N 2.86Å; Q32-V36 VanDerWaalsContact O-N 3.11Å
33L90.8Very high91.1Very high6 Ų661.3 Ų61.33%0.03131%0.306CS..Hα-helixtrans-71.1-28.7177.9-65.2-179.7000112.2L3 L11 F15 T29 C30 R31 Y37L3-L33 HydrophobicContact CD2-CD2 4.46Å; L11-L33 HydrophobicContact CD1-CD2 4.35Å; L11-L33 HydrophobicContact CD2-CD2 3.77Å; F15-L33 HydrophobicContact CE2-CD2 3.79Å; F15-L33 HydrophobicContact CZ-CB 4.16Å; F15-L33 HydrophobicContact CZ-CD2 3.91Å; T29-L33 VanDerWaalsContact OG1-CD1 3.27Å; T29-L33 WeakPolarHBondContact OG1-CD1 3.47Å; C30-L33 PolarHBondContact O-N 3.15Å; C30-L33 VanDerWaalsContact SG-CG 3.56Å; R31-L33 PolarHBondContact O-N 3.28Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 PolarHBondContact O-N 2.81Å
34R91.2Very high91.2Very high159 Ų15964 Ų6460%0.632%0.322SS*.Hα-helixtrans-64.8-42.3169.6-169.9176176.1179.5-1.2112.5S27 C30 R31 Q32 V36 Y37 L38S27-R34 WeakPolarHBondContact O-CB 3.44Å; C30-R34 PolarHBondContact O-N 3.45Å; R31-R34 WeakPolarHBondContact O-CB 3.38Å; R31-R34 PolarHBondContact O-N 3.4Å; Q32-R34 VanDerWaalsContact C-N 3.31Å; Q32-R34 PolarHBondContact O-N 2.66Å; R34-V36 VanDerWaalsContact C-N 3.33Å; R34-Y37 WeakPolarHBondContact O-CB 3.36Å; R34-Y37 PolarHBondContact O-N 3.04Å; R34-L38 HydrophobicContact CG-CD1 4.39Å; R34-L38 VanDerWaalsContact O-CG 3.32Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.38Å
35E91.4Very high91.4Very high103 Ų10365.2 Ų65.248%0.48133%0.334SS..Hα-helixtrans-64.8-38.4176.8-72.3172.2-171.200111.7R31 Q32 L38R31-E35 IonicContact CZ-OE1 3.44Å; R31-E35 IonicContact NE-OE1 2.7Å; R31-E35 PolarHBondContact NE-OE1 2.78Å; R31-E35 IonicContact NH2-OE1 2.63Å; R31-E35 WeakPolarHBondContact O-CG 3.27Å; R31-E35 PolarHBondContact O-N 3.29Å; Q32-E35 PolarHBondContact O-N 3.06Å; E35-L38 PolarHBondContact O-N 3.12Å
36V92.6Very high91.5Very high5 Ų561.6 Ų61.63%0.0331%0.308CS..Hα-helixtrans-64.8-45.9173.2176.20000111L11 L12 F15 Q32 R34 L38 D39 L42L11-V36 HydrophobicContact CB-CG1 4.12Å; L11-V36 HydrophobicContact CB-CG2 3.79Å; L11-V36 HydrophobicContact CD1-CG2 3.95Å; L11-V36 HydrophobicContact CG-CG2 4.49Å; L12-V36 HydrophobicContact CD2-CG1 3.87Å; L12-V36 HydrophobicContact CG-CG1 4.33Å; F15-V36 HydrophobicContact CB-CG1 4.21Å; F15-V36 HydrophobicContact CD1-CG1 3.8Å; F15-V36 HydrophobicContact CD2-CG1 3.92Å; F15-V36 HydrophobicContact CE1-CB 4.49Å; F15-V36 HydrophobicContact CE1-CG1 4.12Å; F15-V36 HydrophobicContact CE2-CG1 4.23Å; F15-V36 HydrophobicContact CG-CG1 3.7Å; F15-V36 HydrophobicContact CZ-CG1 4.33Å; Q32-V36 WeakPolarHBondContact O-CG2 3.43Å; Q32-V36 PolarHBondContact O-N 2.86Å; Q32-V36 VanDerWaalsContact O-N 3.11Å; R34-V36 VanDerWaalsContact C-N 3.33Å; V36-L38 VanDerWaalsContact C-N 3.26Å; V36-L38 PolarHBondContact O-N 3.35Å; V36-D39 VanDerWaalsContact O-CB 3.24Å; V36-D39 WeakPolarHBondContact O-CB 3.27Å; V36-D39 PolarHBondContact O-N 3.39Å; V36-L42 HydrophobicContact CG1-CD1 4.33Å; V36-L42 WeakPolarHBondContact O-CD1 3.41Å
37Y91.9Very high91.5Very high14 Ų1463.7 Ų63.76%0.05532%0.316CS..Hα-helixtrans-56.4-39176.5170.5-88.9000112.9R23 R24 S27 L33 R34 D39 W43 D57 N58 Y59 V60R23-Y37 HydrophobicContact CB-CD2 3.86Å; R23-Y37 HydrophobicContact CB-CE2 4.21Å; R24-Y37 HydrophobicContact CB-CE2 3.9Å; S27-Y37 VanDerWaalsContact CB-CB 3.5Å; L33-Y37 WeakPolarHBondContact O-CB 3.47Å; L33-Y37 PolarHBondContact O-N 2.81Å; R34-Y37 WeakPolarHBondContact O-CB 3.36Å; R34-Y37 PolarHBondContact O-N 3.04Å; Y37-D39 PolarHBondContact O-N 2.74Å; Y37-W43 HydrophobicContact CD2-CH2 4.32Å; Y37-W43 AromaticContact CD2-CZ2 3.77Å; Y37-W43 HydrophobicContact CD2-CZ2 3.77Å; Y37-W43 HydrophobicContact CE1-CZ2 4.21Å; Y37-W43 AromaticContact CE2-CH2 3.57Å; Y37-W43 HydrophobicContact CE2-CH2 3.57Å; Y37-W43 AromaticContact CE2-CZ2 3.35Å; Y37-W43 HydrophobicContact CE2-CZ2 3.35Å; Y37-W43 HydrophobicContact CG-CZ2 4.36Å; Y37-W43 AromaticContact CZ-CH2 3.91Å; Y37-W43 AromaticContact CZ-CZ2 3.58Å; Y37-W43 PolarHBondContact O-NE1 3.02Å; Y37-D57 PolarHBondContact OH-O 3.11Å; Y37-N58 VanDerWaalsContact OH-CA 3.26Å; Y37-N58 WeakPolarHBondContact OH-CA 3.42Å; Y37-N58 PolarHBondContact OH-O 3.03Å; Y37-Y59 PolarHBondContact OH-N 3.4Å; Y37-V60 HydrophobicContact CE1-CG2 4.25Å
38L91.6Very high91.3Very high88 Ų8863 Ų6346%0.46131%0.312SS..THydrogen-bonded Turntrans-74-7.4-179.5-69.5173.2000113.6R34 E35 V36 P40 V60R34-L38 HydrophobicContact CG-CD1 4.39Å; R34-L38 VanDerWaalsContact O-CG 3.32Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.38Å; E35-L38 PolarHBondContact O-N 3.12Å; V36-L38 VanDerWaalsContact C-N 3.26Å; V36-L38 PolarHBondContact O-N 3.35Å; L38-P40 WeakPolarHBondContact O-CD 3.49Å; L38-V60 HydrophobicContact CD2-CG2 4.03Å
39D92.1Very high90.9Very high20 Ų2059.4 Ų59.411%0.10730%0.298CS..  trans-67.6121.3-179.6-165.8-55000111.1R8 L12 V36 Y37 C41 L42R8-D39 IonicContact CZ-OD2 3.23Å; R8-D39 IonicContact NH1-OD2 3.52Å; R8-D39 IonicContact NH2-OD2 3.41Å; R8-D39 PolarHBondContact NH2-OD2 3.01Å; L12-D39 HydrophobicContact CD2-CB 3.65Å; V36-D39 VanDerWaalsContact O-CB 3.24Å; V36-D39 WeakPolarHBondContact O-CB 3.27Å; V36-D39 PolarHBondContact O-N 3.39Å; Y37-D39 PolarHBondContact O-N 2.74Å; D39-C41 VanDerWaalsContact CG-SG 3.58Å; D39-C41 PolarHBondContact O-N 2.97Å; D39-C41 VanDerWaalsContact O-N 3.12Å; D39-C41 WeakPolarHBondContact OD1-CB 3.34Å; D39-C41 PolarHBondContact OD1-N 2.82Å; D39-C41 PolarHBondContact OD1-SG 3.08Å; D39-L42 PolarHBondContact O-N 3.01Å
40P89.2Confident90.1Very high48 Ų4857 Ų5731%0.31228%0.284SS..G310 helixtrans-57.2-27.2-180-26.635.9000114.3L38 L42 W43 S64L38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-L42 PolarHBondContact O-N 2.97Å; P40-W43 PolarHBondContact O-N 3.48Å; P40-S64 WeakPolarHBondContact O-CB 3.32Å
41C90.3Very high89.2Confident62 Ų6255.7 Ų55.742%0.41928%0.276SS..G310 helixtrans-63.7-24.9-176.876.80000113.2D39 W43D39-C41 VanDerWaalsContact CG-SG 3.58Å; D39-C41 PolarHBondContact O-N 2.97Å; D39-C41 VanDerWaalsContact O-N 3.12Å; D39-C41 WeakPolarHBondContact OD1-CB 3.34Å; D39-C41 PolarHBondContact OD1-N 2.82Å; D39-C41 PolarHBondContact OD1-SG 3.08Å; C41-W43 PolarHBondContact O-N 2.73Å
42L91.8Very high88.3Confident7 Ų750 Ų504%0.03727%0.265CS..G310 helixtrans-70.4-22.1175.9-64179.7000112.4L12 F15 R23 V36 D39 P40L12-L42 HydrophobicContact CD2-CD1 4.22Å; L12-L42 HydrophobicContact CD2-CD2 4.09Å; L12-L42 HydrophobicContact CD2-CG 4Å; F15-L42 HydrophobicContact CB-CD1 3.74Å; F15-L42 HydrophobicContact CB-CD2 3.72Å; F15-L42 HydrophobicContact CB-CG 4.41Å; F15-L42 HydrophobicContact CD1-CD1 3.84Å; F15-L42 HydrophobicContact CG-CD1 4.21Å; R23-L42 PolarHBondContact NH1-O 2.85Å; V36-L42 HydrophobicContact CG1-CD1 4.33Å; V36-L42 WeakPolarHBondContact O-CD1 3.41Å; D39-L42 PolarHBondContact O-N 3.01Å; P40-L42 PolarHBondContact O-N 2.97Å
43W92.1Very high87.6Confident4 Ų448.8 Ų48.82%0.01526%0.26CS..G310 helixtrans-105.739.3-169.4-51.898.9000112K20 Y37 P40 C41 L45 L46 N58 V60 L65K20-W43 HydrophobicContact CB-CH2 4.18Å; K20-W43 HydrophobicContact CB-CZ3 3.78Å; Y37-W43 HydrophobicContact CD2-CH2 4.32Å; Y37-W43 AromaticContact CD2-CZ2 3.77Å; Y37-W43 HydrophobicContact CD2-CZ2 3.77Å; Y37-W43 HydrophobicContact CE1-CZ2 4.21Å; Y37-W43 AromaticContact CE2-CH2 3.57Å; Y37-W43 HydrophobicContact CE2-CH2 3.57Å; Y37-W43 AromaticContact CE2-CZ2 3.35Å; Y37-W43 HydrophobicContact CE2-CZ2 3.35Å; Y37-W43 HydrophobicContact CG-CZ2 4.36Å; Y37-W43 AromaticContact CZ-CH2 3.91Å; Y37-W43 AromaticContact CZ-CZ2 3.58Å; Y37-W43 PolarHBondContact O-NE1 3.02Å; P40-W43 PolarHBondContact O-N 3.48Å; C41-W43 PolarHBondContact O-N 2.73Å; W43-L45 VanDerWaalsContact C-N 3.25Å; W43-L45 PolarHBondContact O-N 2.89Å; W43-L46 HydrophobicContact CE3-CD2 3.66Å; W43-L46 HydrophobicContact CZ3-CD2 4.21Å; W43-N58 WeakPolarHBondContact CH2-O 3.44Å; W43-V60 WeakPolarHBondContact CB-O 3.05Å; W43-V60 HydrophobicContact CD2-CB 4.46Å; W43-V60 HydrophobicContact CG-CB 4.11Å; W43-V60 HydrophobicContact CZ2-CG2 4.49Å; W43-L65 WeakPolarHBondContact O-CA 3.17Å; W43-L65 WeakPolarHBondContact O-CD1 3.33Å
44N93.6Very high86.7Confident80 Ų8049.1 Ų49.143%0.42826%0.261SS..SBendtrans-69.5-25.2174.968.8-5.3000113S64 R66 Y67N44-S64 WeakPolarHBondContact CA-O 3.28Å; N44-R66 PolarHBondContact O-N 3.25Å; N44-Y67 PolarHBondContact O-N 3.4Å
45L93.4Very high85.7Confident98 Ų9849.2 Ų49.251%0.51326%0.262SS..EExtended strand (participates in β ladder)trans-131.6124.5-179.1-175.7154.7000109.2W43 H47 Y67W43-L45 VanDerWaalsContact C-N 3.25Å; W43-L45 PolarHBondContact O-N 2.89Å; L45-H47 HydrophobicContact CD2-CB 4.32Å; L45-Y67 WeakPolarHBondContact CA-O 3.27Å
46L93Very high84.4Confident3 Ų351.1 Ų51.12%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-121.5125.1172.5-71.9176.4000110.1W43 F48 Y59 L61 L65 Y67 L68 T69W43-L46 HydrophobicContact CE3-CD2 3.66Å; W43-L46 HydrophobicContact CZ3-CD2 4.21Å; L46-F48 HydrophobicContact CB-CE2 3.77Å; L46-F48 HydrophobicContact CB-CZ 4.21Å; L46-F48 HydrophobicContact CD1-CE2 4.32Å; L46-F48 HydrophobicContact CD1-CZ 4.3Å; L46-F48 HydrophobicContact CD2-CZ 4.34Å; L46-F48 HydrophobicContact CG-CE2 4.5Å; L46-Y59 HydrophobicContact CD1-CD2 4.46Å; L46-Y59 HydrophobicContact CD1-CG 4.46Å; L46-Y59 HydrophobicContact CD2-CG 4.48Å; L46-L61 HydrophobicContact CD1-CD2 3.76Å; L46-L65 HydrophobicContact CB-CD1 3.97Å; L46-L65 HydrophobicContact CD1-CD1 3.71Å; L46-L65 HydrophobicContact CD1-CD2 4.09Å; L46-L65 HydrophobicContact CG-CD1 3.63Å; L46-Y67 PolarHBondContact N-O 2.78Å; L46-L68 HydrophobicContact CB-CD1 3.95Å; L46-L68 WeakPolarHBondContact O-CA 3.26Å; L46-T69 PolarHBondContact O-N 2.8Å
47H90.5Very high83.5Confident92 Ų9254.6 Ų54.643%0.42628%0.283SS..EExtended strand (participates in β ladder)trans-124128175.1-179.8-130.2000110.2K20 L45 T69K20-H47 PolarHBondContact NZ-O 3.31Å; L45-H47 HydrophobicContact CD2-CB 4.32Å; H47-T69 CarbonylContact C-O 3.22Å; H47-T69 WeakPolarHBondContact CA-O 3.3Å; H47-T69 VanDerWaalsContact CD2-CG2 3.46Å; H47-T69 WeakPolarHBondContact CD2-CG2 3.27Å
48F87.8Confident82.9Confident0 Ų054.2 Ų54.20%028%0.282CS..EExtended strand (participates in β ladder)trans-123.1118.7178.7-58.9-79.4000109.7L46 Q53 L54 Y59 L68 T69 I70 C71 W72 F106L46-F48 HydrophobicContact CB-CE2 3.77Å; L46-F48 HydrophobicContact CB-CZ 4.21Å; L46-F48 HydrophobicContact CD1-CE2 4.32Å; L46-F48 HydrophobicContact CD1-CZ 4.3Å; L46-F48 HydrophobicContact CD2-CZ 4.34Å; L46-F48 HydrophobicContact CG-CE2 4.5Å; F48-Q53 HydrophobicContact CD1-CB 3.81Å; F48-Q53 WeakPolarHBondContact CD1-O 3.43Å; F48-Q53 WeakPolarHBondContact CE1-O 3.21Å; F48-L54 HydrophobicContact CD1-CD2 4.18Å; F48-L54 HydrophobicContact CD1-CG 4.32Å; F48-L54 HydrophobicContact CD2-CD2 4.07Å; F48-L54 HydrophobicContact CE1-CD2 4.33Å; F48-L54 HydrophobicContact CE2-CD2 4.19Å; F48-L54 HydrophobicContact CG-CD2 4.04Å; F48-L54 HydrophobicContact CG-CG 4.35Å; F48-L54 HydrophobicContact CZ-CD2 4.33Å; F48-Y59 AromaticContact CE1-CD1 3.54Å; F48-Y59 HydrophobicContact CE1-CD1 3.54Å; F48-Y59 AromaticContact CE1-CE1 3.77Å; F48-Y59 HydrophobicContact CE1-CE1 3.77Å; F48-Y59 AromaticContact CZ-CD1 3.45Å; F48-Y59 HydrophobicContact CZ-CD1 3.45Å; F48-Y59 VanDerWaalsContact CZ-CD1 3.45Å; F48-Y59 AromaticContact CZ-CE1 3.72Å; F48-Y59 HydrophobicContact CZ-CE1 3.72Å; F48-Y59 HydrophobicContact CZ-CG 4.08Å; F48-L68 HydrophobicContact CD2-CD1 4.04Å; F48-L68 HydrophobicContact CE2-CD1 3.81Å; F48-T69 PolarHBondContact N-O 3.32Å; F48-I70 HydrophobicContact CB-CG1 4.43Å; F48-I70 HydrophobicContact CD2-CG1 3.99Å; F48-C71 PolarHBondContact O-N 3.06Å; F48-W72 HydrophobicContact CB-CH2 4.42Å; F48-W72 HydrophobicContact CB-CZ3 4.37Å; F48-F106 HydrophobicContact CE2-CE1 4.26Å; F48-F106 HydrophobicContact CE2-CE2 4.46Å; F48-F106 AromaticContact CE2-CZ 3.76Å; F48-F106 HydrophobicContact CE2-CZ 3.76Å; F48-F106 HydrophobicContact CZ-CE2 4.48Å; F48-F106 HydrophobicContact CZ-CZ 4.19Å
49S81.6Confident82.7Confident57 Ų5750.5 Ų50.540%0.39926%0.262SS..SBendtrans-108.3-6.2179.558.10000113.9Q53 C71S49-Q53 VanDerWaalsContact N-OE1 3.11Å; S49-Q53 PolarHBondContact OG-NE2 2.66Å; S49-Q53 VanDerWaalsContact OG-NE2 3.12Å; S49-C71 CarbonylContact C-O 3.57Å; S49-C71 VanDerWaalsContact CA-O 3.23Å; S49-C71 WeakPolarHBondContact CA-O 3.33Å
50S75.2Confident82.6Confident42 Ų4251.1 Ų51.129%0.29427%0.266SS..SBendtrans-146.6143.7177.4169.20000111.5C52 Q53 W72S50-C52 PolarHBondContact O-N 3.13Å; S50-C52 VanDerWaalsContact O-N 3.16Å; S50-C52 PolarHBondContact OG-N 2.87Å; S50-Q53 VanDerWaalsContact O-CB 3.32Å; S50-Q53 WeakPolarHBondContact O-CB 3.37Å; S50-Q53 PolarHBondContact O-N 2.62Å; S50-W72 VanDerWaalsContact CA-CZ3 3.47Å; S50-W72 WeakPolarHBondContact O-CZ3 3.29Å
51P72.1Confident82.6Confident15 Ų1549.4 Ų49.410%0.09725%0.254CS..G310 helixtrans-56.1-32.3178.8-26.834.6000113.5Q53 L54 W72 H99P51-Q53 PolarHBondContact O-N 2.7Å; P51-Q53 VanDerWaalsContact O-N 3.1Å; P51-L54 PolarHBondContact O-N 3.13Å; P51-L54 VanDerWaalsContact O-N 3.08Å; P51-W72 HydrophobicContact CB-CH2 4.44Å; P51-W72 HydrophobicContact CG-CD2 4.43Å; P51-W72 HydrophobicContact CG-CE3 4.27Å; P51-W72 HydrophobicContact CG-CH2 4.29Å; P51-W72 HydrophobicContact CG-CZ2 4.42Å; P51-W72 HydrophobicContact CG-CZ3 4.26Å; P51-W72 VanDerWaalsContact N-CZ3 3.28Å; P51-H99 WeakPolarHBondContact CB-CE1 3.48Å; P51-H99 WeakPolarHBondContact CB-ND1 3.32Å
52C71.1Confident82.7Confident78 Ų7846.7 Ų46.753%0.52724%0.237SC..G310 helixtrans-60.5-21.7176.9-61.20000113.1S50 R55S50-C52 PolarHBondContact O-N 3.13Å; S50-C52 VanDerWaalsContact O-N 3.16Å; S50-C52 PolarHBondContact OG-N 2.87Å; C52-R55 WeakPolarHBondContact O-CD 3.37Å; C52-R55 WeakPolarHBondContact O-CG 3.42Å
53Q75.4Confident82.7Confident44 Ų4449.7 Ų49.721%0.20626%0.257CS..G310 helixtrans-84.3-11.4-179.8-60.8174.3900113.1F48 S49 S50 P51 R55 N58F48-Q53 HydrophobicContact CD1-CB 3.81Å; F48-Q53 WeakPolarHBondContact CD1-O 3.43Å; F48-Q53 WeakPolarHBondContact CE1-O 3.21Å; S49-Q53 VanDerWaalsContact N-OE1 3.11Å; S49-Q53 PolarHBondContact OG-NE2 2.66Å; S49-Q53 VanDerWaalsContact OG-NE2 3.12Å; S50-Q53 VanDerWaalsContact O-CB 3.32Å; S50-Q53 WeakPolarHBondContact O-CB 3.37Å; S50-Q53 PolarHBondContact O-N 2.62Å; P51-Q53 PolarHBondContact O-N 2.7Å; P51-Q53 VanDerWaalsContact O-N 3.1Å; Q53-R55 PolarHBondContact O-N 2.82Å; Q53-N58 PolarHBondContact O-ND2 3.46Å; Q53-N58 PolarHBondContact O-OD1 2.96Å; Q53-N58 VanDerWaalsContact O-OD1 3.12Å
54L73.8Confident82.8Confident13 Ų1351.1 Ų51.17%0.06827%0.267CS..G310 helixtrans-76.75.4176.3-80.5166.3000113.4F48 P51 W56 Y59 I70 W72 V103 F106F48-L54 HydrophobicContact CD1-CD2 4.18Å; F48-L54 HydrophobicContact CD1-CG 4.32Å; F48-L54 HydrophobicContact CD2-CD2 4.07Å; F48-L54 HydrophobicContact CE1-CD2 4.33Å; F48-L54 HydrophobicContact CE2-CD2 4.19Å; F48-L54 HydrophobicContact CG-CD2 4.04Å; F48-L54 HydrophobicContact CG-CG 4.35Å; F48-L54 HydrophobicContact CZ-CD2 4.33Å; P51-L54 PolarHBondContact O-N 3.13Å; P51-L54 VanDerWaalsContact O-N 3.08Å; L54-W56 PolarHBondContact O-N 2.94Å; L54-Y59 PolarHBondContact O-OH 2.95Å; L54-I70 HydrophobicContact CD2-CD1 4.36Å; L54-W72 HydrophobicContact CD1-CH2 3.46Å; L54-W72 VanDerWaalsContact CD1-CH2 3.46Å; L54-W72 HydrophobicContact CD1-CZ2 3.61Å; L54-W72 HydrophobicContact CG-CH2 4.08Å; L54-V103 HydrophobicContact CD1-CG2 4.21Å; L54-F106 HydrophobicContact CD2-CB 4.23Å; L54-F106 HydrophobicContact CD2-CD1 3.82Å; L54-F106 HydrophobicContact CD2-CD2 3.8Å; L54-F106 HydrophobicContact CD2-CE1 4.08Å; L54-F106 HydrophobicContact CD2-CE2 4.07Å; L54-F106 HydrophobicContact CD2-CG 3.66Å; L54-F106 HydrophobicContact CD2-CZ 4.2Å
55R69.3Low82.8Confident160 Ų16047.4 Ų47.460%0.60425%0.248SC*.  trans-64.7130.7176.6-67.9177.1-178.9-1751.2110.4C52 Q53 D57 N58 Y59C52-R55 WeakPolarHBondContact O-CD 3.37Å; C52-R55 WeakPolarHBondContact O-CG 3.42Å; Q53-R55 PolarHBondContact O-N 2.82Å; R55-D57 VanDerWaalsContact CB-OD1 3.31Å; R55-D57 WeakPolarHBondContact CB-OD1 3.5Å; R55-D57 PolarHBondContact O-N 2.88Å; R55-N58 PolarHBondContact O-N 3.31Å; R55-N58 PolarHBondContact O-OD1 2.93Å; R55-Y59 VanDerWaalsContact O-CE1 3.31Å; R55-Y59 WeakPolarHBondContact O-CE1 3.4Å
56W64.1Low83Confident143 Ų14346.5 Ų46.554%0.54224%0.238SC..THydrogen-bonded Turntrans-59.6-10.5-175.5-82.563.2000115.8L54 H109L54-W56 PolarHBondContact O-N 2.94Å; W56-H109 HydrophobicContact CH2-CB 4.16Å; W56-H109 AromaticContact CH2-CD2 3.24Å; W56-H109 WeakPolarHBondContact CH2-CD2 3.25Å; W56-H109 AromaticContact CH2-CG 3.68Å; W56-H109 AromaticContact CH2-NE2 3.67Å; W56-H109 HydrophobicContact CZ2-CB 3.97Å; W56-H109 AromaticContact CZ2-CD2 3.27Å; W56-H109 WeakPolarHBondContact CZ2-CD2 3.45Å; W56-H109 AromaticContact CZ2-CE1 3.59Å; W56-H109 AromaticContact CZ2-CG 3.34Å; W56-H109 AromaticContact CZ2-ND1 3.56Å; W56-H109 AromaticContact CZ2-NE2 3.42Å; W56-H109 WeakPolarHBondContact CZ2-NE2 3.37Å
57D72.7Confident83.2Confident79 Ų7951.3 Ų51.342%0.42226%0.256SS..THydrogen-bonded Turntrans-92.13.1-174.765.5-7.4000113.8R24 Y37 R55R24-D57 VanDerWaalsContact CZ-CG 3.46Å; R24-D57 IonicContact CZ-OD1 3.72Å; R24-D57 IonicContact CZ-OD2 3.79Å; R24-D57 VanDerWaalsContact CZ-OD2 3.27Å; R24-D57 IonicContact NH1-OD1 2.7Å; R24-D57 PolarHBondContact NH1-OD1 3.2Å; R24-D57 IonicContact NH1-OD2 2.66Å; R24-D57 PolarHBondContact NH1-OD2 3.31Å; R24-D57 VanDerWaalsContact NH1-OD2 3.12Å; R24-D57 VanDerWaalsContact NH2-CG 3.26Å; R24-D57 IonicContact NH2-OD1 3.04Å; R24-D57 IonicContact NH2-OD2 2.97Å; R24-D57 PolarHBondContact NH2-OD2 2.8Å; Y37-D57 PolarHBondContact OH-O 3.11Å; R55-D57 VanDerWaalsContact CB-OD1 3.31Å; R55-D57 WeakPolarHBondContact CB-OD1 3.5Å; R55-D57 PolarHBondContact O-N 2.88Å
58N79.9Confident83.4Confident6 Ų646.9 Ų46.93%0.03224%0.236CC..SBendtrans-124.75.5-176.873.92.3000115.4Y37 W43 Q53 R55Y37-N58 VanDerWaalsContact OH-CA 3.26Å; Y37-N58 WeakPolarHBondContact OH-CA 3.42Å; Y37-N58 PolarHBondContact OH-O 3.03Å; W43-N58 WeakPolarHBondContact CH2-O 3.44Å; Q53-N58 PolarHBondContact O-ND2 3.46Å; Q53-N58 PolarHBondContact O-OD1 2.96Å; Q53-N58 VanDerWaalsContact O-OD1 3.12Å; R55-N58 PolarHBondContact O-N 3.31Å; R55-N58 PolarHBondContact O-OD1 2.93Å
59Y87.4Confident83.7Confident10 Ų1048.4 Ų48.44%0.03925%0.245CC..  trans-148.1170.317157.5-98.4000111.3Y37 L46 F48 L54 R55 L61 F106Y37-Y59 PolarHBondContact OH-N 3.4Å; L46-Y59 HydrophobicContact CD1-CD2 4.46Å; L46-Y59 HydrophobicContact CD1-CG 4.46Å; L46-Y59 HydrophobicContact CD2-CG 4.48Å; F48-Y59 AromaticContact CE1-CD1 3.54Å; F48-Y59 HydrophobicContact CE1-CD1 3.54Å; F48-Y59 AromaticContact CE1-CE1 3.77Å; F48-Y59 HydrophobicContact CE1-CE1 3.77Å; F48-Y59 AromaticContact CZ-CD1 3.45Å; F48-Y59 HydrophobicContact CZ-CD1 3.45Å; F48-Y59 VanDerWaalsContact CZ-CD1 3.45Å; F48-Y59 AromaticContact CZ-CE1 3.72Å; F48-Y59 HydrophobicContact CZ-CE1 3.72Å; F48-Y59 HydrophobicContact CZ-CG 4.08Å; L54-Y59 PolarHBondContact O-OH 2.95Å; R55-Y59 VanDerWaalsContact O-CE1 3.31Å; R55-Y59 WeakPolarHBondContact O-CE1 3.4Å; Y59-L61 HydrophobicContact CD2-CD2 4.08Å; Y59-L61 HydrophobicContact CD2-CG 3.93Å; Y59-L61 HydrophobicContact CE2-CD1 4.16Å; Y59-L61 HydrophobicContact CE2-CD2 4.11Å; Y59-L61 HydrophobicContact CE2-CG 3.75Å; Y59-F106 HydrophobicContact CE1-CE2 4.27Å; Y59-F106 HydrophobicContact CE2-CD2 4.46Å; Y59-F106 AromaticContact CE2-CE2 3.7Å; Y59-F106 HydrophobicContact CE2-CE2 3.7Å; Y59-F106 AromaticContact CZ-CE2 3.54Å; Y59-F106 WeakPolarHBondContact OH-CD2 3.38Å; Y59-F106 WeakPolarHBondContact OH-CE2 3.44Å
60V89.7Confident84.1Confident32 Ų3245.7 Ų45.719%0.19423%0.226CC..  trans-123.7126.2167.8-178.30000108.6Y37 L38 W43Y37-V60 HydrophobicContact CE1-CG2 4.25Å; L38-V60 HydrophobicContact CD2-CG2 4.03Å; W43-V60 WeakPolarHBondContact CB-O 3.05Å; W43-V60 HydrophobicContact CD2-CB 4.46Å; W43-V60 HydrophobicContact CG-CB 4.11Å; W43-V60 HydrophobicContact CZ2-CG2 4.49Å
61L90.9Very high84.6Confident12 Ų1244 Ų446%0.06321%0.214CC..  trans-85.4145.8169.6-65.8179.6000109.6L46 Y59 L65 F106 H109 V110 M113L46-L61 HydrophobicContact CD1-CD2 3.76Å; Y59-L61 HydrophobicContact CD2-CD2 4.08Å; Y59-L61 HydrophobicContact CD2-CG 3.93Å; Y59-L61 HydrophobicContact CE2-CD1 4.16Å; Y59-L61 HydrophobicContact CE2-CD2 4.11Å; Y59-L61 HydrophobicContact CE2-CG 3.75Å; L61-L65 HydrophobicContact CD2-CD2 4.16Å; L61-F106 HydrophobicContact CD1-CE2 4.05Å; L61-F106 HydrophobicContact CD2-CE2 4.04Å; L61-F106 HydrophobicContact CD2-CZ 4.04Å; L61-F106 HydrophobicContact CG-CE2 4.46Å; L61-H109 HydrophobicContact CD1-CB 3.94Å; L61-V110 HydrophobicContact CD1-CG2 4.3Å; L61-V110 HydrophobicContact CD2-CG2 4.23Å; L61-M113 HydrophobicContact CB-CB 4.11Å; L61-M113 HydrophobicContact CB-CE 4.1Å; L61-M113 HydrophobicContact CB-SD 3.91Å; L61-M113 HydrophobicContact CD1-SD 4.46Å; L61-M113 VanDerWaalsContact O-CE 3.29Å; L61-M113 WeakPolarHBondContact O-CE 3.45Å
62G91.4Very high84.9Confident6 Ų644.1 Ų44.16%0.06221%0.212CC..SBendtrans177.1179.9178.100000112.9S64 L65 M113 C114G62-S64 PolarHBondContact O-N 2.77Å; G62-L65 PolarHBondContact O-N 3.2Å; G62-L65 VanDerWaalsContact O-N 3.11Å; G62-M113 CarbonylContact C-O 3.26Å; G62-M113 WeakPolarHBondContact CA-O 3.48Å; G62-C114 PolarHBondContact O-SG 3.37Å
63P91.2Very high84.3Confident69 Ų6946.3 Ų46.345%0.44821%0.211SC..THydrogen-bonded Turntrans-67.7-8.5-173.828.5-36.3000113.5R66 N116P63-R66 PolarHBondContact O-NH1 3.23Å; P63-N116 WeakPolarHBondContact O-CB 3.18Å; P63-N116 PolarHBondContact O-ND2 2.85Å
64S93.9Very high83.3Confident34 Ų3446.7 Ų46.724%0.23822%0.218CC..THydrogen-bonded Turntrans-82.9-15.2176.3-64.70000113.7P40 N44 G62 R66P40-S64 WeakPolarHBondContact O-CB 3.32Å; N44-S64 WeakPolarHBondContact CA-O 3.28Å; G62-S64 PolarHBondContact O-N 2.77Å; S64-R66 PolarHBondContact O-N 3.06Å; S64-R66 PolarHBondContact O-NH1 2.66Å
65L95.4Very high82.2Confident2 Ų250.1 Ų50.11%0.0124%0.243CC..  trans-62.6132.2177.3-171.264.8000110.2W43 L46 L61 G62 L68 C114 N116 L117W43-L65 WeakPolarHBondContact O-CA 3.17Å; W43-L65 WeakPolarHBondContact O-CD1 3.33Å; L46-L65 HydrophobicContact CB-CD1 3.97Å; L46-L65 HydrophobicContact CD1-CD1 3.71Å; L46-L65 HydrophobicContact CD1-CD2 4.09Å; L46-L65 HydrophobicContact CG-CD1 3.63Å; L61-L65 HydrophobicContact CD2-CD2 4.16Å; G62-L65 PolarHBondContact O-N 3.2Å; G62-L65 VanDerWaalsContact O-N 3.11Å; L65-L68 HydrophobicContact CD2-CB 4.44Å; L65-C114 HydrophobicContact CB-CB 4.17Å; L65-C114 HydrophobicContact CD2-CB 4.11Å; L65-N116 CarbonylContact O-C 3.54Å; L65-L117 HydrophobicContact CD2-CD1 4.07Å; L65-L117 HydrophobicContact CG-CD1 3.94Å
66R96.3Very high81.3Confident80 Ų8052.2 Ų52.230%0.30225%0.251SS..  trans-125.1-39.6179.6-62.8-65.1179.1-84.8-2.5111.4N44 P63 S64 N116 L118 T119N44-R66 PolarHBondContact O-N 3.25Å; P63-R66 PolarHBondContact O-NH1 3.23Å; S64-R66 PolarHBondContact O-N 3.06Å; S64-R66 PolarHBondContact O-NH1 2.66Å; R66-N116 WeakPolarHBondContact CD-O 3.38Å; R66-L118 HydrophobicContact CB-CD1 4.29Å; R66-L118 HydrophobicContact CB-CG 4.38Å; R66-L118 HydrophobicContact CG-CD1 4.45Å; R66-L118 WeakPolarHBondContact O-CA 3.47Å; R66-L118 PolarHBondContact O-N 3.24Å; R66-T119 PolarHBondContact O-N 3.27Å
67Y96.9Very high80.6Confident103 Ų10346.6 Ų46.640%0.40423%0.232SC..EExtended strand (participates in β ladder)trans-123.3119.7-175-52.6-82.9000109.7N44 L45 L46N44-Y67 PolarHBondContact O-N 3.4Å; L45-Y67 WeakPolarHBondContact CA-O 3.27Å; L46-Y67 PolarHBondContact N-O 2.78Å
68L96.1Very high79.5Confident0 Ų046.2 Ų46.20%023%0.228CC..EExtended strand (participates in β ladder)trans-122126.9175.6175.459.2000109.5L46 F48 L65 I70 F106 L107 V110 L117 T119 L120 T121L46-L68 HydrophobicContact CB-CD1 3.95Å; L46-L68 WeakPolarHBondContact O-CA 3.26Å; F48-L68 HydrophobicContact CD2-CD1 4.04Å; F48-L68 HydrophobicContact CE2-CD1 3.81Å; L65-L68 HydrophobicContact CD2-CB 4.44Å; L68-I70 HydrophobicContact CD1-CG1 4.2Å; L68-F106 HydrophobicContact CD1-CE1 3.83Å; L68-F106 HydrophobicContact CD1-CZ 4.11Å; L68-F106 HydrophobicContact CD2-CE1 3.75Å; L68-F106 HydrophobicContact CD2-CZ 4.47Å; L68-F106 HydrophobicContact CG-CE1 4.41Å; L68-L107 HydrophobicContact CD2-CD2 4.34Å; L68-V110 HydrophobicContact CD2-CG1 4.1Å; L68-V110 HydrophobicContact CD2-CG2 3.88Å; L68-L117 HydrophobicContact CB-CD1 3.81Å; L68-T119 PolarHBondContact N-O 3.08Å; L68-L120 HydrophobicContact CB-CD1 4.12Å; L68-L120 HydrophobicContact CD2-CD1 3.73Å; L68-L120 HydrophobicContact CG-CD1 3.84Å; L68-L120 CarbonylContact O-C 3.55Å; L68-L120 WeakPolarHBondContact O-CA 3.41Å; L68-T121 PolarHBondContact O-N 3.24Å
69T93.4Very high78.1Confident32 Ų3251.2 Ų51.220%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-132.8122.9176.7-60.10000109.7L46 H47 F48 C71 T121L46-T69 PolarHBondContact O-N 2.8Å; H47-T69 CarbonylContact C-O 3.22Å; H47-T69 WeakPolarHBondContact CA-O 3.3Å; H47-T69 VanDerWaalsContact CD2-CG2 3.46Å; H47-T69 WeakPolarHBondContact CD2-CG2 3.27Å; F48-T69 PolarHBondContact N-O 3.32Å; T69-C71 WeakPolarHBondContact CG2-SG 3.43Å; T69-T121 CarbonylContact C-O 3.29Å; T69-T121 WeakPolarHBondContact CA-O 3.5Å; T69-T121 HydrophobicContact CG2-CG2 4.05Å
70I90.2Very high76.4Confident0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-121.3112.6173.8-56.3176.9000106.9F48 L54 L68 W72 V103 F106 T121 L122 S123F48-I70 HydrophobicContact CB-CG1 4.43Å; F48-I70 HydrophobicContact CD2-CG1 3.99Å; L54-I70 HydrophobicContact CD2-CD1 4.36Å; L68-I70 HydrophobicContact CD1-CG1 4.2Å; I70-W72 HydrophobicContact CG2-CD2 4.22Å; I70-W72 HydrophobicContact CG2-CE3 4.41Å; I70-W72 HydrophobicContact CG2-CH2 3.47Å; I70-W72 VanDerWaalsContact CG2-CH2 3.47Å; I70-W72 HydrophobicContact CG2-CZ2 3.22Å; I70-W72 HydrophobicContact CG2-CZ3 4.02Å; I70-V103 HydrophobicContact CD1-CG1 4.08Å; I70-F106 HydrophobicContact CD1-CD1 3.72Å; I70-F106 HydrophobicContact CD1-CE1 3.82Å; I70-T121 PolarHBondContact N-O 3.1Å; I70-L122 HydrophobicContact CB-CD2 3.85Å; I70-L122 HydrophobicContact CD1-CD2 3.86Å; I70-L122 HydrophobicContact CG1-CD2 4.1Å; I70-L122 CarbonylContact O-C 3.59Å; I70-L122 WeakPolarHBondContact O-CA 3.45Å; I70-S123 PolarHBondContact O-N 3.44Å
71C85.4Confident74.7Confident6 Ų650.1 Ų50.14%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-131.8119.8-174.3-69.60000111F48 S49 T69 Y73F48-C71 PolarHBondContact O-N 3.06Å; S49-C71 CarbonylContact C-O 3.57Å; S49-C71 VanDerWaalsContact CA-O 3.23Å; S49-C71 WeakPolarHBondContact CA-O 3.33Å; T69-C71 WeakPolarHBondContact CG2-SG 3.43Å; C71-Y73 HydrophobicContact CB-CD2 3.59Å; C71-Y73 HydrophobicContact CB-CE2 3.51Å; C71-Y73 PolarHBondContact O-N 2.8Å
72W77.9Confident72.9Confident17 Ų1751 Ų516%0.06425%0.254CS..  trans-100.270176.9-50.6138.1000110.7F48 S50 P51 L54 I70 S74 V77 Q78 V103 S123 G124 C125F48-W72 HydrophobicContact CB-CH2 4.42Å; F48-W72 HydrophobicContact CB-CZ3 4.37Å; S50-W72 VanDerWaalsContact CA-CZ3 3.47Å; S50-W72 WeakPolarHBondContact O-CZ3 3.29Å; P51-W72 HydrophobicContact CB-CH2 4.44Å; P51-W72 HydrophobicContact CG-CD2 4.43Å; P51-W72 HydrophobicContact CG-CE3 4.27Å; P51-W72 HydrophobicContact CG-CH2 4.29Å; P51-W72 HydrophobicContact CG-CZ2 4.42Å; P51-W72 HydrophobicContact CG-CZ3 4.26Å; P51-W72 VanDerWaalsContact N-CZ3 3.28Å; L54-W72 HydrophobicContact CD1-CH2 3.46Å; L54-W72 VanDerWaalsContact CD1-CH2 3.46Å; L54-W72 HydrophobicContact CD1-CZ2 3.61Å; L54-W72 HydrophobicContact CG-CH2 4.08Å; I70-W72 HydrophobicContact CG2-CD2 4.22Å; I70-W72 HydrophobicContact CG2-CE3 4.41Å; I70-W72 HydrophobicContact CG2-CH2 3.47Å; I70-W72 VanDerWaalsContact CG2-CH2 3.47Å; I70-W72 HydrophobicContact CG2-CZ2 3.22Å; I70-W72 HydrophobicContact CG2-CZ3 4.02Å; W72-S74 VanDerWaalsContact C-N 3.3Å; W72-S74 PolarHBondContact O-N 2.86Å; W72-V77 HydrophobicContact CB-CG1 3.92Å; W72-V77 HydrophobicContact CG-CG1 4.4Å; W72-Q78 WeakPolarHBondContact O-CG 3.43Å; W72-V103 HydrophobicContact CZ2-CG2 3.75Å; W72-S123 PolarHBondContact N-O 3.49Å; W72-G124 VanDerWaalsContact CD1-O 3.32Å; W72-C125 PolarHBondContact NE1-SG 3.16Å
73Y58.1Low71.4Confident125 Ų12553.3 Ų53.349%0.4926%0.264SS..  trans-85.46.5177.6-70.4-71.3000114.3C71 S75 S123 E149C71-Y73 HydrophobicContact CB-CD2 3.59Å; C71-Y73 HydrophobicContact CB-CE2 3.51Å; C71-Y73 PolarHBondContact O-N 2.8Å; Y73-S75 PolarHBondContact O-N 3.06Å; Y73-S123 PolarHBondContact OH-OG 3.14Å; Y73-E149 PolarHBondContact OH-OE2 2.81Å
74S55.8Low69.9Low51 Ų5152.9 Ų52.936%0.35726%0.256SS..  trans-64.7128.4178.5174.40000109.8W72 R76 V77 Q78W72-S74 VanDerWaalsContact C-N 3.3Å; W72-S74 PolarHBondContact O-N 2.86Å; S74-R76 PolarHBondContact O-N 3.35Å; S74-R76 PolarHBondContact OG-N 3.11Å; S74-V77 CarbonylContact O-C 3.6Å; S74-V77 PolarHBondContact O-N 3.1Å; S74-Q78 WeakPolarHBondContact O-CB 3.32Å; S74-Q78 PolarHBondContact O-N 3.46Å
75S49.9Very low68.4Low86 Ų8655.4 Ų55.460%0.60127%0.267SS*.Hα-helixtrans-52.5-31.5174.255.80000112.2Y73 L79Y73-S75 PolarHBondContact O-N 3.06Å; S75-L79 WeakPolarHBondContact O-CB 3.39Å; S75-L79 VanDerWaalsContact O-CD1 3.24Å; S75-L79 WeakPolarHBondContact O-CD1 3.43Å; S75-L79 WeakPolarHBondContact O-CG 3.35Å; S75-L79 PolarHBondContact O-N 2.94Å
76R50.6Low66.8Low204 Ų20460.9 Ų60.977%0.7729%0.287SS*.Hα-helixtrans-74.9-32.5175.2-63.6-175.9-179.3177.50.3113.3S74 V80S74-R76 PolarHBondContact O-N 3.35Å; S74-R76 PolarHBondContact OG-N 3.11Å; R76-V80 WeakPolarHBondContact O-CB 3.45Å; R76-V80 WeakPolarHBondContact O-CG2 3.29Å
77V49.6Very low64.9Low24 Ų2461.3 Ų61.315%0.14530%0.295CS..Hα-helixtrans-90.8-37.7-177.7-176.90000111.3W72 S74 L79 V80 C81W72-V77 HydrophobicContact CB-CG1 3.92Å; W72-V77 HydrophobicContact CG-CG1 4.4Å; S74-V77 CarbonylContact O-C 3.6Å; S74-V77 PolarHBondContact O-N 3.1Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.93Å; V77-V80 PolarHBondContact O-N 2.85Å; V77-C81 WeakPolarHBondContact O-CB 3.14Å; V77-C81 PolarHBondContact O-N 2.95Å
78Q50.5Low63.4Low71 Ų7156.9 Ų56.933%0.33228%0.278SS..Hα-helixtrans-58.4-45.2171.8-74.8-176.6-3800111.2W72 S74 V80 N82W72-Q78 WeakPolarHBondContact O-CG 3.43Å; S74-Q78 WeakPolarHBondContact O-CB 3.32Å; S74-Q78 PolarHBondContact O-N 3.46Å; Q78-V80 PolarHBondContact O-N 2.99Å; Q78-N82 WeakPolarHBondContact O-CB 3.33Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.97Å; Q78-N82 VanDerWaalsContact O-N 3.09Å; Q78-N82 PolarHBondContact O-ND2 2.84Å
79L49.4Very low62.2Low112 Ų11259.6 Ų59.659%0.58630%0.297SS*.Hα-helixtrans-67.8-21.5175-70.9172000113S75 V77 I83 Q92S75-L79 WeakPolarHBondContact O-CB 3.39Å; S75-L79 VanDerWaalsContact O-CD1 3.24Å; S75-L79 WeakPolarHBondContact O-CD1 3.43Å; S75-L79 WeakPolarHBondContact O-CG 3.35Å; S75-L79 PolarHBondContact O-N 2.94Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.93Å; L79-I83 WeakPolarHBondContact O-CD1 3.45Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; L79-Q92 PolarHBondContact O-NE2 2.87Å
80V51.7Low61.3Low12 Ų1263.1 Ų63.17%0.07332%0.323CS..Hα-helixtrans-93.2-40.9-176.3168.50000111.4R76 V77 Q78 K88 Q92 I95 C96R76-V80 WeakPolarHBondContact O-CB 3.45Å; R76-V80 WeakPolarHBondContact O-CG2 3.29Å; V77-V80 PolarHBondContact O-N 2.85Å; Q78-V80 PolarHBondContact O-N 2.99Å; V80-K88 WeakPolarHBondContact O-CD 3.43Å; V80-K88 WeakPolarHBondContact O-CE 3.34Å; V80-Q92 HydrophobicContact CG1-CB 4.03Å; V80-Q92 HydrophobicContact CG1-CG 4.42Å; V80-Q92 HydrophobicContact CG2-CG 4.04Å; V80-I95 HydrophobicContact CG1-CB 4.13Å; V80-I95 HydrophobicContact CG1-CG2 3.99Å; V80-C96 WeakPolarHBondContact CG1-SG 3.11Å; V80-C96 PolarHBondContact O-SG 3.12Å
81C53.7Low60.1Low6 Ų669.9 Ų69.94%0.04135%0.353CS..Hα-helixtrans-94.4-25.3-173.8-61.90000113.5V77 K88 C96 A126V77-C81 WeakPolarHBondContact O-CB 3.14Å; V77-C81 PolarHBondContact O-N 2.95Å; C81-K88 PolarHBondContact O-NZ 3.02Å; C81-C96 VanDerWaalsContact SG-SG 3.62Å; C81-A126 HydrophobicContact CB-CB 3.94Å; C81-A126 WeakPolarHBondContact O-CB 3.49Å
82N53.4Low59.1Low32 Ų3271.2 Ų71.217%0.17136%0.358CS..SBendtrans-93.8-9.5-178.3-55.9-13.2000114.5Q78 N150Q78-N82 WeakPolarHBondContact O-CB 3.33Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.97Å; Q78-N82 VanDerWaalsContact O-N 3.09Å; Q78-N82 PolarHBondContact O-ND2 2.84Å; N82-N150 PolarHBondContact ND2-ND2 2.73Å; N82-N150 PolarHBondContact OD1-ND2 3.32Å
83I59.2Low58.5Low54 Ų5475.3 Ų75.328%0.27738%0.376SS..SBendtrans-68.6139.6167.7-70.5-179000107.5L79 D85 L87 K88L79-I83 WeakPolarHBondContact O-CD1 3.45Å; L79-I83 WeakPolarHBondContact O-CG1 3.41Å; I83-D85 PolarHBondContact O-N 2.85Å; I83-L87 HydrophobicContact CG2-CB 3.31Å; I83-L87 HydrophobicContact CG2-CD1 4.48Å; I83-K88 HydrophobicContact CB-CG 4.24Å; I83-K88 HydrophobicContact CG2-CG 4.09Å; I83-K88 WeakPolarHBondContact O-CE 3.46Å; I83-K88 PolarHBondContact O-NZ 3.34Å
84E61.5Low59Low60 Ų6072.8 Ų72.828%0.2837%0.371SS..  trans-52.9137.7178.7-56.1175.7-151.400110W86 L87 K88E84-W86 HydrophobicContact CB-CG 4.49Å; E84-W86 PolarHBondContact O-N 2.89Å; E84-W86 WeakPolarHBondContact OE2-CZ2 3.47Å; E84-W86 PolarHBondContact OE2-NE1 2.86Å; E84-L87 HydrophobicContact CB-CB 4.27Å; E84-L87 HydrophobicContact CB-CD1 3.93Å; E84-L87 HydrophobicContact CB-CG 4.2Å; E84-L87 HydrophobicContact CG-CD1 4.03Å; E84-L87 WeakPolarHBondContact O-CA 3.26Å; E84-L87 WeakPolarHBondContact O-CB 3.34Å; E84-L87 PolarHBondContact O-N 3.25Å; E84-K88 PolarHBondContact O-N 3.41Å
85D62.5Low59.4Low86 Ų8672.5 Ų72.546%0.4637%0.366SS..THydrogen-bonded Turntrans-52.5-31.8-172.9-85.7-21.4000113.5I83 K88 K93I83-D85 PolarHBondContact O-N 2.85Å; D85-K88 IonicContact OD1-NZ 3.12Å; D85-K88 PolarHBondContact OD1-NZ 3.45Å; D85-K93 WeakPolarHBondContact O-CE 3.36Å
86W60Low60.1Low117 Ų11768.7 Ų68.744%0.44334%0.339SS..THydrogen-bonded Turntrans-79.7-23.1177.665.3-90.6000113.9E84 P211E84-W86 HydrophobicContact CB-CG 4.49Å; E84-W86 PolarHBondContact O-N 2.89Å; E84-W86 WeakPolarHBondContact OE2-CZ2 3.47Å; E84-W86 PolarHBondContact OE2-NE1 2.86Å; W86-P211 HydrophobicContact CD2-CG 4.31Å; W86-P211 HydrophobicContact CE3-CG 4.33Å; W86-P211 HydrophobicContact CH2-CG 4.06Å; W86-P211 HydrophobicContact CZ2-CG 4.03Å; W86-P211 HydrophobicContact CZ3-CG 4.2Å
87L56.4Low60.8Low90 Ų9062.1 Ų62.147%0.47132%0.324SS..THydrogen-bonded Turntrans-83.8-13.2174.4-74.8173.3000113.1I83 E84I83-L87 HydrophobicContact CG2-CB 3.31Å; I83-L87 HydrophobicContact CG2-CD1 4.48Å; E84-L87 HydrophobicContact CB-CB 4.27Å; E84-L87 HydrophobicContact CB-CD1 3.93Å; E84-L87 HydrophobicContact CB-CG 4.2Å; E84-L87 HydrophobicContact CG-CD1 4.03Å; E84-L87 WeakPolarHBondContact O-CA 3.26Å; E84-L87 WeakPolarHBondContact O-CB 3.34Å; E84-L87 PolarHBondContact O-N 3.25Å
88K66.4Low61.5Low9 Ų967.3 Ų67.34%0.03935%0.345CS..  trans-67.6131.7-179.7-67.9-179.8172.995.80111.6V80 C81 I83 E84 D85 Q92 K93V80-K88 WeakPolarHBondContact O-CD 3.43Å; V80-K88 WeakPolarHBondContact O-CE 3.34Å; C81-K88 PolarHBondContact O-NZ 3.02Å; I83-K88 HydrophobicContact CB-CG 4.24Å; I83-K88 HydrophobicContact CG2-CG 4.09Å; I83-K88 WeakPolarHBondContact O-CE 3.46Å; I83-K88 PolarHBondContact O-NZ 3.34Å; E84-K88 PolarHBondContact O-N 3.41Å; D85-K88 IonicContact OD1-NZ 3.12Å; D85-K88 PolarHBondContact OD1-NZ 3.45Å; K88-Q92 HydrophobicContact CB-CB 4.08Å; K88-Q92 HydrophobicContact CG-CB 4.47Å; K88-K93 HydrophobicContact CB-CD 4.44Å; K88-K93 HydrophobicContact CB-CG 3.74Å; K88-K93 WeakPolarHBondContact O-CE 3.16Å
89S71.6Confident62.2Low57 Ų5766.5 Ų66.540%0.39934%0.341SS..  trans-66.3163.1170.683.70000111.6F91 Q92 K93S89-F91 PolarHBondContact O-N 2.78Å; S89-F91 PolarHBondContact OG-N 2.83Å; S89-Q92 PolarHBondContact O-N 2.84Å; S89-Q92 VanDerWaalsContact O-N 3.08Å; S89-Q92 WeakPolarHBondContact OG-CG 3.34Å; S89-Q92 PolarHBondContact OG-N 2.83Å; S89-K93 WeakPolarHBondContact O-CG 3.32Å; S89-K93 PolarHBondContact O-N 2.77Å
90S72.9Confident62.9Low106 Ų10664.6 Ų64.674%0.74133%0.331SS*.Hα-helixtrans-54.5-39.4176.5-174.20000112.6K93 D94S90-K93 PolarHBondContact O-N 3.12Å; S90-D94 PolarHBondContact O-N 2.85Å
91F65.3Low64Low142 Ų14267.3 Ų67.362%0.62335%0.351SS*.Hα-helixtrans-67.6-40.8176.2179.4-105.4000112.9S89 K93 D94 I95S89-F91 PolarHBondContact O-N 2.78Å; S89-F91 PolarHBondContact OG-N 2.83Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-D94 PolarHBondContact O-N 2.66Å; F91-I95 HydrophobicContact CD1-CD1 3.88Å; F91-I95 HydrophobicContact CE1-CD1 3.31Å; F91-I95 HydrophobicContact CE1-CG1 4.41Å; F91-I95 HydrophobicContact CE2-CD1 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.48Å; F91-I95 VanDerWaalsContact CZ-CD1 3.48Å; F91-I95 HydrophobicContact CZ-CG1 4.35Å; F91-I95 PolarHBondContact O-N 3.12Å
92Q64.9Low65.4Low34 Ų3470.3 Ų70.316%0.15937%0.366CS..Hα-helixtrans-65.9-38.5176-66-179.8-45.600111.1L79 V80 K88 S89 I95 C96L79-Q92 PolarHBondContact O-NE2 2.87Å; V80-Q92 HydrophobicContact CG1-CB 4.03Å; V80-Q92 HydrophobicContact CG1-CG 4.42Å; V80-Q92 HydrophobicContact CG2-CG 4.04Å; K88-Q92 HydrophobicContact CB-CB 4.08Å; K88-Q92 HydrophobicContact CG-CB 4.47Å; S89-Q92 PolarHBondContact O-N 2.84Å; S89-Q92 VanDerWaalsContact O-N 3.08Å; S89-Q92 WeakPolarHBondContact OG-CG 3.34Å; S89-Q92 PolarHBondContact OG-N 2.83Å; Q92-I95 PolarHBondContact O-N 2.86Å; Q92-C96 VanDerWaalsContact O-CB 3.32Å; Q92-C96 WeakPolarHBondContact O-CB 3.23Å; Q92-C96 PolarHBondContact O-N 3.34Å; Q92-C96 PolarHBondContact O-SG 3.04Å
93K65.9Low66.9Low103 Ų10369.2 Ų69.245%0.44836%0.361SS..Hα-helixtrans-63.9-39.6173.4-71.2176.2177.8169.50112.2D85 K88 S89 S90 F91 C96 S97D85-K93 WeakPolarHBondContact O-CE 3.36Å; K88-K93 HydrophobicContact CB-CD 4.44Å; K88-K93 HydrophobicContact CB-CG 3.74Å; K88-K93 WeakPolarHBondContact O-CE 3.16Å; S89-K93 WeakPolarHBondContact O-CG 3.32Å; S89-K93 PolarHBondContact O-N 2.77Å; S90-K93 PolarHBondContact O-N 3.12Å; F91-K93 VanDerWaalsContact C-N 3.32Å; K93-C96 PolarHBondContact O-N 3.12Å; K93-S97 VanDerWaalsContact O-CB 3.26Å; K93-S97 WeakPolarHBondContact O-CB 3.43Å; K93-S97 PolarHBondContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 3.23Å
94D67.8Low68.3Low72 Ų7267.7 Ų67.739%0.38536%0.355SS..Hα-helixtrans-66.9-37.5175.9-175.669.8000113.2S90 F91 S97 K98S90-D94 PolarHBondContact O-N 2.85Å; F91-D94 PolarHBondContact O-N 2.66Å; D94-S97 WeakPolarHBondContact CA-OG 3.4Å; D94-S97 PolarHBondContact O-OG 2.87Å; D94-K98 WeakPolarHBondContact O-CG 3.34Å; D94-K98 PolarHBondContact O-N 3.45Å; D94-K98 IonicContact OD1-NZ 2.63Å; D94-K98 IonicContact OD2-NZ 2.86Å; D94-K98 PolarHBondContact OD2-NZ 3.44Å
95I65Low69.7Low46 Ų4668 Ų6824%0.23636%0.361CS..Hα-helixtrans-68.4-46.6173.3-68.7172.3000110.4V80 F91 Q92 S97 K98 H99V80-I95 HydrophobicContact CG1-CB 4.13Å; V80-I95 HydrophobicContact CG1-CG2 3.99Å; F91-I95 HydrophobicContact CD1-CD1 3.88Å; F91-I95 HydrophobicContact CE1-CD1 3.31Å; F91-I95 HydrophobicContact CE1-CG1 4.41Å; F91-I95 HydrophobicContact CE2-CD1 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.48Å; F91-I95 VanDerWaalsContact CZ-CD1 3.48Å; F91-I95 HydrophobicContact CZ-CG1 4.35Å; F91-I95 PolarHBondContact O-N 3.12Å; Q92-I95 PolarHBondContact O-N 2.86Å; I95-S97 PolarHBondContact O-N 2.76Å; I95-K98 PolarHBondContact O-N 2.72Å; I95-H99 PolarHBondContact O-CD2 3.07Å; I95-H99 PolarHBondContact O-N 2.9Å
96C64Low71Confident5 Ų564.2 Ų64.23%0.03434%0.34CS..Hα-helixtrans-59.7-43.7176.4-76.10000111.8V80 C81 Q92 K93 K98 H99 D100V80-C96 WeakPolarHBondContact CG1-SG 3.11Å; V80-C96 PolarHBondContact O-SG 3.12Å; C81-C96 VanDerWaalsContact SG-SG 3.62Å; Q92-C96 VanDerWaalsContact O-CB 3.32Å; Q92-C96 WeakPolarHBondContact O-CB 3.23Å; Q92-C96 PolarHBondContact O-N 3.34Å; Q92-C96 PolarHBondContact O-SG 3.04Å; K93-C96 PolarHBondContact O-N 3.12Å; C96-K98 VanDerWaalsContact C-N 3.33Å; C96-K98 PolarHBondContact O-N 3.33Å; C96-H99 CarbonylContact O-C 3.4Å; C96-H99 WeakPolarHBondContact O-CA 3.37Å; C96-H99 PolarHBondContact O-N 3.44Å; C96-D100 PolarHBondContact O-N 3.06Å
97S65.1Low72.5Confident67 Ų6758.8 Ų58.847%0.46932%0.32SS..Hα-helixtrans-63.9-36.5-178.368.60000112.5K93 D94 I95 H99 D100K93-S97 VanDerWaalsContact O-CB 3.26Å; K93-S97 WeakPolarHBondContact O-CB 3.43Å; K93-S97 PolarHBondContact O-N 3.11Å; K93-S97 PolarHBondContact O-OG 3.23Å; D94-S97 WeakPolarHBondContact CA-OG 3.4Å; D94-S97 PolarHBondContact O-OG 2.87Å; I95-S97 PolarHBondContact O-N 2.76Å; S97-H99 PolarHBondContact O-N 3.09Å; S97-D100 WeakPolarHBondContact O-CB 3.3Å; S97-D100 PolarHBondContact O-N 3.06Å
98K64.9Low74.2Confident133 Ų13356.7 Ų56.758%0.57832%0.316SS*.Hα-helixtrans-65.4-19.6172.9-74.8169.1179.3155.30113.4D94 I95 C96D94-K98 WeakPolarHBondContact O-CG 3.34Å; D94-K98 PolarHBondContact O-N 3.45Å; D94-K98 IonicContact OD1-NZ 2.63Å; D94-K98 IonicContact OD2-NZ 2.86Å; D94-K98 PolarHBondContact OD2-NZ 3.44Å; I95-K98 PolarHBondContact O-N 2.72Å; C96-K98 VanDerWaalsContact C-N 3.33Å; C96-K98 PolarHBondContact O-N 3.33Å
99H64.4Low75.5Confident54 Ų5459.2 Ų59.225%0.2533%0.328CS..Hα-helixtrans-108.7-7.2179.9-62.5-50.1000113.6P51 I95 C96 S97 S101 L102P51-H99 WeakPolarHBondContact CB-CE1 3.48Å; P51-H99 WeakPolarHBondContact CB-ND1 3.32Å; I95-H99 PolarHBondContact O-CD2 3.07Å; I95-H99 PolarHBondContact O-N 2.9Å; C96-H99 CarbonylContact O-C 3.4Å; C96-H99 WeakPolarHBondContact O-CA 3.37Å; C96-H99 PolarHBondContact O-N 3.44Å; S97-H99 PolarHBondContact O-N 3.09Å; H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 2.71Å; H99-L102 HydrophobicContact CB-CD1 4.32Å; H99-L102 WeakPolarHBondContact ND1-CD1 3.48Å; H99-L102 PolarHBondContact O-N 2.98Å; H99-L102 VanDerWaalsContact O-N 3.14Å
100D64.8Low76.5Confident71 Ų7156.5 Ų56.538%0.3831%0.309SS..THydrogen-bonded Turntrans-56.5-40.5-169.1-168.439.8000112.1C96 S97 H127 R153C96-D100 PolarHBondContact O-N 3.06Å; S97-D100 WeakPolarHBondContact O-CB 3.3Å; S97-D100 PolarHBondContact O-N 3.06Å; D100-H127 VanDerWaalsContact O-CB 3.29Å; D100-H127 WeakPolarHBondContact O-CB 3.38Å; D100-H127 IonicContact OD1-CE1 2.88Å; D100-H127 PolarHBondContact OD1-CE1 3.15Å; D100-H127 IonicContact OD1-CG 2.66Å; D100-H127 VanDerWaalsContact OD1-CG 3.23Å; D100-H127 IonicContact OD1-ND1 3.67Å; D100-H127 PolarHBondContact OD1-ND1 2.85Å; D100-R153 IonicContact OD1-NH1 3.84Å
101S75.5Confident77.5Confident70 Ų7052.1 Ų52.149%0.4928%0.277SS..THydrogen-bonded Turntrans-103.1-4.8-179.665.60000114.8H99 V103 T105H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 2.71Å; S101-V103 PolarHBondContact O-N 2.78Å; S101-T105 WeakPolarHBondContact O-CB 3.28Å; S101-T105 PolarHBondContact O-N 3.27Å; S101-T105 PolarHBondContact O-OG1 3.16Å
102L82.1Confident78.8Confident69 Ų6952.3 Ų52.336%0.36128%0.28SS..Hα-helixtrans-63.6-48.4-172.5-78.9176000112H99 F106H99-L102 HydrophobicContact CB-CD1 4.32Å; H99-L102 WeakPolarHBondContact ND1-CD1 3.48Å; H99-L102 PolarHBondContact O-N 2.98Å; H99-L102 VanDerWaalsContact O-N 3.14Å; L102-F106 VanDerWaalsContact O-CB 3.25Å; L102-F106 WeakPolarHBondContact O-CB 3.46Å; L102-F106 PolarHBondContact O-N 3.35Å
103V85.8Confident80.2Confident9 Ų954.3 Ų54.36%0.05529%0.29CS..Hα-helixtrans-70-45-178-178.10000110.4L54 I70 W72 S101 T105 F106 L107 L122 I128L54-V103 HydrophobicContact CD1-CG2 4.21Å; I70-V103 HydrophobicContact CD1-CG1 4.08Å; W72-V103 HydrophobicContact CZ2-CG2 3.75Å; S101-V103 PolarHBondContact O-N 2.78Å; V103-T105 PolarHBondContact O-N 3.34Å; V103-F106 WeakPolarHBondContact O-CB 3.41Å; V103-F106 PolarHBondContact O-N 3.1Å; V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.46Å; V103-L122 HydrophobicContact CG1-CD2 4.5Å; V103-I128 HydrophobicContact CB-CG2 4.37Å; V103-I128 HydrophobicContact CG1-CG2 3.84Å
104S88.4Confident81.5Confident21 Ų2149.4 Ų49.415%0.14727%0.269CS..Hα-helixtrans-61.5-44.7177.9-580000111.9F106 L107 A108 D132S104-F106 VanDerWaalsContact C-N 3.34Å; S104-F106 PolarHBondContact O-N 2.84Å; S104-L107 PolarHBondContact O-N 2.85Å; S104-A108 PolarHBondContact O-N 3.39Å; S104-D132 WeakPolarHBondContact CB-OD1 3.42Å; S104-D132 PolarHBondContact OG-OD1 3Å; S104-D132 PolarHBondContact OG-OD2 3Å
105T89.3Confident82.8Confident68 Ų6849 Ų4942%0.41727%0.27SS..Hα-helixtrans-61.8-43.4174.8-55.90000110.8S101 V103 A108 H109S101-T105 WeakPolarHBondContact O-CB 3.28Å; S101-T105 PolarHBondContact O-N 3.27Å; S101-T105 PolarHBondContact O-OG1 3.16Å; V103-T105 PolarHBondContact O-N 3.34Å; T105-A108 WeakPolarHBondContact O-CB 3.47Å; T105-A108 PolarHBondContact O-N 3.3Å; T105-H109 PolarHBondContact O-N 3.18Å; T105-H109 PolarHBondContact O-ND1 2.78Å
106F90.4Very high84.2Confident6 Ų648.3 Ų48.33%0.02627%0.267CS..Hα-helixtrans-62.2-45.8176.7175.9-100.9000112.1F48 L54 Y59 L61 L68 I70 L102 V103 S104 A108 H109 V110F48-F106 HydrophobicContact CE2-CE1 4.26Å; F48-F106 HydrophobicContact CE2-CE2 4.46Å; F48-F106 AromaticContact CE2-CZ 3.76Å; F48-F106 HydrophobicContact CE2-CZ 3.76Å; F48-F106 HydrophobicContact CZ-CE2 4.48Å; F48-F106 HydrophobicContact CZ-CZ 4.19Å; L54-F106 HydrophobicContact CD2-CB 4.23Å; L54-F106 HydrophobicContact CD2-CD1 3.82Å; L54-F106 HydrophobicContact CD2-CD2 3.8Å; L54-F106 HydrophobicContact CD2-CE1 4.08Å; L54-F106 HydrophobicContact CD2-CE2 4.07Å; L54-F106 HydrophobicContact CD2-CG 3.66Å; L54-F106 HydrophobicContact CD2-CZ 4.2Å; Y59-F106 HydrophobicContact CE1-CE2 4.27Å; Y59-F106 HydrophobicContact CE2-CD2 4.46Å; Y59-F106 AromaticContact CE2-CE2 3.7Å; Y59-F106 HydrophobicContact CE2-CE2 3.7Å; Y59-F106 AromaticContact CZ-CE2 3.54Å; Y59-F106 WeakPolarHBondContact OH-CD2 3.38Å; Y59-F106 WeakPolarHBondContact OH-CE2 3.44Å; L61-F106 HydrophobicContact CD1-CE2 4.05Å; L61-F106 HydrophobicContact CD2-CE2 4.04Å; L61-F106 HydrophobicContact CD2-CZ 4.04Å; L61-F106 HydrophobicContact CG-CE2 4.46Å; L68-F106 HydrophobicContact CD1-CE1 3.83Å; L68-F106 HydrophobicContact CD1-CZ 4.11Å; L68-F106 HydrophobicContact CD2-CE1 3.75Å; L68-F106 HydrophobicContact CD2-CZ 4.47Å; L68-F106 HydrophobicContact CG-CE1 4.41Å; I70-F106 HydrophobicContact CD1-CD1 3.72Å; I70-F106 HydrophobicContact CD1-CE1 3.82Å; L102-F106 VanDerWaalsContact O-CB 3.25Å; L102-F106 WeakPolarHBondContact O-CB 3.46Å; L102-F106 PolarHBondContact O-N 3.35Å; V103-F106 WeakPolarHBondContact O-CB 3.41Å; V103-F106 PolarHBondContact O-N 3.1Å; S104-F106 VanDerWaalsContact C-N 3.34Å; S104-F106 PolarHBondContact O-N 2.84Å; F106-A108 VanDerWaalsContact C-N 3.28Å; F106-A108 PolarHBondContact O-N 2.91Å; F106-H109 WeakPolarHBondContact O-CB 3.45Å; F106-H109 PolarHBondContact O-N 2.96Å; F106-V110 HydrophobicContact CD1-CG2 4.02Å; F106-V110 HydrophobicContact CE1-CG2 3.57Å; F106-V110 HydrophobicContact CE2-CG2 4.31Å; F106-V110 HydrophobicContact CZ-CG2 3.74Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 2.83Å
107L92.1Very high85.8Confident2 Ų248 Ų481%0.0127%0.265CS..Hα-helixtrans-60.9-37.7176-71.7177.5000111.7L68 V103 S104 H109 V110 C111 L120 L122 D132 V136L68-L107 HydrophobicContact CD2-CD2 4.34Å; V103-L107 HydrophobicContact CG1-CD1 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.3Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.48Å; V103-L107 PolarHBondContact O-N 3.46Å; S104-L107 PolarHBondContact O-N 2.85Å; L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 2.9Å; L107-V110 WeakPolarHBondContact O-CB 3.37Å; L107-V110 PolarHBondContact O-N 2.97Å; L107-C111 WeakPolarHBondContact O-CB 3.33Å; L107-C111 PolarHBondContact O-N 2.93Å; L107-C111 PolarHBondContact O-SG 3.03Å; L107-L120 HydrophobicContact CD2-CD1 4.33Å; L107-L120 HydrophobicContact CD2-CD2 4.36Å; L107-L122 HydrophobicContact CD1-CD1 3.96Å; L107-D132 HydrophobicContact CD1-CB 4.2Å; L107-V136 HydrophobicContact CB-CG2 4.44Å; L107-V136 HydrophobicContact CD2-CG2 4.24Å
108A92.7Very high87.3Confident46 Ų4646.7 Ų46.738%0.3825%0.252SS..Hα-helixtrans-58-40.2173.100000111.8S104 T105 F106 C111 H112S104-A108 PolarHBondContact O-N 3.39Å; T105-A108 WeakPolarHBondContact O-CB 3.47Å; T105-A108 PolarHBondContact O-N 3.3Å; F106-A108 VanDerWaalsContact C-N 3.28Å; F106-A108 PolarHBondContact O-N 2.91Å; A108-C111 WeakPolarHBondContact O-CB 3.29Å; A108-C111 PolarHBondContact O-N 3.2Å; A108-H112 PolarHBondContact O-N 3.47Å; A108-H112 PolarHBondContact O-ND1 3.02Å
109H92.7Very high88.9Confident63 Ų6341.3 Ų41.329%0.29223%0.231SC..Hα-helixtrans-70.5-39.9175.1-65.993.5000112.7W56 L61 T105 F106 L107 C111 H112 M113W56-H109 HydrophobicContact CH2-CB 4.16Å; W56-H109 AromaticContact CH2-CD2 3.24Å; W56-H109 WeakPolarHBondContact CH2-CD2 3.25Å; W56-H109 AromaticContact CH2-CG 3.68Å; W56-H109 AromaticContact CH2-NE2 3.67Å; W56-H109 HydrophobicContact CZ2-CB 3.97Å; W56-H109 AromaticContact CZ2-CD2 3.27Å; W56-H109 WeakPolarHBondContact CZ2-CD2 3.45Å; W56-H109 AromaticContact CZ2-CE1 3.59Å; W56-H109 AromaticContact CZ2-CG 3.34Å; W56-H109 AromaticContact CZ2-ND1 3.56Å; W56-H109 AromaticContact CZ2-NE2 3.42Å; W56-H109 WeakPolarHBondContact CZ2-NE2 3.37Å; L61-H109 HydrophobicContact CD1-CB 3.94Å; T105-H109 PolarHBondContact O-N 3.18Å; T105-H109 PolarHBondContact O-ND1 2.78Å; F106-H109 WeakPolarHBondContact O-CB 3.45Å; F106-H109 PolarHBondContact O-N 2.96Å; L107-H109 VanDerWaalsContact C-N 3.27Å; L107-H109 PolarHBondContact O-N 2.9Å; H109-C111 VanDerWaalsContact C-N 3.28Å; H109-C111 PolarHBondContact O-N 3.31Å; H109-H112 PolarHBondContact O-N 3Å; H109-H112 VanDerWaalsContact O-N 3.1Å; H109-M113 WeakPolarHBondContact O-CB 3.31Å; H109-M113 WeakPolarHBondContact O-CG 3.38Å; H109-M113 PolarHBondContact O-N 2.5Å
110V92.9Very high90.5Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-57-44.3173.4173.50000110.5L61 L68 F106 L107 H112 M113 C114 L117L61-V110 HydrophobicContact CD1-CG2 4.3Å; L61-V110 HydrophobicContact CD2-CG2 4.23Å; L68-V110 HydrophobicContact CD2-CG1 4.1Å; L68-V110 HydrophobicContact CD2-CG2 3.88Å; F106-V110 HydrophobicContact CD1-CG2 4.02Å; F106-V110 HydrophobicContact CE1-CG2 3.57Å; F106-V110 HydrophobicContact CE2-CG2 4.31Å; F106-V110 HydrophobicContact CZ-CG2 3.74Å; F106-V110 WeakPolarHBondContact O-CG2 3.31Å; F106-V110 PolarHBondContact O-N 2.83Å; L107-V110 WeakPolarHBondContact O-CB 3.37Å; L107-V110 PolarHBondContact O-N 2.97Å; V110-H112 VanDerWaalsContact C-N 3.26Å; V110-H112 PolarHBondContact O-N 2.97Å; V110-M113 PolarHBondContact O-N 3.46Å; V110-C114 HydrophobicContact CG1-CB 3.92Å; V110-C114 WeakPolarHBondContact O-CA 3.31Å; V110-C114 VanDerWaalsContact O-CB 3.27Å; V110-C114 WeakPolarHBondContact O-CB 3.41Å; V110-C114 PolarHBondContact O-N 2.87Å; V110-L117 HydrophobicContact CG1-CD2 4.13Å
111C93.9Very high91.9Very high13 Ų1335.9 Ų35.99%0.08820%0.204CC..Hα-helixtrans-57.4-34.6176.1-74.90000113.6L107 A108 H109 V136 R139L107-C111 WeakPolarHBondContact O-CB 3.33Å; L107-C111 PolarHBondContact O-N 2.93Å; L107-C111 PolarHBondContact O-SG 3.03Å; A108-C111 WeakPolarHBondContact O-CB 3.29Å; A108-C111 PolarHBondContact O-N 3.2Å; H109-C111 VanDerWaalsContact C-N 3.28Å; H109-C111 PolarHBondContact O-N 3.31Å; C111-V136 VanDerWaalsContact SG-CA 3.57Å; C111-R139 HydrophobicContact CB-CB 4.01Å; C111-R139 HydrophobicContact CB-CG 3.98Å; C111-R139 WeakPolarHBondContact O-CB 3.38Å
112H92.9Very high92.7Very high146 Ų14632.6 Ų32.668%0.67618%0.181SC*.Hα-helixtrans-86.3-32.7179.5-69.893.3000113.1A108 H109 V110A108-H112 PolarHBondContact O-N 3.47Å; A108-H112 PolarHBondContact O-ND1 3.02Å; H109-H112 PolarHBondContact O-N 3Å; H109-H112 VanDerWaalsContact O-N 3.1Å; V110-H112 VanDerWaalsContact C-N 3.26Å; V110-H112 PolarHBondContact O-N 2.97Å
113M93.2Very high93Very high77 Ų7729.5 Ų29.538%0.37917%0.165SC..Hα-helixtrans-105-19.2-168.9-63.4-168.668.700114.6L61 G62 H109 V110 P115L61-M113 HydrophobicContact CB-CB 4.11Å; L61-M113 HydrophobicContact CB-CE 4.1Å; L61-M113 HydrophobicContact CB-SD 3.91Å; L61-M113 HydrophobicContact CD1-SD 4.46Å; L61-M113 VanDerWaalsContact O-CE 3.29Å; L61-M113 WeakPolarHBondContact O-CE 3.45Å; G62-M113 CarbonylContact C-O 3.26Å; G62-M113 WeakPolarHBondContact CA-O 3.48Å; H109-M113 WeakPolarHBondContact O-CB 3.31Å; H109-M113 WeakPolarHBondContact O-CG 3.38Å; H109-M113 PolarHBondContact O-N 2.5Å; V110-M113 PolarHBondContact O-N 3.46Å; M113-P115 VanDerWaalsContact C-CD 3.43Å; M113-P115 WeakPolarHBondContact O-CD 3.32Å
114C94.7Very high92.7Very high0 Ų029.2 Ų29.20%016%0.164CC..  trans-124.561.6-167.3-54.10000112.8G62 L65 V110 N116 L117G62-C114 PolarHBondContact O-SG 3.37Å; L65-C114 HydrophobicContact CB-CB 4.17Å; L65-C114 HydrophobicContact CD2-CB 4.11Å; V110-C114 HydrophobicContact CG1-CB 3.92Å; V110-C114 WeakPolarHBondContact O-CA 3.31Å; V110-C114 VanDerWaalsContact O-CB 3.27Å; V110-C114 WeakPolarHBondContact O-CB 3.41Å; V110-C114 PolarHBondContact O-N 2.87Å; C114-N116 PolarHBondContact O-N 2.99Å; C114-N116 VanDerWaalsContact O-N 3.1Å; C114-L117 PolarHBondContact O-N 2.88Å
115P93.6Very high92.5Very high62 Ų6228.3 Ų28.340%0.40316%0.158SC..THydrogen-bonded Turntrans-66-16.5-175.928.1-37000114.3M113M113-P115 VanDerWaalsContact C-CD 3.43Å; M113-P115 WeakPolarHBondContact O-CD 3.32Å
116N95Very high91.9Very high32 Ų3225.2 Ų25.217%0.17114%0.139CC..THydrogen-bonded Turntrans-98.616.3-175.9-63.8-51.3000113.8P63 L65 R66 C114 L118 K142P63-N116 WeakPolarHBondContact O-CB 3.18Å; P63-N116 PolarHBondContact O-ND2 2.85Å; L65-N116 CarbonylContact O-C 3.54Å; R66-N116 WeakPolarHBondContact CD-O 3.38Å; C114-N116 PolarHBondContact O-N 2.99Å; C114-N116 VanDerWaalsContact O-N 3.1Å; N116-L118 PolarHBondContact O-N 2.84Å; N116-K142 HydrophobicContact CB-CD 4.46Å; N116-K142 WeakPolarHBondContact OD1-CD 3.5Å; N116-K142 WeakPolarHBondContact OD1-CE 3.47Å; N116-K142 PolarHBondContact OD1-NZ 3.38Å
117L96.9Very high91.4Very high0 Ų026.1 Ų26.10%014%0.143CC..  trans-60.3131.6178.2-167.270.5000110.5L65 L68 V110 C114 L120 C140 K142 L143L65-L117 HydrophobicContact CD2-CD1 4.07Å; L65-L117 HydrophobicContact CG-CD1 3.94Å; L68-L117 HydrophobicContact CB-CD1 3.81Å; V110-L117 HydrophobicContact CG1-CD2 4.13Å; C114-L117 PolarHBondContact O-N 2.88Å; L117-L120 HydrophobicContact CD2-CB 4.22Å; L117-C140 HydrophobicContact CB-CB 4.15Å; L117-K142 CarbonylContact O-C 3.42Å; L117-L143 HydrophobicContact CB-CD1 4.48Å; L117-L143 HydrophobicContact CD2-CD1 4.04Å; L117-L143 HydrophobicContact CG-CD1 4.01Å; L117-L143 VanDerWaalsContact O-CA 3.3Å; L117-L143 WeakPolarHBondContact O-CA 3.42Å; L117-L143 PolarHBondContact O-N 3.18Å; L117-L143 VanDerWaalsContact O-N 3.14Å
118L97.4Very high91.2Very high38 Ų3826 Ų2620%0.19914%0.143CC..  trans-107.1-36.5-179.1-61.5-178000112R66 N116 K142 R144 S145R66-L118 HydrophobicContact CB-CD1 4.29Å; R66-L118 HydrophobicContact CB-CG 4.38Å; R66-L118 HydrophobicContact CG-CD1 4.45Å; R66-L118 WeakPolarHBondContact O-CA 3.47Å; R66-L118 PolarHBondContact O-N 3.24Å; N116-L118 PolarHBondContact O-N 2.84Å; L118-K142 HydrophobicContact CD2-CB 4.06Å; L118-K142 VanDerWaalsContact CD2-O 3.27Å; L118-K142 WeakPolarHBondContact CD2-O 3.42Å; L118-R144 PolarHBondContact O-N 2.55Å; L118-S145 PolarHBondContact O-N 2.94Å; L118-S145 VanDerWaalsContact O-N 3.08Å
119T97.8Very high91.2Very high20 Ų2025.8 Ų25.812%0.12314%0.137CC..EExtended strand (participates in β ladder)trans-133.9131.2-178.5-52.80000110.8R66 L68 S145R66-T119 PolarHBondContact O-N 3.27Å; L68-T119 PolarHBondContact N-O 3.08Å; T119-S145 WeakPolarHBondContact CA-O 3.24Å
120L97.4Very high91.3Very high1 Ų123.8 Ų23.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-123124.8171.2177.658.5000109.1L68 L107 L117 L122 V136 L143 S145 L146 R147L68-L120 HydrophobicContact CB-CD1 4.12Å; L68-L120 HydrophobicContact CD2-CD1 3.73Å; L68-L120 HydrophobicContact CG-CD1 3.84Å; L68-L120 CarbonylContact O-C 3.55Å; L68-L120 WeakPolarHBondContact O-CA 3.41Å; L107-L120 HydrophobicContact CD2-CD1 4.33Å; L107-L120 HydrophobicContact CD2-CD2 4.36Å; L117-L120 HydrophobicContact CD2-CB 4.22Å; L120-L122 HydrophobicContact CD1-CD2 3.87Å; L120-L122 HydrophobicContact CD1-CG 4.04Å; L120-L122 HydrophobicContact CD2-CD1 4.22Å; L120-L122 HydrophobicContact CD2-CG 4.42Å; L120-L122 HydrophobicContact CG-CD1 4.45Å; L120-L122 HydrophobicContact CG-CD2 4.49Å; L120-L122 HydrophobicContact CG-CG 4.11Å; L120-V136 HydrophobicContact CD2-CB 4.44Å; L120-V136 HydrophobicContact CD2-CG1 3.84Å; L120-V136 HydrophobicContact CD2-CG2 4.23Å; L120-L143 HydrophobicContact CB-CD1 4.04Å; L120-S145 PolarHBondContact N-O 3.33Å; L120-L146 HydrophobicContact CB-CD1 4.11Å; L120-L146 HydrophobicContact CD2-CD1 3.96Å; L120-L146 HydrophobicContact CG-CD1 4.11Å; L120-R147 PolarHBondContact O-N 3.34Å
121T95.4Very high91.3Very high11 Ų1129.5 Ų29.57%0.06716%0.155CC..EExtended strand (participates in β ladder)trans-122.8123171.5-61.30000109.4L68 T69 I70 R147L68-T121 PolarHBondContact O-N 3.24Å; T69-T121 CarbonylContact C-O 3.29Å; T69-T121 WeakPolarHBondContact CA-O 3.5Å; T69-T121 HydrophobicContact CG2-CG2 4.05Å; I70-T121 PolarHBondContact N-O 3.1Å; T121-R147 CarbonylContact C-O 3.38Å; T121-R147 WeakPolarHBondContact CA-O 3.44Å; T121-R147 HydrophobicContact CG2-CB 4.05Å; T121-R147 PolarHBondContact OG1-NE 3.23Å; T121-R147 PolarHBondContact OG1-NH2 3.37Å; T121-R147 VanDerWaalsContact OG1-NH2 3.13Å
122L91.9Very high91.4Very high1 Ų130 Ų301%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-122.7112175.7-59177.7000107.9I70 V103 L107 L120 C125 I128 R147 L148 E149I70-L122 HydrophobicContact CB-CD2 3.85Å; I70-L122 HydrophobicContact CD1-CD2 3.86Å; I70-L122 HydrophobicContact CG1-CD2 4.1Å; I70-L122 CarbonylContact O-C 3.59Å; I70-L122 WeakPolarHBondContact O-CA 3.45Å; V103-L122 HydrophobicContact CG1-CD2 4.5Å; L107-L122 HydrophobicContact CD1-CD1 3.96Å; L120-L122 HydrophobicContact CD1-CD2 3.87Å; L120-L122 HydrophobicContact CD1-CG 4.04Å; L120-L122 HydrophobicContact CD2-CD1 4.22Å; L120-L122 HydrophobicContact CD2-CG 4.42Å; L120-L122 HydrophobicContact CG-CD1 4.45Å; L120-L122 HydrophobicContact CG-CD2 4.49Å; L120-L122 HydrophobicContact CG-CG 4.11Å; L122-C125 HydrophobicContact CB-CB 4.46Å; L122-I128 HydrophobicContact CB-CD1 4.34Å; L122-I128 HydrophobicContact CD1-CD1 3.56Å; L122-I128 HydrophobicContact CD1-CG2 4.47Å; L122-R147 PolarHBondContact N-O 3.04Å; L122-L148 HydrophobicContact CB-CD2 3.99Å; L122-L148 HydrophobicContact CD1-CD2 3.88Å; L122-L148 HydrophobicContact CG-CD2 4.24Å; L122-L148 WeakPolarHBondContact O-CA 3.23Å; L122-E149 PolarHBondContact O-N 2.91Å
123S88.2Confident91.5Very high3 Ų323.2 Ų23.22%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-122129.3179.7-175.50000111I70 W72 Y73 C125 E149I70-S123 PolarHBondContact O-N 3.44Å; W72-S123 PolarHBondContact N-O 3.49Å; Y73-S123 PolarHBondContact OH-OG 3.14Å; S123-C125 PolarHBondContact O-N 2.93Å; S123-E149 CarbonylContact C-O 3.55Å; S123-E149 VanDerWaalsContact CA-O 3.31Å; S123-E149 WeakPolarHBondContact CA-O 3.42Å; S123-E149 WeakPolarHBondContact CB-OE2 3.33Å; S123-E149 PolarHBondContact OG-OE2 3.44Å
124G80.1Confident91.6Very high3 Ų320.5 Ų20.53%0.03111%0.113CC..SBendtrans69.412.8-178.400000114.6W72 A126 E149W72-G124 VanDerWaalsContact CD1-O 3.32Å; G124-A126 PolarHBondContact O-N 2.77Å; G124-E149 PolarHBondContact N-O 3.3Å
125C83.1Confident91.7Very high3 Ų322.1 Ų22.12%0.0213%0.125CC..  trans-82.782.1-179.6-58.10000109.5W72 L122 S123 H127 I128 C151W72-C125 PolarHBondContact NE1-SG 3.16Å; L122-C125 HydrophobicContact CB-CB 4.46Å; S123-C125 PolarHBondContact O-N 2.93Å; C125-H127 VanDerWaalsContact C-N 3.26Å; C125-H127 PolarHBondContact O-N 3.48Å; C125-I128 HydrophobicContact CB-CG2 3.41Å; C125-I128 VanDerWaalsContact CB-CG2 3.41Å; C125-C151 PolarHBondContact O-SG 2.95Å
126A76.8Confident91.8Very high3 Ų319.2 Ų19.23%0.02511%0.106CC..THydrogen-bonded Turntrans-64.7-26.6-173.800000114.5C81 G124 V152 R153C81-A126 HydrophobicContact CB-CB 3.94Å; C81-A126 WeakPolarHBondContact O-CB 3.49Å; G124-A126 PolarHBondContact O-N 2.77Å; A126-V152 HydrophobicContact CB-CG2 3.85Å; A126-R153 WeakPolarHBondContact O-CD 3.35Å; A126-R153 VanDerWaalsContact O-CG 3.23Å; A126-R153 WeakPolarHBondContact O-CG 3.47Å
127H79.9Confident91.8Very high24 Ų2417.9 Ų17.911%0.11110%0.098CC..THydrogen-bonded Turntrans-91.3-9.1-172.1-59.5-73.8000114.4D100 C125D100-H127 VanDerWaalsContact O-CB 3.29Å; D100-H127 WeakPolarHBondContact O-CB 3.38Å; D100-H127 IonicContact OD1-CE1 2.88Å; D100-H127 PolarHBondContact OD1-CE1 3.15Å; D100-H127 IonicContact OD1-CG 2.66Å; D100-H127 VanDerWaalsContact OD1-CG 3.23Å; D100-H127 IonicContact OD1-ND1 3.67Å; D100-H127 PolarHBondContact OD1-ND1 2.85Å; C125-H127 VanDerWaalsContact C-N 3.26Å; C125-H127 PolarHBondContact O-N 3.48Å
128I88.4Confident91.7Very high1 Ų121.7 Ų21.71%0.00512%0.116CC..  trans-66141.6179.980.2166.5000109.3V103 L122 C125 V133 L148 C151 R153 I154V103-I128 HydrophobicContact CB-CG2 4.37Å; V103-I128 HydrophobicContact CG1-CG2 3.84Å; L122-I128 HydrophobicContact CB-CD1 4.34Å; L122-I128 HydrophobicContact CD1-CD1 3.56Å; L122-I128 HydrophobicContact CD1-CG2 4.47Å; C125-I128 HydrophobicContact CB-CG2 3.41Å; C125-I128 VanDerWaalsContact CB-CG2 3.41Å; I128-V133 HydrophobicContact CD1-CG2 4.15Å; I128-L148 HydrophobicContact CD1-CD2 3.89Å; I128-C151 HydrophobicContact CD1-CB 4.02Å; I128-C151 VanDerWaalsContact CD1-SG 3.57Å; I128-C151 HydrophobicContact CG1-CB 4.09Å; I128-R153 VanDerWaalsContact O-CB 3.25Å; I128-R153 WeakPolarHBondContact O-CB 3.34Å; I128-I154 HydrophobicContact CD1-CD1 3.8Å; I128-I154 HydrophobicContact CD1-CG1 3.8Å; I128-I154 HydrophobicContact CG1-CD1 3.75Å; I128-I154 HydrophobicContact CG1-CG1 3.76Å
129T91.8Very high91.6Very high40 Ų4027.2 Ų27.225%0.24513%0.134CC..  trans-109.2162.6-17964.70000111.2Q131 D132 V133T129-Q131 PolarHBondContact O-N 3.01Å; T129-D132 PolarHBondContact N-OD2 3.06Å; T129-D132 WeakPolarHBondContact O-CB 3.4Å; T129-D132 PolarHBondContact O-N 3.3Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.29Å; T129-D132 PolarHBondContact OG1-OD2 3.37Å; T129-V133 PolarHBondContact O-N 3.35Å
130D94.7Very high91.5Very high22 Ų2226.3 Ų26.312%0.11813%0.129CC..Hα-helixtrans-54.5-35.3171.4-62.4-59.3000111.7D132 V133 V134 T155 R157 S158D130-D132 VanDerWaalsContact C-N 3.35Å; D130-D132 PolarHBondContact O-N 2.91Å; D130-V133 PolarHBondContact O-N 2.98Å; D130-V134 WeakPolarHBondContact O-CB 3.47Å; D130-V134 VanDerWaalsContact O-CG2 3.23Å; D130-V134 WeakPolarHBondContact O-CG2 3.31Å; D130-V134 PolarHBondContact O-N 3.31Å; D130-T155 PolarHBondContact OD1-N 3.39Å; D130-T155 PolarHBondContact OD1-OG1 2.97Å; D130-T155 PolarHBondContact OD2-OG1 2.95Å; D130-R157 HydrophobicContact CB-CB 3.93Å; D130-S158 WeakPolarHBondContact CA-OG 3.05Å; D130-S158 WeakPolarHBondContact OD1-CB 3.38Å; D130-S158 PolarHBondContact OD1-N 2.96Å; D130-S158 VanDerWaalsContact OD1-N 3.17Å; D130-S158 PolarHBondContact OD1-OG 3.11Å
131Q94.9Very high91.3Very high119 Ų11930.3 Ų30.356%0.55615%0.147SC*.Hα-helixtrans-65.7-36.1178.8-172.458.843.200112.5T129 S135T129-Q131 PolarHBondContact O-N 3.01Å; Q131-S135 PolarHBondContact NE2-OG 3.44Å; Q131-S135 VanDerWaalsContact O-CB 3.31Å; Q131-S135 WeakPolarHBondContact O-CB 3.41Å; Q131-S135 PolarHBondContact O-N 2.92Å; Q131-S135 PolarHBondContact O-OG 3.4Å
132D94.6Very high91.3Very high25 Ų2535.1 Ų35.113%0.13417%0.166CC..Hα-helixtrans-63.6-45.9176.3-63.7-52000110.4S104 L107 T129 D130 S135 V136S104-D132 WeakPolarHBondContact CB-OD1 3.42Å; S104-D132 PolarHBondContact OG-OD1 3Å; S104-D132 PolarHBondContact OG-OD2 3Å; L107-D132 HydrophobicContact CD1-CB 4.2Å; T129-D132 PolarHBondContact N-OD2 3.06Å; T129-D132 WeakPolarHBondContact O-CB 3.4Å; T129-D132 PolarHBondContact O-N 3.3Å; T129-D132 VanDerWaalsContact OG1-CG 3.31Å; T129-D132 PolarHBondContact OG1-N 3.29Å; T129-D132 PolarHBondContact OG1-OD2 3.37Å; D130-D132 VanDerWaalsContact C-N 3.35Å; D130-D132 PolarHBondContact O-N 2.91Å; D132-S135 PolarHBondContact O-N 3.25Å; D132-V136 WeakPolarHBondContact O-CG2 3.44Å; D132-V136 PolarHBondContact O-N 3.38Å; D132-V136 VanDerWaalsContact O-N 3.08Å
133V95.7Very high91.5Very high3 Ų335.3 Ų35.32%0.01817%0.167CC..Hα-helixtrans-63.3-47.8177.9178.20000110.8I128 T129 D130 S135 V136 L137 L146 L148 I154I128-V133 HydrophobicContact CD1-CG2 4.15Å; T129-V133 PolarHBondContact O-N 3.35Å; D130-V133 PolarHBondContact O-N 2.98Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 2.87Å; V133-V136 PolarHBondContact O-N 3.3Å; V133-L137 HydrophobicContact CG1-CD1 3.98Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 VanDerWaalsContact O-CG 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.33Å; V133-L146 HydrophobicContact CG1-CD2 3.84Å; V133-L148 HydrophobicContact CG1-CD1 4.36Å; V133-L148 HydrophobicContact CG2-CD1 4.01Å; V133-L148 HydrophobicContact CG2-CD2 4.31Å; V133-I154 HydrophobicContact CG2-CD1 3.6Å
134V95.9Very high92Very high19 Ų1941.1 Ų41.112%0.11519%0.189CC..Hα-helixtrans-57.8-43.4176.4168.20000111.3D130 V136 L137 Q138D130-V134 WeakPolarHBondContact O-CB 3.47Å; D130-V134 VanDerWaalsContact O-CG2 3.23Å; D130-V134 WeakPolarHBondContact O-CG2 3.31Å; D130-V134 PolarHBondContact O-N 3.31Å; V134-V136 VanDerWaalsContact C-N 3.32Å; V134-V136 PolarHBondContact O-N 2.86Å; V134-L137 PolarHBondContact O-N 3.41Å; V134-L137 VanDerWaalsContact O-N 3.16Å; V134-Q138 HydrophobicContact CG1-CG 4.31Å; V134-Q138 WeakPolarHBondContact O-CB 3.38Å; V134-Q138 WeakPolarHBondContact O-CG 3.47Å; V134-Q138 PolarHBondContact O-N 3.19Å
135S95.8Very high92.8Very high35 Ų3541.4 Ų41.425%0.24519%0.191CC..Hα-helixtrans-62-40.7179-590000111.6Q131 D132 V133 Q138 R139Q131-S135 PolarHBondContact NE2-OG 3.44Å; Q131-S135 VanDerWaalsContact O-CB 3.31Å; Q131-S135 WeakPolarHBondContact O-CB 3.41Å; Q131-S135 PolarHBondContact O-N 2.92Å; Q131-S135 PolarHBondContact O-OG 3.4Å; D132-S135 PolarHBondContact O-N 3.25Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 2.87Å; S135-Q138 PolarHBondContact O-N 3.08Å; S135-R139 WeakPolarHBondContact O-CG 3.5Å; S135-R139 PolarHBondContact O-N 3.22Å; S135-R139 VanDerWaalsContact O-N 3.09Å
136V95.9Very high93.5Very high1 Ų141.4 Ų41.41%0.00619%0.19CC..Hα-helixtrans-62.3-47173.3173.50000110.7L107 C111 L120 D132 V133 V134 Q138 R139 C140 L143L107-V136 HydrophobicContact CB-CG2 4.44Å; L107-V136 HydrophobicContact CD2-CG2 4.24Å; C111-V136 VanDerWaalsContact SG-CA 3.57Å; L120-V136 HydrophobicContact CD2-CB 4.44Å; L120-V136 HydrophobicContact CD2-CG1 3.84Å; L120-V136 HydrophobicContact CD2-CG2 4.23Å; D132-V136 WeakPolarHBondContact O-CG2 3.44Å; D132-V136 PolarHBondContact O-N 3.38Å; D132-V136 VanDerWaalsContact O-N 3.08Å; V133-V136 PolarHBondContact O-N 3.3Å; V134-V136 VanDerWaalsContact C-N 3.32Å; V134-V136 PolarHBondContact O-N 2.86Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 2.9Å; V136-R139 PolarHBondContact O-N 2.73Å; V136-C140 HydrophobicContact CG1-CB 4.16Å; V136-C140 WeakPolarHBondContact O-CA 3.36Å; V136-C140 VanDerWaalsContact O-CB 3.28Å; V136-C140 WeakPolarHBondContact O-CB 3.44Å; V136-C140 PolarHBondContact O-N 2.94Å; V136-L143 HydrophobicContact CG1-CD2 4.26Å
137L95.3Very high94.4Very high3 Ų345 Ų452%0.01620%0.203CC..Hα-helixtrans-63.4-32.2179.5-65.5168.1000112.9V133 V134 K141 L143 L146 V162 H165 L169V133-L137 HydrophobicContact CG1-CD1 3.98Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 VanDerWaalsContact O-CG 3.3Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 3.41Å; V134-L137 VanDerWaalsContact O-N 3.16Å; L137-K141 PolarHBondContact O-NZ 3.03Å; L137-K141 VanDerWaalsContact O-NZ 3.11Å; L137-L143 HydrophobicContact CD2-CD2 4.03Å; L137-L146 HydrophobicContact CD2-CD2 4.39Å; L137-V162 HydrophobicContact CD1-CB 4.44Å; L137-V162 HydrophobicContact CD1-CG2 3.79Å; L137-H165 HydrophobicContact CB-CB 3.94Å; L137-L169 HydrophobicContact CD2-CD1 3.53Å; L137-L169 HydrophobicContact CD2-CG 4.37Å
138Q94.9Very high95Very high80 Ų8044 Ų4437%0.37420%0.198SC..Hα-helixtrans-73.6-35.2176.3-74177.7-8.700112.8V134 S135 V136 K141 H165V134-Q138 HydrophobicContact CG1-CG 4.31Å; V134-Q138 WeakPolarHBondContact O-CB 3.38Å; V134-Q138 WeakPolarHBondContact O-CG 3.47Å; V134-Q138 PolarHBondContact O-N 3.19Å; S135-Q138 PolarHBondContact O-N 3.08Å; V136-Q138 VanDerWaalsContact C-N 3.27Å; V136-Q138 PolarHBondContact O-N 2.9Å; Q138-K141 WeakPolarHBondContact O-CE 3.35Å; Q138-H165 HydrophobicContact CG-CB 4.34Å; Q138-H165 VanDerWaalsContact CG-CD2 3.5Å; Q138-H165 WeakPolarHBondContact CG-CD2 3.33Å; Q138-H165 PolarHBondContact NE2-NE2 3.46Å
139R95Very high95Very high154 Ų15446.3 Ų46.358%0.58121%0.209SC*.Hα-helixtrans-96.7-39.6-174.1-62.6-66.1-171.9-174.41.2113.5C111 S135 V136 K141C111-R139 HydrophobicContact CB-CB 4.01Å; C111-R139 HydrophobicContact CB-CG 3.98Å; C111-R139 WeakPolarHBondContact O-CB 3.38Å; S135-R139 WeakPolarHBondContact O-CG 3.5Å; S135-R139 PolarHBondContact O-N 3.22Å; S135-R139 VanDerWaalsContact O-N 3.09Å; V136-R139 PolarHBondContact O-N 2.73Å; R139-K141 PolarHBondContact O-N 3.33Å
140C94.9Very high94.7Very high2 Ų245.3 Ų45.31%0.01420%0.203CC..  trans-91.668.8-178.5-60.20000110.6L117 V136 K142 L143L117-C140 HydrophobicContact CB-CB 4.15Å; V136-C140 HydrophobicContact CG1-CB 4.16Å; V136-C140 WeakPolarHBondContact O-CA 3.36Å; V136-C140 VanDerWaalsContact O-CB 3.28Å; V136-C140 WeakPolarHBondContact O-CB 3.44Å; V136-C140 PolarHBondContact O-N 2.94Å; C140-K142 PolarHBondContact O-N 3.45Å; C140-L143 HydrophobicContact CB-CB 4.47Å; C140-L143 VanDerWaalsContact O-CB 3.26Å; C140-L143 WeakPolarHBondContact O-CB 3.27Å; C140-L143 PolarHBondContact O-N 3.48Å
141K94.3Very high94.3Very high85 Ų8544.3 Ų44.337%0.3720%0.197SC..THydrogen-bonded Turntrans-64.5-13.7-174.7-66.3-52.6-165.1-175.80115.2L137 Q138 R139 H165 N168L137-K141 PolarHBondContact O-NZ 3.03Å; L137-K141 VanDerWaalsContact O-NZ 3.11Å; Q138-K141 WeakPolarHBondContact O-CE 3.35Å; R139-K141 PolarHBondContact O-N 3.33Å; K141-H165 PolarHBondContact NZ-O 3.03Å; K141-N168 PolarHBondContact O-ND2 2.95Å
142K95.3Very high93.7Very high112 Ų11238.9 Ų38.949%0.48717%0.172SC..THydrogen-bonded Turntrans-90.53.5176.1-61.8-169.9-178.3172.20113.8N116 L117 L118 C140 R144N116-K142 HydrophobicContact CB-CD 4.46Å; N116-K142 WeakPolarHBondContact OD1-CD 3.5Å; N116-K142 WeakPolarHBondContact OD1-CE 3.47Å; N116-K142 PolarHBondContact OD1-NZ 3.38Å; L117-K142 CarbonylContact O-C 3.42Å; L118-K142 HydrophobicContact CD2-CB 4.06Å; L118-K142 VanDerWaalsContact CD2-O 3.27Å; L118-K142 WeakPolarHBondContact CD2-O 3.42Å; C140-K142 PolarHBondContact O-N 3.45Å; K142-R144 PolarHBondContact O-N 3.13Å
143L96.8Very high93.3Very high5 Ų542.7 Ų42.73%0.02619%0.185CC..  trans-64.2126.9-178.3-164.874.6000110.3L117 L120 V136 L137 C140 L146 N168 L169L117-L143 HydrophobicContact CB-CD1 4.48Å; L117-L143 HydrophobicContact CD2-CD1 4.04Å; L117-L143 HydrophobicContact CG-CD1 4.01Å; L117-L143 VanDerWaalsContact O-CA 3.3Å; L117-L143 WeakPolarHBondContact O-CA 3.42Å; L117-L143 PolarHBondContact O-N 3.18Å; L117-L143 VanDerWaalsContact O-N 3.14Å; L120-L143 HydrophobicContact CB-CD1 4.04Å; V136-L143 HydrophobicContact CG1-CD2 4.26Å; L137-L143 HydrophobicContact CD2-CD2 4.03Å; C140-L143 HydrophobicContact CB-CB 4.47Å; C140-L143 VanDerWaalsContact O-CB 3.26Å; C140-L143 WeakPolarHBondContact O-CB 3.27Å; C140-L143 PolarHBondContact O-N 3.48Å; L143-L146 HydrophobicContact CD2-CB 4.3Å; L143-N168 CarbonylContact O-C 3.55Å; L143-N168 VanDerWaalsContact O-C 3.29Å; L143-L169 HydrophobicContact CB-CD2 4.31Å; L143-L169 HydrophobicContact CD2-CD2 3.98Å; L143-L169 HydrophobicContact CG-CD2 3.9Å; L143-L169 PolarHBondContact O-N 3.46Å
144R97Very high93.1Very high124 Ų12442.6 Ų42.647%0.46818%0.184SC..  trans-110.3-34.1-179.1-68.3-179.3-179.8-135.16.6113L118 K142 E170 E171L118-R144 PolarHBondContact O-N 2.55Å; K142-R144 PolarHBondContact O-N 3.13Å; R144-E170 HydrophobicContact CB-CG 4.45Å; R144-E170 WeakPolarHBondContact CD-OE1 3.23Å; R144-E170 IonicContact CZ-OE1 3.46Å; R144-E170 IonicContact NE-OE1 3.54Å; R144-E170 IonicContact NH1-OE1 2.75Å; R144-E170 PolarHBondContact NH1-OE1 2.9Å; R144-E170 PolarHBondContact O-N 2.92Å; R144-E171 PolarHBondContact O-N 2.85Å
145S97.8Very high92.9Very high10 Ų1043.6 Ų43.67%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-130.1123.2-1791760000110.5L118 T119 L120 E171L118-S145 PolarHBondContact O-N 2.94Å; L118-S145 VanDerWaalsContact O-N 3.08Å; T119-S145 WeakPolarHBondContact CA-O 3.24Å; L120-S145 PolarHBondContact N-O 3.33Å; S145-E171 WeakPolarHBondContact CA-O 3.43Å; S145-E171 PolarHBondContact OG-OE2 3.33Å
146L97.3Very high92.9Very high2 Ų244.1 Ų44.11%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-118.7119.2174175.264.8000109.2L120 V133 L137 L143 L148 V162 L169 E171 V172 R173L120-L146 HydrophobicContact CB-CD1 4.11Å; L120-L146 HydrophobicContact CD2-CD1 3.96Å; L120-L146 HydrophobicContact CG-CD1 4.11Å; V133-L146 HydrophobicContact CG1-CD2 3.84Å; L137-L146 HydrophobicContact CD2-CD2 4.39Å; L143-L146 HydrophobicContact CD2-CB 4.3Å; L146-L148 HydrophobicContact CD1-CD2 3.99Å; L146-L148 HydrophobicContact CD1-CG 4.27Å; L146-L148 HydrophobicContact CD2-CD1 4.44Å; L146-L148 HydrophobicContact CG-CG 4.25Å; L146-V162 HydrophobicContact CD2-CG2 4.02Å; L146-L169 HydrophobicContact CB-CD2 4.03Å; L146-E171 PolarHBondContact N-O 3.19Å; L146-V172 HydrophobicContact CB-CG2 4.35Å; L146-V172 CarbonylContact O-C 3.59Å; L146-V172 VanDerWaalsContact O-CA 3.29Å; L146-V172 WeakPolarHBondContact O-CA 3.46Å; L146-R173 PolarHBondContact O-N 3.46Å
147R95.4Very high92.8Very high79 Ų7952.6 Ų52.630%0.29822%0.222SC..EExtended strand (participates in β ladder)trans-119.5119.5175.5-62.7-167.3-73-119.10.9110.2L120 T121 L122 R173L120-R147 PolarHBondContact O-N 3.34Å; T121-R147 CarbonylContact C-O 3.38Å; T121-R147 WeakPolarHBondContact CA-O 3.44Å; T121-R147 HydrophobicContact CG2-CB 4.05Å; T121-R147 PolarHBondContact OG1-NE 3.23Å; T121-R147 PolarHBondContact OG1-NH2 3.37Å; T121-R147 VanDerWaalsContact OG1-NH2 3.13Å; L122-R147 PolarHBondContact N-O 3.04Å; R147-R173 CarbonylContact C-O 3.1Å; R147-R173 WeakPolarHBondContact CA-O 3.45Å; R147-R173 HydrophobicContact CB-CB 4.39Å; R147-R173 HydrophobicContact CG-CB 3.97Å; R147-R173 HydrophobicContact CG-CG 3.95Å
148L93.2Very high92.8Very high2 Ų252.5 Ų52.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-116.8112.8173.7-55.7178.7000106.6L122 I128 V133 L146 I154 R173 V174 D175L122-L148 HydrophobicContact CB-CD2 3.99Å; L122-L148 HydrophobicContact CD1-CD2 3.88Å; L122-L148 HydrophobicContact CG-CD2 4.24Å; L122-L148 WeakPolarHBondContact O-CA 3.23Å; I128-L148 HydrophobicContact CD1-CD2 3.89Å; V133-L148 HydrophobicContact CG1-CD1 4.36Å; V133-L148 HydrophobicContact CG2-CD1 4.01Å; V133-L148 HydrophobicContact CG2-CD2 4.31Å; L146-L148 HydrophobicContact CD1-CD2 3.99Å; L146-L148 HydrophobicContact CD1-CG 4.27Å; L146-L148 HydrophobicContact CD2-CD1 4.44Å; L146-L148 HydrophobicContact CG-CG 4.25Å; L148-I154 HydrophobicContact CD1-CD1 4.44Å; L148-I154 HydrophobicContact CD1-CG1 4.29Å; L148-I154 HydrophobicContact CD1-CG2 4.01Å; L148-R173 PolarHBondContact N-O 3.07Å; L148-V174 HydrophobicContact CB-CG1 4.34Å; L148-V174 HydrophobicContact CD1-CG1 4.31Å; L148-V174 CarbonylContact O-C 3.57Å; L148-V174 VanDerWaalsContact O-CA 3.25Å; L148-V174 WeakPolarHBondContact O-CA 3.33Å; L148-D175 PolarHBondContact O-N 3.33Å
149E88.9Confident92.8Very high51 Ų5148.9 Ų48.924%0.23821%0.205CC..EExtended strand (participates in β ladder)trans-118.8124179.9-173.2-171.2-17300109.2Y73 L122 S123 G124 C151 D175 F176Y73-E149 PolarHBondContact OH-OE2 2.81Å; L122-E149 PolarHBondContact O-N 2.91Å; S123-E149 CarbonylContact C-O 3.55Å; S123-E149 VanDerWaalsContact CA-O 3.31Å; S123-E149 WeakPolarHBondContact CA-O 3.42Å; S123-E149 WeakPolarHBondContact CB-OE2 3.33Å; S123-E149 PolarHBondContact OG-OE2 3.44Å; G124-E149 PolarHBondContact N-O 3.3Å; E149-C151 PolarHBondContact O-N 3.31Å; E149-D175 CarbonylContact C-O 3.56Å; E149-D175 VanDerWaalsContact CA-O 3.29Å; E149-D175 WeakPolarHBondContact CA-O 3.42Å; E149-D175 HydrophobicContact CG-CB 4.42Å; E149-F176 HydrophobicContact CG-CD2 4.05Å
150N84.5Confident92.8Very high19 Ų1948.8 Ų48.810%0.10221%0.205CC..SBendtrans55.143.6174.2175.564.6000111.9N82 D175 F176N82-N150 PolarHBondContact ND2-ND2 2.73Å; N82-N150 PolarHBondContact OD1-ND2 3.32Å; N150-D175 PolarHBondContact N-O 2.58Å; N150-F176 WeakPolarHBondContact CA-O 3.46Å; N150-F176 HydrophobicContact CB-CB 3.82Å
151C87Confident92.8Very high0 Ų048.8 Ų48.80%021%0.205CC..  trans-99.393.3173.9-71.90000109.1C125 I128 E149 R153 I154C125-C151 PolarHBondContact O-SG 2.95Å; I128-C151 HydrophobicContact CD1-CB 4.02Å; I128-C151 VanDerWaalsContact CD1-SG 3.57Å; I128-C151 HydrophobicContact CG1-CB 4.09Å; E149-C151 PolarHBondContact O-N 3.31Å; C151-R153 VanDerWaalsContact C-N 3.33Å; C151-R153 PolarHBondContact O-N 3.2Å; C151-I154 HydrophobicContact CB-CB 4.19Å; C151-I154 HydrophobicContact CB-CG1 3.6Å; C151-I154 WeakPolarHBondContact O-CB 3.49Å; C151-I154 PolarHBondContact O-N 3.48Å
152V81.6Confident92.8Very high6 Ų644.9 Ų44.94%0.03619%0.188CC..THydrogen-bonded Turntrans-65.8-28.9-169.4-63.20000114.6A126 I154 N179 D208A126-V152 HydrophobicContact CB-CG2 3.85Å; V152-I154 VanDerWaalsContact C-N 3.32Å; V152-I154 PolarHBondContact O-N 3.49Å; V152-N179 PolarHBondContact O-ND2 2.92Å; V152-D208 WeakPolarHBondContact CB-OD2 3.2Å
153R86.2Confident92.7Very high105 Ų10540.2 Ų40.240%0.39617%0.171SC..THydrogen-bonded Turntrans-85.5-1.1179.9-71.3174.478.1159.6-0.6114.3D100 A126 I128 C151D100-R153 IonicContact OD1-NH1 3.84Å; A126-R153 WeakPolarHBondContact O-CD 3.35Å; A126-R153 VanDerWaalsContact O-CG 3.23Å; A126-R153 WeakPolarHBondContact O-CG 3.47Å; I128-R153 VanDerWaalsContact O-CB 3.25Å; I128-R153 WeakPolarHBondContact O-CB 3.34Å; C151-R153 VanDerWaalsContact C-N 3.33Å; C151-R153 PolarHBondContact O-N 3.2Å
154I91.3Very high92.6Very high0 Ų045.4 Ų45.40%020%0.195CC..  trans-83.1130.7177.7-67.3-62.3000110I128 V133 L148 C151 V152 S158 N179 I180I128-I154 HydrophobicContact CD1-CD1 3.8Å; I128-I154 HydrophobicContact CD1-CG1 3.8Å; I128-I154 HydrophobicContact CG1-CD1 3.75Å; I128-I154 HydrophobicContact CG1-CG1 3.76Å; V133-I154 HydrophobicContact CG2-CD1 3.6Å; L148-I154 HydrophobicContact CD1-CD1 4.44Å; L148-I154 HydrophobicContact CD1-CG1 4.29Å; L148-I154 HydrophobicContact CD1-CG2 4.01Å; C151-I154 HydrophobicContact CB-CB 4.19Å; C151-I154 HydrophobicContact CB-CG1 3.6Å; C151-I154 WeakPolarHBondContact O-CB 3.49Å; C151-I154 PolarHBondContact O-N 3.48Å; V152-I154 VanDerWaalsContact C-N 3.32Å; V152-I154 PolarHBondContact O-N 3.49Å; I154-S158 WeakPolarHBondContact CD1-OG 3.03Å; I154-N179 WeakPolarHBondContact O-CB 3.25Å; I154-I180 HydrophobicContact CG2-CD1 4.05Å; I154-I180 HydrophobicContact CG2-CG1 4.31Å
155T93.3Very high92.4Very high40 Ų4041.6 Ų41.625%0.24518%0.182CC..  trans-124.8179.1-176.475.30000111.3D130 R157 S158 N179 I180D130-T155 PolarHBondContact OD1-N 3.39Å; D130-T155 PolarHBondContact OD1-OG1 2.97Å; D130-T155 PolarHBondContact OD2-OG1 2.95Å; T155-R157 PolarHBondContact O-N 3.2Å; T155-R157 WeakPolarHBondContact OG1-CB 2.94Å; T155-R157 PolarHBondContact OG1-N 3.23Å; T155-S158 WeakPolarHBondContact O-CB 3.2Å; T155-S158 PolarHBondContact O-N 3.44Å; T155-N179 WeakPolarHBondContact CA-O 3.5Å; T155-N179 HydrophobicContact CG2-CB 4.13Å; T155-I180 VanDerWaalsContact O-CD1 3.23Å; T155-I180 WeakPolarHBondContact O-CD1 3.39Å
156D94.2Very high92.1Very high46 Ų4641.4 Ų41.425%0.24618%0.181CC..Hα-helixtrans-55.2-17.8174.3-64.1-21.6000113.5S158 L159 R160 I180 T181D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 2.63Å; D156-L159 WeakPolarHBondContact O-CB 3.48Å; D156-L159 PolarHBondContact O-N 3.17Å; D156-R160 PolarHBondContact O-N 3.05Å; D156-I180 WeakPolarHBondContact OD1-CA 3.25Å; D156-T181 PolarHBondContact OD1-N 2.62Å; D156-T181 WeakPolarHBondContact OD2-CB 3.23Å; D156-T181 WeakPolarHBondContact OD2-CG2 3.1Å; D156-T181 PolarHBondContact OD2-OG1 3.21Å
157R95.1Very high91.7Very high180 Ų18046.8 Ų46.868%0.67921%0.21SC*.Hα-helixtrans-61.7-37.5171.9-67.3-179.4173.8-170-1.1112.3D130 T155 L159 R160 G161D130-R157 HydrophobicContact CB-CB 3.93Å; T155-R157 PolarHBondContact O-N 3.2Å; T155-R157 WeakPolarHBondContact OG1-CB 2.94Å; T155-R157 PolarHBondContact OG1-N 3.23Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.31Å; R157-R160 PolarHBondContact O-N 3.29Å; R157-G161 PolarHBondContact O-N 2.74Å
158S95Very high91.6Very high1 Ų147.5 Ų47.51%0.00722%0.22CC..Hα-helixtrans-62.7-39.6173.4-73.30000111.8D130 I154 T155 D156 G161 V162D130-S158 WeakPolarHBondContact CA-OG 3.05Å; D130-S158 WeakPolarHBondContact OD1-CB 3.38Å; D130-S158 PolarHBondContact OD1-N 2.96Å; D130-S158 VanDerWaalsContact OD1-N 3.17Å; D130-S158 PolarHBondContact OD1-OG 3.11Å; I154-S158 WeakPolarHBondContact CD1-OG 3.03Å; T155-S158 WeakPolarHBondContact O-CB 3.2Å; T155-S158 PolarHBondContact O-N 3.44Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 2.63Å; S158-G161 PolarHBondContact O-N 2.85Å; S158-V162 WeakPolarHBondContact O-CG2 3.35Å; S158-V162 PolarHBondContact O-N 3.46Å
159L95.1Very high91.7Very high3 Ų347.9 Ų47.92%0.01622%0.222CC..Hα-helixtrans-66.8-37.4176.4-64.5179000112D156 R157 V162 A163 V174 I180 L185 C188 L197D156-L159 WeakPolarHBondContact O-CB 3.48Å; D156-L159 PolarHBondContact O-N 3.17Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.31Å; L159-V162 WeakPolarHBondContact O-CB 3.42Å; L159-V162 PolarHBondContact O-N 3.47Å; L159-A163 PolarHBondContact O-N 3.09Å; L159-V174 HydrophobicContact CD2-CG1 4.16Å; L159-V174 HydrophobicContact CD2-CG2 4.36Å; L159-I180 HydrophobicContact CD1-CD1 3.81Å; L159-I180 HydrophobicContact CD1-CG2 3.78Å; L159-I180 HydrophobicContact CG-CD1 3.79Å; L159-L185 HydrophobicContact CD1-CD2 3.79Å; L159-L185 HydrophobicContact CD1-CG 4.19Å; L159-C188 HydrophobicContact CB-CB 4.11Å; L159-L197 HydrophobicContact CD2-CD1 4.19Å
160R94.8Very high92Very high153 Ų15350.2 Ų50.258%0.57723%0.233SC*.Hα-helixtrans-61.9-46.1170.6-173.2-179.7-59.5175.60.6111.4D156 R157 V162 A163 E164D156-R160 PolarHBondContact O-N 3.05Å; R157-R160 PolarHBondContact O-N 3.29Å; R160-V162 VanDerWaalsContact C-N 3.27Å; R160-V162 PolarHBondContact O-N 3.32Å; R160-A163 WeakPolarHBondContact O-CA 3.49Å; R160-A163 WeakPolarHBondContact O-CB 3.11Å; R160-A163 PolarHBondContact O-N 3.33Å; R160-E164 WeakPolarHBondContact CD-OE1 3.14Å; R160-E164 HydrophobicContact CG-CG 4.33Å; R160-E164 VanDerWaalsContact CG-OE1 3.28Å; R160-E164 WeakPolarHBondContact CG-OE1 3.38Å; R160-E164 WeakPolarHBondContact O-CG 2.89Å; R160-E164 PolarHBondContact O-N 3.46Å
161G94.8Very high92.6Very high2 Ų250.8 Ų50.82%0.02124%0.235CC..Hα-helixtrans-59.1-38.3174.800000113.1R157 S158 A163 E164 H165R157-G161 PolarHBondContact O-N 2.74Å; S158-G161 PolarHBondContact O-N 2.85Å; G161-A163 VanDerWaalsContact C-N 3.34Å; G161-E164 PolarHBondContact O-N 3.37Å; G161-H165 WeakPolarHBondContact O-CB 3.24Å; G161-H165 PolarHBondContact O-N 2.81Å
162V94.8Very high93Very high2 Ų250.8 Ų50.81%0.01224%0.235CC..Hα-helixtrans-58.8-46.2171.2162.80000110.4L137 L146 S158 L159 R160 G166 L169 V172 R192 I195L137-V162 HydrophobicContact CD1-CB 4.44Å; L137-V162 HydrophobicContact CD1-CG2 3.79Å; L146-V162 HydrophobicContact CD2-CG2 4.02Å; S158-V162 WeakPolarHBondContact O-CG2 3.35Å; S158-V162 PolarHBondContact O-N 3.46Å; L159-V162 WeakPolarHBondContact O-CB 3.42Å; L159-V162 PolarHBondContact O-N 3.47Å; R160-V162 VanDerWaalsContact C-N 3.27Å; R160-V162 PolarHBondContact O-N 3.32Å; V162-G166 WeakPolarHBondContact O-CA 3.4Å; V162-G166 PolarHBondContact O-N 2.68Å; V162-G166 VanDerWaalsContact O-N 3.12Å; V162-L169 HydrophobicContact CG1-CD1 4.04Å; V162-L169 HydrophobicContact CG2-CD1 4.26Å; V162-V172 HydrophobicContact CG1-CG2 3.82Å; V162-V172 HydrophobicContact CG2-CG2 4.28Å; V162-R192 VanDerWaalsContact CG1-NH2 3.32Å; V162-R192 PolarHBondContact O-NE 3.42Å; V162-R192 VanDerWaalsContact O-NE 3.15Å; V162-R192 PolarHBondContact O-NH2 2.94Å; V162-I195 HydrophobicContact CG1-CD1 3.76Å
163A93.4Very high93.7Very high15 Ų1555.1 Ų55.112%0.12425%0.251CS..Hα-helixtrans-65.8-38.5178.900000113.2L159 R160 G161 M191 R192L159-A163 PolarHBondContact O-N 3.09Å; R160-A163 WeakPolarHBondContact O-CA 3.49Å; R160-A163 WeakPolarHBondContact O-CB 3.11Å; R160-A163 PolarHBondContact O-N 3.33Å; G161-A163 VanDerWaalsContact C-N 3.34Å; A163-M191 HydrophobicContact CB-CB 3.9Å; A163-M191 HydrophobicContact CB-CE 3.38Å; A163-M191 HydrophobicContact CB-CG 4.45Å; A163-M191 HydrophobicContact CB-SD 3.72Å; A163-R192 HydrophobicContact CB-CG 4.3Å
164E93.6Very high93.9Very high113 Ų11350.1 Ų50.153%0.52823%0.232SC..Hα-helixtrans-83.4-28.3-174.6-70.7174.1-177.900114.8R160 G161R160-E164 WeakPolarHBondContact CD-OE1 3.14Å; R160-E164 HydrophobicContact CG-CG 4.33Å; R160-E164 VanDerWaalsContact CG-OE1 3.28Å; R160-E164 WeakPolarHBondContact CG-OE1 3.38Å; R160-E164 WeakPolarHBondContact O-CG 2.89Å; R160-E164 PolarHBondContact O-N 3.46Å; G161-E164 PolarHBondContact O-N 3.37Å
165H94.1Very high93.8Very high45 Ų4551.2 Ų51.221%0.20824%0.238CC..Hα-helixtrans-127.4-10.1-169.5-62.1-38.5000114.9L137 Q138 K141 G161 D167L137-H165 HydrophobicContact CB-CB 3.94Å; Q138-H165 HydrophobicContact CG-CB 4.34Å; Q138-H165 VanDerWaalsContact CG-CD2 3.5Å; Q138-H165 WeakPolarHBondContact CG-CD2 3.33Å; Q138-H165 PolarHBondContact NE2-NE2 3.46Å; K141-H165 PolarHBondContact NZ-O 3.03Å; G161-H165 WeakPolarHBondContact O-CB 3.24Å; G161-H165 PolarHBondContact O-N 2.81Å; H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 PolarHBondContact O-N 3.27Å
166G90.2Very high93.4Very high5 Ų552.3 Ų52.35%0.05224%0.239CC..  trans-92.134.7-168.900000114.7V162 N168 L169 R192V162-G166 WeakPolarHBondContact O-CA 3.4Å; V162-G166 PolarHBondContact O-N 2.68Å; V162-G166 VanDerWaalsContact O-N 3.12Å; G166-N168 PolarHBondContact O-N 3.26Å; G166-L169 VanDerWaalsContact O-CB 3.27Å; G166-L169 WeakPolarHBondContact O-CB 3.28Å; G166-L169 PolarHBondContact O-N 3.17Å; G166-R192 PolarHBondContact O-NH1 3.29Å; G166-R192 PolarHBondContact O-NH2 3.07Å
167D89.3Confident93.1Very high115 Ų11550.1 Ų50.162%0.61523%0.227SC*.THydrogen-bonded Turntrans-46.5-36.5-166.7-52.4-48.6000115.4H165H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 PolarHBondContact O-N 3.27Å
168N93.2Very high92.6Very high95 Ų9544.3 Ų44.351%0.50821%0.206SC..THydrogen-bonded Turntrans-97.33.4-179.1-64.8-57.5000114.7K141 L143 G166 E170K141-N168 PolarHBondContact O-ND2 2.95Å; L143-N168 CarbonylContact O-C 3.55Å; L143-N168 VanDerWaalsContact O-C 3.29Å; G166-N168 PolarHBondContact O-N 3.26Å; N168-E170 PolarHBondContact O-N 2.69Å
169L95.2Very high92.2Very high9 Ų946 Ų465%0.04721%0.214CC..  trans-68.7126.8175.4-77.7172.3000110.3L137 L143 L146 V162 G166 V172 I195L137-L169 HydrophobicContact CD2-CD1 3.53Å; L137-L169 HydrophobicContact CD2-CG 4.37Å; L143-L169 HydrophobicContact CB-CD2 4.31Å; L143-L169 HydrophobicContact CD2-CD2 3.98Å; L143-L169 HydrophobicContact CG-CD2 3.9Å; L143-L169 PolarHBondContact O-N 3.46Å; L146-L169 HydrophobicContact CB-CD2 4.03Å; V162-L169 HydrophobicContact CG1-CD1 4.04Å; V162-L169 HydrophobicContact CG2-CD1 4.26Å; G166-L169 VanDerWaalsContact O-CB 3.27Å; G166-L169 WeakPolarHBondContact O-CB 3.28Å; G166-L169 PolarHBondContact O-N 3.17Å; L169-V172 HydrophobicContact CD1-CG2 3.88Å; L169-I195 HydrophobicContact CB-CD1 3.93Å
170E95.9Very high92Very high101 Ų10145.9 Ų45.947%0.47221%0.214SC..  trans-98.3-32.8174.8-63.1169.4-165.900110.2R144 N168 Q196R144-E170 HydrophobicContact CB-CG 4.45Å; R144-E170 WeakPolarHBondContact CD-OE1 3.23Å; R144-E170 IonicContact CZ-OE1 3.46Å; R144-E170 IonicContact NE-OE1 3.54Å; R144-E170 IonicContact NH1-OE1 2.75Å; R144-E170 PolarHBondContact NH1-OE1 2.9Å; R144-E170 PolarHBondContact O-N 2.92Å; N168-E170 PolarHBondContact O-N 2.69Å; E170-Q196 WeakPolarHBondContact O-CB 2.88Å; E170-Q196 PolarHBondContact O-N 3.37Å
171E96.4Very high91.8Very high31 Ų3141.1 Ų41.115%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-137.7131.8-172.6-178.6-175.9-144.800112R144 S145 L146 R173 Q196R144-E171 PolarHBondContact O-N 2.85Å; S145-E171 WeakPolarHBondContact CA-O 3.43Å; S145-E171 PolarHBondContact OG-OE2 3.33Å; L146-E171 PolarHBondContact N-O 3.19Å; E171-R173 HydrophobicContact CG-CG 4.2Å; E171-R173 IonicContact OE1-CZ 3.35Å; E171-R173 IonicContact OE1-NE 3.68Å; E171-R173 PolarHBondContact OE1-NE 3.47Å; E171-R173 IonicContact OE1-NH2 2.61Å; E171-R173 PolarHBondContact OE1-NH2 3.34Å; E171-Q196 WeakPolarHBondContact CA-O 3.07Å
172V96.4Very high91.5Very high0 Ų046.6 Ų46.60%023%0.225CC..EExtended strand (participates in β ladder)trans-131.2122170.6174.90000109.3L146 V162 L169 V174 I195 Q196 L197 S198L146-V172 HydrophobicContact CB-CG2 4.35Å; L146-V172 CarbonylContact O-C 3.59Å; L146-V172 VanDerWaalsContact O-CA 3.29Å; L146-V172 WeakPolarHBondContact O-CA 3.46Å; V162-V172 HydrophobicContact CG1-CG2 3.82Å; V162-V172 HydrophobicContact CG2-CG2 4.28Å; L169-V172 HydrophobicContact CD1-CG2 3.88Å; V172-V174 HydrophobicContact CG1-CG1 4.1Å; V172-I195 HydrophobicContact CB-CD1 4.13Å; V172-I195 HydrophobicContact CG2-CD1 3.37Å; V172-I195 HydrophobicContact CG2-CG1 4.22Å; V172-Q196 PolarHBondContact N-O 3.2Å; V172-L197 HydrophobicContact CB-CD1 3.8Å; V172-L197 HydrophobicContact CG1-CD1 3.62Å; V172-L197 WeakPolarHBondContact O-CA 3.41Å; V172-S198 PolarHBondContact O-N 2.8Å
173R95.1Very high91.3Very high96 Ų9650 Ų5036%0.36225%0.253SS..EExtended strand (participates in β ladder)trans-115.9126.2171.8-50-161.5-175.6173.1-2.8109.4L146 R147 L148 E171 S198L146-R173 PolarHBondContact O-N 3.46Å; R147-R173 CarbonylContact C-O 3.1Å; R147-R173 WeakPolarHBondContact CA-O 3.45Å; R147-R173 HydrophobicContact CB-CB 4.39Å; R147-R173 HydrophobicContact CG-CB 3.97Å; R147-R173 HydrophobicContact CG-CG 3.95Å; L148-R173 PolarHBondContact N-O 3.07Å; E171-R173 HydrophobicContact CG-CG 4.2Å; E171-R173 IonicContact OE1-CZ 3.35Å; E171-R173 IonicContact OE1-NE 3.68Å; E171-R173 PolarHBondContact OE1-NE 3.47Å; E171-R173 IonicContact OE1-NH2 2.61Å; E171-R173 PolarHBondContact OE1-NH2 3.34Å; R173-S198 WeakPolarHBondContact CA-O 3.45Å; R173-S198 WeakPolarHBondContact CB-OG 3.45Å; R173-S198 WeakPolarHBondContact CD-OG 3.4Å; R173-S198 WeakPolarHBondContact CG-OG 3.26Å
174V92Very high91.2Very high1 Ų149.6 Ų49.61%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-124.657.8177.9-71.20000109.2L148 L159 V172 I180 L185 S198 A199 S202L148-V174 HydrophobicContact CB-CG1 4.34Å; L148-V174 HydrophobicContact CD1-CG1 4.31Å; L148-V174 CarbonylContact O-C 3.57Å; L148-V174 VanDerWaalsContact O-CA 3.25Å; L148-V174 WeakPolarHBondContact O-CA 3.33Å; L159-V174 HydrophobicContact CD2-CG1 4.16Å; L159-V174 HydrophobicContact CD2-CG2 4.36Å; V172-V174 HydrophobicContact CG1-CG1 4.1Å; V174-I180 HydrophobicContact CB-CG1 4.46Å; V174-I180 HydrophobicContact CG2-CG2 4.16Å; V174-L185 HydrophobicContact CG2-CD2 3.82Å; V174-S198 WeakPolarHBondContact CG2-O 3.46Å; V174-S198 PolarHBondContact N-O 2.98Å; V174-A199 HydrophobicContact CG2-CB 3.67Å; V174-S202 WeakPolarHBondContact O-CB 3.35Å; V174-S202 PolarHBondContact O-OG 2.82Å
175D89Confident91Very high22 Ų2245.1 Ų45.112%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-78.5145.4-173.6-56.7-35.3000110.7L148 E149 N150 C177 E200L148-D175 PolarHBondContact O-N 3.33Å; E149-D175 CarbonylContact C-O 3.56Å; E149-D175 VanDerWaalsContact CA-O 3.29Å; E149-D175 WeakPolarHBondContact CA-O 3.42Å; E149-D175 HydrophobicContact CG-CB 4.42Å; N150-D175 PolarHBondContact N-O 2.58Å; D175-C177 PolarHBondContact O-N 2.83Å; D175-C177 PolarHBondContact O-SG 3.49Å; D175-C177 VanDerWaalsContact O-SG 3.37Å; D175-E200 HydrophobicContact CB-CB 4.27Å; D175-E200 PolarHBondContact OD1-N 3.24Å
176F84.9Confident90.9Very high63 Ų6348 Ų4828%0.27624%0.244SC..THydrogen-bonded Turntrans52.723-178.6-58.2-84.6000115.8E149 N150 R178 E200 R201 S202 M205E149-F176 HydrophobicContact CG-CD2 4.05Å; N150-F176 WeakPolarHBondContact CA-O 3.46Å; N150-F176 HydrophobicContact CB-CB 3.82Å; F176-R178 PolarHBondContact O-N 2.69Å; F176-E200 PolarHBondContact N-O 3.08Å; F176-R201 HydrophobicContact CD1-CB 4.37Å; F176-R201 HydrophobicContact CE1-CB 4.45Å; F176-S202 PolarHBondContact N-OG 2.89Å; F176-M205 HydrophobicContact CB-CE 4.35Å; F176-M205 WeakPolarHBondContact O-CE 3.07Å
177C87.3Confident91Very high0 Ų050.3 Ų50.30%026%0.259CS..  trans-93.593.2176.7-65.40000109.5D175 N179 I180 S202D175-C177 PolarHBondContact O-N 2.83Å; D175-C177 PolarHBondContact O-SG 3.49Å; D175-C177 VanDerWaalsContact O-SG 3.37Å; C177-N179 PolarHBondContact O-N 2.77Å; C177-I180 HydrophobicContact CB-CB 4.34Å; C177-I180 HydrophobicContact CB-CG1 3.74Å; C177-I180 WeakPolarHBondContact O-CB 3.17Å; C177-I180 PolarHBondContact O-N 2.85Å; C177-I180 VanDerWaalsContact O-N 3.11Å; C177-S202 PolarHBondContact N-OG 3.3Å; C177-S202 WeakPolarHBondContact O-CB 3.44Å
178R83.6Confident91.2Very high59 Ų5944.9 Ų44.922%0.22323%0.23CC..THydrogen-bonded Turntrans-61.2-25.1-170.7-59.6-176.8-172.8146.74.9115.5F176 I180 M205 D208F176-R178 PolarHBondContact O-N 2.69Å; R178-I180 VanDerWaalsContact C-N 3.33Å; R178-M205 HydrophobicContact CB-CB 4.1Å; R178-M205 HydrophobicContact CB-CE 4.11Å; R178-M205 HydrophobicContact CG-CB 3.81Å; R178-M205 HydrophobicContact CG-CE 3.35Å; R178-M205 HydrophobicContact CG-CG 4.24Å; R178-M205 HydrophobicContact CG-SD 3.6Å; R178-D208 IonicContact NH1-OD1 3.81Å; R178-D208 PolarHBondContact NH1-OD1 3.27Å
179N87.9Confident91.1Very high35 Ų3544.8 Ų44.819%0.18723%0.225CC..THydrogen-bonded Turntrans-93.78.2-178.4-68.3-21.4000113.1V152 I154 T155 C177 P207 D208V152-N179 PolarHBondContact O-ND2 2.92Å; I154-N179 WeakPolarHBondContact O-CB 3.25Å; T155-N179 WeakPolarHBondContact CA-O 3.5Å; T155-N179 HydrophobicContact CG2-CB 4.13Å; C177-N179 PolarHBondContact O-N 2.77Å; N179-P207 WeakPolarHBondContact OD1-CA 3.34Å; N179-D208 PolarHBondContact OD1-N 2.74Å
180I90Very high90.9Very high1 Ų151.5 Ų51.51%0.00526%0.256CS..  trans-92.4122.8169.6-66.7-76.1000109I154 T155 D156 L159 V174 C177 R178 L185I154-I180 HydrophobicContact CG2-CD1 4.05Å; I154-I180 HydrophobicContact CG2-CG1 4.31Å; T155-I180 VanDerWaalsContact O-CD1 3.23Å; T155-I180 WeakPolarHBondContact O-CD1 3.39Å; D156-I180 WeakPolarHBondContact OD1-CA 3.25Å; L159-I180 HydrophobicContact CD1-CD1 3.81Å; L159-I180 HydrophobicContact CD1-CG2 3.78Å; L159-I180 HydrophobicContact CG-CD1 3.79Å; V174-I180 HydrophobicContact CB-CG1 4.46Å; V174-I180 HydrophobicContact CG2-CG2 4.16Å; C177-I180 HydrophobicContact CB-CB 4.34Å; C177-I180 HydrophobicContact CB-CG1 3.74Å; C177-I180 WeakPolarHBondContact O-CB 3.17Å; C177-I180 PolarHBondContact O-N 2.85Å; C177-I180 VanDerWaalsContact O-N 3.11Å; R178-I180 VanDerWaalsContact C-N 3.33Å; I180-L185 HydrophobicContact CG2-CD1 4.27Å; I180-L185 HydrophobicContact CG2-CD2 3.88Å; I180-L185 HydrophobicContact CG2-CG 3.85Å
181T90.6Very high90.7Very high54 Ų5451.1 Ų51.133%0.33126%0.256SS..  trans-96.9161.1-176.177.50000112.3D156 A183 G184 L185D156-T181 PolarHBondContact OD1-N 2.62Å; D156-T181 WeakPolarHBondContact OD2-CB 3.23Å; D156-T181 WeakPolarHBondContact OD2-CG2 3.1Å; D156-T181 PolarHBondContact OD2-OG1 3.21Å; T181-A183 PolarHBondContact O-N 3.14Å; T181-A183 PolarHBondContact OG1-N 2.84Å; T181-G184 PolarHBondContact O-N 3.41Å; T181-G184 PolarHBondContact OG1-N 3.24Å; T181-L185 WeakPolarHBondContact O-CG 3.45Å; T181-L185 PolarHBondContact O-N 3.44Å; T181-L185 VanDerWaalsContact O-N 3.13Å
182K89.4Confident90.4Very high117 Ų11751.2 Ų51.251%0.50926%0.255SS..Hα-helixtrans-56.2-39.4170-68.7-177.3-177.3176.50111.7L185 Q186 A203 D204K182-L185 PolarHBondContact O-N 3.25Å; K182-Q186 WeakPolarHBondContact O-CG 3.39Å; K182-Q186 PolarHBondContact O-N 2.96Å; K182-A203 HydrophobicContact CB-CB 4.36Å; K182-A203 HydrophobicContact CG-CB 3.41Å; K182-A203 VanDerWaalsContact CG-CB 3.41Å; K182-D204 WeakPolarHBondContact CE-OD1 3.29Å; K182-D204 IonicContact NZ-OD1 3.27Å; K182-D204 PolarHBondContact NZ-OD1 3.34Å
183A89.6Confident90Very high72 Ų7256.6 Ų56.660%0.59529%0.29SS*.Hα-helixtrans-65.3-43.3179.900000111.6T181 L185 Q186 S187T181-A183 PolarHBondContact O-N 3.14Å; T181-A183 PolarHBondContact OG1-N 2.84Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.02Å; A183-Q186 PolarHBondContact O-N 3.46Å; A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.38Å
184G90.9Very high89.7Confident8 Ų856.8 Ų56.88%0.08231%0.312CS..Hα-helixtrans-60.3-41.9175.200000112.9T181 C188T181-G184 PolarHBondContact O-N 3.41Å; T181-G184 PolarHBondContact OG1-N 3.24Å; G184-C188 WeakPolarHBondContact O-CB 3.36Å; G184-C188 PolarHBondContact O-N 3.44Å
185L91Very high89.7Confident18 Ų1857.4 Ų57.49%0.09432%0.315CS..Hα-helixtrans-64.4-43.7176.4-67.2170.2000112.6L159 V174 I180 T181 K182 A183 C188 K189 L197 A199 A203L159-L185 HydrophobicContact CD1-CD2 3.79Å; L159-L185 HydrophobicContact CD1-CG 4.19Å; V174-L185 HydrophobicContact CG2-CD2 3.82Å; I180-L185 HydrophobicContact CG2-CD1 4.27Å; I180-L185 HydrophobicContact CG2-CD2 3.88Å; I180-L185 HydrophobicContact CG2-CG 3.85Å; T181-L185 WeakPolarHBondContact O-CG 3.45Å; T181-L185 PolarHBondContact O-N 3.44Å; T181-L185 VanDerWaalsContact O-N 3.13Å; K182-L185 PolarHBondContact O-N 3.25Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.02Å; L185-C188 PolarHBondContact O-N 2.92Å; L185-K189 WeakPolarHBondContact O-CG 3.47Å; L185-K189 PolarHBondContact O-N 3.48Å; L185-L197 HydrophobicContact CB-CD2 4.26Å; L185-L197 HydrophobicContact CD2-CD1 4.22Å; L185-L197 HydrophobicContact CD2-CD2 3.67Å; L185-L197 HydrophobicContact CD2-CG 4.01Å; L185-A199 HydrophobicContact CD1-CB 3.48Å; L185-A199 VanDerWaalsContact CD1-CB 3.48Å; L185-A199 HydrophobicContact CD2-CB 3.65Å; L185-A199 HydrophobicContact CG-CB 4.23Å; L185-A203 HydrophobicContact CD1-CB 3.7Å
186Q90.9Very high89.9Confident107 Ų10763 Ų6350%0.534%0.34SS..Hα-helixtrans-64.9-47.2177.8-67.3-59-16.900111.2K182 A183 C188 K189 E190K182-Q186 WeakPolarHBondContact O-CG 3.39Å; K182-Q186 PolarHBondContact O-N 2.96Å; A183-Q186 PolarHBondContact O-N 3.46Å; Q186-C188 VanDerWaalsContact C-N 3.27Å; Q186-C188 PolarHBondContact O-N 3.42Å; Q186-K189 PolarHBondContact O-N 3.36Å; Q186-E190 WeakPolarHBondContact O-CG 3.32Å; Q186-E190 PolarHBondContact O-N 3.44Å
187S93.4Very high90.3Very high52 Ų5261 Ų6136%0.36433%0.332SS..Hα-helixtrans-58.1-40.1177.3-176.50000112.1A183 E190 M191A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.38Å; S187-E190 PolarHBondContact O-N 3.25Å; S187-M191 WeakPolarHBondContact O-CE 3.21Å; S187-M191 WeakPolarHBondContact O-CG 3.46Å; S187-M191 PolarHBondContact O-N 3.07Å
188C92.1Very high90.5Very high1 Ų162.7 Ų62.71%0.00735%0.345CS..Hα-helixtrans-64-43.1175-169.50000112.5L159 G184 L185 Q186 M191 R192 L197L159-C188 HydrophobicContact CB-CB 4.11Å; G184-C188 WeakPolarHBondContact O-CB 3.36Å; G184-C188 PolarHBondContact O-N 3.44Å; L185-C188 PolarHBondContact O-N 2.92Å; Q186-C188 VanDerWaalsContact C-N 3.27Å; Q186-C188 PolarHBondContact O-N 3.42Å; C188-M191 PolarHBondContact O-N 3.17Å; C188-R192 PolarHBondContact O-N 2.63Å; C188-L197 HydrophobicContact CB-CD2 4.1Å
189K91.2Very high90.6Very high94 Ų9461.1 Ų61.141%0.40934%0.344SS..Hα-helixtrans-65.4-38.9176.7-76-179.5176.6-175.50112.8L185 Q186 R192 P193 L197L185-K189 WeakPolarHBondContact O-CG 3.47Å; L185-K189 PolarHBondContact O-N 3.48Å; Q186-K189 PolarHBondContact O-N 3.36Å; K189-R192 CarbonylContact O-C 3.58Å; K189-R192 VanDerWaalsContact O-C 3.26Å; K189-R192 PolarHBondContact O-N 2.67Å; K189-P193 VanDerWaalsContact O-CA 3.28Å; K189-P193 WeakPolarHBondContact O-CA 3.48Å; K189-P193 VanDerWaalsContact O-N 3.12Å; K189-L197 HydrophobicContact CD-CD2 4.47Å; K189-L197 HydrophobicContact CG-CB 4.37Å; K189-L197 HydrophobicContact CG-CD2 3.82Å
190E91.4Very high90.3Very high150 Ų15064.6 Ų64.670%0.70136%0.359SS*.Hα-helixtrans-63.9-44176.5-73.3170.3-175.700111.4Q186 S187Q186-E190 WeakPolarHBondContact O-CG 3.32Å; Q186-E190 PolarHBondContact O-N 3.44Å; S187-E190 PolarHBondContact O-N 3.25Å
191M91.6Very high89.7Confident92 Ų9270.7 Ų70.745%0.45338%0.382SS..Hα-helixtrans-70-36.6177-70.1-175-74.400112.3A163 S187 C188A163-M191 HydrophobicContact CB-CB 3.9Å; A163-M191 HydrophobicContact CB-CE 3.38Å; A163-M191 HydrophobicContact CB-CG 4.45Å; A163-M191 HydrophobicContact CB-SD 3.72Å; S187-M191 WeakPolarHBondContact O-CE 3.21Å; S187-M191 WeakPolarHBondContact O-CG 3.46Å; S187-M191 PolarHBondContact O-N 3.07Å; C188-M191 PolarHBondContact O-N 3.17Å
192R90.6Very high89.2Confident33 Ų3368.2 Ų68.213%0.12537%0.367CS..  trans-133.477.3-175.3-60.4-139.2-64.9151.8-16.6112.2V162 A163 G166 C188 K189 A194 I195V162-R192 VanDerWaalsContact CG1-NH2 3.32Å; V162-R192 PolarHBondContact O-NE 3.42Å; V162-R192 VanDerWaalsContact O-NE 3.15Å; V162-R192 PolarHBondContact O-NH2 2.94Å; A163-R192 HydrophobicContact CB-CG 4.3Å; G166-R192 PolarHBondContact O-NH1 3.29Å; G166-R192 PolarHBondContact O-NH2 3.07Å; C188-R192 PolarHBondContact O-N 2.63Å; K189-R192 CarbonylContact O-C 3.58Å; K189-R192 VanDerWaalsContact O-C 3.26Å; K189-R192 PolarHBondContact O-N 2.67Å; R192-A194 PolarHBondContact O-N 3.27Å; R192-I195 HydrophobicContact CB-CB 4.41Å; R192-I195 HydrophobicContact CB-CG2 4.19Å; R192-I195 WeakPolarHBondContact O-CG2 2.81Å; R192-I195 PolarHBondContact O-N 2.8Å
193P86.9Confident88.3Confident114 Ų11463.8 Ų63.874%0.7435%0.352SS*.THydrogen-bonded Turntrans-69.1-20.9-175.326.3-35.2000113.9K189 I195K189-P193 VanDerWaalsContact O-CA 3.28Å; K189-P193 WeakPolarHBondContact O-CA 3.48Å; K189-P193 VanDerWaalsContact O-N 3.12Å; P193-I195 VanDerWaalsContact C-N 3.31Å
194A89.4Confident87.5Confident100 Ų10066.3 Ų66.383%0.82636%0.356SS*.THydrogen-bonded Turntrans-77-14.1179.100000113.7R192R192-A194 PolarHBondContact O-N 3.27Å
195I91.9Very high86.6Confident13 Ų1368.2 Ų68.27%0.06736%0.363CS..SBendtrans-81134.4-175.8-153174.7000111.1V162 L169 V172 R192 P193 L197V162-I195 HydrophobicContact CG1-CD1 3.76Å; L169-I195 HydrophobicContact CB-CD1 3.93Å; V172-I195 HydrophobicContact CB-CD1 4.13Å; V172-I195 HydrophobicContact CG2-CD1 3.37Å; V172-I195 HydrophobicContact CG2-CG1 4.22Å; R192-I195 HydrophobicContact CB-CB 4.41Å; R192-I195 HydrophobicContact CB-CG2 4.19Å; R192-I195 WeakPolarHBondContact O-CG2 2.81Å; R192-I195 PolarHBondContact O-N 2.8Å; P193-I195 VanDerWaalsContact C-N 3.31Å; I195-L197 HydrophobicContact CG2-CB 4.25Å; I195-L197 PolarHBondContact O-N 2.63Å; I195-L197 VanDerWaalsContact O-N 3.11Å
196Q93.9Very high85.8Confident139 Ų13974.2 Ų74.265%0.6539%0.394SS*.EExtended strand (participates in β ladder)trans-77.996.1170.2-62.8-174.2-1.100109E170 E171 V172E170-Q196 WeakPolarHBondContact O-CB 2.88Å; E170-Q196 PolarHBondContact O-N 3.37Å; E171-Q196 WeakPolarHBondContact CA-O 3.07Å; V172-Q196 PolarHBondContact N-O 3.2Å
197L92.8Very high84.7Confident21 Ų2172.2 Ų72.211%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-99.5118.2179.3-174.665.2000111.7L159 V172 L185 C188 K189 I195L159-L197 HydrophobicContact CD2-CD1 4.19Å; V172-L197 HydrophobicContact CB-CD1 3.8Å; V172-L197 HydrophobicContact CG1-CD1 3.62Å; V172-L197 WeakPolarHBondContact O-CA 3.41Å; L185-L197 HydrophobicContact CB-CD2 4.26Å; L185-L197 HydrophobicContact CD2-CD1 4.22Å; L185-L197 HydrophobicContact CD2-CD2 3.67Å; L185-L197 HydrophobicContact CD2-CG 4.01Å; C188-L197 HydrophobicContact CB-CD2 4.1Å; K189-L197 HydrophobicContact CD-CD2 4.47Å; K189-L197 HydrophobicContact CG-CB 4.37Å; K189-L197 HydrophobicContact CG-CD2 3.82Å; I195-L197 HydrophobicContact CG2-CB 4.25Å; I195-L197 PolarHBondContact O-N 2.63Å; I195-L197 VanDerWaalsContact O-N 3.11Å
198S91.5Very high83.6Confident37 Ų3772.2 Ų72.226%0.25939%0.386SS..EExtended strand (participates in β ladder)trans-118148.3170.280.10000111.9V172 R173 V174V172-S198 PolarHBondContact O-N 2.8Å; R173-S198 WeakPolarHBondContact CA-O 3.45Å; R173-S198 WeakPolarHBondContact CB-OG 3.45Å; R173-S198 WeakPolarHBondContact CD-OG 3.4Å; R173-S198 WeakPolarHBondContact CG-OG 3.26Å; V174-S198 WeakPolarHBondContact CG2-O 3.46Å; V174-S198 PolarHBondContact N-O 2.98Å
199A85.7Confident82.5Confident26 Ų2675.9 Ų75.922%0.21541%0.412CS..  trans-152.960.9-177.600000110V174 L185 R201 S202V174-A199 HydrophobicContact CG2-CB 3.67Å; L185-A199 HydrophobicContact CD1-CB 3.48Å; L185-A199 VanDerWaalsContact CD1-CB 3.48Å; L185-A199 HydrophobicContact CD2-CB 3.65Å; L185-A199 HydrophobicContact CG-CB 4.23Å; A199-R201 PolarHBondContact O-N 2.88Å; A199-S202 PolarHBondContact O-N 3.39Å
200E81.8Confident81.2Confident108 Ų10878 Ų7851%0.50542%0.421SS..THydrogen-bonded Turntrans-59.5123.1-178.4-71.7-167.6-172.600110.9D175 F176 S202D175-E200 HydrophobicContact CB-CB 4.27Å; D175-E200 PolarHBondContact OD1-N 3.24Å; F176-E200 PolarHBondContact N-O 3.08Å; E200-S202 PolarHBondContact O-N 3.24Å; E200-S202 PolarHBondContact O-OG 3.43Å
201R76.1Confident79.7Confident129 Ų12974 Ų7449%0.48741%0.408SS..THydrogen-bonded Turntrans607178.1-62.8171.6-72.6-81.8-13114.6F176 A199 M205F176-R201 HydrophobicContact CD1-CB 4.37Å; F176-R201 HydrophobicContact CE1-CB 4.45Å; A199-R201 PolarHBondContact O-N 2.88Å; R201-M205 WeakPolarHBondContact O-CE 3.43Å; R201-M205 WeakPolarHBondContact O-CG 3.03Å; R201-M205 VanDerWaalsContact O-SD 3.35Å
202S81.5Confident78.5Confident1 Ų178.4 Ų78.41%0.00743%0.427CS..THydrogen-bonded Turntrans-77.8-51.7-178.2-61.40000113.1V174 F176 C177 A199 E200 D204 M205V174-S202 WeakPolarHBondContact O-CB 3.35Å; V174-S202 PolarHBondContact O-OG 2.82Å; F176-S202 PolarHBondContact N-OG 2.89Å; C177-S202 PolarHBondContact N-OG 3.3Å; C177-S202 WeakPolarHBondContact O-CB 3.44Å; A199-S202 PolarHBondContact O-N 3.39Å; E200-S202 PolarHBondContact O-N 3.24Å; E200-S202 PolarHBondContact O-OG 3.43Å; S202-D204 PolarHBondContact O-N 2.96Å; S202-M205 PolarHBondContact O-N 3.04Å
203A69.9Low76.7Confident25 Ų2584.1 Ų84.121%0.20746%0.456CS..THydrogen-bonded Turntrans-75.4-9.8-168.400000114.9K182 L185K182-A203 HydrophobicContact CB-CB 4.36Å; K182-A203 HydrophobicContact CG-CB 3.41Å; K182-A203 VanDerWaalsContact CG-CB 3.41Å; L185-A203 HydrophobicContact CD1-CB 3.7Å
204D73.8Confident74.9Confident125 Ų12588.3 Ų88.367%0.66846%0.462SS*.THydrogen-bonded Turntrans-109.2-2.1178.3-67.5-57.8000112.7K182 S202K182-D204 WeakPolarHBondContact CE-OD1 3.29Å; K182-D204 IonicContact NZ-OD1 3.27Å; K182-D204 PolarHBondContact NZ-OD1 3.34Å; S202-D204 PolarHBondContact O-N 2.96Å
205M71.4Confident72.8Confident48 Ų4889 Ų8924%0.23645%0.448CS..SBendtrans-79.6149.8176.2-82.8-179.2-48.500111.2F176 R178 R201 S202 P207F176-M205 HydrophobicContact CB-CE 4.35Å; F176-M205 WeakPolarHBondContact O-CE 3.07Å; R178-M205 HydrophobicContact CB-CB 4.1Å; R178-M205 HydrophobicContact CB-CE 4.11Å; R178-M205 HydrophobicContact CG-CB 3.81Å; R178-M205 HydrophobicContact CG-CE 3.35Å; R178-M205 HydrophobicContact CG-CG 4.24Å; R178-M205 HydrophobicContact CG-SD 3.6Å; R201-M205 WeakPolarHBondContact O-CE 3.43Å; R201-M205 WeakPolarHBondContact O-CG 3.03Å; R201-M205 VanDerWaalsContact O-SD 3.35Å; S202-M205 PolarHBondContact O-N 3.04Å; M205-P207 WeakPolarHBondContact O-CD 3.44Å
206I73.3Confident70.7Confident143 Ų14392.2 Ų92.273%0.73347%0.47SS*.PPolyproline II helixtrans-66.6124.3172.8-58.8173.8000107.8
207P69.4Low68.8Low66 Ų6692.3 Ų92.343%0.42947%0.474SS..PPolyproline II helixtrans-60.3143175.5-23.834.2000111.5N179 M205 S209N179-P207 WeakPolarHBondContact OD1-CA 3.34Å; M205-P207 WeakPolarHBondContact O-CD 3.44Å; P207-S209 PolarHBondContact O-N 3.47Å; P207-S209 PolarHBondContact O-OG 2.7Å
208D69.1Low67.1Low51 Ų5194.8 Ų94.827%0.27349%0.494SS..  trans-64.5114.6177.1-82.2-4000108.8V152 R178 N179V152-D208 WeakPolarHBondContact CB-OD2 3.2Å; R178-D208 IonicContact NH1-OD1 3.81Å; R178-D208 PolarHBondContact NH1-OD1 3.27Å; N179-D208 PolarHBondContact OD1-N 2.74Å
209S68.5Low65.2Low78 Ų7898.4 Ų98.455%0.54550%0.504SS..  trans-142.1138.3179.342.50000109P207P207-S209 PolarHBondContact O-N 3.47Å; P207-S209 PolarHBondContact O-OG 2.7Å
210K64.4Low63.5Low140 Ų14099.3 Ų99.361%0.60951%0.512SS*.PPolyproline II helixtrans-63.9126.8173.2-174.8-173.1171.6-164.30105.9E212 E213K210-E212 PolarHBondContact O-N 3.1Å; K210-E212 VanDerWaalsContact O-N 3.1Å; K210-E213 IonicContact NZ-OE1 2.62Å; K210-E213 PolarHBondContact NZ-OE1 2.88Å
211P60.6Low62.1Low66 Ų6699.2 Ų99.243%0.42951%0.514SS..PPolyproline II helixtrans-55.3124.8172.820.5-29.8000107.6W86 E213W86-P211 HydrophobicContact CD2-CG 4.31Å; W86-P211 HydrophobicContact CE3-CG 4.33Å; W86-P211 HydrophobicContact CH2-CG 4.06Å; W86-P211 HydrophobicContact CZ2-CG 4.03Å; W86-P211 HydrophobicContact CZ3-CG 4.2Å; P211-E213 PolarHBondContact O-N 2.9Å; P211-E213 VanDerWaalsContact O-N 3.16Å
212E65.2Low61.1Low183 Ų18399.4 Ų99.486%0.85552%0.521SS*.PPolyproline II helixtrans-52.4126.3174.9-65.9-176.3171.500107.3K210 K214K210-E212 PolarHBondContact O-N 3.1Å; K210-E212 VanDerWaalsContact O-N 3.1Å; E212-K214 PolarHBondContact O-N 3.16Å
213E54.3Low59.6Low154 Ų154106 Ų10672%0.7255%0.55SS*.  trans-53.5112.5169.6-82.5164.7-150.200105.5K210 P211 E215K210-E213 IonicContact NZ-OE1 2.62Å; K210-E213 PolarHBondContact NZ-OE1 2.88Å; P211-E213 PolarHBondContact O-N 2.9Å; P211-E213 VanDerWaalsContact O-N 3.16Å; E213-E215 PolarHBondContact O-N 3.11Å; E213-E215 VanDerWaalsContact O-N 3.14Å
214K48.8Very low58.6Low202 Ų202112.6 Ų112.688%0.87857%0.574SS**  trans-34.4125.1-179-70.2-178.7177.2-179.30108E212E212-K214 PolarHBondContact O-N 3.16Å
215E45.8Very low57.5Low113 Ų113113 Ų11353%0.52858%0.575SS.*  trans-36.1131.6178.2-79.3-160.5125.100109.3E213 L217 K219E213-E215 PolarHBondContact O-N 3.11Å; E213-E215 VanDerWaalsContact O-N 3.14Å; E215-L217 PolarHBondContact O-N 3.14Å; E215-L217 VanDerWaalsContact O-N 3.11Å; E215-K219 WeakPolarHBondContact OE1-CD 3.35Å; E215-K219 IonicContact OE1-NZ 3.67Å
216P48.1Very low56.5Low82 Ų82118 Ų11853%0.53260%0.598SS.*  trans-50.8129.9-178.419.4-30.3000108S218 K219P216-S218 PolarHBondContact O-N 3.36Å; P216-S218 PolarHBondContact O-OG 2.87Å; P216-K219 PolarHBondContact O-N 3.41Å
217L54Low55.3Low140 Ų140121.3 Ų121.373%0.73360%0.603SS**Hα-helixtrans-44.3-20.9-177.9-82.9150.7000113.5E215 K219 A220 L221E215-L217 PolarHBondContact O-N 3.14Å; E215-L217 VanDerWaalsContact O-N 3.11Å; L217-K219 PolarHBondContact O-N 2.73Å; L217-A220 PolarHBondContact O-N 3.27Å; L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 2.99Å
218S55.4Low54.1Low74 Ų74125.6 Ų125.652%0.51764%0.635SS.*Hα-helixtrans-55.7-41.5171.160.40000114.4P216 Q222P216-S218 PolarHBondContact O-N 3.36Å; P216-S218 PolarHBondContact O-OG 2.87Å; S218-Q222 PolarHBondContact O-N 3.49Å; S218-Q222 VanDerWaalsContact O-N 3.14Å
219K52.5Low53.3Low112 Ų112129.4 Ų129.449%0.48765%0.653SS.*Hα-helixtrans-75.5-33178.7-79.9-175.2175.3-179.40113E215 P216 L217 K223E215-K219 WeakPolarHBondContact OE1-CD 3.35Å; E215-K219 IonicContact OE1-NZ 3.67Å; P216-K219 PolarHBondContact O-N 3.41Å; L217-K219 PolarHBondContact O-N 2.73Å; K219-K223 PolarHBondContact O-N 3.16Å
220A49.5Very low52.5Low46 Ų46132.1 Ų132.138%0.3866%0.658SS.*Hα-helixtrans-69.4-39.3175.300000111.8L217 K223 F224L217-A220 PolarHBondContact O-N 3.27Å; A220-K223 PolarHBondContact O-N 3.42Å; A220-F224 PolarHBondContact O-N 3.45Å
221L52.6Low51.9Low105 Ų105131.6 Ų131.655%0.5566%0.661SS.*Hα-helixtrans-68.8-34.1175-74167000112.7L217 K223 F224 L225L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 2.99Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.4Å; L221-F224 PolarHBondContact O-N 3.14Å; L221-F224 VanDerWaalsContact O-N 3.16Å; L221-L225 PolarHBondContact O-N 3.02Å
222Q54.4Low51.4Low133 Ų133135.5 Ų135.562%0.62168%0.675SS**Hα-helixtrans-63.2-35175-120.1175.6-7.800112.7S218 Q226S218-Q222 PolarHBondContact O-N 3.49Å; S218-Q222 VanDerWaalsContact O-N 3.14Å; Q222-Q226 PolarHBondContact O-N 3.4Å
223K50.6Low50.5Low141 Ų141132.5 Ų132.561%0.61366%0.664SS**Hα-helixtrans-71.1-34.2172.4-78.9-178.8177.3173.10112.5K219 A220 L221 Y227K219-K223 PolarHBondContact O-N 3.16Å; A220-K223 PolarHBondContact O-N 3.42Å; L221-K223 VanDerWaalsContact C-N 3.3Å; L221-K223 PolarHBondContact O-N 3.4Å; K223-Y227 WeakPolarHBondContact O-CD2 3.45Å
224F49.4Very low50.2Low162 Ų162131.1 Ų131.171%0.71166%0.66SS**Hα-helixtrans-70.2-34.1176.3-98.5-85.8000113.3A220 L221 Q226 Y227 S228A220-F224 PolarHBondContact O-N 3.45Å; L221-F224 PolarHBondContact O-N 3.14Å; L221-F224 VanDerWaalsContact O-N 3.16Å; F224-Q226 VanDerWaalsContact C-N 3.34Å; F224-Y227 PolarHBondContact O-N 3.32Å; F224-S228 PolarHBondContact O-OG 3.45Å
225L50.9Low50.3Low134 Ų134126 Ų12670%0.70264%0.644SS**Hα-helixtrans-77.9-13178.3-76163.4000114.4L221L221-L225 PolarHBondContact O-N 3.02Å
226Q50.5Low50.7Low154 Ų154127 Ų12772%0.7265%0.653SS**THydrogen-bonded Turntrans-86.3-8.1173.2-78.7-178.1-18.100113.5Q222 F224Q222-Q226 PolarHBondContact O-N 3.4Å; F224-Q226 VanDerWaalsContact C-N 3.34Å
227Y46.9Very low50.9Low211 Ų211130.8 Ų130.883%0.82766%0.663SS**  trans-120.922177.5-69.8-82000112.6K223 F224K223-Y227 WeakPolarHBondContact O-CD2 3.45Å; F224-Y227 PolarHBondContact O-N 3.32Å
228S44.1Very low50.6Low157 Ų157129.9 Ų129.9100%1.09866%0.657SS**  trans-109.60166.9-58.90000110.5F224F224-S228 PolarHBondContact O-OG 3.45Å

Retrieved 228 of 228 residues in 119.7 ms (Link to these results)

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