G4VR11_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VR11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M72.5Confident90.9Very high200 Ų20073.5 Ų73.599%0.98538%0.376SS*.  01420-84.7-170.2-82.300106.1L3M1-L3 PolarHBondContact O-N 3.2Å
2P79.9Confident91.4Very high55 Ų5572.4 Ų72.436%0.35737%0.372SS..PPolyproline II helixtrans-53.8142176-24.334.2000111Y204 M206 Y259 I261P2-Y204 HydrophobicContact CB-CD2 3.89Å; P2-Y204 HydrophobicContact CB-CE2 3.86Å; P2-M206 HydrophobicContact CB-CE 4.45Å; P2-M206 WeakPolarHBondContact O-CE 3.45Å; P2-Y259 CarbonylContact C-O 3.54Å; P2-Y259 WeakPolarHBondContact CA-O 3.13Å; P2-Y259 WeakPolarHBondContact CB-O 3.23Å; P2-I261 HydrophobicContact CB-CG1 4.36Å
3L87.5Confident91.9Very high82 Ų8268.9 Ų68.943%0.42936%0.356SS..PPolyproline II helixtrans-65.2142.1176.4-72.9171.4000109.9M1 Y204 K258 Y259 E260M1-L3 PolarHBondContact O-N 3.2Å; L3-Y204 WeakPolarHBondContact O-CE2 3.43Å; L3-Y204 PolarHBondContact O-OH 3.26Å; L3-K258 WeakPolarHBondContact CD1-O 3.38Å; L3-Y259 PolarHBondContact N-O 3.48Å; L3-E260 HydrophobicContact CD1-CG 4.04Å; L3-E260 HydrophobicContact CG-CG 4.04Å
4S88.4Confident92.3Very high87 Ų8764.1 Ų64.161%0.60833%0.331SS*.PPolyproline II helixtrans-71.9150.7179.362.30000111.7M206S4-M206 VanDerWaalsContact CB-SD 3.54Å
5S89.9Confident92.5Very high15 Ų1566.7 Ų66.711%0.10535%0.345CS..  trans-121.3148.6171.6-169.40000110.2Y204 H307S5-Y204 WeakPolarHBondContact CB-OH 3.4Å; S5-Y204 PolarHBondContact N-OH 3.1Å; S5-Y204 VanDerWaalsContact N-OH 3.12Å; S5-H307 WeakPolarHBondContact CB-NE2 3.44Å; S5-H307 PolarHBondContact OG-NE2 2.92Å
6K94.7Very high92.8Very high108 Ų10871.1 Ų71.147%0.4737%0.369SS..  trans-123.9131.8174.8-178.2175178.1174.40107.7R8 A11 D12 P182K6-R8 PolarHBondContact O-N 3Å; K6-A11 HydrophobicContact CD-CB 4.17Å; K6-A11 HydrophobicContact CG-CB 3.82Å; K6-D12 VanDerWaalsContact CE-OD1 3.26Å; K6-D12 WeakPolarHBondContact CE-OD1 3.23Å; K6-D12 VanDerWaalsContact NZ-CG 3.29Å; K6-D12 IonicContact NZ-OD1 2.86Å; K6-D12 PolarHBondContact NZ-OD1 3.42Å; K6-D12 IonicContact NZ-OD2 3.82Å; K6-D12 PolarHBondContact NZ-OD2 3.23Å; K6-P182 HydrophobicContact CD-CB 4.43Å; K6-P182 HydrophobicContact CG-CB 4.2Å
7A97.3Very high93Very high6 Ų671.8 Ų71.85%0.0537%0.366CS..  trans-48.2136.6173.400000112V9 A11 Y180 D208 Y209A7-V9 VanDerWaalsContact C-N 3.29Å; A7-V9 WeakPolarHBondContact CB-O 3.26Å; A7-V9 PolarHBondContact O-N 3.37Å; A7-A11 HydrophobicContact CB-CB 4.08Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-Y180 HydrophobicContact CB-CD1 4.49Å; A7-Y180 HydrophobicContact CB-CE1 3.76Å; A7-Y180 HydrophobicContact CB-CE2 4.26Å; A7-Y180 PolarHBondContact N-OH 3.22Å; A7-D208 VanDerWaalsContact CA-OD2 3.3Å; A7-D208 WeakPolarHBondContact CA-OD2 3.43Å; A7-D208 HydrophobicContact CB-CB 3.83Å; A7-Y209 HydrophobicContact CB-CD2 3.69Å; A7-Y209 HydrophobicContact CB-CE2 3.65Å
8R97.3Very high93.2Very high123 Ų12372.3 Ų72.346%0.46437%0.374SS..SBendtrans-67.8-28.6178-77.6172.651.2-150.6-12.1113.5K6 A308 R310 E315K6-R8 PolarHBondContact O-N 3Å; R8-A308 WeakPolarHBondContact CD-O 3.46Å; R8-A308 PolarHBondContact NH1-O 2.83Å; R8-R310 PolarHBondContact NH1-O 3.44Å; R8-E315 IonicContact CZ-OE1 2.9Å; R8-E315 IonicContact CZ-OE2 3.89Å; R8-E315 IonicContact NH1-OE2 3.59Å; R8-E315 IonicContact NH2-OE1 3.92Å; R8-E315 PolarHBondContact NH2-OE1 3.14Å; R8-E315 IonicContact NH2-OE2 3Å; R8-E315 PolarHBondContact NH2-OE2 3.28Å
9V97.4Very high93.3Very high49 Ų4976.6 Ų76.630%0.29739%0.385SS..SBendtrans-133.4154.8179.8-66.80000109.5A7 A11 Y209 T312A7-V9 VanDerWaalsContact C-N 3.29Å; A7-V9 WeakPolarHBondContact CB-O 3.26Å; A7-V9 PolarHBondContact O-N 3.37Å; V9-A11 PolarHBondContact O-N 3.13Å; V9-Y209 WeakPolarHBondContact O-CE2 3.45Å; V9-T312 HydrophobicContact CB-CG2 4.43Å; V9-T312 HydrophobicContact CG1-CG2 3.94Å; V9-T312 HydrophobicContact CG2-CG2 3.6Å
10Y97.7Very high93.3Very high74 Ų7479.6 Ų79.629%0.2940%0.398SS..SBendtrans55.224.3175.7-46.1-54.2000114.8D12 V13 D143 H146 Y209Y10-D12 VanDerWaalsContact C-N 3.29Å; Y10-D12 PolarHBondContact O-N 3.25Å; Y10-V13 HydrophobicContact CD1-CG2 4.39Å; Y10-V13 PolarHBondContact O-N 2.98Å; Y10-D143 PolarHBondContact OH-OD1 3.26Å; Y10-H146 VanDerWaalsContact CB-O 3.31Å; Y10-H146 WeakPolarHBondContact CB-O 3.36Å; Y10-H146 HydrophobicContact CD2-CB 3.86Å; Y10-H146 HydrophobicContact CE2-CB 4.19Å; Y10-Y209 PolarHBondContact O-OH 2.89Å
11A97.3Very high93.5Very high10 Ų1077 Ų778%0.08338%0.383CS..THydrogen-bonded Turntrans-67.8-31.5-169.700000113.3K6 A7 V9 Y180 P182K6-A11 HydrophobicContact CD-CB 4.17Å; K6-A11 HydrophobicContact CG-CB 3.82Å; A7-A11 HydrophobicContact CB-CB 4.08Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; V9-A11 PolarHBondContact O-N 3.13Å; A11-Y180 HydrophobicContact CB-CE1 4.37Å; A11-Y180 WeakPolarHBondContact O-CE1 3.37Å; A11-P182 WeakPolarHBondContact O-CD 3.25Å
12D97.1Very high94.6Very high60 Ų6070.8 Ų70.832%0.32135%0.349SS..THydrogen-bonded Turntrans-109.913.9-172.9-54.4-40.2000111.6K6 Y10 N14 L15 N16K6-D12 VanDerWaalsContact CE-OD1 3.26Å; K6-D12 WeakPolarHBondContact CE-OD1 3.23Å; K6-D12 VanDerWaalsContact NZ-CG 3.29Å; K6-D12 IonicContact NZ-OD1 2.86Å; K6-D12 PolarHBondContact NZ-OD1 3.42Å; K6-D12 IonicContact NZ-OD2 3.82Å; K6-D12 PolarHBondContact NZ-OD2 3.23Å; Y10-D12 VanDerWaalsContact C-N 3.29Å; Y10-D12 PolarHBondContact O-N 3.25Å; D12-N14 PolarHBondContact O-N 3.31Å; D12-L15 HydrophobicContact CB-CB 4.46Å; D12-L15 HydrophobicContact CB-CD1 4.19Å; D12-L15 PolarHBondContact O-N 2.93Å; D12-N16 PolarHBondContact O-N 3.14Å; D12-N16 VanDerWaalsContact O-N 3.12Å; D12-N16 PolarHBondContact O-ND2 2.9Å
13V97.6Very high95.4Very high27 Ų2768.9 Ų68.916%0.16434%0.336CS..THydrogen-bonded Turntrans-57.7-53.5-177.9171.40000111Y10 L15 N16 R17Y10-V13 HydrophobicContact CD1-CG2 4.39Å; Y10-V13 PolarHBondContact O-N 2.98Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.22Å; V13-N16 PolarHBondContact O-N 3.08Å; V13-R17 HydrophobicContact CG1-CG 4.28Å; V13-R17 VanDerWaalsContact O-CG 3.22Å; V13-R17 WeakPolarHBondContact O-CG 3.27Å; V13-R17 PolarHBondContact O-N 3.01Å; V13-R17 VanDerWaalsContact O-N 3.13Å
14N97.5Very high95.8Very high2 Ų266 Ų661%0.01132%0.32CS..THydrogen-bonded Turntrans-73.3-19.2-179-68.2-50.8000113.7D12 N16 Y21 W22 G149 Y180 H181D12-N14 PolarHBondContact O-N 3.31Å; N14-N16 VanDerWaalsContact C-N 3.31Å; N14-Y21 WeakPolarHBondContact OD1-CD1 3.16Å; N14-Y21 VanDerWaalsContact OD1-CE1 3.31Å; N14-Y21 WeakPolarHBondContact OD1-CE1 3.34Å; N14-W22 HydrophobicContact CB-CG 4.4Å; N14-W22 PolarHBondContact O-NE1 3.13Å; N14-W22 VanDerWaalsContact O-NE1 3.12Å; N14-G149 PolarHBondContact ND2-O 3.47Å; N14-Y180 PolarHBondContact ND2-N 3.44Å; N14-Y180 PolarHBondContact ND2-O 3.27Å; N14-H181 VanDerWaalsContact CB-CE1 3.44Å; N14-H181 WeakPolarHBondContact CB-CE1 3.41Å
15L95.6Very high95.9Very high103 Ų10367 Ų6754%0.53932%0.315SS..THydrogen-bonded Turntrans-69.5-33.1171.3-65.9-179000111.7D12 V13 P182D12-L15 HydrophobicContact CB-CB 4.46Å; D12-L15 HydrophobicContact CB-CD1 4.19Å; D12-L15 PolarHBondContact O-N 2.93Å; V13-L15 VanDerWaalsContact C-N 3.29Å; V13-L15 PolarHBondContact O-N 3.22Å; L15-P182 HydrophobicContact CD1-CG 3.63Å; L15-P182 HydrophobicContact CG-CG 4.2Å
16N96.8Very high96Very high137 Ų13770 Ų7073%0.73334%0.335SS*.SBendtrans-94.3-2-179.5-64.1-44.5000113.2D12 V13 N14D12-N16 PolarHBondContact O-N 3.14Å; D12-N16 VanDerWaalsContact O-N 3.12Å; D12-N16 PolarHBondContact O-ND2 2.9Å; V13-N16 PolarHBondContact O-N 3.08Å; N14-N16 VanDerWaalsContact C-N 3.31Å
17R96.5Very high95.9Very high83 Ų8366.8 Ų66.831%0.31332%0.321SS..SBendtrans-91.9147174.9-73.5-76.6-173.2-173.70.9110.3V13 Y21V13-R17 HydrophobicContact CG1-CG 4.28Å; V13-R17 VanDerWaalsContact O-CG 3.22Å; V13-R17 WeakPolarHBondContact O-CG 3.27Å; V13-R17 PolarHBondContact O-N 3.01Å; V13-R17 VanDerWaalsContact O-N 3.13Å; R17-Y21 HydrophobicContact CB-CD1 3.85Å; R17-Y21 HydrophobicContact CB-CG 3.92Å; R17-Y21 HydrophobicContact CG-CD1 3.86Å; R17-Y21 HydrophobicContact CG-CE1 4.21Å; R17-Y21 HydrophobicContact CG-CG 4.07Å
18P96.2Very high95.7Very high80 Ų8074.2 Ų74.252%0.51935%0.354SS..  trans-60.2150.4174.329.7-36.8000110.2E20 Y21P18-E20 WeakPolarHBondContact CB-OE2 3.43Å; P18-E20 PolarHBondContact O-N 2.97Å; P18-E20 VanDerWaalsContact O-N 3.15Å; P18-Y21 WeakPolarHBondContact O-CB 3.38Å; P18-Y21 PolarHBondContact O-N 3.43Å
19R94.8Very high95.5Very high155 Ų15569.5 Ų69.559%0.58534%0.339SS*.Hα-helixtrans-58.1-34.2-173.4-177.4172.6171.8167.6-0.1112.1Y21 W22 D23R19-Y21 PolarHBondContact O-N 3Å; R19-W22 HydrophobicContact CB-CZ2 4.32Å; R19-W22 HydrophobicContact CG-CH2 4.07Å; R19-W22 HydrophobicContact CG-CZ2 3.94Å; R19-W22 PolarHBondContact O-N 3.31Å; R19-D23 HydrophobicContact CG-CB 3.63Å; R19-D23 IonicContact CZ-OD2 3.11Å; R19-D23 IonicContact NE-OD2 2.75Å; R19-D23 PolarHBondContact NE-OD2 2.75Å; R19-D23 IonicContact NH2-OD2 3.5Å; R19-D23 PolarHBondContact NH2-OD2 3.28Å; R19-D23 WeakPolarHBondContact O-CB 2.98Å; R19-D23 PolarHBondContact O-N 3.45Å
20E95.1Very high95.3Very high136 Ų13675.6 Ų75.664%0.63636%0.361SS*.Hα-helixtrans-62.5-13.7177.2-57.172.4-155.500113.2P18 K81P18-E20 WeakPolarHBondContact CB-OE2 3.43Å; P18-E20 PolarHBondContact O-N 2.97Å; P18-E20 VanDerWaalsContact O-N 3.15Å; E20-K81 WeakPolarHBondContact O-CE 3.34Å; E20-K81 PolarHBondContact O-NZ 2.91Å
21Y96.9Very high95.3Very high24 Ų2477 Ų779%0.09437%0.367CS..Hα-helixtrans-73.9-45.2176.1-176.5-97.7000112.4N14 R17 P18 R19 K81 N85 M148 F179N14-Y21 WeakPolarHBondContact OD1-CD1 3.16Å; N14-Y21 VanDerWaalsContact OD1-CE1 3.31Å; N14-Y21 WeakPolarHBondContact OD1-CE1 3.34Å; R17-Y21 HydrophobicContact CB-CD1 3.85Å; R17-Y21 HydrophobicContact CB-CG 3.92Å; R17-Y21 HydrophobicContact CG-CD1 3.86Å; R17-Y21 HydrophobicContact CG-CE1 4.21Å; R17-Y21 HydrophobicContact CG-CG 4.07Å; P18-Y21 WeakPolarHBondContact O-CB 3.38Å; P18-Y21 PolarHBondContact O-N 3.43Å; R19-Y21 PolarHBondContact O-N 3Å; Y21-K81 WeakPolarHBondContact O-CE 3.16Å; Y21-N85 HydrophobicContact CE2-CB 4.2Å; Y21-N85 VanDerWaalsContact CE2-ND2 3.28Å; Y21-N85 WeakPolarHBondContact CE2-ND2 3.28Å; Y21-N85 PolarHBondContact O-ND2 3.1Å; Y21-M148 WeakPolarHBondContact CE1-O 3.45Å; Y21-M148 WeakPolarHBondContact OH-CB 3.41Å; Y21-M148 PolarHBondContact OH-O 3.27Å; Y21-F179 HydrophobicContact CD1-CD1 4.35Å; Y21-F179 HydrophobicContact CD1-CE1 4.05Å; Y21-F179 HydrophobicContact CE1-CD1 4.03Å; Y21-F179 AromaticContact CE1-CE1 3.68Å; Y21-F179 HydrophobicContact CE1-CE1 3.68Å; Y21-F179 WeakPolarHBondContact O-CZ 3.39Å
22W96.1Very high95.2Very high71 Ų7178.5 Ų78.527%0.26938%0.382SS..Hα-helixtrans-116.8-19.6-170.356-102.2000113.7N14 R19 Y24 F179 H181N14-W22 HydrophobicContact CB-CG 4.4Å; N14-W22 PolarHBondContact O-NE1 3.13Å; N14-W22 VanDerWaalsContact O-NE1 3.12Å; R19-W22 HydrophobicContact CB-CZ2 4.32Å; R19-W22 HydrophobicContact CG-CH2 4.07Å; R19-W22 HydrophobicContact CG-CZ2 3.94Å; R19-W22 PolarHBondContact O-N 3.31Å; W22-Y24 VanDerWaalsContact C-N 3.32Å; W22-Y24 WeakPolarHBondContact O-CD1 3.42Å; W22-Y24 PolarHBondContact O-N 2.98Å; W22-F179 HydrophobicContact CB-CB 3.97Å; W22-F179 HydrophobicContact CB-CD1 3.78Å; W22-F179 HydrophobicContact CB-CD2 3.96Å; W22-F179 HydrophobicContact CB-CE1 4.25Å; W22-F179 HydrophobicContact CB-CE2 4.41Å; W22-F179 HydrophobicContact CB-CG 3.61Å; W22-H181 AromaticContact CD2-CE1 3.51Å; W22-H181 AromaticContact CD2-NE2 3.79Å; W22-H181 AromaticContact CE2-CE1 3.79Å; W22-H181 AromaticContact CE3-CE1 3.8Å; W22-H181 AromaticContact CE3-NE2 3.76Å; W22-H181 AromaticContact CG-CE1 3.73Å; W22-H181 AromaticContact CG-NE2 3.96Å
23D95.3Very high95Very high15 Ų1579.8 Ų79.88%0.0839%0.389CS..  trans-77.682.9176.9-174.10.3000110.6R19 E25 S26R19-D23 HydrophobicContact CG-CB 3.63Å; R19-D23 IonicContact CZ-OD2 3.11Å; R19-D23 IonicContact NE-OD2 2.75Å; R19-D23 PolarHBondContact NE-OD2 2.75Å; R19-D23 IonicContact NH2-OD2 3.5Å; R19-D23 PolarHBondContact NH2-OD2 3.28Å; R19-D23 WeakPolarHBondContact O-CB 2.98Å; R19-D23 PolarHBondContact O-N 3.45Å; D23-E25 PolarHBondContact O-N 2.89Å; D23-E25 WeakPolarHBondContact OD1-CB 3.42Å; D23-E25 PolarHBondContact OD1-N 3.09Å; D23-S26 VanDerWaalsContact CG-OG 3.22Å; D23-S26 PolarHBondContact O-OG 2.92Å; D23-S26 PolarHBondContact OD1-N 3.01Å; D23-S26 PolarHBondContact OD2-OG 3.4Å; D23-S26 VanDerWaalsContact OD2-OG 3.1Å
24Y95.5Very high94.9Very high22 Ų2281.1 Ų81.19%0.08639%0.394CS..THydrogen-bonded Turntrans-75.7-5.3175.454.1-100.8000113.3W22 K74 K77 R78 E178 F179W22-Y24 VanDerWaalsContact C-N 3.32Å; W22-Y24 WeakPolarHBondContact O-CD1 3.42Å; W22-Y24 PolarHBondContact O-N 2.98Å; Y24-K74 HydrophobicContact CD2-CG 4.23Å; Y24-K74 HydrophobicContact CE2-CD 4.23Å; Y24-K74 HydrophobicContact CE2-CG 3.63Å; Y24-K77 VanDerWaalsContact O-CB 3.23Å; Y24-K77 WeakPolarHBondContact O-CB 3.38Å; Y24-K77 WeakPolarHBondContact O-CD 3.47Å; Y24-R78 HydrophobicContact CD1-CB 3.97Å; Y24-R78 HydrophobicContact CD1-CG 3.8Å; Y24-R78 HydrophobicContact CD2-CB 3.67Å; Y24-R78 HydrophobicContact CD2-CG 4.34Å; Y24-R78 HydrophobicContact CE1-CB 4.06Å; Y24-R78 HydrophobicContact CE1-CG 3.63Å; Y24-R78 HydrophobicContact CE2-CB 3.75Å; Y24-R78 HydrophobicContact CE2-CG 4.17Å; Y24-R78 HydrophobicContact CG-CB 3.77Å; Y24-R78 HydrophobicContact CG-CG 4.15Å; Y24-E178 VanDerWaalsContact CE1-OE1 3.27Å; Y24-E178 WeakPolarHBondContact CE1-OE1 3.37Å; Y24-E178 PolarHBondContact OH-OE1 3.36Å; Y24-F179 AromaticContact CD1-CD2 3.84Å; Y24-F179 HydrophobicContact CD1-CD2 3.84Å; Y24-F179 AromaticContact CD1-CE2 3.89Å; Y24-F179 HydrophobicContact CD1-CE2 3.89Å; Y24-F179 HydrophobicContact CE1-CD2 4.02Å; Y24-F179 HydrophobicContact CE1-CE2 4.49Å
25E92.2Very high94.8Very high108 Ų10886.6 Ų86.651%0.50542%0.423SS..THydrogen-bonded Turntrans-75.7-42.5177.3-65.7-165-173.400111.2D23 Y27 K74 K77D23-E25 PolarHBondContact O-N 2.89Å; D23-E25 WeakPolarHBondContact OD1-CB 3.42Å; D23-E25 PolarHBondContact OD1-N 3.09Å; E25-Y27 VanDerWaalsContact C-N 3.31Å; E25-K74 HydrophobicContact CG-CD 4.39Å; E25-K74 HydrophobicContact CG-CG 4.45Å; E25-K74 WeakPolarHBondContact OE1-CD 3.47Å; E25-K74 WeakPolarHBondContact OE1-CE 3.29Å; E25-K74 IonicContact OE1-NZ 3.73Å; E25-K74 PolarHBondContact OE1-NZ 2.72Å; E25-K77 PolarHBondContact O-NZ 2.79Å
26S90.7Very high94.8Very high76 Ų7684.2 Ų84.253%0.53141%0.411SS..THydrogen-bonded Turntrans-77.2-14.6174.657.80000113.4D23 E28D23-S26 VanDerWaalsContact CG-OG 3.22Å; D23-S26 PolarHBondContact O-OG 2.92Å; D23-S26 PolarHBondContact OD1-N 3.01Å; D23-S26 PolarHBondContact OD2-OG 3.4Å; D23-S26 VanDerWaalsContact OD2-OG 3.1Å; S26-E28 PolarHBondContact O-N 3.13Å
27Y92.3Very high94.9Very high42 Ų4279.3 Ų79.317%0.16538%0.382CS..  trans-61.8131.3-179-176.3-120.1000113.5E25 V29 K77 I80 K81 E84E25-Y27 VanDerWaalsContact C-N 3.31Å; Y27-V29 HydrophobicContact CD1-CG2 4.16Å; Y27-V29 HydrophobicContact CE1-CG2 4.02Å; Y27-K77 WeakPolarHBondContact O-CD 3.46Å; Y27-K77 VanDerWaalsContact O-CE 3.22Å; Y27-K77 WeakPolarHBondContact O-CE 3.38Å; Y27-K77 PolarHBondContact O-NZ 2.9Å; Y27-I80 HydrophobicContact CE1-CG2 3.94Å; Y27-K81 HydrophobicContact CD1-CB 4.35Å; Y27-K81 HydrophobicContact CD1-CD 4.41Å; Y27-K81 HydrophobicContact CD2-CD 4.25Å; Y27-K81 HydrophobicContact CG-CD 4.22Å; Y27-E84 WeakPolarHBondContact CE1-OE2 3.36Å; Y27-E84 PolarHBondContact OH-OE1 3.03Å; Y27-E84 PolarHBondContact OH-OE2 3.38Å
28E93.3Very high94.9Very high162 Ų16280.9 Ų80.976%0.75739%0.393SS*.  trans-100.8114.5172.4-66.5-168.7165.300110.3S26 K30S26-E28 PolarHBondContact O-N 3.13Å; E28-K30 PolarHBondContact O-N 3.11Å
29V93.9Very high94.9Very high23 Ų2381.3 Ų81.314%0.13939%0.39CS..  trans-70.2125.4-179.2179.50000109.8Y27 W31 K77 I80 V98Y27-V29 HydrophobicContact CD1-CG2 4.16Å; Y27-V29 HydrophobicContact CE1-CG2 4.02Å; V29-W31 HydrophobicContact CB-CD2 4.47Å; V29-W31 HydrophobicContact CB-CH2 4.44Å; V29-W31 HydrophobicContact CB-CZ2 3.78Å; V29-W31 HydrophobicContact CG1-CD2 3.76Å; V29-W31 HydrophobicContact CG1-CE3 3.97Å; V29-W31 HydrophobicContact CG1-CG 4.38Å; V29-W31 HydrophobicContact CG1-CH2 3.89Å; V29-W31 HydrophobicContact CG1-CZ2 3.62Å; V29-W31 HydrophobicContact CG1-CZ3 4.06Å; V29-W31 HydrophobicContact CG2-CZ2 4.27Å; V29-W31 VanDerWaalsContact O-CD1 3.31Å; V29-W31 PolarHBondContact O-NE1 2.79Å; V29-K77 HydrophobicContact CG2-CG 4.35Å; V29-I80 HydrophobicContact CG1-CD1 3.87Å; V29-I80 HydrophobicContact CG2-CD1 3.77Å; V29-V98 HydrophobicContact CG1-CB 4.48Å; V29-V98 HydrophobicContact CG1-CG1 3.86Å
30K94Very high95Very high177 Ų17778.2 Ų78.277%0.7739%0.388SS*.  trans-83.4111.1168.2-64.8-178.6-178.3178.40109.2E28E28-K30 PolarHBondContact O-N 3.11Å
31W95.9Very high95.1Very high105 Ų10577.9 Ų77.940%0.39838%0.381SS..  trans-87.7129.1179.9-55.495.9000110V29 I80 V98 V99 K100 P107V29-W31 HydrophobicContact CB-CD2 4.47Å; V29-W31 HydrophobicContact CB-CH2 4.44Å; V29-W31 HydrophobicContact CB-CZ2 3.78Å; V29-W31 HydrophobicContact CG1-CD2 3.76Å; V29-W31 HydrophobicContact CG1-CE3 3.97Å; V29-W31 HydrophobicContact CG1-CG 4.38Å; V29-W31 HydrophobicContact CG1-CH2 3.89Å; V29-W31 HydrophobicContact CG1-CZ2 3.62Å; V29-W31 HydrophobicContact CG1-CZ3 4.06Å; V29-W31 HydrophobicContact CG2-CZ2 4.27Å; V29-W31 VanDerWaalsContact O-CD1 3.31Å; V29-W31 PolarHBondContact O-NE1 2.79Å; W31-I80 HydrophobicContact CH2-CD1 4.49Å; W31-V98 CarbonylContact C-O 3.56Å; W31-V98 WeakPolarHBondContact CA-O 3.14Å; W31-V98 HydrophobicContact CE3-CG1 3.61Å; W31-V98 HydrophobicContact CH2-CG1 4.25Å; W31-V98 HydrophobicContact CZ3-CG1 3.4Å; W31-V99 WeakPolarHBondContact CZ3-O 3.48Å; W31-K100 HydrophobicContact CD2-CB 3.81Å; W31-K100 HydrophobicContact CD2-CD 4.1Å; W31-K100 HydrophobicContact CE3-CB 3.43Å; W31-K100 VanDerWaalsContact CE3-CB 3.43Å; W31-K100 HydrophobicContact CE3-CD 4.29Å; W31-K100 HydrophobicContact CE3-CG 4.42Å; W31-K100 HydrophobicContact CG-CB 4.39Å; W31-K100 HydrophobicContact CH2-CB 4.46Å; W31-K100 HydrophobicContact CH2-CD 4.21Å; W31-K100 HydrophobicContact CZ2-CD 4.03Å; W31-K100 HydrophobicContact CZ3-CB 3.78Å; W31-K100 HydrophobicContact CZ3-CD 4.32Å; W31-K100 HydrophobicContact CZ3-CG 4.43Å; W31-P107 HydrophobicContact CH2-CB 3.67Å; W31-P107 HydrophobicContact CZ3-CB 3.64Å
32G95.7Very high95.1Very high40 Ų4081.9 Ų81.941%0.41240%0.399SS..BIsolated β-bridgetrans-80.8177.5165.600000111.8V98G32-V98 PolarHBondContact N-O 3.27Å
33D94.2Very high95Very high87 Ų8782 Ų8247%0.46540%0.404SS..  trans-79.7131.7177.6-157.2-25000110.6D35 V99D33-D35 VanDerWaalsContact C-N 3.33Å; D33-D35 PolarHBondContact OD1-N 3.33Å; D33-V99 VanDerWaalsContact O-CG1 3.31Å; D33-V99 WeakPolarHBondContact O-CG1 3.48Å
34Q94.3Very high94.8Very high56 Ų5682.6 Ų82.626%0.26241%0.414SS..SBendtrans-75-29.5176.3-178.6177.7-74.400111.1D36 Y37 V99 D101Q34-D36 PolarHBondContact O-N 3.46Å; Q34-D36 VanDerWaalsContact O-N 3.17Å; Q34-Y37 PolarHBondContact O-N 3.46Å; Q34-V99 HydrophobicContact CB-CB 4.21Å; Q34-V99 HydrophobicContact CB-CG2 4.36Å; Q34-V99 HydrophobicContact CG-CG2 4.37Å; Q34-D101 PolarHBondContact NE2-OD1 3.25Å; Q34-D101 VanDerWaalsContact OE1-CB 3.24Å
35D95.2Very high94.6Very high117 Ų11790.3 Ų90.363%0.62644%0.443SS*.THydrogen-bonded Turntrans-67.2-16.9-175.8-68.2-15000111.9D33 Y37 I57D33-D35 VanDerWaalsContact C-N 3.33Å; D33-D35 PolarHBondContact OD1-N 3.33Å; D35-Y37 PolarHBondContact O-N 2.89Å; D35-I57 WeakPolarHBondContact O-CD1 3.32Å
36D96.7Very high94.3Very high53 Ų5386.8 Ų86.828%0.28344%0.436SS..THydrogen-bonded Turntrans-64.6-14.7169.8-68.5-16.9000113.2Q34 N56 I57 T58Q34-D36 PolarHBondContact O-N 3.46Å; Q34-D36 VanDerWaalsContact O-N 3.17Å; D36-N56 CarbonylContact O-C 3.51Å; D36-N56 VanDerWaalsContact O-CA 3.31Å; D36-N56 WeakPolarHBondContact O-CA 3.37Å; D36-N56 PolarHBondContact O-OD1 2.97Å; D36-I57 WeakPolarHBondContact O-CG1 3.43Å; D36-I57 PolarHBondContact O-N 2.89Å; D36-T58 HydrophobicContact CB-CG2 3.98Å; D36-T58 VanDerWaalsContact OD1-CG2 3.25Å; D36-T58 WeakPolarHBondContact OD1-CG2 3.45Å
37Y97.6Very high94Very high34 Ų3490.8 Ų90.813%0.13344%0.444CS..EExtended strand (participates in β ladder)trans-126.4123.6-171.5-56.1-76000113.2Q34 D35 L55 N56 A97 V99 I110Q34-Y37 PolarHBondContact O-N 3.46Å; D35-Y37 PolarHBondContact O-N 2.89Å; Y37-L55 WeakPolarHBondContact CA-O 3.41Å; Y37-N56 HydrophobicContact CD1-CB 4Å; Y37-N56 HydrophobicContact CE1-CB 3.81Å; Y37-A97 HydrophobicContact CE2-CB 4.23Å; Y37-A97 WeakPolarHBondContact OH-CB 3.5Å; Y37-V99 HydrophobicContact CD2-CG1 3.83Å; Y37-V99 HydrophobicContact CE2-CG1 3.6Å; Y37-I110 HydrophobicContact CD1-CD1 4.26Å; Y37-I110 HydrophobicContact CD1-CG1 4.33Å; Y37-I110 HydrophobicContact CD1-CG2 3.91Å; Y37-I110 HydrophobicContact CD2-CD1 4.05Å; Y37-I110 HydrophobicContact CD2-CG1 4.06Å; Y37-I110 HydrophobicContact CE1-CB 4.33Å; Y37-I110 HydrophobicContact CE1-CG1 4.16Å; Y37-I110 HydrophobicContact CE1-CG2 3.51Å; Y37-I110 HydrophobicContact CE2-CD1 4.36Å; Y37-I110 HydrophobicContact CE2-CG1 3.85Å; Y37-I110 HydrophobicContact CG-CD1 3.98Å; Y37-I110 HydrophobicContact CG-CG1 4.28Å
38Q96.8Very high93.8Very high116 Ų11693 Ų9354%0.54245%0.453SS..EExtended strand (participates in β ladder)trans-106.4128.4176-172.1178.11100111G54 L55 I57Q38-G54 CarbonylContact O-C 3.47Å; Q38-G54 WeakPolarHBondContact O-CA 3.35Å; Q38-L55 PolarHBondContact N-O 2.93Å; Q38-L55 PolarHBondContact O-N 2.89Å; Q38-I57 HydrophobicContact CB-CG2 4.03Å
39I96.8Very high93.8Very high88 Ų8885.8 Ų85.845%0.45142%0.42SS..EExtended strand (participates in β ladder)trans-71.8128.2171.4-69.7173.1000109.6F52 I65I39-F52 HydrophobicContact CD1-CD1 4.38Å; I39-F52 HydrophobicContact CD1-CD2 4.26Å; I39-F52 HydrophobicContact CD1-CG 4.19Å; I39-F52 HydrophobicContact CG1-CB 4.3Å; I39-F52 HydrophobicContact CG1-CG 4.37Å; I39-F52 HydrophobicContact CG2-CB 4.02Å; I39-F52 HydrophobicContact CG2-CD1 3.73Å; I39-F52 HydrophobicContact CG2-CG 4.07Å; I39-I65 HydrophobicContact CG1-CD1 3.84Å
40V97Very high93.9Very high90 Ų9087.2 Ų87.255%0.54543%0.425SS..EExtended strand (participates in β ladder)trans-96.8-55.3175.6177.50000110.5E53 L55V40-E53 WeakPolarHBondContact CB-O 3.14Å; V40-E53 PolarHBondContact N-O 3.15Å; V40-L55 HydrophobicContact CG2-CB 4.37Å
41R97Very high94.1Very high130 Ų13080.7 Ų80.749%0.49140%0.4SS..EExtended strand (participates in β ladder)trans-155.4159.8179.664.1174.7177.5103.89.4112.5L43 F52 E53R41-L43 VanDerWaalsContact CZ-CD2 3.46Å; R41-F52 CarbonylContact O-C 3.42Å; R41-F52 VanDerWaalsContact O-CA 3.23Å; R41-F52 WeakPolarHBondContact O-CA 3.27Å; R41-F52 WeakPolarHBondContact O-CB 3.31Å; R41-E53 HydrophobicContact CG-CB 4.01Å; R41-E53 IonicContact CZ-OE2 3.72Å; R41-E53 PolarHBondContact N-O 3.28Å; R41-E53 IonicContact NE-OE2 2.77Å; R41-E53 PolarHBondContact NE-OE2 3.35Å; R41-E53 IonicContact NH2-OE2 3.76Å; R41-E53 PolarHBondContact NH2-OE2 2.79Å; R41-E53 PolarHBondContact O-N 2.87Å
42K96.9Very high94.2Very high108 Ų10877.2 Ų77.247%0.4739%0.387SS..EExtended strand (participates in β ladder)trans-76.6130.1173.9-167.1171.8-168.7162.50110.9E50 F52K42-E50 WeakPolarHBondContact CE-OE1 3.43Å; K42-E50 IonicContact NZ-OE1 2.63Å; K42-E50 PolarHBondContact NZ-OE1 2.86Å; K42-F52 HydrophobicContact CB-CD1 3.94Å; K42-F52 HydrophobicContact CB-CE1 3.98Å; K42-F52 HydrophobicContact CD-CE1 4.28Å; K42-F52 HydrophobicContact CG-CD1 4.14Å; K42-F52 HydrophobicContact CG-CE1 3.91Å
43L93.4Very high94.3Very high73 Ų7375.9 Ų75.938%0.38237%0.37SS..EExtended strand (participates in β ladder)trans-96.7-37.2173.9-65.7177.7000111.8R41 V51 E53 V64R41-L43 VanDerWaalsContact CZ-CD2 3.46Å; L43-V51 HydrophobicContact CB-CG1 4.28Å; L43-V51 HydrophobicContact CD1-CG1 4.29Å; L43-V51 PolarHBondContact N-O 2.82Å; L43-E53 HydrophobicContact CD1-CB 4.06Å; L43-E53 HydrophobicContact CD2-CB 4.09Å; L43-E53 HydrophobicContact CG-CB 4.07Å; L43-V64 HydrophobicContact CD1-CG1 4.4Å; L43-V64 HydrophobicContact CD1-CG2 4.18Å
44G91.6Very high94.4Very high28 Ų2871.8 Ų71.829%0.28935%0.349SS..EExtended strand (participates in β ladder)trans-174.1172.4-176.700000114.6V51G44-V51 PolarHBondContact N-O 3.2Å; G44-V51 VanDerWaalsContact N-O 3.08Å; G44-V51 PolarHBondContact O-N 3.22Å
45R91.3Very high94.6Very high183 Ų18370.9 Ų70.969%0.69135%0.346SS*.EExtended strand (participates in β ladder)trans-132.7116.5176.4-175178.4-167.5-154.6-0.7109.1E50R45-E50 HydrophobicContact CG-CG 4.26Å; R45-E50 IonicContact NE-OE1 3.82Å
46G85Confident94.7Very high34 Ų3466 Ų6635%0.35132%0.32SS..  trans-96.5178.4174.100000112.3Y48 S49 K69G46-Y48 VanDerWaalsContact C-N 3.34Å; G46-S49 WeakPolarHBondContact CA-O 3.33Å; G46-S49 PolarHBondContact N-O 3.29Å; G46-K69 PolarHBondContact O-NZ 3.24Å
47K85.1Confident94.7Very high160 Ų16068 Ų6870%0.69633%0.329SS*.SBendtrans-62.2-42.9172.3-176.1173.7176.4-175.20111.3K69K47-K69 WeakPolarHBondContact O-CD 3.49Å; K47-K69 PolarHBondContact O-NZ 3.05Å
48Y88.1Confident94.7Very high90 Ų9070.6 Ų70.635%0.35335%0.349SS..SBendtrans-108.2-4.9-171.4-52.5-65.6000114.8G46 K69 V71 L176G46-Y48 VanDerWaalsContact C-N 3.34Å; Y48-K69 WeakPolarHBondContact O-CB 3.34Å; Y48-K69 PolarHBondContact O-N 2.99Å; Y48-V71 HydrophobicContact CD1-CG1 4.15Å; Y48-L176 HydrophobicContact CE2-CD2 4.34Å
49S93.7Very high94.6Very high9 Ų968.7 Ų68.76%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-154.7167.6-176.959.90000112.6G46 K66 V67G46-S49 WeakPolarHBondContact CA-O 3.33Å; G46-S49 PolarHBondContact N-O 3.29Å; S49-K66 VanDerWaalsContact OG-CE 3.31Å; S49-K66 WeakPolarHBondContact OG-CE 3.3Å; S49-V67 CarbonylContact C-O 3.52Å; S49-V67 WeakPolarHBondContact CA-O 3.32Å; S49-V67 WeakPolarHBondContact CB-O 3.45Å
50E96.3Very high94.5Very high54 Ų5470.3 Ų70.325%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-117140.7163.2-57.3-16293.100108.5K42 R45 F52 K66 V67K42-E50 WeakPolarHBondContact CE-OE1 3.43Å; K42-E50 IonicContact NZ-OE1 2.63Å; K42-E50 PolarHBondContact NZ-OE1 2.86Å; R45-E50 HydrophobicContact CG-CG 4.26Å; R45-E50 IonicContact NE-OE1 3.82Å; E50-F52 HydrophobicContact CB-CE2 3.6Å; E50-F52 HydrophobicContact CB-CZ 3.87Å; E50-K66 CarbonylContact O-C 3.56Å; E50-K66 WeakPolarHBondContact O-CA 3.37Å; E50-V67 PolarHBondContact N-O 3.18Å; E50-V67 PolarHBondContact O-N 3.5Å
51V97.1Very high94.5Very high39 Ų3971.4 Ų71.424%0.23635%0.351CS..EExtended strand (participates in β ladder)trans-120.9132.2-172.2-172.50000109L43 G44 V64 I65 K66L43-V51 HydrophobicContact CB-CG1 4.28Å; L43-V51 HydrophobicContact CD1-CG1 4.29Å; L43-V51 PolarHBondContact N-O 2.82Å; G44-V51 PolarHBondContact N-O 3.2Å; G44-V51 VanDerWaalsContact N-O 3.08Å; G44-V51 PolarHBondContact O-N 3.22Å; V51-V64 HydrophobicContact CG1-CG1 3.45Å; V51-V64 VanDerWaalsContact CG1-CG1 3.45Å; V51-I65 WeakPolarHBondContact CA-O 3.43Å; V51-K66 HydrophobicContact CG2-CG 4.31Å
52F97.8Very high94.5Very high32 Ų3270.9 Ų70.914%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-130.1148.7-176.6-54.7-93.7000110.4I39 R41 K42 E50 V64 I65 V67I39-F52 HydrophobicContact CD1-CD1 4.38Å; I39-F52 HydrophobicContact CD1-CD2 4.26Å; I39-F52 HydrophobicContact CD1-CG 4.19Å; I39-F52 HydrophobicContact CG1-CB 4.3Å; I39-F52 HydrophobicContact CG1-CG 4.37Å; I39-F52 HydrophobicContact CG2-CB 4.02Å; I39-F52 HydrophobicContact CG2-CD1 3.73Å; I39-F52 HydrophobicContact CG2-CG 4.07Å; R41-F52 CarbonylContact O-C 3.42Å; R41-F52 VanDerWaalsContact O-CA 3.23Å; R41-F52 WeakPolarHBondContact O-CA 3.27Å; R41-F52 WeakPolarHBondContact O-CB 3.31Å; K42-F52 HydrophobicContact CB-CD1 3.94Å; K42-F52 HydrophobicContact CB-CE1 3.98Å; K42-F52 HydrophobicContact CD-CE1 4.28Å; K42-F52 HydrophobicContact CG-CD1 4.14Å; K42-F52 HydrophobicContact CG-CE1 3.91Å; E50-F52 HydrophobicContact CB-CE2 3.6Å; E50-F52 HydrophobicContact CB-CZ 3.87Å; F52-V64 CarbonylContact O-C 3.59Å; F52-V64 WeakPolarHBondContact O-CA 3.45Å; F52-I65 HydrophobicContact CB-CB 4.36Å; F52-I65 PolarHBondContact N-O 3.4Å; F52-I65 PolarHBondContact O-N 2.84Å; F52-V67 HydrophobicContact CD2-CG2 3.89Å; F52-V67 HydrophobicContact CE2-CB 4.17Å; F52-V67 HydrophobicContact CE2-CG2 3.69Å
53E97.7Very high94.6Very high12 Ų1265.8 Ų65.86%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-79.3134.8160-175.9177.1-169.600106.5V40 R41 L43 K62 H113V40-E53 WeakPolarHBondContact CB-O 3.14Å; V40-E53 PolarHBondContact N-O 3.15Å; R41-E53 HydrophobicContact CG-CB 4.01Å; R41-E53 IonicContact CZ-OE2 3.72Å; R41-E53 PolarHBondContact N-O 3.28Å; R41-E53 IonicContact NE-OE2 2.77Å; R41-E53 PolarHBondContact NE-OE2 3.35Å; R41-E53 IonicContact NH2-OE2 3.76Å; R41-E53 PolarHBondContact NH2-OE2 2.79Å; R41-E53 PolarHBondContact O-N 2.87Å; L43-E53 HydrophobicContact CD1-CB 4.06Å; L43-E53 HydrophobicContact CD2-CB 4.09Å; L43-E53 HydrophobicContact CG-CB 4.07Å; E53-K62 WeakPolarHBondContact OE1-CE 3.38Å; E53-K62 IonicContact OE1-NZ 3.42Å; E53-K62 PolarHBondContact OE1-NZ 3.18Å; E53-H113 IonicContact OE1-NE2 3.78Å
54G97.9Very high94.8Very high1 Ų163.6 Ų63.61%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-133.6175.8178.400000112.3Q38 K62 C63Q38-G54 CarbonylContact O-C 3.47Å; Q38-G54 WeakPolarHBondContact O-CA 3.35Å; G54-K62 WeakPolarHBondContact O-CA 3.17Å; G54-C63 PolarHBondContact N-O 3.13Å; G54-C63 PolarHBondContact O-N 3.3Å
55L97.9Very high95.1Very high38 Ų3862.7 Ų62.720%0.19931%0.308CS..EExtended strand (participates in β ladder)trans-125.5130.2172.4-174.674.7000107.9Y37 Q38 V40 I57Y37-L55 WeakPolarHBondContact CA-O 3.41Å; Q38-L55 PolarHBondContact N-O 2.93Å; Q38-L55 PolarHBondContact O-N 2.89Å; V40-L55 HydrophobicContact CG2-CB 4.37Å; L55-I57 HydrophobicContact CD2-CG2 4.48Å; L55-I57 PolarHBondContact O-N 3.24Å
56N97.8Very high95.4Very high15 Ų1554.7 Ų54.78%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-77.6111.4163.5178.9-13.2000108D36 Y37 T58 N59 N60 E61D36-N56 CarbonylContact O-C 3.51Å; D36-N56 VanDerWaalsContact O-CA 3.31Å; D36-N56 WeakPolarHBondContact O-CA 3.37Å; D36-N56 PolarHBondContact O-OD1 2.97Å; Y37-N56 HydrophobicContact CD1-CB 4Å; Y37-N56 HydrophobicContact CE1-CB 3.81Å; N56-T58 VanDerWaalsContact C-N 3.26Å; N56-T58 PolarHBondContact O-N 3Å; N56-T58 WeakPolarHBondContact OD1-CB 3.43Å; N56-T58 PolarHBondContact OD1-N 3.48Å; N56-T58 PolarHBondContact OD1-OG1 3.5Å; N56-N59 VanDerWaalsContact CB-OD1 3.23Å; N56-N59 WeakPolarHBondContact CB-OD1 3.3Å; N56-N59 PolarHBondContact ND2-OD1 3.26Å; N56-N59 PolarHBondContact O-OD1 3.42Å; N56-N60 WeakPolarHBondContact O-CA 3.44Å; N56-N60 PolarHBondContact O-N 2.69Å; N56-E61 PolarHBondContact N-O 3.09Å; N56-E61 PolarHBondContact O-N 2.93Å
57I96.5Very high96Very high93 Ų9354.9 Ų54.948%0.47727%0.273SS..THydrogen-bonded Turntrans-75.9-16.2-173.764.1168.9000112.8D35 D36 Q38 L55D35-I57 WeakPolarHBondContact O-CD1 3.32Å; D36-I57 WeakPolarHBondContact O-CG1 3.43Å; D36-I57 PolarHBondContact O-N 2.89Å; Q38-I57 HydrophobicContact CB-CG2 4.03Å; L55-I57 HydrophobicContact CD2-CG2 4.48Å; L55-I57 PolarHBondContact O-N 3.24Å
58T96.1Very high96.5Very high90 Ų9047.5 Ų47.555%0.55224%0.241SC*.THydrogen-bonded Turntrans-74.2-29.6179.268.90000112.5D36 N56D36-T58 HydrophobicContact CB-CG2 3.98Å; D36-T58 VanDerWaalsContact OD1-CG2 3.25Å; D36-T58 WeakPolarHBondContact OD1-CG2 3.45Å; N56-T58 VanDerWaalsContact C-N 3.26Å; N56-T58 PolarHBondContact O-N 3Å; N56-T58 WeakPolarHBondContact OD1-CB 3.43Å; N56-T58 PolarHBondContact OD1-N 3.48Å; N56-T58 PolarHBondContact OD1-OG1 3.5Å
59N95.9Very high96.7Very high75 Ų7545.9 Ų45.940%0.40124%0.236SC..THydrogen-bonded Turntrans-128.8-0.3-178.169.90.5000114N56 E61N56-N59 VanDerWaalsContact CB-OD1 3.23Å; N56-N59 WeakPolarHBondContact CB-OD1 3.3Å; N56-N59 PolarHBondContact ND2-OD1 3.26Å; N56-N59 PolarHBondContact O-OD1 3.42Å; N59-E61 HydrophobicContact CB-CG 4.45Å; N59-E61 PolarHBondContact ND2-OE2 3.27Å; N59-E61 PolarHBondContact O-N 3.06Å; N59-E61 WeakPolarHBondContact OD1-CB 3.41Å; N59-E61 PolarHBondContact OD1-N 3.21Å
60N94.9Very high96.6Very high123 Ų12352 Ų5266%0.65828%0.275SS*.THydrogen-bonded Turntrans59.828.6-179.2-161.952.8000114N56N56-N60 WeakPolarHBondContact O-CA 3.44Å; N56-N60 PolarHBondContact O-N 2.69Å
61E97Very high96.2Very high113 Ų11351.7 Ų51.753%0.52828%0.277SS..EExtended strand (participates in β ladder)trans-96.3142.8177.4-65.5-177.3154.500112N56 N59N56-E61 PolarHBondContact N-O 3.09Å; N56-E61 PolarHBondContact O-N 2.93Å; N59-E61 HydrophobicContact CB-CG 4.45Å; N59-E61 PolarHBondContact ND2-OE2 3.27Å; N59-E61 PolarHBondContact O-N 3.06Å; N59-E61 WeakPolarHBondContact OD1-CB 3.41Å; N59-E61 PolarHBondContact OD1-N 3.21Å
62K97.5Very high96Very high119 Ų11957.7 Ų57.752%0.51730%0.3SS..EExtended strand (participates in β ladder)trans-70.2140.4174.9-70.3-173.5171.3-152.50110.9E53 G54 H113E53-K62 WeakPolarHBondContact OE1-CE 3.38Å; E53-K62 IonicContact OE1-NZ 3.42Å; E53-K62 PolarHBondContact OE1-NZ 3.18Å; G54-K62 WeakPolarHBondContact O-CA 3.17Å; K62-H113 HydrophobicContact CB-CB 3.75Å; K62-H113 WeakPolarHBondContact O-CB 3.16Å
63C98.1Very high95.7Very high0 Ų064.5 Ų64.50%033%0.329CS..EExtended strand (participates in β ladder)trans-136.9171.6174.968.10000111.8G54 I110 F111G54-C63 PolarHBondContact N-O 3.13Å; G54-C63 PolarHBondContact O-N 3.3Å; C63-I110 HydrophobicContact CB-CG2 3.84Å; C63-F111 WeakPolarHBondContact CA-O 3.43Å; C63-F111 WeakPolarHBondContact CB-O 3.41Å
64V98.2Very high95.5Very high27 Ų2768.9 Ų68.916%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-113.5123.7170.6173.50000109.3L43 V51 F52 F111L43-V64 HydrophobicContact CD1-CG1 4.4Å; L43-V64 HydrophobicContact CD1-CG2 4.18Å; V51-V64 HydrophobicContact CG1-CG1 3.45Å; V51-V64 VanDerWaalsContact CG1-CG1 3.45Å; F52-V64 CarbonylContact O-C 3.59Å; F52-V64 WeakPolarHBondContact O-CA 3.45Å; V64-F111 HydrophobicContact CB-CB 4.33Å; V64-F111 PolarHBondContact N-O 3.3Å; V64-F111 PolarHBondContact O-N 3.25Å
65I98.1Very high95.3Very high10 Ų1072.9 Ų72.95%0.05137%0.365CS..EExtended strand (participates in β ladder)trans-103.4110.2-178.3-52.5175000108.5I39 V51 F52 V67 A108 I110I39-I65 HydrophobicContact CG1-CD1 3.84Å; V51-I65 WeakPolarHBondContact CA-O 3.43Å; F52-I65 HydrophobicContact CB-CB 4.36Å; F52-I65 PolarHBondContact N-O 3.4Å; F52-I65 PolarHBondContact O-N 2.84Å; I65-V67 HydrophobicContact CG2-CG2 4.01Å; I65-A108 HydrophobicContact CG2-CB 4.07Å; I65-I110 HydrophobicContact CB-CD1 4.32Å; I65-I110 HydrophobicContact CG1-CD1 3.95Å; I65-I110 HydrophobicContact CG2-CD1 3.97Å
66K97.7Very high95.2Very high15 Ų1572.1 Ų72.17%0.06536%0.361CS..EExtended strand (participates in β ladder)trans-97.896.2173.9-175.7-176.1-176.1-179.90109.3S49 E50 V51 L68 E79 A108 L109 F111 D173S49-K66 VanDerWaalsContact OG-CE 3.31Å; S49-K66 WeakPolarHBondContact OG-CE 3.3Å; E50-K66 CarbonylContact O-C 3.56Å; E50-K66 WeakPolarHBondContact O-CA 3.37Å; V51-K66 HydrophobicContact CG2-CG 4.31Å; K66-L68 HydrophobicContact CD-CD2 4.19Å; K66-L68 HydrophobicContact CG-CD2 4.1Å; K66-L68 PolarHBondContact O-N 3.49Å; K66-E79 IonicContact NZ-OE1 3.85Å; K66-E79 PolarHBondContact NZ-OE1 2.91Å; K66-A108 VanDerWaalsContact O-CA 3.29Å; K66-A108 WeakPolarHBondContact O-CA 3.25Å; K66-L109 HydrophobicContact CB-CB 4.36Å; K66-L109 PolarHBondContact N-O 3.23Å; K66-L109 PolarHBondContact O-N 3.32Å; K66-F111 HydrophobicContact CB-CD2 4.32Å; K66-F111 HydrophobicContact CB-CE2 3.82Å; K66-F111 HydrophobicContact CD-CE2 4.02Å; K66-D173 IonicContact NZ-OD1 3.99Å; K66-D173 PolarHBondContact NZ-OD1 3.08Å
67V97Very high95.1Very high37 Ų3774 Ų7422%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-76.9119.8175.1-1760000109.1S49 E50 F52 I65 T106 A108S49-V67 CarbonylContact C-O 3.52Å; S49-V67 WeakPolarHBondContact CA-O 3.32Å; S49-V67 WeakPolarHBondContact CB-O 3.45Å; E50-V67 PolarHBondContact N-O 3.18Å; E50-V67 PolarHBondContact O-N 3.5Å; F52-V67 HydrophobicContact CD2-CG2 3.89Å; F52-V67 HydrophobicContact CE2-CB 4.17Å; F52-V67 HydrophobicContact CE2-CG2 3.69Å; I65-V67 HydrophobicContact CG2-CG2 4.01Å; V67-T106 HydrophobicContact CG1-CG2 3.65Å; V67-A108 HydrophobicContact CG2-CB 4.23Å
68L95.2Very high95.2Very high6 Ų670.8 Ų70.83%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-83.2131.3-176.3-56.9-178.4000110.6K66 I76 T106 P107 L109K66-L68 HydrophobicContact CD-CD2 4.19Å; K66-L68 HydrophobicContact CG-CD2 4.1Å; K66-L68 PolarHBondContact O-N 3.49Å; L68-I76 HydrophobicContact CD1-CG1 4.07Å; L68-I76 HydrophobicContact CD1-CG2 3.97Å; L68-T106 WeakPolarHBondContact O-CG2 3.07Å; L68-P107 HydrophobicContact CB-CG 4.13Å; L68-P107 WeakPolarHBondContact CB-O 3.39Å; L68-P107 HydrophobicContact CD1-CB 4.35Å; L68-P107 HydrophobicContact CD1-CG 4.12Å; L68-P107 PolarHBondContact N-O 3.01Å; L68-L109 HydrophobicContact CD1-CD1 4.44Å; L68-L109 HydrophobicContact CD1-CG 4.25Å; L68-L109 HydrophobicContact CD2-CD1 4.41Å; L68-L109 HydrophobicContact CG-CG 4.49Å
69K92.7Very high95.2Very high55 Ų5567.2 Ų67.224%0.23933%0.327CS..PPolyproline II helixtrans-71.1162.6170.8-65.9-176.2-169.2168.30110.3G46 K47 Y48 V71G46-K69 PolarHBondContact O-NZ 3.24Å; K47-K69 WeakPolarHBondContact O-CD 3.49Å; K47-K69 PolarHBondContact O-NZ 3.05Å; Y48-K69 WeakPolarHBondContact O-CB 3.34Å; Y48-K69 PolarHBondContact O-N 2.99Å; K69-V71 PolarHBondContact O-N 3.14Å
70P90.7Very high95.3Very high139 Ų13963.6 Ų63.690%0.90331%0.308SS*.SBendtrans-53.3110.2176-2836.1000112.5
71V89.3Confident95.4Very high46 Ų4659 Ų5928%0.27928%0.282SS..  trans-137.7163.1176-660000109.8Y48 K69 K73 I76Y48-V71 HydrophobicContact CD1-CG1 4.15Å; K69-V71 PolarHBondContact O-N 3.14Å; V71-K73 PolarHBondContact O-N 3.31Å; V71-I76 HydrophobicContact CG2-CD1 3.83Å; V71-I76 HydrophobicContact CG2-CG1 3.58Å
72K91.8Very high95.5Very high166 Ų16653.6 Ų53.672%0.72226%0.257SS*.  trans-56.1132.5178.8-64.9-173.2178.1-173.60110.6K74 K75K72-K74 PolarHBondContact O-N 3.21Å; K72-K74 VanDerWaalsContact O-N 3.07Å; K72-K75 WeakPolarHBondContact O-CB 3.11Å; K72-K75 PolarHBondContact O-N 2.69Å
73K92.4Very high95.6Very high174 Ų17448 Ų4876%0.75723%0.233SC*.Hα-helixtrans-47.8-39.8178.1-69.9-177.1-179.91770113.1V71 K75 I76 K77V71-K73 PolarHBondContact O-N 3.31Å; K73-K75 VanDerWaalsContact C-N 3.29Å; K73-K75 PolarHBondContact O-N 2.99Å; K73-I76 PolarHBondContact O-N 2.91Å; K73-I76 VanDerWaalsContact O-N 3.13Å; K73-K77 PolarHBondContact O-N 3.32Å
74K93.8Very high95.5Very high105 Ų10549.9 Ų49.946%0.45724%0.242SC..Hα-helixtrans-52-42.4175.3-178173.6174.5164.90113.1Y24 E25 K72 R78Y24-K74 HydrophobicContact CD2-CG 4.23Å; Y24-K74 HydrophobicContact CE2-CD 4.23Å; Y24-K74 HydrophobicContact CE2-CG 3.63Å; E25-K74 HydrophobicContact CG-CD 4.39Å; E25-K74 HydrophobicContact CG-CG 4.45Å; E25-K74 WeakPolarHBondContact OE1-CD 3.47Å; E25-K74 WeakPolarHBondContact OE1-CE 3.29Å; E25-K74 IonicContact OE1-NZ 3.73Å; E25-K74 PolarHBondContact OE1-NZ 2.72Å; K72-K74 PolarHBondContact O-N 3.21Å; K72-K74 VanDerWaalsContact O-N 3.07Å; K74-R78 WeakPolarHBondContact O-CB 3.37Å; K74-R78 PolarHBondContact O-N 3.06Å
75K93.7Very high95.5Very high85 Ų8549.5 Ų49.537%0.3724%0.239SC..Hα-helixtrans-69.3-38.4179.5-68-171.6174.1-171.40112.3K72 K73 R78 E79K72-K75 WeakPolarHBondContact O-CB 3.11Å; K72-K75 PolarHBondContact O-N 2.69Å; K73-K75 VanDerWaalsContact C-N 3.29Å; K73-K75 PolarHBondContact O-N 2.99Å; K75-R78 PolarHBondContact O-N 3.48Å; K75-E79 PolarHBondContact O-N 3.3Å
76I94.5Very high95.5Very high21 Ų2149 Ų4911%0.10824%0.236CC..Hα-helixtrans-65.5-49.6178.2-61.4162000109.6L68 V71 K73 R78 E79 I80 P107L68-I76 HydrophobicContact CD1-CG1 4.07Å; L68-I76 HydrophobicContact CD1-CG2 3.97Å; V71-I76 HydrophobicContact CG2-CD1 3.83Å; V71-I76 HydrophobicContact CG2-CG1 3.58Å; K73-I76 PolarHBondContact O-N 2.91Å; K73-I76 VanDerWaalsContact O-N 3.13Å; I76-R78 VanDerWaalsContact C-N 3.3Å; I76-R78 PolarHBondContact O-N 3.12Å; I76-E79 PolarHBondContact O-N 3.21Å; I76-I80 HydrophobicContact CG2-CD1 3.65Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 2.85Å; I76-P107 HydrophobicContact CD1-CG 3.92Å; I76-P107 HydrophobicContact CG2-CG 4.34Å
77K96.7Very high95.4Very high56 Ų5653.2 Ų53.224%0.24325%0.252CS..Hα-helixtrans-58.4-42.4177-67-167.9177.7-1620112Y24 E25 Y27 V29 K73 K81Y24-K77 VanDerWaalsContact O-CB 3.23Å; Y24-K77 WeakPolarHBondContact O-CB 3.38Å; Y24-K77 WeakPolarHBondContact O-CD 3.47Å; E25-K77 PolarHBondContact O-NZ 2.79Å; Y27-K77 WeakPolarHBondContact O-CD 3.46Å; Y27-K77 VanDerWaalsContact O-CE 3.22Å; Y27-K77 WeakPolarHBondContact O-CE 3.38Å; Y27-K77 PolarHBondContact O-NZ 2.9Å; V29-K77 HydrophobicContact CG2-CG 4.35Å; K73-K77 PolarHBondContact O-N 3.32Å; K77-K81 VanDerWaalsContact O-CB 3.23Å; K77-K81 WeakPolarHBondContact O-CB 3.31Å; K77-K81 PolarHBondContact O-N 2.85Å
78R97.3Very high95.4Very high24 Ų2453.2 Ų53.29%0.09126%0.259CS..Hα-helixtrans-59.4-51.5176.7-176.8-176.764.6-173.77.2112.4Y24 K74 K75 I76 K81 I82 G175 A177 E178Y24-R78 HydrophobicContact CD1-CB 3.97Å; Y24-R78 HydrophobicContact CD1-CG 3.8Å; Y24-R78 HydrophobicContact CD2-CB 3.67Å; Y24-R78 HydrophobicContact CD2-CG 4.34Å; Y24-R78 HydrophobicContact CE1-CB 4.06Å; Y24-R78 HydrophobicContact CE1-CG 3.63Å; Y24-R78 HydrophobicContact CE2-CB 3.75Å; Y24-R78 HydrophobicContact CE2-CG 4.17Å; Y24-R78 HydrophobicContact CG-CB 3.77Å; Y24-R78 HydrophobicContact CG-CG 4.15Å; K74-R78 WeakPolarHBondContact O-CB 3.37Å; K74-R78 PolarHBondContact O-N 3.06Å; K75-R78 PolarHBondContact O-N 3.48Å; I76-R78 VanDerWaalsContact C-N 3.3Å; I76-R78 PolarHBondContact O-N 3.12Å; R78-K81 PolarHBondContact O-N 2.83Å; R78-I82 HydrophobicContact CG-CD1 3.85Å; R78-I82 WeakPolarHBondContact O-CB 3.41Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.18Å; R78-G175 PolarHBondContact NH2-O 2.9Å; R78-A177 WeakPolarHBondContact CD-O 3.04Å; R78-A177 PolarHBondContact NE-O 3.24Å; R78-E178 WeakPolarHBondContact CD-OE1 3.16Å; R78-E178 WeakPolarHBondContact CD-OE2 3.27Å; R78-E178 IonicContact CZ-OE2 3.1Å; R78-E178 IonicContact NE-OE2 3.34Å; R78-E178 IonicContact NH1-OE2 3.26Å; R78-E178 PolarHBondContact NH1-OE2 3.4Å
79E97.5Very high95.5Very high15 Ų1553.3 Ų53.37%0.0726%0.26CS..Hα-helixtrans-61.2-46-178.8-178.7171.3-16900111.2K66 K75 I76 I82 L83 L109 G175K66-E79 IonicContact NZ-OE1 3.85Å; K66-E79 PolarHBondContact NZ-OE1 2.91Å; K75-E79 PolarHBondContact O-N 3.3Å; I76-E79 PolarHBondContact O-N 3.21Å; E79-I82 PolarHBondContact O-N 2.94Å; E79-L83 HydrophobicContact CG-CD1 3.84Å; E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 WeakPolarHBondContact O-CG 3.4Å; E79-L83 PolarHBondContact O-N 3.1Å; E79-L109 HydrophobicContact CG-CD1 3.96Å; E79-G175 PolarHBondContact OE1-N 2.92Å; E79-G175 WeakPolarHBondContact OE2-CA 3.28Å
80I97.6Very high95.6Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-59.6-50.2176.5-67.7162.5000110.6Y27 V29 W31 I76 I82 L83 E84 V98 L109Y27-I80 HydrophobicContact CE1-CG2 3.94Å; V29-I80 HydrophobicContact CG1-CD1 3.87Å; V29-I80 HydrophobicContact CG2-CD1 3.77Å; W31-I80 HydrophobicContact CH2-CD1 4.49Å; I76-I80 HydrophobicContact CG2-CD1 3.65Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 2.85Å; I80-I82 VanDerWaalsContact C-N 3.32Å; I80-I82 PolarHBondContact O-N 3.26Å; I80-L83 PolarHBondContact O-N 2.95Å; I80-E84 HydrophobicContact CG2-CG 4.17Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.48Å; I80-E84 WeakPolarHBondContact O-CB 3.45Å; I80-E84 WeakPolarHBondContact O-CG 3.25Å; I80-E84 PolarHBondContact O-N 3.25Å; I80-V98 HydrophobicContact CD1-CG1 3.71Å; I80-V98 HydrophobicContact CG1-CG1 4.16Å; I80-V98 HydrophobicContact CG1-CG2 4.16Å; I80-V98 HydrophobicContact CG2-CG2 3.99Å; I80-L109 HydrophobicContact CD1-CD2 4.22Å; I80-L109 HydrophobicContact CG1-CD2 3.65Å
81K97.8Very high96Very high25 Ų2545.6 Ų45.611%0.10921%0.214CC..Hα-helixtrans-61.4-40.8-176.9-175.757.1175.4177.50112.4E20 Y21 Y27 K77 R78 N85 F179E20-K81 WeakPolarHBondContact O-CE 3.34Å; E20-K81 PolarHBondContact O-NZ 2.91Å; Y21-K81 WeakPolarHBondContact O-CE 3.16Å; Y27-K81 HydrophobicContact CD1-CB 4.35Å; Y27-K81 HydrophobicContact CD1-CD 4.41Å; Y27-K81 HydrophobicContact CD2-CD 4.25Å; Y27-K81 HydrophobicContact CG-CD 4.22Å; K77-K81 VanDerWaalsContact O-CB 3.23Å; K77-K81 WeakPolarHBondContact O-CB 3.31Å; K77-K81 PolarHBondContact O-N 2.85Å; R78-K81 PolarHBondContact O-N 2.83Å; K81-N85 WeakPolarHBondContact O-CB 3.32Å; K81-N85 VanDerWaalsContact O-CG 3.23Å; K81-N85 PolarHBondContact O-N 3.34Å; K81-N85 PolarHBondContact O-OD1 3.12Å; K81-F179 HydrophobicContact CG-CE2 4.27Å; K81-F179 HydrophobicContact CG-CZ 4.18Å
82I98.5Very high96.4Very high0 Ų043.8 Ų43.80%020%0.203CC..Hα-helixtrans-62.9-48.9174.8-75.2173.5000110.6R78 E79 I80 E84 N85 L86 I150 W174 A177 F179R78-I82 HydrophobicContact CG-CD1 3.85Å; R78-I82 WeakPolarHBondContact O-CB 3.41Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.18Å; E79-I82 PolarHBondContact O-N 2.94Å; I80-I82 VanDerWaalsContact C-N 3.32Å; I80-I82 PolarHBondContact O-N 3.26Å; I82-E84 PolarHBondContact O-N 2.6Å; I82-N85 PolarHBondContact O-N 3.09Å; I82-L86 HydrophobicContact CG2-CD1 3.64Å; I82-L86 HydrophobicContact CG2-CG 4.34Å; I82-L86 WeakPolarHBondContact O-CB 3.33Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.36Å; I82-L86 PolarHBondContact O-N 3.21Å; I82-I150 HydrophobicContact CD1-CG2 4.37Å; I82-I150 HydrophobicContact CG1-CG2 4.45Å; I82-I150 HydrophobicContact CG2-CD1 4.36Å; I82-I150 HydrophobicContact CG2-CG2 3.83Å; I82-W174 HydrophobicContact CG2-CB 4.26Å; I82-W174 HydrophobicContact CG2-CD2 4.42Å; I82-W174 HydrophobicContact CG2-CE3 3.92Å; I82-A177 HydrophobicContact CD1-CB 3.64Å; I82-A177 HydrophobicContact CG2-CB 4.1Å; I82-F179 HydrophobicContact CD1-CD2 4.47Å; I82-F179 HydrophobicContact CD1-CE2 4.23Å; I82-F179 HydrophobicContact CG1-CD2 4.21Å; I82-F179 HydrophobicContact CG1-CE1 4.31Å; I82-F179 HydrophobicContact CG1-CE2 3.54Å; I82-F179 HydrophobicContact CG1-CZ 3.6Å
83L98.2Very high96.7Very high1 Ų136.2 Ų36.21%0.00517%0.171CC..Hα-helixtrans-65.2-37-178.8-76.7167.7000113.2E79 I80 L86 R87 I93 L95 L109 F111 W174E79-L83 HydrophobicContact CG-CD1 3.84Å; E79-L83 WeakPolarHBondContact O-CB 3.49Å; E79-L83 WeakPolarHBondContact O-CG 3.4Å; E79-L83 PolarHBondContact O-N 3.1Å; I80-L83 PolarHBondContact O-N 2.95Å; L83-L86 CarbonylContact O-C 3.5Å; L83-L86 PolarHBondContact O-N 3.46Å; L83-R87 PolarHBondContact O-N 2.96Å; L83-R87 VanDerWaalsContact O-N 3.12Å; L83-I93 HydrophobicContact CD2-CG2 4.33Å; L83-L95 HydrophobicContact CB-CB 3.89Å; L83-L95 HydrophobicContact CB-CD2 3.58Å; L83-L95 HydrophobicContact CB-CG 4.28Å; L83-L95 HydrophobicContact CD1-CD1 4.31Å; L83-L95 HydrophobicContact CD1-CD2 4.29Å; L83-L109 HydrophobicContact CD1-CD1 3.97Å; L83-F111 HydrophobicContact CD1-CE1 3.64Å; L83-F111 HydrophobicContact CD1-CZ 3.67Å; L83-F111 HydrophobicContact CD2-CE1 3.9Å; L83-F111 HydrophobicContact CG-CE1 4.4Å; L83-W174 HydrophobicContact CD2-CB 4.02Å; L83-W174 VanDerWaalsContact CD2-CD1 3.46Å; L83-W174 HydrophobicContact CD2-CG 3.81Å; L83-W174 HydrophobicContact CG-CB 4.17Å; L83-W174 HydrophobicContact CG-CG 4.46Å
84E97.3Very high96.9Very high41 Ų4129.8 Ų29.819%0.19215%0.147CC..Hα-helixtrans-63.7-43.7172.5-73.9172.8169.700111.5Y27 I80 I82 L86 R87 L95Y27-E84 WeakPolarHBondContact CE1-OE2 3.36Å; Y27-E84 PolarHBondContact OH-OE1 3.03Å; Y27-E84 PolarHBondContact OH-OE2 3.38Å; I80-E84 HydrophobicContact CG2-CG 4.17Å; I80-E84 WeakPolarHBondContact CG2-OE1 3.48Å; I80-E84 WeakPolarHBondContact O-CB 3.45Å; I80-E84 WeakPolarHBondContact O-CG 3.25Å; I80-E84 PolarHBondContact O-N 3.25Å; I82-E84 PolarHBondContact O-N 2.6Å; E84-L86 VanDerWaalsContact C-N 3.27Å; E84-L86 PolarHBondContact O-N 3.03Å; E84-R87 WeakPolarHBondContact O-CB 3.45Å; E84-R87 PolarHBondContact O-N 3.05Å; E84-L95 HydrophobicContact CG-CD2 4.22Å
85N97.3Very high97.1Very high18 Ų1824.8 Ų24.810%0.09613%0.125CC..Hα-helixtrans-64.5-33.8175.4-72.50.6000111.5Y21 K81 I82 R87 M148 I150 F179Y21-N85 HydrophobicContact CE2-CB 4.2Å; Y21-N85 VanDerWaalsContact CE2-ND2 3.28Å; Y21-N85 WeakPolarHBondContact CE2-ND2 3.28Å; Y21-N85 PolarHBondContact O-ND2 3.1Å; K81-N85 WeakPolarHBondContact O-CB 3.32Å; K81-N85 VanDerWaalsContact O-CG 3.23Å; K81-N85 PolarHBondContact O-N 3.34Å; K81-N85 PolarHBondContact O-OD1 3.12Å; I82-N85 PolarHBondContact O-N 3.09Å; N85-R87 VanDerWaalsContact C-N 3.33Å; N85-M148 WeakPolarHBondContact O-CE 3.48Å; N85-I150 HydrophobicContact CB-CD1 4.35Å; N85-F179 WeakPolarHBondContact ND2-CE1 3.31Å; N85-F179 WeakPolarHBondContact ND2-CZ 3.18Å
86L98Very high97.3Very high1 Ų123.9 Ų23.91%0.00512%0.123CC..THydrogen-bonded Turntrans-874.9-179.6-65.4174.9000114.3I82 L83 E84 G88 V89 V92 C145 M148 I150 W174I82-L86 HydrophobicContact CG2-CD1 3.64Å; I82-L86 HydrophobicContact CG2-CG 4.34Å; I82-L86 WeakPolarHBondContact O-CB 3.33Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.36Å; I82-L86 PolarHBondContact O-N 3.21Å; L83-L86 CarbonylContact O-C 3.5Å; L83-L86 PolarHBondContact O-N 3.46Å; E84-L86 VanDerWaalsContact C-N 3.27Å; E84-L86 PolarHBondContact O-N 3.03Å; L86-G88 PolarHBondContact O-N 2.84Å; L86-V89 HydrophobicContact CB-CB 4.47Å; L86-V89 HydrophobicContact CB-CG2 4.29Å; L86-V89 HydrophobicContact CD2-CB 4.39Å; L86-V89 HydrophobicContact CD2-CG1 4.37Å; L86-V89 HydrophobicContact CD2-CG2 4.06Å; L86-V89 VanDerWaalsContact O-CB 3.22Å; L86-V89 WeakPolarHBondContact O-CB 3.45Å; L86-V89 VanDerWaalsContact O-CG2 3.3Å; L86-V89 WeakPolarHBondContact O-CG2 3.33Å; L86-V89 PolarHBondContact O-N 3.12Å; L86-V92 HydrophobicContact CB-CG1 3.94Å; L86-V92 HydrophobicContact CD1-CG1 4.21Å; L86-C145 HydrophobicContact CD2-CB 3.8Å; L86-M148 HydrophobicContact CD2-CE 4.36Å; L86-M148 HydrophobicContact CD2-SD 3.95Å; L86-I150 HydrophobicContact CD1-CD1 4.36Å; L86-I150 HydrophobicContact CD1-CG2 4.38Å; L86-I150 HydrophobicContact CD2-CD1 3.82Å; L86-I150 HydrophobicContact CG-CD1 3.91Å; L86-W174 HydrophobicContact CD1-CD2 3.68Å; L86-W174 HydrophobicContact CD1-CE3 3.37Å; L86-W174 HydrophobicContact CD1-CH2 3.53Å; L86-W174 HydrophobicContact CD1-CZ2 3.82Å; L86-W174 HydrophobicContact CD1-CZ3 3.31Å
87R96.8Very high97.4Very high103 Ų10323.8 Ų23.839%0.38913%0.125SC..THydrogen-bonded Turntrans-60.4127.5177.7-176.2179-79.4-174.2-7110.6L83 E84 N85 V89 L95 E96L83-R87 PolarHBondContact O-N 2.96Å; L83-R87 VanDerWaalsContact O-N 3.12Å; E84-R87 WeakPolarHBondContact O-CB 3.45Å; E84-R87 PolarHBondContact O-N 3.05Å; N85-R87 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.19Å; R87-L95 PolarHBondContact NE-O 3.18Å; R87-L95 PolarHBondContact NH2-O 2.99Å; R87-E96 PolarHBondContact NH2-O 3.35Å
88G95.9Very high97.5Very high37 Ų3721.5 Ų21.538%0.38112%0.116SC..THydrogen-bonded Turntrans75.14.7-178.100000114.7L86L86-G88 PolarHBondContact O-N 2.84Å
89V97.3Very high97.5Very high7 Ų720.5 Ų20.54%0.04211%0.112CC..  trans-72.6141.6174.7178.30000110.2L86 R87 N91 V92 A144 M148L86-V89 HydrophobicContact CB-CB 4.47Å; L86-V89 HydrophobicContact CB-CG2 4.29Å; L86-V89 HydrophobicContact CD2-CB 4.39Å; L86-V89 HydrophobicContact CD2-CG1 4.37Å; L86-V89 HydrophobicContact CD2-CG2 4.06Å; L86-V89 VanDerWaalsContact O-CB 3.22Å; L86-V89 WeakPolarHBondContact O-CB 3.45Å; L86-V89 VanDerWaalsContact O-CG2 3.3Å; L86-V89 WeakPolarHBondContact O-CG2 3.33Å; L86-V89 PolarHBondContact O-N 3.12Å; R87-V89 PolarHBondContact O-N 3.19Å; V89-N91 PolarHBondContact O-N 3.01Å; V89-V92 HydrophobicContact CB-CB 4.28Å; V89-V92 HydrophobicContact CB-CG2 4.01Å; V89-V92 HydrophobicContact CG1-CG2 3.8Å; V89-V92 PolarHBondContact O-N 3.18Å; V89-A144 HydrophobicContact CG1-CB 3.53Å; V89-M148 HydrophobicContact CG1-SD 4.41Å; V89-M148 HydrophobicContact CG2-CE 4.14Å; V89-M148 HydrophobicContact CG2-SD 3.44Å; V89-M148 WeakPolarHBondContact CG2-SD 3.23Å
90T96.3Very high97.4Very high15 Ų1522.6 Ų22.69%0.09212%0.121CC..THydrogen-bonded Turntrans-53.1125.7-176.6-65.20000111.8V92 R140 A141 G336 A337T90-V92 PolarHBondContact O-N 3.49Å; T90-V92 VanDerWaalsContact O-N 3.08Å; T90-R140 HydrophobicContact CG2-CB 4.23Å; T90-A141 WeakPolarHBondContact O-CA 3.44Å; T90-G336 VanDerWaalsContact OG1-CA 3.25Å; T90-G336 WeakPolarHBondContact OG1-CA 3.41Å; T90-A337 PolarHBondContact N-O 3.16Å; T90-A337 PolarHBondContact OG1-N 3.33Å
91N97.7Very high97.2Very high18 Ų1824.2 Ų24.210%0.09613%0.13CC..THydrogen-bonded Turntrans57.618.8176.1-61.2-21.8000115V89 E137 A141 L169 R170 L171V89-N91 PolarHBondContact O-N 3.01Å; N91-E137 PolarHBondContact ND2-O 2.88Å; N91-E137 PolarHBondContact ND2-OE2 3.1Å; N91-A141 HydrophobicContact CB-CB 3.8Å; N91-L169 HydrophobicContact CB-CD2 4.18Å; N91-R170 CarbonylContact O-C 3.55Å; N91-R170 WeakPolarHBondContact O-CA 3.1Å; N91-L171 PolarHBondContact O-N 3.48Å
92V98.3Very high96.8Very high7 Ų727.4 Ų27.44%0.04215%0.153CC..BIsolated β-bridgetrans-97.7140.3170.1-178.70000109.5L86 V89 T90 C94 R170 W174L86-V92 HydrophobicContact CB-CG1 3.94Å; L86-V92 HydrophobicContact CD1-CG1 4.21Å; V89-V92 HydrophobicContact CB-CB 4.28Å; V89-V92 HydrophobicContact CB-CG2 4.01Å; V89-V92 HydrophobicContact CG1-CG2 3.8Å; V89-V92 PolarHBondContact O-N 3.18Å; T90-V92 PolarHBondContact O-N 3.49Å; T90-V92 VanDerWaalsContact O-N 3.08Å; V92-C94 PolarHBondContact O-N 3.42Å; V92-R170 WeakPolarHBondContact O-CD 3.39Å; V92-W174 HydrophobicContact CB-CZ2 4.23Å; V92-W174 HydrophobicContact CG1-CZ2 3.54Å; V92-W174 HydrophobicContact CG2-CH2 4.22Å; V92-W174 HydrophobicContact CG2-CZ2 3.73Å
93I98Very high96.5Very high8 Ų834.8 Ų34.84%0.04119%0.191CC..PPolyproline II helixtrans-59.2132175.2-167.673.1000111.8L83 L95 F111 E112 V114 R170 L171 I172L83-I93 HydrophobicContact CD2-CG2 4.33Å; I93-L95 PolarHBondContact O-N 3.15Å; I93-F111 HydrophobicContact CG1-CB 3.98Å; I93-F111 HydrophobicContact CG1-CD1 3.83Å; I93-F111 HydrophobicContact CG1-CG 4.2Å; I93-F111 HydrophobicContact CG2-CD1 3.99Å; I93-F111 HydrophobicContact CG2-CE1 4.11Å; I93-E112 HydrophobicContact CD1-CG 3.4Å; I93-E112 HydrophobicContact CG1-CG 4.18Å; I93-V114 HydrophobicContact CD1-CG2 3.54Å; I93-R170 HydrophobicContact CD1-CB 4.29Å; I93-R170 HydrophobicContact CD1-CG 4.41Å; I93-L171 PolarHBondContact N-O 3.32Å; I93-I172 HydrophobicContact CB-CG2 3.77Å; I93-I172 HydrophobicContact CD1-CG2 4Å; I93-I172 HydrophobicContact CG1-CG2 3.97Å; I93-I172 HydrophobicContact CG2-CB 4.33Å; I93-I172 HydrophobicContact CG2-CG2 4.09Å
94C97.4Very high96.2Very high38 Ų3838 Ų3826%0.25721%0.213SC..PPolyproline II helixtrans-75.2119.9176.7-167.20000111V92 F111 E112V92-C94 PolarHBondContact O-N 3.42Å; C94-F111 VanDerWaalsContact O-CA 3.28Å; C94-F111 WeakPolarHBondContact O-CA 3.45Å; C94-E112 HydrophobicContact CB-CB 4.23Å; C94-E112 HydrophobicContact CB-CG 4.04Å; C94-E112 WeakPolarHBondContact CB-OE1 3.49Å; C94-E112 PolarHBondContact N-OE1 3.33Å; C94-E112 PolarHBondContact O-N 2.84Å; C94-E112 VanDerWaalsContact O-N 3.14Å
95L98.1Very high95.9Very high1 Ų144 Ų441%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-80.2111.3163.1177.373.9000108.6L83 E84 R87 I93 A97 V98 L109 I110 F111L83-L95 HydrophobicContact CB-CB 3.89Å; L83-L95 HydrophobicContact CB-CD2 3.58Å; L83-L95 HydrophobicContact CB-CG 4.28Å; L83-L95 HydrophobicContact CD1-CD1 4.31Å; L83-L95 HydrophobicContact CD1-CD2 4.29Å; E84-L95 HydrophobicContact CG-CD2 4.22Å; R87-L95 PolarHBondContact NE-O 3.18Å; R87-L95 PolarHBondContact NH2-O 2.99Å; I93-L95 PolarHBondContact O-N 3.15Å; L95-A97 WeakPolarHBondContact CD1-O 3.49Å; L95-V98 HydrophobicContact CD1-CG2 4.2Å; L95-V98 HydrophobicContact CD2-CG2 3.79Å; L95-V98 HydrophobicContact CG-CG2 4.33Å; L95-L109 HydrophobicContact CD1-CB 3.91Å; L95-L109 HydrophobicContact CD1-CD2 4.42Å; L95-I110 WeakPolarHBondContact CD1-O 3.34Å; L95-F111 HydrophobicContact CB-CD1 4.32Å; L95-F111 HydrophobicContact CB-CE1 4.16Å; L95-F111 HydrophobicContact CD1-CD1 4.26Å; L95-F111 HydrophobicContact CD1-CE1 3.87Å; L95-F111 HydrophobicContact CD1-CZ 4.11Å
96E96.8Very high95.8Very high66 Ų6645.2 Ų45.231%0.30824%0.242SC..EExtended strand (participates in β ladder)trans-82.5-49.1-177.9-64.6177.8163.600110.6R87 I110 E112R87-E96 PolarHBondContact NH2-O 3.35Å; E96-I110 HydrophobicContact CB-CG2 4.38Å; E96-I110 PolarHBondContact N-O 2.83Å; E96-E112 VanDerWaalsContact OE1-CA 3.25Å; E96-E112 WeakPolarHBondContact OE1-CA 2.88Å; E96-E112 PolarHBondContact OE1-N 2.8Å
97A97.3Very high95.7Very high19 Ų1946 Ų4616%0.15725%0.247CC..EExtended strand (participates in β ladder)trans-150.3164.7-178.700000112.6Y37 L95 I110Y37-A97 HydrophobicContact CE2-CB 4.23Å; Y37-A97 WeakPolarHBondContact OH-CB 3.5Å; L95-A97 WeakPolarHBondContact CD1-O 3.49Å; A97-I110 HydrophobicContact CB-CB 4.1Å; A97-I110 HydrophobicContact CB-CG1 4.05Å; A97-I110 PolarHBondContact N-O 3.16Å; A97-I110 PolarHBondContact O-N 2.98Å
98V97.8Very high95.7Very high8 Ų841.3 Ų41.35%0.04823%0.23CC..EExtended strand (participates in β ladder)trans-127.1119.2173-1780000106.9V29 W31 G32 I80 L95 L109V29-V98 HydrophobicContact CG1-CB 4.48Å; V29-V98 HydrophobicContact CG1-CG1 3.86Å; W31-V98 CarbonylContact C-O 3.56Å; W31-V98 WeakPolarHBondContact CA-O 3.14Å; W31-V98 HydrophobicContact CE3-CG1 3.61Å; W31-V98 HydrophobicContact CH2-CG1 4.25Å; W31-V98 HydrophobicContact CZ3-CG1 3.4Å; G32-V98 PolarHBondContact N-O 3.27Å; I80-V98 HydrophobicContact CD1-CG1 3.71Å; I80-V98 HydrophobicContact CG1-CG1 4.16Å; I80-V98 HydrophobicContact CG1-CG2 4.16Å; I80-V98 HydrophobicContact CG2-CG2 3.99Å; L95-V98 HydrophobicContact CD1-CG2 4.2Å; L95-V98 HydrophobicContact CD2-CG2 3.79Å; L95-V98 HydrophobicContact CG-CG2 4.33Å; V98-L109 HydrophobicContact CB-CD2 4.46Å; V98-L109 HydrophobicContact CG1-CD2 3.9Å; V98-L109 HydrophobicContact CG2-CD2 4.02Å
99V97.7Very high95.8Very high2 Ų239.5 Ų39.51%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-121.3163.1-176-56.20000110.5W31 D33 Q34 Y37 P107 A108 I110W31-V99 WeakPolarHBondContact CZ3-O 3.48Å; D33-V99 VanDerWaalsContact O-CG1 3.31Å; D33-V99 WeakPolarHBondContact O-CG1 3.48Å; Q34-V99 HydrophobicContact CB-CB 4.21Å; Q34-V99 HydrophobicContact CB-CG2 4.36Å; Q34-V99 HydrophobicContact CG-CG2 4.37Å; Y37-V99 HydrophobicContact CD2-CG1 3.83Å; Y37-V99 HydrophobicContact CE2-CG1 3.6Å; V99-P107 WeakPolarHBondContact O-CA 3.32Å; V99-A108 HydrophobicContact CG2-CB 3.85Å; V99-A108 PolarHBondContact N-O 3.21Å; V99-A108 PolarHBondContact O-N 2.63Å; V99-I110 HydrophobicContact CG1-CG1 4.21Å; V99-I110 HydrophobicContact CG2-CD1 3.99Å; V99-I110 HydrophobicContact CG2-CG1 4.31Å
100K95.5Very high95.9Very high60 Ų6039.2 Ų39.226%0.26121%0.21SC..EExtended strand (participates in β ladder)trans-147127.4179.5-175.2178.4-174.1-174.50110.8W31 R105 T106W31-K100 HydrophobicContact CD2-CB 3.81Å; W31-K100 HydrophobicContact CD2-CD 4.1Å; W31-K100 HydrophobicContact CE3-CB 3.43Å; W31-K100 VanDerWaalsContact CE3-CB 3.43Å; W31-K100 HydrophobicContact CE3-CD 4.29Å; W31-K100 HydrophobicContact CE3-CG 4.42Å; W31-K100 HydrophobicContact CG-CB 4.39Å; W31-K100 HydrophobicContact CH2-CB 4.46Å; W31-K100 HydrophobicContact CH2-CD 4.21Å; W31-K100 HydrophobicContact CZ2-CD 4.03Å; W31-K100 HydrophobicContact CZ3-CB 3.78Å; W31-K100 HydrophobicContact CZ3-CD 4.32Å; W31-K100 HydrophobicContact CZ3-CG 4.43Å; K100-R105 WeakPolarHBondContact CE-O 3.36Å; K100-T106 WeakPolarHBondContact CA-O 3.18Å
101D92.9Very high96Very high34 Ų3439.2 Ų39.218%0.18221%0.209CC..  trans-59.8124.3177.7-176.364.8000110.3Q34 I103 S104 R105 T106Q34-D101 PolarHBondContact NE2-OD1 3.25Å; Q34-D101 VanDerWaalsContact OE1-CB 3.24Å; D101-I103 PolarHBondContact O-N 3.15Å; D101-I103 PolarHBondContact OD2-N 2.92Å; D101-S104 WeakPolarHBondContact CB-OG 3.39Å; D101-S104 VanDerWaalsContact CG-OG 3.3Å; D101-S104 WeakPolarHBondContact OD2-CA 3.41Å; D101-S104 WeakPolarHBondContact OD2-CB 3.31Å; D101-S104 PolarHBondContact OD2-N 3.36Å; D101-S104 PolarHBondContact OD2-OG 3.39Å; D101-R105 WeakPolarHBondContact O-CA 3.38Å; D101-R105 PolarHBondContact O-N 2.9Å; D101-T106 PolarHBondContact N-O 3.33Å
102P90.8Very high95.9Very high91 Ų9140.4 Ų40.459%0.59121%0.214SC*.THydrogen-bonded Turntrans-65.6-28.2-173.822.7-31.9000112.5
103I91.6Very high95.9Very high156 Ų15642.6 Ų42.680%0.822%0.224SC*.THydrogen-bonded Turntrans-89.1-64.1-175.5-57.4175.1000110.9D101 R105D101-I103 PolarHBondContact O-N 3.15Å; D101-I103 PolarHBondContact OD2-N 2.92Å; I103-R105 VanDerWaalsContact C-N 3.25Å; I103-R105 PolarHBondContact O-N 3.49Å
104S91.1Very high95.7Very high68 Ų6843.5 Ų43.548%0.47623%0.229SC..THydrogen-bonded Turntrans-74.7-14.1-177.671.50000113.4D101 T106D101-S104 WeakPolarHBondContact CB-OG 3.39Å; D101-S104 VanDerWaalsContact CG-OG 3.3Å; D101-S104 WeakPolarHBondContact OD2-CA 3.41Å; D101-S104 WeakPolarHBondContact OD2-CB 3.31Å; D101-S104 PolarHBondContact OD2-N 3.36Å; D101-S104 PolarHBondContact OD2-OG 3.39Å; S104-T106 PolarHBondContact O-N 2.63Å; S104-T106 WeakPolarHBondContact OG-CB 3.17Å; S104-T106 PolarHBondContact OG-N 3.39Å; S104-T106 PolarHBondContact OG-OG1 2.69Å
105R92Very high95.5Very high167 Ų16747.2 Ų47.263%0.6324%0.243SC*.  trans59.920.8-174.6-55.5-65.3-132.9165.50.3113.1K100 D101 I103 P107K100-R105 WeakPolarHBondContact CE-O 3.36Å; D101-R105 WeakPolarHBondContact O-CA 3.38Å; D101-R105 PolarHBondContact O-N 2.9Å; I103-R105 VanDerWaalsContact C-N 3.25Å; I103-R105 PolarHBondContact O-N 3.49Å; R105-P107 WeakPolarHBondContact O-CD 3.2Å
106T94Very high95.2Very high44 Ų4450.2 Ų50.227%0.2726%0.259SS..  trans-77122.1179.8-55.80000109.9V67 L68 K100 D101 S104V67-T106 HydrophobicContact CG1-CG2 3.65Å; L68-T106 WeakPolarHBondContact O-CG2 3.07Å; K100-T106 WeakPolarHBondContact CA-O 3.18Å; D101-T106 PolarHBondContact N-O 3.33Å; S104-T106 PolarHBondContact O-N 2.63Å; S104-T106 WeakPolarHBondContact OG-CB 3.17Å; S104-T106 PolarHBondContact OG-N 3.39Å; S104-T106 PolarHBondContact OG-OG1 2.69Å
107P96.4Very high94.9Very high16 Ų1651.8 Ų51.810%0.10426%0.262CS..EExtended strand (participates in β ladder)trans-80.8144.8177.326.7-22.9000111.7W31 L68 I76 V99 R105W31-P107 HydrophobicContact CH2-CB 3.67Å; W31-P107 HydrophobicContact CZ3-CB 3.64Å; L68-P107 HydrophobicContact CB-CG 4.13Å; L68-P107 WeakPolarHBondContact CB-O 3.39Å; L68-P107 HydrophobicContact CD1-CB 4.35Å; L68-P107 HydrophobicContact CD1-CG 4.12Å; L68-P107 PolarHBondContact N-O 3.01Å; I76-P107 HydrophobicContact CD1-CG 3.92Å; I76-P107 HydrophobicContact CG2-CG 4.34Å; V99-P107 WeakPolarHBondContact O-CA 3.32Å; R105-P107 WeakPolarHBondContact O-CD 3.2Å
108A97.7Very high94.7Very high5 Ų554.5 Ų54.54%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-131.3144.6170.500000110.9I65 K66 V67 V99I65-A108 HydrophobicContact CG2-CB 4.07Å; K66-A108 VanDerWaalsContact O-CA 3.29Å; K66-A108 WeakPolarHBondContact O-CA 3.25Å; V67-A108 HydrophobicContact CG2-CB 4.23Å; V99-A108 HydrophobicContact CG2-CB 3.85Å; V99-A108 PolarHBondContact N-O 3.21Å; V99-A108 PolarHBondContact O-N 2.63Å
109L98.2Very high94.6Very high0 Ų054.9 Ų54.90%028%0.275CS..EExtended strand (participates in β ladder)trans-105.3131.3175.8-52.6-177.8000108.6K66 L68 E79 I80 L83 L95 V98 F111K66-L109 HydrophobicContact CB-CB 4.36Å; K66-L109 PolarHBondContact N-O 3.23Å; K66-L109 PolarHBondContact O-N 3.32Å; L68-L109 HydrophobicContact CD1-CD1 4.44Å; L68-L109 HydrophobicContact CD1-CG 4.25Å; L68-L109 HydrophobicContact CD2-CD1 4.41Å; L68-L109 HydrophobicContact CG-CG 4.49Å; E79-L109 HydrophobicContact CG-CD1 3.96Å; I80-L109 HydrophobicContact CD1-CD2 4.22Å; I80-L109 HydrophobicContact CG1-CD2 3.65Å; L83-L109 HydrophobicContact CD1-CD1 3.97Å; L95-L109 HydrophobicContact CD1-CB 3.91Å; L95-L109 HydrophobicContact CD1-CD2 4.42Å; V98-L109 HydrophobicContact CB-CD2 4.46Å; V98-L109 HydrophobicContact CG1-CD2 3.9Å; V98-L109 HydrophobicContact CG2-CD2 4.02Å; L109-F111 HydrophobicContact CB-CD2 4.31Å; L109-F111 HydrophobicContact CB-CE2 3.45Å; L109-F111 VanDerWaalsContact CB-CE2 3.45Å; L109-F111 HydrophobicContact CB-CZ 3.7Å; L109-F111 HydrophobicContact CD1-CE2 4.32Å; L109-F111 HydrophobicContact CD1-CZ 3.93Å; L109-F111 HydrophobicContact CG-CZ 4.48Å
110I98.3Very high94.4Very high0 Ų061 Ų610%030%0.302CS..EExtended strand (participates in β ladder)trans-104.9123.6-179.1-47-59.1000108.8Y37 C63 I65 L95 E96 A97 V99Y37-I110 HydrophobicContact CD1-CD1 4.26Å; Y37-I110 HydrophobicContact CD1-CG1 4.33Å; Y37-I110 HydrophobicContact CD1-CG2 3.91Å; Y37-I110 HydrophobicContact CD2-CD1 4.05Å; Y37-I110 HydrophobicContact CD2-CG1 4.06Å; Y37-I110 HydrophobicContact CE1-CB 4.33Å; Y37-I110 HydrophobicContact CE1-CG1 4.16Å; Y37-I110 HydrophobicContact CE1-CG2 3.51Å; Y37-I110 HydrophobicContact CE2-CD1 4.36Å; Y37-I110 HydrophobicContact CE2-CG1 3.85Å; Y37-I110 HydrophobicContact CG-CD1 3.98Å; Y37-I110 HydrophobicContact CG-CG1 4.28Å; C63-I110 HydrophobicContact CB-CG2 3.84Å; I65-I110 HydrophobicContact CB-CD1 4.32Å; I65-I110 HydrophobicContact CG1-CD1 3.95Å; I65-I110 HydrophobicContact CG2-CD1 3.97Å; L95-I110 WeakPolarHBondContact CD1-O 3.34Å; E96-I110 HydrophobicContact CB-CG2 4.38Å; E96-I110 PolarHBondContact N-O 2.83Å; A97-I110 HydrophobicContact CB-CB 4.1Å; A97-I110 HydrophobicContact CB-CG1 4.05Å; A97-I110 PolarHBondContact N-O 3.16Å; A97-I110 PolarHBondContact O-N 2.98Å; V99-I110 HydrophobicContact CG1-CG1 4.21Å; V99-I110 HydrophobicContact CG2-CD1 3.99Å; V99-I110 HydrophobicContact CG2-CG1 4.31Å
111F98.3Very high94.3Very high15 Ų1564 Ų647%0.06632%0.317CS..EExtended strand (participates in β ladder)trans-120.6157.5-178.8-60-83.8000111.6C63 V64 K66 L83 I93 C94 L95 L109C63-F111 WeakPolarHBondContact CA-O 3.43Å; C63-F111 WeakPolarHBondContact CB-O 3.41Å; V64-F111 HydrophobicContact CB-CB 4.33Å; V64-F111 PolarHBondContact N-O 3.3Å; V64-F111 PolarHBondContact O-N 3.25Å; K66-F111 HydrophobicContact CB-CD2 4.32Å; K66-F111 HydrophobicContact CB-CE2 3.82Å; K66-F111 HydrophobicContact CD-CE2 4.02Å; L83-F111 HydrophobicContact CD1-CE1 3.64Å; L83-F111 HydrophobicContact CD1-CZ 3.67Å; L83-F111 HydrophobicContact CD2-CE1 3.9Å; L83-F111 HydrophobicContact CG-CE1 4.4Å; I93-F111 HydrophobicContact CG1-CB 3.98Å; I93-F111 HydrophobicContact CG1-CD1 3.83Å; I93-F111 HydrophobicContact CG1-CG 4.2Å; I93-F111 HydrophobicContact CG2-CD1 3.99Å; I93-F111 HydrophobicContact CG2-CE1 4.11Å; C94-F111 VanDerWaalsContact O-CA 3.28Å; C94-F111 WeakPolarHBondContact O-CA 3.45Å; L95-F111 HydrophobicContact CB-CD1 4.32Å; L95-F111 HydrophobicContact CB-CE1 4.16Å; L95-F111 HydrophobicContact CD1-CD1 4.26Å; L95-F111 HydrophobicContact CD1-CE1 3.87Å; L95-F111 HydrophobicContact CD1-CZ 4.11Å; L109-F111 HydrophobicContact CB-CD2 4.31Å; L109-F111 HydrophobicContact CB-CE2 3.45Å; L109-F111 VanDerWaalsContact CB-CE2 3.45Å; L109-F111 HydrophobicContact CB-CZ 3.7Å; L109-F111 HydrophobicContact CD1-CE2 4.32Å; L109-F111 HydrophobicContact CD1-CZ 3.93Å; L109-F111 HydrophobicContact CG-CZ 4.48Å
112E96.9Very high94.4Very high44 Ų4462.5 Ų62.521%0.20631%0.308CS..EExtended strand (participates in β ladder)trans-52.2141.8167.168.1179.1130.700110.5I93 C94 E96 V114 R170I93-E112 HydrophobicContact CD1-CG 3.4Å; I93-E112 HydrophobicContact CG1-CG 4.18Å; C94-E112 HydrophobicContact CB-CB 4.23Å; C94-E112 HydrophobicContact CB-CG 4.04Å; C94-E112 WeakPolarHBondContact CB-OE1 3.49Å; C94-E112 PolarHBondContact N-OE1 3.33Å; C94-E112 PolarHBondContact O-N 2.84Å; C94-E112 VanDerWaalsContact O-N 3.14Å; E96-E112 VanDerWaalsContact OE1-CA 3.25Å; E96-E112 WeakPolarHBondContact OE1-CA 2.88Å; E96-E112 PolarHBondContact OE1-N 2.8Å; E112-V114 HydrophobicContact CG-CG2 4.09Å; E112-V114 PolarHBondContact O-N 3.26Å; E112-R170 IonicContact OE1-NE 3.96Å; E112-R170 PolarHBondContact OE1-NE 2.86Å; E112-R170 IonicContact OE2-NE 3.9Å; E112-R170 IonicContact OE2-NH2 2.63Å
113H96.7Very high94.7Very high52 Ų5259 Ų5924%0.24128%0.283CS..  trans-79.4118.8172.1175.9-82.3000110.9E53 K62E53-H113 IonicContact OE1-NE2 3.78Å; K62-H113 HydrophobicContact CB-CB 3.75Å; K62-H113 WeakPolarHBondContact O-CB 3.16Å
114V94.8Very high94.7Very high27 Ų2757 Ų5716%0.16427%0.271CS..  trans-105.6118174.6-1750000109.4I93 E112 N116 M161 R170I93-V114 HydrophobicContact CD1-CG2 3.54Å; E112-V114 HydrophobicContact CG-CG2 4.09Å; E112-V114 PolarHBondContact O-N 3.26Å; V114-N116 PolarHBondContact O-N 2.74Å; V114-N116 VanDerWaalsContact O-N 3.08Å; V114-M161 HydrophobicContact CB-CB 4.42Å; V114-M161 HydrophobicContact CG1-CB 3.93Å; V114-R170 HydrophobicContact CG2-CB 4.25Å; V114-R170 HydrophobicContact CG2-CG 3.87Å
115E92.6Very high95Very high117 Ų11757.5 Ų57.555%0.54727%0.271SS..  trans-63.6109.9166.8-68.1175.2-178.900109.2N163E115-N163 VanDerWaalsContact O-CA 3.29Å; E115-N163 WeakPolarHBondContact O-CA 3.41Å; E115-N163 WeakPolarHBondContact O-CB 3.43Å; E115-N163 PolarHBondContact OE2-ND2 2.84Å
116N92.9Very high95.2Very high63 Ų6349.7 Ų49.734%0.33724%0.241SC..  trans-119.9143.6-176.3176.565.9000110.6V114 M161 I162V114-N116 PolarHBondContact O-N 2.74Å; V114-N116 VanDerWaalsContact O-N 3.08Å; N116-M161 HydrophobicContact CB-CB 4.35Å; N116-M161 HydrophobicContact CB-SD 3.82Å; N116-M161 VanDerWaalsContact CG-SD 3.55Å; N116-M161 WeakPolarHBondContact OD1-CA 3.34Å; N116-I162 PolarHBondContact OD1-N 3.26Å; N116-I162 PolarHBondContact OD1-O 3.4Å
117R90.7Very high95.4Very high99 Ų9950.9 Ų50.937%0.37425%0.249SC..  trans-96.7141.4164.2-68.6-173.563.8-153.2-5109.7F119 L122 I162R117-F119 PolarHBondContact O-N 3.02Å; R117-L122 HydrophobicContact CB-CB 4.22Å; R117-I162 PolarHBondContact N-O 3.17Å
118D92.4Very high95.5Very high77 Ų7752 Ų5241%0.41225%0.254SS..  trans-56.1130.7175.8-170.6-65.9000109.6K120 E121 L122D118-K120 PolarHBondContact O-N 3.49Å; D118-K120 WeakPolarHBondContact OD1-CB 3.37Å; D118-K120 WeakPolarHBondContact OD1-CG 3.35Å; D118-K120 PolarHBondContact OD1-N 2.77Å; D118-E121 PolarHBondContact O-N 3.1Å; D118-E121 VanDerWaalsContact O-N 3.08Å; D118-L122 WeakPolarHBondContact O-CB 3.47Å; D118-L122 PolarHBondContact O-N 3.25Å
119F94.5Very high95.5Very high15 Ų1555.9 Ų55.97%0.06627%0.268CS..Hα-helixtrans-61.9-29.8-175.274.1-88.9000112.2R117 E121 L122 Y123 P157 H158 E228R117-F119 PolarHBondContact O-N 3.02Å; F119-E121 VanDerWaalsContact C-N 3.27Å; F119-E121 PolarHBondContact O-N 3.34Å; F119-L122 PolarHBondContact O-N 2.85Å; F119-Y123 HydrophobicContact CB-CD1 4.11Å; F119-Y123 HydrophobicContact CB-CD2 4.47Å; F119-Y123 HydrophobicContact CB-CE1 3.78Å; F119-Y123 HydrophobicContact CB-CE2 4.19Å; F119-Y123 HydrophobicContact CB-CG 4.44Å; F119-Y123 HydrophobicContact CD2-CD2 4.19Å; F119-Y123 HydrophobicContact CD2-CE2 4.1Å; F119-Y123 VanDerWaalsContact O-CB 3.23Å; F119-Y123 WeakPolarHBondContact O-CB 3.48Å; F119-Y123 WeakPolarHBondContact O-CD1 3.2Å; F119-Y123 VanDerWaalsContact O-CG 3.22Å; F119-Y123 PolarHBondContact O-N 3.49Å; F119-P157 HydrophobicContact CB-CB 3.98Å; F119-P157 HydrophobicContact CD1-CB 3.93Å; F119-P157 HydrophobicContact CD2-CB 3.33Å; F119-P157 HydrophobicContact CD2-CG 4.2Å; F119-P157 HydrophobicContact CE1-CB 4.29Å; F119-P157 HydrophobicContact CE2-CB 3.73Å; F119-P157 HydrophobicContact CE2-CG 4.34Å; F119-P157 HydrophobicContact CG-CB 3.45Å; F119-P157 VanDerWaalsContact CG-CB 3.45Å; F119-P157 HydrophobicContact CZ-CB 4.2Å; F119-H158 AromaticContact CE1-CD2 3.65Å; F119-H158 AromaticContact CE1-CE1 3.36Å; F119-H158 WeakPolarHBondContact CE1-CE1 3.33Å; F119-H158 AromaticContact CE1-CG 3.69Å; F119-H158 AromaticContact CE1-ND1 3.51Å; F119-H158 AromaticContact CE1-NE2 3.47Å; F119-H158 WeakPolarHBondContact CE1-NE2 3.18Å; F119-H158 AromaticContact CZ-CE1 3.26Å; F119-H158 WeakPolarHBondContact CZ-CE1 3.47Å; F119-H158 AromaticContact CZ-ND1 3.68Å; F119-H158 AromaticContact CZ-NE2 3.71Å; F119-E228 HydrophobicContact CE2-CG 3.92Å
120K93.5Very high95.4Very high132 Ų13256.5 Ų56.557%0.57427%0.272SS*.Hα-helixtrans-64.5-35177.5-62.7179.2179177.10111.3D118 H124D118-K120 PolarHBondContact O-N 3.49Å; D118-K120 WeakPolarHBondContact OD1-CB 3.37Å; D118-K120 WeakPolarHBondContact OD1-CG 3.35Å; D118-K120 PolarHBondContact OD1-N 2.77Å; K120-H124 PolarHBondContact O-CD2 3.49Å
121E94.2Very high95.5Very high123 Ų12356.5 Ų56.558%0.57527%0.272SS*.Hα-helixtrans-81.9-45.7174.3-64.8179.6-171.300111D118 F119D118-E121 PolarHBondContact O-N 3.1Å; D118-E121 VanDerWaalsContact O-N 3.08Å; F119-E121 VanDerWaalsContact C-N 3.27Å; F119-E121 PolarHBondContact O-N 3.34Å
122L95.9Very high95.5Very high1 Ų157.5 Ų57.51%0.00528%0.275CS..Hα-helixtrans-64.1-48.3-173.3-179.463.3000111.6R117 D118 F119 H124 T125 L126 I162 H164R117-L122 HydrophobicContact CB-CB 4.22Å; D118-L122 WeakPolarHBondContact O-CB 3.47Å; D118-L122 PolarHBondContact O-N 3.25Å; F119-L122 PolarHBondContact O-N 2.85Å; L122-H124 PolarHBondContact O-N 2.94Å; L122-T125 WeakPolarHBondContact O-CA 3.28Å; L122-T125 PolarHBondContact O-N 3.25Å; L122-T125 PolarHBondContact O-OG1 2.87Å; L122-L126 HydrophobicContact CD1-CD2 3.76Å; L122-L126 HydrophobicContact CG-CD2 3.91Å; L122-L126 HydrophobicContact CG-CG 4.32Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.27Å; L122-I162 HydrophobicContact CD2-CB 3.65Å; L122-I162 HydrophobicContact CD2-CD1 3.95Å; L122-I162 HydrophobicContact CD2-CG1 4.39Å; L122-I162 HydrophobicContact CD2-CG2 3.61Å; L122-H164 HydrophobicContact CD1-CB 3.97Å
123Y95.4Very high95.5Very high17 Ų1756.8 Ų56.87%0.06727%0.271CS..Hα-helixtrans-62.3-30.4-172-727.8000112.7F119 T125 L126 P157 I162 M223F119-Y123 HydrophobicContact CB-CD1 4.11Å; F119-Y123 HydrophobicContact CB-CD2 4.47Å; F119-Y123 HydrophobicContact CB-CE1 3.78Å; F119-Y123 HydrophobicContact CB-CE2 4.19Å; F119-Y123 HydrophobicContact CB-CG 4.44Å; F119-Y123 HydrophobicContact CD2-CD2 4.19Å; F119-Y123 HydrophobicContact CD2-CE2 4.1Å; F119-Y123 VanDerWaalsContact O-CB 3.23Å; F119-Y123 WeakPolarHBondContact O-CB 3.48Å; F119-Y123 WeakPolarHBondContact O-CD1 3.2Å; F119-Y123 VanDerWaalsContact O-CG 3.22Å; F119-Y123 PolarHBondContact O-N 3.49Å; Y123-T125 PolarHBondContact O-N 3.12Å; Y123-L126 HydrophobicContact CD1-CD1 4Å; Y123-P157 HydrophobicContact CE2-CB 3.72Å; Y123-P157 HydrophobicContact CE2-CG 3.84Å; Y123-P157 WeakPolarHBondContact OH-CB 3.35Å; Y123-I162 HydrophobicContact CE1-CD1 4.29Å; Y123-M223 HydrophobicContact CD1-CE 4.15Å; Y123-M223 HydrophobicContact CD2-CE 4.2Å; Y123-M223 HydrophobicContact CD2-CG 3.81Å; Y123-M223 HydrophobicContact CE1-CE 3.52Å; Y123-M223 HydrophobicContact CE2-CE 3.56Å; Y123-M223 HydrophobicContact CE2-CG 3.93Å; Y123-M223 HydrophobicContact CG-CE 4.47Å; Y123-M223 HydrophobicContact CG-CG 4.23Å; Y123-M223 VanDerWaalsContact OH-CE 3.32Å; Y123-M223 WeakPolarHBondContact OH-CE 3.47Å
124H93.4Very high95.6Very high116 Ų11654.4 Ų54.454%0.53726%0.26SS..Hα-helixtrans-71-20.8174.9-69.2-54.7000113.5K120 L122 R226K120-H124 PolarHBondContact O-CD2 3.49Å; L122-H124 PolarHBondContact O-N 2.94Å; H124-R226 PolarHBondContact O-NH2 2.76Å
125T95.4Very high95.8Very high77 Ų7753.2 Ų53.247%0.47225%0.252SS..Hα-helixtrans-94.5-13.6179.966.60000114L122 Y123L122-T125 WeakPolarHBondContact O-CA 3.28Å; L122-T125 PolarHBondContact O-N 3.25Å; L122-T125 PolarHBondContact O-OG1 2.87Å; Y123-T125 PolarHBondContact O-N 3.12Å
126L97.3Very high96Very high3 Ų347.7 Ų47.72%0.01623%0.226CC..  trans-69.7138.6-176.6-62.3-174.5000111.8L122 Y123 D130 I131 Y134L122-L126 HydrophobicContact CD1-CD2 3.76Å; L122-L126 HydrophobicContact CG-CD2 3.91Å; L122-L126 HydrophobicContact CG-CG 4.32Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.27Å; Y123-L126 HydrophobicContact CD1-CD1 4Å; L126-D130 HydrophobicContact CB-CB 4.04Å; L126-D130 HydrophobicContact CD2-CB 3.87Å; L126-D130 HydrophobicContact CG-CB 4.4Å; L126-I131 HydrophobicContact CB-CG1 4.02Å; L126-I131 HydrophobicContact CD1-CG1 4.29Å; L126-Y134 HydrophobicContact CD1-CD2 4.11Å; L126-Y134 HydrophobicContact CD2-CD2 4.29Å; L126-Y134 HydrophobicContact CD2-CE2 3.96Å
127T97.6Very high96.3Very high70 Ų7045 Ų4543%0.42921%0.212SC..  trans-80.5168167.3680000110.8Y129 D130 I131T127-Y129 PolarHBondContact O-N 2.97Å; T127-D130 WeakPolarHBondContact CB-OD2 3.45Å; T127-D130 PolarHBondContact N-OD2 2.86Å; T127-D130 VanDerWaalsContact N-OD2 3.1Å; T127-D130 PolarHBondContact O-N 3.21Å; T127-D130 VanDerWaalsContact O-N 3.13Å; T127-D130 VanDerWaalsContact OG1-CG 3.24Å; T127-D130 PolarHBondContact OG1-N 3.02Å; T127-D130 VanDerWaalsContact OG1-N 3.16Å; T127-D130 PolarHBondContact OG1-OD2 3.11Å; T127-I131 WeakPolarHBondContact O-CG1 3.4Å; T127-I131 PolarHBondContact O-N 3.14Å
128D98Very high96.7Very high38 Ų3840.4 Ų40.420%0.20320%0.195CC..Hα-helixtrans-55.4-42171.6172.954.8000111.5D130 I131 R132 L290 Y321D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.1Å; D128-I131 PolarHBondContact O-N 2.96Å; D128-R132 VanDerWaalsContact CG-NE 3.34Å; D128-R132 WeakPolarHBondContact O-CG 3.05Å; D128-R132 PolarHBondContact O-N 3.25Å; D128-R132 IonicContact OD1-CZ 2.72Å; D128-R132 IonicContact OD1-NE 3.81Å; D128-R132 PolarHBondContact OD1-NE 3.28Å; D128-R132 IonicContact OD1-NH2 2.69Å; D128-R132 PolarHBondContact OD1-NH2 3.13Å; D128-R132 IonicContact OD2-CZ 3.3Å; D128-R132 VanDerWaalsContact OD2-CZ 3.22Å; D128-R132 IonicContact OD2-NE 3.85Å; D128-R132 PolarHBondContact OD2-NE 2.87Å; D128-R132 IonicContact OD2-NH2 2.98Å; D128-R132 PolarHBondContact OD2-NH2 3.36Å; D128-L290 HydrophobicContact CB-CD2 4.33Å; D128-Y321 PolarHBondContact OD1-OH 3.05Å
129Y97.8Very high97Very high87 Ų8736.8 Ų36.834%0.34118%0.175SC..Hα-helixtrans-63.1-39.9177-177.8-91000112.2T127 R132 Y133 R167 I325 D328T127-Y129 PolarHBondContact O-N 2.97Å; Y129-R132 PolarHBondContact O-N 3.38Å; Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 2.53Å; Y129-R167 VanDerWaalsContact CE1-NH2 3.29Å; Y129-I325 HydrophobicContact CD2-CD1 4.01Å; Y129-I325 HydrophobicContact CE1-CD1 4.32Å; Y129-I325 HydrophobicContact CE2-CD1 3.52Å; Y129-D328 WeakPolarHBondContact CE2-OD2 3.46Å; Y129-D328 PolarHBondContact OH-OD2 3.25Å
130D97.9Very high97.1Very high14 Ų1437.8 Ų37.88%0.07518%0.179CC..Hα-helixtrans-66.3-39.5176.5-61.6-53.4000112.1L126 T127 D128 Y133 Y134 H164 R167L126-D130 HydrophobicContact CB-CB 4.04Å; L126-D130 HydrophobicContact CD2-CB 3.87Å; L126-D130 HydrophobicContact CG-CB 4.4Å; T127-D130 WeakPolarHBondContact CB-OD2 3.45Å; T127-D130 PolarHBondContact N-OD2 2.86Å; T127-D130 VanDerWaalsContact N-OD2 3.1Å; T127-D130 PolarHBondContact O-N 3.21Å; T127-D130 VanDerWaalsContact O-N 3.13Å; T127-D130 VanDerWaalsContact OG1-CG 3.24Å; T127-D130 PolarHBondContact OG1-N 3.02Å; T127-D130 VanDerWaalsContact OG1-N 3.16Å; T127-D130 PolarHBondContact OG1-OD2 3.11Å; D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.1Å; D130-Y133 PolarHBondContact O-N 3.13Å; D130-Y134 HydrophobicContact CB-CD2 4.34Å; D130-Y134 HydrophobicContact CB-CE2 4.17Å; D130-Y134 WeakPolarHBondContact O-CD2 3.46Å; D130-Y134 PolarHBondContact O-N 3.43Å; D130-H164 IonicContact OD1-CE1 3.26Å; D130-H164 IonicContact OD2-CE1 2.67Å; D130-R167 IonicContact OD1-CZ 3.45Å; D130-R167 IonicContact OD1-NH1 2.74Å; D130-R167 PolarHBondContact OD1-NH1 3.49Å; D130-R167 IonicContact OD1-NH2 3.05Å
131I98.5Very high97.4Very high0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-61.1-50174.1-65.5169.8000109.7L126 T127 D128 Y133 Y134 M135 F220 M223 I224 L290L126-I131 HydrophobicContact CB-CG1 4.02Å; L126-I131 HydrophobicContact CD1-CG1 4.29Å; T127-I131 WeakPolarHBondContact O-CG1 3.4Å; T127-I131 PolarHBondContact O-N 3.14Å; D128-I131 PolarHBondContact O-N 2.96Å; I131-Y133 VanDerWaalsContact C-N 3.26Å; I131-Y133 PolarHBondContact O-N 3.49Å; I131-Y134 PolarHBondContact O-N 3.35Å; I131-M135 HydrophobicContact CG2-CG 3.99Å; I131-M135 VanDerWaalsContact O-CB 3.26Å; I131-M135 WeakPolarHBondContact O-CB 3.37Å; I131-M135 WeakPolarHBondContact O-CG 3.47Å; I131-M135 PolarHBondContact O-N 3.06Å; I131-F220 HydrophobicContact CG2-CD2 3.98Å; I131-F220 HydrophobicContact CG2-CE2 3.78Å; I131-M223 HydrophobicContact CD1-CB 4.04Å; I131-M223 HydrophobicContact CG1-CB 4.26Å; I131-M223 HydrophobicContact CG1-SD 4.42Å; I131-M223 HydrophobicContact CG2-CB 4.27Å; I131-M223 HydrophobicContact CG2-SD 4Å; I131-I224 HydrophobicContact CD1-CG2 4.33Å; I131-I224 HydrophobicContact CG2-CG2 4.11Å; I131-L290 HydrophobicContact CD1-CB 4.4Å; I131-L290 HydrophobicContact CD1-CD1 4.07Å; I131-L290 HydrophobicContact CD1-CD2 4.05Å; I131-L290 HydrophobicContact CD1-CG 4.4Å
132R98.4Very high97.6Very high35 Ų3525.7 Ų25.713%0.13212%0.124CC..Hα-helixtrans-52.3-47.8174.9-71.5174.9-164-100.5-2.4111.1D128 Y129 F136 Y321 F322 I325D128-R132 VanDerWaalsContact CG-NE 3.34Å; D128-R132 WeakPolarHBondContact O-CG 3.05Å; D128-R132 PolarHBondContact O-N 3.25Å; D128-R132 IonicContact OD1-CZ 2.72Å; D128-R132 IonicContact OD1-NE 3.81Å; D128-R132 PolarHBondContact OD1-NE 3.28Å; D128-R132 IonicContact OD1-NH2 2.69Å; D128-R132 PolarHBondContact OD1-NH2 3.13Å; D128-R132 IonicContact OD2-CZ 3.3Å; D128-R132 VanDerWaalsContact OD2-CZ 3.22Å; D128-R132 IonicContact OD2-NE 3.85Å; D128-R132 PolarHBondContact OD2-NE 2.87Å; D128-R132 IonicContact OD2-NH2 2.98Å; D128-R132 PolarHBondContact OD2-NH2 3.36Å; Y129-R132 PolarHBondContact O-N 3.38Å; R132-F136 VanDerWaalsContact O-CB 3.25Å; R132-F136 WeakPolarHBondContact O-CB 3.26Å; R132-F136 PolarHBondContact O-N 3.01Å; R132-Y321 HydrophobicContact CB-CE1 4.29Å; R132-Y321 HydrophobicContact CG-CD1 4.15Å; R132-Y321 HydrophobicContact CG-CD2 4.46Å; R132-Y321 HydrophobicContact CG-CE1 3.53Å; R132-Y321 HydrophobicContact CG-CE2 3.83Å; R132-Y321 WeakPolarHBondContact CG-OH 3.41Å; R132-Y321 PolarHBondContact NH1-O 2.97Å; R132-F322 HydrophobicContact CB-CD1 4.46Å; R132-F322 WeakPolarHBondContact O-CD1 3.49Å; R132-F322 WeakPolarHBondContact O-CE1 3.4Å; R132-I325 HydrophobicContact CB-CD1 3.99Å; R132-I325 HydrophobicContact CB-CG1 3.8Å
133Y97.9Very high97.7Very high30 Ų3026.4 Ų26.412%0.11813%0.128CC..Hα-helixtrans-63.3-52-178.6-177.9-95.3000112.5Y129 D130 I131 M135 F136 E137 R167 I325Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 2.53Å; D130-Y133 PolarHBondContact O-N 3.13Å; I131-Y133 VanDerWaalsContact C-N 3.26Å; I131-Y133 PolarHBondContact O-N 3.49Å; Y133-M135 PolarHBondContact O-N 3.47Å; Y133-F136 WeakPolarHBondContact O-CB 3.42Å; Y133-F136 PolarHBondContact O-N 3.04Å; Y133-E137 HydrophobicContact CD1-CG 4.2Å; Y133-E137 HydrophobicContact CE1-CG 3.77Å; Y133-E137 HydrophobicContact CE2-CG 4.32Å; Y133-E137 WeakPolarHBondContact O-CG 3.39Å; Y133-E137 PolarHBondContact O-N 3.32Å; Y133-R167 VanDerWaalsContact CD1-NH2 3.29Å; Y133-R167 VanDerWaalsContact CD2-NH2 3.32Å; Y133-R167 HydrophobicContact CE1-CB 3.81Å; Y133-R167 WeakPolarHBondContact CE1-O 3.32Å; Y133-R167 PolarHBondContact OH-O 2.7Å; Y133-I325 HydrophobicContact CD2-CD1 4.33Å; Y133-I325 HydrophobicContact CD2-CG2 4.31Å
134Y98.2Very high97.8Very high2 Ų225.8 Ų25.81%0.00813%0.126CC..Hα-helixtrans-70.4-33.7-177.1-69-54.5000113.3L126 D130 I131 F136 E137 L138 I162 H164 L169L126-Y134 HydrophobicContact CD1-CD2 4.11Å; L126-Y134 HydrophobicContact CD2-CD2 4.29Å; L126-Y134 HydrophobicContact CD2-CE2 3.96Å; D130-Y134 HydrophobicContact CB-CD2 4.34Å; D130-Y134 HydrophobicContact CB-CE2 4.17Å; D130-Y134 WeakPolarHBondContact O-CD2 3.46Å; D130-Y134 PolarHBondContact O-N 3.43Å; I131-Y134 PolarHBondContact O-N 3.35Å; Y134-F136 VanDerWaalsContact C-N 3.33Å; Y134-E137 PolarHBondContact O-N 3.16Å; Y134-L138 VanDerWaalsContact O-CB 3.31Å; Y134-L138 WeakPolarHBondContact O-CB 3.27Å; Y134-L138 PolarHBondContact O-N 3.04Å; Y134-I162 HydrophobicContact CD1-CD1 3.97Å; Y134-I162 HydrophobicContact CD1-CG1 4.06Å; Y134-I162 HydrophobicContact CD1-CG2 4.02Å; Y134-I162 HydrophobicContact CD2-CD1 4.03Å; Y134-I162 HydrophobicContact CD2-CG2 4.46Å; Y134-I162 HydrophobicContact CE1-CB 4.44Å; Y134-I162 HydrophobicContact CE1-CD1 4.43Å; Y134-I162 HydrophobicContact CE1-CG1 4.28Å; Y134-I162 HydrophobicContact CE1-CG2 3.4Å; Y134-I162 HydrophobicContact CE2-CD1 4.48Å; Y134-I162 HydrophobicContact CE2-CG2 3.9Å; Y134-I162 HydrophobicContact CG-CD1 3.77Å; Y134-I162 HydrophobicContact CG-CG1 4.38Å; Y134-H164 AromaticContact CE2-ND1 3.61Å; Y134-H164 AromaticContact CZ-ND1 3.64Å; Y134-H164 WeakPolarHBondContact OH-CA 3.29Å; Y134-H164 PolarHBondContact OH-ND1 2.74Å; Y134-L169 HydrophobicContact CD1-CB 4.45Å; Y134-L169 HydrophobicContact CD1-CD1 4.09Å; Y134-L169 WeakPolarHBondContact O-CD1 3.34Å
135M98.7Very high98Very high2 Ų220.3 Ų20.31%0.0110%0.101CC..Hα-helixtrans-65.1-39.2172.2-68-55.8-54.500111.3I131 Y133 L138 L139 L216 V219 F220 M223 F322I131-M135 HydrophobicContact CG2-CG 3.99Å; I131-M135 VanDerWaalsContact O-CB 3.26Å; I131-M135 WeakPolarHBondContact O-CB 3.37Å; I131-M135 WeakPolarHBondContact O-CG 3.47Å; I131-M135 PolarHBondContact O-N 3.06Å; Y133-M135 PolarHBondContact O-N 3.47Å; M135-L138 PolarHBondContact O-N 3Å; M135-L139 WeakPolarHBondContact O-CB 3.42Å; M135-L139 WeakPolarHBondContact O-CG 3.38Å; M135-L139 PolarHBondContact O-N 3.47Å; M135-L216 HydrophobicContact CE-CD1 3.31Å; M135-L216 HydrophobicContact CE-CD2 4.24Å; M135-L216 HydrophobicContact CE-CG 3.49Å; M135-L216 VanDerWaalsContact CE-CG 3.49Å; M135-L216 HydrophobicContact SD-CD1 4.49Å; M135-V219 HydrophobicContact SD-CG1 4.27Å; M135-F220 HydrophobicContact CE-CB 3.62Å; M135-F220 HydrophobicContact CE-CD2 4.36Å; M135-F220 HydrophobicContact CE-CG 4.12Å; M135-F220 HydrophobicContact CG-CD2 3.87Å; M135-F220 HydrophobicContact CG-CE2 4.42Å; M135-F220 HydrophobicContact SD-CB 4.17Å; M135-F220 HydrophobicContact SD-CD2 4.31Å; M135-M223 HydrophobicContact CG-SD 4.23Å; M135-M223 HydrophobicContact SD-CE 4.18Å; M135-M223 HydrophobicContact SD-SD 3.8Å; M135-F322 HydrophobicContact CB-CE1 3.85Å; M135-F322 HydrophobicContact CB-CZ 3.96Å
136F98.3Very high98.2Very high0 Ų016.8 Ų16.80%08%0.079CC..Hα-helixtrans-65.1-45.6174-170.8-99.2000112.1R132 Y133 Y134 L138 L139 R140 M317 F322 I325 V326 I333R132-F136 VanDerWaalsContact O-CB 3.25Å; R132-F136 WeakPolarHBondContact O-CB 3.26Å; R132-F136 PolarHBondContact O-N 3.01Å; Y133-F136 WeakPolarHBondContact O-CB 3.42Å; Y133-F136 PolarHBondContact O-N 3.04Å; Y134-F136 VanDerWaalsContact C-N 3.33Å; F136-L138 VanDerWaalsContact C-N 3.31Å; F136-L138 PolarHBondContact O-N 3.32Å; F136-L139 WeakPolarHBondContact O-CB 3.32Å; F136-L139 PolarHBondContact O-N 2.95Å; F136-R140 HydrophobicContact CD1-CG 4.29Å; F136-R140 HydrophobicContact CE1-CG 4.15Å; F136-R140 WeakPolarHBondContact O-CG 3.38Å; F136-R140 PolarHBondContact O-N 3.47Å; F136-M317 HydrophobicContact CD2-CB 4.22Å; F136-M317 HydrophobicContact CD2-CG 4.05Å; F136-M317 HydrophobicContact CE2-CB 3.73Å; F136-M317 HydrophobicContact CE2-CG 3.9Å; F136-M317 HydrophobicContact CE2-SD 4.37Å; F136-M317 HydrophobicContact CZ-SD 4.47Å; F136-F322 HydrophobicContact CB-CD1 3.74Å; F136-F322 HydrophobicContact CB-CE1 3.95Å; F136-F322 HydrophobicContact CB-CG 4.4Å; F136-F322 HydrophobicContact CD2-CB 3.7Å; F136-F322 AromaticContact CD2-CD1 3.91Å; F136-F322 HydrophobicContact CD2-CD1 3.91Å; F136-F322 HydrophobicContact CD2-CD2 4.26Å; F136-F322 AromaticContact CD2-CG 3.69Å; F136-F322 HydrophobicContact CD2-CG 3.69Å; F136-F322 HydrophobicContact CE2-CB 4.13Å; F136-F322 HydrophobicContact CG-CD1 4.29Å; F136-I325 HydrophobicContact CB-CG2 4.06Å; F136-I325 HydrophobicContact CD1-CG2 3.59Å; F136-I325 HydrophobicContact CD2-CG2 4.43Å; F136-I325 HydrophobicContact CE1-CG2 4.06Å; F136-I325 HydrophobicContact CG-CB 4.46Å; F136-I325 HydrophobicContact CG-CG2 3.78Å; F136-V326 HydrophobicContact CE2-CG2 3.72Å; F136-V326 HydrophobicContact CZ-CG2 3.89Å; F136-I333 HydrophobicContact CZ-CG1 4.28Å; F136-I333 HydrophobicContact CZ-CG2 4.21Å
137E97.7Very high98.2Very high8 Ų817.8 Ų17.84%0.0379%0.086CC..Hα-helixtrans-65.7-33.6178.4-71.3-58.7107.500112.6N91 Y133 Y134 R140 A141 L169N91-E137 PolarHBondContact ND2-O 2.88Å; N91-E137 PolarHBondContact ND2-OE2 3.1Å; Y133-E137 HydrophobicContact CD1-CG 4.2Å; Y133-E137 HydrophobicContact CE1-CG 3.77Å; Y133-E137 HydrophobicContact CE2-CG 4.32Å; Y133-E137 WeakPolarHBondContact O-CG 3.39Å; Y133-E137 PolarHBondContact O-N 3.32Å; Y134-E137 PolarHBondContact O-N 3.16Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 VanDerWaalsContact OE1-CD 3.28Å; E137-R140 WeakPolarHBondContact OE1-CD 3.16Å; E137-R140 IonicContact OE1-CZ 3.09Å; E137-R140 IonicContact OE1-NE 2.82Å; E137-R140 IonicContact OE1-NH1 3.59Å; E137-R140 PolarHBondContact OE1-NH1 2.9Å; E137-R140 IonicContact OE2-NH1 2.99Å; E137-R140 PolarHBondContact OE2-NH1 2.82Å; E137-R140 VanDerWaalsContact OE2-NH1 3.09Å; E137-A141 PolarHBondContact O-N 3.1Å; E137-L169 HydrophobicContact CB-CB 4.05Å; E137-L169 HydrophobicContact CB-CD1 4.26Å
138L98.7Very high98.2Very high2 Ų215.1 Ų15.11%0.017%0.069CC..Hα-helixtrans-69.5-40.7172.1-178.453.5000111.6Y134 M135 F136 R140 A141 L142 V155 V160 L169 L171 L216Y134-L138 VanDerWaalsContact O-CB 3.31Å; Y134-L138 WeakPolarHBondContact O-CB 3.27Å; Y134-L138 PolarHBondContact O-N 3.04Å; M135-L138 PolarHBondContact O-N 3Å; F136-L138 VanDerWaalsContact C-N 3.31Å; F136-L138 PolarHBondContact O-N 3.32Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 2.61Å; L138-A141 WeakPolarHBondContact O-CB 3.47Å; L138-A141 PolarHBondContact O-N 3.17Å; L138-A141 VanDerWaalsContact O-N 3.17Å; L138-L142 WeakPolarHBondContact O-CG 3.33Å; L138-L142 PolarHBondContact O-N 2.97Å; L138-V155 HydrophobicContact CD2-CG1 4.14Å; L138-V160 HydrophobicContact CD1-CG2 4.2Å; L138-V160 HydrophobicContact CD2-CG2 3.84Å; L138-L169 HydrophobicContact CB-CD1 4.1Å; L138-L169 HydrophobicContact CB-CD2 4.35Å; L138-L169 HydrophobicContact CD1-CD2 4.39Å; L138-L171 HydrophobicContact CD1-CB 4.47Å; L138-L171 HydrophobicContact CD1-CD1 4.03Å; L138-L171 HydrophobicContact CD1-CD2 4.15Å; L138-L171 HydrophobicContact CD1-CG 4.46Å; L138-L216 HydrophobicContact CB-CD1 4.22Å; L138-L216 HydrophobicContact CD2-CD1 3.34Å; L138-L216 HydrophobicContact CG-CD1 3.58Å
139L98.7Very high98.2Very high1 Ų113.3 Ų13.31%0.0056%0.059CC..Hα-helixtrans-60.2-39.4172.2-80.6166.4000112.3M135 F136 A141 L142 D143 L213 L216 A313 A316 M317 F322M135-L139 WeakPolarHBondContact O-CB 3.42Å; M135-L139 WeakPolarHBondContact O-CG 3.38Å; M135-L139 PolarHBondContact O-N 3.47Å; F136-L139 WeakPolarHBondContact O-CB 3.32Å; F136-L139 PolarHBondContact O-N 2.95Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.8Å; L139-L142 PolarHBondContact O-N 3.35Å; L139-D143 WeakPolarHBondContact O-CB 3.46Å; L139-D143 PolarHBondContact O-N 2.83Å; L139-L213 HydrophobicContact CD2-CD1 3.82Å; L139-L216 HydrophobicContact CD1-CD2 4.43Å; L139-L216 HydrophobicContact CD2-CD2 3.29Å; L139-L216 HydrophobicContact CG-CD2 3.69Å; L139-A313 HydrophobicContact CD2-CB 4.14Å; L139-A316 HydrophobicContact CD1-CB 3.81Å; L139-A316 HydrophobicContact CD2-CB 3.6Å; L139-A316 HydrophobicContact CG-CB 4.38Å; L139-M317 HydrophobicContact CB-CG 3.52Å; L139-M317 HydrophobicContact CB-SD 4.1Å; L139-M317 HydrophobicContact CD1-CG 4.04Å; L139-M317 HydrophobicContact CG-CG 4.33Å; L139-F322 HydrophobicContact CD1-CD2 4.34Å; L139-F322 HydrophobicContact CD1-CE2 3.43Å; L139-F322 VanDerWaalsContact CD1-CE2 3.43Å; L139-F322 HydrophobicContact CD1-CZ 3.58Å
140R97.8Very high98.3Very high36 Ų369.1 Ų9.114%0.1364%0.043CC..Hα-helixtrans-61.9-39174-71.4177.769.5-152.6-3.3112.3T90 F136 E137 L138 A144 M317T90-R140 HydrophobicContact CG2-CB 4.23Å; F136-R140 HydrophobicContact CD1-CG 4.29Å; F136-R140 HydrophobicContact CE1-CG 4.15Å; F136-R140 WeakPolarHBondContact O-CG 3.38Å; F136-R140 PolarHBondContact O-N 3.47Å; E137-R140 PolarHBondContact O-N 3.44Å; E137-R140 VanDerWaalsContact OE1-CD 3.28Å; E137-R140 WeakPolarHBondContact OE1-CD 3.16Å; E137-R140 IonicContact OE1-CZ 3.09Å; E137-R140 IonicContact OE1-NE 2.82Å; E137-R140 IonicContact OE1-NH1 3.59Å; E137-R140 PolarHBondContact OE1-NH1 2.9Å; E137-R140 IonicContact OE2-NH1 2.99Å; E137-R140 PolarHBondContact OE2-NH1 2.82Å; E137-R140 VanDerWaalsContact OE2-NH1 3.09Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 2.61Å; R140-A144 VanDerWaalsContact O-CB 3.23Å; R140-A144 WeakPolarHBondContact O-CB 3.3Å; R140-A144 PolarHBondContact O-N 2.93Å; R140-M317 HydrophobicContact CB-SD 4.25Å; R140-M317 HydrophobicContact CG-SD 3.41Å; R140-M317 WeakPolarHBondContact CG-SD 3.32Å
141A98.4Very high98.3Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-62.8-44.8174.400000111.3T90 N91 E137 L138 L139 A144 C145 L171T90-A141 WeakPolarHBondContact O-CA 3.44Å; N91-A141 HydrophobicContact CB-CB 3.8Å; E137-A141 PolarHBondContact O-N 3.1Å; L138-A141 WeakPolarHBondContact O-CB 3.47Å; L138-A141 PolarHBondContact O-N 3.17Å; L138-A141 VanDerWaalsContact O-N 3.17Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.8Å; A141-A144 PolarHBondContact O-N 3.04Å; A141-C145 PolarHBondContact O-N 3.37Å; A141-C145 PolarHBondContact O-SG 3.23Å; A141-L171 HydrophobicContact CB-CB 4.27Å; A141-L171 HydrophobicContact CB-CD2 4.28Å
142L98.7Very high98.3Very high0 Ų08.5 Ų8.50%04%0.04CC..Hα-helixtrans-66.7-48.3179.5-67.2178.5000112L138 L139 A144 C145 H146 V155 L171 D212 L213 L216 A313L138-L142 WeakPolarHBondContact O-CG 3.33Å; L138-L142 PolarHBondContact O-N 2.97Å; L139-L142 PolarHBondContact O-N 3.35Å; L142-A144 VanDerWaalsContact C-N 3.27Å; L142-A144 PolarHBondContact O-N 3.09Å; L142-C145 PolarHBondContact O-N 2.93Å; L142-C145 PolarHBondContact O-SG 2.99Å; L142-H146 WeakPolarHBondContact O-CB 3.26Å; L142-H146 PolarHBondContact O-CD2 2.63Å; L142-H146 VanDerWaalsContact O-CD2 3.3Å; L142-H146 PolarHBondContact O-N 3.42Å; L142-H146 PolarHBondContact O-ND1 2.99Å; L142-V155 HydrophobicContact CD2-CG2 3.91Å; L142-L171 HydrophobicContact CD2-CD2 3.93Å; L142-D212 HydrophobicContact CD1-CB 4.27Å; L142-D212 HydrophobicContact CD2-CB 3.94Å; L142-L213 HydrophobicContact CD1-CD1 4.47Å; L142-L216 HydrophobicContact CD1-CB 4.41Å; L142-L216 HydrophobicContact CD1-CD1 4.26Å; L142-L216 HydrophobicContact CD1-CD2 4.4Å; L142-A313 HydrophobicContact CB-CB 4.13Å
143D98.3Very high98.3Very high17 Ų177 Ų79%0.0913%0.034CC..Hα-helixtrans-57.3-43.6176.7-166.453.9000111Y10 L139 S147 A313 R314 M317Y10-D143 PolarHBondContact OH-OD1 3.26Å; L139-D143 WeakPolarHBondContact O-CB 3.46Å; L139-D143 PolarHBondContact O-N 2.83Å; D143-S147 VanDerWaalsContact O-CB 3.29Å; D143-S147 WeakPolarHBondContact O-CB 3.26Å; D143-S147 PolarHBondContact O-N 3.42Å; D143-S147 PolarHBondContact O-OG 3.44Å; D143-A313 HydrophobicContact CB-CB 3.76Å; D143-R314 PolarHBondContact OD1-N 3.31Å; D143-R314 IonicContact OD2-NH1 3.75Å; D143-M317 HydrophobicContact CB-CE 3.52Å; D143-M317 WeakPolarHBondContact OD2-CE 3.47Å
144A97.9Very high98.3Very high4 Ų45.8 Ų5.83%0.0333%0.03CC..Hα-helixtrans-64.2-48.2179.200000112.3V89 R140 A141 L142 S147 M148V89-A144 HydrophobicContact CG1-CB 3.53Å; R140-A144 VanDerWaalsContact O-CB 3.23Å; R140-A144 WeakPolarHBondContact O-CB 3.3Å; R140-A144 PolarHBondContact O-N 2.93Å; A141-A144 PolarHBondContact O-N 3.04Å; L142-A144 VanDerWaalsContact C-N 3.27Å; L142-A144 PolarHBondContact O-N 3.09Å; A144-S147 PolarHBondContact O-N 3.05Å; A144-S147 PolarHBondContact O-OG 3.44Å; A144-M148 WeakPolarHBondContact O-CG 3.39Å; A144-M148 PolarHBondContact O-N 2.98Å
145C98.4Very high98.4Very high0 Ų05.7 Ų5.70%03%0.029CC..Hα-helixtrans-71.6-34178.672.10000113L86 A141 L142 M148 G149 I150 W174L86-C145 HydrophobicContact CD2-CB 3.8Å; A141-C145 PolarHBondContact O-N 3.37Å; A141-C145 PolarHBondContact O-SG 3.23Å; L142-C145 PolarHBondContact O-N 2.93Å; L142-C145 PolarHBondContact O-SG 2.99Å; C145-M148 CarbonylContact O-C 3.55Å; C145-M148 WeakPolarHBondContact O-CA 3.2Å; C145-M148 WeakPolarHBondContact O-CB 3.47Å; C145-M148 PolarHBondContact O-N 3.16Å; C145-M148 VanDerWaalsContact O-N 3.09Å; C145-G149 PolarHBondContact O-N 2.93Å; C145-I150 CarbonylContact C-O 3.22Å; C145-I150 PolarHBondContact O-N 3.2Å; C145-W174 HydrophobicContact CB-CH2 3.65Å; C145-W174 HydrophobicContact CB-CZ3 3.96Å
146H98.5Very high98.3Very high3 Ų36.9 Ų6.91%0.0143%0.034CC..Hα-helixtrans-65.2-40.5175.2-66.1174.8000111.3Y10 L142 M148 G149 I150 Y209 D212Y10-H146 VanDerWaalsContact CB-O 3.31Å; Y10-H146 WeakPolarHBondContact CB-O 3.36Å; Y10-H146 HydrophobicContact CD2-CB 3.86Å; Y10-H146 HydrophobicContact CE2-CB 4.19Å; L142-H146 WeakPolarHBondContact O-CB 3.26Å; L142-H146 PolarHBondContact O-CD2 2.63Å; L142-H146 VanDerWaalsContact O-CD2 3.3Å; L142-H146 PolarHBondContact O-N 3.42Å; L142-H146 PolarHBondContact O-ND1 2.99Å; H146-M148 PolarHBondContact O-N 3.35Å; H146-M148 VanDerWaalsContact O-N 3.13Å; H146-G149 PolarHBondContact O-N 2.98Å; H146-I150 PolarHBondContact CD2-O 3.48Å; H146-Y209 HydrophobicContact CB-CD1 3.84Å; H146-Y209 HydrophobicContact CB-CE1 4.26Å; H146-Y209 HydrophobicContact CB-CG 4.11Å; H146-Y209 AromaticContact CD2-CD1 3.54Å; H146-Y209 PolarHBondContact CE1-O 3.26Å; H146-Y209 AromaticContact CG-CD1 3.64Å; H146-Y209 AromaticContact CG-CG 3.89Å; H146-D212 IonicContact CD2-OD2 3.33Å; H146-D212 IonicContact CE1-OD2 3.98Å; H146-D212 IonicContact NE2-OD2 2.79Å; H146-D212 PolarHBondContact NE2-OD2 3.22Å
147S97.7Very high98.3Very high24 Ų247 Ų717%0.1684%0.035CC..Hα-helixtrans-63.3-17.5174.177.20000113.7D143 A144 Q338D143-S147 VanDerWaalsContact O-CB 3.29Å; D143-S147 WeakPolarHBondContact O-CB 3.26Å; D143-S147 PolarHBondContact O-N 3.42Å; D143-S147 PolarHBondContact O-OG 3.44Å; A144-S147 PolarHBondContact O-N 3.05Å; A144-S147 PolarHBondContact O-OG 3.44Å; S147-Q338 PolarHBondContact OG-NE2 3Å
148M98.1Very high98.2Very high14 Ų1411.4 Ų11.47%0.0696%0.055CC..THydrogen-bonded Turntrans-95.56.3173.9-66.4-178.270.100112.7Y21 N85 L86 V89 A144 C145 H146 I150Y21-M148 WeakPolarHBondContact CE1-O 3.45Å; Y21-M148 WeakPolarHBondContact OH-CB 3.41Å; Y21-M148 PolarHBondContact OH-O 3.27Å; N85-M148 WeakPolarHBondContact O-CE 3.48Å; L86-M148 HydrophobicContact CD2-CE 4.36Å; L86-M148 HydrophobicContact CD2-SD 3.95Å; V89-M148 HydrophobicContact CG1-SD 4.41Å; V89-M148 HydrophobicContact CG2-CE 4.14Å; V89-M148 HydrophobicContact CG2-SD 3.44Å; V89-M148 WeakPolarHBondContact CG2-SD 3.23Å; A144-M148 WeakPolarHBondContact O-CG 3.39Å; A144-M148 PolarHBondContact O-N 2.98Å; C145-M148 CarbonylContact O-C 3.55Å; C145-M148 WeakPolarHBondContact O-CA 3.2Å; C145-M148 WeakPolarHBondContact O-CB 3.47Å; C145-M148 PolarHBondContact O-N 3.16Å; C145-M148 VanDerWaalsContact O-N 3.09Å; H146-M148 PolarHBondContact O-N 3.35Å; H146-M148 VanDerWaalsContact O-N 3.13Å; M148-I150 HydrophobicContact CB-CD1 4.35Å
149G98.2Very high98.1Very high0 Ų011.6 Ų11.60%06%0.057CC..THydrogen-bonded Turntrans76.921.5178.300000113.9N14 C145 H146 F179 Y180 Y209N14-G149 PolarHBondContact ND2-O 3.47Å; C145-G149 PolarHBondContact O-N 2.93Å; H146-G149 PolarHBondContact O-N 2.98Å; G149-F179 CarbonylContact O-C 3.55Å; G149-F179 WeakPolarHBondContact O-CA 3.35Å; G149-Y180 PolarHBondContact O-N 2.9Å; G149-Y209 WeakPolarHBondContact CA-OH 3.48Å
150I98.8Very high98.1Very high0 Ų011.8 Ų11.80%06%0.058CC..EExtended strand (participates in β ladder)trans-118.5124.8-173.6-62.9164.3000110I82 N85 L86 C145 H146 M148 W174 A177 E178 F179I82-I150 HydrophobicContact CD1-CG2 4.37Å; I82-I150 HydrophobicContact CG1-CG2 4.45Å; I82-I150 HydrophobicContact CG2-CD1 4.36Å; I82-I150 HydrophobicContact CG2-CG2 3.83Å; N85-I150 HydrophobicContact CB-CD1 4.35Å; L86-I150 HydrophobicContact CD1-CD1 4.36Å; L86-I150 HydrophobicContact CD1-CG2 4.38Å; L86-I150 HydrophobicContact CD2-CD1 3.82Å; L86-I150 HydrophobicContact CG-CD1 3.91Å; C145-I150 CarbonylContact C-O 3.22Å; C145-I150 PolarHBondContact O-N 3.2Å; H146-I150 PolarHBondContact CD2-O 3.48Å; M148-I150 HydrophobicContact CB-CD1 4.35Å; I150-W174 HydrophobicContact CG2-CE3 4.25Å; I150-W174 HydrophobicContact CG2-CZ3 3.99Å; I150-A177 HydrophobicContact CG2-CB 4.37Å; I150-E178 CarbonylContact C-O 3.58Å; I150-E178 WeakPolarHBondContact CA-O 3.42Å; I150-F179 HydrophobicContact CD1-CD1 4.42Å; I150-F179 HydrophobicContact CD1-CE1 3.84Å; I150-F179 HydrophobicContact CG1-CD1 3.74Å; I150-F179 HydrophobicContact CG1-CE1 3.66Å
151M98.6Very high98.1Very high1 Ų111.6 Ų11.61%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-94.3140.4170.7-59175.3-70.500110.3R153 A177 E178 Y180 Y186 Y207 Y209M151-R153 HydrophobicContact CB-CG 3.81Å; M151-A177 CarbonylContact O-C 3.5Å; M151-A177 WeakPolarHBondContact O-CA 3.49Å; M151-A177 VanDerWaalsContact O-CB 3.22Å; M151-A177 WeakPolarHBondContact O-CB 3.48Å; M151-E178 HydrophobicContact CE-CB 4.14Å; M151-E178 PolarHBondContact N-O 3.32Å; M151-E178 PolarHBondContact O-N 3.16Å; M151-Y180 HydrophobicContact CE-CD2 4.12Å; M151-Y180 HydrophobicContact SD-CD2 3.99Å; M151-Y186 HydrophobicContact CE-CD1 4.34Å; M151-Y186 HydrophobicContact CE-CD2 4.35Å; M151-Y186 HydrophobicContact CE-CE1 4.02Å; M151-Y186 HydrophobicContact CE-CE2 4.07Å; M151-Y186 HydrophobicContact CE-CG 4.49Å; M151-Y207 HydrophobicContact SD-CD2 4.46Å; M151-Y209 HydrophobicContact CG-CD1 3.54Å; M151-Y209 HydrophobicContact CG-CE1 3.9Å; M151-Y209 HydrophobicContact CG-CG 4.41Å
152H98.7Very high98Very high0 Ų011.7 Ų11.70%06%0.059CC..  trans-79.1-45.6177.3-173.8-63.6000112.5D154 V155 L171 I172 D173 W174 L176 A177 D212H152-D154 VanDerWaalsContact C-N 3.27Å; H152-D154 PolarHBondContact CE1-O 3.09Å; H152-D154 PolarHBondContact ND1-N 3.12Å; H152-D154 VanDerWaalsContact ND1-N 3.16Å; H152-D154 PolarHBondContact O-N 3.14Å; H152-V155 HydrophobicContact CB-CG2 4.17Å; H152-L171 VanDerWaalsContact CD2-CD2 3.45Å; H152-L171 WeakPolarHBondContact CD2-CD2 3.45Å; H152-L171 VanDerWaalsContact CD2-CG 3.48Å; H152-L171 WeakPolarHBondContact CD2-CG 3.32Å; H152-I172 PolarHBondContact NE2-O 3.25Å; H152-D173 PolarHBondContact CE1-O 3.01Å; H152-W174 HydrophobicContact CB-CZ3 4.2Å; H152-W174 AromaticContact CD2-CD2 3.98Å; H152-W174 AromaticContact CD2-CE2 3.92Å; H152-W174 AromaticContact CD2-CE3 3.99Å; H152-W174 AromaticContact CD2-CH2 3.94Å; H152-W174 AromaticContact CD2-CZ2 3.91Å; H152-W174 AromaticContact CD2-CZ3 3.97Å; H152-L176 CarbonylContact O-C 3.48Å; H152-A177 WeakPolarHBondContact O-CA 3.46Å; H152-A177 PolarHBondContact O-N 3.05Å; H152-D212 PolarHBondContact N-OD2 3.18Å
153R98.5Very high97.9Very high3 Ų312.1 Ų12.11%0.0116%0.062CC..SBendtrans61.918.1178.6-46.7-167-63.3-168.1-12.4116.6M151 L176 A177 E178 V190 A191 Y207 L211 D212M151-R153 HydrophobicContact CB-CG 3.81Å; R153-L176 PolarHBondContact NE-O 2.72Å; R153-L176 PolarHBondContact NH2-O 3.39Å; R153-A177 PolarHBondContact NH2-O 3.41Å; R153-E178 IonicContact CZ-OE2 2.6Å; R153-E178 IonicContact NH1-OE2 2.79Å; R153-E178 IonicContact NH2-OE2 3.06Å; R153-E178 PolarHBondContact NH2-OE2 2.97Å; R153-V190 HydrophobicContact CB-CG2 4.26Å; R153-A191 VanDerWaalsContact O-CA 3.29Å; R153-A191 WeakPolarHBondContact O-CA 3.48Å; R153-A191 VanDerWaalsContact O-CB 3.32Å; R153-A191 WeakPolarHBondContact O-CB 3.17Å; R153-A191 PolarHBondContact O-N 3.02Å; R153-Y207 HydrophobicContact CG-CE2 4.41Å; R153-Y207 PolarHBondContact NH1-OH 3.28Å; R153-Y207 VanDerWaalsContact NH1-OH 3.14Å; R153-L211 HydrophobicContact CB-CD2 4.13Å; R153-L211 HydrophobicContact CG-CD2 4.11Å; R153-D212 WeakPolarHBondContact CA-OD1 3.17Å; R153-D212 PolarHBondContact N-OD1 3.32Å
154D98.1Very high97.8Very high5 Ų513.9 Ų13.93%0.0277%0.069CC..  trans-159.739176.8-160.332.6000112.5H152 K156 N159 L176 A191 S192H152-D154 VanDerWaalsContact C-N 3.27Å; H152-D154 PolarHBondContact CE1-O 3.09Å; H152-D154 PolarHBondContact ND1-N 3.12Å; H152-D154 VanDerWaalsContact ND1-N 3.16Å; H152-D154 PolarHBondContact O-N 3.14Å; D154-K156 PolarHBondContact O-N 3.1Å; D154-K156 IonicContact OD1-NZ 3.96Å; D154-K156 PolarHBondContact OD1-NZ 2.7Å; D154-K156 IonicContact OD2-NZ 3.33Å; D154-K156 PolarHBondContact OD2-NZ 3.28Å; D154-N159 PolarHBondContact O-ND2 2.55Å; D154-N159 PolarHBondContact OD2-ND2 2.85Å; D154-L176 HydrophobicContact CB-CB 4.33Å; D154-L176 HydrophobicContact CB-CD1 4.02Å; D154-A191 WeakPolarHBondContact OD1-CA 3.4Å; D154-S192 PolarHBondContact OD1-N 3.21Å; D154-S192 PolarHBondContact OD1-OG 3.29Å
155V98.8Very high97.7Very high0 Ų018.7 Ų18.70%010%0.102CC..  trans-65.5124.2173.21780000108.5L138 L142 H152 D212 S215 V219L138-V155 HydrophobicContact CD2-CG1 4.14Å; L142-V155 HydrophobicContact CD2-CG2 3.91Å; H152-V155 HydrophobicContact CB-CG2 4.17Å; V155-D212 HydrophobicContact CG2-CB 4.17Å; V155-S215 WeakPolarHBondContact O-CB 3.21Å; V155-V219 HydrophobicContact CG1-CG2 4.48Å
156K97.8Very high97.5Very high27 Ų2723.4 Ų23.412%0.11712%0.124CC..SBendtrans-164.6162.8179.468.8-162.2-175.4-153.30109.2D154 H158 N159 V160 S192 F195D154-K156 PolarHBondContact O-N 3.1Å; D154-K156 IonicContact OD1-NZ 3.96Å; D154-K156 PolarHBondContact OD1-NZ 2.7Å; D154-K156 IonicContact OD2-NZ 3.33Å; D154-K156 PolarHBondContact OD2-NZ 3.28Å; K156-H158 HydrophobicContact CD-CB 4.49Å; K156-H158 HydrophobicContact CG-CB 4.14Å; K156-H158 PolarHBondContact O-N 3.4Å; K156-H158 VanDerWaalsContact O-N 3.11Å; K156-N159 VanDerWaalsContact CE-ND2 3.35Å; K156-N159 WeakPolarHBondContact CE-ND2 3.5Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 4.15Å; K156-N159 PolarHBondContact O-N 2.77Å; K156-V160 PolarHBondContact O-N 3.45Å; K156-S192 WeakPolarHBondContact CD-OG 3.26Å; K156-S192 WeakPolarHBondContact CE-OG 3.2Å; K156-S192 PolarHBondContact NZ-OG 2.87Å; K156-F195 HydrophobicContact CB-CD1 4.21Å; K156-F195 HydrophobicContact CB-CD2 3.55Å; K156-F195 HydrophobicContact CB-CE1 4.34Å; K156-F195 HydrophobicContact CB-CE2 3.67Å; K156-F195 HydrophobicContact CB-CG 3.86Å; K156-F195 HydrophobicContact CB-CZ 4.09Å
157P97.6Very high97.3Very high1 Ų126.7 Ų26.71%0.00614%0.137CC..G310 helixtrans-56.4-35.6-176.1-29.539.8000113.8F119 Y123 N159 V160 F195 V219F119-P157 HydrophobicContact CB-CB 3.98Å; F119-P157 HydrophobicContact CD1-CB 3.93Å; F119-P157 HydrophobicContact CD2-CB 3.33Å; F119-P157 HydrophobicContact CD2-CG 4.2Å; F119-P157 HydrophobicContact CE1-CB 4.29Å; F119-P157 HydrophobicContact CE2-CB 3.73Å; F119-P157 HydrophobicContact CE2-CG 4.34Å; F119-P157 HydrophobicContact CG-CB 3.45Å; F119-P157 VanDerWaalsContact CG-CB 3.45Å; F119-P157 HydrophobicContact CZ-CB 4.2Å; Y123-P157 HydrophobicContact CE2-CB 3.72Å; Y123-P157 HydrophobicContact CE2-CG 3.84Å; Y123-P157 WeakPolarHBondContact OH-CB 3.35Å; P157-N159 PolarHBondContact O-N 2.84Å; P157-V160 PolarHBondContact O-N 3.25Å; P157-F195 VanDerWaalsContact CD-CE1 3.49Å; P157-F195 HydrophobicContact CG-CE1 4.22Å; P157-F195 HydrophobicContact CG-CZ 3.95Å; P157-V219 HydrophobicContact CG-CG2 4.21Å
158H95.6Very high97.2Very high101 Ų10130.3 Ų30.347%0.46815%0.149SC..G310 helixtrans-64.9-21.5178-60.573.5000113.9F119 K156 M161F119-H158 AromaticContact CE1-CD2 3.65Å; F119-H158 AromaticContact CE1-CE1 3.36Å; F119-H158 WeakPolarHBondContact CE1-CE1 3.33Å; F119-H158 AromaticContact CE1-CG 3.69Å; F119-H158 AromaticContact CE1-ND1 3.51Å; F119-H158 AromaticContact CE1-NE2 3.47Å; F119-H158 WeakPolarHBondContact CE1-NE2 3.18Å; F119-H158 AromaticContact CZ-CE1 3.26Å; F119-H158 WeakPolarHBondContact CZ-CE1 3.47Å; F119-H158 AromaticContact CZ-ND1 3.68Å; F119-H158 AromaticContact CZ-NE2 3.71Å; K156-H158 HydrophobicContact CD-CB 4.49Å; K156-H158 HydrophobicContact CG-CB 4.14Å; K156-H158 PolarHBondContact O-N 3.4Å; K156-H158 VanDerWaalsContact O-N 3.11Å; H158-M161 WeakPolarHBondContact O-CE 3.42Å
159N97.3Very high97.2Very high7 Ų729.6 Ų29.64%0.03715%0.146CC..G310 helixtrans-102.86.5-179.6-70.4-5.8000112.3D154 K156 P157 L171 I172D154-N159 PolarHBondContact O-ND2 2.55Å; D154-N159 PolarHBondContact OD2-ND2 2.85Å; K156-N159 VanDerWaalsContact CE-ND2 3.35Å; K156-N159 WeakPolarHBondContact CE-ND2 3.5Å; K156-N159 WeakPolarHBondContact CE-OD1 3.45Å; K156-N159 HydrophobicContact CG-CB 4.15Å; K156-N159 PolarHBondContact O-N 2.77Å; P157-N159 PolarHBondContact O-N 2.84Å; N159-L171 WeakPolarHBondContact O-CD1 3.27Å; N159-I172 HydrophobicContact CB-CG1 4.14Å; N159-I172 VanDerWaalsContact O-CG1 3.28Å; N159-I172 WeakPolarHBondContact O-CG1 3.43Å; N159-I172 PolarHBondContact O-N 2.92Å
160V98Very high97.2Very high5 Ų532.1 Ų32.13%0.0316%0.155CC..EExtended strand (participates in β ladder)trans-113.298178.6-1790000108L138 K156 P157 I162 L169 L171L138-V160 HydrophobicContact CD1-CG2 4.2Å; L138-V160 HydrophobicContact CD2-CG2 3.84Å; K156-V160 PolarHBondContact O-N 3.45Å; P157-V160 PolarHBondContact O-N 3.25Å; V160-I162 HydrophobicContact CG1-CD1 4.22Å; V160-I162 HydrophobicContact CG1-CG1 4.12Å; V160-L169 HydrophobicContact CG1-CD1 3.59Å; V160-L169 HydrophobicContact CG1-CD2 4.4Å; V160-L169 HydrophobicContact CG1-CG 3.93Å; V160-L171 HydrophobicContact CG2-CD1 4.41Å
161M97.3Very high97.2Very high31 Ų3132.1 Ų32.115%0.15316%0.155CC..EExtended strand (participates in β ladder)trans-82.3127.1177.6-59.3-63.492.800109.6V114 N116 H158 L169 R170 I172V114-M161 HydrophobicContact CB-CB 4.42Å; V114-M161 HydrophobicContact CG1-CB 3.93Å; N116-M161 HydrophobicContact CB-CB 4.35Å; N116-M161 HydrophobicContact CB-SD 3.82Å; N116-M161 VanDerWaalsContact CG-SD 3.55Å; N116-M161 WeakPolarHBondContact OD1-CA 3.34Å; H158-M161 WeakPolarHBondContact O-CE 3.42Å; M161-L169 CarbonylContact O-C 3.48Å; M161-L169 WeakPolarHBondContact O-CA 3.27Å; M161-R170 HydrophobicContact CB-CB 4.28Å; M161-R170 PolarHBondContact N-O 2.98Å; M161-R170 PolarHBondContact O-N 3.19Å; M161-I172 HydrophobicContact CE-CD1 3.77Å; M161-I172 HydrophobicContact CE-CG1 4.35Å; M161-I172 HydrophobicContact CG-CD1 3.89Å; M161-I172 HydrophobicContact CG-CG1 4.12Å; M161-I172 HydrophobicContact CG-CG2 3.62Å; M161-I172 HydrophobicContact SD-CD1 3.93Å
162I97.7Very high97.2Very high2 Ų233.9 Ų33.91%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-123.4115.7179.6-64.6170.9000109.5N116 R117 L122 Y123 Y134 V160 H164 K168 L169N116-I162 PolarHBondContact OD1-N 3.26Å; N116-I162 PolarHBondContact OD1-O 3.4Å; R117-I162 PolarHBondContact N-O 3.17Å; L122-I162 HydrophobicContact CD2-CB 3.65Å; L122-I162 HydrophobicContact CD2-CD1 3.95Å; L122-I162 HydrophobicContact CD2-CG1 4.39Å; L122-I162 HydrophobicContact CD2-CG2 3.61Å; Y123-I162 HydrophobicContact CE1-CD1 4.29Å; Y134-I162 HydrophobicContact CD1-CD1 3.97Å; Y134-I162 HydrophobicContact CD1-CG1 4.06Å; Y134-I162 HydrophobicContact CD1-CG2 4.02Å; Y134-I162 HydrophobicContact CD2-CD1 4.03Å; Y134-I162 HydrophobicContact CD2-CG2 4.46Å; Y134-I162 HydrophobicContact CE1-CB 4.44Å; Y134-I162 HydrophobicContact CE1-CD1 4.43Å; Y134-I162 HydrophobicContact CE1-CG1 4.28Å; Y134-I162 HydrophobicContact CE1-CG2 3.4Å; Y134-I162 HydrophobicContact CE2-CD1 4.48Å; Y134-I162 HydrophobicContact CE2-CG2 3.9Å; Y134-I162 HydrophobicContact CG-CD1 3.77Å; Y134-I162 HydrophobicContact CG-CG1 4.38Å; V160-I162 HydrophobicContact CG1-CD1 4.22Å; V160-I162 HydrophobicContact CG1-CG1 4.12Å; I162-H164 HydrophobicContact CG2-CB 4.26Å; I162-H164 PolarHBondContact O-N 3.31Å; I162-K168 WeakPolarHBondContact CA-O 3.42Å; I162-L169 HydrophobicContact CG1-CD1 4.25Å; I162-L169 HydrophobicContact CG1-CG 4.49Å
163N96Very high97Very high10 Ų1036.2 Ų36.25%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-88.197.7160.4-173.5-34.3000107.7E115 S165 Q166 R167 K168E115-N163 VanDerWaalsContact O-CA 3.29Å; E115-N163 WeakPolarHBondContact O-CA 3.41Å; E115-N163 WeakPolarHBondContact O-CB 3.43Å; E115-N163 PolarHBondContact OE2-ND2 2.84Å; N163-S165 PolarHBondContact OD1-N 3.11Å; N163-S165 PolarHBondContact OD1-OG 3.38Å; N163-Q166 HydrophobicContact CB-CB 4.36Å; N163-Q166 PolarHBondContact O-N 3.49Å; N163-Q166 PolarHBondContact OD1-N 2.89Å; N163-R167 WeakPolarHBondContact O-CA 3.36Å; N163-R167 PolarHBondContact O-N 3.39Å; N163-K168 HydrophobicContact CB-CB 4.3Å; N163-K168 PolarHBondContact N-O 3.44Å; N163-K168 PolarHBondContact O-N 2.74Å
164H96.1Very high97Very high54 Ų5436.1 Ų36.125%0.2518%0.177CC..THydrogen-bonded Turntrans-69-39.4-173.6-172.560.1000113L122 D130 Y134 I162 Q166 R167L122-H164 HydrophobicContact CD1-CB 3.97Å; D130-H164 IonicContact OD1-CE1 3.26Å; D130-H164 IonicContact OD2-CE1 2.67Å; Y134-H164 AromaticContact CE2-ND1 3.61Å; Y134-H164 AromaticContact CZ-ND1 3.64Å; Y134-H164 WeakPolarHBondContact OH-CA 3.29Å; Y134-H164 PolarHBondContact OH-ND1 2.74Å; I162-H164 HydrophobicContact CG2-CB 4.26Å; I162-H164 PolarHBondContact O-N 3.31Å; H164-Q166 VanDerWaalsContact C-N 3.27Å; H164-Q166 PolarHBondContact O-N 2.86Å; H164-R167 PolarHBondContact O-N 2.72Å; H164-R167 VanDerWaalsContact O-N 3.17Å
165S95Very high96.9Very high104 Ų10436.6 Ų36.673%0.72718%0.182SC*.THydrogen-bonded Turntrans-65.6-31.4179.756.70000112.5N163N163-S165 PolarHBondContact OD1-N 3.11Å; N163-S165 PolarHBondContact OD1-OG 3.38Å
166Q95.2Very high96.8Very high100 Ų10037.7 Ų37.747%0.46719%0.188SC..THydrogen-bonded Turntrans-95.8-0.6176.1-60.9-171.4-5.600114N163 H164 K168N163-Q166 HydrophobicContact CB-CB 4.36Å; N163-Q166 PolarHBondContact O-N 3.49Å; N163-Q166 PolarHBondContact OD1-N 2.89Å; H164-Q166 VanDerWaalsContact C-N 3.27Å; H164-Q166 PolarHBondContact O-N 2.86Å; Q166-K168 HydrophobicContact CB-CD 4.16Å; Q166-K168 HydrophobicContact CB-CG 4.1Å; Q166-K168 PolarHBondContact O-N 3.27Å
167R94.9Very high96.8Very high72 Ų7236.4 Ų36.427%0.27218%0.182SC..THydrogen-bonded Turntrans5038.1-171.3-57.6-168.669.880.9-2.7113.6Y129 D130 Y133 N163 H164Y129-R167 VanDerWaalsContact CE1-NH2 3.29Å; D130-R167 IonicContact OD1-CZ 3.45Å; D130-R167 IonicContact OD1-NH1 2.74Å; D130-R167 PolarHBondContact OD1-NH1 3.49Å; D130-R167 IonicContact OD1-NH2 3.05Å; Y133-R167 VanDerWaalsContact CD1-NH2 3.29Å; Y133-R167 VanDerWaalsContact CD2-NH2 3.32Å; Y133-R167 HydrophobicContact CE1-CB 3.81Å; Y133-R167 WeakPolarHBondContact CE1-O 3.32Å; Y133-R167 PolarHBondContact OH-O 2.7Å; N163-R167 WeakPolarHBondContact O-CA 3.36Å; N163-R167 PolarHBondContact O-N 3.39Å; H164-R167 PolarHBondContact O-N 2.72Å; H164-R167 VanDerWaalsContact O-N 3.17Å
168K95.7Very high96.8Very high99 Ų9936.9 Ų36.943%0.4319%0.185SC..EExtended strand (participates in β ladder)trans-104.2140.8178.7-68177.8-175.31640111.5I162 N163 Q166I162-K168 WeakPolarHBondContact CA-O 3.42Å; N163-K168 HydrophobicContact CB-CB 4.3Å; N163-K168 PolarHBondContact N-O 3.44Å; N163-K168 PolarHBondContact O-N 2.74Å; Q166-K168 HydrophobicContact CB-CD 4.16Å; Q166-K168 HydrophobicContact CB-CG 4.1Å; Q166-K168 PolarHBondContact O-N 3.27Å
169L97.5Very high97Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-119.7140.4172.4-174.4146.7000110.3N91 Y134 E137 L138 V160 M161 I162N91-L169 HydrophobicContact CB-CD2 4.18Å; Y134-L169 HydrophobicContact CD1-CB 4.45Å; Y134-L169 HydrophobicContact CD1-CD1 4.09Å; Y134-L169 WeakPolarHBondContact O-CD1 3.34Å; E137-L169 HydrophobicContact CB-CB 4.05Å; E137-L169 HydrophobicContact CB-CD1 4.26Å; L138-L169 HydrophobicContact CB-CD1 4.1Å; L138-L169 HydrophobicContact CB-CD2 4.35Å; L138-L169 HydrophobicContact CD1-CD2 4.39Å; V160-L169 HydrophobicContact CG1-CD1 3.59Å; V160-L169 HydrophobicContact CG1-CD2 4.4Å; V160-L169 HydrophobicContact CG1-CG 3.93Å; M161-L169 CarbonylContact O-C 3.48Å; M161-L169 WeakPolarHBondContact O-CA 3.27Å; I162-L169 HydrophobicContact CG1-CD1 4.25Å; I162-L169 HydrophobicContact CG1-CG 4.49Å
170R98.2Very high97Very high52 Ų5232 Ų3220%0.19616%0.162CC..EExtended strand (participates in β ladder)trans-132.9124.8169.8-68.3-67.8-173.5-90.90.5110.3N91 V92 I93 E112 V114 M161N91-R170 CarbonylContact O-C 3.55Å; N91-R170 WeakPolarHBondContact O-CA 3.1Å; V92-R170 WeakPolarHBondContact O-CD 3.39Å; I93-R170 HydrophobicContact CD1-CB 4.29Å; I93-R170 HydrophobicContact CD1-CG 4.41Å; E112-R170 IonicContact OE1-NE 3.96Å; E112-R170 PolarHBondContact OE1-NE 2.86Å; E112-R170 IonicContact OE2-NE 3.9Å; E112-R170 IonicContact OE2-NH2 2.63Å; V114-R170 HydrophobicContact CG2-CB 4.25Å; V114-R170 HydrophobicContact CG2-CG 3.87Å; M161-R170 HydrophobicContact CB-CB 4.28Å; M161-R170 PolarHBondContact N-O 2.98Å; M161-R170 PolarHBondContact O-N 3.19Å
171L98.7Very high97Very high0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-83.6122.1168.5-175.757.7000109.4N91 I93 L138 A141 L142 H152 N159 V160 W174N91-L171 PolarHBondContact O-N 3.48Å; I93-L171 PolarHBondContact N-O 3.32Å; L138-L171 HydrophobicContact CD1-CB 4.47Å; L138-L171 HydrophobicContact CD1-CD1 4.03Å; L138-L171 HydrophobicContact CD1-CD2 4.15Å; L138-L171 HydrophobicContact CD1-CG 4.46Å; A141-L171 HydrophobicContact CB-CB 4.27Å; A141-L171 HydrophobicContact CB-CD2 4.28Å; L142-L171 HydrophobicContact CD2-CD2 3.93Å; H152-L171 VanDerWaalsContact CD2-CD2 3.45Å; H152-L171 WeakPolarHBondContact CD2-CD2 3.45Å; H152-L171 VanDerWaalsContact CD2-CG 3.48Å; H152-L171 WeakPolarHBondContact CD2-CG 3.32Å; N159-L171 WeakPolarHBondContact O-CD1 3.27Å; V160-L171 HydrophobicContact CG2-CD1 4.41Å; L171-W174 HydrophobicContact CB-CZ2 4.38Å; L171-W174 HydrophobicContact CD2-CH2 4.11Å; L171-W174 HydrophobicContact CD2-CZ2 3.91Å; L171-W174 HydrophobicContact CG-CZ2 4.02Å; L171-W174 PolarHBondContact O-NE1 2.85Å
172I97.8Very high96.9Very high38 Ų3833.2 Ų33.220%0.19517%0.17CC..  trans-117.2175.1-174.466.1159.7000112I93 H152 N159 M161I93-I172 HydrophobicContact CB-CG2 3.77Å; I93-I172 HydrophobicContact CD1-CG2 4Å; I93-I172 HydrophobicContact CG1-CG2 3.97Å; I93-I172 HydrophobicContact CG2-CB 4.33Å; I93-I172 HydrophobicContact CG2-CG2 4.09Å; H152-I172 PolarHBondContact NE2-O 3.25Å; N159-I172 HydrophobicContact CB-CG1 4.14Å; N159-I172 VanDerWaalsContact O-CG1 3.28Å; N159-I172 WeakPolarHBondContact O-CG1 3.43Å; N159-I172 PolarHBondContact O-N 2.92Å; M161-I172 HydrophobicContact CE-CD1 3.77Å; M161-I172 HydrophobicContact CE-CG1 4.35Å; M161-I172 HydrophobicContact CG-CD1 3.89Å; M161-I172 HydrophobicContact CG-CG1 4.12Å; M161-I172 HydrophobicContact CG-CG2 3.62Å; M161-I172 HydrophobicContact SD-CD1 3.93Å
173D96.1Very high96.8Very high50 Ų5035.6 Ų35.627%0.26720%0.195SC..  trans61.569.1174.2-162.516.9000115.4K66 H152 G175K66-D173 IonicContact NZ-OD1 3.99Å; K66-D173 PolarHBondContact NZ-OD1 3.08Å; H152-D173 PolarHBondContact CE1-O 3.01Å; D173-G175 PolarHBondContact O-N 3.26Å
174W97.6Very high96.8Very high1 Ų138.7 Ų38.70%0.00421%0.209CC..G310 helixtrans-83.413.1177.8-61.680000113.7I82 L83 L86 V92 C145 I150 H152 L171 L176 A177I82-W174 HydrophobicContact CG2-CB 4.26Å; I82-W174 HydrophobicContact CG2-CD2 4.42Å; I82-W174 HydrophobicContact CG2-CE3 3.92Å; L83-W174 HydrophobicContact CD2-CB 4.02Å; L83-W174 VanDerWaalsContact CD2-CD1 3.46Å; L83-W174 HydrophobicContact CD2-CG 3.81Å; L83-W174 HydrophobicContact CG-CB 4.17Å; L83-W174 HydrophobicContact CG-CG 4.46Å; L86-W174 HydrophobicContact CD1-CD2 3.68Å; L86-W174 HydrophobicContact CD1-CE3 3.37Å; L86-W174 HydrophobicContact CD1-CH2 3.53Å; L86-W174 HydrophobicContact CD1-CZ2 3.82Å; L86-W174 HydrophobicContact CD1-CZ3 3.31Å; V92-W174 HydrophobicContact CB-CZ2 4.23Å; V92-W174 HydrophobicContact CG1-CZ2 3.54Å; V92-W174 HydrophobicContact CG2-CH2 4.22Å; V92-W174 HydrophobicContact CG2-CZ2 3.73Å; C145-W174 HydrophobicContact CB-CH2 3.65Å; C145-W174 HydrophobicContact CB-CZ3 3.96Å; I150-W174 HydrophobicContact CG2-CE3 4.25Å; I150-W174 HydrophobicContact CG2-CZ3 3.99Å; H152-W174 HydrophobicContact CB-CZ3 4.2Å; H152-W174 AromaticContact CD2-CD2 3.98Å; H152-W174 AromaticContact CD2-CE2 3.92Å; H152-W174 AromaticContact CD2-CE3 3.99Å; H152-W174 AromaticContact CD2-CH2 3.94Å; H152-W174 AromaticContact CD2-CZ2 3.91Å; H152-W174 AromaticContact CD2-CZ3 3.97Å; L171-W174 HydrophobicContact CB-CZ2 4.38Å; L171-W174 HydrophobicContact CD2-CH2 4.11Å; L171-W174 HydrophobicContact CD2-CZ2 3.91Å; L171-W174 HydrophobicContact CG-CZ2 4.02Å; L171-W174 PolarHBondContact O-NE1 2.85Å; W174-L176 PolarHBondContact O-N 3.16Å; W174-A177 HydrophobicContact CB-CB 4.12Å; W174-A177 HydrophobicContact CE3-CB 3.76Å; W174-A177 WeakPolarHBondContact O-CB 3.19Å; W174-A177 PolarHBondContact O-N 3.19Å
175G95.7Very high96.8Very high14 Ų1442 Ų4214%0.14422%0.224CC..G310 helixtrans-65.6-22.6-177.200000114.3R78 E79 D173R78-G175 PolarHBondContact NH2-O 2.9Å; E79-G175 PolarHBondContact OE1-N 2.92Å; E79-G175 WeakPolarHBondContact OE2-CA 3.28Å; D173-G175 PolarHBondContact O-N 3.26Å
176L96.7Very high96.9Very high23 Ų2337.5 Ų37.512%0.1219%0.191CC..G310 helixtrans-98.5-2.7172.7-61.8-172.1000113.6Y48 H152 R153 D154 W174 V190Y48-L176 HydrophobicContact CE2-CD2 4.34Å; H152-L176 CarbonylContact O-C 3.48Å; R153-L176 PolarHBondContact NE-O 2.72Å; R153-L176 PolarHBondContact NH2-O 3.39Å; D154-L176 HydrophobicContact CB-CB 4.33Å; D154-L176 HydrophobicContact CB-CD1 4.02Å; W174-L176 PolarHBondContact O-N 3.16Å; L176-V190 HydrophobicContact CD1-CB 4.38Å
177A98.3Very high97Very high0 Ų037.3 Ų37.30%019%0.194CC..  trans-63.3164.3-179.400000112.8R78 I82 I150 M151 H152 R153 W174R78-A177 WeakPolarHBondContact CD-O 3.04Å; R78-A177 PolarHBondContact NE-O 3.24Å; I82-A177 HydrophobicContact CD1-CB 3.64Å; I82-A177 HydrophobicContact CG2-CB 4.1Å; I150-A177 HydrophobicContact CG2-CB 4.37Å; M151-A177 CarbonylContact O-C 3.5Å; M151-A177 WeakPolarHBondContact O-CA 3.49Å; M151-A177 VanDerWaalsContact O-CB 3.22Å; M151-A177 WeakPolarHBondContact O-CB 3.48Å; H152-A177 WeakPolarHBondContact O-CA 3.46Å; H152-A177 PolarHBondContact O-N 3.05Å; R153-A177 PolarHBondContact NH2-O 3.41Å; W174-A177 HydrophobicContact CB-CB 4.12Å; W174-A177 HydrophobicContact CE3-CB 3.76Å; W174-A177 WeakPolarHBondContact O-CB 3.19Å; W174-A177 PolarHBondContact O-N 3.19Å
178E98.1Very high97.1Very high12 Ų1234.3 Ų34.36%0.05618%0.184CC..EExtended strand (participates in β ladder)trans-152.9153.1177.7-158.661.4-104.300112.2Y24 R78 I150 M151 R153 Y186Y24-E178 VanDerWaalsContact CE1-OE1 3.27Å; Y24-E178 WeakPolarHBondContact CE1-OE1 3.37Å; Y24-E178 PolarHBondContact OH-OE1 3.36Å; R78-E178 WeakPolarHBondContact CD-OE1 3.16Å; R78-E178 WeakPolarHBondContact CD-OE2 3.27Å; R78-E178 IonicContact CZ-OE2 3.1Å; R78-E178 IonicContact NE-OE2 3.34Å; R78-E178 IonicContact NH1-OE2 3.26Å; R78-E178 PolarHBondContact NH1-OE2 3.4Å; I150-E178 CarbonylContact C-O 3.58Å; I150-E178 WeakPolarHBondContact CA-O 3.42Å; M151-E178 HydrophobicContact CE-CB 4.14Å; M151-E178 PolarHBondContact N-O 3.32Å; M151-E178 PolarHBondContact O-N 3.16Å; R153-E178 IonicContact CZ-OE2 2.6Å; R153-E178 IonicContact NH1-OE2 2.79Å; R153-E178 IonicContact NH2-OE2 3.06Å; R153-E178 PolarHBondContact NH2-OE2 2.97Å; E178-Y186 HydrophobicContact CG-CD1 3.87Å; E178-Y186 HydrophobicContact CG-CE1 3.8Å
179F98.3Very high97.1Very high2 Ų236.3 Ų36.31%0.00919%0.188CC..EExtended strand (participates in β ladder)trans-74.4125.6163.3-64-77.4000110.4Y21 W22 Y24 K81 I82 N85 G149 I150Y21-F179 HydrophobicContact CD1-CD1 4.35Å; Y21-F179 HydrophobicContact CD1-CE1 4.05Å; Y21-F179 HydrophobicContact CE1-CD1 4.03Å; Y21-F179 AromaticContact CE1-CE1 3.68Å; Y21-F179 HydrophobicContact CE1-CE1 3.68Å; Y21-F179 WeakPolarHBondContact O-CZ 3.39Å; W22-F179 HydrophobicContact CB-CB 3.97Å; W22-F179 HydrophobicContact CB-CD1 3.78Å; W22-F179 HydrophobicContact CB-CD2 3.96Å; W22-F179 HydrophobicContact CB-CE1 4.25Å; W22-F179 HydrophobicContact CB-CE2 4.41Å; W22-F179 HydrophobicContact CB-CG 3.61Å; Y24-F179 AromaticContact CD1-CD2 3.84Å; Y24-F179 HydrophobicContact CD1-CD2 3.84Å; Y24-F179 AromaticContact CD1-CE2 3.89Å; Y24-F179 HydrophobicContact CD1-CE2 3.89Å; Y24-F179 HydrophobicContact CE1-CD2 4.02Å; Y24-F179 HydrophobicContact CE1-CE2 4.49Å; K81-F179 HydrophobicContact CG-CE2 4.27Å; K81-F179 HydrophobicContact CG-CZ 4.18Å; I82-F179 HydrophobicContact CD1-CD2 4.47Å; I82-F179 HydrophobicContact CD1-CE2 4.23Å; I82-F179 HydrophobicContact CG1-CD2 4.21Å; I82-F179 HydrophobicContact CG1-CE1 4.31Å; I82-F179 HydrophobicContact CG1-CE2 3.54Å; I82-F179 HydrophobicContact CG1-CZ 3.6Å; N85-F179 WeakPolarHBondContact ND2-CE1 3.31Å; N85-F179 WeakPolarHBondContact ND2-CZ 3.18Å; G149-F179 CarbonylContact O-C 3.55Å; G149-F179 WeakPolarHBondContact O-CA 3.35Å; I150-F179 HydrophobicContact CD1-CD1 4.42Å; I150-F179 HydrophobicContact CD1-CE1 3.84Å; I150-F179 HydrophobicContact CG1-CD1 3.74Å; I150-F179 HydrophobicContact CG1-CE1 3.66Å
180Y98.4Very high97Very high4 Ų436.8 Ų36.82%0.01619%0.191CC..  trans-82.1123.8175.6173.7-90.5000111.2A7 A11 N14 G149 M151 P182 Y186 D208 Y209A7-Y180 HydrophobicContact CB-CD1 4.49Å; A7-Y180 HydrophobicContact CB-CE1 3.76Å; A7-Y180 HydrophobicContact CB-CE2 4.26Å; A7-Y180 PolarHBondContact N-OH 3.22Å; A11-Y180 HydrophobicContact CB-CE1 4.37Å; A11-Y180 WeakPolarHBondContact O-CE1 3.37Å; N14-Y180 PolarHBondContact ND2-N 3.44Å; N14-Y180 PolarHBondContact ND2-O 3.27Å; G149-Y180 PolarHBondContact O-N 2.9Å; M151-Y180 HydrophobicContact CE-CD2 4.12Å; M151-Y180 HydrophobicContact SD-CD2 3.99Å; Y180-P182 HydrophobicContact CE1-CB 4.35Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.44Å; Y180-Y186 HydrophobicContact CD2-CE2 4.23Å; Y180-D208 HydrophobicContact CD2-CB 3.99Å; Y180-D208 HydrophobicContact CE2-CB 3.51Å; Y180-Y209 AromaticContact CD1-CE2 3.95Å; Y180-Y209 HydrophobicContact CD1-CE2 3.95Å; Y180-Y209 AromaticContact CD1-CZ 3.71Å; Y180-Y209 VanDerWaalsContact CD1-OH 3.31Å; Y180-Y209 WeakPolarHBondContact CD1-OH 3.43Å; Y180-Y209 HydrophobicContact CE1-CE2 4.42Å; Y180-Y209 HydrophobicContact CG-CE1 4.2Å; Y180-Y209 HydrophobicContact CG-CE2 4.2Å; Y180-Y209 AromaticContact CG-CZ 3.78Å
181H97.6Very high96.9Very high24 Ų2435 Ų3511%0.11119%0.188CC..  trans-118.6136.9165.3-59.3-89000110.1N14 W22 Q184 Y186N14-H181 VanDerWaalsContact CB-CE1 3.44Å; N14-H181 WeakPolarHBondContact CB-CE1 3.41Å; W22-H181 AromaticContact CD2-CE1 3.51Å; W22-H181 AromaticContact CD2-NE2 3.79Å; W22-H181 AromaticContact CE2-CE1 3.79Å; W22-H181 AromaticContact CE3-CE1 3.8Å; W22-H181 AromaticContact CE3-NE2 3.76Å; W22-H181 AromaticContact CG-CE1 3.73Å; W22-H181 AromaticContact CG-NE2 3.96Å; H181-Q184 HydrophobicContact CB-CB 4.05Å; H181-Q184 PolarHBondContact CD2-OE1 2.71Å; H181-Q184 VanDerWaalsContact CD2-OE1 3.25Å; H181-Q184 WeakPolarHBondContact O-CB 3.42Å; H181-Q184 PolarHBondContact O-N 3.21Å; H181-Y186 PolarHBondContact N-OH 3.06Å; H181-Y186 PolarHBondContact O-OH 3.25Å
182P96.2Very high96.8Very high37 Ų3736.6 Ų36.624%0.2420%0.199CC..THydrogen-bonded Turntrans-68138.7179.628.3-32.7000111.1K6 A11 L15 Y180 Q184K6-P182 HydrophobicContact CD-CB 4.43Å; K6-P182 HydrophobicContact CG-CB 4.2Å; A11-P182 WeakPolarHBondContact O-CD 3.25Å; L15-P182 HydrophobicContact CD1-CG 3.63Å; L15-P182 HydrophobicContact CG-CG 4.2Å; Y180-P182 HydrophobicContact CE1-CB 4.35Å; P182-Q184 PolarHBondContact O-N 2.77Å
183G94.3Very high96.8Very high51 Ų5139.1 Ų39.153%0.52621%0.206SC..THydrogen-bonded Turntrans73.51.5-178.800000115.2
184Q95.8Very high96.9Very high75 Ų7540 Ų4035%0.3521%0.206SC..  trans-80.4139.2176.1176.8170.3-25.300111.4H181 P182 Y186H181-Q184 HydrophobicContact CB-CB 4.05Å; H181-Q184 PolarHBondContact CD2-OE1 2.71Å; H181-Q184 VanDerWaalsContact CD2-OE1 3.25Å; H181-Q184 WeakPolarHBondContact O-CB 3.42Å; H181-Q184 PolarHBondContact O-N 3.21Å; P182-Q184 PolarHBondContact O-N 2.77Å; Q184-Y186 HydrophobicContact CB-CE1 4.4Å; Q184-Y186 HydrophobicContact CB-CE2 4.3Å; Q184-Y186 HydrophobicContact CG-CD1 4.41Å; Q184-Y186 HydrophobicContact CG-CE1 3.9Å; Q184-Y186 HydrophobicContact CG-CE2 4.48Å; Q184-Y186 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y186 VanDerWaalsContact O-CE2 3.27Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.23Å
185E96.8Very high96.9Very high124 Ų12440.3 Ų40.358%0.57921%0.207SC*.  trans-82.5133169.7-67.9178.6170.700111.2Q205 M206E185-Q205 HydrophobicContact CB-CB 4.05Å; E185-Q205 HydrophobicContact CG-CB 4.17Å; E185-Q205 PolarHBondContact OE2-OE1 2.66Å; E185-M206 HydrophobicContact CG-CG 4.21Å
186Y97.2Very high97.1Very high9 Ų940.1 Ų40.14%0.03520%0.202CC..  trans-116.6156.4176.5-55.9-77.2000112M151 E178 Y180 H181 Q184 V188 Q205 Y207M151-Y186 HydrophobicContact CE-CD1 4.34Å; M151-Y186 HydrophobicContact CE-CD2 4.35Å; M151-Y186 HydrophobicContact CE-CE1 4.02Å; M151-Y186 HydrophobicContact CE-CE2 4.07Å; M151-Y186 HydrophobicContact CE-CG 4.49Å; E178-Y186 HydrophobicContact CG-CD1 3.87Å; E178-Y186 HydrophobicContact CG-CE1 3.8Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.44Å; Y180-Y186 HydrophobicContact CD2-CE2 4.23Å; H181-Y186 PolarHBondContact N-OH 3.06Å; H181-Y186 PolarHBondContact O-OH 3.25Å; Q184-Y186 HydrophobicContact CB-CE1 4.4Å; Q184-Y186 HydrophobicContact CB-CE2 4.3Å; Q184-Y186 HydrophobicContact CG-CD1 4.41Å; Q184-Y186 HydrophobicContact CG-CE1 3.9Å; Q184-Y186 HydrophobicContact CG-CE2 4.48Å; Q184-Y186 WeakPolarHBondContact O-CD2 3.46Å; Q184-Y186 VanDerWaalsContact O-CE2 3.27Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.23Å; Y186-V188 PolarHBondContact O-N 2.67Å; Y186-Q205 PolarHBondContact N-O 3.16Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.49Å; Y186-Y207 HydrophobicContact CD2-CE2 4.42Å; Y186-Y207 WeakPolarHBondContact CE2-O 3.46Å; Y186-Y207 HydrophobicContact CG-CE2 4.44Å
187N96.6Very high97.2Very high97 Ų9739 Ų3952%0.51920%0.197SC..  trans-71116.7178-170.4-28.3000111.6R189 V190 Y207N187-R189 VanDerWaalsContact C-N 3.26Å; N187-R189 PolarHBondContact O-N 2.85Å; N187-R189 WeakPolarHBondContact OD1-CA 3.09Å; N187-R189 VanDerWaalsContact OD1-CB 3.23Å; N187-R189 WeakPolarHBondContact OD1-CB 3.36Å; N187-R189 PolarHBondContact OD1-N 2.84Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; N187-V190 WeakPolarHBondContact O-CG2 3.45Å; N187-Y207 PolarHBondContact O-OH 2.94Å
188V97.1Very high97.2Very high9 Ų939 Ų396%0.05520%0.197CC..SBendtrans-72.6-12.6178-65.10000114.6Y186 V190 K196 L200 D203 Y204 Q205 Y207Y186-V188 PolarHBondContact O-N 2.67Å; V188-V190 PolarHBondContact O-N 3.41Å; V188-K196 PolarHBondContact O-NZ 2.62Å; V188-L200 HydrophobicContact CB-CD2 4.3Å; V188-L200 HydrophobicContact CG1-CD2 4.34Å; V188-D203 HydrophobicContact CG2-CB 4.36Å; V188-D203 VanDerWaalsContact CG2-OD1 3.28Å; V188-D203 WeakPolarHBondContact CG2-OD1 3.31Å; V188-Y204 VanDerWaalsContact CG1-O 3.31Å; V188-Y204 WeakPolarHBondContact CG1-O 3.45Å; V188-Q205 HydrophobicContact CG1-CG 3.94Å; V188-Y207 HydrophobicContact CG1-CE1 4.17Å
189R96.2Very high97.2Very high140 Ų14038.4 Ų38.453%0.52819%0.194SC..SBendtrans-83.347.3176.8-50.8-62179.5-150.9-3.8111.6N187 D203N187-R189 VanDerWaalsContact C-N 3.26Å; N187-R189 PolarHBondContact O-N 2.85Å; N187-R189 WeakPolarHBondContact OD1-CA 3.09Å; N187-R189 VanDerWaalsContact OD1-CB 3.23Å; N187-R189 WeakPolarHBondContact OD1-CB 3.36Å; N187-R189 PolarHBondContact OD1-N 2.84Å; R189-D203 IonicContact CZ-OD1 3.95Å; R189-D203 IonicContact CZ-OD2 3.99Å; R189-D203 IonicContact NH1-OD1 3.32Å; R189-D203 PolarHBondContact NH1-OD1 3.5Å; R189-D203 IonicContact NH1-OD2 3.8Å; R189-D203 IonicContact NH2-OD1 3.06Å; R189-D203 PolarHBondContact NH2-OD1 3.22Å; R189-D203 IonicContact NH2-OD2 3.49Å; R189-D203 PolarHBondContact NH2-OD2 2.88Å; R189-D203 VanDerWaalsContact NH2-OD2 3.1Å
190V96Very high97.2Very high11 Ų1138.3 Ų38.37%0.06719%0.194CC..  trans-119-179.7174-62.80000111.1R153 L176 N187 V188 K196 L200R153-V190 HydrophobicContact CB-CG2 4.26Å; L176-V190 HydrophobicContact CD1-CB 4.38Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; N187-V190 WeakPolarHBondContact O-CG2 3.45Å; V188-V190 PolarHBondContact O-N 3.41Å; V190-K196 WeakPolarHBondContact O-CE 3.42Å; V190-K196 PolarHBondContact O-NZ 2.72Å; V190-L200 HydrophobicContact CG2-CD1 3.94Å; V190-L200 HydrophobicContact CG2-CD2 4.13Å
191A95.6Very high97.2Very high14 Ų1438.6 Ų38.612%0.11620%0.195CC..SBendtrans61.3152.7-176.400000115.8R153 D154 K196 L200R153-A191 VanDerWaalsContact O-CA 3.29Å; R153-A191 WeakPolarHBondContact O-CA 3.48Å; R153-A191 VanDerWaalsContact O-CB 3.32Å; R153-A191 WeakPolarHBondContact O-CB 3.17Å; R153-A191 PolarHBondContact O-N 3.02Å; D154-A191 WeakPolarHBondContact OD1-CA 3.4Å; A191-K196 HydrophobicContact CB-CG 3.97Å; A191-L200 HydrophobicContact CB-CD1 3.79Å
192S96.2Very high97.2Very high34 Ų3437.9 Ų37.924%0.23819%0.193CC..  trans-75.2135.5171.7-58.90000110.4D154 K156 Y194 F195 K196D154-S192 PolarHBondContact OD1-N 3.21Å; D154-S192 PolarHBondContact OD1-OG 3.29Å; K156-S192 WeakPolarHBondContact CD-OG 3.26Å; K156-S192 WeakPolarHBondContact CE-OG 3.2Å; K156-S192 PolarHBondContact NZ-OG 2.87Å; S192-Y194 VanDerWaalsContact C-N 3.31Å; S192-Y194 PolarHBondContact O-N 2.83Å; S192-Y194 VanDerWaalsContact O-N 3.1Å; S192-F195 PolarHBondContact O-N 3.32Å; S192-K196 PolarHBondContact O-N 3.43Å
193R97.8Very high97.3Very high90 Ų9039.1 Ų39.134%0.3420%0.197SC..G310 helixtrans-47.1-49.5-165.5-175.9-168.9-63.3164.8-7.1114.1F195 K196 G233 H234 D235 Q239R193-F195 PolarHBondContact O-N 2.85Å; R193-F195 VanDerWaalsContact O-N 3.15Å; R193-K196 WeakPolarHBondContact O-CB 3.38Å; R193-K196 PolarHBondContact O-N 2.88Å; R193-G233 WeakPolarHBondContact CD-O 3.48Å; R193-G233 PolarHBondContact NH1-O 2.87Å; R193-H234 PolarHBondContact NH1-O 3.33Å; R193-H234 PolarHBondContact NH2-O 3.25Å; R193-D235 VanDerWaalsContact CZ-CA 3.46Å; R193-Q239 HydrophobicContact CG-CB 4.17Å; R193-Q239 HydrophobicContact CG-CG 4.23Å; R193-Q239 WeakPolarHBondContact O-CG 3.35Å
194Y98.5Very high97.4Very high69 Ų6936.8 Ų36.827%0.27117%0.172SC..G310 helixtrans-67.8-13.7-174.1-53.6-47.8000114.5S192 P229 F231 H232 G233 Q239S192-Y194 VanDerWaalsContact C-N 3.31Å; S192-Y194 PolarHBondContact O-N 2.83Å; S192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-P229 HydrophobicContact CD1-CB 4.39Å; Y194-P229 HydrophobicContact CD1-CG 3.95Å; Y194-P229 HydrophobicContact CD2-CB 3.91Å; Y194-P229 HydrophobicContact CD2-CG 3.6Å; Y194-P229 HydrophobicContact CE1-CG 4.26Å; Y194-P229 HydrophobicContact CE2-CG 3.95Å; Y194-P229 HydrophobicContact CG-CB 3.72Å; Y194-P229 HydrophobicContact CG-CG 3.6Å; Y194-F231 WeakPolarHBondContact CD1-O 3.25Å; Y194-H232 AromaticContact CE1-CD2 3.79Å; Y194-H232 AromaticContact CZ-CD2 3.72Å; Y194-H232 AromaticContact CZ-NE2 3.78Å; Y194-H232 PolarHBondContact OH-NE2 3.03Å; Y194-G233 WeakPolarHBondContact CE1-O 3.46Å; Y194-Q239 PolarHBondContact O-NE2 3.32Å
195F98.5Very high97.5Very high7 Ų736.9 Ų36.93%0.03117%0.173CC..G310 helixtrans-114.53.8-179-54.1-85.9000112K156 P157 S192 R193 G197 S215 C218 V219 E228K156-F195 HydrophobicContact CB-CD1 4.21Å; K156-F195 HydrophobicContact CB-CD2 3.55Å; K156-F195 HydrophobicContact CB-CE1 4.34Å; K156-F195 HydrophobicContact CB-CE2 3.67Å; K156-F195 HydrophobicContact CB-CG 3.86Å; K156-F195 HydrophobicContact CB-CZ 4.09Å; P157-F195 VanDerWaalsContact CD-CE1 3.49Å; P157-F195 HydrophobicContact CG-CE1 4.22Å; P157-F195 HydrophobicContact CG-CZ 3.95Å; S192-F195 PolarHBondContact O-N 3.32Å; R193-F195 PolarHBondContact O-N 2.85Å; R193-F195 VanDerWaalsContact O-N 3.15Å; F195-G197 PolarHBondContact O-N 2.81Å; F195-S215 PolarHBondContact O-OG 3Å; F195-S215 VanDerWaalsContact O-OG 3.04Å; F195-C218 HydrophobicContact CD1-CB 3.65Å; F195-C218 HydrophobicContact CE1-CB 4.16Å; F195-V219 HydrophobicContact CD1-CG2 4.06Å; F195-V219 HydrophobicContact CE1-CG2 3.85Å; F195-E228 WeakPolarHBondContact CZ-OE1 3.37Å
196K98.6Very high97.4Very high10 Ų1032.2 Ų32.24%0.04315%0.151CC..  trans-64.1128.4178-79.6178.6166.4-77.50110.9V188 V190 A191 S192 R193 L200 L201 W214V188-K196 PolarHBondContact O-NZ 2.62Å; V190-K196 WeakPolarHBondContact O-CE 3.42Å; V190-K196 PolarHBondContact O-NZ 2.72Å; A191-K196 HydrophobicContact CB-CG 3.97Å; S192-K196 PolarHBondContact O-N 3.43Å; R193-K196 WeakPolarHBondContact O-CB 3.38Å; R193-K196 PolarHBondContact O-N 2.88Å; K196-L200 HydrophobicContact CB-CB 4.45Å; K196-L200 HydrophobicContact CB-CD1 4.39Å; K196-L200 HydrophobicContact CG-CD1 4.13Å; K196-L201 HydrophobicContact CB-CD1 4.47Å; K196-L201 HydrophobicContact CB-CD2 3.91Å; K196-L201 HydrophobicContact CB-CG 4.1Å; K196-L201 HydrophobicContact CD-CD2 3.74Å; K196-L201 HydrophobicContact CG-CD2 4.5Å; K196-W214 PolarHBondContact O-NE1 3.3Å
197G98.3Very high97.4Very high0 Ų031.8 Ų31.80%015%0.15CC..  trans-64.4152.4168.600000112.9F195 E199 L200 L201F195-G197 PolarHBondContact O-N 2.81Å; G197-E199 PolarHBondContact O-N 3.25Å; G197-L200 WeakPolarHBondContact O-CB 3.14Å; G197-L200 PolarHBondContact O-N 2.79Å; G197-L201 PolarHBondContact O-N 2.87Å
198P98.6Very high97.5Very high0 Ų027.6 Ų27.60%013%0.127CC..Hα-helixtrans-47.7-43.9175-29.634000113.1L200 L201 V202 W214 Y255 Y305P198-L200 PolarHBondContact O-N 3.32Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 3.42Å; P198-V202 WeakPolarHBondContact O-CG2 3.31Å; P198-V202 PolarHBondContact O-N 2.89Å; P198-W214 VanDerWaalsContact CD-CD2 3.43Å; P198-W214 VanDerWaalsContact CD-CE3 3.46Å; P198-W214 HydrophobicContact CG-CD2 4.31Å; P198-W214 HydrophobicContact CG-CE3 3.92Å; P198-W214 HydrophobicContact CG-CH2 3.64Å; P198-W214 HydrophobicContact CG-CZ2 4.06Å; P198-W214 HydrophobicContact CG-CZ3 3.56Å; P198-Y255 HydrophobicContact CB-CE1 4.46Å; P198-Y305 HydrophobicContact CB-CD1 3.89Å; P198-Y305 HydrophobicContact CB-CE1 4.49Å; P198-Y305 HydrophobicContact CG-CD1 3.75Å; P198-Y305 HydrophobicContact CG-CE1 4.26Å
199E98.4Very high97.6Very high0 Ų027.5 Ų27.50%013%0.126CC..Hα-helixtrans-52.8-38.6176.957.3-88.3-151.700112.8G197 L201 D203 Y204 Y207 L211 R310G197-E199 PolarHBondContact O-N 3.25Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-D203 PolarHBondContact O-N 3.08Å; E199-Y204 HydrophobicContact CB-CD1 4.02Å; E199-Y204 PolarHBondContact O-N 2.69Å; E199-Y207 HydrophobicContact CG-CG 4.39Å; E199-L211 HydrophobicContact CG-CD1 4.23Å; E199-L211 WeakPolarHBondContact OE1-CA 3.19Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.41Å; E199-R310 IonicContact OE1-CZ 3.95Å; E199-R310 IonicContact OE1-NH1 2.89Å; E199-R310 PolarHBondContact OE1-NH1 2.85Å; E199-R310 IonicContact OE1-NH2 2.62Å; E199-R310 IonicContact OE2-CZ 3.76Å; E199-R310 IonicContact OE2-NH1 2.85Å; E199-R310 PolarHBondContact OE2-NH1 2.8Å; E199-R310 IonicContact OE2-NH2 3.75Å; E199-R310 PolarHBondContact OE2-NH2 3.42Å
200L98.5Very high97.7Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-76.7-23.1177.6-56.1-173.4000113.1V188 V190 A191 K196 G197 P198 Y207 L211V188-L200 HydrophobicContact CB-CD2 4.3Å; V188-L200 HydrophobicContact CG1-CD2 4.34Å; V190-L200 HydrophobicContact CG2-CD1 3.94Å; V190-L200 HydrophobicContact CG2-CD2 4.13Å; A191-L200 HydrophobicContact CB-CD1 3.79Å; K196-L200 HydrophobicContact CB-CB 4.45Å; K196-L200 HydrophobicContact CB-CD1 4.39Å; K196-L200 HydrophobicContact CG-CD1 4.13Å; G197-L200 WeakPolarHBondContact O-CB 3.14Å; G197-L200 PolarHBondContact O-N 2.79Å; P198-L200 PolarHBondContact O-N 3.32Å; L200-Y207 HydrophobicContact CD2-CD1 3.87Å; L200-Y207 HydrophobicContact CD2-CE1 3.6Å; L200-Y207 HydrophobicContact CD2-CE2 4.43Å; L200-Y207 HydrophobicContact CD2-CG 4.39Å; L200-L211 HydrophobicContact CD1-CD1 3.67Å; L200-L211 HydrophobicContact CD1-CD2 4.01Å; L200-L211 HydrophobicContact CD1-CG 4.46Å; L200-L211 HydrophobicContact CD2-CD1 4.34Å; L200-L211 HydrophobicContact CD2-CD2 4.09Å; L200-L211 HydrophobicContact CG-CD1 3.73Å; L200-L211 HydrophobicContact CG-CD2 4.27Å
201L98.5Very high97.8Very high9 Ų920.8 Ų20.85%0.04710%0.101CC..Hα-helixtrans-88.7-24.6-177.5-61.5173000111.9K196 G197 P198 E199 N236 Q239 L240 I243K196-L201 HydrophobicContact CB-CD1 4.47Å; K196-L201 HydrophobicContact CB-CD2 3.91Å; K196-L201 HydrophobicContact CB-CG 4.1Å; K196-L201 HydrophobicContact CD-CD2 3.74Å; K196-L201 HydrophobicContact CG-CD2 4.5Å; G197-L201 PolarHBondContact O-N 2.87Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 3.42Å; E199-L201 VanDerWaalsContact C-N 3.35Å; L201-N236 HydrophobicContact CD2-CB 3.99Å; L201-Q239 HydrophobicContact CD1-CB 4.32Å; L201-Q239 HydrophobicContact CD1-CG 3.86Å; L201-Q239 HydrophobicContact CD2-CB 4.13Å; L201-Q239 HydrophobicContact CD2-CG 4.13Å; L201-L240 HydrophobicContact CB-CB 4.2Å; L201-L240 HydrophobicContact CB-CD1 4.28Å; L201-L240 HydrophobicContact CD1-CB 4.13Å; L201-L240 HydrophobicContact CD1-CD1 4.23Å; L201-I243 HydrophobicContact CD1-CD1 3.49Å; L201-I243 VanDerWaalsContact CD1-CD1 3.49Å
202V97.9Very high98Very high10 Ų1020.1 Ų20.16%0.06110%0.096CC..THydrogen-bonded Turntrans-100.313174.3-510000112.4P198 Y204 L240 Y255 L256 I261 L263P198-V202 WeakPolarHBondContact O-CG2 3.31Å; P198-V202 PolarHBondContact O-N 2.89Å; V202-Y204 VanDerWaalsContact C-N 3.26Å; V202-Y204 PolarHBondContact O-N 2.88Å; V202-L240 HydrophobicContact CG1-CD1 4.45Å; V202-L240 HydrophobicContact CG1-CD2 3.76Å; V202-Y255 HydrophobicContact CG2-CE1 4.15Å; V202-L256 HydrophobicContact CB-CD2 4.06Å; V202-L256 HydrophobicContact CG1-CD2 3.99Å; V202-L256 HydrophobicContact CG2-CD2 4.22Å; V202-I261 HydrophobicContact CB-CG2 4.03Å; V202-I261 HydrophobicContact CG2-CD1 3.97Å; V202-I261 HydrophobicContact CG2-CG2 3.9Å; V202-L263 HydrophobicContact CB-CD1 4.05Å; V202-L263 HydrophobicContact CG1-CD1 3.68Å
203D97.1Very high98.1Very high62 Ų6218.6 Ų18.633%0.3329%0.085SC..THydrogen-bonded Turntrans55.931.7178.4-71.3-30.3000114.5V188 R189 E199V188-D203 HydrophobicContact CG2-CB 4.36Å; V188-D203 VanDerWaalsContact CG2-OD1 3.28Å; V188-D203 WeakPolarHBondContact CG2-OD1 3.31Å; R189-D203 IonicContact CZ-OD1 3.95Å; R189-D203 IonicContact CZ-OD2 3.99Å; R189-D203 IonicContact NH1-OD1 3.32Å; R189-D203 PolarHBondContact NH1-OD1 3.5Å; R189-D203 IonicContact NH1-OD2 3.8Å; R189-D203 IonicContact NH2-OD1 3.06Å; R189-D203 PolarHBondContact NH2-OD1 3.22Å; R189-D203 IonicContact NH2-OD2 3.49Å; R189-D203 PolarHBondContact NH2-OD2 2.88Å; R189-D203 VanDerWaalsContact NH2-OD2 3.1Å; E199-D203 PolarHBondContact O-N 3.08Å
204Y97.6Very high98.2Very high2 Ų214.3 Ų14.31%0.0087%0.069CC..  trans-79118.6172.7-178-104.7000111.1P2 L3 S5 V188 E199 V202 M206 Y207 Y259 I261 H307P2-Y204 HydrophobicContact CB-CD2 3.89Å; P2-Y204 HydrophobicContact CB-CE2 3.86Å; L3-Y204 WeakPolarHBondContact O-CE2 3.43Å; L3-Y204 PolarHBondContact O-OH 3.26Å; S5-Y204 WeakPolarHBondContact CB-OH 3.4Å; S5-Y204 PolarHBondContact N-OH 3.1Å; S5-Y204 VanDerWaalsContact N-OH 3.12Å; V188-Y204 VanDerWaalsContact CG1-O 3.31Å; V188-Y204 WeakPolarHBondContact CG1-O 3.45Å; E199-Y204 HydrophobicContact CB-CD1 4.02Å; E199-Y204 PolarHBondContact O-N 2.69Å; V202-Y204 VanDerWaalsContact C-N 3.26Å; V202-Y204 PolarHBondContact O-N 2.88Å; Y204-M206 HydrophobicContact CE1-CB 4.15Å; Y204-M206 WeakPolarHBondContact CE1-O 3.33Å; Y204-M206 HydrophobicContact CE2-CE 4.18Å; Y204-Y207 WeakPolarHBondContact O-CD1 3.07Å; Y204-Y259 HydrophobicContact CE2-CD1 4.3Å; Y204-I261 HydrophobicContact CD2-CD1 3.7Å; Y204-I261 HydrophobicContact CD2-CG1 3.84Å; Y204-I261 HydrophobicContact CE2-CD1 4.49Å; Y204-I261 HydrophobicContact CG-CD1 3.93Å; Y204-I261 HydrophobicContact CG-CG1 4.49Å; Y204-H307 AromaticContact CE1-CE1 3.76Å
205Q97.1Very high98.2Very high77 Ų7711 Ų1136%0.366%0.056SC..  trans-93.4-19.2-166.9-64.3-179.8-4.200114.9E185 Y186 V188 Y207E185-Q205 HydrophobicContact CB-CB 4.05Å; E185-Q205 HydrophobicContact CG-CB 4.17Å; E185-Q205 PolarHBondContact OE2-OE1 2.66Å; Y186-Q205 PolarHBondContact N-O 3.16Å; V188-Q205 HydrophobicContact CG1-CG 3.94Å; Q205-Y207 VanDerWaalsContact C-N 3.3Å; Q205-Y207 PolarHBondContact O-N 2.66Å
206M96.1Very high98.2Very high26 Ų2610.7 Ų10.713%0.1285%0.054CC..  trans-95.651.4-176.2-66.7175.8-76.200111.5P2 S4 E185 Y204P2-M206 HydrophobicContact CB-CE 4.45Å; P2-M206 WeakPolarHBondContact O-CE 3.45Å; S4-M206 VanDerWaalsContact CB-SD 3.54Å; E185-M206 HydrophobicContact CG-CG 4.21Å; Y204-M206 HydrophobicContact CE1-CB 4.15Å; Y204-M206 WeakPolarHBondContact CE1-O 3.33Å; Y204-M206 HydrophobicContact CE2-CE 4.18Å
207Y97.4Very high98.2Very high0 Ų010.2 Ų10.20%05%0.052CC..  trans-89.3165.1179.160.9-97000112.2M151 R153 Y186 N187 V188 E199 L200 Y204 Q205 L211M151-Y207 HydrophobicContact SD-CD2 4.46Å; R153-Y207 HydrophobicContact CG-CE2 4.41Å; R153-Y207 PolarHBondContact NH1-OH 3.28Å; R153-Y207 VanDerWaalsContact NH1-OH 3.14Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.49Å; Y186-Y207 HydrophobicContact CD2-CE2 4.42Å; Y186-Y207 WeakPolarHBondContact CE2-O 3.46Å; Y186-Y207 HydrophobicContact CG-CE2 4.44Å; N187-Y207 PolarHBondContact O-OH 2.94Å; V188-Y207 HydrophobicContact CG1-CE1 4.17Å; E199-Y207 HydrophobicContact CG-CG 4.39Å; L200-Y207 HydrophobicContact CD2-CD1 3.87Å; L200-Y207 HydrophobicContact CD2-CE1 3.6Å; L200-Y207 HydrophobicContact CD2-CE2 4.43Å; L200-Y207 HydrophobicContact CD2-CG 4.39Å; Y204-Y207 WeakPolarHBondContact O-CD1 3.07Å; Q205-Y207 VanDerWaalsContact C-N 3.3Å; Q205-Y207 PolarHBondContact O-N 2.66Å; Y207-L211 HydrophobicContact CD2-CB 4.34Å; Y207-L211 HydrophobicContact CD2-CD2 3.67Å; Y207-L211 HydrophobicContact CE2-CD2 3.55Å
208D98.1Very high98.2Very high9 Ų910.3 Ų10.35%0.0485%0.053CC..  trans-134.7-163.3-173.165.537.7000112.9A7 Y180 S210 L211 H307A7-D208 VanDerWaalsContact CA-OD2 3.3Å; A7-D208 WeakPolarHBondContact CA-OD2 3.43Å; A7-D208 HydrophobicContact CB-CB 3.83Å; Y180-D208 HydrophobicContact CD2-CB 3.99Å; Y180-D208 HydrophobicContact CE2-CB 3.51Å; D208-S210 PolarHBondContact O-N 3Å; D208-S210 VanDerWaalsContact O-N 3.1Å; D208-S210 WeakPolarHBondContact OD1-CB 3.38Å; D208-S210 PolarHBondContact OD1-N 3.3Å; D208-S210 PolarHBondContact OD1-OG 3.13Å; D208-L211 WeakPolarHBondContact O-CB 3.42Å; D208-L211 PolarHBondContact O-N 3.34Å; D208-L211 VanDerWaalsContact O-N 3.12Å; D208-H307 IonicContact OD2-CD2 2.72Å
209Y98.6Very high98.3Very high7 Ų710.3 Ų10.33%0.0275%0.053CC..THydrogen-bonded Turntrans-50.1-30.9178.8-51.7-62000114.5A7 V9 Y10 H146 G149 M151 Y180 L211 D212 L213A7-Y209 HydrophobicContact CB-CD2 3.69Å; A7-Y209 HydrophobicContact CB-CE2 3.65Å; V9-Y209 WeakPolarHBondContact O-CE2 3.45Å; Y10-Y209 PolarHBondContact O-OH 2.89Å; H146-Y209 HydrophobicContact CB-CD1 3.84Å; H146-Y209 HydrophobicContact CB-CE1 4.26Å; H146-Y209 HydrophobicContact CB-CG 4.11Å; H146-Y209 AromaticContact CD2-CD1 3.54Å; H146-Y209 PolarHBondContact CE1-O 3.26Å; H146-Y209 AromaticContact CG-CD1 3.64Å; H146-Y209 AromaticContact CG-CG 3.89Å; G149-Y209 WeakPolarHBondContact CA-OH 3.48Å; M151-Y209 HydrophobicContact CG-CD1 3.54Å; M151-Y209 HydrophobicContact CG-CE1 3.9Å; M151-Y209 HydrophobicContact CG-CG 4.41Å; Y180-Y209 AromaticContact CD1-CE2 3.95Å; Y180-Y209 HydrophobicContact CD1-CE2 3.95Å; Y180-Y209 AromaticContact CD1-CZ 3.71Å; Y180-Y209 VanDerWaalsContact CD1-OH 3.31Å; Y180-Y209 WeakPolarHBondContact CD1-OH 3.43Å; Y180-Y209 HydrophobicContact CE1-CE2 4.42Å; Y180-Y209 HydrophobicContact CG-CE1 4.2Å; Y180-Y209 HydrophobicContact CG-CE2 4.2Å; Y180-Y209 AromaticContact CG-CZ 3.78Å; Y209-L211 PolarHBondContact O-N 3.43Å; Y209-L211 VanDerWaalsContact O-N 3.09Å; Y209-D212 WeakPolarHBondContact O-CB 3.41Å; Y209-D212 PolarHBondContact O-N 2.85Å; Y209-L213 VanDerWaalsContact O-CD2 3.27Å; Y209-L213 WeakPolarHBondContact O-CD2 3.47Å
210S98.6Very high98.3Very high10 Ų1010.3 Ų10.37%0.075%0.053CC..Hα-helixtrans-60.5-17179.363.70000114.1D208 D212 L213 W214 H307 R310D208-S210 PolarHBondContact O-N 3Å; D208-S210 VanDerWaalsContact O-N 3.1Å; D208-S210 WeakPolarHBondContact OD1-CB 3.38Å; D208-S210 PolarHBondContact OD1-N 3.3Å; D208-S210 PolarHBondContact OD1-OG 3.13Å; S210-D212 VanDerWaalsContact C-N 3.31Å; S210-L213 PolarHBondContact O-N 2.91Å; S210-W214 PolarHBondContact O-N 3.48Å; S210-H307 WeakPolarHBondContact CB-O 3.3Å; S210-H307 WeakPolarHBondContact OG-CB 3.49Å; S210-R310 PolarHBondContact O-NH1 3.26Å
211L98.7Very high98.3Very high1 Ų110.3 Ų10.31%0.0055%0.053CC..Hα-helixtrans-62.2-39.2170.6175.863.9000111.8R153 E199 L200 Y207 D208 Y209 L213 W214 S215R153-L211 HydrophobicContact CB-CD2 4.13Å; R153-L211 HydrophobicContact CG-CD2 4.11Å; E199-L211 HydrophobicContact CG-CD1 4.23Å; E199-L211 WeakPolarHBondContact OE1-CA 3.19Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.41Å; L200-L211 HydrophobicContact CD1-CD1 3.67Å; L200-L211 HydrophobicContact CD1-CD2 4.01Å; L200-L211 HydrophobicContact CD1-CG 4.46Å; L200-L211 HydrophobicContact CD2-CD1 4.34Å; L200-L211 HydrophobicContact CD2-CD2 4.09Å; L200-L211 HydrophobicContact CG-CD1 3.73Å; L200-L211 HydrophobicContact CG-CD2 4.27Å; Y207-L211 HydrophobicContact CD2-CB 4.34Å; Y207-L211 HydrophobicContact CD2-CD2 3.67Å; Y207-L211 HydrophobicContact CE2-CD2 3.55Å; D208-L211 WeakPolarHBondContact O-CB 3.42Å; D208-L211 PolarHBondContact O-N 3.34Å; D208-L211 VanDerWaalsContact O-N 3.12Å; Y209-L211 PolarHBondContact O-N 3.43Å; Y209-L211 VanDerWaalsContact O-N 3.09Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 2.9Å; L211-W214 PolarHBondContact O-N 3.39Å; L211-S215 PolarHBondContact O-N 2.91Å; L211-S215 PolarHBondContact O-OG 2.87Å
212D98.9Very high98.3Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-68.1-32.2176.9-67.3-31.2000110.7L142 H146 H152 R153 V155 Y209 S210 S215 L216L142-D212 HydrophobicContact CD1-CB 4.27Å; L142-D212 HydrophobicContact CD2-CB 3.94Å; H146-D212 IonicContact CD2-OD2 3.33Å; H146-D212 IonicContact CE1-OD2 3.98Å; H146-D212 IonicContact NE2-OD2 2.79Å; H146-D212 PolarHBondContact NE2-OD2 3.22Å; H152-D212 PolarHBondContact N-OD2 3.18Å; R153-D212 WeakPolarHBondContact CA-OD1 3.17Å; R153-D212 PolarHBondContact N-OD1 3.32Å; V155-D212 HydrophobicContact CG2-CB 4.17Å; Y209-D212 WeakPolarHBondContact O-CB 3.41Å; Y209-D212 PolarHBondContact O-N 2.85Å; S210-D212 VanDerWaalsContact C-N 3.31Å; D212-S215 WeakPolarHBondContact O-CB 3.22Å; D212-S215 PolarHBondContact O-N 3.17Å; D212-L216 WeakPolarHBondContact O-CB 3.13Å; D212-L216 PolarHBondContact O-N 2.86Å
213L98.9Very high98.3Very high2 Ų210 Ų101%0.015%0.051CC..Hα-helixtrans-75-32.5179.7-73.4-56.9000112.4L139 L142 Y209 S210 L211 L216 G217 L302 L311 A313L139-L213 HydrophobicContact CD2-CD1 3.82Å; L142-L213 HydrophobicContact CD1-CD1 4.47Å; Y209-L213 VanDerWaalsContact O-CD2 3.27Å; Y209-L213 WeakPolarHBondContact O-CD2 3.47Å; S210-L213 PolarHBondContact O-N 2.91Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 2.9Å; L213-L216 HydrophobicContact CD1-CD2 3.8Å; L213-L216 WeakPolarHBondContact O-CB 3.18Å; L213-G217 PolarHBondContact O-N 2.72Å; L213-L302 HydrophobicContact CB-CD2 4.19Å; L213-L302 HydrophobicContact CD1-CD2 4.17Å; L213-L311 WeakPolarHBondContact CG-O 3.42Å; L213-A313 HydrophobicContact CD1-CB 4.28Å
214W98.9Very high98.3Very high0 Ų07 Ų70%04%0.035CC..Hα-helixtrans-60.8-48.7166.7174.2-84.4000111.6K196 P198 S210 L211 L216 G217 C218 F231 I243 L247 L303 R304K196-W214 PolarHBondContact O-NE1 3.3Å; P198-W214 VanDerWaalsContact CD-CD2 3.43Å; P198-W214 VanDerWaalsContact CD-CE3 3.46Å; P198-W214 HydrophobicContact CG-CD2 4.31Å; P198-W214 HydrophobicContact CG-CE3 3.92Å; P198-W214 HydrophobicContact CG-CH2 3.64Å; P198-W214 HydrophobicContact CG-CZ2 4.06Å; P198-W214 HydrophobicContact CG-CZ3 3.56Å; S210-W214 PolarHBondContact O-N 3.48Å; L211-W214 PolarHBondContact O-N 3.39Å; W214-L216 VanDerWaalsContact C-N 3.29Å; W214-L216 PolarHBondContact O-N 3.34Å; W214-G217 WeakPolarHBondContact O-CA 3.29Å; W214-G217 PolarHBondContact O-N 2.69Å; W214-G217 VanDerWaalsContact O-N 3.09Å; W214-C218 PolarHBondContact NE1-SG 2.99Å; W214-C218 VanDerWaalsContact NE1-SG 3.35Å; W214-C218 PolarHBondContact O-N 2.96Å; W214-C218 PolarHBondContact O-SG 3.19Å; W214-C218 VanDerWaalsContact O-SG 3.39Å; W214-F231 HydrophobicContact CZ2-CE2 4.17Å; W214-I243 HydrophobicContact CH2-CD1 4.31Å; W214-I243 HydrophobicContact CH2-CG1 4.45Å; W214-I243 HydrophobicContact CH2-CG2 3.58Å; W214-I243 HydrophobicContact CZ2-CD1 3.6Å; W214-I243 HydrophobicContact CZ2-CG1 3.94Å; W214-I243 HydrophobicContact CZ2-CG2 3.94Å; W214-L247 HydrophobicContact CH2-CD1 3.66Å; W214-L247 HydrophobicContact CZ3-CD1 3.94Å; W214-L303 HydrophobicContact CD2-CD2 3.95Å; W214-L303 HydrophobicContact CE3-CD2 3.98Å; W214-L303 HydrophobicContact CH2-CD2 4.32Å; W214-L303 HydrophobicContact CZ2-CD2 4.28Å; W214-L303 HydrophobicContact CZ3-CB 4.34Å; W214-L303 HydrophobicContact CZ3-CD2 4.18Å; W214-R304 WeakPolarHBondContact CZ3-O 3.39Å
215S98.9Very high98.4Very high0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-61.8-41.3-178.6-56.60000110.9V155 F195 L211 D212 C218 V219V155-S215 WeakPolarHBondContact O-CB 3.21Å; F195-S215 PolarHBondContact O-OG 3Å; F195-S215 VanDerWaalsContact O-OG 3.04Å; L211-S215 PolarHBondContact O-N 2.91Å; L211-S215 PolarHBondContact O-OG 2.87Å; D212-S215 WeakPolarHBondContact O-CB 3.22Å; D212-S215 PolarHBondContact O-N 3.17Å; S215-C218 WeakPolarHBondContact O-CB 3.41Å; S215-C218 PolarHBondContact O-N 2.96Å; S215-V219 WeakPolarHBondContact O-CG2 3.36Å; S215-V219 PolarHBondContact O-N 2.93Å
216L98.9Very high98.3Very high0 Ų07.2 Ų7.20%03%0.033CC..Hα-helixtrans-57.9-47170.4-17778.3000112M135 L138 L139 L142 D212 L213 W214 C218 V219 F220 L302M135-L216 HydrophobicContact CE-CD1 3.31Å; M135-L216 HydrophobicContact CE-CD2 4.24Å; M135-L216 HydrophobicContact CE-CG 3.49Å; M135-L216 VanDerWaalsContact CE-CG 3.49Å; M135-L216 HydrophobicContact SD-CD1 4.49Å; L138-L216 HydrophobicContact CB-CD1 4.22Å; L138-L216 HydrophobicContact CD2-CD1 3.34Å; L138-L216 HydrophobicContact CG-CD1 3.58Å; L139-L216 HydrophobicContact CD1-CD2 4.43Å; L139-L216 HydrophobicContact CD2-CD2 3.29Å; L139-L216 HydrophobicContact CG-CD2 3.69Å; L142-L216 HydrophobicContact CD1-CB 4.41Å; L142-L216 HydrophobicContact CD1-CD1 4.26Å; L142-L216 HydrophobicContact CD1-CD2 4.4Å; D212-L216 WeakPolarHBondContact O-CB 3.13Å; D212-L216 PolarHBondContact O-N 2.86Å; L213-L216 HydrophobicContact CD1-CD2 3.8Å; L213-L216 WeakPolarHBondContact O-CB 3.18Å; W214-L216 VanDerWaalsContact C-N 3.29Å; W214-L216 PolarHBondContact O-N 3.34Å; L216-C218 VanDerWaalsContact C-N 3.26Å; L216-C218 PolarHBondContact O-N 3.4Å; L216-V219 WeakPolarHBondContact O-CB 3.15Å; L216-V219 PolarHBondContact O-N 2.91Å; L216-V219 VanDerWaalsContact O-N 3.16Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.45Å; L216-L302 HydrophobicContact CD2-CD1 4.34Å; L216-L302 HydrophobicContact CD2-CD2 4.35Å
217G98.9Very high98.3Very high0 Ų010.7 Ų10.70%05%0.047CC..Hα-helixtrans-58.9-37.217600000112.4L213 W214 F220 A221 L299L213-G217 PolarHBondContact O-N 2.72Å; W214-G217 WeakPolarHBondContact O-CA 3.29Å; W214-G217 PolarHBondContact O-N 2.69Å; W214-G217 VanDerWaalsContact O-N 3.09Å; G217-F220 PolarHBondContact O-N 2.92Å; G217-A221 WeakPolarHBondContact O-CB 3.38Å; G217-A221 PolarHBondContact O-N 2.95Å; G217-L299 VanDerWaalsContact O-CD1 3.26Å; G217-L299 WeakPolarHBondContact O-CD1 3.43Å
218C98.8Very high98.2Very high2 Ų214.2 Ų14.21%0.0146%0.063CC..Hα-helixtrans-65.8-44.5174.3-65.30000111.9F195 W214 S215 L216 F220 A221 S222F195-C218 HydrophobicContact CD1-CB 3.65Å; F195-C218 HydrophobicContact CE1-CB 4.16Å; W214-C218 PolarHBondContact NE1-SG 2.99Å; W214-C218 VanDerWaalsContact NE1-SG 3.35Å; W214-C218 PolarHBondContact O-N 2.96Å; W214-C218 PolarHBondContact O-SG 3.19Å; W214-C218 VanDerWaalsContact O-SG 3.39Å; S215-C218 WeakPolarHBondContact O-CB 3.41Å; S215-C218 PolarHBondContact O-N 2.96Å; L216-C218 VanDerWaalsContact C-N 3.26Å; L216-C218 PolarHBondContact O-N 3.4Å; C218-F220 VanDerWaalsContact C-N 3.31Å; C218-F220 PolarHBondContact O-N 3.5Å; C218-A221 PolarHBondContact O-N 2.93Å; C218-S222 PolarHBondContact O-N 3.2Å; C218-S222 PolarHBondContact O-OG 3.4Å; C218-S222 VanDerWaalsContact O-OG 3.14Å
219V98.7Very high98.1Very high0 Ų014.8 Ų14.80%07%0.067CC..Hα-helixtrans-58.2-45.7173.71740000110.5M135 V155 P157 F195 S215 L216 S222 M223M135-V219 HydrophobicContact SD-CG1 4.27Å; V155-V219 HydrophobicContact CG1-CG2 4.48Å; P157-V219 HydrophobicContact CG-CG2 4.21Å; F195-V219 HydrophobicContact CD1-CG2 4.06Å; F195-V219 HydrophobicContact CE1-CG2 3.85Å; S215-V219 WeakPolarHBondContact O-CG2 3.36Å; S215-V219 PolarHBondContact O-N 2.93Å; L216-V219 WeakPolarHBondContact O-CB 3.15Å; L216-V219 PolarHBondContact O-N 2.91Å; L216-V219 VanDerWaalsContact O-N 3.16Å; V219-S222 WeakPolarHBondContact O-CB 3.45Å; V219-S222 PolarHBondContact O-N 3.4Å; V219-M223 HydrophobicContact CG1-CE 3.61Å; V219-M223 HydrophobicContact CG1-SD 4.35Å; V219-M223 WeakPolarHBondContact O-CG 3.31Å; V219-M223 PolarHBondContact O-N 3.01Å; V219-M223 VanDerWaalsContact O-N 3.1Å
220F98.8Very high98.1Very high0 Ų014.6 Ų14.60%07%0.067CC..Hα-helixtrans-63.2-48.3-179.6-173.3-144.7000112.4I131 M135 L216 G217 C218 S222 M223 I224 S295 L298 L299 L302 Y321I131-F220 HydrophobicContact CG2-CD2 3.98Å; I131-F220 HydrophobicContact CG2-CE2 3.78Å; M135-F220 HydrophobicContact CE-CB 3.62Å; M135-F220 HydrophobicContact CE-CD2 4.36Å; M135-F220 HydrophobicContact CE-CG 4.12Å; M135-F220 HydrophobicContact CG-CD2 3.87Å; M135-F220 HydrophobicContact CG-CE2 4.42Å; M135-F220 HydrophobicContact SD-CB 4.17Å; M135-F220 HydrophobicContact SD-CD2 4.31Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.45Å; G217-F220 PolarHBondContact O-N 2.92Å; C218-F220 VanDerWaalsContact C-N 3.31Å; C218-F220 PolarHBondContact O-N 3.5Å; F220-S222 VanDerWaalsContact C-N 3.27Å; F220-S222 PolarHBondContact O-N 3.29Å; F220-M223 PolarHBondContact O-N 3.23Å; F220-M223 VanDerWaalsContact O-N 3.13Å; F220-I224 HydrophobicContact CD2-CG2 3.81Å; F220-I224 HydrophobicContact CE1-CD1 4.34Å; F220-I224 HydrophobicContact CE2-CD1 4.42Å; F220-I224 HydrophobicContact CE2-CG2 3.36Å; F220-I224 HydrophobicContact CZ-CD1 4.2Å; F220-I224 HydrophobicContact CZ-CG2 4.02Å; F220-I224 PolarHBondContact O-N 3.44Å; F220-S295 WeakPolarHBondContact CE1-O 3.37Å; F220-L298 HydrophobicContact CD1-CD2 4.36Å; F220-L298 HydrophobicContact CE1-CB 4.15Å; F220-L298 HydrophobicContact CE1-CD2 3.76Å; F220-L298 HydrophobicContact CE1-CG 4Å; F220-L298 HydrophobicContact CZ-CD2 4.16Å; F220-L299 HydrophobicContact CB-CD1 4.47Å; F220-L299 HydrophobicContact CD1-CB 4.13Å; F220-L299 HydrophobicContact CD1-CD1 3.94Å; F220-L299 HydrophobicContact CE1-CB 4.14Å; F220-L302 HydrophobicContact CD1-CD1 4.44Å; F220-Y321 HydrophobicContact CE1-CE1 4.49Å; F220-Y321 AromaticContact CE2-CE1 3.66Å; F220-Y321 HydrophobicContact CE2-CE1 3.66Å; F220-Y321 AromaticContact CE2-CZ 3.77Å; F220-Y321 HydrophobicContact CZ-CD1 4.07Å; F220-Y321 AromaticContact CZ-CE1 3.46Å; F220-Y321 HydrophobicContact CZ-CE1 3.46Å; F220-Y321 VanDerWaalsContact CZ-CE1 3.46Å; F220-Y321 HydrophobicContact CZ-CE2 4.27Å; F220-Y321 AromaticContact CZ-CZ 3.59Å
221A98.7Very high98.1Very high0 Ų014.2 Ų14.20%06%0.064CC..Hα-helixtrans-56.3-43.8176.100000111.4G217 C218 M223 F225 F230 L299 L303G217-A221 WeakPolarHBondContact O-CB 3.38Å; G217-A221 PolarHBondContact O-N 2.95Å; C218-A221 PolarHBondContact O-N 2.93Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.17Å; A221-F225 HydrophobicContact CB-CD2 4.13Å; A221-F225 HydrophobicContact CB-CE2 4.41Å; A221-F225 VanDerWaalsContact O-CB 3.28Å; A221-F225 WeakPolarHBondContact O-CB 3.44Å; A221-F225 WeakPolarHBondContact O-CD2 3.31Å; A221-F225 PolarHBondContact O-N 3.03Å; A221-F230 HydrophobicContact CB-CB 3.92Å; A221-F230 HydrophobicContact CB-CD1 3.89Å; A221-F230 HydrophobicContact CB-CD2 3.94Å; A221-F230 HydrophobicContact CB-CE1 4.41Å; A221-F230 HydrophobicContact CB-CE2 4.47Å; A221-F230 HydrophobicContact CB-CG 3.63Å; A221-L299 HydrophobicContact CB-CD1 3.92Å; A221-L299 HydrophobicContact CB-CD2 3.98Å; A221-L303 HydrophobicContact CB-CD1 4.48Å
222S98.1Very high98.1Very high4 Ų418.9 Ų18.93%0.0289%0.086CC..Hα-helixtrans-61.6-39.9178-69.30000112.9C218 V219 F220 R226 K227 E228 F230C218-S222 PolarHBondContact O-N 3.2Å; C218-S222 PolarHBondContact O-OG 3.4Å; C218-S222 VanDerWaalsContact O-OG 3.14Å; V219-S222 WeakPolarHBondContact O-CB 3.45Å; V219-S222 PolarHBondContact O-N 3.4Å; F220-S222 VanDerWaalsContact C-N 3.27Å; F220-S222 PolarHBondContact O-N 3.29Å; S222-R226 WeakPolarHBondContact O-CA 3.4Å; S222-R226 PolarHBondContact O-N 2.81Å; S222-R226 VanDerWaalsContact O-N 3.13Å; S222-K227 WeakPolarHBondContact CA-O 3.4Å; S222-K227 PolarHBondContact O-N 3.13Å; S222-K227 VanDerWaalsContact O-N 3.11Å; S222-K227 PolarHBondContact OG-O 2.87Å; S222-E228 WeakPolarHBondContact CB-OE2 3.35Å; S222-E228 PolarHBondContact OG-OE2 3.13Å; S222-F230 PolarHBondContact OG-N 3.07Å; S222-F230 VanDerWaalsContact OG-N 3.16Å
223M98.2Very high98Very high8 Ų818.9 Ų18.94%0.0399%0.086CC..Hα-helixtrans-66.2-56.8177.3-68.7173.8177.900111.5Y123 I131 M135 V219 F220 A221 F225 R226Y123-M223 HydrophobicContact CD1-CE 4.15Å; Y123-M223 HydrophobicContact CD2-CE 4.2Å; Y123-M223 HydrophobicContact CD2-CG 3.81Å; Y123-M223 HydrophobicContact CE1-CE 3.52Å; Y123-M223 HydrophobicContact CE2-CE 3.56Å; Y123-M223 HydrophobicContact CE2-CG 3.93Å; Y123-M223 HydrophobicContact CG-CE 4.47Å; Y123-M223 HydrophobicContact CG-CG 4.23Å; Y123-M223 VanDerWaalsContact OH-CE 3.32Å; Y123-M223 WeakPolarHBondContact OH-CE 3.47Å; I131-M223 HydrophobicContact CD1-CB 4.04Å; I131-M223 HydrophobicContact CG1-CB 4.26Å; I131-M223 HydrophobicContact CG1-SD 4.42Å; I131-M223 HydrophobicContact CG2-CB 4.27Å; I131-M223 HydrophobicContact CG2-SD 4Å; M135-M223 HydrophobicContact CG-SD 4.23Å; M135-M223 HydrophobicContact SD-CE 4.18Å; M135-M223 HydrophobicContact SD-SD 3.8Å; V219-M223 HydrophobicContact CG1-CE 3.61Å; V219-M223 HydrophobicContact CG1-SD 4.35Å; V219-M223 WeakPolarHBondContact O-CG 3.31Å; V219-M223 PolarHBondContact O-N 3.01Å; V219-M223 VanDerWaalsContact O-N 3.1Å; F220-M223 PolarHBondContact O-N 3.23Å; F220-M223 VanDerWaalsContact O-N 3.13Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.17Å; M223-F225 PolarHBondContact O-N 3.46Å; M223-R226 PolarHBondContact O-N 3.09Å
224I98.3Very high97.9Very high0 Ų024.5 Ų24.50%011%0.111CC..Hα-helixtrans-73.2-31.6-171.868.6177.4000112.7I131 F220 N287 V291 L296 L299I131-I224 HydrophobicContact CD1-CG2 4.33Å; I131-I224 HydrophobicContact CG2-CG2 4.11Å; F220-I224 HydrophobicContact CD2-CG2 3.81Å; F220-I224 HydrophobicContact CE1-CD1 4.34Å; F220-I224 HydrophobicContact CE2-CD1 4.42Å; F220-I224 HydrophobicContact CE2-CG2 3.36Å; F220-I224 HydrophobicContact CZ-CD1 4.2Å; F220-I224 HydrophobicContact CZ-CG2 4.02Å; F220-I224 PolarHBondContact O-N 3.44Å; I224-N287 WeakPolarHBondContact O-CB 3.28Å; I224-V291 HydrophobicContact CB-CG2 4.21Å; I224-L296 HydrophobicContact CD1-CD2 4.39Å; I224-L299 HydrophobicContact CD1-CD2 4.21Å
225F98Very high97.8Very high3 Ų327 Ų271%0.01313%0.125CC..THydrogen-bonded Turntrans-90.1-1.6176.5-61.1-51.1000113.6A221 M223 K227 F230 W279 F282 V283 N287 V291 L296 L299A221-F225 HydrophobicContact CB-CD2 4.13Å; A221-F225 HydrophobicContact CB-CE2 4.41Å; A221-F225 VanDerWaalsContact O-CB 3.28Å; A221-F225 WeakPolarHBondContact O-CB 3.44Å; A221-F225 WeakPolarHBondContact O-CD2 3.31Å; A221-F225 PolarHBondContact O-N 3.03Å; M223-F225 PolarHBondContact O-N 3.46Å; F225-K227 PolarHBondContact O-N 3.07Å; F225-F230 HydrophobicContact CB-CD2 4.36Å; F225-F230 HydrophobicContact CB-CE2 4.27Å; F225-F230 AromaticContact CD2-CD2 3.78Å; F225-F230 HydrophobicContact CD2-CD2 3.78Å; F225-F230 AromaticContact CD2-CE2 3.3Å; F225-F230 HydrophobicContact CD2-CE2 3.3Å; F225-F230 HydrophobicContact CD2-CZ 4Å; F225-F230 AromaticContact CE2-CE2 3.89Å; F225-F230 HydrophobicContact CE2-CE2 3.89Å; F225-F230 HydrophobicContact CE2-CZ 4.13Å; F225-F230 HydrophobicContact CG-CE2 4.08Å; F225-W279 AromaticContact CE2-CE3 3.91Å; F225-W279 HydrophobicContact CE2-CE3 3.91Å; F225-W279 HydrophobicContact CE2-CZ3 4.39Å; F225-W279 HydrophobicContact CZ-CB 4.24Å; F225-W279 HydrophobicContact CZ-CE3 4.13Å; F225-F282 HydrophobicContact CB-CB 4.45Å; F225-F282 HydrophobicContact CD1-CB 3.53Å; F225-F282 HydrophobicContact CD2-CB 4.13Å; F225-F282 HydrophobicContact CE1-CB 3.67Å; F225-F282 HydrophobicContact CE2-CB 4.2Å; F225-F282 HydrophobicContact CE2-CD2 4.46Å; F225-F282 HydrophobicContact CG-CB 3.79Å; F225-F282 HydrophobicContact CZ-CB 4Å; F225-F282 HydrophobicContact CZ-CD2 4.44Å; F225-V283 HydrophobicContact CE1-CG2 4.17Å; F225-N287 WeakPolarHBondContact CA-ND2 3.41Å; F225-N287 PolarHBondContact O-ND2 2.83Å; F225-N287 VanDerWaalsContact O-ND2 3.1Å; F225-V291 HydrophobicContact CD1-CG2 4.35Å; F225-V291 HydrophobicContact CE1-CG2 4.26Å; F225-L296 HydrophobicContact CE1-CD2 3.98Å; F225-L296 HydrophobicContact CZ-CD2 3.76Å; F225-L299 HydrophobicContact CD2-CD2 4.43Å; F225-L299 HydrophobicContact CE2-CD2 3.45Å; F225-L299 VanDerWaalsContact CE2-CD2 3.45Å; F225-L299 HydrophobicContact CZ-CD2 3.98Å
226R96.5Very high97.8Very high80 Ų8029.1 Ų29.130%0.30214%0.136SC..THydrogen-bonded Turntrans50.241.9-175.6-66.2-174.4164.1-167.6-10.3112.8H124 S222 M223 E286 N287 L290H124-R226 PolarHBondContact O-NH2 2.76Å; S222-R226 WeakPolarHBondContact O-CA 3.4Å; S222-R226 PolarHBondContact O-N 2.81Å; S222-R226 VanDerWaalsContact O-N 3.13Å; M223-R226 PolarHBondContact O-N 3.09Å; R226-E286 WeakPolarHBondContact CD-O 3.4Å; R226-E286 PolarHBondContact NH1-O 2.98Å; R226-N287 HydrophobicContact CB-CB 4.43Å; R226-N287 HydrophobicContact CG-CB 4.14Å; R226-L290 HydrophobicContact CG-CD1 4.1Å
227K95.9Very high97.7Very high99 Ų9931.5 Ų31.543%0.4315%0.145SC..  trans-134.798.4-177.5-175.6-170175.6-157.60110.1S222 F225 P229 F230S222-K227 WeakPolarHBondContact CA-O 3.4Å; S222-K227 PolarHBondContact O-N 3.13Å; S222-K227 VanDerWaalsContact O-N 3.11Å; S222-K227 PolarHBondContact OG-O 2.87Å; F225-K227 PolarHBondContact O-N 3.07Å; K227-P229 CarbonylContact O-C 3.57Å; K227-P229 VanDerWaalsContact O-C 3.22Å; K227-F230 HydrophobicContact CD-CD2 4.18Å; K227-F230 PolarHBondContact NZ-O 3.35Å; K227-F230 VanDerWaalsContact O-CA 3.25Å; K227-F230 WeakPolarHBondContact O-CA 3.41Å; K227-F230 PolarHBondContact O-N 2.99Å
228E94.4Very high97.7Very high73 Ų7332.1 Ų32.134%0.34115%0.149SC..SBendtrans-116.9122.9-175.917558.4-160.700111.3F119 F195 S222F119-E228 HydrophobicContact CE2-CG 3.92Å; F195-E228 WeakPolarHBondContact CZ-OE1 3.37Å; S222-E228 WeakPolarHBondContact CB-OE2 3.35Å; S222-E228 PolarHBondContact OG-OE2 3.13Å
229P97.2Very high97.7Very high21 Ų2132 Ų3214%0.13615%0.148CC..SBendcis-73.5149.6-10.432.4-35.4000112Y194 K227 F231 H232Y194-P229 HydrophobicContact CD1-CB 4.39Å; Y194-P229 HydrophobicContact CD1-CG 3.95Å; Y194-P229 HydrophobicContact CD2-CB 3.91Å; Y194-P229 HydrophobicContact CD2-CG 3.6Å; Y194-P229 HydrophobicContact CE1-CG 4.26Å; Y194-P229 HydrophobicContact CE2-CG 3.95Å; Y194-P229 HydrophobicContact CG-CB 3.72Å; Y194-P229 HydrophobicContact CG-CG 3.6Å; K227-P229 CarbonylContact O-C 3.57Å; K227-P229 VanDerWaalsContact O-C 3.22Å; P229-F231 PolarHBondContact O-N 3.46Å; P229-H232 HydrophobicContact CG-CB 4Å
230F98.2Very high97.7Very high3 Ų332 Ų321%0.01315%0.148CC..SBendtrans-62.6-46.5179.2-175.6-103.4000112.5A221 S222 F225 K227 V246 W279 F282A221-F230 HydrophobicContact CB-CB 3.92Å; A221-F230 HydrophobicContact CB-CD1 3.89Å; A221-F230 HydrophobicContact CB-CD2 3.94Å; A221-F230 HydrophobicContact CB-CE1 4.41Å; A221-F230 HydrophobicContact CB-CE2 4.47Å; A221-F230 HydrophobicContact CB-CG 3.63Å; S222-F230 PolarHBondContact OG-N 3.07Å; S222-F230 VanDerWaalsContact OG-N 3.16Å; F225-F230 HydrophobicContact CB-CD2 4.36Å; F225-F230 HydrophobicContact CB-CE2 4.27Å; F225-F230 AromaticContact CD2-CD2 3.78Å; F225-F230 HydrophobicContact CD2-CD2 3.78Å; F225-F230 AromaticContact CD2-CE2 3.3Å; F225-F230 HydrophobicContact CD2-CE2 3.3Å; F225-F230 HydrophobicContact CD2-CZ 4Å; F225-F230 AromaticContact CE2-CE2 3.89Å; F225-F230 HydrophobicContact CE2-CE2 3.89Å; F225-F230 HydrophobicContact CE2-CZ 4.13Å; F225-F230 HydrophobicContact CG-CE2 4.08Å; K227-F230 HydrophobicContact CD-CD2 4.18Å; K227-F230 PolarHBondContact NZ-O 3.35Å; K227-F230 VanDerWaalsContact O-CA 3.25Å; K227-F230 WeakPolarHBondContact O-CA 3.41Å; K227-F230 PolarHBondContact O-N 2.99Å; F230-V246 HydrophobicContact CE1-CG1 4.33Å; F230-W279 AromaticContact CE1-CZ3 3.81Å; F230-W279 HydrophobicContact CE1-CZ3 3.81Å; F230-W279 HydrophobicContact CZ-CE3 4.43Å; F230-W279 AromaticContact CZ-CZ3 3.81Å; F230-W279 HydrophobicContact CZ-CZ3 3.81Å; F230-F282 HydrophobicContact CE2-CD1 4.04Å; F230-F282 HydrophobicContact CE2-CD2 4.45Å; F230-F282 HydrophobicContact CE2-CE1 4.36Å; F230-F282 HydrophobicContact CE2-CG 4.08Å; F230-F282 HydrophobicContact CZ-CD1 4.12Å; F230-F282 HydrophobicContact CZ-CD2 4.06Å; F230-F282 HydrophobicContact CZ-CE1 4.07Å; F230-F282 HydrophobicContact CZ-CE2 4.02Å; F230-F282 HydrophobicContact CZ-CG 4.12Å; F230-F282 HydrophobicContact CZ-CZ 4.02Å
231F98.5Very high97.7Very high3 Ų332.3 Ų32.31%0.01315%0.15CC..SBendtrans-102.9105.6172.6-60.5-65.8000110.7Y194 W214 P229 Q239 I243 V246 L303Y194-F231 WeakPolarHBondContact CD1-O 3.25Å; W214-F231 HydrophobicContact CZ2-CE2 4.17Å; P229-F231 PolarHBondContact O-N 3.46Å; F231-Q239 PolarHBondContact O-NE2 3.32Å; F231-Q239 PolarHBondContact O-OE1 3.36Å; F231-I243 HydrophobicContact CB-CG1 4.4Å; F231-I243 HydrophobicContact CD1-CG1 3.92Å; F231-I243 HydrophobicContact CD2-CG1 4.16Å; F231-I243 HydrophobicContact CE1-CB 4.43Å; F231-I243 HydrophobicContact CE1-CG1 4.17Å; F231-I243 HydrophobicContact CE2-CG1 4.39Å; F231-I243 HydrophobicContact CG-CG1 3.92Å; F231-I243 HydrophobicContact CZ-CG1 4.4Å; F231-V246 HydrophobicContact CD1-CG2 4.38Å; F231-V246 HydrophobicContact CE1-CB 3.85Å; F231-V246 HydrophobicContact CE1-CG1 4.29Å; F231-V246 HydrophobicContact CE1-CG2 3.76Å; F231-L303 HydrophobicContact CE2-CD1 3.96Å; F231-L303 HydrophobicContact CE2-CD2 4.41Å; F231-L303 HydrophobicContact CZ-CD1 4.18Å
232H97.9Very high97.6Very high99 Ų9936.9 Ų36.946%0.45817%0.167SC..  trans-109.785.9-174.4-172.8-83.1000112.4Y194 P229Y194-H232 AromaticContact CE1-CD2 3.79Å; Y194-H232 AromaticContact CZ-CD2 3.72Å; Y194-H232 AromaticContact CZ-NE2 3.78Å; Y194-H232 PolarHBondContact OH-NE2 3.03Å; P229-H232 HydrophobicContact CG-CB 4Å
233G97.7Very high97.7Very high0 Ų036.7 Ų36.70%017%0.166CC..  trans-94138.3175.700000114.4R193 Y194 D235 D238R193-G233 WeakPolarHBondContact CD-O 3.48Å; R193-G233 PolarHBondContact NH1-O 2.87Å; Y194-G233 WeakPolarHBondContact CE1-O 3.46Å; G233-D235 VanDerWaalsContact C-N 3.34Å; G233-D238 VanDerWaalsContact CA-OD2 3.27Å; G233-D238 WeakPolarHBondContact CA-OD2 3.46Å
234H96.6Very high97.7Very high119 Ų11936.3 Ų36.355%0.55116%0.164SC*.SBendtrans-78.6-13.3178.66468.9000114.8R193 D238R193-H234 PolarHBondContact NH1-O 3.33Å; R193-H234 PolarHBondContact NH2-O 3.25Å; H234-D238 VanDerWaalsContact CD2-CG 3.42Å; H234-D238 IonicContact CD2-OD2 3.09Å; H234-D238 PolarHBondContact CD2-OD2 3.3Å; H234-D238 IonicContact CG-OD2 3.7Å; H234-D238 PolarHBondContact N-OD2 3.05Å; H234-D238 WeakPolarHBondContact NE2-CB 3.33Å; H234-D238 IonicContact NE2-OD2 3.67Å
235D97.5Very high97.7Very high53 Ų5339.9 Ų39.928%0.28318%0.179SC..SBendtrans-152.9-174.616657.147.8000109.7R193 G233 Y237 D238 Q239R193-D235 VanDerWaalsContact CZ-CA 3.46Å; G233-D235 VanDerWaalsContact C-N 3.34Å; D235-Y237 VanDerWaalsContact C-N 3.29Å; D235-Y237 PolarHBondContact O-N 2.89Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.39Å; D235-Y237 VanDerWaalsContact OD1-CB 3.3Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.37Å; D235-Y237 PolarHBondContact OD1-N 2.82Å; D235-D238 PolarHBondContact OD1-N 3.36Å; D235-Q239 VanDerWaalsContact O-CB 3.29Å; D235-Q239 WeakPolarHBondContact O-CB 3.29Å; D235-Q239 PolarHBondContact O-N 2.79Å
236N97.7Very high97.7Very high44 Ų4440.3 Ų40.324%0.23518%0.182CC..Hα-helixtrans-68.5-28.7179.7-70.6-6.6000112.7L201 L240L201-N236 HydrophobicContact CD2-CB 3.99Å; N236-L240 PolarHBondContact O-N 2.87Å
237Y97.9Very high97.8Very high50 Ų5036.6 Ų36.620%0.19617%0.168CC..Hα-helixtrans-70.3-52.4177.9-67.7-84.7000109.6D235 Q239 L240 V241 D264 R266 F267 I270D235-Y237 VanDerWaalsContact C-N 3.29Å; D235-Y237 PolarHBondContact O-N 2.89Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.39Å; D235-Y237 VanDerWaalsContact OD1-CB 3.3Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.37Å; D235-Y237 PolarHBondContact OD1-N 2.82Å; Y237-Q239 PolarHBondContact O-N 3.31Å; Y237-L240 PolarHBondContact O-N 3.32Å; Y237-V241 WeakPolarHBondContact O-CG2 3.49Å; Y237-V241 PolarHBondContact O-N 3.45Å; Y237-D264 HydrophobicContact CE1-CB 4.07Å; Y237-D264 PolarHBondContact OH-OD2 3.17Å; Y237-R266 HydrophobicContact CD1-CB 4.08Å; Y237-R266 HydrophobicContact CE1-CB 3.78Å; Y237-R266 PolarHBondContact OH-NE 2.87Å; Y237-R266 VanDerWaalsContact OH-NE 3.08Å; Y237-R266 PolarHBondContact OH-NH1 3.31Å; Y237-R266 PolarHBondContact OH-NH2 2.79Å; Y237-F267 HydrophobicContact CD1-CD1 4.3Å; Y237-F267 HydrophobicContact CD1-CD2 4.02Å; Y237-F267 AromaticContact CD1-CE1 3.8Å; Y237-F267 HydrophobicContact CD1-CE1 3.8Å; Y237-F267 AromaticContact CD1-CE2 3.55Å; Y237-F267 HydrophobicContact CD1-CE2 3.55Å; Y237-F267 HydrophobicContact CD1-CG 4.41Å; Y237-F267 AromaticContact CD1-CZ 3.43Å; Y237-F267 HydrophobicContact CD1-CZ 3.43Å; Y237-F267 VanDerWaalsContact CD1-CZ 3.43Å; Y237-F267 HydrophobicContact CE1-CD2 4.18Å; Y237-F267 AromaticContact CE1-CE2 3.73Å; Y237-F267 HydrophobicContact CE1-CE2 3.73Å; Y237-F267 HydrophobicContact CE1-CZ 4.06Å; Y237-F267 HydrophobicContact CG-CE1 4.42Å; Y237-F267 HydrophobicContact CG-CZ 4.2Å; Y237-I270 HydrophobicContact CD1-CD1 4.38Å; Y237-I270 HydrophobicContact CG-CD1 4.41Å
238D98Very high97.9Very high14 Ų1432 Ų328%0.07515%0.149CC..Hα-helixtrans-61.9-33.5174.8-175.145.9000111.2G233 H234 D235 L240 V241 R242G233-D238 VanDerWaalsContact CA-OD2 3.27Å; G233-D238 WeakPolarHBondContact CA-OD2 3.46Å; H234-D238 VanDerWaalsContact CD2-CG 3.42Å; H234-D238 IonicContact CD2-OD2 3.09Å; H234-D238 PolarHBondContact CD2-OD2 3.3Å; H234-D238 IonicContact CG-OD2 3.7Å; H234-D238 PolarHBondContact N-OD2 3.05Å; H234-D238 WeakPolarHBondContact NE2-CB 3.33Å; H234-D238 IonicContact NE2-OD2 3.67Å; D235-D238 PolarHBondContact OD1-N 3.36Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-V241 CarbonylContact O-C 3.55Å; D238-V241 WeakPolarHBondContact O-CA 3.44Å; D238-V241 WeakPolarHBondContact O-CB 3.45Å; D238-V241 PolarHBondContact O-N 3.3Å; D238-V241 VanDerWaalsContact O-N 3.11Å; D238-R242 VanDerWaalsContact O-CG 3.31Å; D238-R242 WeakPolarHBondContact O-CG 3.35Å; D238-R242 PolarHBondContact O-N 2.97Å; D238-R242 IonicContact OD1-CZ 3.58Å; D238-R242 IonicContact OD1-NE 3.96Å; D238-R242 PolarHBondContact OD1-NE 3.28Å; D238-R242 IonicContact OD1-NH2 3.4Å; D238-R242 PolarHBondContact OD1-NH2 3.1Å; D238-R242 IonicContact OD2-CZ 3.67Å; D238-R242 IonicContact OD2-NE 3.91Å; D238-R242 PolarHBondContact OD2-NE 3.02Å; D238-R242 VanDerWaalsContact OD2-NE 3.13Å; D238-R242 IonicContact OD2-NH2 3.28Å; D238-R242 PolarHBondContact OD2-NH2 2.79Å
239Q98.5Very high98.1Very high0 Ų029 Ų290%014%0.136CC..Hα-helixtrans-56.6-46.7175.5-17366.623.100112.2R193 Y194 L201 F231 D235 Y237 V241 R242 I243R193-Q239 HydrophobicContact CG-CB 4.17Å; R193-Q239 HydrophobicContact CG-CG 4.23Å; R193-Q239 WeakPolarHBondContact O-CG 3.35Å; Y194-Q239 PolarHBondContact O-NE2 3.32Å; L201-Q239 HydrophobicContact CD1-CB 4.32Å; L201-Q239 HydrophobicContact CD1-CG 3.86Å; L201-Q239 HydrophobicContact CD2-CB 4.13Å; L201-Q239 HydrophobicContact CD2-CG 4.13Å; F231-Q239 PolarHBondContact O-NE2 3.32Å; F231-Q239 PolarHBondContact O-OE1 3.36Å; D235-Q239 VanDerWaalsContact O-CB 3.29Å; D235-Q239 WeakPolarHBondContact O-CB 3.29Å; D235-Q239 PolarHBondContact O-N 2.79Å; Y237-Q239 PolarHBondContact O-N 3.31Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.06Å; Q239-R242 PolarHBondContact O-N 3.47Å; Q239-I243 HydrophobicContact CG-CD1 4.39Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 3.12Å; Q239-I243 VanDerWaalsContact O-N 3.12Å
240L98.6Very high98.2Very high0 Ų034.8 Ų34.80%016%0.161CC..Hα-helixtrans-65.6-38.1176.4-174.362.4000111.5L201 V202 N236 Y237 D238 R242 I243 A244 L252 L263 F267L201-L240 HydrophobicContact CB-CB 4.2Å; L201-L240 HydrophobicContact CB-CD1 4.28Å; L201-L240 HydrophobicContact CD1-CB 4.13Å; L201-L240 HydrophobicContact CD1-CD1 4.23Å; V202-L240 HydrophobicContact CG1-CD1 4.45Å; V202-L240 HydrophobicContact CG1-CD2 3.76Å; N236-L240 PolarHBondContact O-N 2.87Å; Y237-L240 PolarHBondContact O-N 3.32Å; D238-L240 PolarHBondContact O-N 3.28Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.98Å; L240-I243 PolarHBondContact O-N 3.09Å; L240-A244 WeakPolarHBondContact O-CB 3.28Å; L240-A244 PolarHBondContact O-N 3.13Å; L240-L252 HydrophobicContact CD1-CD1 4.36Å; L240-L252 HydrophobicContact CD1-CD2 4.35Å; L240-L252 HydrophobicContact CD2-CD2 4.49Å; L240-L252 HydrophobicContact CG-CD2 4.41Å; L240-L263 HydrophobicContact CD2-CD1 4.11Å; L240-F267 HydrophobicContact CB-CE1 3.81Å; L240-F267 HydrophobicContact CB-CZ 4.09Å; L240-F267 HydrophobicContact CD2-CD1 4.16Å; L240-F267 HydrophobicContact CD2-CE1 3.6Å; L240-F267 HydrophobicContact CD2-CE2 4.21Å; L240-F267 HydrophobicContact CD2-CZ 3.59Å; L240-F267 HydrophobicContact CG-CE1 4.19Å; L240-F267 HydrophobicContact CG-CZ 4.46Å
241V98.4Very high98.1Very high5 Ų537.1 Ų37.13%0.0317%0.172CC..Hα-helixtrans-61.4-41174.3177.90000111.3Y237 D238 Q239 I243 A244 K245 I270 L271Y237-V241 WeakPolarHBondContact O-CG2 3.49Å; Y237-V241 PolarHBondContact O-N 3.45Å; D238-V241 CarbonylContact O-C 3.55Å; D238-V241 WeakPolarHBondContact O-CA 3.44Å; D238-V241 WeakPolarHBondContact O-CB 3.45Å; D238-V241 PolarHBondContact O-N 3.3Å; D238-V241 VanDerWaalsContact O-N 3.11Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.06Å; V241-I243 VanDerWaalsContact C-N 3.32Å; V241-I243 PolarHBondContact O-N 3.39Å; V241-A244 PolarHBondContact O-N 2.93Å; V241-K245 HydrophobicContact CG1-CD 4.17Å; V241-K245 HydrophobicContact CG1-CG 4.49Å; V241-K245 WeakPolarHBondContact O-CB 3.27Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.27Å; V241-K245 PolarHBondContact O-N 3.48Å; V241-I270 HydrophobicContact CG2-CB 4.24Å; V241-I270 HydrophobicContact CG2-CD1 3.98Å; V241-I270 HydrophobicContact CG2-CG1 3.92Å; V241-L271 HydrophobicContact CG2-CD1 4.32Å
242R98.5Very high98.1Very high97 Ų9737 Ų3737%0.36617%0.171SC..Hα-helixtrans-63.1-38.8175.8-64.4-50.8168.6162.4-2.9112.1D238 Q239 L240D238-R242 VanDerWaalsContact O-CG 3.31Å; D238-R242 WeakPolarHBondContact O-CG 3.35Å; D238-R242 PolarHBondContact O-N 2.97Å; D238-R242 IonicContact OD1-CZ 3.58Å; D238-R242 IonicContact OD1-NE 3.96Å; D238-R242 PolarHBondContact OD1-NE 3.28Å; D238-R242 IonicContact OD1-NH2 3.4Å; D238-R242 PolarHBondContact OD1-NH2 3.1Å; D238-R242 IonicContact OD2-CZ 3.67Å; D238-R242 IonicContact OD2-NE 3.91Å; D238-R242 PolarHBondContact OD2-NE 3.02Å; D238-R242 VanDerWaalsContact OD2-NE 3.13Å; D238-R242 IonicContact OD2-NH2 3.28Å; D238-R242 PolarHBondContact OD2-NH2 2.79Å; Q239-R242 PolarHBondContact O-N 3.47Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.98Å
243I98.8Very high98.1Very high0 Ų036.5 Ų36.50%017%0.168CC..Hα-helixtrans-65.7-49.1175-65162.9000109.9L201 W214 F231 Q239 L240 V241 K245 V246 L247 Y305L201-I243 HydrophobicContact CD1-CD1 3.49Å; L201-I243 VanDerWaalsContact CD1-CD1 3.49Å; W214-I243 HydrophobicContact CH2-CD1 4.31Å; W214-I243 HydrophobicContact CH2-CG1 4.45Å; W214-I243 HydrophobicContact CH2-CG2 3.58Å; W214-I243 HydrophobicContact CZ2-CD1 3.6Å; W214-I243 HydrophobicContact CZ2-CG1 3.94Å; W214-I243 HydrophobicContact CZ2-CG2 3.94Å; F231-I243 HydrophobicContact CB-CG1 4.4Å; F231-I243 HydrophobicContact CD1-CG1 3.92Å; F231-I243 HydrophobicContact CD2-CG1 4.16Å; F231-I243 HydrophobicContact CE1-CB 4.43Å; F231-I243 HydrophobicContact CE1-CG1 4.17Å; F231-I243 HydrophobicContact CE2-CG1 4.39Å; F231-I243 HydrophobicContact CG-CG1 3.92Å; F231-I243 HydrophobicContact CZ-CG1 4.4Å; Q239-I243 HydrophobicContact CG-CD1 4.39Å; Q239-I243 WeakPolarHBondContact O-CG1 3.37Å; Q239-I243 PolarHBondContact O-N 3.12Å; Q239-I243 VanDerWaalsContact O-N 3.12Å; L240-I243 PolarHBondContact O-N 3.09Å; V241-I243 VanDerWaalsContact C-N 3.32Å; V241-I243 PolarHBondContact O-N 3.39Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 3.38Å; I243-V246 PolarHBondContact O-N 3.23Å; I243-L247 HydrophobicContact CG2-CD1 3.77Å; I243-L247 HydrophobicContact CG2-CG 4.23Å; I243-L247 PolarHBondContact O-N 3.2Å; I243-Y305 HydrophobicContact CG2-CE1 3.75Å
244A98.6Very high98.2Very high0 Ų041.8 Ų41.80%019%0.193CC..Hα-helixtrans-59.5-34.3177.700000113.6L240 V241 V246 G248 T249 L252 L271 H274 Y305L240-A244 WeakPolarHBondContact O-CB 3.28Å; L240-A244 PolarHBondContact O-N 3.13Å; V241-A244 PolarHBondContact O-N 2.93Å; A244-V246 PolarHBondContact O-N 3.13Å; A244-V246 VanDerWaalsContact O-N 3.15Å; A244-G248 CarbonylContact O-C 3.54Å; A244-G248 WeakPolarHBondContact O-CA 3.37Å; A244-G248 PolarHBondContact O-N 3.12Å; A244-T249 HydrophobicContact CB-CG2 3.98Å; A244-L252 HydrophobicContact CB-CD2 4.46Å; A244-L271 HydrophobicContact CB-CD1 3.68Å; A244-H274 VanDerWaalsContact O-CB 3.25Å; A244-H274 WeakPolarHBondContact O-CB 3.46Å; A244-Y305 WeakPolarHBondContact CA-OH 3.28Å; A244-Y305 PolarHBondContact N-OH 3.44Å
245K98.3Very high98.2Very high74 Ų7436.2 Ų36.232%0.32217%0.167SC..Hα-helixtrans-65.6-11.6173.4-79.1174.9177.8170.80114.3V241 I243 H274 K277V241-K245 HydrophobicContact CG1-CD 4.17Å; V241-K245 HydrophobicContact CG1-CG 4.49Å; V241-K245 WeakPolarHBondContact O-CB 3.27Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.27Å; V241-K245 PolarHBondContact O-N 3.48Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 3.38Å; K245-H274 WeakPolarHBondContact CG-NE2 3.14Å; K245-K277 WeakPolarHBondContact O-CD 2.99Å; K245-K277 WeakPolarHBondContact O-CE 3.17Å; K245-K277 PolarHBondContact O-NZ 2.89Å
246V98.5Very high98.3Very high12 Ų1234.3 Ų34.37%0.07316%0.157CC..Hα-helixtrans-112-53.8177.5-179.80000110.7F230 F231 I243 A244 G248 K277 W279 F282F230-V246 HydrophobicContact CE1-CG1 4.33Å; F231-V246 HydrophobicContact CD1-CG2 4.38Å; F231-V246 HydrophobicContact CE1-CB 3.85Å; F231-V246 HydrophobicContact CE1-CG1 4.29Å; F231-V246 HydrophobicContact CE1-CG2 3.76Å; I243-V246 PolarHBondContact O-N 3.23Å; A244-V246 PolarHBondContact O-N 3.13Å; A244-V246 VanDerWaalsContact O-N 3.15Å; V246-G248 VanDerWaalsContact C-N 3.32Å; V246-K277 PolarHBondContact O-N 2.99Å; V246-W279 HydrophobicContact CG1-CH2 3.98Å; V246-W279 HydrophobicContact CG1-CZ3 3.75Å; V246-F282 HydrophobicContact CB-CZ 4.42Å; V246-F282 HydrophobicContact CG1-CE2 3.81Å; V246-F282 HydrophobicContact CG1-CZ 3.77Å; V246-F282 HydrophobicContact CG2-CZ 3.88Å
247L98.6Very high98.3Very high2 Ų237.4 Ų37.41%0.0118%0.178CC..Hα-helixtrans-84-7.8-176-59.8-175.1000113.6W214 I243 K276 W279 L303 Y305W214-L247 HydrophobicContact CH2-CD1 3.66Å; W214-L247 HydrophobicContact CZ3-CD1 3.94Å; I243-L247 HydrophobicContact CG2-CD1 3.77Å; I243-L247 HydrophobicContact CG2-CG 4.23Å; I243-L247 PolarHBondContact O-N 3.2Å; L247-K276 WeakPolarHBondContact O-CB 3.1Å; L247-K276 WeakPolarHBondContact O-CG 3.22Å; L247-W279 HydrophobicContact CD2-CH2 3.68Å; L247-W279 HydrophobicContact CD2-CZ2 3.58Å; L247-L303 VanDerWaalsContact CD1-O 3.31Å; L247-L303 WeakPolarHBondContact CD1-O 3.5Å; L247-Y305 HydrophobicContact CB-CD2 4.25Å; L247-Y305 HydrophobicContact CB-CE2 3.38Å; L247-Y305 HydrophobicContact CD1-CD2 4.4Å; L247-Y305 HydrophobicContact CD1-CE2 4.07Å; L247-Y305 HydrophobicContact CG-CE2 4.38Å
248G98.3Very high98.2Very high3 Ų339.9 Ų39.93%0.03119%0.189CC..  trans80.8165.2-176.700000112.8A244 V246 H274 Y305A244-G248 CarbonylContact O-C 3.54Å; A244-G248 WeakPolarHBondContact O-CA 3.37Å; A244-G248 PolarHBondContact O-N 3.12Å; V246-G248 VanDerWaalsContact C-N 3.32Å; G248-H274 CarbonylContact C-O 3.53Å; G248-H274 WeakPolarHBondContact CA-O 2.91Å; G248-Y305 WeakPolarHBondContact O-CE2 3.44Å; G248-Y305 PolarHBondContact O-OH 3.27Å; G248-Y305 VanDerWaalsContact O-OH 3.13Å
249T98.2Very high98.2Very high9 Ų939.9 Ų39.96%0.05519%0.188CC..SBendtrans-93.5-19.1-178.348.50000113.4A244 L252 F253 L271 H274A244-T249 HydrophobicContact CB-CG2 3.98Å; T249-L252 PolarHBondContact O-N 3.08Å; T249-F253 WeakPolarHBondContact O-CD2 3.43Å; T249-F253 WeakPolarHBondContact O-CG 3.33Å; T249-F253 PolarHBondContact O-N 2.81Å; T249-L271 HydrophobicContact CG2-CG 4.23Å; T249-H274 HydrophobicContact CG2-CB 4.08Å; T249-H274 PolarHBondContact N-O 2.99Å; T249-H274 PolarHBondContact OG1-N 3.08Å; T249-H274 PolarHBondContact OG1-O 3.46Å
250E98.2Very high98.2Very high143 Ų14345 Ų4567%0.66821%0.212SC*.Hα-helixtrans-64.9-54.4-177.3-173.6175.6176.900112.2L252 F253 Q254E250-L252 PolarHBondContact O-N 3.48Å; E250-F253 PolarHBondContact O-N 3.47Å; E250-F253 VanDerWaalsContact O-N 3.13Å; E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 2.87Å
251E98Very high98.1Very high52 Ų5245.8 Ų45.824%0.24322%0.216CC..Hα-helixtrans-61.9-32.1176.5-68.4-179.7-176.600111.8Q254 Y255 K276 R304 Y305E251-Q254 PolarHBondContact O-N 2.81Å; E251-Y255 WeakPolarHBondContact O-CB 3.23Å; E251-Y255 PolarHBondContact O-N 2.87Å; E251-K276 VanDerWaalsContact CD-NZ 3.25Å; E251-K276 IonicContact OE1-NZ 3.47Å; E251-K276 PolarHBondContact OE1-NZ 3.05Å; E251-K276 IonicContact OE2-NZ 3.09Å; E251-K276 PolarHBondContact OE2-NZ 3.45Å; E251-R304 IonicContact OE1-NH1 2.7Å; E251-Y305 HydrophobicContact CB-CD2 3.73Å; E251-Y305 HydrophobicContact CB-CE2 4.29Å
252L98.4Very high97.9Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-62.9-48.4172.9174.258.4000111.4L240 A244 T249 E250 Q254 Y255 L256 L271 Y305L240-L252 HydrophobicContact CD1-CD1 4.36Å; L240-L252 HydrophobicContact CD1-CD2 4.35Å; L240-L252 HydrophobicContact CD2-CD2 4.49Å; L240-L252 HydrophobicContact CG-CD2 4.41Å; A244-L252 HydrophobicContact CB-CD2 4.46Å; T249-L252 PolarHBondContact O-N 3.08Å; E250-L252 PolarHBondContact O-N 3.48Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.89Å; L252-Y255 WeakPolarHBondContact O-CB 3.36Å; L252-Y255 PolarHBondContact O-N 2.89Å; L252-L256 HydrophobicContact CD1-CD1 4.26Å; L252-L256 HydrophobicContact CD1-CG 4.2Å; L252-L256 HydrophobicContact CG-CD1 4.21Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 3.23Å; L252-L271 HydrophobicContact CD2-CD1 4.06Å; L252-L271 HydrophobicContact CD2-CD2 3.85Å; L252-Y305 HydrophobicContact CB-CD1 4.12Å; L252-Y305 HydrophobicContact CB-CD2 4.15Å; L252-Y305 HydrophobicContact CB-CE1 3.87Å; L252-Y305 HydrophobicContact CB-CE2 3.85Å; L252-Y305 HydrophobicContact CB-CG 4.25Å; L252-Y305 HydrophobicContact CD1-CD1 3.76Å; L252-Y305 HydrophobicContact CD1-CE1 3.75Å; L252-Y305 HydrophobicContact CD1-CG 4.49Å; L252-Y305 HydrophobicContact CD2-CE1 4.37Å; L252-Y305 HydrophobicContact CG-CD1 4.49Å; L252-Y305 HydrophobicContact CG-CE1 4.2Å
253F98.1Very high97.8Very high90 Ų9048.8 Ų48.840%0.39524%0.244SC..Hα-helixtrans-68.1-33179.4-67.9-52.3000112.6T249 E250 L256 T257 L271T249-F253 WeakPolarHBondContact O-CD2 3.43Å; T249-F253 WeakPolarHBondContact O-CG 3.33Å; T249-F253 PolarHBondContact O-N 2.81Å; E250-F253 PolarHBondContact O-N 3.47Å; E250-F253 VanDerWaalsContact O-N 3.13Å; F253-L256 HydrophobicContact CD1-CD1 3.99Å; F253-L256 HydrophobicContact CE1-CD1 4.45Å; F253-L256 PolarHBondContact O-N 2.81Å; F253-T257 WeakPolarHBondContact O-CB 3.4Å; F253-T257 PolarHBondContact O-N 3Å; F253-T257 PolarHBondContact O-OG1 2.94Å; F253-L271 HydrophobicContact CE1-CD2 4.04Å; F253-L271 HydrophobicContact CZ-CD2 3.89Å
254Q98.1Very high97.6Very high110 Ų11050.9 Ų50.951%0.51426%0.255SS..Hα-helixtrans-62.1-45.9171-69.9171.53.400111.1E250 E251 L252 T257 K258E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 2.87Å; E251-Q254 PolarHBondContact O-N 2.81Å; L252-Q254 VanDerWaalsContact C-N 3.33Å; L252-Q254 PolarHBondContact O-N 2.89Å; Q254-T257 PolarHBondContact O-N 2.54Å; Q254-K258 WeakPolarHBondContact O-CB 3.22Å; Q254-K258 PolarHBondContact O-N 3.01Å
255Y98.2Very high97.5Very high3 Ų355.4 Ų55.41%0.01228%0.284CS..Hα-helixtrans-59.1-48.2174.5170.1-117.5000112.2P198 V202 E251 L252 T257 K258 Y259 I261 D306 H307P198-Y255 HydrophobicContact CB-CE1 4.46Å; V202-Y255 HydrophobicContact CG2-CE1 4.15Å; E251-Y255 WeakPolarHBondContact O-CB 3.23Å; E251-Y255 PolarHBondContact O-N 2.87Å; L252-Y255 WeakPolarHBondContact O-CB 3.36Å; L252-Y255 PolarHBondContact O-N 2.89Å; Y255-T257 VanDerWaalsContact C-N 3.32Å; Y255-T257 PolarHBondContact O-N 2.99Å; Y255-K258 PolarHBondContact O-N 3.22Å; Y255-Y259 AromaticContact CD2-CD2 3.41Å; Y255-Y259 HydrophobicContact CD2-CD2 3.41Å; Y255-Y259 VanDerWaalsContact CD2-CD2 3.41Å; Y255-Y259 AromaticContact CD2-CE2 3.61Å; Y255-Y259 HydrophobicContact CD2-CE2 3.61Å; Y255-Y259 AromaticContact CE2-CD2 3.24Å; Y255-Y259 HydrophobicContact CE2-CD2 3.24Å; Y255-Y259 AromaticContact CE2-CE2 3.46Å; Y255-Y259 HydrophobicContact CE2-CE2 3.46Å; Y255-Y259 VanDerWaalsContact CE2-CE2 3.46Å; Y255-Y259 HydrophobicContact CE2-CG 4.12Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.26Å; Y255-Y259 PolarHBondContact O-N 3.44Å; Y255-I261 HydrophobicContact CE1-CD1 3.94Å; Y255-I261 HydrophobicContact CE2-CD1 4.48Å; Y255-D306 HydrophobicContact CD2-CB 4.18Å; Y255-H307 AromaticContact CE2-CE1 3.93Å; Y255-H307 AromaticContact CE2-ND1 3.45Å; Y255-H307 WeakPolarHBondContact CE2-ND1 3.45Å; Y255-H307 AromaticContact CZ-ND1 3.88Å
256L98Very high97.3Very high12 Ų1259 Ų596%0.06330%0.296CS..Hα-helixtrans-59.9-42.7177.6-67.4173.2000111.9V202 L252 F253 E260 I261 L263V202-L256 HydrophobicContact CB-CD2 4.06Å; V202-L256 HydrophobicContact CG1-CD2 3.99Å; V202-L256 HydrophobicContact CG2-CD2 4.22Å; L252-L256 HydrophobicContact CD1-CD1 4.26Å; L252-L256 HydrophobicContact CD1-CG 4.2Å; L252-L256 HydrophobicContact CG-CD1 4.21Å; L252-L256 VanDerWaalsContact O-CG 3.3Å; L252-L256 WeakPolarHBondContact O-CG 3.4Å; L252-L256 PolarHBondContact O-N 3.23Å; F253-L256 HydrophobicContact CD1-CD1 3.99Å; F253-L256 HydrophobicContact CE1-CD1 4.45Å; F253-L256 PolarHBondContact O-N 2.81Å; L256-E260 PolarHBondContact O-N 3.17Å; L256-I261 HydrophobicContact CD2-CB 3.69Å; L256-I261 HydrophobicContact CD2-CD1 4.34Å; L256-I261 HydrophobicContact CD2-CG2 3.63Å; L256-I261 PolarHBondContact O-N 2.82Å; L256-L263 HydrophobicContact CD1-CB 4.31Å; L256-L263 HydrophobicContact CD1-CD1 4.32Å; L256-L263 HydrophobicContact CD1-CD2 4.14Å; L256-L263 HydrophobicContact CD1-CG 4.49Å; L256-L263 HydrophobicContact CD2-CD1 4.36Å
257T97.7Very high97.2Very high110 Ų11058.8 Ų58.868%0.67529%0.294SS*.Hα-helixtrans-65.7-46177.6-55.50000111.2F253 Q254 Y255 Y259 E260F253-T257 WeakPolarHBondContact O-CB 3.4Å; F253-T257 PolarHBondContact O-N 3Å; F253-T257 PolarHBondContact O-OG1 2.94Å; Q254-T257 PolarHBondContact O-N 2.54Å; Y255-T257 VanDerWaalsContact C-N 3.32Å; Y255-T257 PolarHBondContact O-N 2.99Å; T257-Y259 VanDerWaalsContact C-N 3.25Å; T257-Y259 PolarHBondContact O-N 2.92Å; T257-E260 PolarHBondContact O-N 3.19Å
258K97.6Very high96.8Very high102 Ų10265.1 Ų65.144%0.44333%0.328SS..Hα-helixtrans-57.8-37-179.1177178.3172.9-1780112.7L3 Q254 Y255 D306L3-K258 WeakPolarHBondContact CD1-O 3.38Å; Q254-K258 WeakPolarHBondContact O-CB 3.22Å; Q254-K258 PolarHBondContact O-N 3.01Å; Y255-K258 PolarHBondContact O-N 3.22Å; K258-D306 WeakPolarHBondContact CD-OD2 3.38Å; K258-D306 WeakPolarHBondContact CE-OD2 3.35Å; K258-D306 IonicContact NZ-OD1 3.58Å; K258-D306 IonicContact NZ-OD2 3.56Å; K258-D306 PolarHBondContact NZ-OD2 3Å
259Y97.5Very high96.5Very high13 Ų1373.7 Ų73.75%0.05137%0.367CS..THydrogen-bonded Turntrans-104.910-177.7-69.4-83.7000113.5P2 L3 Y204 Y255 T257 I261 D306 H307P2-Y259 CarbonylContact C-O 3.54Å; P2-Y259 WeakPolarHBondContact CA-O 3.13Å; P2-Y259 WeakPolarHBondContact CB-O 3.23Å; L3-Y259 PolarHBondContact N-O 3.48Å; Y204-Y259 HydrophobicContact CE2-CD1 4.3Å; Y255-Y259 AromaticContact CD2-CD2 3.41Å; Y255-Y259 HydrophobicContact CD2-CD2 3.41Å; Y255-Y259 VanDerWaalsContact CD2-CD2 3.41Å; Y255-Y259 AromaticContact CD2-CE2 3.61Å; Y255-Y259 HydrophobicContact CD2-CE2 3.61Å; Y255-Y259 AromaticContact CE2-CD2 3.24Å; Y255-Y259 HydrophobicContact CE2-CD2 3.24Å; Y255-Y259 AromaticContact CE2-CE2 3.46Å; Y255-Y259 HydrophobicContact CE2-CE2 3.46Å; Y255-Y259 VanDerWaalsContact CE2-CE2 3.46Å; Y255-Y259 HydrophobicContact CE2-CG 4.12Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.26Å; Y255-Y259 PolarHBondContact O-N 3.44Å; T257-Y259 VanDerWaalsContact C-N 3.25Å; T257-Y259 PolarHBondContact O-N 2.92Å; Y259-I261 PolarHBondContact O-N 2.92Å; Y259-D306 PolarHBondContact OH-OD1 2.95Å; Y259-H307 AromaticContact CE1-CE1 3.48Å; Y259-H307 VanDerWaalsContact CE1-CE1 3.48Å; Y259-H307 WeakPolarHBondContact CE1-CE1 3.23Å; Y259-H307 AromaticContact CE1-NE2 3.83Å; Y259-H307 AromaticContact CE2-CE1 3.7Å; Y259-H307 AromaticContact CZ-CE1 3.28Å; Y259-H307 AromaticContact CZ-NE2 3.74Å; Y259-H307 PolarHBondContact OH-CE1 2.88Å
260E97.3Very high96.4Very high109 Ų10976.8 Ų76.851%0.50938%0.382SS..THydrogen-bonded Turntrans51.740.3-178.5-58.8-178-16900113.3L3 L256 T257L3-E260 HydrophobicContact CD1-CG 4.04Å; L3-E260 HydrophobicContact CG-CG 4.04Å; L256-E260 PolarHBondContact O-N 3.17Å; T257-E260 PolarHBondContact O-N 3.19Å
261I97Very high96.2Very high16 Ų1670.2 Ų70.28%0.08235%0.352CS..  trans-87.3118.1-178.5-58.6165.9000109.2P2 V202 Y204 Y255 L256 Y259P2-I261 HydrophobicContact CB-CG1 4.36Å; V202-I261 HydrophobicContact CB-CG2 4.03Å; V202-I261 HydrophobicContact CG2-CD1 3.97Å; V202-I261 HydrophobicContact CG2-CG2 3.9Å; Y204-I261 HydrophobicContact CD2-CD1 3.7Å; Y204-I261 HydrophobicContact CD2-CG1 3.84Å; Y204-I261 HydrophobicContact CE2-CD1 4.49Å; Y204-I261 HydrophobicContact CG-CD1 3.93Å; Y204-I261 HydrophobicContact CG-CG1 4.49Å; Y255-I261 HydrophobicContact CE1-CD1 3.94Å; Y255-I261 HydrophobicContact CE2-CD1 4.48Å; L256-I261 HydrophobicContact CD2-CB 3.69Å; L256-I261 HydrophobicContact CD2-CD1 4.34Å; L256-I261 HydrophobicContact CD2-CG2 3.63Å; L256-I261 PolarHBondContact O-N 2.82Å; Y259-I261 PolarHBondContact O-N 2.92Å
262V95.4Very high95.9Very high136 Ų13669.9 Ų69.982%0.82436%0.363SS*.  trans-84.4115172.5-177.90000109
263L95Very high95.8Very high28 Ų2881 Ų8115%0.14741%0.405CS..  trans-73.3143.2179.7-162.366000111V202 L240 L256 F267 L271V202-L263 HydrophobicContact CB-CD1 4.05Å; V202-L263 HydrophobicContact CG1-CD1 3.68Å; L240-L263 HydrophobicContact CD2-CD1 4.11Å; L256-L263 HydrophobicContact CD1-CB 4.31Å; L256-L263 HydrophobicContact CD1-CD1 4.32Å; L256-L263 HydrophobicContact CD1-CD2 4.14Å; L256-L263 HydrophobicContact CD1-CG 4.49Å; L256-L263 HydrophobicContact CD2-CD1 4.36Å; L263-F267 HydrophobicContact CD1-CD2 3.67Å; L263-F267 HydrophobicContact CD1-CE2 3.89Å; L263-F267 HydrophobicContact CD1-CG 4.25Å; L263-F267 HydrophobicContact CD2-CB 3.43Å; L263-F267 VanDerWaalsContact CD2-CB 3.43Å; L263-F267 HydrophobicContact CD2-CD2 3.91Å; L263-F267 HydrophobicContact CD2-CG 3.72Å; L263-F267 HydrophobicContact CG-CB 3.85Å; L263-F267 HydrophobicContact CG-CD2 3.46Å; L263-F267 VanDerWaalsContact CG-CD2 3.46Å; L263-F267 HydrophobicContact CG-CE2 4.2Å; L263-F267 HydrophobicContact CG-CG 3.83Å; L263-L271 HydrophobicContact CD2-CD2 3.95Å
264D95.9Very high95.7Very high44 Ų4479.3 Ų79.324%0.23540%0.398CS..  trans-56.2130.3175.7-177.4-43.7000109.8Y237 R266 F267Y237-D264 HydrophobicContact CE1-CB 4.07Å; Y237-D264 PolarHBondContact OH-OD2 3.17Å; D264-R266 PolarHBondContact O-N 3.49Å; D264-R266 VanDerWaalsContact OD1-CB 3.27Å; D264-R266 WeakPolarHBondContact OD1-CB 3.5Å; D264-R266 WeakPolarHBondContact OD1-CG 3.28Å; D264-R266 PolarHBondContact OD1-N 2.96Å; D264-R266 IonicContact OD1-NE 3.22Å; D264-R266 PolarHBondContact OD1-NE 3.4Å; D264-R266 IonicContact OD2-CZ 3.13Å; D264-R266 IonicContact OD2-NE 3.14Å; D264-R266 PolarHBondContact OD2-NE 3.12Å; D264-R266 VanDerWaalsContact OD2-NE 3.14Å; D264-R266 IonicContact OD2-NH2 3.03Å; D264-R266 PolarHBondContact OD2-NH2 3.2Å; D264-R266 VanDerWaalsContact OD2-NH2 3.09Å; D264-F267 HydrophobicContact CB-CD2 3.97Å; D264-F267 HydrophobicContact CB-CE2 4.2Å; D264-F267 WeakPolarHBondContact O-CB 3.46Å; D264-F267 WeakPolarHBondContact O-CD2 3.48Å; D264-F267 PolarHBondContact O-N 2.84Å
265P94.9Very high95.7Very high95 Ų9579.9 Ų79.962%0.61741%0.409SS*.THydrogen-bonded Turntrans-54.3-23.5-178.1-28.335.2000114.8F267 N268P265-F267 PolarHBondContact O-N 3.46Å; P265-F267 VanDerWaalsContact O-N 3.14Å; P265-N268 VanDerWaalsContact O-CB 3.23Å; P265-N268 WeakPolarHBondContact O-CB 3.43Å; P265-N268 VanDerWaalsContact O-CG 3.27Å; P265-N268 PolarHBondContact O-N 2.76Å; P265-N268 PolarHBondContact O-ND2 2.86Å
266R94.6Very high95.7Very high151 Ų15183.2 Ų83.257%0.5742%0.424SS*.THydrogen-bonded Turntrans-55.8-26.6172.9-74.4179.6-98.4-164.3-6.4113.1Y237 D264 N268Y237-R266 HydrophobicContact CD1-CB 4.08Å; Y237-R266 HydrophobicContact CE1-CB 3.78Å; Y237-R266 PolarHBondContact OH-NE 2.87Å; Y237-R266 VanDerWaalsContact OH-NE 3.08Å; Y237-R266 PolarHBondContact OH-NH1 3.31Å; Y237-R266 PolarHBondContact OH-NH2 2.79Å; D264-R266 PolarHBondContact O-N 3.49Å; D264-R266 VanDerWaalsContact OD1-CB 3.27Å; D264-R266 WeakPolarHBondContact OD1-CB 3.5Å; D264-R266 WeakPolarHBondContact OD1-CG 3.28Å; D264-R266 PolarHBondContact OD1-N 2.96Å; D264-R266 IonicContact OD1-NE 3.22Å; D264-R266 PolarHBondContact OD1-NE 3.4Å; D264-R266 IonicContact OD2-CZ 3.13Å; D264-R266 IonicContact OD2-NE 3.14Å; D264-R266 PolarHBondContact OD2-NE 3.12Å; D264-R266 VanDerWaalsContact OD2-NE 3.14Å; D264-R266 IonicContact OD2-NH2 3.03Å; D264-R266 PolarHBondContact OD2-NH2 3.2Å; D264-R266 VanDerWaalsContact OD2-NH2 3.09Å; R266-N268 VanDerWaalsContact C-N 3.27Å; R266-N268 PolarHBondContact O-N 3.23Å
267F96Very high95.7Very high6 Ų685.6 Ų85.63%0.02643%0.434CS..Hα-helixtrans-70.7-20.4177.1-74.5-71.3000114Y237 L240 L263 D264 P265 E269 I270 L271Y237-F267 HydrophobicContact CD1-CD1 4.3Å; Y237-F267 HydrophobicContact CD1-CD2 4.02Å; Y237-F267 AromaticContact CD1-CE1 3.8Å; Y237-F267 HydrophobicContact CD1-CE1 3.8Å; Y237-F267 AromaticContact CD1-CE2 3.55Å; Y237-F267 HydrophobicContact CD1-CE2 3.55Å; Y237-F267 HydrophobicContact CD1-CG 4.41Å; Y237-F267 AromaticContact CD1-CZ 3.43Å; Y237-F267 HydrophobicContact CD1-CZ 3.43Å; Y237-F267 VanDerWaalsContact CD1-CZ 3.43Å; Y237-F267 HydrophobicContact CE1-CD2 4.18Å; Y237-F267 AromaticContact CE1-CE2 3.73Å; Y237-F267 HydrophobicContact CE1-CE2 3.73Å; Y237-F267 HydrophobicContact CE1-CZ 4.06Å; Y237-F267 HydrophobicContact CG-CE1 4.42Å; Y237-F267 HydrophobicContact CG-CZ 4.2Å; L240-F267 HydrophobicContact CB-CE1 3.81Å; L240-F267 HydrophobicContact CB-CZ 4.09Å; L240-F267 HydrophobicContact CD2-CD1 4.16Å; L240-F267 HydrophobicContact CD2-CE1 3.6Å; L240-F267 HydrophobicContact CD2-CE2 4.21Å; L240-F267 HydrophobicContact CD2-CZ 3.59Å; L240-F267 HydrophobicContact CG-CE1 4.19Å; L240-F267 HydrophobicContact CG-CZ 4.46Å; L263-F267 HydrophobicContact CD1-CD2 3.67Å; L263-F267 HydrophobicContact CD1-CE2 3.89Å; L263-F267 HydrophobicContact CD1-CG 4.25Å; L263-F267 HydrophobicContact CD2-CB 3.43Å; L263-F267 VanDerWaalsContact CD2-CB 3.43Å; L263-F267 HydrophobicContact CD2-CD2 3.91Å; L263-F267 HydrophobicContact CD2-CG 3.72Å; L263-F267 HydrophobicContact CG-CB 3.85Å; L263-F267 HydrophobicContact CG-CD2 3.46Å; L263-F267 VanDerWaalsContact CG-CD2 3.46Å; L263-F267 HydrophobicContact CG-CE2 4.2Å; L263-F267 HydrophobicContact CG-CG 3.83Å; D264-F267 HydrophobicContact CB-CD2 3.97Å; D264-F267 HydrophobicContact CB-CE2 4.2Å; D264-F267 WeakPolarHBondContact O-CB 3.46Å; D264-F267 WeakPolarHBondContact O-CD2 3.48Å; D264-F267 PolarHBondContact O-N 2.84Å; P265-F267 PolarHBondContact O-N 3.46Å; P265-F267 VanDerWaalsContact O-N 3.14Å; F267-E269 PolarHBondContact O-N 3.03Å; F267-I270 HydrophobicContact CD1-CD1 3.89Å; F267-I270 HydrophobicContact CD1-CG1 4.08Å; F267-I270 HydrophobicContact CE1-CD1 4.19Å; F267-I270 PolarHBondContact O-N 3.5Å; F267-L271 HydrophobicContact CB-CB 4.4Å; F267-L271 VanDerWaalsContact O-CB 3.26Å; F267-L271 WeakPolarHBondContact O-CB 3.44Å; F267-L271 PolarHBondContact O-N 3.44Å
268N91.7Very high95.7Very high136 Ų13689 Ų8973%0.72743%0.434SS*.Hα-helixtrans-58.6-32.9-179.3-66.7-17.3000112.3P265 R266P265-N268 VanDerWaalsContact O-CB 3.23Å; P265-N268 WeakPolarHBondContact O-CB 3.43Å; P265-N268 VanDerWaalsContact O-CG 3.27Å; P265-N268 PolarHBondContact O-N 2.76Å; P265-N268 PolarHBondContact O-ND2 2.86Å; R266-N268 VanDerWaalsContact C-N 3.27Å; R266-N268 PolarHBondContact O-N 3.23Å
269E91.2Very high95.8Very high183 Ų18384.8 Ų84.886%0.85542%0.415SS*.Hα-helixtrans-90.7-24.4-177.3-63.5179.1-179.500113.3F267F267-E269 PolarHBondContact O-N 3.03Å
270I95.3Very high95.8Very high73 Ų7388.4 Ų88.437%0.37443%0.433SS..Hα-helixtrans-114-23.6-16764.5173.7000114.8Y237 V241 F267Y237-I270 HydrophobicContact CD1-CD1 4.38Å; Y237-I270 HydrophobicContact CG-CD1 4.41Å; V241-I270 HydrophobicContact CG2-CB 4.24Å; V241-I270 HydrophobicContact CG2-CD1 3.98Å; V241-I270 HydrophobicContact CG2-CG1 3.92Å; F267-I270 HydrophobicContact CD1-CD1 3.89Å; F267-I270 HydrophobicContact CD1-CG1 4.08Å; F267-I270 HydrophobicContact CE1-CD1 4.19Å; F267-I270 PolarHBondContact O-N 3.5Å
271L94.1Very high95.8Very high5 Ų591.7 Ų91.73%0.02644%0.44CS..  trans-76-38.1-172.7-170.764.9000112V241 A244 T249 L252 F253 L263 F267 H274V241-L271 HydrophobicContact CG2-CD1 4.32Å; A244-L271 HydrophobicContact CB-CD1 3.68Å; T249-L271 HydrophobicContact CG2-CG 4.23Å; L252-L271 HydrophobicContact CD2-CD1 4.06Å; L252-L271 HydrophobicContact CD2-CD2 3.85Å; F253-L271 HydrophobicContact CE1-CD2 4.04Å; F253-L271 HydrophobicContact CZ-CD2 3.89Å; L263-L271 HydrophobicContact CD2-CD2 3.95Å; F267-L271 HydrophobicContact CB-CB 4.4Å; F267-L271 VanDerWaalsContact O-CB 3.26Å; F267-L271 WeakPolarHBondContact O-CB 3.44Å; F267-L271 PolarHBondContact O-N 3.44Å; L271-H274 PolarHBondContact O-CD2 3.07Å; L271-H274 VanDerWaalsContact O-CD2 3.23Å; L271-H274 PolarHBondContact O-NE2 3.37Å; L271-H274 VanDerWaalsContact O-NE2 3.13Å
272G92.3Very high95.9Very high46 Ų4692.6 Ų92.647%0.47444%0.444SS..  trans58.4-160.8-178.100000113.4
273R95.7Very high96Very high232 Ų23288.5 Ų88.588%0.87542%0.419SS*.  trans-114.9131.6168.7-71.4-173.9177.2-168.7-0.7109.4
274H97.4Very high96.1Very high56 Ų5691.1 Ų91.126%0.25943%0.43SS..  trans-132.7135.8179.7-63.5-55.4000110.7A244 K245 G248 T249 L271A244-H274 VanDerWaalsContact O-CB 3.25Å; A244-H274 WeakPolarHBondContact O-CB 3.46Å; K245-H274 WeakPolarHBondContact CG-NE2 3.14Å; G248-H274 CarbonylContact C-O 3.53Å; G248-H274 WeakPolarHBondContact CA-O 2.91Å; T249-H274 HydrophobicContact CG2-CB 4.08Å; T249-H274 PolarHBondContact N-O 2.99Å; T249-H274 PolarHBondContact OG1-N 3.08Å; T249-H274 PolarHBondContact OG1-O 3.46Å; L271-H274 PolarHBondContact O-CD2 3.07Å; L271-H274 VanDerWaalsContact O-CD2 3.23Å; L271-H274 PolarHBondContact O-NE2 3.37Å; L271-H274 VanDerWaalsContact O-NE2 3.13Å
275T97.5Very high96.2Very high121 Ų12192.8 Ų92.874%0.74245%0.45SS*.PPolyproline II helixtrans-81139169.6550000109.7K277T275-K277 PolarHBondContact O-N 3.17Å
276K98.1Very high96.2Very high73 Ų7394.5 Ų94.532%0.31745%0.45SS..PPolyproline II helixtrans-56.9129.8173.2-174.3164.5-179.6166.80110L247 E251 D300L247-K276 WeakPolarHBondContact O-CB 3.1Å; L247-K276 WeakPolarHBondContact O-CG 3.22Å; E251-K276 VanDerWaalsContact CD-NZ 3.25Å; E251-K276 IonicContact OE1-NZ 3.47Å; E251-K276 PolarHBondContact OE1-NZ 3.05Å; E251-K276 IonicContact OE2-NZ 3.09Å; E251-K276 PolarHBondContact OE2-NZ 3.45Å; K276-D300 IonicContact NZ-OD1 2.7Å
277K98.1Very high96.4Very high63 Ų6387.3 Ų87.327%0.27442%0.423SS..PPolyproline II helixtrans-88.2140.2175.4-70.7176.7179.2156.50109K245 V246 T275 F282K245-K277 WeakPolarHBondContact O-CD 2.99Å; K245-K277 WeakPolarHBondContact O-CE 3.17Å; K245-K277 PolarHBondContact O-NZ 2.89Å; V246-K277 PolarHBondContact O-N 2.99Å; T275-K277 PolarHBondContact O-N 3.17Å; K277-F282 HydrophobicContact CB-CE2 4.47Å; K277-F282 HydrophobicContact CD-CZ 4.17Å
278R98Very high96.5Very high182 Ų18292.7 Ų92.769%0.68745%0.448SS*.PPolyproline II helixtrans-65.4138.6165.4-74-168.567173.34.9110.5E280 R281R278-E280 WeakPolarHBondContact CB-OE2 3.41Å; R278-E280 IonicContact CZ-OE1 2.74Å; R278-E280 IonicContact CZ-OE2 3.31Å; R278-E280 IonicContact NE-OE1 2.84Å; R278-E280 IonicContact NE-OE2 3.44Å; R278-E280 PolarHBondContact NE-OE2 3.44Å; R278-E280 IonicContact NH2-OE1 3.22Å; R278-E280 PolarHBondContact NH2-OE1 3.22Å; R278-E280 IonicContact NH2-OE2 3.76Å; R278-E280 PolarHBondContact O-N 3.46Å; R278-R281 VanDerWaalsContact O-CB 3.25Å; R278-R281 WeakPolarHBondContact O-CB 3.23Å; R278-R281 PolarHBondContact O-N 2.73Å; R278-R281 VanDerWaalsContact O-N 3.14Å
279W98.4Very high96.7Very high12 Ų1291.4 Ų91.45%0.04544%0.438CS..G310 helixtrans-63-30.3-179.4-66.9116.7000112.7F225 F230 V246 L247 R281 F282 L296 L299 D300 L303F225-W279 AromaticContact CE2-CE3 3.91Å; F225-W279 HydrophobicContact CE2-CE3 3.91Å; F225-W279 HydrophobicContact CE2-CZ3 4.39Å; F225-W279 HydrophobicContact CZ-CB 4.24Å; F225-W279 HydrophobicContact CZ-CE3 4.13Å; F230-W279 AromaticContact CE1-CZ3 3.81Å; F230-W279 HydrophobicContact CE1-CZ3 3.81Å; F230-W279 HydrophobicContact CZ-CE3 4.43Å; F230-W279 AromaticContact CZ-CZ3 3.81Å; F230-W279 HydrophobicContact CZ-CZ3 3.81Å; V246-W279 HydrophobicContact CG1-CH2 3.98Å; V246-W279 HydrophobicContact CG1-CZ3 3.75Å; L247-W279 HydrophobicContact CD2-CH2 3.68Å; L247-W279 HydrophobicContact CD2-CZ2 3.58Å; W279-R281 PolarHBondContact O-N 3.49Å; W279-F282 HydrophobicContact CE3-CD2 4.08Å; W279-F282 HydrophobicContact CE3-CE2 4.1Å; W279-F282 HydrophobicContact CZ3-CE2 4.38Å; W279-F282 WeakPolarHBondContact O-CD2 3.2Å; W279-F282 PolarHBondContact O-N 3.34Å; W279-L296 HydrophobicContact CB-CB 4.32Å; W279-L296 HydrophobicContact CB-CD1 4.14Å; W279-L296 HydrophobicContact CB-CD2 3.8Å; W279-L296 HydrophobicContact CB-CG 4.31Å; W279-L299 HydrophobicContact CD2-CD2 4.04Å; W279-L299 HydrophobicContact CE3-CD2 3.81Å; W279-L299 HydrophobicContact CH2-CD2 4.32Å; W279-L299 HydrophobicContact CH2-CG 4.47Å; W279-L299 HydrophobicContact CZ2-CG 4.38Å; W279-L299 HydrophobicContact CZ3-CD2 3.96Å; W279-D300 PolarHBondContact NE1-OD1 3.09Å; W279-L303 HydrophobicContact CH2-CB 4.27Å; W279-L303 HydrophobicContact CH2-CD1 3.58Å; W279-L303 HydrophobicContact CZ2-CB 4.19Å; W279-L303 HydrophobicContact CZ2-CD1 4.21Å; W279-L303 HydrophobicContact CZ3-CD1 4.31Å
280E98Very high97.1Very high89 Ų8982.8 Ų82.842%0.41640%0.397SS..G310 helixtrans-57.6-22.1176.1-61.990148.600112.7R278 F282 V283 L296R278-E280 WeakPolarHBondContact CB-OE2 3.41Å; R278-E280 IonicContact CZ-OE1 2.74Å; R278-E280 IonicContact CZ-OE2 3.31Å; R278-E280 IonicContact NE-OE1 2.84Å; R278-E280 IonicContact NE-OE2 3.44Å; R278-E280 PolarHBondContact NE-OE2 3.44Å; R278-E280 IonicContact NH2-OE1 3.22Å; R278-E280 PolarHBondContact NH2-OE1 3.22Å; R278-E280 IonicContact NH2-OE2 3.76Å; R278-E280 PolarHBondContact O-N 3.46Å; E280-F282 PolarHBondContact O-N 2.91Å; E280-V283 WeakPolarHBondContact O-CB 3.29Å; E280-V283 PolarHBondContact O-N 2.97Å; E280-V283 VanDerWaalsContact O-N 3.12Å; E280-L296 HydrophobicContact CG-CD1 3.75Å
281R97.6Very high97.2Very high179 Ų17980.7 Ų80.768%0.67539%0.388SS*.G310 helixtrans-63.9-22175.4-178169.7176.41526113.4R278 W279R278-R281 VanDerWaalsContact O-CB 3.25Å; R278-R281 WeakPolarHBondContact O-CB 3.23Å; R278-R281 PolarHBondContact O-N 2.73Å; R278-R281 VanDerWaalsContact O-N 3.14Å; W279-R281 PolarHBondContact O-N 3.49Å
282F98.1Very high97.4Very high34 Ų3481.4 Ų81.415%0.14939%0.393CS..G310 helixtrans-93.31.3178.8-55.7-77.9000112.5F225 F230 V246 K277 W279 E280 H284 N287F225-F282 HydrophobicContact CB-CB 4.45Å; F225-F282 HydrophobicContact CD1-CB 3.53Å; F225-F282 HydrophobicContact CD2-CB 4.13Å; F225-F282 HydrophobicContact CE1-CB 3.67Å; F225-F282 HydrophobicContact CE2-CB 4.2Å; F225-F282 HydrophobicContact CE2-CD2 4.46Å; F225-F282 HydrophobicContact CG-CB 3.79Å; F225-F282 HydrophobicContact CZ-CB 4Å; F225-F282 HydrophobicContact CZ-CD2 4.44Å; F230-F282 HydrophobicContact CE2-CD1 4.04Å; F230-F282 HydrophobicContact CE2-CD2 4.45Å; F230-F282 HydrophobicContact CE2-CE1 4.36Å; F230-F282 HydrophobicContact CE2-CG 4.08Å; F230-F282 HydrophobicContact CZ-CD1 4.12Å; F230-F282 HydrophobicContact CZ-CD2 4.06Å; F230-F282 HydrophobicContact CZ-CE1 4.07Å; F230-F282 HydrophobicContact CZ-CE2 4.02Å; F230-F282 HydrophobicContact CZ-CG 4.12Å; F230-F282 HydrophobicContact CZ-CZ 4.02Å; V246-F282 HydrophobicContact CB-CZ 4.42Å; V246-F282 HydrophobicContact CG1-CE2 3.81Å; V246-F282 HydrophobicContact CG1-CZ 3.77Å; V246-F282 HydrophobicContact CG2-CZ 3.88Å; K277-F282 HydrophobicContact CB-CE2 4.47Å; K277-F282 HydrophobicContact CD-CZ 4.17Å; W279-F282 HydrophobicContact CE3-CD2 4.08Å; W279-F282 HydrophobicContact CE3-CE2 4.1Å; W279-F282 HydrophobicContact CZ3-CE2 4.38Å; W279-F282 WeakPolarHBondContact O-CD2 3.2Å; W279-F282 PolarHBondContact O-N 3.34Å; E280-F282 PolarHBondContact O-N 2.91Å; F282-H284 PolarHBondContact O-CD2 3.39Å; F282-N287 PolarHBondContact O-ND2 3.44Å
283V98.4Very high97.7Very high50 Ų5084 Ų8430%0.30340%0.402SS..  trans-86.3131.5177.2-174.20000109.8F225 E280 N287 Q288 V291F225-V283 HydrophobicContact CE1-CG2 4.17Å; E280-V283 WeakPolarHBondContact O-CB 3.29Å; E280-V283 PolarHBondContact O-N 2.97Å; E280-V283 VanDerWaalsContact O-N 3.12Å; V283-N287 WeakPolarHBondContact CA-OD1 3.39Å; V283-Q288 HydrophobicContact CG1-CB 3.87Å; V283-V291 HydrophobicContact CG2-CB 4.24Å; V283-V291 HydrophobicContact CG2-CG1 3.78Å; V283-V291 HydrophobicContact CG2-CG2 4.22Å
284H97.5Very high97.8Very high84 Ų8476.3 Ų76.339%0.38938%0.376SS..  trans-145.1174176.756.390.6000110.6F282 E286 N287 Q288F282-H284 PolarHBondContact O-CD2 3.39Å; H284-E286 IonicContact CE1-OE2 2.85Å; H284-E286 PolarHBondContact O-N 3.06Å; H284-N287 PolarHBondContact CD2-ND2 3.38Å; H284-N287 PolarHBondContact N-OD1 2.84Å; H284-N287 PolarHBondContact NE2-ND2 3.27Å; H284-N287 PolarHBondContact O-N 3.35Å; H284-N287 PolarHBondContact O-OD1 2.77Å; H284-Q288 WeakPolarHBondContact O-CB 3.47Å; H284-Q288 PolarHBondContact O-N 2.91Å
285A97.5Very high97.9Very high79 Ų7973.7 Ų73.765%0.65336%0.364SS*.THydrogen-bonded Turntrans-54.7-30.3-17200000114.5
286E95.5Very high97.9Very high131 Ų13168.7 Ų68.761%0.61233%0.332SS*.THydrogen-bonded Turntrans-85.8-10.6-176.8-52.9178.7175.300114.6R226 H284 H289R226-E286 WeakPolarHBondContact CD-O 3.4Å; R226-E286 PolarHBondContact NH1-O 2.98Å; H284-E286 IonicContact CE1-OE2 2.85Å; H284-E286 PolarHBondContact O-N 3.06Å; E286-H289 PolarHBondContact O-CE1 2.79Å
287N97.6Very high98Very high0 Ų068.3 Ų68.30%033%0.334CS..THydrogen-bonded Turntrans-129.1-9.8-176.977.17.1000113.8I224 F225 R226 F282 V283 H284 H289 L290I224-N287 WeakPolarHBondContact O-CB 3.28Å; F225-N287 WeakPolarHBondContact CA-ND2 3.41Å; F225-N287 PolarHBondContact O-ND2 2.83Å; F225-N287 VanDerWaalsContact O-ND2 3.1Å; R226-N287 HydrophobicContact CB-CB 4.43Å; R226-N287 HydrophobicContact CG-CB 4.14Å; F282-N287 PolarHBondContact O-ND2 3.44Å; V283-N287 WeakPolarHBondContact CA-OD1 3.39Å; H284-N287 PolarHBondContact CD2-ND2 3.38Å; H284-N287 PolarHBondContact N-OD1 2.84Å; H284-N287 PolarHBondContact NE2-ND2 3.27Å; H284-N287 PolarHBondContact O-N 3.35Å; H284-N287 PolarHBondContact O-OD1 2.77Å; N287-H289 PolarHBondContact O-N 3.06Å; N287-L290 WeakPolarHBondContact O-CB 3.43Å; N287-L290 PolarHBondContact O-N 2.77Å
288Q97.7Very high98Very high119 Ų11965.4 Ų65.456%0.55632%0.321SS*.G310 helixtrans-55-28.6-177.664.8-179.2-11.900114V283 H284 L290 V291V283-Q288 HydrophobicContact CG1-CB 3.87Å; H284-Q288 WeakPolarHBondContact O-CB 3.47Å; H284-Q288 PolarHBondContact O-N 2.91Å; Q288-L290 PolarHBondContact O-N 3.24Å; Q288-V291 PolarHBondContact O-N 2.91Å
289H97.6Very high98Very high109 Ų10956.7 Ų56.751%0.50529%0.288SS..G310 helixtrans-75-9.1177.765.2-73.5000113.8E286 N287E286-H289 PolarHBondContact O-CE1 2.79Å; N287-H289 PolarHBondContact O-N 3.06Å
290L98.2Very high98.1Very high1 Ų157.7 Ų57.71%0.00529%0.294CS..G310 helixtrans-103.3-3.8176.4-55.4177.9000112.7D128 I131 R226 N287 Q288D128-L290 HydrophobicContact CB-CD2 4.33Å; I131-L290 HydrophobicContact CD1-CB 4.4Å; I131-L290 HydrophobicContact CD1-CD1 4.07Å; I131-L290 HydrophobicContact CD1-CD2 4.05Å; I131-L290 HydrophobicContact CD1-CG 4.4Å; R226-L290 HydrophobicContact CG-CD1 4.1Å; N287-L290 WeakPolarHBondContact O-CB 3.43Å; N287-L290 PolarHBondContact O-N 2.77Å; Q288-L290 PolarHBondContact O-N 3.24Å
291V98.3Very high98.1Very high29 Ų2956.5 Ų56.518%0.17629%0.288CS..  trans-115.9127.1-172.6178.80000109.6I224 F225 V283 Q288 L296I224-V291 HydrophobicContact CB-CG2 4.21Å; F225-V291 HydrophobicContact CD1-CG2 4.35Å; F225-V291 HydrophobicContact CE1-CG2 4.26Å; V283-V291 HydrophobicContact CG2-CB 4.24Å; V283-V291 HydrophobicContact CG2-CG1 3.78Å; V283-V291 HydrophobicContact CG2-CG2 4.22Å; Q288-V291 PolarHBondContact O-N 2.91Å; V291-L296 HydrophobicContact CG1-CD1 3.91Å; V291-L296 HydrophobicContact CG1-CD2 3.48Å; V291-L296 VanDerWaalsContact CG1-CD2 3.48Å; V291-L296 HydrophobicContact CG1-CG 3.63Å
292S98Very high98.2Very high21 Ų2148 Ų4815%0.14726%0.256CS..  trans-128.6162.6172.382.40000110.1E294 S295 L296S292-E294 WeakPolarHBondContact CB-OE2 3.17Å; S292-E294 PolarHBondContact O-N 2.67Å; S292-E294 VanDerWaalsContact O-N 3.17Å; S292-E294 PolarHBondContact OG-N 2.85Å; S292-E294 PolarHBondContact OG-OE2 3.28Å; S292-S295 PolarHBondContact N-OG 3.15Å; S292-S295 PolarHBondContact O-N 3.08Å; S292-S295 PolarHBondContact O-OG 3.01Å; S292-S295 PolarHBondContact OG-N 2.92Å; S292-L296 PolarHBondContact O-N 3.35Å; S292-L296 VanDerWaalsContact O-N 3.1Å
293P98.4Very high98.2Very high101 Ų10146.4 Ų46.466%0.65625%0.249SC*.Hα-helixtrans-51.6-38.6174.3-27.636.3000112.6L296 D297P293-L296 PolarHBondContact O-N 3.05Å; P293-D297 VanDerWaalsContact O-CB 3.28Å; P293-D297 WeakPolarHBondContact O-CB 3.42Å; P293-D297 PolarHBondContact O-N 2.75Å
294E98.4Very high98.2Very high70 Ų7046.5 Ų46.533%0.32724%0.244SC..Hα-helixtrans-68.8-34177.9-54.875.7-164.100112.8S292 L298 H319 V320 Y321S292-E294 WeakPolarHBondContact CB-OE2 3.17Å; S292-E294 PolarHBondContact O-N 2.67Å; S292-E294 VanDerWaalsContact O-N 3.17Å; S292-E294 PolarHBondContact OG-N 2.85Å; S292-E294 PolarHBondContact OG-OE2 3.28Å; E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 2.88Å; E294-H319 PolarHBondContact O-CE1 2.82Å; E294-V320 HydrophobicContact CB-CG1 3.97Å; E294-V320 HydrophobicContact CG-CG1 3.66Å; E294-V320 HydrophobicContact CG-CG2 4.3Å; E294-Y321 HydrophobicContact CB-CD2 4.16Å
295S98.6Very high98.3Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-69.1-41.3177.182.30000110.6F220 S292 L299F220-S295 WeakPolarHBondContact CE1-O 3.37Å; S292-S295 PolarHBondContact N-OG 3.15Å; S292-S295 PolarHBondContact O-N 3.08Å; S292-S295 PolarHBondContact O-OG 3.01Å; S292-S295 PolarHBondContact OG-N 2.92Å; S295-L299 WeakPolarHBondContact O-CB 3.46Å; S295-L299 PolarHBondContact O-N 3.17Å
296L98.7Very high98.3Very high16 Ų1639.2 Ų39.28%0.08420%0.197CC..Hα-helixtrans-68.2-39.5177-61.2-170.7000111.8I224 F225 W279 E280 V291 S292 P293 L299 D300I224-L296 HydrophobicContact CD1-CD2 4.39Å; F225-L296 HydrophobicContact CE1-CD2 3.98Å; F225-L296 HydrophobicContact CZ-CD2 3.76Å; W279-L296 HydrophobicContact CB-CB 4.32Å; W279-L296 HydrophobicContact CB-CD1 4.14Å; W279-L296 HydrophobicContact CB-CD2 3.8Å; W279-L296 HydrophobicContact CB-CG 4.31Å; E280-L296 HydrophobicContact CG-CD1 3.75Å; V291-L296 HydrophobicContact CG1-CD1 3.91Å; V291-L296 HydrophobicContact CG1-CD2 3.48Å; V291-L296 VanDerWaalsContact CG1-CD2 3.48Å; V291-L296 HydrophobicContact CG1-CG 3.63Å; S292-L296 PolarHBondContact O-N 3.35Å; S292-L296 VanDerWaalsContact O-N 3.1Å; P293-L296 PolarHBondContact O-N 3.05Å; L296-L299 PolarHBondContact O-N 3.48Å; L296-D300 WeakPolarHBondContact O-CB 3.41Å; L296-D300 PolarHBondContact O-N 2.89Å
297D98.8Very high98.4Very high65 Ų6533.1 Ų33.135%0.34817%0.168SC..Hα-helixtrans-65.7-43.8176.8-177.547.6000112.2P293 L299 D300 K301 H319P293-D297 VanDerWaalsContact O-CB 3.28Å; P293-D297 WeakPolarHBondContact O-CB 3.42Å; P293-D297 PolarHBondContact O-N 2.75Å; D297-L299 VanDerWaalsContact C-N 3.32Å; D297-L299 PolarHBondContact O-N 3.24Å; D297-D300 PolarHBondContact O-N 3.05Å; D297-K301 WeakPolarHBondContact O-CG 3.12Å; D297-K301 PolarHBondContact O-N 3.36Å; D297-K301 VanDerWaalsContact O-N 3.16Å; D297-K301 IonicContact OD1-NZ 2.84Å; D297-K301 PolarHBondContact OD1-NZ 2.9Å; D297-K301 IonicContact OD2-NZ 2.66Å; D297-K301 PolarHBondContact OD2-NZ 3Å; D297-H319 IonicContact OD2-CE1 3.89Å; D297-H319 PolarHBondContact OD2-CE1 3.4Å; D297-H319 IonicContact OD2-NE2 3.66Å; D297-H319 PolarHBondContact OD2-NE2 2.91Å
298L98.9Very high98.4Very high2 Ų234.4 Ų34.41%0.0118%0.179CC..Hα-helixtrans-58.6-46.3172.1176.560.7000110.9F220 E294 D300 K301 L302 L311 A316 H319 Y321 F322F220-L298 HydrophobicContact CD1-CD2 4.36Å; F220-L298 HydrophobicContact CE1-CB 4.15Å; F220-L298 HydrophobicContact CE1-CD2 3.76Å; F220-L298 HydrophobicContact CE1-CG 4Å; F220-L298 HydrophobicContact CZ-CD2 4.16Å; E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 2.88Å; L298-D300 PolarHBondContact O-N 2.86Å; L298-K301 PolarHBondContact O-N 2.85Å; L298-L302 HydrophobicContact CD1-CD1 4.05Å; L298-L302 HydrophobicContact CD1-CG 4.22Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.46Å; L298-L311 HydrophobicContact CD1-CD1 3.81Å; L298-A316 HydrophobicContact CD1-CB 4.32Å; L298-H319 HydrophobicContact CD1-CB 4.03Å; L298-H319 PolarHBondContact N-CE1 2.83Å; L298-Y321 HydrophobicContact CD2-CD1 3.45Å; L298-Y321 VanDerWaalsContact CD2-CD1 3.45Å; L298-Y321 HydrophobicContact CD2-CE1 4.21Å; L298-Y321 HydrophobicContact CD2-CG 4Å; L298-F322 HydrophobicContact CD1-CE2 4.41Å; L298-F322 HydrophobicContact CD2-CD2 4.44Å; L298-F322 HydrophobicContact CD2-CE2 3.48Å; L298-F322 VanDerWaalsContact CD2-CE2 3.48Å; L298-F322 HydrophobicContact CD2-CZ 3.59Å
299L98.8Very high98.4Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-62.8-42.9-178.8-176.364.5000112.1G217 F220 A221 I224 F225 W279 S295 L296 D297 K301 L302 L303G217-L299 VanDerWaalsContact O-CD1 3.26Å; G217-L299 WeakPolarHBondContact O-CD1 3.43Å; F220-L299 HydrophobicContact CB-CD1 4.47Å; F220-L299 HydrophobicContact CD1-CB 4.13Å; F220-L299 HydrophobicContact CD1-CD1 3.94Å; F220-L299 HydrophobicContact CE1-CB 4.14Å; A221-L299 HydrophobicContact CB-CD1 3.92Å; A221-L299 HydrophobicContact CB-CD2 3.98Å; I224-L299 HydrophobicContact CD1-CD2 4.21Å; F225-L299 HydrophobicContact CD2-CD2 4.43Å; F225-L299 HydrophobicContact CE2-CD2 3.45Å; F225-L299 VanDerWaalsContact CE2-CD2 3.45Å; F225-L299 HydrophobicContact CZ-CD2 3.98Å; W279-L299 HydrophobicContact CD2-CD2 4.04Å; W279-L299 HydrophobicContact CE3-CD2 3.81Å; W279-L299 HydrophobicContact CH2-CD2 4.32Å; W279-L299 HydrophobicContact CH2-CG 4.47Å; W279-L299 HydrophobicContact CZ2-CG 4.38Å; W279-L299 HydrophobicContact CZ3-CD2 3.96Å; S295-L299 WeakPolarHBondContact O-CB 3.46Å; S295-L299 PolarHBondContact O-N 3.17Å; L296-L299 PolarHBondContact O-N 3.48Å; D297-L299 VanDerWaalsContact C-N 3.32Å; D297-L299 PolarHBondContact O-N 3.24Å; L299-K301 VanDerWaalsContact C-N 3.25Å; L299-K301 PolarHBondContact O-N 2.97Å; L299-L302 PolarHBondContact O-N 3Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L299-L303 HydrophobicContact CD1-CD1 3.57Å; L299-L303 HydrophobicContact CD1-CG 3.88Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.47Å; L299-L303 PolarHBondContact O-N 2.86Å
300D98.7Very high98.4Very high32 Ų3228.9 Ų28.917%0.17115%0.153CC..Hα-helixtrans-62.4-33.1178-164.966.3000112.2K276 W279 L296 D297 L298 R304K276-D300 IonicContact NZ-OD1 2.7Å; W279-D300 PolarHBondContact NE1-OD1 3.09Å; L296-D300 WeakPolarHBondContact O-CB 3.41Å; L296-D300 PolarHBondContact O-N 2.89Å; D297-D300 PolarHBondContact O-N 3.05Å; L298-D300 PolarHBondContact O-N 2.86Å; D300-R304 WeakPolarHBondContact O-CD 3.25Å; D300-R304 PolarHBondContact O-NE 3.36Å; D300-R304 IonicContact OD2-CZ 3.83Å; D300-R304 IonicContact OD2-NE 3.86Å; D300-R304 IonicContact OD2-NH2 2.67Å; D300-R304 PolarHBondContact OD2-NH2 3.42Å
301K98.8Very high98.5Very high64 Ų6430.1 Ų30.128%0.27816%0.159SC..Hα-helixtrans-80.9-20.7175.7-63.2-174.617884.20113.9D297 L298 L299 R310 L311D297-K301 WeakPolarHBondContact O-CG 3.12Å; D297-K301 PolarHBondContact O-N 3.36Å; D297-K301 VanDerWaalsContact O-N 3.16Å; D297-K301 IonicContact OD1-NZ 2.84Å; D297-K301 PolarHBondContact OD1-NZ 2.9Å; D297-K301 IonicContact OD2-NZ 2.66Å; D297-K301 PolarHBondContact OD2-NZ 3Å; L298-K301 PolarHBondContact O-N 2.85Å; L299-K301 VanDerWaalsContact C-N 3.25Å; L299-K301 PolarHBondContact O-N 2.97Å; K301-R310 WeakPolarHBondContact O-CA 3.49Å; K301-L311 HydrophobicContact CB-CD1 3.72Å; K301-L311 HydrophobicContact CB-CD2 4.38Å; K301-L311 HydrophobicContact CB-CG 3.74Å; K301-L311 HydrophobicContact CD-CD1 4Å; K301-L311 HydrophobicContact CD-CD2 4.06Å; K301-L311 HydrophobicContact CD-CG 4.22Å; K301-L311 PolarHBondContact O-N 2.95Å
302L98.8Very high98.5Very high1 Ų129.5 Ų29.51%0.00516%0.156CC..Hα-helixtrans-84.7-40.3174.1-71.1171.8000112.3L213 L216 F220 L298 L299 R304 R310 L311 A316L213-L302 HydrophobicContact CB-CD2 4.19Å; L213-L302 HydrophobicContact CD1-CD2 4.17Å; L216-L302 HydrophobicContact CD2-CD1 4.34Å; L216-L302 HydrophobicContact CD2-CD2 4.35Å; F220-L302 HydrophobicContact CD1-CD1 4.44Å; L298-L302 HydrophobicContact CD1-CD1 4.05Å; L298-L302 HydrophobicContact CD1-CG 4.22Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.46Å; L299-L302 PolarHBondContact O-N 3Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L302-R304 PolarHBondContact O-N 3.24Å; L302-R310 WeakPolarHBondContact O-CD 3.03Å; L302-L311 HydrophobicContact CD2-CB 4.41Å; L302-A316 HydrophobicContact CD2-CB 4.41Å
303L98.8Very high98.5Very high0 Ų028.6 Ų28.60%015%0.149CC..SBendtrans-94.163-176.8-65.6-176.3000112.2W214 A221 F231 L247 W279 L299W214-L303 HydrophobicContact CD2-CD2 3.95Å; W214-L303 HydrophobicContact CE3-CD2 3.98Å; W214-L303 HydrophobicContact CH2-CD2 4.32Å; W214-L303 HydrophobicContact CZ2-CD2 4.28Å; W214-L303 HydrophobicContact CZ3-CB 4.34Å; W214-L303 HydrophobicContact CZ3-CD2 4.18Å; A221-L303 HydrophobicContact CB-CD1 4.48Å; F231-L303 HydrophobicContact CE2-CD1 3.96Å; F231-L303 HydrophobicContact CE2-CD2 4.41Å; F231-L303 HydrophobicContact CZ-CD1 4.18Å; L247-L303 VanDerWaalsContact CD1-O 3.31Å; L247-L303 WeakPolarHBondContact CD1-O 3.5Å; W279-L303 HydrophobicContact CH2-CB 4.27Å; W279-L303 HydrophobicContact CH2-CD1 3.58Å; W279-L303 HydrophobicContact CZ2-CB 4.19Å; W279-L303 HydrophobicContact CZ2-CD1 4.21Å; W279-L303 HydrophobicContact CZ3-CD1 4.31Å; L299-L303 HydrophobicContact CD1-CD1 3.57Å; L299-L303 HydrophobicContact CD1-CG 3.88Å; L299-L303 HydrophobicContact CG-CD1 4.02Å; L299-L303 HydrophobicContact CG-CG 4.47Å; L299-L303 PolarHBondContact O-N 2.86Å
304R98.6Very high98.4Very high53 Ų5328.2 Ų28.220%0.214%0.135CC..  trans-103.2141.9173.1-64.3-72.6176.2159.55.5111.5W214 E251 D300 L302 E309 R310W214-R304 WeakPolarHBondContact CZ3-O 3.39Å; E251-R304 IonicContact OE1-NH1 2.7Å; D300-R304 WeakPolarHBondContact O-CD 3.25Å; D300-R304 PolarHBondContact O-NE 3.36Å; D300-R304 IonicContact OD2-CZ 3.83Å; D300-R304 IonicContact OD2-NE 3.86Å; D300-R304 IonicContact OD2-NH2 2.67Å; D300-R304 PolarHBondContact OD2-NH2 3.42Å; L302-R304 PolarHBondContact O-N 3.24Å; R304-E309 HydrophobicContact CB-CB 4.33Å; R304-E309 HydrophobicContact CG-CB 4.38Å; R304-R310 HydrophobicContact CB-CG 3.95Å; R304-R310 PolarHBondContact O-NE 3.18Å; R304-R310 PolarHBondContact O-NH2 3.45Å; R304-R310 VanDerWaalsContact O-NH2 3.16Å
305Y98.7Very high98.4Very high2 Ų228 Ų281%0.00813%0.134CC..SBendtrans-60.3-53.2172.6-77.8-67.8000111.1P198 I243 A244 L247 G248 E251 L252 H307 R310P198-Y305 HydrophobicContact CB-CD1 3.89Å; P198-Y305 HydrophobicContact CB-CE1 4.49Å; P198-Y305 HydrophobicContact CG-CD1 3.75Å; P198-Y305 HydrophobicContact CG-CE1 4.26Å; I243-Y305 HydrophobicContact CG2-CE1 3.75Å; A244-Y305 WeakPolarHBondContact CA-OH 3.28Å; A244-Y305 PolarHBondContact N-OH 3.44Å; L247-Y305 HydrophobicContact CB-CD2 4.25Å; L247-Y305 HydrophobicContact CB-CE2 3.38Å; L247-Y305 HydrophobicContact CD1-CD2 4.4Å; L247-Y305 HydrophobicContact CD1-CE2 4.07Å; L247-Y305 HydrophobicContact CG-CE2 4.38Å; G248-Y305 WeakPolarHBondContact O-CE2 3.44Å; G248-Y305 PolarHBondContact O-OH 3.27Å; G248-Y305 VanDerWaalsContact O-OH 3.13Å; E251-Y305 HydrophobicContact CB-CD2 3.73Å; E251-Y305 HydrophobicContact CB-CE2 4.29Å; L252-Y305 HydrophobicContact CB-CD1 4.12Å; L252-Y305 HydrophobicContact CB-CD2 4.15Å; L252-Y305 HydrophobicContact CB-CE1 3.87Å; L252-Y305 HydrophobicContact CB-CE2 3.85Å; L252-Y305 HydrophobicContact CB-CG 4.25Å; L252-Y305 HydrophobicContact CD1-CD1 3.76Å; L252-Y305 HydrophobicContact CD1-CE1 3.75Å; L252-Y305 HydrophobicContact CD1-CG 4.49Å; L252-Y305 HydrophobicContact CD2-CE1 4.37Å; L252-Y305 HydrophobicContact CG-CD1 4.49Å; L252-Y305 HydrophobicContact CG-CE1 4.2Å; Y305-H307 PolarHBondContact O-N 2.94Å; Y305-R310 PolarHBondContact O-NH2 2.68Å; Y305-R310 VanDerWaalsContact O-NH2 3.12Å
306D98.3Very high98.4Very high8 Ų828 Ų284%0.04313%0.134CC..SBendtrans-68.1113.5176-165.8-28.7000110.3Y255 K258 Y259 A308 E309Y255-D306 HydrophobicContact CD2-CB 4.18Å; K258-D306 WeakPolarHBondContact CD-OD2 3.38Å; K258-D306 WeakPolarHBondContact CE-OD2 3.35Å; K258-D306 IonicContact NZ-OD1 3.58Å; K258-D306 IonicContact NZ-OD2 3.56Å; K258-D306 PolarHBondContact NZ-OD2 3Å; Y259-D306 PolarHBondContact OH-OD1 2.95Å; D306-A308 PolarHBondContact O-N 2.6Å; D306-A308 WeakPolarHBondContact OD1-CB 3.22Å; D306-A308 PolarHBondContact OD1-N 3.41Å; D306-E309 HydrophobicContact CB-CB 4.14Å; D306-E309 HydrophobicContact CB-CG 3.8Å; D306-E309 PolarHBondContact O-N 3.41Å; D306-E309 VanDerWaalsContact O-N 3.1Å
307H97.9Very high98.4Very high2 Ų227.3 Ų27.31%0.00913%0.13CC..G310 helixtrans-65.9-26.2-179.161.9-89.9000112.2S5 Y204 D208 S210 Y255 Y259 Y305 E309 R310S5-H307 WeakPolarHBondContact CB-NE2 3.44Å; S5-H307 PolarHBondContact OG-NE2 2.92Å; Y204-H307 AromaticContact CE1-CE1 3.76Å; D208-H307 IonicContact OD2-CD2 2.72Å; S210-H307 WeakPolarHBondContact CB-O 3.3Å; S210-H307 WeakPolarHBondContact OG-CB 3.49Å; Y255-H307 AromaticContact CE2-CE1 3.93Å; Y255-H307 AromaticContact CE2-ND1 3.45Å; Y255-H307 WeakPolarHBondContact CE2-ND1 3.45Å; Y255-H307 AromaticContact CZ-ND1 3.88Å; Y259-H307 AromaticContact CE1-CE1 3.48Å; Y259-H307 VanDerWaalsContact CE1-CE1 3.48Å; Y259-H307 WeakPolarHBondContact CE1-CE1 3.23Å; Y259-H307 AromaticContact CE1-NE2 3.83Å; Y259-H307 AromaticContact CE2-CE1 3.7Å; Y259-H307 AromaticContact CZ-CE1 3.28Å; Y259-H307 AromaticContact CZ-NE2 3.74Å; Y259-H307 PolarHBondContact OH-CE1 2.88Å; Y305-H307 PolarHBondContact O-N 2.94Å; H307-E309 VanDerWaalsContact C-N 3.3Å; H307-E309 PolarHBondContact O-N 3.34Å; H307-R310 PolarHBondContact O-N 2.87Å
308A97.1Very high98.3Very high27 Ų2729.8 Ų29.822%0.22314%0.14CC..G310 helixtrans-73.4-21.6174.200000112.9R8 D306R8-A308 WeakPolarHBondContact CD-O 3.46Å; R8-A308 PolarHBondContact NH1-O 2.83Å; D306-A308 PolarHBondContact O-N 2.6Å; D306-A308 WeakPolarHBondContact OD1-CB 3.22Å; D306-A308 PolarHBondContact OD1-N 3.41Å
309E97.8Very high98.3Very high111 Ų11130.6 Ų30.652%0.51914%0.144SC..G310 helixtrans-87.7-11.9178.1-64.9-177.8177.800113.5R304 D306 H307R304-E309 HydrophobicContact CB-CB 4.33Å; R304-E309 HydrophobicContact CG-CB 4.38Å; D306-E309 HydrophobicContact CB-CB 4.14Å; D306-E309 HydrophobicContact CB-CG 3.8Å; D306-E309 PolarHBondContact O-N 3.41Å; D306-E309 VanDerWaalsContact O-N 3.1Å; H307-E309 VanDerWaalsContact C-N 3.3Å; H307-E309 PolarHBondContact O-N 3.34Å
310R98.4Very high98.3Very high2 Ų234.1 Ų34.11%0.00817%0.165CC..SBendtrans-68146.1177.1-62.4-179.7-159.9145.99.7110.5R8 E199 S210 K301 L302 R304 Y305 H307R8-R310 PolarHBondContact NH1-O 3.44Å; E199-R310 IonicContact OE1-CZ 3.95Å; E199-R310 IonicContact OE1-NH1 2.89Å; E199-R310 PolarHBondContact OE1-NH1 2.85Å; E199-R310 IonicContact OE1-NH2 2.62Å; E199-R310 IonicContact OE2-CZ 3.76Å; E199-R310 IonicContact OE2-NH1 2.85Å; E199-R310 PolarHBondContact OE2-NH1 2.8Å; E199-R310 IonicContact OE2-NH2 3.75Å; E199-R310 PolarHBondContact OE2-NH2 3.42Å; S210-R310 PolarHBondContact O-NH1 3.26Å; K301-R310 WeakPolarHBondContact O-CA 3.49Å; L302-R310 WeakPolarHBondContact O-CD 3.03Å; R304-R310 HydrophobicContact CB-CG 3.95Å; R304-R310 PolarHBondContact O-NE 3.18Å; R304-R310 PolarHBondContact O-NH2 3.45Å; R304-R310 VanDerWaalsContact O-NH2 3.16Å; Y305-R310 PolarHBondContact O-NH2 2.68Å; Y305-R310 VanDerWaalsContact O-NH2 3.12Å; H307-R310 PolarHBondContact O-N 2.87Å
311L98.7Very high98.3Very high26 Ų2632.6 Ų32.614%0.13616%0.157CC..PPolyproline II helixtrans-58.5142.1168.4-64.6175.1000110L213 L298 K301 L302 E315 A316L213-L311 WeakPolarHBondContact CG-O 3.42Å; L298-L311 HydrophobicContact CD1-CD1 3.81Å; K301-L311 HydrophobicContact CB-CD1 3.72Å; K301-L311 HydrophobicContact CB-CD2 4.38Å; K301-L311 HydrophobicContact CB-CG 3.74Å; K301-L311 HydrophobicContact CD-CD1 4Å; K301-L311 HydrophobicContact CD-CD2 4.06Å; K301-L311 HydrophobicContact CD-CG 4.22Å; K301-L311 PolarHBondContact O-N 2.95Å; L302-L311 HydrophobicContact CD2-CB 4.41Å; L311-E315 HydrophobicContact CB-CB 4.29Å; L311-E315 HydrophobicContact CD2-CB 3.9Å; L311-A316 HydrophobicContact CB-CB 4.07Å; L311-A316 HydrophobicContact CD1-CB 4.14Å
312T98.6Very high98.3Very high16 Ų1629.6 Ų29.610%0.09814%0.144CC..PPolyproline II helixtrans-70.5164.9161.362.30000110.2V9 R314 E315 A316V9-T312 HydrophobicContact CB-CG2 4.43Å; V9-T312 HydrophobicContact CG1-CG2 3.94Å; V9-T312 HydrophobicContact CG2-CG2 3.6Å; T312-R314 PolarHBondContact O-N 3.4Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.05Å; T312-E315 PolarHBondContact N-OE2 2.81Å; T312-E315 PolarHBondContact O-N 3.36Å; T312-E315 WeakPolarHBondContact OG1-CB 3.39Å; T312-E315 VanDerWaalsContact OG1-CD 3.25Å; T312-E315 WeakPolarHBondContact OG1-CG 3.47Å; T312-E315 PolarHBondContact OG1-N 2.86Å; T312-E315 PolarHBondContact OG1-OE2 3.12Å; T312-A316 WeakPolarHBondContact O-CB 3.43Å; T312-A316 PolarHBondContact O-N 3.35Å
313A98.4Very high98.1Very high2 Ų237.5 Ų37.52%0.01717%0.174CC..Hα-helixtrans-57.8-40.8176.400000111.8L139 L142 D143 L213 A316 M317L139-A313 HydrophobicContact CD2-CB 4.14Å; L142-A313 HydrophobicContact CB-CB 4.13Å; D143-A313 HydrophobicContact CB-CB 3.76Å; L213-A313 HydrophobicContact CD1-CB 4.28Å; A313-A316 PolarHBondContact O-N 3.46Å; A313-M317 WeakPolarHBondContact O-CG 3.5Å; A313-M317 PolarHBondContact O-N 3.32Å
314R97.5Very high98Very high93 Ų9339.2 Ų39.235%0.35119%0.188SC..Hα-helixtrans-59.2-53.6174.1-172.755.5158.5-133.5-3.3113.3D143 T312 A316 M317 E318D143-R314 PolarHBondContact OD1-N 3.31Å; D143-R314 IonicContact OD2-NH1 3.75Å; T312-R314 PolarHBondContact O-N 3.4Å; R314-A316 VanDerWaalsContact C-N 3.27Å; R314-A316 PolarHBondContact O-N 3.34Å; R314-M317 PolarHBondContact O-N 2.81Å; R314-M317 VanDerWaalsContact O-N 3.13Å; R314-E318 IonicContact NE-OE1 2.69Å; R314-E318 PolarHBondContact NE-OE1 3.42Å; R314-E318 WeakPolarHBondContact O-CG 3.49Å; R314-E318 PolarHBondContact O-N 2.65Å; R314-E318 VanDerWaalsContact O-N 3.09Å
315E98.3Very high97.9Very high65 Ų6536.7 Ų36.730%0.30418%0.179SC..Hα-helixtrans-64.1-34.6-179.4-66.5163.4155.300111.7R8 L311 T312 E318 H319R8-E315 IonicContact CZ-OE1 2.9Å; R8-E315 IonicContact CZ-OE2 3.89Å; R8-E315 IonicContact NH1-OE2 3.59Å; R8-E315 IonicContact NH2-OE1 3.92Å; R8-E315 PolarHBondContact NH2-OE1 3.14Å; R8-E315 IonicContact NH2-OE2 3Å; R8-E315 PolarHBondContact NH2-OE2 3.28Å; L311-E315 HydrophobicContact CB-CB 4.29Å; L311-E315 HydrophobicContact CD2-CB 3.9Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.05Å; T312-E315 PolarHBondContact N-OE2 2.81Å; T312-E315 PolarHBondContact O-N 3.36Å; T312-E315 WeakPolarHBondContact OG1-CB 3.39Å; T312-E315 VanDerWaalsContact OG1-CD 3.25Å; T312-E315 WeakPolarHBondContact OG1-CG 3.47Å; T312-E315 PolarHBondContact OG1-N 2.86Å; T312-E315 PolarHBondContact OG1-OE2 3.12Å; E315-E318 PolarHBondContact O-N 3.03Å; E315-H319 PolarHBondContact O-N 3.35Å
316A98.7Very high97.7Very high0 Ų037.8 Ų37.80%019%0.185CC..Hα-helixtrans-65-40.617400000111.8L139 L298 L302 L311 T312 A313 R314 E318 H319 F322L139-A316 HydrophobicContact CD1-CB 3.81Å; L139-A316 HydrophobicContact CD2-CB 3.6Å; L139-A316 HydrophobicContact CG-CB 4.38Å; L298-A316 HydrophobicContact CD1-CB 4.32Å; L302-A316 HydrophobicContact CD2-CB 4.41Å; L311-A316 HydrophobicContact CB-CB 4.07Å; L311-A316 HydrophobicContact CD1-CB 4.14Å; T312-A316 WeakPolarHBondContact O-CB 3.43Å; T312-A316 PolarHBondContact O-N 3.35Å; A313-A316 PolarHBondContact O-N 3.46Å; R314-A316 VanDerWaalsContact C-N 3.27Å; R314-A316 PolarHBondContact O-N 3.34Å; A316-E318 VanDerWaalsContact C-N 3.26Å; A316-E318 PolarHBondContact O-N 3.34Å; A316-H319 WeakPolarHBondContact O-CB 3.25Å; A316-H319 PolarHBondContact O-N 3.39Å; A316-H319 VanDerWaalsContact O-N 3.16Å; A316-F322 WeakPolarHBondContact O-CD2 3.18Å; A316-F322 WeakPolarHBondContact O-CE2 3.47Å
317M98Very high97.5Very high2 Ų242.6 Ų42.61%0.0121%0.207CC..Hα-helixtrans-65.7-28.5173.7-71.1-173.8-69.400113.3F136 L139 R140 D143 A313 R314 I333F136-M317 HydrophobicContact CD2-CB 4.22Å; F136-M317 HydrophobicContact CD2-CG 4.05Å; F136-M317 HydrophobicContact CE2-CB 3.73Å; F136-M317 HydrophobicContact CE2-CG 3.9Å; F136-M317 HydrophobicContact CE2-SD 4.37Å; F136-M317 HydrophobicContact CZ-SD 4.47Å; L139-M317 HydrophobicContact CB-CG 3.52Å; L139-M317 HydrophobicContact CB-SD 4.1Å; L139-M317 HydrophobicContact CD1-CG 4.04Å; L139-M317 HydrophobicContact CG-CG 4.33Å; R140-M317 HydrophobicContact CB-SD 4.25Å; R140-M317 HydrophobicContact CG-SD 3.41Å; R140-M317 WeakPolarHBondContact CG-SD 3.32Å; D143-M317 HydrophobicContact CB-CE 3.52Å; D143-M317 WeakPolarHBondContact OD2-CE 3.47Å; A313-M317 WeakPolarHBondContact O-CG 3.5Å; A313-M317 PolarHBondContact O-N 3.32Å; R314-M317 PolarHBondContact O-N 2.81Å; R314-M317 VanDerWaalsContact O-N 3.13Å; M317-I333 HydrophobicContact CB-CD1 3.81Å; M317-I333 HydrophobicContact CB-CG1 4.49Å; M317-I333 HydrophobicContact CE-CG2 4.2Å; M317-I333 HydrophobicContact SD-CG2 4.01Å
318E97.5Very high97.1Very high117 Ų11747.3 Ų47.355%0.54723%0.233SC..THydrogen-bonded Turntrans-79.5-7.4176.2-68.1170-178.800112.7R314 E315 A316 I333R314-E318 IonicContact NE-OE1 2.69Å; R314-E318 PolarHBondContact NE-OE1 3.42Å; R314-E318 WeakPolarHBondContact O-CG 3.49Å; R314-E318 PolarHBondContact O-N 2.65Å; R314-E318 VanDerWaalsContact O-N 3.09Å; E315-E318 PolarHBondContact O-N 3.03Å; A316-E318 VanDerWaalsContact C-N 3.26Å; A316-E318 PolarHBondContact O-N 3.34Å; E318-I333 HydrophobicContact CB-CD1 4.37Å; E318-I333 HydrophobicContact CG-CD1 3.36Å
319H98.5Very high96.6Very high19 Ų1949.1 Ų49.19%0.08824%0.236CC..SBendtrans-64.3143.9179.7-163.4-95.1000112.4E294 D297 L298 E315 A316 Y321 F322E294-H319 PolarHBondContact O-CE1 2.82Å; D297-H319 IonicContact OD2-CE1 3.89Å; D297-H319 PolarHBondContact OD2-CE1 3.4Å; D297-H319 IonicContact OD2-NE2 3.66Å; D297-H319 PolarHBondContact OD2-NE2 2.91Å; L298-H319 HydrophobicContact CD1-CB 4.03Å; L298-H319 PolarHBondContact N-CE1 2.83Å; E315-H319 PolarHBondContact O-N 3.35Å; A316-H319 WeakPolarHBondContact O-CB 3.25Å; A316-H319 PolarHBondContact O-N 3.39Å; A316-H319 VanDerWaalsContact O-N 3.16Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.14Å; H319-Y321 PolarHBondContact ND1-N 3.17Å; H319-Y321 PolarHBondContact O-N 2.96Å; H319-F322 HydrophobicContact CB-CD2 4.38Å; H319-F322 PolarHBondContact O-N 2.84Å
320V97.7Very high96Very high75 Ų7547 Ų4746%0.45525%0.245SC..G310 helixtrans-56-26.8-178.963.30000113.6E294 F322 R323E294-V320 HydrophobicContact CB-CG1 3.97Å; E294-V320 HydrophobicContact CG-CG1 3.66Å; E294-V320 HydrophobicContact CG-CG2 4.3Å; V320-F322 PolarHBondContact O-N 2.93Å; V320-R323 VanDerWaalsContact O-CB 3.27Å; V320-R323 WeakPolarHBondContact O-CB 3.31Å; V320-R323 PolarHBondContact O-N 2.86Å; V320-R323 VanDerWaalsContact O-N 3.08Å
321Y98.5Very high95.1Very high0 Ų049.2 Ų49.20%027%0.268CS..G310 helixtrans-56.2-31.2174.2-175.2-111.1000112.8D128 R132 F220 E294 L298 H319D128-Y321 PolarHBondContact OD1-OH 3.05Å; R132-Y321 HydrophobicContact CB-CE1 4.29Å; R132-Y321 HydrophobicContact CG-CD1 4.15Å; R132-Y321 HydrophobicContact CG-CD2 4.46Å; R132-Y321 HydrophobicContact CG-CE1 3.53Å; R132-Y321 HydrophobicContact CG-CE2 3.83Å; R132-Y321 WeakPolarHBondContact CG-OH 3.41Å; R132-Y321 PolarHBondContact NH1-O 2.97Å; F220-Y321 HydrophobicContact CE1-CE1 4.49Å; F220-Y321 AromaticContact CE2-CE1 3.66Å; F220-Y321 HydrophobicContact CE2-CE1 3.66Å; F220-Y321 AromaticContact CE2-CZ 3.77Å; F220-Y321 HydrophobicContact CZ-CD1 4.07Å; F220-Y321 AromaticContact CZ-CE1 3.46Å; F220-Y321 HydrophobicContact CZ-CE1 3.46Å; F220-Y321 VanDerWaalsContact CZ-CE1 3.46Å; F220-Y321 HydrophobicContact CZ-CE2 4.27Å; F220-Y321 AromaticContact CZ-CZ 3.59Å; E294-Y321 HydrophobicContact CB-CD2 4.16Å; L298-Y321 HydrophobicContact CD2-CD1 3.45Å; L298-Y321 VanDerWaalsContact CD2-CD1 3.45Å; L298-Y321 HydrophobicContact CD2-CE1 4.21Å; L298-Y321 HydrophobicContact CD2-CG 4Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.14Å; H319-Y321 PolarHBondContact ND1-N 3.17Å; H319-Y321 PolarHBondContact O-N 2.96Å
322F98.4Very high94.3Very high1 Ų157.5 Ų57.50%0.00430%0.298CS..G310 helixtrans-96.97179.9-59.3-66.8000114.1R132 M135 F136 L139 L298 A316 H319 V320 A324 I325 V326R132-F322 HydrophobicContact CB-CD1 4.46Å; R132-F322 WeakPolarHBondContact O-CD1 3.49Å; R132-F322 WeakPolarHBondContact O-CE1 3.4Å; M135-F322 HydrophobicContact CB-CE1 3.85Å; M135-F322 HydrophobicContact CB-CZ 3.96Å; F136-F322 HydrophobicContact CB-CD1 3.74Å; F136-F322 HydrophobicContact CB-CE1 3.95Å; F136-F322 HydrophobicContact CB-CG 4.4Å; F136-F322 HydrophobicContact CD2-CB 3.7Å; F136-F322 AromaticContact CD2-CD1 3.91Å; F136-F322 HydrophobicContact CD2-CD1 3.91Å; F136-F322 HydrophobicContact CD2-CD2 4.26Å; F136-F322 AromaticContact CD2-CG 3.69Å; F136-F322 HydrophobicContact CD2-CG 3.69Å; F136-F322 HydrophobicContact CE2-CB 4.13Å; F136-F322 HydrophobicContact CG-CD1 4.29Å; L139-F322 HydrophobicContact CD1-CD2 4.34Å; L139-F322 HydrophobicContact CD1-CE2 3.43Å; L139-F322 VanDerWaalsContact CD1-CE2 3.43Å; L139-F322 HydrophobicContact CD1-CZ 3.58Å; L298-F322 HydrophobicContact CD1-CE2 4.41Å; L298-F322 HydrophobicContact CD2-CD2 4.44Å; L298-F322 HydrophobicContact CD2-CE2 3.48Å; L298-F322 VanDerWaalsContact CD2-CE2 3.48Å; L298-F322 HydrophobicContact CD2-CZ 3.59Å; A316-F322 WeakPolarHBondContact O-CD2 3.18Å; A316-F322 WeakPolarHBondContact O-CE2 3.47Å; H319-F322 HydrophobicContact CB-CD2 4.38Å; H319-F322 PolarHBondContact O-N 2.84Å; V320-F322 PolarHBondContact O-N 2.93Å; F322-A324 VanDerWaalsContact C-N 3.28Å; F322-A324 PolarHBondContact O-N 3.14Å; F322-I325 PolarHBondContact O-N 2.78Å; F322-V326 WeakPolarHBondContact O-CG2 3.39Å; F322-V326 PolarHBondContact O-N 3.5Å
323R96.2Very high93.6Very high166 Ų16658.2 Ų58.263%0.62630%0.3SS*.Hα-helixtrans-51.9-44.1-176.4-177.5178179170.22.9113.1V320 V326 Q327V320-R323 VanDerWaalsContact O-CB 3.27Å; V320-R323 WeakPolarHBondContact O-CB 3.31Å; V320-R323 PolarHBondContact O-N 2.86Å; V320-R323 VanDerWaalsContact O-N 3.08Å; R323-V326 PolarHBondContact O-N 3.12Å; R323-Q327 WeakPolarHBondContact O-CB 3.38Å; R323-Q327 VanDerWaalsContact O-CG 3.27Å; R323-Q327 WeakPolarHBondContact O-CG 3.44Å; R323-Q327 PolarHBondContact O-N 3.44Å
324A95.6Very high92.7Very high37 Ų3759.7 Ų59.731%0.30631%0.31SS..Hα-helixtrans-62.1-45.5177.900000111.8F322 V326 Q327 D328F322-A324 VanDerWaalsContact C-N 3.28Å; F322-A324 PolarHBondContact O-N 3.14Å; A324-V326 PolarHBondContact O-N 3.06Å; A324-Q327 WeakPolarHBondContact O-CB 3.23Å; A324-Q327 PolarHBondContact O-N 2.77Å; A324-D328 VanDerWaalsContact O-CG 3.31Å; A324-D328 PolarHBondContact O-N 3.18Å
325I96.2Very high91.7Very high0 Ų061.5 Ų61.50%033%0.331CS..Hα-helixtrans-63.4-42.3178.3-52.8-55.4000111Y129 R132 Y133 F136 F322 Q327 D328 H329Y129-I325 HydrophobicContact CD2-CD1 4.01Å; Y129-I325 HydrophobicContact CE1-CD1 4.32Å; Y129-I325 HydrophobicContact CE2-CD1 3.52Å; R132-I325 HydrophobicContact CB-CD1 3.99Å; R132-I325 HydrophobicContact CB-CG1 3.8Å; Y133-I325 HydrophobicContact CD2-CD1 4.33Å; Y133-I325 HydrophobicContact CD2-CG2 4.31Å; F136-I325 HydrophobicContact CB-CG2 4.06Å; F136-I325 HydrophobicContact CD1-CG2 3.59Å; F136-I325 HydrophobicContact CD2-CG2 4.43Å; F136-I325 HydrophobicContact CE1-CG2 4.06Å; F136-I325 HydrophobicContact CG-CB 4.46Å; F136-I325 HydrophobicContact CG-CG2 3.78Å; F322-I325 PolarHBondContact O-N 2.78Å; I325-Q327 VanDerWaalsContact C-N 3.33Å; I325-Q327 PolarHBondContact O-N 2.86Å; I325-D328 PolarHBondContact O-N 2.86Å; I325-H329 PolarHBondContact O-N 3.29Å; I325-H329 VanDerWaalsContact O-N 3.12Å; I325-H329 PolarHBondContact O-ND1 2.79Å
326V94.8Very high90.1Very high25 Ų2559.5 Ų59.515%0.15233%0.328CS..Hα-helixtrans-65-37.7177.4174.50000111.3F136 F322 R323 A324 H329 G331 I333F136-V326 HydrophobicContact CE2-CG2 3.72Å; F136-V326 HydrophobicContact CZ-CG2 3.89Å; F322-V326 WeakPolarHBondContact O-CG2 3.39Å; F322-V326 PolarHBondContact O-N 3.5Å; R323-V326 PolarHBondContact O-N 3.12Å; A324-V326 PolarHBondContact O-N 3.06Å; V326-H329 CarbonylContact O-C 3.56Å; V326-H329 PolarHBondContact O-N 3.2Å; V326-G331 VanDerWaalsContact O-CA 3.27Å; V326-G331 WeakPolarHBondContact O-CA 3.31Å; V326-G331 PolarHBondContact O-N 2.91Å; V326-I333 HydrophobicContact CG2-CG1 4.11Å
327Q93.8Very high88.8Confident108 Ų10862.4 Ų62.451%0.50535%0.352SS..Hα-helixtrans-63-43.8174.4-75.6172-15.700111.7R323 A324 I325 H329 G330 G331R323-Q327 WeakPolarHBondContact O-CB 3.38Å; R323-Q327 VanDerWaalsContact O-CG 3.27Å; R323-Q327 WeakPolarHBondContact O-CG 3.44Å; R323-Q327 PolarHBondContact O-N 3.44Å; A324-Q327 WeakPolarHBondContact O-CB 3.23Å; A324-Q327 PolarHBondContact O-N 2.77Å; I325-Q327 VanDerWaalsContact C-N 3.33Å; I325-Q327 PolarHBondContact O-N 2.86Å; Q327-H329 PolarHBondContact O-N 2.79Å; Q327-G330 PolarHBondContact O-N 3.29Å; Q327-G331 PolarHBondContact O-N 3.39Å
328D90.9Very high87.1Confident102 Ų10266.3 Ų66.355%0.54537%0.37SS..Hα-helixtrans-64.2-24.2176.3-63.9-23.1000112.6Y129 A324 I325 G330Y129-D328 WeakPolarHBondContact CE2-OD2 3.46Å; Y129-D328 PolarHBondContact OH-OD2 3.25Å; A324-D328 VanDerWaalsContact O-CG 3.31Å; A324-D328 PolarHBondContact O-N 3.18Å; I325-D328 PolarHBondContact O-N 2.86Å; D328-G330 VanDerWaalsContact C-N 3.26Å; D328-G330 PolarHBondContact O-N 3.44Å
329H85.6Confident85Confident64 Ų6466.4 Ų66.430%0.29637%0.371SS..THydrogen-bonded Turntrans-87.621.7171.4-71.688.5000113.7I325 V326 Q327 P334I325-H329 PolarHBondContact O-N 3.29Å; I325-H329 VanDerWaalsContact O-N 3.12Å; I325-H329 PolarHBondContact O-ND1 2.79Å; V326-H329 CarbonylContact O-C 3.56Å; V326-H329 PolarHBondContact O-N 3.2Å; Q327-H329 PolarHBondContact O-N 2.79Å; H329-P334 HydrophobicContact CB-CG 3.86Å; H329-P334 WeakPolarHBondContact CD2-CG 3.17Å
330G84.9Confident82.3Confident67 Ų6772.3 Ų72.369%0.69140%0.403SS*.THydrogen-bonded Turntrans8020.917800000114.2Q327 D328Q327-G330 PolarHBondContact O-N 3.29Å; D328-G330 VanDerWaalsContact C-N 3.26Å; D328-G330 PolarHBondContact O-N 3.44Å
331G79.7Confident79.6Confident49 Ų4974.4 Ų74.451%0.50541%0.411SS..THydrogen-bonded Turntrans79.213.417600000114.8V326 Q327V326-G331 VanDerWaalsContact O-CA 3.27Å; V326-G331 WeakPolarHBondContact O-CA 3.31Å; V326-G331 PolarHBondContact O-N 2.91Å; Q327-G331 PolarHBondContact O-N 3.39Å
332R83.3Confident77Confident200 Ų20080.7 Ų80.776%0.75545%0.445SS*.SBendtrans-134.9146.5176.4-62.6-177.4-177.4179.10.8110P334R332-P334 VanDerWaalsContact O-CD 3.28Å; R332-P334 WeakPolarHBondContact O-CD 3.25Å
333I83.6Confident74Confident30 Ų3083.7 Ų83.715%0.15448%0.476CS..PPolyproline II helixtrans-67.3119.4169.4-62.7170.9000107.2F136 M317 E318 V326 V335F136-I333 HydrophobicContact CZ-CG1 4.28Å; F136-I333 HydrophobicContact CZ-CG2 4.21Å; M317-I333 HydrophobicContact CB-CD1 3.81Å; M317-I333 HydrophobicContact CB-CG1 4.49Å; M317-I333 HydrophobicContact CE-CG2 4.2Å; M317-I333 HydrophobicContact SD-CG2 4.01Å; E318-I333 HydrophobicContact CB-CD1 4.37Å; E318-I333 HydrophobicContact CG-CD1 3.36Å; V326-I333 HydrophobicContact CG2-CG1 4.11Å; I333-V335 PolarHBondContact O-N 2.83Å
334P79.4Confident70.9Confident34 Ų3482.7 Ų82.722%0.22148%0.483CS..PPolyproline II helixtrans-61131.2179.4-20.631.4000110.4H329 R332 G336H329-P334 HydrophobicContact CB-CG 3.86Å; H329-P334 WeakPolarHBondContact CD2-CG 3.17Å; R332-P334 VanDerWaalsContact O-CD 3.28Å; R332-P334 WeakPolarHBondContact O-CD 3.25Å; P334-G336 PolarHBondContact O-N 3.33Å
335V75.4Confident67.7Low131 Ų13190.7 Ų90.779%0.79451%0.511SS*.PPolyproline II helixtrans-63.6129171.7-173.70000107.9I333 A337I333-V335 PolarHBondContact O-N 2.83Å; V335-A337 PolarHBondContact O-N 3.05Å
336G66.5Low64.5Low23 Ų2399.1 Ų99.124%0.23755%0.547CS..PPolyproline II helixtrans-61.8134.2175.100000110.5T90 P334 Q338T90-G336 VanDerWaalsContact OG1-CA 3.25Å; T90-G336 WeakPolarHBondContact OG1-CA 3.41Å; P334-G336 PolarHBondContact O-N 3.33Å; G336-Q338 PolarHBondContact O-N 3.22Å
337A70.3Confident61.8Low60 Ų60103.9 Ų103.950%0.49658%0.579SS.*PPolyproline II helixtrans-61.5127.2166.700000109.4T90 V335T90-A337 PolarHBondContact N-O 3.16Å; T90-A337 PolarHBondContact OG1-N 3.33Å; V335-A337 PolarHBondContact O-N 3.05Å
338Q61.8Low59Low84 Ų84102.3 Ų102.339%0.39359%0.591SS.*  trans-125.3125166.7-64.2179.33.900106.3S147 G336 N340S147-Q338 PolarHBondContact OG-NE2 3Å; G336-Q338 PolarHBondContact O-N 3.22Å; Q338-N340 PolarHBondContact O-N 2.62Å
339Q53.9Low56.3Low120 Ų120102.9 Ų102.956%0.56160%0.604SS**  trans-69.8121166.6-77.4-172.54.300107.8N341Q339-N341 VanDerWaalsContact C-N 3.27Å; Q339-N341 PolarHBondContact O-N 3.34Å
340N42.5Very low54Low143 Ų143106.4 Ų106.477%0.76563%0.63SS**  trans-64.593.3167-82-12.5000107.9Q338 D342Q338-N340 PolarHBondContact O-N 2.62Å; N340-D342 PolarHBondContact O-N 3.01Å
341N41.4Very low51.6Low119 Ų119109.4 Ų109.464%0.63664%0.635SS**  trans-8021.2172.3-112.5-7.7000112.3Q339 G343Q339-N341 VanDerWaalsContact C-N 3.27Å; Q339-N341 PolarHBondContact O-N 3.34Å; N341-G343 PolarHBondContact O-N 2.83Å
342D42.3Very low49.8Very low132 Ų132112.9 Ų112.971%0.70665%0.649SS**  trans-6887.3167.9-77.9-12.2000108.1N340 N344N340-D342 PolarHBondContact O-N 3.01Å; D342-N344 PolarHBondContact O-N 3.37Å; D342-N344 VanDerWaalsContact O-N 3.12Å
343G36.1Very low47.8Very low63 Ų63108.6 Ų108.665%0.64965%0.649SS**  trans-52.1116.7179.600000111.2N341 K345N341-G343 PolarHBondContact O-N 2.83Å; G343-K345 PolarHBondContact O-N 3.08Å; G343-K345 VanDerWaalsContact O-N 3.08Å
344N30.1Very low45.8Very low145 Ų145113.5 Ų113.578%0.77568%0.681SS**  trans37.667.5132.2-145.113.6000114.9D342 K346D342-N344 PolarHBondContact O-N 3.37Å; D342-N344 VanDerWaalsContact O-N 3.12Å; N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 2.94Å
345K29.7Very low43.8Very low205 Ų205119.3 Ų119.389%0.89171%0.71SS**  trans-65.895.1159.7-79.9-173.9178.3178.10107.6G343G343-K345 PolarHBondContact O-N 3.08Å; G343-K345 VanDerWaalsContact O-N 3.08Å
346K29.4Very low42.7Very low177 Ų177118.6 Ų118.677%0.7771%0.708SS**PPolyproline II helixtrans-56.8130.6166.1-86-175.3174.3-178.40108.7N344 G348N344-K346 VanDerWaalsContact C-N 3.3Å; N344-K346 PolarHBondContact O-N 2.94Å; K346-G348 PolarHBondContact O-N 3.45Å
347P37.1Very low42.1Very low126 Ų126127.3 Ų127.382%0.81876%0.757SS**PPolyproline II helixtrans-65.6128.4175.128.9-34.9000109.2S349P347-S349 PolarHBondContact O-N 3.36Å
348G35.3Very low40.7Very low74 Ų74130.7 Ų130.776%0.76377%0.77SS**PPolyproline II helixtrans-57.1131.2-177.400000112.1K346 T350K346-G348 PolarHBondContact O-N 3.45Å; G348-T350 PolarHBondContact O-N 3.42Å
349S34.8Very low39.5Very low115 Ų115133.2 Ų133.280%0.80479%0.79SS**PPolyproline II helixtrans-60.9121.6171.950.30000111P347 T351P347-S349 PolarHBondContact O-N 3.36Å; S349-T351 PolarHBondContact O-N 3.42Å
350T36.5Very low38.7Very low137 Ų137133.9 Ų133.984%0.8480%0.803SS**PPolyproline II helixtrans-63.5121168.242.80000110.6G348G348-T350 PolarHBondContact O-N 3.42Å
351T35.4Very low38.5Very low130 Ų130133.4 Ų133.480%0.79881%0.805SS**PPolyproline II helixtrans-67.7137172.539.60000111.4S349S349-T351 PolarHBondContact O-N 3.42Å
352P41Very low38.3Very low123 Ų123134.3 Ų134.380%0.79982%0.816SS**PPolyproline II helixtrans-77132.2-178.4-5.122.1000111.4T354P352-T354 PolarHBondContact O-N 3.45Å
353S41.2Very low38.1Very low110 Ų110134.4 Ų134.477%0.76982%0.823SS**PPolyproline II helixtrans-66.4123171.5570000110.9
354T41.4Very low38.2Very low133 Ų133139.5 Ų139.582%0.81684%0.835SS**PPolyproline II helixtrans-73.1122.7170.246.10000110.3P352P352-T354 PolarHBondContact O-N 3.45Å
355N38Very low38.9Very low155 Ų155139.1 Ų139.183%0.82984%0.84SS**PPolyproline II helixtrans-70129.6171.3-80.6-20.3000110.4
356P52.2Low39.6Very low117 Ų117133.6 Ų133.676%0.7684%0.836SS**PPolyproline II helixtrans-79.4127.4168.631.8-30.5000110
357T53Low40.5Very low206 Ų206129.6 Ų129.6100%1.26484%0.842SS**  trans-50.9015141.60000110.9

Retrieved 357 of 357 residues in 77.1 ms (Link to these results)

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