A0A3Q0KIM7_SCHMA Loading...

CID domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KIM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 973 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
1M51.5Low83.5Confident243 Ų24368.7 Ų68.7100%1.19742%0.421SS*.  0147.60-61.2178.2-17600107.5
2A66.7Low84.3Confident61 Ų6170.7 Ų70.750%0.50442%0.419SS..  trans-64149.3168.900000110D6 L7A2-D6 HydrophobicContact CB-CB 4.4Å; A2-L7 HydrophobicContact CB-CD2 4.05Å; A2-L7 HydrophobicContact CB-CG 4.13Å
3S82.1Confident85Confident45 Ų4575.5 Ų75.532%0.31543%0.432SS..  trans-73.1155.917577.10000110.6S5 D6 L7S3-S5 PolarHBondContact O-N 3.24Å; S3-S5 PolarHBondContact OG-OG 3.15Å; S3-D6 WeakPolarHBondContact CA-OD2 3.49Å; S3-D6 WeakPolarHBondContact CB-OD2 3.46Å; S3-D6 PolarHBondContact N-OD2 2.81Å; S3-D6 PolarHBondContact O-N 2.99Å; S3-D6 PolarHBondContact OG-N 3.34Å; S3-D6 PolarHBondContact OG-OD1 2.94Å; S3-D6 PolarHBondContact OG-OD2 3.36Å; S3-L7 WeakPolarHBondContact O-CG 3.16Å; S3-L7 PolarHBondContact O-N 3.25Å; S3-L7 VanDerWaalsContact O-N 3.14Å
4A84.4Confident85.5Confident52 Ų5275.2 Ų75.243%0.4343%0.428SS..Hα-helixtrans-57.3-33.3175.100000111.9L8 V42A4-L8 WeakPolarHBondContact O-CB 3.28Å; A4-L8 WeakPolarHBondContact O-CD1 3.48Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 3.09Å; A4-V42 HydrophobicContact CB-CG2 4.06Å
5S87.8Confident86Confident80 Ų8070.4 Ų70.456%0.55940%0.401SS*.Hα-helixtrans-63.5-42.1172.521.50000113.5S3 L8 S9S3-S5 PolarHBondContact O-N 3.24Å; S3-S5 PolarHBondContact OG-OG 3.15Å; S5-L8 PolarHBondContact O-N 2.68Å; S5-S9 WeakPolarHBondContact O-CB 3.41Å; S5-S9 PolarHBondContact O-N 2.9Å; S5-S9 PolarHBondContact O-OG 3.33Å
6D88.9Confident86.3Confident81 Ų8172.7 Ų72.743%0.43341%0.407SS..Hα-helixtrans-66.4-43.1179.5-51.9-40.1000110.5A2 S3 S9 T10A2-D6 HydrophobicContact CB-CB 4.4Å; S3-D6 WeakPolarHBondContact CA-OD2 3.49Å; S3-D6 WeakPolarHBondContact CB-OD2 3.46Å; S3-D6 PolarHBondContact N-OD2 2.81Å; S3-D6 PolarHBondContact O-N 2.99Å; S3-D6 PolarHBondContact OG-N 3.34Å; S3-D6 PolarHBondContact OG-OD1 2.94Å; S3-D6 PolarHBondContact OG-OD2 3.36Å; D6-S9 PolarHBondContact O-N 2.8Å; D6-S9 PolarHBondContact O-OG 3.19Å; D6-T10 WeakPolarHBondContact O-CB 3.22Å; D6-T10 PolarHBondContact O-N 3.03Å; D6-T10 PolarHBondContact O-OG1 3.27Å
7L88.9Confident86.5Confident32 Ų3273.5 Ų73.517%0.16841%0.41CS..Hα-helixtrans-60.7-47.5176.2-65.7174.5000111.4A2 S3 T10 F11 F32A2-L7 HydrophobicContact CB-CD2 4.05Å; A2-L7 HydrophobicContact CB-CG 4.13Å; S3-L7 WeakPolarHBondContact O-CG 3.16Å; S3-L7 PolarHBondContact O-N 3.25Å; S3-L7 VanDerWaalsContact O-N 3.14Å; L7-T10 PolarHBondContact O-N 2.86Å; L7-F11 PolarHBondContact O-N 2.97Å; L7-F32 HydrophobicContact CB-CZ 3.93Å; L7-F32 HydrophobicContact CD2-CE2 4.45Å; L7-F32 HydrophobicContact CD2-CZ 4.04Å; L7-F32 VanDerWaalsContact O-CZ 3.24Å; L7-F32 WeakPolarHBondContact O-CZ 3.38Å
8L90.7Very high86.7Confident31 Ų3169.8 Ų69.816%0.16239%0.389CS..Hα-helixtrans-68.3-34.3178.4-69.5168.5000112.7A4 S5 K12 V42 S45 I46 L49A4-L8 WeakPolarHBondContact O-CB 3.28Å; A4-L8 WeakPolarHBondContact O-CD1 3.48Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 3.09Å; S5-L8 PolarHBondContact O-N 2.68Å; L8-K12 WeakPolarHBondContact O-CB 3.47Å; L8-K12 PolarHBondContact O-N 2.89Å; L8-V42 HydrophobicContact CD2-CG1 4.2Å; L8-S45 VanDerWaalsContact CD1-CB 3.49Å; L8-I46 HydrophobicContact CD2-CG1 4.03Å; L8-L49 HydrophobicContact CB-CD1 4.25Å; L8-L49 HydrophobicContact CD2-CD1 3.9Å
9S91.5Very high86.7Confident68 Ų6873.7 Ų73.748%0.47640%0.402SS..Hα-helixtrans-68.1-37.4174.276.10000112.2S5 D6 K13S5-S9 WeakPolarHBondContact O-CB 3.41Å; S5-S9 PolarHBondContact O-N 2.9Å; S5-S9 PolarHBondContact O-OG 3.33Å; D6-S9 PolarHBondContact O-N 2.8Å; D6-S9 PolarHBondContact O-OG 3.19Å; S9-K13 WeakPolarHBondContact O-CB 3.45Å; S9-K13 PolarHBondContact O-N 3.18Å
10T92.1Very high86.8Confident63 Ų6375.2 Ų75.239%0.38741%0.409SS..Hα-helixtrans-63.6-54.2174.1-54.70000110.6D6 L7 K12 K13 D14 F32D6-T10 WeakPolarHBondContact O-CB 3.22Å; D6-T10 PolarHBondContact O-N 3.03Å; D6-T10 PolarHBondContact O-OG1 3.27Å; L7-T10 PolarHBondContact O-N 2.86Å; T10-K12 VanDerWaalsContact C-N 3.3Å; T10-K12 PolarHBondContact O-N 3.09Å; T10-K13 WeakPolarHBondContact O-CB 3.13Å; T10-K13 PolarHBondContact O-N 2.74Å; T10-K13 VanDerWaalsContact O-N 3.08Å; T10-D14 PolarHBondContact O-N 3.36Å; T10-F32 HydrophobicContact CG2-CE2 4.41Å
11F93.5Very high87Confident0 Ų076.5 Ų76.50%042%0.416CS..Hα-helixtrans-57.8-41.5178.1-178-95.7000112.4L7 D14 L15 L29 F32 I46 L49 T50 I72L7-F11 PolarHBondContact O-N 2.97Å; F11-D14 PolarHBondContact O-N 3.43Å; F11-L15 HydrophobicContact CE1-CD2 4.38Å; F11-L15 VanDerWaalsContact O-CB 3.32Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 3.25Å; F11-L29 HydrophobicContact CD2-CD2 3.73Å; F11-L29 HydrophobicContact CE2-CB 4.07Å; F11-L29 HydrophobicContact CE2-CD2 3.59Å; F11-L29 HydrophobicContact CE2-CG 4.45Å; F11-L29 HydrophobicContact CG-CD2 4.44Å; F11-L29 HydrophobicContact CZ-CD2 4.18Å; F11-F32 HydrophobicContact CB-CD1 4Å; F11-F32 HydrophobicContact CB-CE1 3.73Å; F11-F32 HydrophobicContact CB-CZ 4.15Å; F11-F32 HydrophobicContact CD2-CB 4.22Å; F11-F32 AromaticContact CD2-CD1 3.5Å; F11-F32 HydrophobicContact CD2-CD1 3.5Å; F11-F32 VanDerWaalsContact CD2-CD1 3.5Å; F11-F32 HydrophobicContact CD2-CE1 4.11Å; F11-F32 AromaticContact CD2-CG 3.97Å; F11-F32 HydrophobicContact CD2-CG 3.97Å; F11-F32 HydrophobicContact CE2-CD1 4.38Å; F11-F32 HydrophobicContact CG-CD1 4.1Å; F11-F32 HydrophobicContact CG-CE1 4.26Å; F11-I46 HydrophobicContact CD1-CG1 4.16Å; F11-I46 HydrophobicContact CE1-CB 4.38Å; F11-I46 HydrophobicContact CE1-CG1 4.25Å; F11-I46 HydrophobicContact CE1-CG2 3.9Å; F11-I46 HydrophobicContact CE2-CG2 4.36Å; F11-I46 HydrophobicContact CG-CG1 4.37Å; F11-I46 HydrophobicContact CZ-CG2 3.74Å; F11-L49 HydrophobicContact CD1-CD1 4.28Å; F11-T50 HydrophobicContact CE1-CG2 3.86Å; F11-T50 HydrophobicContact CZ-CG2 3.91Å; F11-I72 HydrophobicContact CZ-CD1 4.45Å
12K93.7Very high88.8Confident92 Ų9266.8 Ų66.840%0.437%0.369SS..Hα-helixtrans-60.8-46.4175-174.8-164.9165.6-1540111.5L8 T10 L15 E16 L49L8-K12 WeakPolarHBondContact O-CB 3.47Å; L8-K12 PolarHBondContact O-N 2.89Å; T10-K12 VanDerWaalsContact C-N 3.3Å; T10-K12 PolarHBondContact O-N 3.09Å; K12-L15 PolarHBondContact O-N 3.45Å; K12-E16 VanDerWaalsContact CE-CD 3.4Å; K12-E16 WeakPolarHBondContact CE-OE1 3.29Å; K12-E16 WeakPolarHBondContact CE-OE2 3.32Å; K12-E16 IonicContact NZ-OE1 3.55Å; K12-E16 PolarHBondContact NZ-OE1 3.16Å; K12-E16 IonicContact NZ-OE2 3.56Å; K12-E16 WeakPolarHBondContact O-CG 3.36Å; K12-E16 PolarHBondContact O-N 3.01Å; K12-L49 HydrophobicContact CB-CD1 4.34Å; K12-L49 HydrophobicContact CB-CD2 4.36Å; K12-L49 HydrophobicContact CD-CD2 4.35Å; K12-L49 HydrophobicContact CG-CD2 4.19Å
13K93Very high90Very high134 Ų13470.7 Ų70.758%0.58338%0.375SS*.Hα-helixtrans-63-41.9179.7-176.8-177.6178.1-175.10111.8S9 T10 L15 E16 N17S9-K13 WeakPolarHBondContact O-CB 3.45Å; S9-K13 PolarHBondContact O-N 3.18Å; T10-K13 WeakPolarHBondContact O-CB 3.13Å; T10-K13 PolarHBondContact O-N 2.74Å; T10-K13 VanDerWaalsContact O-N 3.08Å; K13-L15 VanDerWaalsContact C-N 3.33Å; K13-E16 PolarHBondContact O-N 3.1Å; K13-N17 PolarHBondContact O-N 3.45Å; K13-N17 VanDerWaalsContact O-N 3.1Å; K13-N17 PolarHBondContact O-ND2 2.72Å
14D92.6Very high90.4Very high71 Ų7175 Ų7538%0.3839%0.385SS..Hα-helixtrans-67.2-35.6177.6-69.6-17000111.9T10 F11 N17 L29T10-D14 PolarHBondContact O-N 3.36Å; F11-D14 PolarHBondContact O-N 3.43Å; D14-N17 PolarHBondContact O-N 3.25Å; D14-L29 HydrophobicContact CB-CD2 3.79Å
15L92.7Very high90.8Very high3 Ų376.5 Ų76.52%0.01638%0.382CS..Hα-helixtrans-68.4-41.2173.6-17365.7000112.2F11 K12 K13 N17 L18 L29 T50 H53 V68F11-L15 HydrophobicContact CE1-CD2 4.38Å; F11-L15 VanDerWaalsContact O-CB 3.32Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 3.25Å; K12-L15 PolarHBondContact O-N 3.45Å; K13-L15 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 2.9Å; L15-L18 WeakPolarHBondContact O-CB 3.44Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-L29 HydrophobicContact CB-CD2 4.34Å; L15-L29 HydrophobicContact CD1-CD1 3.97Å; L15-T50 HydrophobicContact CD2-CG2 4.03Å; L15-H53 HydrophobicContact CD2-CB 3.63Å; L15-H53 HydrophobicContact CG-CB 4.29Å; L15-H53 PolarHBondContact O-CE1 3.42Å; L15-H53 VanDerWaalsContact O-CE1 3.31Å; L15-V68 HydrophobicContact CD1-CG1 4.24Å; L15-V68 HydrophobicContact CD1-CG2 4.18Å
16E91.2Very high91.1Very high107 Ų10773.3 Ų73.350%0.536%0.358SS..Hα-helixtrans-66.3-21.2174-74176.8157.800113.2K12 K13K12-E16 VanDerWaalsContact CE-CD 3.4Å; K12-E16 WeakPolarHBondContact CE-OE1 3.29Å; K12-E16 WeakPolarHBondContact CE-OE2 3.32Å; K12-E16 IonicContact NZ-OE1 3.55Å; K12-E16 PolarHBondContact NZ-OE1 3.16Å; K12-E16 IonicContact NZ-OE2 3.56Å; K12-E16 WeakPolarHBondContact O-CG 3.36Å; K12-E16 PolarHBondContact O-N 3.01Å; K13-E16 PolarHBondContact O-N 3.1Å
17N90Very high91.4Very high87 Ų8771.5 Ų71.547%0.46535%0.348SS..THydrogen-bonded Turntrans-85.6-3.1174.2-75-45.1000114.4K13 D14 L15 K19K13-N17 PolarHBondContact O-N 3.45Å; K13-N17 VanDerWaalsContact O-N 3.1Å; K13-N17 PolarHBondContact O-ND2 2.72Å; D14-N17 PolarHBondContact O-N 3.25Å; L15-N17 PolarHBondContact O-N 2.9Å; N17-K19 PolarHBondContact O-N 3.46Å
18L89.2Confident91.6Very high7 Ų772.3 Ų72.34%0.03736%0.36CS..  trans-82.179-179.1-171.269000112L15 D20 K25 I26 L29 L64 V68L15-L18 WeakPolarHBondContact O-CB 3.44Å; L15-L18 PolarHBondContact O-N 2.96Å; L18-D20 WeakPolarHBondContact CD1-O 3.36Å; L18-K25 HydrophobicContact CD1-CB 3.67Å; L18-K25 HydrophobicContact CD1-CD 4.14Å; L18-I26 HydrophobicContact CD1-CG1 4.04Å; L18-I26 HydrophobicContact CD2-CG1 4Å; L18-L29 HydrophobicContact CD2-CD1 4.35Å; L18-L64 HydrophobicContact CD2-CB 4.3Å; L18-V68 HydrophobicContact CD2-CG2 3.33Å
19K87.6Confident91.8Very high143 Ų14371 Ų7162%0.62235%0.353SS*.  trans-83.2-22.2178.6-64.2-178.6-179.2177.40114.5N17 L61 L64N17-K19 PolarHBondContact O-N 3.46Å; K19-L61 WeakPolarHBondContact O-CD2 3.45Å; K19-L64 WeakPolarHBondContact O-CD1 3.21Å
20D88.6Confident92Very high103 Ų10368.1 Ų68.155%0.55133%0.332SS*.SBendtrans-131.1165.2-170.4-53.4-77.3000111.2L18 D22L18-D20 WeakPolarHBondContact CD1-O 3.36Å; D20-D22 PolarHBondContact O-N 3.13Å
21N89.6Confident92Very high103 Ų10367.2 Ų67.255%0.55133%0.325SS*.  trans-76.856.7175.1-168.227.1000112.4K23 I26 L64 Y67N21-K23 PolarHBondContact O-N 3.29Å; N21-I26 WeakPolarHBondContact OD1-CD1 3.48Å; N21-L64 HydrophobicContact CB-CD2 3.75Å; N21-Y67 WeakPolarHBondContact OD1-CD2 3.31Å
22D90.2Very high92Very high40 Ų4068.8 Ų68.821%0.21433%0.332CS..  trans-82.3105.9-177.1-176.7-22.6000110.7D20 Y24 K25 I26D20-D22 PolarHBondContact O-N 3.13Å; D22-Y24 PolarHBondContact O-N 2.94Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.47Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.48Å; D22-Y24 PolarHBondContact OD1-N 3.39Å; D22-K25 HydrophobicContact CB-CB 4.07Å; D22-K25 HydrophobicContact CB-CD 3.95Å; D22-K25 HydrophobicContact CB-CG 4.08Å; D22-K25 PolarHBondContact O-N 3.48Å; D22-K25 PolarHBondContact OD1-N 3.47Å; D22-K25 WeakPolarHBondContact OD2-CD 3.33Å; D22-K25 VanDerWaalsContact OD2-CE 3.23Å; D22-K25 WeakPolarHBondContact OD2-CE 3.25Å; D22-K25 WeakPolarHBondContact OD2-CG 3.28Å; D22-K25 IonicContact OD2-NZ 2.86Å; D22-K25 PolarHBondContact OD2-NZ 3.26Å; D22-I26 WeakPolarHBondContact O-CG1 3.26Å; D22-I26 PolarHBondContact O-N 2.91Å
23K90.9Very high92Very high143 Ų14364.4 Ų64.462%0.62231%0.313SS*.Hα-helixtrans-53.7-33.7176.9-176.4-179.4177.2-174.60112.7N21 N27N21-K23 PolarHBondContact O-N 3.29Å; K23-N27 WeakPolarHBondContact O-CB 3.43Å; K23-N27 PolarHBondContact O-N 3.17Å; K23-N27 PolarHBondContact O-ND2 2.96Å
24Y92.1Very high92.1Very high136 Ų13663 Ų6353%0.53330%0.304SS..Hα-helixtrans-76.4-40-178.9-58.3-73.3000111.8D22 N27 A28 L961D22-Y24 PolarHBondContact O-N 2.94Å; D22-Y24 WeakPolarHBondContact OD1-CA 3.47Å; D22-Y24 WeakPolarHBondContact OD1-CB 3.48Å; D22-Y24 PolarHBondContact OD1-N 3.39Å; Y24-N27 PolarHBondContact O-N 3.13Å; Y24-A28 WeakPolarHBondContact O-CB 3.22Å; Y24-A28 PolarHBondContact O-N 3Å; Y24-L961 HydrophobicContact CE1-CD1 4.12Å; Y24-L961 VanDerWaalsContact OH-CD1 3.25Å; Y24-L961 WeakPolarHBondContact OH-CD1 3.46Å
25K92.5Very high92.1Very high83 Ų8363.9 Ų63.936%0.36131%0.308SS..Hα-helixtrans-66.7-44.8173.4-67.5176.6-172.2115.70111.9L18 D22 N27 A28 L29L18-K25 HydrophobicContact CD1-CB 3.67Å; L18-K25 HydrophobicContact CD1-CD 4.14Å; D22-K25 HydrophobicContact CB-CB 4.07Å; D22-K25 HydrophobicContact CB-CD 3.95Å; D22-K25 HydrophobicContact CB-CG 4.08Å; D22-K25 PolarHBondContact O-N 3.48Å; D22-K25 PolarHBondContact OD1-N 3.47Å; D22-K25 WeakPolarHBondContact OD2-CD 3.33Å; D22-K25 VanDerWaalsContact OD2-CE 3.23Å; D22-K25 WeakPolarHBondContact OD2-CE 3.25Å; D22-K25 WeakPolarHBondContact OD2-CG 3.28Å; D22-K25 IonicContact OD2-NZ 2.86Å; D22-K25 PolarHBondContact OD2-NZ 3.26Å; K25-N27 VanDerWaalsContact C-N 3.34Å; K25-N27 PolarHBondContact O-N 2.92Å; K25-A28 WeakPolarHBondContact O-CB 3.26Å; K25-A28 PolarHBondContact O-N 3.31Å; K25-A28 VanDerWaalsContact O-N 3.15Å; K25-L29 PolarHBondContact O-N 3.1Å
26I94Very high91.9Very high12 Ų1266 Ų666%0.06232%0.318CS..Hα-helixtrans-61.8-42.7176-65.7170000110.5L18 N21 D22 L29 T30 V68L18-I26 HydrophobicContact CD1-CG1 4.04Å; L18-I26 HydrophobicContact CD2-CG1 4Å; N21-I26 WeakPolarHBondContact OD1-CD1 3.48Å; D22-I26 WeakPolarHBondContact O-CG1 3.26Å; D22-I26 PolarHBondContact O-N 2.91Å; I26-L29 PolarHBondContact O-N 2.82Å; I26-T30 WeakPolarHBondContact O-CB 3.42Å; I26-T30 PolarHBondContact O-N 3.49Å; I26-T30 PolarHBondContact O-OG1 3.04Å; I26-V68 HydrophobicContact CG1-CG2 4.15Å
27N93.8Very high91.8Very high43 Ų4364.6 Ų64.623%0.2331%0.311CS..Hα-helixtrans-65.9-35.5174.2-76.3-10.9000112.7K23 Y24 K25 T30 I31K23-N27 WeakPolarHBondContact O-CB 3.43Å; K23-N27 PolarHBondContact O-N 3.17Å; K23-N27 PolarHBondContact O-ND2 2.96Å; Y24-N27 PolarHBondContact O-N 3.13Å; K25-N27 VanDerWaalsContact C-N 3.34Å; K25-N27 PolarHBondContact O-N 2.92Å; N27-T30 WeakPolarHBondContact O-CB 3.28Å; N27-T30 PolarHBondContact O-N 3.14Å; N27-I31 WeakPolarHBondContact O-CB 3.25Å; N27-I31 VanDerWaalsContact O-CG1 3.26Å; N27-I31 WeakPolarHBondContact O-CG1 3.35Å; N27-I31 PolarHBondContact O-N 3.33Å
28A93.9Very high91.7Very high49 Ų4966.7 Ų66.741%0.40532%0.322SS..Hα-helixtrans-63.6-47.6175.400000111.7Y24 K25 T30 I31 F32Y24-A28 WeakPolarHBondContact O-CB 3.22Å; Y24-A28 PolarHBondContact O-N 3Å; K25-A28 WeakPolarHBondContact O-CB 3.26Å; K25-A28 PolarHBondContact O-N 3.31Å; K25-A28 VanDerWaalsContact O-N 3.15Å; A28-T30 VanDerWaalsContact C-N 3.27Å; A28-T30 PolarHBondContact O-N 3.16Å; A28-I31 PolarHBondContact O-N 3.34Å; A28-F32 WeakPolarHBondContact O-CB 3.13Å; A28-F32 PolarHBondContact O-N 2.94Å
29L94.6Very high91.6Very high3 Ų368.2 Ų68.22%0.01634%0.336CS..Hα-helixtrans-59.6-37.8172.7-68.8167000111.9F11 D14 L15 L18 K25 I26 F32 A33 V68F11-L29 HydrophobicContact CD2-CD2 3.73Å; F11-L29 HydrophobicContact CE2-CB 4.07Å; F11-L29 HydrophobicContact CE2-CD2 3.59Å; F11-L29 HydrophobicContact CE2-CG 4.45Å; F11-L29 HydrophobicContact CG-CD2 4.44Å; F11-L29 HydrophobicContact CZ-CD2 4.18Å; D14-L29 HydrophobicContact CB-CD2 3.79Å; L15-L29 HydrophobicContact CB-CD2 4.34Å; L15-L29 HydrophobicContact CD1-CD1 3.97Å; L18-L29 HydrophobicContact CD2-CD1 4.35Å; K25-L29 PolarHBondContact O-N 3.1Å; I26-L29 PolarHBondContact O-N 2.82Å; L29-F32 PolarHBondContact O-N 2.96Å; L29-A33 WeakPolarHBondContact O-CB 3.41Å; L29-A33 PolarHBondContact O-N 3Å; L29-V68 HydrophobicContact CB-CG1 4.35Å; L29-V68 HydrophobicContact CD1-CG1 4.21Å; L29-V68 HydrophobicContact CD1-CG2 3.89Å
30T95.2Very high91.4Very high8 Ų869.6 Ų69.65%0.04935%0.348CS..Hα-helixtrans-67.2-42.5177.4-56.20000112.1I26 N27 A28 A33 R34 S71 N75 V76I26-T30 WeakPolarHBondContact O-CB 3.42Å; I26-T30 PolarHBondContact O-N 3.49Å; I26-T30 PolarHBondContact O-OG1 3.04Å; N27-T30 WeakPolarHBondContact O-CB 3.28Å; N27-T30 PolarHBondContact O-N 3.14Å; A28-T30 VanDerWaalsContact C-N 3.27Å; A28-T30 PolarHBondContact O-N 3.16Å; T30-A33 PolarHBondContact O-N 3.42Å; T30-R34 WeakPolarHBondContact O-CB 3.34Å; T30-R34 PolarHBondContact O-N 3.09Å; T30-S71 WeakPolarHBondContact CG2-OG 3.25Å; T30-S71 WeakPolarHBondContact OG1-CB 3.47Å; T30-S71 PolarHBondContact OG1-OG 3.49Å; T30-N75 HydrophobicContact CG2-CB 3.86Å; T30-V76 HydrophobicContact CG2-CG2 4.12Å
31I93.5Very high91.3Very high45 Ų4566.8 Ų66.823%0.23134%0.343CS..Hα-helixtrans-65.8-43.9174.9-71.4164.2000110N27 A28 A33 R34 D35N27-I31 WeakPolarHBondContact O-CB 3.25Å; N27-I31 VanDerWaalsContact O-CG1 3.26Å; N27-I31 WeakPolarHBondContact O-CG1 3.35Å; N27-I31 PolarHBondContact O-N 3.33Å; A28-I31 PolarHBondContact O-N 3.34Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.41Å; I31-R34 WeakPolarHBondContact O-CB 3.28Å; I31-R34 PolarHBondContact O-N 3.11Å; I31-R34 VanDerWaalsContact O-N 3.08Å; I31-D35 VanDerWaalsContact CG2-OD2 3.22Å; I31-D35 WeakPolarHBondContact CG2-OD2 3.48Å; I31-D35 WeakPolarHBondContact O-CB 3.47Å; I31-D35 PolarHBondContact O-N 3.23Å
32F93.6Very high91.4Very high33 Ų3362.1 Ų62.115%0.14532%0.318CS..Hα-helixtrans-57.1-44.7174.8-167.6-76.2000111.9L7 T10 F11 A28 L29 D35 H36 I46L7-F32 HydrophobicContact CB-CZ 3.93Å; L7-F32 HydrophobicContact CD2-CE2 4.45Å; L7-F32 HydrophobicContact CD2-CZ 4.04Å; L7-F32 VanDerWaalsContact O-CZ 3.24Å; L7-F32 WeakPolarHBondContact O-CZ 3.38Å; T10-F32 HydrophobicContact CG2-CE2 4.41Å; F11-F32 HydrophobicContact CB-CD1 4Å; F11-F32 HydrophobicContact CB-CE1 3.73Å; F11-F32 HydrophobicContact CB-CZ 4.15Å; F11-F32 HydrophobicContact CD2-CB 4.22Å; F11-F32 AromaticContact CD2-CD1 3.5Å; F11-F32 HydrophobicContact CD2-CD1 3.5Å; F11-F32 VanDerWaalsContact CD2-CD1 3.5Å; F11-F32 HydrophobicContact CD2-CE1 4.11Å; F11-F32 AromaticContact CD2-CG 3.97Å; F11-F32 HydrophobicContact CD2-CG 3.97Å; F11-F32 HydrophobicContact CE2-CD1 4.38Å; F11-F32 HydrophobicContact CG-CD1 4.1Å; F11-F32 HydrophobicContact CG-CE1 4.26Å; A28-F32 WeakPolarHBondContact O-CB 3.13Å; A28-F32 PolarHBondContact O-N 2.94Å; L29-F32 PolarHBondContact O-N 2.96Å; F32-D35 PolarHBondContact O-N 3.33Å; F32-H36 AromaticContact CD1-ND1 3.43Å; F32-H36 WeakPolarHBondContact CD1-ND1 3.41Å; F32-H36 AromaticContact CD2-CE1 3.84Å; F32-H36 AromaticContact CD2-ND1 3.98Å; F32-H36 AromaticContact CE1-CE1 3.83Å; F32-H36 AromaticContact CE1-ND1 3.34Å; F32-H36 VanDerWaalsContact CE1-ND1 3.34Å; F32-H36 WeakPolarHBondContact CE1-ND1 3.34Å; F32-H36 AromaticContact CE2-CE1 3.58Å; F32-H36 AromaticContact CE2-ND1 3.91Å; F32-H36 AromaticContact CG-ND1 3.75Å; F32-H36 AromaticContact CZ-CE1 3.57Å; F32-H36 AromaticContact CZ-ND1 3.59Å; F32-H36 PolarHBondContact O-N 2.6Å; F32-H36 PolarHBondContact O-ND1 3.21Å; F32-I46 HydrophobicContact CD1-CD1 4.3Å; F32-I46 HydrophobicContact CE1-CD1 4.4Å
33A94.2Very high91.5Very high0 Ų060.6 Ų60.60%031%0.312CS..Hα-helixtrans-67-33.7176.300000112.9L29 T30 I31 K37 I46 I72 Y80L29-A33 WeakPolarHBondContact O-CB 3.41Å; L29-A33 PolarHBondContact O-N 3Å; T30-A33 PolarHBondContact O-N 3.42Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.41Å; A33-K37 WeakPolarHBondContact O-CB 3.48Å; A33-K37 PolarHBondContact O-N 3.43Å; A33-I46 HydrophobicContact CB-CG2 4.4Å; A33-I72 HydrophobicContact CB-CD1 4Å; A33-I72 HydrophobicContact CB-CG1 3.97Å; A33-I72 HydrophobicContact CB-CG2 4.12Å; A33-Y80 HydrophobicContact CB-CE2 4.23Å; A33-Y80 VanDerWaalsContact O-CE2 3.24Å; A33-Y80 WeakPolarHBondContact O-CE2 3.46Å; A33-Y80 PolarHBondContact O-OH 3.42Å
34R93.8Very high91.5Very high103 Ų10357.6 Ų57.639%0.38930%0.3SS..Hα-helixtrans-65.5-48.3174.2-172.8-169.666.7179.9-0.8111.6T30 I31 K37 V76T30-R34 WeakPolarHBondContact O-CB 3.34Å; T30-R34 PolarHBondContact O-N 3.09Å; I31-R34 WeakPolarHBondContact O-CB 3.28Å; I31-R34 PolarHBondContact O-N 3.11Å; I31-R34 VanDerWaalsContact O-N 3.08Å; R34-K37 WeakPolarHBondContact O-CB 3.29Å; R34-K37 WeakPolarHBondContact O-CD 3.4Å; R34-K37 VanDerWaalsContact O-CG 3.28Å; R34-K37 WeakPolarHBondContact O-CG 3.37Å; R34-K37 PolarHBondContact O-N 2.71Å; R34-V76 HydrophobicContact CB-CG1 4.21Å; R34-V76 HydrophobicContact CB-CG2 3.84Å; R34-V76 HydrophobicContact CG-CG1 4.36Å; R34-V76 HydrophobicContact CG-CG2 4.44Å
35D91.9Very high91.6Very high90 Ų9052.9 Ų52.948%0.48129%0.287SS..Hα-helixtrans-78.5-24.6-168.3-61-7.7000111.6I31 F32I31-D35 VanDerWaalsContact CG2-OD2 3.22Å; I31-D35 WeakPolarHBondContact CG2-OD2 3.48Å; I31-D35 WeakPolarHBondContact O-CB 3.47Å; I31-D35 PolarHBondContact O-N 3.23Å; F32-D35 PolarHBondContact O-N 3.33Å
36H90Very high91.7Very high48 Ų4848.9 Ų48.922%0.22227%0.269CS..THydrogen-bonded Turntrans-102.28.8174.6-55.9100.7000114.5F32 D38 A39 V42F32-H36 AromaticContact CD1-ND1 3.43Å; F32-H36 WeakPolarHBondContact CD1-ND1 3.41Å; F32-H36 AromaticContact CD2-CE1 3.84Å; F32-H36 AromaticContact CD2-ND1 3.98Å; F32-H36 AromaticContact CE1-CE1 3.83Å; F32-H36 AromaticContact CE1-ND1 3.34Å; F32-H36 VanDerWaalsContact CE1-ND1 3.34Å; F32-H36 WeakPolarHBondContact CE1-ND1 3.34Å; F32-H36 AromaticContact CE2-CE1 3.58Å; F32-H36 AromaticContact CE2-ND1 3.91Å; F32-H36 AromaticContact CG-ND1 3.75Å; F32-H36 AromaticContact CZ-CE1 3.57Å; F32-H36 AromaticContact CZ-ND1 3.59Å; F32-H36 PolarHBondContact O-N 2.6Å; F32-H36 PolarHBondContact O-ND1 3.21Å; H36-D38 PolarHBondContact O-N 3.16Å; H36-D38 VanDerWaalsContact O-N 3.16Å; H36-A39 WeakPolarHBondContact O-CB 3.4Å; H36-A39 PolarHBondContact O-N 3.22Å; H36-A39 VanDerWaalsContact O-N 3.17Å; H36-V42 HydrophobicContact CB-CG1 4.03Å
37K89.3Confident91.7Very high78 Ų7848.3 Ų48.334%0.33927%0.266SS..THydrogen-bonded Turntrans-58.6-30-175.378.2-171.5178.7-175.20114.1A33 R34 V76 Y80A33-K37 WeakPolarHBondContact O-CB 3.48Å; A33-K37 PolarHBondContact O-N 3.43Å; R34-K37 WeakPolarHBondContact O-CB 3.29Å; R34-K37 WeakPolarHBondContact O-CD 3.4Å; R34-K37 VanDerWaalsContact O-CG 3.28Å; R34-K37 WeakPolarHBondContact O-CG 3.37Å; R34-K37 PolarHBondContact O-N 2.71Å; K37-V76 HydrophobicContact CB-CG1 4.48Å; K37-V76 HydrophobicContact CD-CG1 4.39Å; K37-Y80 HydrophobicContact CB-CE2 3.91Å
38D87.4Confident91.7Very high130 Ų13050 Ų5070%0.69528%0.275SS*.THydrogen-bonded Turntrans-93.5-5.2-173.9-59.3-50000112.2H36H36-D38 PolarHBondContact O-N 3.16Å; H36-D38 VanDerWaalsContact O-N 3.16Å
39A86.4Confident91.7Very high40 Ų4049.7 Ų49.733%0.33127%0.266SS..SBendtrans-77.4127.9176.900000111H36 G41 V42H36-A39 WeakPolarHBondContact O-CB 3.4Å; H36-A39 PolarHBondContact O-N 3.22Å; H36-A39 VanDerWaalsContact O-N 3.17Å; A39-G41 PolarHBondContact O-N 3.18Å; A39-V42 HydrophobicContact CB-CB 3.94Å; A39-V42 HydrophobicContact CB-CG2 3.66Å; A39-V42 PolarHBondContact O-N 3.05Å
40I84.2Confident91.7Very high172 Ų17249.7 Ų49.788%0.88227%0.267SS*.THydrogen-bonded Turntrans-57.2126.2-174.6-59.8171000110.2V42I40-V42 PolarHBondContact O-N 3.4Å
41G86.9Confident91.7Very high44 Ų4450 Ų5045%0.45427%0.268SS..THydrogen-bonded Turntrans78-33.5-179.300000115.2A39 A43 Q44 S45A39-G41 PolarHBondContact O-N 3.18Å; G41-A43 VanDerWaalsContact C-N 3.33Å; G41-A43 PolarHBondContact O-N 2.94Å; G41-Q44 WeakPolarHBondContact O-CB 3.38Å; G41-Q44 PolarHBondContact O-N 2.9Å; G41-S45 PolarHBondContact O-N 3.48Å; G41-S45 PolarHBondContact O-OG 2.9Å
42V91Very high91.7Very high4 Ų454.3 Ų54.32%0.02429%0.285CS..Hα-helixtrans-58.1-42.3-173.4-177.90000112.4A4 L8 H36 A39 I40 Q44 S45 I46A4-V42 HydrophobicContact CB-CG2 4.06Å; L8-V42 HydrophobicContact CD2-CG1 4.2Å; H36-V42 HydrophobicContact CB-CG1 4.03Å; A39-V42 HydrophobicContact CB-CB 3.94Å; A39-V42 HydrophobicContact CB-CG2 3.66Å; A39-V42 PolarHBondContact O-N 3.05Å; I40-V42 PolarHBondContact O-N 3.4Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.06Å; V42-S45 PolarHBondContact O-N 3.41Å; V42-I46 HydrophobicContact CG1-CD1 3.91Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 WeakPolarHBondContact O-CB 3.41Å; V42-I46 WeakPolarHBondContact O-CG1 3.09Å; V42-I46 PolarHBondContact O-N 2.91Å
43A91.7Very high91.7Very high9 Ų954.1 Ų54.17%0.07428%0.284CS..Hα-helixtrans-63.4-31.3177.900000113.6G41 V47 P79 Y80G41-A43 VanDerWaalsContact C-N 3.33Å; G41-A43 PolarHBondContact O-N 2.94Å; A43-V47 WeakPolarHBondContact O-CG2 3.47Å; A43-V47 PolarHBondContact O-N 3.47Å; A43-P79 HydrophobicContact CB-CG 3.77Å; A43-Y80 HydrophobicContact CB-CE1 4.04Å; A43-Y80 WeakPolarHBondContact O-CE1 2.89Å
44Q92.7Very high91.6Very high79 Ų7954.1 Ų54.137%0.36929%0.285SS..Hα-helixtrans-73.4-48.6172.6-176.763.74900110.1G41 V42 I46 V47 D48G41-Q44 WeakPolarHBondContact O-CB 3.38Å; G41-Q44 PolarHBondContact O-N 2.9Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.06Å; Q44-I46 PolarHBondContact O-N 2.75Å; Q44-V47 CarbonylContact O-C 3.58Å; Q44-V47 WeakPolarHBondContact O-CA 3.45Å; Q44-V47 WeakPolarHBondContact O-CB 3.26Å; Q44-V47 PolarHBondContact O-N 3.45Å; Q44-D48 PolarHBondContact NE2-OD1 2.92Å; Q44-D48 PolarHBondContact O-N 2.64Å
45S92.9Very high91.5Very high37 Ų3754 Ų5426%0.25929%0.288SS..Hα-helixtrans-62.4-29.4180-570000113.5L8 G41 V42 L49L8-S45 VanDerWaalsContact CD1-CB 3.49Å; G41-S45 PolarHBondContact O-N 3.48Å; G41-S45 PolarHBondContact O-OG 2.9Å; V42-S45 PolarHBondContact O-N 3.41Å; S45-L49 VanDerWaalsContact O-CB 3.28Å; S45-L49 WeakPolarHBondContact O-CB 3.46Å; S45-L49 WeakPolarHBondContact O-CG 3.43Å; S45-L49 PolarHBondContact O-N 3.17Å
46I94.4Very high91.5Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-64-41.6169.8-77.4171.6000111.3L8 F11 F32 A33 V42 Q44 T50 Y80L8-I46 HydrophobicContact CD2-CG1 4.03Å; F11-I46 HydrophobicContact CD1-CG1 4.16Å; F11-I46 HydrophobicContact CE1-CB 4.38Å; F11-I46 HydrophobicContact CE1-CG1 4.25Å; F11-I46 HydrophobicContact CE1-CG2 3.9Å; F11-I46 HydrophobicContact CE2-CG2 4.36Å; F11-I46 HydrophobicContact CG-CG1 4.37Å; F11-I46 HydrophobicContact CZ-CG2 3.74Å; F32-I46 HydrophobicContact CD1-CD1 4.3Å; F32-I46 HydrophobicContact CE1-CD1 4.4Å; A33-I46 HydrophobicContact CB-CG2 4.4Å; V42-I46 HydrophobicContact CG1-CD1 3.91Å; V42-I46 HydrophobicContact CG1-CG1 4.36Å; V42-I46 WeakPolarHBondContact O-CB 3.41Å; V42-I46 WeakPolarHBondContact O-CG1 3.09Å; V42-I46 PolarHBondContact O-N 2.91Å; Q44-I46 PolarHBondContact O-N 2.75Å; I46-T50 WeakPolarHBondContact O-CG2 3.23Å; I46-T50 PolarHBondContact O-N 2.8Å; I46-T50 PolarHBondContact O-OG1 2.95Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å; I46-Y80 HydrophobicContact CB-CE1 4.23Å; I46-Y80 HydrophobicContact CG2-CE1 3.8Å
47V94.9Very high91.5Very high0 Ų055.3 Ų55.30%029%0.294CS..Hα-helixtrans-66.8-46.8175.6171.80000110.5A43 Q44 L49 T50 L51 Y80 L83 Y84A43-V47 WeakPolarHBondContact O-CG2 3.47Å; A43-V47 PolarHBondContact O-N 3.47Å; Q44-V47 CarbonylContact O-C 3.58Å; Q44-V47 WeakPolarHBondContact O-CA 3.45Å; Q44-V47 WeakPolarHBondContact O-CB 3.26Å; Q44-V47 PolarHBondContact O-N 3.45Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.92Å; V47-T50 PolarHBondContact O-N 2.81Å; V47-T50 PolarHBondContact O-OG1 2.85Å; V47-T50 VanDerWaalsContact O-OG1 3.04Å; V47-L51 HydrophobicContact CG1-CD1 3.54Å; V47-L51 HydrophobicContact CG1-CG 4.11Å; V47-L51 WeakPolarHBondContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.41Å; V47-L51 PolarHBondContact O-N 3.46Å; V47-Y80 HydrophobicContact CG2-CD1 3.79Å; V47-Y80 HydrophobicContact CG2-CE1 4.29Å; V47-L83 HydrophobicContact CB-CB 4.5Å; V47-L83 HydrophobicContact CG1-CB 4.27Å; V47-L83 HydrophobicContact CG2-CB 3.88Å; V47-L83 HydrophobicContact CG2-CD1 4.01Å; V47-Y84 HydrophobicContact CB-CE1 4.26Å; V47-Y84 HydrophobicContact CG1-CD1 3.88Å; V47-Y84 HydrophobicContact CG1-CE1 3.88Å; V47-Y84 HydrophobicContact CG1-CG 4.4Å; V47-Y84 HydrophobicContact CG2-CD1 4.4Å; V47-Y84 HydrophobicContact CG2-CD2 4.11Å; V47-Y84 HydrophobicContact CG2-CE1 4.06Å; V47-Y84 HydrophobicContact CG2-CE2 3.78Å; V47-Y84 HydrophobicContact CG2-CG 4.44Å
48D94.3Very high91.5Very high77 Ų7755.8 Ų55.841%0.41231%0.305SS..Hα-helixtrans-59.8-41178.4-53-25.9000111.3Q44 K52Q44-D48 PolarHBondContact NE2-OD1 2.92Å; Q44-D48 PolarHBondContact O-N 2.64Å; D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 PolarHBondContact O-N 2.97Å; D48-K52 VanDerWaalsContact O-N 3.09Å
49L93.9Very high91.6Very high43 Ų4351.5 Ų51.523%0.22529%0.288CS..Hα-helixtrans-66.5-44.9176.3-76.9171.1000112.7L8 F11 K12 S45 V47 H53L8-L49 HydrophobicContact CB-CD1 4.25Å; L8-L49 HydrophobicContact CD2-CD1 3.9Å; F11-L49 HydrophobicContact CD1-CD1 4.28Å; K12-L49 HydrophobicContact CB-CD1 4.34Å; K12-L49 HydrophobicContact CB-CD2 4.36Å; K12-L49 HydrophobicContact CD-CD2 4.35Å; K12-L49 HydrophobicContact CG-CD2 4.19Å; S45-L49 VanDerWaalsContact O-CB 3.28Å; S45-L49 WeakPolarHBondContact O-CB 3.46Å; S45-L49 WeakPolarHBondContact O-CG 3.43Å; S45-L49 PolarHBondContact O-N 3.17Å; V47-L49 VanDerWaalsContact C-N 3.29Å; V47-L49 PolarHBondContact O-N 2.92Å; L49-H53 WeakPolarHBondContact O-CB 3.49Å; L49-H53 PolarHBondContact O-N 3.2Å
50T94.1Very high91.6Very high3 Ų352.5 Ų52.52%0.01830%0.302CS..Hα-helixtrans-69.9-43.2-179.952.40000112.2F11 L15 I46 V47 H53 V54 V68 Y84F11-T50 HydrophobicContact CE1-CG2 3.86Å; F11-T50 HydrophobicContact CZ-CG2 3.91Å; L15-T50 HydrophobicContact CD2-CG2 4.03Å; I46-T50 WeakPolarHBondContact O-CG2 3.23Å; I46-T50 PolarHBondContact O-N 2.8Å; I46-T50 PolarHBondContact O-OG1 2.95Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å; V47-T50 PolarHBondContact O-N 2.81Å; V47-T50 PolarHBondContact O-OG1 2.85Å; V47-T50 VanDerWaalsContact O-OG1 3.04Å; T50-H53 PolarHBondContact O-N 3.14Å; T50-V54 WeakPolarHBondContact O-CG2 3.49Å; T50-V54 PolarHBondContact O-N 3.32Å; T50-V68 HydrophobicContact CG2-CG1 4.3Å; T50-Y84 WeakPolarHBondContact OG1-CE1 3.44Å; T50-Y84 PolarHBondContact OG1-OH 3.07Å
51L94.9Very high91.8Very high14 Ų1447.1 Ų47.17%0.07328%0.275CS..Hα-helixtrans-59.3-48.8175.9-67.2170.7000110.7V47 H53 V54 Q55 I69 Y84 D87 V91V47-L51 HydrophobicContact CG1-CD1 3.54Å; V47-L51 HydrophobicContact CG1-CG 4.11Å; V47-L51 WeakPolarHBondContact O-CB 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.41Å; V47-L51 PolarHBondContact O-N 3.46Å; L51-H53 VanDerWaalsContact C-N 3.34Å; L51-H53 PolarHBondContact O-N 2.92Å; L51-V54 PolarHBondContact O-N 2.91Å; L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.16Å; L51-I69 HydrophobicContact CD2-CD1 4.39Å; L51-Y84 HydrophobicContact CD2-CD1 4.11Å; L51-Y84 HydrophobicContact CD2-CE1 4.36Å; L51-Y84 HydrophobicContact CG-CD1 4.42Å; L51-Y84 HydrophobicContact CG-CE1 4.36Å; L51-D87 HydrophobicContact CD1-CB 3.81Å; L51-D87 HydrophobicContact CD2-CB 4.03Å; L51-V91 HydrophobicContact CD2-CB 4.27Å; L51-V91 HydrophobicContact CD2-CG1 4.45Å; L51-V91 HydrophobicContact CD2-CG2 3.71Å
52K93.3Very high92.1Very high136 Ų13645.4 Ų45.459%0.59126%0.255SS*.Hα-helixtrans-62.8-38.6176.9-173.4169.4-175.41690112.3D48 Q55 M56D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 PolarHBondContact O-N 2.97Å; D48-K52 VanDerWaalsContact O-N 3.09Å; K52-Q55 PolarHBondContact O-N 2.93Å; K52-M56 HydrophobicContact CG-CG 4.36Å; K52-M56 WeakPolarHBondContact O-CB 3.42Å; K52-M56 VanDerWaalsContact O-CG 3.26Å; K52-M56 WeakPolarHBondContact O-CG 3.33Å; K52-M56 PolarHBondContact O-N 3.22Å
53H93Very high92.2Very high29 Ų2946 Ų4613%0.13426%0.258CS..Hα-helixtrans-63.4-47.9175.4179.490.5000111.6L15 L49 T50 L51 Q55 M56 I57L15-H53 HydrophobicContact CD2-CB 3.63Å; L15-H53 HydrophobicContact CG-CB 4.29Å; L15-H53 PolarHBondContact O-CE1 3.42Å; L15-H53 VanDerWaalsContact O-CE1 3.31Å; L49-H53 WeakPolarHBondContact O-CB 3.49Å; L49-H53 PolarHBondContact O-N 3.2Å; T50-H53 PolarHBondContact O-N 3.14Å; L51-H53 VanDerWaalsContact C-N 3.34Å; L51-H53 PolarHBondContact O-N 2.92Å; H53-Q55 VanDerWaalsContact C-N 3.26Å; H53-Q55 PolarHBondContact O-N 3.15Å; H53-M56 PolarHBondContact O-N 2.83Å; H53-M56 VanDerWaalsContact O-N 3.1Å; H53-I57 VanDerWaalsContact CE1-CG2 3.46Å; H53-I57 WeakPolarHBondContact CE1-CG2 3.44Å; H53-I57 WeakPolarHBondContact O-CG1 3.48Å; H53-I57 WeakPolarHBondContact O-CG2 3.33Å; H53-I57 PolarHBondContact O-N 3.06Å
54V93.5Very high92.2Very high1 Ų146.5 Ų46.51%0.00626%0.259CS..Hα-helixtrans-60.2-35.5176.1177.80000111.9T50 L51 K62 L66 I69 V91 S95T50-V54 WeakPolarHBondContact O-CG2 3.49Å; T50-V54 PolarHBondContact O-N 3.32Å; L51-V54 PolarHBondContact O-N 2.91Å; V54-K62 PolarHBondContact O-NZ 3.14Å; V54-L66 HydrophobicContact CG1-CD2 4.34Å; V54-L66 HydrophobicContact CG1-CG 4.32Å; V54-I69 HydrophobicContact CG2-CD1 4.05Å; V54-V91 HydrophobicContact CB-CG1 3.9Å; V54-V91 HydrophobicContact CG1-CG1 3.48Å; V54-V91 VanDerWaalsContact CG1-CG1 3.48Å; V54-S95 WeakPolarHBondContact CG1-OG 3.39Å
55Q92Very high92.3Very high99 Ų9942.8 Ų42.846%0.46324%0.242SC..Hα-helixtrans-65.8-46.1172.9-71.6172.5-7.200112.1L51 K52 H53 K62 V91 H94L51-Q55 WeakPolarHBondContact O-CG 3.39Å; L51-Q55 PolarHBondContact O-N 3.16Å; K52-Q55 PolarHBondContact O-N 2.93Å; H53-Q55 VanDerWaalsContact C-N 3.26Å; H53-Q55 PolarHBondContact O-N 3.15Å; Q55-K62 PolarHBondContact O-NZ 3.43Å; Q55-V91 HydrophobicContact CG-CG2 4.44Å; Q55-H94 PolarHBondContact O-CE1 3.25Å
56M90.5Very high92.4Very high145 Ų14541 Ų4171%0.71423%0.23SC*.Hα-helixtrans-79.8-28.5-173.3-67.2-58.6-56.500115.9K52 H53K52-M56 HydrophobicContact CG-CG 4.36Å; K52-M56 WeakPolarHBondContact O-CB 3.42Å; K52-M56 VanDerWaalsContact O-CG 3.26Å; K52-M56 WeakPolarHBondContact O-CG 3.33Å; K52-M56 PolarHBondContact O-N 3.22Å; H53-M56 PolarHBondContact O-N 2.83Å; H53-M56 VanDerWaalsContact O-N 3.1Å
57I90.9Very high92.4Very high22 Ų2243.5 Ų43.511%0.11324%0.239CC..SBendtrans-71.6152-174.559.8-167.9000113.9H53 L61 K62H53-I57 VanDerWaalsContact CE1-CG2 3.46Å; H53-I57 WeakPolarHBondContact CE1-CG2 3.44Å; H53-I57 WeakPolarHBondContact O-CG1 3.48Å; H53-I57 WeakPolarHBondContact O-CG2 3.33Å; H53-I57 PolarHBondContact O-N 3.06Å; I57-L61 HydrophobicContact CB-CB 4.37Å; I57-L61 HydrophobicContact CD1-CB 4.25Å; I57-L61 WeakPolarHBondContact CD1-O 3.34Å; I57-L61 HydrophobicContact CG1-CB 4.39Å; I57-K62 HydrophobicContact CG1-CG 3.96Å; I57-K62 PolarHBondContact O-NZ 2.94Å
58P89.7Confident92.4Very high87 Ų8743.5 Ų43.557%0.56524%0.239SC*.  trans-53.4150.2175-27.335.3000113.7G60 L61 K62P58-G60 PolarHBondContact O-N 3.26Å; P58-L61 PolarHBondContact O-N 3.47Å; P58-K62 PolarHBondContact O-N 3.34Å
59A88.5Confident92.5Very high41 Ų4139.9 Ų39.934%0.33922%0.22SC..Hα-helixtrans-48.1-49.4-173.100000114.2L61 K62 S98 I99A59-L61 PolarHBondContact O-N 2.91Å; A59-K62 WeakPolarHBondContact O-CB 3.43Å; A59-K62 PolarHBondContact O-N 2.89Å; A59-K62 VanDerWaalsContact O-N 3.14Å; A59-S98 WeakPolarHBondContact CB-O 3.5Å; A59-I99 WeakPolarHBondContact O-CG1 3.42Å
60G85.9Confident92.5Very high60 Ų6038.9 Ų38.962%0.61922%0.215SC*.Hα-helixtrans-62.9-21.2179.800000115.1P58P58-G60 PolarHBondContact O-N 3.26Å
61L90Very high92.6Very high60 Ų6039.3 Ų39.331%0.31422%0.218SC..Hα-helixtrans-95.2-13.7177.8-57.1-176.4000113.2K19 I57 P58 A59 L63 L64K19-L61 WeakPolarHBondContact O-CD2 3.45Å; I57-L61 HydrophobicContact CB-CB 4.37Å; I57-L61 HydrophobicContact CD1-CB 4.25Å; I57-L61 WeakPolarHBondContact CD1-O 3.34Å; I57-L61 HydrophobicContact CG1-CB 4.39Å; P58-L61 PolarHBondContact O-N 3.47Å; A59-L61 PolarHBondContact O-N 2.91Å; L61-L63 PolarHBondContact O-N 3.18Å; L61-L63 VanDerWaalsContact O-N 3.12Å; L61-L64 HydrophobicContact CD2-CD1 3.87Å; L61-L64 WeakPolarHBondContact O-CB 3.45Å; L61-L64 PolarHBondContact O-N 3.35Å
62K92.6Very high92.6Very high8 Ų838.7 Ų38.74%0.03522%0.215CC..Hα-helixtrans-55.3-34.2-179.1-68.5-164.8-176.5-51.20113.1V54 Q55 I57 P58 A59 L64 G65 L66 S98 I99V54-K62 PolarHBondContact O-NZ 3.14Å; Q55-K62 PolarHBondContact O-NZ 3.43Å; I57-K62 HydrophobicContact CG1-CG 3.96Å; I57-K62 PolarHBondContact O-NZ 2.94Å; P58-K62 PolarHBondContact O-N 3.34Å; A59-K62 WeakPolarHBondContact O-CB 3.43Å; A59-K62 PolarHBondContact O-N 2.89Å; A59-K62 VanDerWaalsContact O-N 3.14Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.11Å; K62-G65 PolarHBondContact O-N 3.28Å; K62-L66 WeakPolarHBondContact O-CG 3.38Å; K62-L66 PolarHBondContact O-N 3.19Å; K62-L66 VanDerWaalsContact O-N 3.11Å; K62-S98 WeakPolarHBondContact CE-OG 3.43Å; K62-I99 HydrophobicContact CB-CD1 4.23Å
63L92.6Very high92.7Very high17 Ų1732.2 Ų32.29%0.08919%0.187CC..Hα-helixtrans-63.6-32.4176-172.765000113.3L61 L66 Y67 I99 K107 L108L61-L63 PolarHBondContact O-N 3.18Å; L61-L63 VanDerWaalsContact O-N 3.12Å; L63-L66 PolarHBondContact O-N 3.38Å; L63-Y67 HydrophobicContact CD1-CD1 4.45Å; L63-Y67 HydrophobicContact CD1-CE1 3.8Å; L63-Y67 HydrophobicContact CD2-CE2 4.24Å; L63-Y67 HydrophobicContact CG-CE1 4.04Å; L63-Y67 HydrophobicContact CG-CE2 3.96Å; L63-Y67 VanDerWaalsContact O-CG 3.31Å; L63-Y67 PolarHBondContact O-N 3.46Å; L63-I99 HydrophobicContact CB-CD1 4.34Å; L63-K107 HydrophobicContact CD1-CB 4.26Å; L63-K107 HydrophobicContact CD2-CB 3.71Å; L63-K107 HydrophobicContact CD2-CD 3.55Å; L63-K107 HydrophobicContact CD2-CG 4.27Å; L63-L108 HydrophobicContact CD1-CD2 3.89Å; L63-L108 HydrophobicContact CD1-CG 4.45Å
64L92.7Very high92.7Very high18 Ų1834 Ų349%0.09419%0.194CC..Hα-helixtrans-68.2-45.1177.4-57.5-177.5000111.4L18 K19 N21 L61 K62 L66 Y67 V68L18-L64 HydrophobicContact CD2-CB 4.3Å; K19-L64 WeakPolarHBondContact O-CD1 3.21Å; N21-L64 HydrophobicContact CB-CD2 3.75Å; L61-L64 HydrophobicContact CD2-CD1 3.87Å; L61-L64 WeakPolarHBondContact O-CB 3.45Å; L61-L64 PolarHBondContact O-N 3.35Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.11Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 2.9Å; L64-Y67 WeakPolarHBondContact O-CA 3.37Å; L64-Y67 WeakPolarHBondContact O-CB 3.37Å; L64-Y67 PolarHBondContact O-N 3.21Å; L64-V68 PolarHBondContact O-N 2.87Å
65G93Very high92.7Very high2 Ų239.3 Ų39.32%0.02122%0.222CC..Hα-helixtrans-64.2-34.9175.300000112.4K62 V68 I69K62-G65 PolarHBondContact O-N 3.28Å; G65-V68 PolarHBondContact O-N 2.95Å; G65-I69 WeakPolarHBondContact O-CG1 3.35Å; G65-I69 PolarHBondContact O-N 2.76Å; G65-I69 VanDerWaalsContact O-N 3.09Å
66L94.9Very high92.7Very high0 Ų035.6 Ų35.60%021%0.207CC..Hα-helixtrans-64.7-35.2169.8-71.4175.5000112.8V54 K62 L63 L64 I69 D70 V91 L108 L111V54-L66 HydrophobicContact CG1-CD2 4.34Å; V54-L66 HydrophobicContact CG1-CG 4.32Å; K62-L66 WeakPolarHBondContact O-CG 3.38Å; K62-L66 PolarHBondContact O-N 3.19Å; K62-L66 VanDerWaalsContact O-N 3.11Å; L63-L66 PolarHBondContact O-N 3.38Å; L64-L66 VanDerWaalsContact C-N 3.29Å; L64-L66 PolarHBondContact O-N 2.9Å; L66-I69 PolarHBondContact O-N 2.75Å; L66-D70 VanDerWaalsContact O-CB 3.32Å; L66-D70 WeakPolarHBondContact O-CB 3.45Å; L66-D70 PolarHBondContact O-N 3.25Å; L66-V91 HydrophobicContact CD2-CG1 4.24Å; L66-L108 HydrophobicContact CD1-CD2 3.44Å; L66-L108 VanDerWaalsContact CD1-CD2 3.44Å; L66-L111 HydrophobicContact CB-CD2 3.84Å; L66-L111 HydrophobicContact CD1-CD2 4.46Å
67Y95.2Very high92.7Very high52 Ų5229.1 Ų29.120%0.20418%0.177CC..Hα-helixtrans-68.9-31.1172.6-66.2-20.9000113.2N21 L63 L64 S71 L111N21-Y67 WeakPolarHBondContact OD1-CD2 3.31Å; L63-Y67 HydrophobicContact CD1-CD1 4.45Å; L63-Y67 HydrophobicContact CD1-CE1 3.8Å; L63-Y67 HydrophobicContact CD2-CE2 4.24Å; L63-Y67 HydrophobicContact CG-CE1 4.04Å; L63-Y67 HydrophobicContact CG-CE2 3.96Å; L63-Y67 VanDerWaalsContact O-CG 3.31Å; L63-Y67 PolarHBondContact O-N 3.46Å; L64-Y67 WeakPolarHBondContact O-CA 3.37Å; L64-Y67 WeakPolarHBondContact O-CB 3.37Å; L64-Y67 PolarHBondContact O-N 3.21Å; Y67-S71 WeakPolarHBondContact O-CB 3.43Å; Y67-S71 PolarHBondContact O-N 2.98Å; Y67-L111 HydrophobicContact CD1-CD1 4.1Å; Y67-L111 HydrophobicContact CD1-CD2 4.23Å; Y67-L111 HydrophobicContact CE1-CD1 4.2Å; Y67-L111 HydrophobicContact CE1-CD2 4.31Å
68V95Very high92.6Very high0 Ų032.6 Ų32.60%020%0.199CC..Hα-helixtrans-64.4-47.6170.11750000110.8L15 L18 I26 L29 T50 L64 G65 D70 S71 I72L15-V68 HydrophobicContact CD1-CG1 4.24Å; L15-V68 HydrophobicContact CD1-CG2 4.18Å; L18-V68 HydrophobicContact CD2-CG2 3.33Å; I26-V68 HydrophobicContact CG1-CG2 4.15Å; L29-V68 HydrophobicContact CB-CG1 4.35Å; L29-V68 HydrophobicContact CD1-CG1 4.21Å; L29-V68 HydrophobicContact CD1-CG2 3.89Å; T50-V68 HydrophobicContact CG2-CG1 4.3Å; L64-V68 PolarHBondContact O-N 2.87Å; G65-V68 PolarHBondContact O-N 2.95Å; V68-D70 PolarHBondContact O-N 2.72Å; V68-S71 PolarHBondContact O-N 3.01Å; V68-I72 HydrophobicContact CG1-CD1 3.8Å; V68-I72 WeakPolarHBondContact O-CG1 3.37Å; V68-I72 PolarHBondContact O-N 2.78Å
69I95.5Very high92.7Very high1 Ų130.5 Ų30.51%0.00519%0.185CC..Hα-helixtrans-59.1-48.6175.9-65.7174.5000110.1L51 V54 G65 L66 S71 I72 V73 Y84 I88L51-I69 HydrophobicContact CD2-CD1 4.39Å; V54-I69 HydrophobicContact CG2-CD1 4.05Å; G65-I69 WeakPolarHBondContact O-CG1 3.35Å; G65-I69 PolarHBondContact O-N 2.76Å; G65-I69 VanDerWaalsContact O-N 3.09Å; L66-I69 PolarHBondContact O-N 2.75Å; I69-S71 PolarHBondContact O-N 2.9Å; I69-I72 PolarHBondContact O-N 3.45Å; I69-V73 HydrophobicContact CG2-CG2 4.04Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 WeakPolarHBondContact O-CG2 3.46Å; I69-V73 PolarHBondContact O-N 3.14Å; I69-Y84 HydrophobicContact CB-CE1 4.32Å; I69-Y84 HydrophobicContact CD1-CD1 4.39Å; I69-Y84 HydrophobicContact CD1-CE1 3.94Å; I69-Y84 HydrophobicContact CG1-CD1 4.4Å; I69-Y84 HydrophobicContact CG1-CE1 3.69Å; I69-Y84 HydrophobicContact CG2-CD1 3.81Å; I69-Y84 HydrophobicContact CG2-CD2 4.35Å; I69-Y84 HydrophobicContact CG2-CE1 3.83Å; I69-Y84 HydrophobicContact CG2-CE2 4.34Å; I69-Y84 HydrophobicContact CG2-CG 4.08Å; I69-I88 HydrophobicContact CG2-CD1 4.24Å
70D95.5Very high93Very high22 Ų2228.5 Ų28.512%0.11817%0.169CC..Hα-helixtrans-55.4-47.6178.4-17663.4000112.9L66 V68 V73 K74 L111 W115L66-D70 VanDerWaalsContact O-CB 3.32Å; L66-D70 WeakPolarHBondContact O-CB 3.45Å; L66-D70 PolarHBondContact O-N 3.25Å; V68-D70 PolarHBondContact O-N 2.72Å; D70-V73 PolarHBondContact O-N 3.26Å; D70-K74 VanDerWaalsContact O-CB 3.29Å; D70-K74 WeakPolarHBondContact O-CB 3.19Å; D70-K74 WeakPolarHBondContact O-CG 3.49Å; D70-K74 PolarHBondContact O-N 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.35Å; D70-K74 IonicContact OD1-NZ 2.72Å; D70-K74 PolarHBondContact OD1-NZ 2.97Å; D70-K74 WeakPolarHBondContact OD2-CD 3.32Å; D70-K74 WeakPolarHBondContact OD2-CE 3.25Å; D70-K74 IonicContact OD2-NZ 4Å; D70-K74 PolarHBondContact OD2-NZ 3.01Å; D70-L111 HydrophobicContact CB-CD1 3.89Å; D70-W115 PolarHBondContact OD1-NE1 3.47Å
71S95.1Very high93.4Very high12 Ų1229.7 Ų29.78%0.08416%0.155CC..Hα-helixtrans-64.2-44.9178.5-175.90000112.5T30 Y67 V68 I69 N75T30-S71 WeakPolarHBondContact CG2-OG 3.25Å; T30-S71 WeakPolarHBondContact OG1-CB 3.47Å; T30-S71 PolarHBondContact OG1-OG 3.49Å; Y67-S71 WeakPolarHBondContact O-CB 3.43Å; Y67-S71 PolarHBondContact O-N 2.98Å; V68-S71 PolarHBondContact O-N 3.01Å; I69-S71 PolarHBondContact O-N 2.9Å; S71-N75 VanDerWaalsContact O-CB 3.24Å; S71-N75 WeakPolarHBondContact O-CB 3.46Å; S71-N75 PolarHBondContact O-N 3.09Å; S71-N75 PolarHBondContact O-ND2 3.46Å; S71-N75 PolarHBondContact OG-ND2 3.32Å
72I95.2Very high93.5Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-61.3-47.2176.8-67.1168.2000110.5F11 A33 V68 I69 V76 G77 Y80 Y84F11-I72 HydrophobicContact CZ-CD1 4.45Å; A33-I72 HydrophobicContact CB-CD1 4Å; A33-I72 HydrophobicContact CB-CG1 3.97Å; A33-I72 HydrophobicContact CB-CG2 4.12Å; V68-I72 HydrophobicContact CG1-CD1 3.8Å; V68-I72 WeakPolarHBondContact O-CG1 3.37Å; V68-I72 PolarHBondContact O-N 2.78Å; I69-I72 PolarHBondContact O-N 3.45Å; I72-V76 HydrophobicContact CG2-CG2 4.41Å; I72-V76 WeakPolarHBondContact O-CA 3.42Å; I72-V76 VanDerWaalsContact O-CB 3.29Å; I72-V76 WeakPolarHBondContact O-CB 3.35Å; I72-V76 PolarHBondContact O-N 2.97Å; I72-G77 PolarHBondContact O-N 3.09Å; I72-Y80 HydrophobicContact CG2-CD1 3.86Å; I72-Y80 HydrophobicContact CG2-CD2 3.79Å; I72-Y80 HydrophobicContact CG2-CE1 4.38Å; I72-Y80 HydrophobicContact CG2-CE2 4.32Å; I72-Y80 HydrophobicContact CG2-CG 3.53Å; I72-Y84 HydrophobicContact CG2-CE2 4.12Å
73V94.9Very high93.5Very high1 Ų136 Ų361%0.00618%0.181CC..Hα-helixtrans-70.2-36.7-175.5177.10000111.8I69 D70 R81 Y84 I118 F119I69-V73 HydrophobicContact CG2-CG2 4.04Å; I69-V73 WeakPolarHBondContact O-CB 3.48Å; I69-V73 WeakPolarHBondContact O-CG2 3.46Å; I69-V73 PolarHBondContact O-N 3.14Å; D70-V73 PolarHBondContact O-N 3.26Å; V73-R81 HydrophobicContact CG1-CG 3.58Å; V73-R81 PolarHBondContact O-NE 3.09Å; V73-R81 PolarHBondContact O-NH2 3.13Å; V73-Y84 HydrophobicContact CG2-CD2 3.28Å; V73-Y84 HydrophobicContact CG2-CE2 3.76Å; V73-Y84 HydrophobicContact CG2-CG 3.98Å; V73-I118 HydrophobicContact CG1-CG2 3.29Å; V73-F119 HydrophobicContact CG1-CE1 4.04Å; V73-F119 HydrophobicContact CG1-CE2 4.34Å; V73-F119 HydrophobicContact CG1-CZ 3.73Å; V73-F119 HydrophobicContact CG2-CZ 4.24Å
74K93.4Very high93.7Very high67 Ų6735.1 Ų35.129%0.29118%0.177SC..Hα-helixtrans-67.5-59.5172.7-78.2171.1178.6160.10111.6D70 R81 T114 I118D70-K74 VanDerWaalsContact O-CB 3.29Å; D70-K74 WeakPolarHBondContact O-CB 3.19Å; D70-K74 WeakPolarHBondContact O-CG 3.49Å; D70-K74 PolarHBondContact O-N 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.35Å; D70-K74 IonicContact OD1-NZ 2.72Å; D70-K74 PolarHBondContact OD1-NZ 2.97Å; D70-K74 WeakPolarHBondContact OD2-CD 3.32Å; D70-K74 WeakPolarHBondContact OD2-CE 3.25Å; D70-K74 IonicContact OD2-NZ 4Å; D70-K74 PolarHBondContact OD2-NZ 3.01Å; K74-R81 PolarHBondContact O-NH2 2.97Å; K74-T114 PolarHBondContact NZ-OG1 3.34Å; K74-I118 HydrophobicContact CD-CD1 4.27Å; K74-I118 HydrophobicContact CG-CD1 3.52Å
75N93.7Very high93.7Very high111 Ų11135.7 Ų35.759%0.59418%0.181SC*.Hα-helixtrans-82.9-32.7-164.8-62-46000114.3T30 S71T30-N75 HydrophobicContact CG2-CB 3.86Å; S71-N75 VanDerWaalsContact O-CB 3.24Å; S71-N75 WeakPolarHBondContact O-CB 3.46Å; S71-N75 PolarHBondContact O-N 3.09Å; S71-N75 PolarHBondContact O-ND2 3.46Å; S71-N75 PolarHBondContact OG-ND2 3.32Å
76V92.5Very high93.6Very high22 Ų2239.4 Ų39.413%0.13320%0.203CC..THydrogen-bonded Turntrans-96.4-34.1-179.3-167.60000111.6T30 R34 K37 I72 T78 Y80T30-V76 HydrophobicContact CG2-CG2 4.12Å; R34-V76 HydrophobicContact CB-CG1 4.21Å; R34-V76 HydrophobicContact CB-CG2 3.84Å; R34-V76 HydrophobicContact CG-CG1 4.36Å; R34-V76 HydrophobicContact CG-CG2 4.44Å; K37-V76 HydrophobicContact CB-CG1 4.48Å; K37-V76 HydrophobicContact CD-CG1 4.39Å; I72-V76 HydrophobicContact CG2-CG2 4.41Å; I72-V76 WeakPolarHBondContact O-CA 3.42Å; I72-V76 VanDerWaalsContact O-CB 3.29Å; I72-V76 WeakPolarHBondContact O-CB 3.35Å; I72-V76 PolarHBondContact O-N 2.97Å; V76-T78 PolarHBondContact O-N 3.33Å; V76-Y80 HydrophobicContact CB-CD2 4Å; V76-Y80 HydrophobicContact CB-CE2 4.37Å; V76-Y80 HydrophobicContact CG1-CD2 3.69Å; V76-Y80 HydrophobicContact CG1-CE2 3.74Å
77G89.5Confident93.5Very high9 Ų942.1 Ų42.19%0.09322%0.218CC..  trans72.9-111.2175.900000112.9I72 Y80 R81I72-G77 PolarHBondContact O-N 3.09Å; G77-Y80 PolarHBondContact O-N 3.4Å; G77-R81 PolarHBondContact O-N 3.27Å
78T89Confident93.5Very high95 Ų9539.7 Ų39.758%0.58321%0.208SC*.THydrogen-bonded Turntrans-88140.1177.947.30000111.4V76V76-T78 PolarHBondContact O-N 3.33Å
79P92.3Very high93.5Very high42 Ų4239.7 Ų39.727%0.27321%0.208SC..THydrogen-bonded Turncis-78.9-25.810.130.5-35.6000114.7A43 R81 K82 L83A43-P79 HydrophobicContact CB-CG 3.77Å; P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 3.29Å; P79-R81 VanDerWaalsContact O-N 3.07Å; P79-K82 WeakPolarHBondContact O-CB 3.5Å; P79-K82 PolarHBondContact O-N 3.48Å; P79-L83 HydrophobicContact CB-CD1 4.45Å
80Y94.9Very high93.4Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-46.6-43.6-167.7-62.5-73000115.9A33 K37 A43 I46 V47 I72 V76 G77 K82 L83 Y84A33-Y80 HydrophobicContact CB-CE2 4.23Å; A33-Y80 VanDerWaalsContact O-CE2 3.24Å; A33-Y80 WeakPolarHBondContact O-CE2 3.46Å; A33-Y80 PolarHBondContact O-OH 3.42Å; K37-Y80 HydrophobicContact CB-CE2 3.91Å; A43-Y80 HydrophobicContact CB-CE1 4.04Å; A43-Y80 WeakPolarHBondContact O-CE1 2.89Å; I46-Y80 HydrophobicContact CB-CE1 4.23Å; I46-Y80 HydrophobicContact CG2-CE1 3.8Å; V47-Y80 HydrophobicContact CG2-CD1 3.79Å; V47-Y80 HydrophobicContact CG2-CE1 4.29Å; I72-Y80 HydrophobicContact CG2-CD1 3.86Å; I72-Y80 HydrophobicContact CG2-CD2 3.79Å; I72-Y80 HydrophobicContact CG2-CE1 4.38Å; I72-Y80 HydrophobicContact CG2-CE2 4.32Å; I72-Y80 HydrophobicContact CG2-CG 3.53Å; V76-Y80 HydrophobicContact CB-CD2 4Å; V76-Y80 HydrophobicContact CB-CE2 4.37Å; V76-Y80 HydrophobicContact CG1-CD2 3.69Å; V76-Y80 HydrophobicContact CG1-CE2 3.74Å; G77-Y80 PolarHBondContact O-N 3.4Å; Y80-K82 PolarHBondContact O-N 3.18Å; Y80-L83 PolarHBondContact O-N 3.13Å; Y80-Y84 HydrophobicContact CD1-CE2 4.05Å; Y80-Y84 HydrophobicContact CG-CE2 4.41Å; Y80-Y84 VanDerWaalsContact O-CD2 3.31Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.37Å; Y80-Y84 PolarHBondContact O-N 3.44Å
81R93.2Very high93.4Very high85 Ų8542.3 Ų42.332%0.32122%0.223SC..Hα-helixtrans-50.1-42.6174.9-82.2178.4-165.7-169.613.3112.7V73 K74 G77 P79 T85 I118V73-R81 HydrophobicContact CG1-CG 3.58Å; V73-R81 PolarHBondContact O-NE 3.09Å; V73-R81 PolarHBondContact O-NH2 3.13Å; K74-R81 PolarHBondContact O-NH2 2.97Å; G77-R81 PolarHBondContact O-N 3.27Å; P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 3.29Å; P79-R81 VanDerWaalsContact O-N 3.07Å; R81-T85 WeakPolarHBondContact O-CB 3.21Å; R81-T85 PolarHBondContact O-N 3.29Å; R81-T85 PolarHBondContact O-OG1 3.07Å; R81-I118 HydrophobicContact CG-CG2 4.37Å
82K92.2Very high93.4Very high159 Ų15941.8 Ų41.869%0.69122%0.219SC*.Hα-helixtrans-71.2-37.6179.3-67.5-175.1177.4-179.10112.4P79 Y80P79-K82 WeakPolarHBondContact O-CB 3.5Å; P79-K82 PolarHBondContact O-N 3.48Å; Y80-K82 PolarHBondContact O-N 3.18Å
83L93.9Very high93.3Very high40 Ų4042.2 Ų42.221%0.20922%0.221CC..Hα-helixtrans-71.9-56.4-176.8-53.6-175.6000110.2V47 P79 Y80 T85 V86V47-L83 HydrophobicContact CB-CB 4.5Å; V47-L83 HydrophobicContact CG1-CB 4.27Å; V47-L83 HydrophobicContact CG2-CB 3.88Å; V47-L83 HydrophobicContact CG2-CD1 4.01Å; P79-L83 HydrophobicContact CB-CD1 4.45Å; Y80-L83 PolarHBondContact O-N 3.13Å; L83-T85 PolarHBondContact O-N 3.49Å; L83-T85 VanDerWaalsContact O-N 3.09Å; L83-V86 PolarHBondContact O-N 2.81Å
84Y95.4Very high93.2Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-60.4-23.5177.1-70-69.4000113.5V47 T50 L51 I69 I72 V73 Y80 V86 D87 I88V47-Y84 HydrophobicContact CB-CE1 4.26Å; V47-Y84 HydrophobicContact CG1-CD1 3.88Å; V47-Y84 HydrophobicContact CG1-CE1 3.88Å; V47-Y84 HydrophobicContact CG1-CG 4.4Å; V47-Y84 HydrophobicContact CG2-CD1 4.4Å; V47-Y84 HydrophobicContact CG2-CD2 4.11Å; V47-Y84 HydrophobicContact CG2-CE1 4.06Å; V47-Y84 HydrophobicContact CG2-CE2 3.78Å; V47-Y84 HydrophobicContact CG2-CG 4.44Å; T50-Y84 WeakPolarHBondContact OG1-CE1 3.44Å; T50-Y84 PolarHBondContact OG1-OH 3.07Å; L51-Y84 HydrophobicContact CD2-CD1 4.11Å; L51-Y84 HydrophobicContact CD2-CE1 4.36Å; L51-Y84 HydrophobicContact CG-CD1 4.42Å; L51-Y84 HydrophobicContact CG-CE1 4.36Å; I69-Y84 HydrophobicContact CB-CE1 4.32Å; I69-Y84 HydrophobicContact CD1-CD1 4.39Å; I69-Y84 HydrophobicContact CD1-CE1 3.94Å; I69-Y84 HydrophobicContact CG1-CD1 4.4Å; I69-Y84 HydrophobicContact CG1-CE1 3.69Å; I69-Y84 HydrophobicContact CG2-CD1 3.81Å; I69-Y84 HydrophobicContact CG2-CD2 4.35Å; I69-Y84 HydrophobicContact CG2-CE1 3.83Å; I69-Y84 HydrophobicContact CG2-CE2 4.34Å; I69-Y84 HydrophobicContact CG2-CG 4.08Å; I72-Y84 HydrophobicContact CG2-CE2 4.12Å; V73-Y84 HydrophobicContact CG2-CD2 3.28Å; V73-Y84 HydrophobicContact CG2-CE2 3.76Å; V73-Y84 HydrophobicContact CG2-CG 3.98Å; Y80-Y84 HydrophobicContact CD1-CE2 4.05Å; Y80-Y84 HydrophobicContact CG-CE2 4.41Å; Y80-Y84 VanDerWaalsContact O-CD2 3.31Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.37Å; Y80-Y84 PolarHBondContact O-N 3.44Å; Y84-V86 PolarHBondContact O-N 3.3Å; Y84-D87 PolarHBondContact O-N 2.96Å; Y84-I88 WeakPolarHBondContact O-CB 3.43Å; Y84-I88 WeakPolarHBondContact O-CG2 3.43Å; Y84-I88 PolarHBondContact O-N 3.03Å
85T92.6Very high93.3Very high29 Ų2942.1 Ų42.118%0.17822%0.222CC..THydrogen-bonded Turntrans-57.9-20.2174.4-67.80000113.1R81 L83 F119 P120 R123R81-T85 WeakPolarHBondContact O-CB 3.21Å; R81-T85 PolarHBondContact O-N 3.29Å; R81-T85 PolarHBondContact O-OG1 3.07Å; L83-T85 PolarHBondContact O-N 3.49Å; L83-T85 VanDerWaalsContact O-N 3.09Å; T85-F119 WeakPolarHBondContact OG1-CD1 3.4Å; T85-P120 HydrophobicContact CG2-CG 4.02Å; T85-R123 HydrophobicContact CG2-CG 4.15Å; T85-R123 PolarHBondContact O-NE 2.94Å; T85-R123 PolarHBondContact O-NH2 2.85Å
86V91.9Very high93.3Very high80 Ų8036.9 Ų36.949%0.48519%0.194SC..THydrogen-bonded Turntrans-73.2-54.1178.2-177.10000111.2L83 Y84 R123L83-V86 PolarHBondContact O-N 2.81Å; Y84-V86 PolarHBondContact O-N 3.3Å; V86-R123 PolarHBondContact O-NH1 3.29Å; V86-R123 PolarHBondContact O-NH2 3.3Å
87D93.1Very high93.2Very high58 Ų5840.6 Ų40.631%0.3121%0.209SC..THydrogen-bonded Turntrans-108.4-5.3-165.4-43.8-83000114.6L51 Y84 V89 D90 V91L51-D87 HydrophobicContact CD1-CB 3.81Å; L51-D87 HydrophobicContact CD2-CB 4.03Å; Y84-D87 PolarHBondContact O-N 2.96Å; D87-V89 PolarHBondContact O-N 3.1Å; D87-V89 VanDerWaalsContact O-N 3.16Å; D87-D90 PolarHBondContact O-N 2.96Å; D87-V91 PolarHBondContact O-N 2.95Å; D87-V91 VanDerWaalsContact O-N 3.1Å
88I94.5Very high93.3Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-58.1-31.9-175-169.663000113.5I69 Y84 F92 W115 F119 M124I69-I88 HydrophobicContact CG2-CD1 4.24Å; Y84-I88 WeakPolarHBondContact O-CB 3.43Å; Y84-I88 WeakPolarHBondContact O-CG2 3.43Å; Y84-I88 PolarHBondContact O-N 3.03Å; I88-F92 WeakPolarHBondContact O-CB 3.26Å; I88-F92 PolarHBondContact O-N 2.96Å; I88-W115 HydrophobicContact CD1-CH2 3.63Å; I88-W115 HydrophobicContact CD1-CZ2 4.39Å; I88-W115 HydrophobicContact CD1-CZ3 3.8Å; I88-W115 HydrophobicContact CG1-CE3 4.31Å; I88-W115 HydrophobicContact CG1-CH2 4.1Å; I88-W115 HydrophobicContact CG1-CZ3 3.71Å; I88-F119 HydrophobicContact CB-CZ 4.34Å; I88-F119 HydrophobicContact CD1-CE2 4.29Å; I88-F119 HydrophobicContact CD1-CZ 4.31Å; I88-F119 HydrophobicContact CG1-CD2 4.4Å; I88-F119 HydrophobicContact CG1-CE2 3.78Å; I88-F119 HydrophobicContact CG1-CZ 3.95Å; I88-F119 HydrophobicContact CG2-CE1 4.48Å; I88-F119 HydrophobicContact CG2-CZ 4.47Å; I88-M124 HydrophobicContact CG2-CE 4.36Å
89V94.2Very high93.4Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-62.4-54.3178.2179.20000109.9D87 F92 V93 R123 E126 L127D87-V89 PolarHBondContact O-N 3.1Å; D87-V89 VanDerWaalsContact O-N 3.16Å; V89-F92 PolarHBondContact O-N 3.01Å; V89-V93 WeakPolarHBondContact O-CB 3.38Å; V89-V93 VanDerWaalsContact O-CG2 3.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.44Å; V89-V93 PolarHBondContact O-N 2.98Å; V89-R123 HydrophobicContact CG2-CB 4.34Å; V89-E126 HydrophobicContact CG1-CG 4.16Å; V89-L127 HydrophobicContact CG1-CB 4.4Å; V89-L127 HydrophobicContact CG2-CB 4.4Å
90D94.6Very high93.1Very high78 Ų7845.7 Ų45.742%0.41722%0.215SC..Hα-helixtrans-74.4-34.3-171.2-51.1-46.8000111.3D87 H94 R130D87-D90 PolarHBondContact O-N 2.96Å; D90-H94 WeakPolarHBondContact O-CB 3.48Å; D90-H94 PolarHBondContact O-N 3.38Å; D90-R130 IonicContact OD1-NH1 2.7Å; D90-R130 PolarHBondContact OD1-NH1 2.93Å
91V94.6Very high92.8Very high1 Ų150.8 Ų50.81%0.00624%0.243CC..Hα-helixtrans-70.1-34173.5172.20000112.6L51 V54 Q55 L66 D87 S95L51-V91 HydrophobicContact CD2-CB 4.27Å; L51-V91 HydrophobicContact CD2-CG1 4.45Å; L51-V91 HydrophobicContact CD2-CG2 3.71Å; V54-V91 HydrophobicContact CB-CG1 3.9Å; V54-V91 HydrophobicContact CG1-CG1 3.48Å; V54-V91 VanDerWaalsContact CG1-CG1 3.48Å; Q55-V91 HydrophobicContact CG-CG2 4.44Å; L66-V91 HydrophobicContact CD2-CG1 4.24Å; D87-V91 PolarHBondContact O-N 2.95Å; D87-V91 VanDerWaalsContact O-N 3.1Å; V91-S95 WeakPolarHBondContact O-CB 3.38Å; V91-S95 PolarHBondContact O-N 3.4Å; V91-S95 VanDerWaalsContact O-N 3.12Å; V91-S95 PolarHBondContact O-OG 2.9Å
92F95Very high92.5Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-68.8-47.3172.5-169.8-84.8000111.3I88 V89 S95 F96 L108 R112 W115 L127 V131 W138I88-F92 WeakPolarHBondContact O-CB 3.26Å; I88-F92 PolarHBondContact O-N 2.96Å; V89-F92 PolarHBondContact O-N 3.01Å; F92-S95 WeakPolarHBondContact O-CB 3.34Å; F92-S95 PolarHBondContact O-N 3.22Å; F92-S95 VanDerWaalsContact O-N 3.14Å; F92-F96 PolarHBondContact O-N 3.42Å; F92-L108 HydrophobicContact CE2-CB 4.31Å; F92-L108 HydrophobicContact CE2-CD2 4.22Å; F92-L108 HydrophobicContact CZ-CB 3.86Å; F92-L108 HydrophobicContact CZ-CD2 4.47Å; F92-L108 WeakPolarHBondContact CZ-O 3.33Å; F92-R112 HydrophobicContact CE2-CB 4.3Å; F92-R112 HydrophobicContact CZ-CB 4.02Å; F92-R112 HydrophobicContact CZ-CG 4.42Å; F92-W115 AromaticContact CD2-CH2 3.76Å; F92-W115 HydrophobicContact CD2-CH2 3.76Å; F92-W115 AromaticContact CD2-CZ3 3.56Å; F92-W115 HydrophobicContact CD2-CZ3 3.56Å; F92-W115 HydrophobicContact CE2-CH2 4.24Å; F92-W115 HydrophobicContact CE2-CZ3 4.05Å; F92-W115 HydrophobicContact CG-CZ3 4.4Å; F92-L127 HydrophobicContact CB-CD1 3.87Å; F92-L127 HydrophobicContact CB-CG 4.36Å; F92-L127 HydrophobicContact CD1-CD1 4.05Å; F92-L127 HydrophobicContact CD1-CD2 3.71Å; F92-L127 HydrophobicContact CD1-CG 3.94Å; F92-L127 HydrophobicContact CD2-CD1 4.33Å; F92-L127 HydrophobicContact CE1-CD2 3.81Å; F92-L127 HydrophobicContact CG-CD1 3.83Å; F92-L127 HydrophobicContact CG-CD2 4.32Å; F92-L127 HydrophobicContact CG-CG 4.23Å; F92-L127 HydrophobicContact CZ-CD2 4.47Å; F92-V131 HydrophobicContact CD1-CG2 3.83Å; F92-V131 HydrophobicContact CE1-CG2 3.83Å; F92-W138 AromaticContact CE1-CH2 3.99Å; F92-W138 HydrophobicContact CE1-CH2 3.99Å; F92-W138 AromaticContact CE1-CZ2 3.97Å; F92-W138 HydrophobicContact CE1-CZ2 3.97Å; F92-W138 AromaticContact CZ-CH2 3.94Å; F92-W138 HydrophobicContact CZ-CH2 3.94Å; F92-W138 HydrophobicContact CZ-CZ2 4.1Å
93V93.9Very high92.4Very high10 Ų1053.7 Ų53.76%0.06126%0.26CS..Hα-helixtrans-60.9-46.4178.6170.80000111.3V89 S95 F96 Q97 R130 V131V89-V93 WeakPolarHBondContact O-CB 3.38Å; V89-V93 VanDerWaalsContact O-CG2 3.25Å; V89-V93 WeakPolarHBondContact O-CG2 3.44Å; V89-V93 PolarHBondContact O-N 2.98Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 3.03Å; V93-F96 PolarHBondContact O-N 3.12Å; V93-F96 VanDerWaalsContact O-N 3.14Å; V93-Q97 WeakPolarHBondContact O-CG 3.48Å; V93-Q97 PolarHBondContact O-N 3.11Å; V93-R130 HydrophobicContact CG1-CB 4.49Å; V93-R130 HydrophobicContact CG2-CB 3.54Å; V93-V131 HydrophobicContact CG2-CG2 4.15Å
94H93.6Very high92.2Very high66 Ų6652.3 Ų52.331%0.30626%0.255SS..Hα-helixtrans-59.3-38174.3176.5-105000112.6Q55 D90 S98Q55-H94 PolarHBondContact O-CE1 3.25Å; D90-H94 WeakPolarHBondContact O-CB 3.48Å; D90-H94 PolarHBondContact O-N 3.38Å; H94-S98 WeakPolarHBondContact O-CB 3.38Å; H94-S98 PolarHBondContact O-N 3.41Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 2.72Å
95S93.8Very high92Very high0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-69.1-37.9175.5-58.70000112.2V54 V91 F92 V93 S98 I99V54-S95 WeakPolarHBondContact CG1-OG 3.39Å; V91-S95 WeakPolarHBondContact O-CB 3.38Å; V91-S95 PolarHBondContact O-N 3.4Å; V91-S95 VanDerWaalsContact O-N 3.12Å; V91-S95 PolarHBondContact O-OG 2.9Å; F92-S95 WeakPolarHBondContact O-CB 3.34Å; F92-S95 PolarHBondContact O-N 3.22Å; F92-S95 VanDerWaalsContact O-N 3.14Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 3.03Å; S95-S98 PolarHBondContact O-N 2.87Å; S95-I99 WeakPolarHBondContact O-CB 3.37Å; S95-I99 WeakPolarHBondContact O-CG1 3.41Å; S95-I99 PolarHBondContact O-N 3.14Å
96F93.5Very high92Very high1 Ų158.3 Ų58.30%0.00428%0.281CS..Hα-helixtrans-67.1-43.1175.7-174.7-91.4000112.6F92 V93 S98 I99 R105 L108 V131 H134 D135 W138F92-F96 PolarHBondContact O-N 3.42Å; V93-F96 PolarHBondContact O-N 3.12Å; V93-F96 VanDerWaalsContact O-N 3.14Å; F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 3.14Å; F96-I99 PolarHBondContact O-N 3.12Å; F96-R105 HydrophobicContact CD2-CG 4.44Å; F96-R105 HydrophobicContact CE2-CB 4.28Å; F96-R105 HydrophobicContact CE2-CG 3.93Å; F96-R105 HydrophobicContact CZ-CG 4.44Å; F96-L108 HydrophobicContact CB-CD1 4.09Å; F96-L108 HydrophobicContact CD2-CD1 3.89Å; F96-L108 HydrophobicContact CG-CD1 4.45Å; F96-V131 HydrophobicContact CD1-CG1 3.88Å; F96-V131 HydrophobicContact CD2-CG1 3.87Å; F96-V131 HydrophobicContact CE1-CG1 3.79Å; F96-V131 HydrophobicContact CE2-CG1 3.78Å; F96-V131 HydrophobicContact CG-CG1 3.93Å; F96-V131 HydrophobicContact CZ-CG1 3.75Å; F96-H134 HydrophobicContact CD1-CB 4.34Å; F96-H134 HydrophobicContact CE1-CB 4.14Å; F96-D135 HydrophobicContact CE1-CB 3.78Å; F96-D135 HydrophobicContact CZ-CB 3.59Å; F96-W138 HydrophobicContact CD2-CZ3 4.15Å; F96-W138 AromaticContact CE2-CE3 3.9Å; F96-W138 HydrophobicContact CE2-CE3 3.9Å; F96-W138 AromaticContact CE2-CZ3 3.67Å; F96-W138 HydrophobicContact CE2-CZ3 3.67Å; F96-W138 HydrophobicContact CZ-CE3 4.38Å
97Q92.2Very high92.1Very high99 Ų9959.5 Ų59.546%0.46328%0.28SS..Hα-helixtrans-60.9-36.2172.8-69.5174.79.400112.3V93 H134V93-Q97 WeakPolarHBondContact O-CG 3.48Å; V93-Q97 PolarHBondContact O-N 3.11Å; Q97-H134 PolarHBondContact NE2-CE1 2.96Å; Q97-H134 PolarHBondContact NE2-NE2 3.32Å
98S91.2Very high92.1Very high34 Ų3456.8 Ų56.824%0.23827%0.265CS..Hα-helixtrans-73.8-40.1179.5-61.50000112.9A59 K62 H94 S95 F96 R100A59-S98 WeakPolarHBondContact CB-O 3.5Å; K62-S98 WeakPolarHBondContact CE-OG 3.43Å; H94-S98 WeakPolarHBondContact O-CB 3.38Å; H94-S98 PolarHBondContact O-N 3.41Å; H94-S98 VanDerWaalsContact O-N 3.11Å; H94-S98 PolarHBondContact O-OG 2.72Å; S95-S98 PolarHBondContact O-N 2.87Å; F96-S98 VanDerWaalsContact C-N 3.26Å; F96-S98 PolarHBondContact O-N 3.14Å; S98-R100 PolarHBondContact O-N 2.96Å
99I91.4Very high92Very high7 Ų760 Ų604%0.03628%0.278CS..  trans-86.596.5-176.1-67.1169.4000109.3A59 K62 L63 S95 F96 R105 L108A59-I99 WeakPolarHBondContact O-CG1 3.42Å; K62-I99 HydrophobicContact CB-CD1 4.23Å; L63-I99 HydrophobicContact CB-CD1 4.34Å; S95-I99 WeakPolarHBondContact O-CB 3.37Å; S95-I99 WeakPolarHBondContact O-CG1 3.41Å; S95-I99 PolarHBondContact O-N 3.14Å; F96-I99 PolarHBondContact O-N 3.12Å; I99-R105 PolarHBondContact O-NE 3.34Å; I99-L108 HydrophobicContact CB-CD1 4.31Å; I99-L108 HydrophobicContact CD1-CD1 4.1Å; I99-L108 HydrophobicContact CD1-CD2 4.44Å; I99-L108 HydrophobicContact CD1-CG 4.43Å
100R86.3Confident92Very high212 Ų21264 Ų6480%0.830%0.299SS*.  trans-82.6-15.3177.4-62.4-173.4177.6-160.8-1.7113.5S98S98-R100 PolarHBondContact O-N 2.96Å
101D87Confident91.9Very high107 Ų10760.7 Ų60.757%0.57228%0.281SS*.  trans-76.2127.7-178.4-50.7-52.1000111.5K103 G104 R105D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 3.36Å; D101-G104 CarbonylContact O-C 3.54Å; D101-G104 VanDerWaalsContact O-CA 3.29Å; D101-G104 WeakPolarHBondContact O-CA 3.48Å; D101-G104 PolarHBondContact O-N 3.1Å; D101-R105 PolarHBondContact O-N 2.95Å
102E88.3Confident91.9Very high125 Ų12560.9 Ų60.958%0.58428%0.282SS*.Hα-helixtrans-60.7-39.2179.6-169.649.3-133.700112.3G104 R105 L106E102-G104 PolarHBondContact O-N 3.32Å; E102-G104 VanDerWaalsContact O-N 3.15Å; E102-R105 PolarHBondContact O-N 3.3Å; E102-R105 VanDerWaalsContact O-N 3.16Å; E102-L106 PolarHBondContact O-N 2.89Å
103K89.7Confident91.7Very high181 Ų18163.3 Ų63.379%0.78730%0.297SS*.Hα-helixtrans-62.2-20.7172.1-65.3-178.1-179.6178.10113.3D101 K107D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 3.36Å; K103-K107 WeakPolarHBondContact O-CD 3.34Å; K103-K107 WeakPolarHBondContact O-CG 3.23Å
104G89.9Confident91.6Very high11 Ų1165.6 Ų65.611%0.11331%0.311CS..Hα-helixtrans-85.8-43.3172.500000112.1D101 E102 L106 K107 L108D101-G104 CarbonylContact O-C 3.54Å; D101-G104 VanDerWaalsContact O-CA 3.29Å; D101-G104 WeakPolarHBondContact O-CA 3.48Å; D101-G104 PolarHBondContact O-N 3.1Å; E102-G104 PolarHBondContact O-N 3.32Å; E102-G104 VanDerWaalsContact O-N 3.15Å; G104-L106 PolarHBondContact O-N 3.32Å; G104-K107 WeakPolarHBondContact O-CA 3.44Å; G104-K107 WeakPolarHBondContact O-CB 3.45Å; G104-K107 PolarHBondContact O-N 2.93Å; G104-K107 VanDerWaalsContact O-N 3.07Å; G104-L108 PolarHBondContact O-N 3.23Å
105R91.5Very high91.6Very high61 Ų6162.5 Ų62.523%0.2330%0.297CS..Hα-helixtrans-59.5-44.2175-68.8177.8171.1-157.4-6.6112.6F96 I99 D101 E102 K107 L108 Y109 D135F96-R105 HydrophobicContact CD2-CG 4.44Å; F96-R105 HydrophobicContact CE2-CB 4.28Å; F96-R105 HydrophobicContact CE2-CG 3.93Å; F96-R105 HydrophobicContact CZ-CG 4.44Å; I99-R105 PolarHBondContact O-NE 3.34Å; D101-R105 PolarHBondContact O-N 2.95Å; E102-R105 PolarHBondContact O-N 3.3Å; E102-R105 VanDerWaalsContact O-N 3.16Å; R105-K107 VanDerWaalsContact C-N 3.25Å; R105-K107 PolarHBondContact O-N 2.89Å; R105-L108 WeakPolarHBondContact O-CB 3.34Å; R105-L108 PolarHBondContact O-N 3.18Å; R105-L108 VanDerWaalsContact O-N 3.1Å; R105-Y109 PolarHBondContact O-N 3.31Å; R105-D135 IonicContact NH1-OD2 2.65Å; R105-D135 PolarHBondContact NH1-OD2 3.16Å
106L91.8Very high91.2Very high94 Ų9469.2 Ų69.249%0.49233%0.326SS..Hα-helixtrans-60.1-34.1173.5-176.460.5000112.5E102 G104 Y109 N110E102-L106 PolarHBondContact O-N 2.89Å; G104-L106 PolarHBondContact O-N 3.32Å; L106-Y109 HydrophobicContact CD1-CD1 4.33Å; L106-N110 WeakPolarHBondContact O-CB 3.3Å; L106-N110 PolarHBondContact O-N 3.3Å; L106-N110 PolarHBondContact O-ND2 2.96Å
107K92.9Very high90.9Very high105 Ų10573.4 Ų73.446%0.45735%0.348SS..Hα-helixtrans-73-36.1174.2-69.3175.5-171.2179.70112.5L63 K103 G104 R105 L111L63-K107 HydrophobicContact CD1-CB 4.26Å; L63-K107 HydrophobicContact CD2-CB 3.71Å; L63-K107 HydrophobicContact CD2-CD 3.55Å; L63-K107 HydrophobicContact CD2-CG 4.27Å; K103-K107 WeakPolarHBondContact O-CD 3.34Å; K103-K107 WeakPolarHBondContact O-CG 3.23Å; G104-K107 WeakPolarHBondContact O-CA 3.44Å; G104-K107 WeakPolarHBondContact O-CB 3.45Å; G104-K107 PolarHBondContact O-N 2.93Å; G104-K107 VanDerWaalsContact O-N 3.07Å; R105-K107 VanDerWaalsContact C-N 3.25Å; R105-K107 PolarHBondContact O-N 2.89Å; K107-L111 WeakPolarHBondContact O-CB 3.44Å; K107-L111 PolarHBondContact O-N 2.95Å
108L93.5Very high90.8Very high0 Ų070 Ų700%033%0.333CS..Hα-helixtrans-63.8-44171.2-69.6174.7000111.3L63 L66 F92 F96 I99 G104 R105 L111 R112L63-L108 HydrophobicContact CD1-CD2 3.89Å; L63-L108 HydrophobicContact CD1-CG 4.45Å; L66-L108 HydrophobicContact CD1-CD2 3.44Å; L66-L108 VanDerWaalsContact CD1-CD2 3.44Å; F92-L108 HydrophobicContact CE2-CB 4.31Å; F92-L108 HydrophobicContact CE2-CD2 4.22Å; F92-L108 HydrophobicContact CZ-CB 3.86Å; F92-L108 HydrophobicContact CZ-CD2 4.47Å; F92-L108 WeakPolarHBondContact CZ-O 3.33Å; F96-L108 HydrophobicContact CB-CD1 4.09Å; F96-L108 HydrophobicContact CD2-CD1 3.89Å; F96-L108 HydrophobicContact CG-CD1 4.45Å; I99-L108 HydrophobicContact CB-CD1 4.31Å; I99-L108 HydrophobicContact CD1-CD1 4.1Å; I99-L108 HydrophobicContact CD1-CD2 4.44Å; I99-L108 HydrophobicContact CD1-CG 4.43Å; G104-L108 PolarHBondContact O-N 3.23Å; R105-L108 WeakPolarHBondContact O-CB 3.34Å; R105-L108 PolarHBondContact O-N 3.18Å; R105-L108 VanDerWaalsContact O-N 3.1Å; L108-L111 WeakPolarHBondContact O-CB 3.45Å; L108-L111 PolarHBondContact O-N 3.37Å; L108-R112 PolarHBondContact O-N 2.9Å
109Y93.4Very high90.8Very high69 Ų6968.9 Ų68.927%0.27132%0.324SS..Hα-helixtrans-57.8-53.7173.9173.6-104.3000111.3R105 L106 L111 R112 T113 W138 P139 L141R105-Y109 PolarHBondContact O-N 3.31Å; L106-Y109 HydrophobicContact CD1-CD1 4.33Å; Y109-L111 VanDerWaalsContact C-N 3.28Å; Y109-L111 PolarHBondContact O-N 3.04Å; Y109-R112 WeakPolarHBondContact O-CB 3.5Å; Y109-R112 PolarHBondContact O-N 3.37Å; Y109-R112 VanDerWaalsContact O-N 3.1Å; Y109-T113 HydrophobicContact CE1-CG2 4.08Å; Y109-T113 HydrophobicContact CE2-CG2 4.39Å; Y109-T113 WeakPolarHBondContact O-CG2 3.21Å; Y109-T113 PolarHBondContact O-N 3.1Å; Y109-W138 VanDerWaalsContact CA-CH2 3.48Å; Y109-W138 HydrophobicContact CD2-CH2 4.23Å; Y109-W138 HydrophobicContact CD2-CZ2 4.36Å; Y109-W138 HydrophobicContact CD2-CZ3 4.34Å; Y109-P139 HydrophobicContact CD2-CG 4.3Å; Y109-P139 HydrophobicContact CE2-CG 3.51Å; Y109-L141 HydrophobicContact CD2-CD1 4.31Å; Y109-L141 HydrophobicContact CE2-CD1 3.57Å; Y109-L141 HydrophobicContact CE2-CG 4.22Å
110N93.5Very high90.9Very high82 Ų8271.8 Ų71.844%0.43934%0.343SS..Hα-helixtrans-56.5-42.2177.1-72.4-20.6000111.6L106 T113L106-N110 WeakPolarHBondContact O-CB 3.3Å; L106-N110 PolarHBondContact O-N 3.3Å; L106-N110 PolarHBondContact O-ND2 2.96Å; N110-T113 PolarHBondContact O-N 3.27Å; N110-T113 PolarHBondContact O-OG1 2.85Å
111L93.8Very high91Very high10 Ų1065 Ų655%0.05232%0.323CS..Hα-helixtrans-59-50174.8-175.161.9000111.8L66 Y67 D70 K107 L108 Y109 T113 T114 W115L66-L111 HydrophobicContact CB-CD2 3.84Å; L66-L111 HydrophobicContact CD1-CD2 4.46Å; Y67-L111 HydrophobicContact CD1-CD1 4.1Å; Y67-L111 HydrophobicContact CD1-CD2 4.23Å; Y67-L111 HydrophobicContact CE1-CD1 4.2Å; Y67-L111 HydrophobicContact CE1-CD2 4.31Å; D70-L111 HydrophobicContact CB-CD1 3.89Å; K107-L111 WeakPolarHBondContact O-CB 3.44Å; K107-L111 PolarHBondContact O-N 2.95Å; L108-L111 WeakPolarHBondContact O-CB 3.45Å; L108-L111 PolarHBondContact O-N 3.37Å; Y109-L111 VanDerWaalsContact C-N 3.28Å; Y109-L111 PolarHBondContact O-N 3.04Å; L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 2.91Å; L111-T114 PolarHBondContact O-N 3.04Å; L111-T114 PolarHBondContact O-OG1 3.15Å; L111-W115 HydrophobicContact CD1-CZ2 4.21Å; L111-W115 HydrophobicContact CD2-CH2 4.19Å; L111-W115 HydrophobicContact CD2-CZ2 3.78Å; L111-W115 HydrophobicContact CG-CH2 4.38Å; L111-W115 HydrophobicContact CG-CZ2 3.72Å
112R93.2Very high91.2Very high4 Ų462.9 Ų62.92%0.01532%0.317CS..Hα-helixtrans-53.5-44.7176.3-165.9-53.2-162.4-169.2-1.6110.8F92 L108 Y109 T114 W115 M124 L127 D128 W138 L141F92-R112 HydrophobicContact CE2-CB 4.3Å; F92-R112 HydrophobicContact CZ-CB 4.02Å; F92-R112 HydrophobicContact CZ-CG 4.42Å; L108-R112 PolarHBondContact O-N 2.9Å; Y109-R112 WeakPolarHBondContact O-CB 3.5Å; Y109-R112 PolarHBondContact O-N 3.37Å; Y109-R112 VanDerWaalsContact O-N 3.1Å; R112-T114 PolarHBondContact O-N 2.84Å; R112-W115 PolarHBondContact O-N 3.44Å; R112-M124 PolarHBondContact NH2-O 3.1Å; R112-L127 HydrophobicContact CG-CD2 3.88Å; R112-D128 IonicContact CZ-OD1 3.44Å; R112-D128 IonicContact CZ-OD2 3.23Å; R112-D128 IonicContact NE-OD1 3.72Å; R112-D128 PolarHBondContact NE-OD1 3.2Å; R112-D128 IonicContact NE-OD2 3.33Å; R112-D128 VanDerWaalsContact NH2-CG 3.3Å; R112-D128 IonicContact NH2-OD1 3.72Å; R112-D128 PolarHBondContact NH2-OD1 2.82Å; R112-D128 IonicContact NH2-OD2 3.6Å; R112-D128 PolarHBondContact NH2-OD2 2.93Å; R112-W138 HydrophobicContact CB-CZ2 4.24Å; R112-W138 HydrophobicContact CG-CZ2 4.12Å; R112-L141 VanDerWaalsContact CZ-CB 3.46Å; R112-L141 VanDerWaalsContact NH2-C 3.34Å
113T92.2Very high91.3Very high52 Ų5259.8 Ų59.832%0.31930%0.3SS..Hα-helixtrans-54.5-30.6-179.370.30000113.2Y109 N110 L111 W115 L141Y109-T113 HydrophobicContact CE1-CG2 4.08Å; Y109-T113 HydrophobicContact CE2-CG2 4.39Å; Y109-T113 WeakPolarHBondContact O-CG2 3.21Å; Y109-T113 PolarHBondContact O-N 3.1Å; N110-T113 PolarHBondContact O-N 3.27Å; N110-T113 PolarHBondContact O-OG1 2.85Å; L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 2.91Å; T113-W115 VanDerWaalsContact C-N 3.33Å; T113-W115 PolarHBondContact O-N 3.37Å; T113-L141 HydrophobicContact CG2-CD1 3.9Å
114T91.1Very high91.5Very high58 Ų5851.2 Ų51.236%0.35626%0.262SS..THydrogen-bonded Turntrans-78-12.8-179.174.20000114.5K74 L111 R112 I118K74-T114 PolarHBondContact NZ-OG1 3.34Å; L111-T114 PolarHBondContact O-N 3.04Å; L111-T114 PolarHBondContact O-OG1 3.15Å; R112-T114 PolarHBondContact O-N 2.84Å; T114-I118 WeakPolarHBondContact O-CD1 3.47Å
115W92.7Very high91.6Very high1 Ų153.6 Ų53.60%0.00427%0.268CS..THydrogen-bonded Turntrans-90-5.8-174.1-67.9-6.1000115D70 I88 F92 L111 R112 T113 D117 I118 F119 M124 L127D70-W115 PolarHBondContact OD1-NE1 3.47Å; I88-W115 HydrophobicContact CD1-CH2 3.63Å; I88-W115 HydrophobicContact CD1-CZ2 4.39Å; I88-W115 HydrophobicContact CD1-CZ3 3.8Å; I88-W115 HydrophobicContact CG1-CE3 4.31Å; I88-W115 HydrophobicContact CG1-CH2 4.1Å; I88-W115 HydrophobicContact CG1-CZ3 3.71Å; F92-W115 AromaticContact CD2-CH2 3.76Å; F92-W115 HydrophobicContact CD2-CH2 3.76Å; F92-W115 AromaticContact CD2-CZ3 3.56Å; F92-W115 HydrophobicContact CD2-CZ3 3.56Å; F92-W115 HydrophobicContact CE2-CH2 4.24Å; F92-W115 HydrophobicContact CE2-CZ3 4.05Å; F92-W115 HydrophobicContact CG-CZ3 4.4Å; L111-W115 HydrophobicContact CD1-CZ2 4.21Å; L111-W115 HydrophobicContact CD2-CH2 4.19Å; L111-W115 HydrophobicContact CD2-CZ2 3.78Å; L111-W115 HydrophobicContact CG-CH2 4.38Å; L111-W115 HydrophobicContact CG-CZ2 3.72Å; R112-W115 PolarHBondContact O-N 3.44Å; T113-W115 VanDerWaalsContact C-N 3.33Å; T113-W115 PolarHBondContact O-N 3.37Å; W115-D117 PolarHBondContact O-N 3.02Å; W115-I118 PolarHBondContact O-N 3.06Å; W115-F119 HydrophobicContact CB-CD2 4.06Å; W115-F119 HydrophobicContact CD2-CD2 4.13Å; W115-F119 AromaticContact CD2-CE2 3.93Å; W115-F119 HydrophobicContact CD2-CE2 3.93Å; W115-F119 HydrophobicContact CE3-CD2 4.18Å; W115-F119 HydrophobicContact CE3-CE2 4.08Å; W115-F119 HydrophobicContact CG-CD2 4.11Å; W115-F119 HydrophobicContact CG-CE2 4.18Å; W115-F119 PolarHBondContact O-N 2.95Å; W115-M124 HydrophobicContact CB-SD 3.76Å; W115-M124 HydrophobicContact CE3-CE 4.36Å; W115-M124 HydrophobicContact CE3-SD 4.28Å; W115-L127 HydrophobicContact CE3-CD1 4.48Å; W115-L127 HydrophobicContact CZ3-CD1 4.25Å
116K86.5Confident91.7Very high140 Ų14053 Ų5361%0.60927%0.268SS*.THydrogen-bonded Turntrans-53.8-27.3-175.570.4-176.7-173.2-179.40115.6
117D87Confident91.8Very high89 Ų8948.5 Ų48.548%0.47625%0.245SC..THydrogen-bonded Turntrans-113.39.6-178.9-63.9-52.1000112.6W115 R420W115-D117 PolarHBondContact O-N 3.02Å; D117-R420 IonicContact OD1-CZ 3.44Å; D117-R420 IonicContact OD1-NH1 3.7Å; D117-R420 PolarHBondContact OD1-NH1 3.12Å; D117-R420 IonicContact OD1-NH2 3.62Å
118I89.6Confident91.8Very high29 Ų2943.5 Ų43.515%0.14922%0.223CC..THydrogen-bonded Turntrans-112.1-49.4-171.4-60.7-175.7000111.2V73 K74 R81 T114 W115V73-I118 HydrophobicContact CG1-CG2 3.29Å; K74-I118 HydrophobicContact CD-CD1 4.27Å; K74-I118 HydrophobicContact CG-CD1 3.52Å; R81-I118 HydrophobicContact CG-CG2 4.37Å; T114-I118 WeakPolarHBondContact O-CD1 3.47Å; W115-I118 PolarHBondContact O-N 3.06Å
119F92.7Very high91.8Very high9 Ų946.2 Ų46.24%0.03924%0.237CC..SBendtrans-105.3155.9177.8-66.7-61.1000111.2V73 T85 I88 W115 N121 M124V73-F119 HydrophobicContact CG1-CE1 4.04Å; V73-F119 HydrophobicContact CG1-CE2 4.34Å; V73-F119 HydrophobicContact CG1-CZ 3.73Å; V73-F119 HydrophobicContact CG2-CZ 4.24Å; T85-F119 WeakPolarHBondContact OG1-CD1 3.4Å; I88-F119 HydrophobicContact CB-CZ 4.34Å; I88-F119 HydrophobicContact CD1-CE2 4.29Å; I88-F119 HydrophobicContact CD1-CZ 4.31Å; I88-F119 HydrophobicContact CG1-CD2 4.4Å; I88-F119 HydrophobicContact CG1-CE2 3.78Å; I88-F119 HydrophobicContact CG1-CZ 3.95Å; I88-F119 HydrophobicContact CG2-CE1 4.48Å; I88-F119 HydrophobicContact CG2-CZ 4.47Å; W115-F119 HydrophobicContact CB-CD2 4.06Å; W115-F119 HydrophobicContact CD2-CD2 4.13Å; W115-F119 AromaticContact CD2-CE2 3.93Å; W115-F119 HydrophobicContact CD2-CE2 3.93Å; W115-F119 HydrophobicContact CE3-CD2 4.18Å; W115-F119 HydrophobicContact CE3-CE2 4.08Å; W115-F119 HydrophobicContact CG-CD2 4.11Å; W115-F119 HydrophobicContact CG-CE2 4.18Å; W115-F119 PolarHBondContact O-N 2.95Å; F119-N121 PolarHBondContact O-N 3.43Å; F119-M124 HydrophobicContact CB-CE 3.74Å; F119-M124 HydrophobicContact CB-CG 4.11Å; F119-M124 HydrophobicContact CB-SD 3.99Å; F119-M124 HydrophobicContact CD2-CE 3.8Å; F119-M124 HydrophobicContact CD2-SD 4.15Å; F119-M124 HydrophobicContact CG-CE 4.06Å
120P91.7Very high91.8Very high68 Ų6846.8 Ų46.844%0.44224%0.238SC..  trans-60.8136177.7-22.634.1000112.3T85 S122 R123 M124T85-P120 HydrophobicContact CG2-CG 4.02Å; P120-S122 PolarHBondContact O-N 2.9Å; P120-R123 PolarHBondContact O-N 3.26Å; P120-M124 PolarHBondContact O-N 2.96Å
121N89.1Confident91.8Very high70 Ų7042.9 Ų42.937%0.37422%0.217SC..Hα-helixtrans-49.9-38.8-178.8-170.337.9000112.9F119 R123 M124 Y125 A142 S143F119-N121 PolarHBondContact O-N 3.43Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.26Å; N121-M124 PolarHBondContact O-N 3.01Å; N121-M124 VanDerWaalsContact O-N 3.14Å; N121-Y125 WeakPolarHBondContact O-CB 3.37Å; N121-Y125 PolarHBondContact O-N 2.75Å; N121-A142 VanDerWaalsContact OD1-CB 3.23Å; N121-A142 WeakPolarHBondContact OD1-CB 3.49Å; N121-S143 PolarHBondContact ND2-O 3.11Å; N121-S143 PolarHBondContact ND2-OG 3.26Å
122S90.8Very high91.6Very high63 Ų6347.2 Ų47.244%0.44123%0.233SC..Hα-helixtrans-57.6-35.7176.8-166.80000114.1P120 E126P120-S122 PolarHBondContact O-N 2.9Å; S122-E126 WeakPolarHBondContact O-CB 3.48Å; S122-E126 PolarHBondContact O-N 3.36Å; S122-E126 VanDerWaalsContact O-N 3.12Å
123R91.9Very high91.5Very high60 Ų6053.2 Ų53.223%0.22626%0.261CS..Hα-helixtrans-81.2-30.5177.3-70.9-58.6-149.1137.115.9112.2T85 V86 V89 P120 N121 Y125 E126 L127T85-R123 HydrophobicContact CG2-CG 4.15Å; T85-R123 PolarHBondContact O-NE 2.94Å; T85-R123 PolarHBondContact O-NH2 2.85Å; V86-R123 PolarHBondContact O-NH1 3.29Å; V86-R123 PolarHBondContact O-NH2 3.3Å; V89-R123 HydrophobicContact CG2-CB 4.34Å; P120-R123 PolarHBondContact O-N 3.26Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.26Å; R123-Y125 VanDerWaalsContact C-N 3.35Å; R123-E126 WeakPolarHBondContact CD-OE2 3.32Å; R123-E126 IonicContact CZ-OE2 3.53Å; R123-E126 IonicContact NE-OE2 2.73Å; R123-E126 IonicContact NH1-OE1 3.67Å; R123-E126 IonicContact NH1-OE2 2.66Å; R123-E126 PolarHBondContact NH1-OE2 2.82Å; R123-L127 VanDerWaalsContact O-CB 3.3Å; R123-L127 WeakPolarHBondContact O-CB 3.21Å; R123-L127 PolarHBondContact O-N 3.17Å
124M93.5Very high91.2Very high1 Ų154.9 Ų54.91%0.00527%0.265CS..Hα-helixtrans-72.5-30.4173.6-61-67.390.800112I88 R112 W115 F119 P120 N121 L127 D128 A142I88-M124 HydrophobicContact CG2-CE 4.36Å; R112-M124 PolarHBondContact NH2-O 3.1Å; W115-M124 HydrophobicContact CB-SD 3.76Å; W115-M124 HydrophobicContact CE3-CE 4.36Å; W115-M124 HydrophobicContact CE3-SD 4.28Å; F119-M124 HydrophobicContact CB-CE 3.74Å; F119-M124 HydrophobicContact CB-CG 4.11Å; F119-M124 HydrophobicContact CB-SD 3.99Å; F119-M124 HydrophobicContact CD2-CE 3.8Å; F119-M124 HydrophobicContact CD2-SD 4.15Å; F119-M124 HydrophobicContact CG-CE 4.06Å; P120-M124 PolarHBondContact O-N 2.96Å; N121-M124 PolarHBondContact O-N 3.01Å; N121-M124 VanDerWaalsContact O-N 3.14Å; M124-L127 HydrophobicContact CE-CD1 3.89Å; M124-D128 VanDerWaalsContact O-CG 3.29Å; M124-D128 PolarHBondContact O-N 3.07Å; M124-A142 HydrophobicContact CB-CB 4.01Å
125Y92.1Very high91.1Very high60 Ų6053.6 Ų53.624%0.23526%0.256CS..Hα-helixtrans-71-44.4170.2-174-108.5000112.1N121 R123 L127 D128 I129 L140 A142 A144 P145N121-Y125 WeakPolarHBondContact O-CB 3.37Å; N121-Y125 PolarHBondContact O-N 2.75Å; R123-Y125 VanDerWaalsContact C-N 3.35Å; Y125-L127 VanDerWaalsContact C-N 3.3Å; Y125-L127 PolarHBondContact O-N 2.95Å; Y125-D128 PolarHBondContact O-N 3.19Å; Y125-I129 HydrophobicContact CD1-CD1 3.87Å; Y125-I129 HydrophobicContact CE1-CD1 3.38Å; Y125-I129 HydrophobicContact CE1-CG1 4.49Å; Y125-I129 HydrophobicContact CE2-CD1 4.28Å; Y125-I129 HydrophobicContact CG-CD1 4.5Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.23Å; Y125-L140 HydrophobicContact CE2-CD1 4.46Å; Y125-A142 HydrophobicContact CD2-CB 4.39Å; Y125-A142 WeakPolarHBondContact CD2-O 3.14Å; Y125-A144 HydrophobicContact CD2-CB 4.48Å; Y125-A144 HydrophobicContact CE1-CB 3.93Å; Y125-A144 HydrophobicContact CE2-CB 3.84Å; Y125-P145 VanDerWaalsContact CD1-CD 3.46Å; Y125-P145 HydrophobicContact CD1-CG 4.5Å
126E92.3Very high90.9Very high49 Ų4958.7 Ų58.723%0.22929%0.29CS..Hα-helixtrans-57.6-42.7172.6-169.9-173.5-174.600111.7V89 S122 R123 I129 R130V89-E126 HydrophobicContact CG1-CG 4.16Å; S122-E126 WeakPolarHBondContact O-CB 3.48Å; S122-E126 PolarHBondContact O-N 3.36Å; S122-E126 VanDerWaalsContact O-N 3.12Å; R123-E126 WeakPolarHBondContact CD-OE2 3.32Å; R123-E126 IonicContact CZ-OE2 3.53Å; R123-E126 IonicContact NE-OE2 2.73Å; R123-E126 IonicContact NH1-OE1 3.67Å; R123-E126 IonicContact NH1-OE2 2.66Å; R123-E126 PolarHBondContact NH1-OE2 2.82Å; E126-I129 PolarHBondContact O-N 3.33Å; E126-R130 PolarHBondContact O-N 3.2Å; E126-R130 IonicContact OE1-CZ 2.72Å; E126-R130 VanDerWaalsContact OE1-CZ 3.26Å; E126-R130 IonicContact OE1-NH1 3.22Å; E126-R130 PolarHBondContact OE1-NH1 3.07Å; E126-R130 IonicContact OE1-NH2 2.64Å; E126-R130 PolarHBondContact OE1-NH2 2.98Å
127L94Very high90.9Very high0 Ų056.1 Ų56.10%029%0.294CS..Hα-helixtrans-62.1-51.6175.1-175.8162.3000112.1V89 F92 R112 W115 R123 M124 Y125 I129 R130 V131V89-L127 HydrophobicContact CG1-CB 4.4Å; V89-L127 HydrophobicContact CG2-CB 4.4Å; F92-L127 HydrophobicContact CB-CD1 3.87Å; F92-L127 HydrophobicContact CB-CG 4.36Å; F92-L127 HydrophobicContact CD1-CD1 4.05Å; F92-L127 HydrophobicContact CD1-CD2 3.71Å; F92-L127 HydrophobicContact CD1-CG 3.94Å; F92-L127 HydrophobicContact CD2-CD1 4.33Å; F92-L127 HydrophobicContact CE1-CD2 3.81Å; F92-L127 HydrophobicContact CG-CD1 3.83Å; F92-L127 HydrophobicContact CG-CD2 4.32Å; F92-L127 HydrophobicContact CG-CG 4.23Å; F92-L127 HydrophobicContact CZ-CD2 4.47Å; R112-L127 HydrophobicContact CG-CD2 3.88Å; W115-L127 HydrophobicContact CE3-CD1 4.48Å; W115-L127 HydrophobicContact CZ3-CD1 4.25Å; R123-L127 VanDerWaalsContact O-CB 3.3Å; R123-L127 WeakPolarHBondContact O-CB 3.21Å; R123-L127 PolarHBondContact O-N 3.17Å; M124-L127 HydrophobicContact CE-CD1 3.89Å; Y125-L127 VanDerWaalsContact C-N 3.3Å; Y125-L127 PolarHBondContact O-N 2.95Å; L127-I129 VanDerWaalsContact C-N 3.25Å; L127-I129 PolarHBondContact O-N 2.79Å; L127-R130 PolarHBondContact O-N 2.73Å; L127-V131 HydrophobicContact CD2-CG2 4.03Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 3Å
128D93.6Very high90.9Very high0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-62.6-33.4-179.3-66.3-19.3000112.3R112 M124 Y125 R132 W138 L140 L141 A142R112-D128 IonicContact CZ-OD1 3.44Å; R112-D128 IonicContact CZ-OD2 3.23Å; R112-D128 IonicContact NE-OD1 3.72Å; R112-D128 PolarHBondContact NE-OD1 3.2Å; R112-D128 IonicContact NE-OD2 3.33Å; R112-D128 VanDerWaalsContact NH2-CG 3.3Å; R112-D128 IonicContact NH2-OD1 3.72Å; R112-D128 PolarHBondContact NH2-OD1 2.82Å; R112-D128 IonicContact NH2-OD2 3.6Å; R112-D128 PolarHBondContact NH2-OD2 2.93Å; M124-D128 VanDerWaalsContact O-CG 3.29Å; M124-D128 PolarHBondContact O-N 3.07Å; Y125-D128 PolarHBondContact O-N 3.19Å; D128-R132 WeakPolarHBondContact O-CB 3.17Å; D128-R132 PolarHBondContact O-N 3.06Å; D128-W138 PolarHBondContact OD1-NE1 2.96Å; D128-L140 HydrophobicContact CB-CD2 3.68Å; D128-L141 PolarHBondContact OD2-N 3.08Å; D128-A142 PolarHBondContact OD2-N 2.99Å
129I92.4Very high90.7Very high57 Ų5753.4 Ų53.429%0.29228%0.282SS..Hα-helixtrans-65.8-52.4174-72.3175.1000110.9Y125 E126 L127 V131 R132 E133 L140Y125-I129 HydrophobicContact CD1-CD1 3.87Å; Y125-I129 HydrophobicContact CE1-CD1 3.38Å; Y125-I129 HydrophobicContact CE1-CG1 4.49Å; Y125-I129 HydrophobicContact CE2-CD1 4.28Å; Y125-I129 HydrophobicContact CG-CD1 4.5Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.23Å; E126-I129 PolarHBondContact O-N 3.33Å; L127-I129 VanDerWaalsContact C-N 3.25Å; L127-I129 PolarHBondContact O-N 2.79Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.43Å; I129-R132 CarbonylContact O-C 3.54Å; I129-R132 WeakPolarHBondContact O-CA 3.22Å; I129-R132 WeakPolarHBondContact O-CB 3.28Å; I129-R132 PolarHBondContact O-N 3.3Å; I129-E133 WeakPolarHBondContact O-CG 3.15Å; I129-E133 PolarHBondContact O-N 3.35Å; I129-L140 HydrophobicContact CG1-CD2 4.13Å
130R94.1Very high90.4Very high80 Ų8056.5 Ų56.530%0.30230%0.298SS..Hα-helixtrans-65.3-27.4-179.9-73.3-161.5-177.810829.7113.6D90 V93 E126 L127 H134D90-R130 IonicContact OD1-NH1 2.7Å; D90-R130 PolarHBondContact OD1-NH1 2.93Å; V93-R130 HydrophobicContact CG1-CB 4.49Å; V93-R130 HydrophobicContact CG2-CB 3.54Å; E126-R130 PolarHBondContact O-N 3.2Å; E126-R130 IonicContact OE1-CZ 2.72Å; E126-R130 VanDerWaalsContact OE1-CZ 3.26Å; E126-R130 IonicContact OE1-NH1 3.22Å; E126-R130 PolarHBondContact OE1-NH1 3.07Å; E126-R130 IonicContact OE1-NH2 2.64Å; E126-R130 PolarHBondContact OE1-NH2 2.98Å; L127-R130 PolarHBondContact O-N 2.73Å; R130-H134 PolarHBondContact O-CD2 3.43Å
131V93.3Very high90Very high0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-73.1-40170.4-179.40000110.6F92 V93 F96 L127 I129 E133 H134 D135 W138F92-V131 HydrophobicContact CD1-CG2 3.83Å; F92-V131 HydrophobicContact CE1-CG2 3.83Å; V93-V131 HydrophobicContact CG2-CG2 4.15Å; F96-V131 HydrophobicContact CD1-CG1 3.88Å; F96-V131 HydrophobicContact CD2-CG1 3.87Å; F96-V131 HydrophobicContact CE1-CG1 3.79Å; F96-V131 HydrophobicContact CE2-CG1 3.78Å; F96-V131 HydrophobicContact CG-CG1 3.93Å; F96-V131 HydrophobicContact CZ-CG1 3.75Å; L127-V131 HydrophobicContact CD2-CG2 4.03Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 3Å; I129-V131 VanDerWaalsContact C-N 3.26Å; I129-V131 PolarHBondContact O-N 3.43Å; V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 3.42Å; V131-H134 CarbonylContact O-C 3.57Å; V131-H134 PolarHBondContact O-N 3.27Å; V131-D135 PolarHBondContact O-N 3.03Å; V131-W138 HydrophobicContact CB-CD2 4.1Å; V131-W138 HydrophobicContact CB-CG 4.06Å; V131-W138 HydrophobicContact CG1-CB 4.07Å; V131-W138 HydrophobicContact CG1-CD2 3.32Å; V131-W138 HydrophobicContact CG1-CE3 3.57Å; V131-W138 HydrophobicContact CG1-CG 3.57Å; V131-W138 HydrophobicContact CG1-CH2 4.32Å; V131-W138 HydrophobicContact CG1-CZ2 4.15Å; V131-W138 HydrophobicContact CG1-CZ3 4.08Å
132R90.5Very high89.5Confident101 Ų10153.6 Ų53.638%0.38128%0.28SS..Hα-helixtrans-64.7-28.2175.3-178.9175-78.6-151.6-11114D128 I129 H134 D135 W138D128-R132 WeakPolarHBondContact O-CB 3.17Å; D128-R132 PolarHBondContact O-N 3.06Å; I129-R132 CarbonylContact O-C 3.54Å; I129-R132 WeakPolarHBondContact O-CA 3.22Å; I129-R132 WeakPolarHBondContact O-CB 3.28Å; I129-R132 PolarHBondContact O-N 3.3Å; R132-H134 PolarHBondContact O-N 3.49Å; R132-D135 WeakPolarHBondContact CA-O 3.44Å; R132-D135 CarbonylContact O-C 3.59Å; R132-D135 PolarHBondContact O-N 3.1Å; R132-W138 HydrophobicContact CB-CB 4.46Å; R132-W138 VanDerWaalsContact CZ-O 3.26Å; R132-W138 PolarHBondContact NE-O 3.06Å; R132-W138 PolarHBondContact NH2-O 2.86Å
133E90.5Very high89.2Confident131 Ų13154.4 Ų54.461%0.61229%0.286SS*.THydrogen-bonded Turntrans-62.3-18.5169.5-72.5167.6-173.600113I129 V131I129-E133 WeakPolarHBondContact O-CG 3.15Å; I129-E133 PolarHBondContact O-N 3.35Å; V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 3.42Å
134H86.7Confident88.6Confident86 Ų8654 Ų5440%0.39830%0.295SS..THydrogen-bonded Turntrans-109.7-26.4176-58.3-39.7000113.8F96 Q97 R130 V131 R132F96-H134 HydrophobicContact CD1-CB 4.34Å; F96-H134 HydrophobicContact CE1-CB 4.14Å; Q97-H134 PolarHBondContact NE2-CE1 2.96Å; Q97-H134 PolarHBondContact NE2-NE2 3.32Å; R130-H134 PolarHBondContact O-CD2 3.43Å; V131-H134 CarbonylContact O-C 3.57Å; V131-H134 PolarHBondContact O-N 3.27Å; R132-H134 PolarHBondContact O-N 3.49Å
135D88.4Confident87.6Confident31 Ų3156.7 Ų56.717%0.16631%0.312CS..  trans-140.497.8179.4-169.2-24.1000110.7F96 R105 V131 R132 A137 W138F96-D135 HydrophobicContact CE1-CB 3.78Å; F96-D135 HydrophobicContact CZ-CB 3.59Å; R105-D135 IonicContact NH1-OD2 2.65Å; R105-D135 PolarHBondContact NH1-OD2 3.16Å; V131-D135 PolarHBondContact O-N 3.03Å; R132-D135 WeakPolarHBondContact CA-O 3.44Å; R132-D135 CarbonylContact O-C 3.59Å; R132-D135 PolarHBondContact O-N 3.1Å; D135-A137 PolarHBondContact O-N 3.19Å; D135-A137 WeakPolarHBondContact OD1-CB 3.46Å; D135-A137 PolarHBondContact OD1-N 3.2Å; D135-W138 WeakPolarHBondContact O-CB 3.29Å; D135-W138 PolarHBondContact O-N 2.84Å
136P87.7Confident86.1Confident109 Ų10963 Ų6371%0.70834%0.344SS*.THydrogen-bonded Turntrans-56.7-21.1-179.5-28.436.7000115W138P136-W138 VanDerWaalsContact C-N 3.3Å
137A86.1Confident84Confident85 Ų8565.3 Ų65.370%0.70237%0.371SS*.THydrogen-bonded Turntrans-77.2-13177.400000113.3D135 P139D135-A137 PolarHBondContact O-N 3.19Å; D135-A137 WeakPolarHBondContact OD1-CB 3.46Å; D135-A137 PolarHBondContact OD1-N 3.2Å; A137-P139 WeakPolarHBondContact O-CD 3.34Å
138W87.5Confident81.6Confident13 Ų1374 Ų745%0.04941%0.409CS..  trans-62.6122.2-179.4-169.3-94.3000111.6F92 F96 Y109 R112 D128 V131 R132 D135 P136F92-W138 AromaticContact CE1-CH2 3.99Å; F92-W138 HydrophobicContact CE1-CH2 3.99Å; F92-W138 AromaticContact CE1-CZ2 3.97Å; F92-W138 HydrophobicContact CE1-CZ2 3.97Å; F92-W138 AromaticContact CZ-CH2 3.94Å; F92-W138 HydrophobicContact CZ-CH2 3.94Å; F92-W138 HydrophobicContact CZ-CZ2 4.1Å; F96-W138 HydrophobicContact CD2-CZ3 4.15Å; F96-W138 AromaticContact CE2-CE3 3.9Å; F96-W138 HydrophobicContact CE2-CE3 3.9Å; F96-W138 AromaticContact CE2-CZ3 3.67Å; F96-W138 HydrophobicContact CE2-CZ3 3.67Å; F96-W138 HydrophobicContact CZ-CE3 4.38Å; Y109-W138 VanDerWaalsContact CA-CH2 3.48Å; Y109-W138 HydrophobicContact CD2-CH2 4.23Å; Y109-W138 HydrophobicContact CD2-CZ2 4.36Å; Y109-W138 HydrophobicContact CD2-CZ3 4.34Å; R112-W138 HydrophobicContact CB-CZ2 4.24Å; R112-W138 HydrophobicContact CG-CZ2 4.12Å; D128-W138 PolarHBondContact OD1-NE1 2.96Å; V131-W138 HydrophobicContact CB-CD2 4.1Å; V131-W138 HydrophobicContact CB-CG 4.06Å; V131-W138 HydrophobicContact CG1-CB 4.07Å; V131-W138 HydrophobicContact CG1-CD2 3.32Å; V131-W138 HydrophobicContact CG1-CE3 3.57Å; V131-W138 HydrophobicContact CG1-CG 3.57Å; V131-W138 HydrophobicContact CG1-CH2 4.32Å; V131-W138 HydrophobicContact CG1-CZ2 4.15Å; V131-W138 HydrophobicContact CG1-CZ3 4.08Å; R132-W138 HydrophobicContact CB-CB 4.46Å; R132-W138 VanDerWaalsContact CZ-O 3.26Å; R132-W138 PolarHBondContact NE-O 3.06Å; R132-W138 PolarHBondContact NH2-O 2.86Å; D135-W138 WeakPolarHBondContact O-CB 3.29Å; D135-W138 PolarHBondContact O-N 2.84Å; P136-W138 VanDerWaalsContact C-N 3.3Å
139P86.6Confident79Confident49 Ų4978.6 Ų78.632%0.31845%0.447SS..  trans-76.9139.7-178.332-36.1000111.7Y109 A137 L141Y109-P139 HydrophobicContact CD2-CG 4.3Å; Y109-P139 HydrophobicContact CE2-CG 3.51Å; A137-P139 WeakPolarHBondContact O-CD 3.34Å; P139-L141 HydrophobicContact CG-CG 4.35Å; P139-L141 PolarHBondContact O-N 3.46Å
140L86.1Confident76.4Confident73 Ų7379.7 Ų79.738%0.38246%0.464SS..  trans-73.198168.7-63.6177.3000108.8Y125 D128 I129Y125-L140 HydrophobicContact CE2-CD1 4.46Å; D128-L140 HydrophobicContact CB-CD2 3.68Å; I129-L140 HydrophobicContact CG1-CD2 4.13Å
141L82.3Confident73.7Confident70 Ų7085.3 Ų85.337%0.36649%0.491SS..  trans-87.5-13.6178.3-73.5178.1000112.6Y109 R112 T113 D128 P139Y109-L141 HydrophobicContact CD2-CD1 4.31Å; Y109-L141 HydrophobicContact CE2-CD1 3.57Å; Y109-L141 HydrophobicContact CE2-CG 4.22Å; R112-L141 VanDerWaalsContact CZ-CB 3.46Å; R112-L141 VanDerWaalsContact NH2-C 3.34Å; T113-L141 HydrophobicContact CG2-CD1 3.9Å; D128-L141 PolarHBondContact OD2-N 3.08Å; P139-L141 HydrophobicContact CG-CG 4.35Å; P139-L141 PolarHBondContact O-N 3.46Å
142A80Confident71Confident8 Ų897.1 Ų97.17%0.06654%0.536CS..SBendtrans-102.8145.8170.900000110.5N121 M124 Y125 D128N121-A142 VanDerWaalsContact OD1-CB 3.23Å; N121-A142 WeakPolarHBondContact OD1-CB 3.49Å; M124-A142 HydrophobicContact CB-CB 4.01Å; Y125-A142 HydrophobicContact CD2-CB 4.39Å; Y125-A142 WeakPolarHBondContact CD2-O 3.14Å; D128-A142 PolarHBondContact OD2-N 2.99Å
143S83Confident68.5Low80 Ų8097 Ų9756%0.55955%0.551SS**PPolyproline II helixtrans-81.6148.3169.156.60000110.8N121N121-S143 PolarHBondContact ND2-O 3.11Å; N121-S143 PolarHBondContact ND2-OG 3.26Å
144A80.2Confident66Low51 Ų5198.7 Ų98.742%0.42156%0.563SS.*PPolyproline II helixtrans-55.2135.7173.800000110.5Y125 E146Y125-A144 HydrophobicContact CD2-CB 4.48Å; Y125-A144 HydrophobicContact CE1-CB 3.93Å; Y125-A144 HydrophobicContact CE2-CB 3.84Å; A144-E146 PolarHBondContact O-N 3.31Å
145P73Confident63.7Low57 Ų57100 Ų10037%0.3758%0.579SS.*PPolyproline II helixtrans-62.9128.5175.326.4-33.4000109.7Y125 A147Y125-P145 VanDerWaalsContact CD1-CD 3.46Å; Y125-P145 HydrophobicContact CD1-CG 4.5Å; P145-A147 VanDerWaalsContact C-N 3.29Å; P145-A147 PolarHBondContact O-N 3.3Å
146E59.4Low61.3Low194 Ų194106 Ų10691%0.90761%0.611SS**  trans-67.984.5-180-67.7-172.4146.300111.2A144 K148A144-E146 PolarHBondContact O-N 3.31Å; E146-K148 PolarHBondContact O-N 3.02Å
147A49.6Very low59.1Low96 Ų96106.6 Ų106.679%0.79361%0.613SS**  trans-69.279.2176.700000110.9P145P145-A147 VanDerWaalsContact C-N 3.29Å; P145-A147 PolarHBondContact O-N 3.3Å
148K43.5Very low56.9Low184 Ų184108 Ų10880%0.862%0.615SS**  trans39.690.4171.4-66.5-180179.6176.30114.1E146 A150E146-K148 PolarHBondContact O-N 3.02Å; K148-A150 PolarHBondContact O-N 2.95Å
149A37.4Very low54.7Low96 Ų96117.4 Ų117.479%0.79366%0.656SS**SBendtrans-57.2-8.1168.600000114.6F151 R152A149-F151 PolarHBondContact O-N 3.03Å; A149-R152 PolarHBondContact O-N 3.26Å
150A38.5Very low52.3Low79 Ų79122.2 Ų122.265%0.65368%0.677SS**THydrogen-bonded Turntrans-67.851.7170.100000114.3K148K148-A150 PolarHBondContact O-N 2.95Å
151F38.4Very low50.3Low199 Ų199128 Ų12887%0.87370%0.703SS**THydrogen-bonded Turntrans-151.99.3155.1-103.1-63.1000114.2A149A149-F151 PolarHBondContact O-N 3.03Å
152R35.9Very low47.9Very low247 Ų247130.8 Ų130.893%0.93272%0.722SS**  trans-100.337.3171.6-70.5-166.8176.3-130.8-2.9113.8A149A149-R152 PolarHBondContact O-N 3.26Å
153S38.4Very low46.1Very low99 Ų99140 Ų14069%0.69276%0.761SS**SBendtrans-109.494.816055.70000108.2
154L38.4Very low43.8Very low167 Ų167141.1 Ų141.187%0.87476%0.764SS**  trans-60137.1178.8-74.1167.5000110.4N156L154-N156 PolarHBondContact O-N 2.93Å
155P36.6Very low42Very low113 Ų113146.8 Ų146.873%0.73478%0.782SS**  trans-59.8129.5174.5-23.434.1000111.3V157P155-V157 PolarHBondContact O-N 3.09Å
156N38.6Very low40.5Very low156 Ų156149.4 Ų149.483%0.83480%0.799SS**  trans-69.1109.8173.7-177.421.7000109.5L154 P158L154-N156 PolarHBondContact O-N 2.93Å; N156-P158 VanDerWaalsContact O-CD 3.26Å; N156-P158 WeakPolarHBondContact O-CD 3.28Å
157V41Very low39.5Very low123 Ų123146.6 Ų146.675%0.74580%0.795SS**  trans-77.6115.9-173.5178.60000111P155P155-V157 PolarHBondContact O-N 3.09Å
158P41.2Very low38.9Very low114 Ų114148 Ų14874%0.7479%0.793SS**PPolyproline II helixtrans-71150.6171.2-1431.5000110.9N156N156-P158 VanDerWaalsContact O-CD 3.26Å; N156-P158 WeakPolarHBondContact O-CD 3.28Å
159K41.4Very low38.7Very low210 Ų210145.1 Ų145.191%0.91379%0.791SS**PPolyproline II helixtrans-71145.4-173.5-70.2-179.6178.2177.80113.2
160I35.3Very low38.6Very low150 Ų150145.5 Ų145.577%0.76979%0.788SS**PPolyproline II helixtrans-51.3133.6178-61.1155.8000112.5T162I160-T162 HydrophobicContact CG2-CG2 3.83Å
161Q44.4Very low38.5Very low196 Ų196147.2 Ų147.292%0.91679%0.79SS**  trans-137.2142.1141.4-68.7-163.811.800109.2
162T31.4Very low38.4Very low127 Ų127146.9 Ų146.978%0.77979%0.788SS**  trans-113.8130.9-167.848.90000112.7I160I160-T162 HydrophobicContact CG2-CG2 3.83Å
163K41.7Very low38.4Very low201 Ų201143.3 Ų143.387%0.87478%0.782SS**  trans-157150.3149.7-145.9169.7-178.8-1790114.1
164T36.3Very low38.4Very low104 Ų104147.6 Ų147.664%0.63879%0.791SS**  trans-59.6168.8165.133.70000112.6
165E42.7Very low38.3Very low171 Ų171143.3 Ų143.380%0.79978%0.78SS**  cis-157.2174.124.1-134138.5-128.800111
166P39.9Very low38.3Very low112 Ų112146.3 Ų146.373%0.72778%0.781SS**  trans-109.5163.9-174.739.8-31.5000115.9
167V39.3Very low38.2Very low134 Ų134146.8 Ų146.881%0.81278%0.778SS**  trans-176.8117.6147.5136.40000110.7
168V35.7Very low38.1Very low126 Ų126145.2 Ų145.276%0.76478%0.778SS**  69.8143.991.4-162.90000117.8
169V40.2Very low38.1Very low124 Ų124145 Ų14575%0.75278%0.78SS**  trans86.6119.8172.5-166.90000114.8
170S36Very low38.1Very low104 Ų104142.1 Ų142.173%0.72777%0.773SS**  cis90.3154.928.2-148.90000113.7
171V35.9Very low38.3Very low114 Ų114140.1 Ų140.169%0.69177%0.769SS**  cis-157.3170.825.2-154.60000111.2
172K36.9Very low38.1Very low193 Ų193136 Ų13684%0.83976%0.757SS**  trans92.7160.7160.7-59.7177.8-177.2-177.30120.1
173Q35.6Very low38.6Very low172 Ų172138.7 Ų138.780%0.80476%0.758SS**  177173.5-52.1-109.5-176.5-51.900111.7
174E37.4Very low38.4Very low189 Ų189135.3 Ų135.388%0.88375%0.754SS**  trans91.5147165.8-58.6-178.3-167.100119.2
175A35.9Very low38.6Very low77 Ų77136 Ų13664%0.63676%0.758SS**  cis-171.5171.4-27.500000111.9
176K38Very low38.5Very low175 Ų175135.8 Ų135.876%0.76176%0.76SS**  trans86.7108.2160-50.1-145162.2-178.30117.1
177E36.1Very low38.4Very low166 Ų166135.2 Ų135.278%0.77676%0.759SS**  89.4135.966.3-79.3168.993.900111.4
178A38Very low38.3Very low90 Ų90133.1 Ų133.174%0.74476%0.756SS**  cis-143.8-1542.600000109.5
179S42.7Very low38.4Very low111 Ų111132.2 Ų132.278%0.77676%0.755SS**  cis-159.9-144.713.3-160.70000113.6
180L41.8Very low38.5Very low148 Ų148138.2 Ų138.278%0.77576%0.764SS**  trans-98.6170.8-164.9-97.554.1000115.2
181T39.3Very low38.8Very low109 Ų109141 Ų14167%0.66977%0.771SS**  cis-159.1138.330.3-110000115.1
182T38.9Very low39.2Very low109 Ų109140.4 Ų140.467%0.66977%0.77SS**  trans49.4138.5148.655.60000122.4
183K42.1Very low39.1Very low184 Ų184142.1 Ų142.180%0.877%0.771SS**  cis-158.3-163.2-0.7-97.1160.6-178.6172.90106.4
184T38.8Very low39.4Very low130 Ų130142.1 Ų142.180%0.79878%0.775SS**  cis-155.416020.7-480000113
185V40.5Very low39.2Very low118 Ų118140.3 Ų140.372%0.71577%0.772SS**  trans-58.4153.2172.6-153.50000113.4
186I40.2Very low39.5Very low166 Ų166148.3 Ų148.385%0.85179%0.785SS**  -152.9163.361-72.1162.9000112.8
187S36.8Very low39.3Very low101 Ų101149.5 Ų149.571%0.70679%0.791SS**  trans-131.1149.8-159.1-38.50000117.9
188A37.3Very low39.5Very low89 Ų89153.5 Ų153.574%0.73680%0.799SS**  trans75.7146.7130.200000125.8
189S38.7Very low39.6Very low108 Ų108157.9 Ų157.976%0.75580%0.801SS**  trans81.5114.2144.3-60.90000123.1
190R42.5Very low39.3Very low250 Ų250157 Ų15794%0.94380%0.795SS**  -172.5160.5104.4-106.1-17916889.90116.6
191D42.5Very low39.2Very low162 Ų162154.8 Ų154.887%0.86679%0.79SS**  trans-85.1174.6-167.6-100.7-43.8000116.8
192P44.1Very low38.9Very low102 Ų102158.1 Ų158.166%0.66280%0.797SS**  trans-102.9172.4-163.940.6-39.3000116.5
193R34.2Very low38.7Very low229 Ų229161.8 Ų161.886%0.86481%0.807SS**  trans166135.9136.7-90.4154.885.9108.4-0.2111.9
194L42.4Very low38.2Very low171 Ų171158.1 Ų158.190%0.89580%0.804SS**  168.5152.1118.8-89.6168.1000113.7
195N32.2Very low38Very low152 Ų152163.3 Ų163.381%0.81381%0.811SS**  trans-94.2146.3177.7-73.9-44.7000112.3
196R41.7Very low37.7Very low244 Ų244162.3 Ų162.392%0.92181%0.809SS**  177.5116.1120.8-97.7163.5108.81502.6116.6
197K35.2Very low37.2Very low201 Ų201159.3 Ų159.387%0.87480%0.803SS**  trans21117.2136.7-82.8179167.2174.80120.2
198R40.5Very low37.1Very low249 Ų249161.6 Ų161.694%0.9480%0.803SS**  167.3154.6122-93.1163.9174.3178-3110.4
199K39.2Very low36.9Very low182 Ų182165.4 Ų165.479%0.79181%0.805SS**  -167113-50.5161.5165.8179.4-172.60109.6
200S36.1Very low36.7Very low92 Ų92168.9 Ų168.964%0.64380%0.803SS**  trans59162153.160.60000121.3
201P39.7Very low36.4Very low103 Ų103164 Ų16467%0.66980%0.795SS**  cis-143.2-178.8-29.137.8-18.7000116.1
202Q33.1Very low36.2Very low178 Ų178163.2 Ų163.283%0.83279%0.789SS**  trans69.4153164.5-53.7-171-106.800116.1
203E35.9Very low36.1Very low186 Ų186164.4 Ų164.487%0.86979%0.79SS**  cis-115.5-171.24.5-72.2-178.1122.200113.4
204S31.4Very low36.3Very low107 Ų107165 Ų16575%0.74879%0.793SS**  trans-140.5146.2-16756.30000113.5
205Y34.6Very low36.3Very low240 Ų240161.6 Ų161.694%0.94178%0.783SS**  trans-150.3147.4132.3-131.4-90.4000110.3
206S33Very low36.7Very low96 Ų96157.1 Ų157.167%0.67177%0.773SS**  trans-103.5148.2-174.4-167.10000112.3
207S30.5Very low37.3Very low104 Ų104152.2 Ų152.273%0.72777%0.765SS**  trans-63.7152.3154.651.90000111
208E34.4Very low38.1Very low149 Ų149151 Ų15170%0.69676%0.762SS**  trans-152147144.5-136.8165.2-134.600112Y210E208-Y210 HydrophobicContact CB-CD2 4.38Å; E208-Y210 HydrophobicContact CB-CE2 3.84Å; E208-Y210 HydrophobicContact CG-CE2 4.05Å; E208-Y210 VanDerWaalsContact OE2-CE2 3.26Å; E208-Y210 WeakPolarHBondContact OE2-CE2 3.25Å; E208-Y210 VanDerWaalsContact OE2-CZ 3.27Å; E208-Y210 PolarHBondContact OE2-OH 2.89Å
209E33.1Very low38.4Very low169 Ų169145.3 Ų145.379%0.7975%0.75SS**  trans-117.4101.8-168.4179.2-173.6160.300109.2L211E209-L211 PolarHBondContact O-N 2.95Å
210Y33.9Very low38.6Very low180 Ų180143.9 Ų143.971%0.70675%0.748SS**  trans-91.188.7-171.4-85.9-83.3000113.5E208 I212E208-Y210 HydrophobicContact CB-CD2 4.38Å; E208-Y210 HydrophobicContact CB-CE2 3.84Å; E208-Y210 HydrophobicContact CG-CE2 4.05Å; E208-Y210 VanDerWaalsContact OE2-CE2 3.26Å; E208-Y210 WeakPolarHBondContact OE2-CE2 3.25Å; E208-Y210 VanDerWaalsContact OE2-CZ 3.27Å; E208-Y210 PolarHBondContact OE2-OH 2.89Å; Y210-I212 PolarHBondContact O-N 3.45Å
211L36.4Very low39.3Very low149 Ų149144.2 Ų144.278%0.7874%0.74SS**  trans-85.294.9174.6-158.1171000109.9E209E209-L211 PolarHBondContact O-N 2.95Å
212I37.5Very low39.9Very low145 Ų145142.8 Ų142.874%0.74473%0.732SS**  trans-86.2115.1-174.1-59177.9000111.8Y210Y210-I212 PolarHBondContact O-N 3.45Å
213D42.6Very low40.9Very low127 Ų127139.2 Ų139.268%0.67972%0.722SS**  trans-77.3157.7175.5-17739.1000113.3S215D213-S215 PolarHBondContact OD2-OG 3.48Å
214R38.7Very low41.6Very low242 Ų242134.1 Ų134.191%0.91371%0.712SS**SBendtrans-114.978.8-169.6-60.5176.196133.73.4112.3
215S41.8Very low42.6Very low98 Ų98138.2 Ų138.269%0.68571%0.711SS**  trans-141.1-5-177.850.60000117.2D213D213-S215 PolarHBondContact OD2-OG 3.48Å
216G41.7Very low43.6Very low59 Ų59135.5 Ų135.561%0.60870%0.704SS**  trans-79.5-37.9-16900000118.2Q218G216-Q218 VanDerWaalsContact C-N 3.34Å; G216-Q218 PolarHBondContact O-N 2.69Å; G216-Q218 VanDerWaalsContact O-N 3.13Å
217D54.7Low43.9Very low140 Ų140139.4 Ų139.475%0.74971%0.712SS**G310 helixtrans-72-17.2-153.8-56.8-41.4000116.5N219D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 2.96Å
218Q51.7Low44.2Very low175 Ų175138.2 Ų138.282%0.81872%0.716SS**G310 helixtrans-74.9-12.2-170.4-63.8-170.5-100114.4G216 S222G216-Q218 VanDerWaalsContact C-N 3.34Å; G216-Q218 PolarHBondContact O-N 2.69Å; G216-Q218 VanDerWaalsContact O-N 3.13Å; Q218-S222 PolarHBondContact O-OG 3.13Å
219N46.8Very low44.3Very low130 Ų130140.9 Ų140.970%0.69573%0.725SS**G310 helixtrans-94.5-22.8-173.3-141.69.6000114.4D217D217-N219 VanDerWaalsContact C-N 3.27Å; D217-N219 PolarHBondContact O-N 2.96Å
220M43.6Very low44.6Very low152 Ų152142 Ų14275%0.74973%0.731SS**THydrogen-bonded Turntrans-81.6-39.2177.6-73.7-162.7-73.200113.2S222 V223 A224M220-S222 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact O-N 3.09Å; M220-V223 PolarHBondContact O-N 2.78Å; M220-A224 PolarHBondContact O-N 3.42Å
221E50.1Low44.8Very low100 Ų100138.2 Ų138.247%0.46774%0.736SS.*Hα-helixtrans-58.4-25.8175.8-169.161.3-155.800112.3V223 R225E221-V223 VanDerWaalsContact C-N 3.34Å; E221-R225 IonicContact OE1-CZ 2.75Å; E221-R225 IonicContact OE1-NE 3.48Å; E221-R225 PolarHBondContact OE1-NE 2.93Å; E221-R225 IonicContact OE1-NH2 2.82Å; E221-R225 PolarHBondContact OE1-NH2 2.95Å
222S52.5Low44.7Very low72 Ų72139 Ų13950%0.50374%0.741SS.*Hα-helixtrans-72.7-21.2177.4-670000114.1Q218 M220Q218-S222 PolarHBondContact O-OG 3.13Å; M220-S222 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact O-N 3.09Å
223V53.2Low44.5Very low104 Ų104136.8 Ų136.863%0.6374%0.744SS**Hα-helixtrans-94.2-40.7-179.9-1780000111.1M220 E221 R225 K226M220-V223 PolarHBondContact O-N 2.78Å; E221-V223 VanDerWaalsContact C-N 3.34Å; V223-R225 PolarHBondContact O-N 3.41Å; V223-R225 VanDerWaalsContact O-N 3.08Å; V223-K226 PolarHBondContact O-N 2.93Å
224A51.7Low44.2Very low79 Ų79137 Ų13765%0.65376%0.756SS**Hα-helixtrans-61.5-18.2-179.200000114.6M220M220-A224 PolarHBondContact O-N 3.42Å
225R52.5Low44Very low192 Ų192134 Ų13473%0.72575%0.752SS**THydrogen-bonded Turntrans-100.311.7-176.6-62.4-176.3-178.5-160.12.3115.2E221 V223E221-R225 IonicContact OE1-CZ 2.75Å; E221-R225 IonicContact OE1-NE 3.48Å; E221-R225 PolarHBondContact OE1-NE 2.93Å; E221-R225 IonicContact OE1-NH2 2.82Å; E221-R225 PolarHBondContact OE1-NH2 2.95Å; V223-R225 PolarHBondContact O-N 3.41Å; V223-R225 VanDerWaalsContact O-N 3.08Å
226K54.4Low43.7Very low184 Ų184135.1 Ų135.180%0.876%0.76SS**SBendtrans-125.34.3-173.7-89.2-173.8177.5179.40116.8V223V223-K226 PolarHBondContact O-N 2.93Å
227Q40.7Very low43.4Very low178 Ų178137.3 Ų137.383%0.83277%0.766SS**SBendtrans-123.1152.8177.2-71.3-75.410.400110.6
228G36Very low42.5Very low79 Ų79141 Ų14181%0.81478%0.776SS**  trans86.148.2163.800000118.1
229K36.9Very low41.6Very low205 Ų205140.4 Ų140.489%0.89177%0.77SS**  trans-134.664.4164.5-162.2-174178.7-177.20113.1
230Q38.9Very low41Very low193 Ų193140.7 Ų140.790%0.90278%0.777SS**  trans-163166.9168.6-110.9169.215.200109.9
231A37.7Very low40.3Very low100 Ų100139.9 Ų139.983%0.82677%0.773SS**  trans72.588.9-179.600000116.5
232D35.1Very low39.6Very low165 Ų165141.8 Ų141.888%0.88279%0.785SS**  trans-80.3168.1155.4-70.3-73.3000111.3
233A34Very low38.8Very low98 Ų98147.9 Ų147.981%0.8180%0.803SS**  trans66.697.3159.600000119.8
234S35.8Very low37.6Very low132 Ų132146.7 Ų146.792%0.92381%0.812SS**  -166.5165.6118.729.90000110.8
235E34.3Very low36.8Very low179 Ų179146.7 Ų146.784%0.83682%0.82SS**  trans-138.8145-154.8173.7178.6-158.500112
236S35.8Very low35.8Very low121 Ų121145.9 Ų145.985%0.84682%0.824SS**  trans-178.7144.6139.336.70000112.2
237S34.7Very low34.9Very low106 Ų106145.4 Ų145.474%0.74183%0.831SS**  trans-91.6161.9-177.4-41.70000113.3
238K36Very low34.5Very low217 Ų217141.6 Ų141.694%0.94382%0.822SS**  trans-144.6128.8134.3-108.5156.5-169.5171.50110.1
239K33.7Very low34.4Very low162 Ų162145.4 Ų145.470%0.70482%0.824SS**  trans-119.3143.7-176.3-175.8-171.4-174.7-167.60108M241K239-M241 HydrophobicContact CD-CG 3.93Å; K239-M241 HydrophobicContact CD-SD 4.11Å; K239-M241 VanDerWaalsContact CE-CG 3.48Å; K239-M241 HydrophobicContact CG-CG 4.24Å; K239-M241 PolarHBondContact NZ-SD 2.9Å; K239-M241 VanDerWaalsContact NZ-SD 3.37Å
240V33Very low34.2Very low137 Ų137143 Ų14383%0.8382%0.818SS**  trans-116.2139.8161.9179.60000107.5
241M30Very low34.1Very low135 Ų135145.8 Ų145.867%0.66582%0.82SS**  trans-123.9145.7179.7-72.9170.950.400109K239K239-M241 HydrophobicContact CD-CG 3.93Å; K239-M241 HydrophobicContact CD-SD 4.11Å; K239-M241 VanDerWaalsContact CE-CG 3.48Å; K239-M241 HydrophobicContact CG-CG 4.24Å; K239-M241 PolarHBondContact NZ-SD 2.9Å; K239-M241 VanDerWaalsContact NZ-SD 3.37Å
242L34.1Very low34Very low140 Ų140146.8 Ų146.873%0.73382%0.821SS**  trans-174.4135.9157.6-84.7133.4000104.8
243F35.7Very low33.7Very low199 Ų199147.5 Ų147.587%0.87382%0.819SS**  cis-124.4172.6-7.8-93.1-82.2000109.6
244G29Very low33.7Very low79 Ų79150.7 Ų150.781%0.81482%0.823SS**  trans-126.3163.8168.700000111.8
245G34.4Very low33.5Very low80 Ų80149.5 Ų149.583%0.82581%0.814SS**  trans-162.3113.1171.800000107.6
246E32.5Very low33.6Very low175 Ų175146.8 Ų146.882%0.81881%0.81SS**  trans-105.9143.3-174.4-61178.1129.100110.1
247D34.4Very low33.4Very low174 Ų174146.9 Ų146.993%0.9381%0.807SS**  trans-129.2130.9157.9-98.9-43.4000108
248C31.9Very low33.1Very low98 Ų98146.2 Ų146.266%0.66281%0.808SS**  trans-140.7128-168-82.10000111.5
249D34.6Very low32.8Very low158 Ų158141.4 Ų141.485%0.84580%0.802SS**  trans-152.299.4162.3-144.235.4000108.7
250M32.7Very low32.7Very low156 Ų156139.5 Ų139.577%0.76881%0.806SS**  69.491.985.2-66.5-67.4160.900116.2
251R36Very low32.4Very low251 Ų251137.7 Ų137.795%0.94781%0.806SS**  trans-155.9142.8132.7-119.8167.6178.4144.42.6113.4
252S35.9Very low32.5Very low121 Ų121143.1 Ų143.185%0.84682%0.819SS**  trans-75.2149.2-165.6-46.50000114.7
253Q29.8Very low32.5Very low179 Ų179141.7 Ų141.784%0.83682%0.82SS**  trans-82.8159.6167.1-61.1-175.410.500111.5
254N34Very low32.3Very low166 Ų166138.1 Ų138.189%0.88882%0.82SS**  trans-129.7142.5153.9-112-17.3000108.6
255S31.9Very low32.5Very low106 Ų106136.9 Ų136.974%0.74181%0.807SS**  trans-82.8171.2-174.341.30000112.3
256V35.4Very low32.6Very low123 Ų123138.9 Ų138.975%0.74579%0.79SS**  163.9149.384.81650000106.1
257P32.3Very low32.9Very low123 Ų123135.6 Ų135.680%0.79979%0.786SS**  cis-130.3-161.4-29.239.8-19.5000113
258A27.2Very low33.2Very low91 Ų91131.6 Ų131.675%0.75277%0.765SS**  trans-71.2161.9-172.300000118.4
259S29.8Very low33.5Very low117 Ų117131.7 Ų131.782%0.81875%0.752SS**  trans-151.3156.6154.2-86.90000110.3
260P32Very low33.9Very low121 Ų121128.7 Ų128.779%0.78674%0.735SS**  trans-87.9154.2-139.331.3-37.4000116.7
261A27.5Very low34.1Very low100 Ų100123.1 Ų123.183%0.82672%0.717SS**  trans-64.2144.8173.500000112.6
262R31.9Very low34.3Very low249 Ų249117.6 Ų117.694%0.9470%0.7SS**  trans-110.5103165.9-75.3-170.7171.3-138-2.7109.9
263S34.4Very low34.6Very low110 Ų110116.7 Ų116.777%0.76968%0.683SS**  trans-74.9160.1175.348.20000112.5
264S30.5Very low35Very low123 Ų123112.5 Ų112.586%0.8667%0.673SS**  trans-34130.417048.40000116.8
265G32.6Very low35Very low53 Ų53112.6 Ų112.655%0.54667%0.668SS.*  trans179.272.2169.200000112.8
266W37.1Very low35.1Very low123 Ų123113.4 Ų113.447%0.46667%0.668SS.*SBendtrans-78.5-27.5-173.4-140.153.4000113.7P572 L575W266-P572 HydrophobicContact CE3-CB 4.32Å; W266-P572 HydrophobicContact CH2-CB 3.98Å; W266-P572 HydrophobicContact CH2-CG 4.44Å; W266-P572 HydrophobicContact CZ3-CB 3.57Å; W266-P572 HydrophobicContact CZ3-CG 3.92Å; W266-L575 HydrophobicContact CH2-CB 4.21Å; W266-L575 HydrophobicContact CH2-CD1 3.9Å; W266-L575 HydrophobicContact CZ2-CB 4.01Å; W266-L575 HydrophobicContact CZ2-CD1 4.26Å
267S39.2Very low34.7Very low106 Ų106112.3 Ų112.374%0.74167%0.665SS**Hα-helixtrans-66.6-37.8178.7-46.20000113.1Y269 I270S267-Y269 PolarHBondContact O-N 3.12Å; S267-I270 PolarHBondContact O-N 3.14Å
268D39.9Very low34.5Very low89 Ų89111.4 Ų111.448%0.47666%0.661SS.*Hα-helixtrans-60.1-30.4-179.7-89.849.3000113.8I270 K272D268-I270 PolarHBondContact O-N 3.04Å; D268-K272 WeakPolarHBondContact O-CB 3.16Å; D268-K272 PolarHBondContact O-N 3.13Å; D268-K272 VanDerWaalsContact O-N 3.1Å; D268-K272 IonicContact OD2-NZ 3.79Å; D268-K272 PolarHBondContact OD2-NZ 3.25Å
269Y39.3Very low34.5Very low101 Ų101118.2 Ų118.240%0.39667%0.668SS.*Hα-helixtrans-70.3-31.7-173.1-170.9-113.1000112.7S267 H273S267-Y269 PolarHBondContact O-N 3.12Å; Y269-H273 PolarHBondContact O-CD2 3.02Å
270I41.6Very low34.7Very low94 Ų94124.2 Ų124.248%0.48267%0.672SS.*Hα-helixtrans-81-47.3176.9-60.6179.6000109.8S267 D268 K272 H273S267-I270 PolarHBondContact O-N 3.14Å; D268-I270 PolarHBondContact O-N 3.04Å; I270-K272 PolarHBondContact O-N 3.21Å; I270-H273 PolarHBondContact O-N 2.93Å
271G36.9Very low34.5Very low39 Ų39128 Ų12840%0.40268%0.679SS.*Hα-helixtrans-63.6-34.7-177.300000114.9H273 S274G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-N 3.13Å; G271-S274 PolarHBondContact O-OG 2.96Å
272K41.3Very low35Very low135 Ų135128.3 Ų128.359%0.58767%0.671SS**THydrogen-bonded Turntrans-77.4-7.7-180-76.7167.8175.1160.50114.6D268 I270D268-K272 WeakPolarHBondContact O-CB 3.16Å; D268-K272 PolarHBondContact O-N 3.13Å; D268-K272 VanDerWaalsContact O-N 3.1Å; D268-K272 IonicContact OD2-NZ 3.79Å; D268-K272 PolarHBondContact OD2-NZ 3.25Å; I270-K272 PolarHBondContact O-N 3.21Å
273H42Very low35.6Very low103 Ų103126.3 Ų126.348%0.47767%0.669SS.*THydrogen-bonded Turntrans-106.6-3.9179.9-83.2-68.2000114.7Y269 I270 G271Y269-H273 PolarHBondContact O-CD2 3.02Å; I270-H273 PolarHBondContact O-N 2.93Å; G271-H273 VanDerWaalsContact C-N 3.27Å; G271-H273 PolarHBondContact O-N 3.13Å
274S38.3Very low35.8Very low90 Ų90126.5 Ų126.563%0.62966%0.662SS**SBendtrans-80.3-21.117238.20000114.6G271G271-S274 PolarHBondContact O-OG 2.96Å
275E34.6Very low36.5Very low169 Ų169126.5 Ų126.579%0.7965%0.651SS**SBendtrans-101.5-10.5-167.3-60.2-170.4155.500115.2C277E275-C277 VanDerWaalsContact C-N 3.31Å; E275-C277 PolarHBondContact O-N 3.06Å
276V32.6Very low36.9Very low123 Ų123128.3 Ų128.375%0.74565%0.648SS**  trans-86.168.7-176.8-168.10000111.3
277C27.1Very low37.2Very low100 Ų100126.7 Ų126.768%0.67665%0.647SS**  trans-11753.5-179.6-157.70000113E275E275-C277 VanDerWaalsContact C-N 3.31Å; E275-C277 PolarHBondContact O-N 3.06Å
278S28.3Very low37.3Very low103 Ų103129.1 Ų129.172%0.7264%0.64SS**SBendtrans-149.4135.1170.2-169.70000112.8
279R28.1Very low37Very low235 Ų235133.5 Ų133.589%0.88766%0.655SS**SBendtrans41.587.9170-75.3-177.3163.7178.4-4.7118
280R32.7Very low36.8Very low242 Ų242131.3 Ų131.391%0.91366%0.657SS**  trans-163.8140.8131.7-106.7158.9-168.8-177.93.8110.1
281E28.8Very low36.1Very low200 Ų200134.7 Ų134.794%0.93568%0.676SS**  trans-72.1128.2-178.6-64.3167.2127.100110.4
282T37Very low36Very low107 Ų107138.4 Ų138.466%0.65670%0.695SS**  trans-130.1138.917351.40000109D284T282-D284 PolarHBondContact O-N 2.69Å; T282-D284 VanDerWaalsContact O-N 3.09Å
283K46.2Very low35.8Very low207 Ų207139.5 Ų139.590%0.971%0.708SS**  trans-75.4100.9-176.7-64.2-174.5177.9-175.90110.3
284D37.3Very low35.5Very low115 Ų115140.1 Ų140.162%0.61572%0.721SS**  trans-64.4148.5169.2-69.8-47.8000111T282T282-D284 PolarHBondContact O-N 2.69Å; T282-D284 VanDerWaalsContact O-N 3.09Å
285I45.8Very low35.6Very low123 Ų123142 Ų14263%0.63173%0.731SS**  trans-127.4102.4177.9-61.1175.2000107.4M287I285-M287 HydrophobicContact CG2-CG 4.34Å
286D41.9Very low35.6Very low91 Ų91142.5 Ų142.549%0.48774%0.738SS.*  trans-83.8124.7167.5-1720.7000109.5R288D286-R288 VanDerWaalsContact C-N 3.31Å; D286-R288 VanDerWaalsContact OD1-CB 3.3Å; D286-R288 WeakPolarHBondContact OD1-CB 3.47Å; D286-R288 VanDerWaalsContact OD1-CG 3.29Å; D286-R288 WeakPolarHBondContact OD1-CG 3.5Å; D286-R288 PolarHBondContact OD1-N 3.3Å
287M43.2Very low35.7Very low88 Ų88141.1 Ų141.143%0.43374%0.74SS.*SBendtrans-89.98.5-178.8-63.1-124.8-71.100113.2I285 R562I285-M287 HydrophobicContact CG2-CG 4.34Å; M287-R562 WeakPolarHBondContact CE-O 3.32Å
288R41.3Very low35.8Very low157 Ų157141.9 Ų141.959%0.59275%0.745SS**SBendtrans-91.5-11.1-172.4-68.5173.9169.4177.9-4.4116.1D286D286-R288 VanDerWaalsContact C-N 3.31Å; D286-R288 VanDerWaalsContact OD1-CB 3.3Å; D286-R288 WeakPolarHBondContact OD1-CB 3.47Å; D286-R288 VanDerWaalsContact OD1-CG 3.29Å; D286-R288 WeakPolarHBondContact OD1-CG 3.5Å; D286-R288 PolarHBondContact OD1-N 3.3Å
289F33.4Very low36Very low182 Ų182142.5 Ų142.580%0.79875%0.749SS**  trans-115.891.3-175.7-72.4-83.3000113.2
290A33.5Very low36.4Very low54 Ų54136.9 Ų136.945%0.44674%0.743SS.*  trans-158.846.4171.500000112.8R562A290-R562 PolarHBondContact O-NH1 3.47Å
291L29Very low36.2Very low166 Ų166129.5 Ų129.587%0.86973%0.729SS**  trans-154.691.1171.6-79.5-177.5000111.4
292S34.8Very low36.3Very low117 Ų117129.2 Ų129.282%0.81872%0.724SS**  trans-161.1136.6160.2440000110.1
293N36.3Very low36Very low157 Ų157128.3 Ų128.384%0.8472%0.723SS**PPolyproline II helixtrans-86.6148.9-175.9-62.7-22.9000111.3
294P34.5Very low35.3Very low117 Ų117125.7 Ų125.776%0.7672%0.717SS**PPolyproline II helixtrans-77.4139.9170.532.3-33.6000111.4
295P42.1Very low35.2Very low130 Ų130124.3 Ų124.384%0.84472%0.716SS**PPolyproline II helixtrans-80.2144.2165.732.6-32.4000111.4
296L33.1Very low34.7Very low179 Ų179125.1 Ų125.194%0.93772%0.718SS**PPolyproline II helixtrans-93.3134.3174.8-68.8159.3000110.7
297A35.3Very low34.5Very low94 Ų94127.8 Ų127.878%0.77773%0.725SS**  trans-168.2137.9151.700000113.9
298C29.8Very low34.2Very low115 Ų115131 Ų13178%0.77774%0.742SS**  trans49.594.3147.1-59.70000122.2
299S31.3Very low34.1Very low117 Ų117127.4 Ų127.482%0.81874%0.741SS**  54.6158.790.6-46.40000119.9
300P36.4Very low34.5Very low116 Ų116128.6 Ų128.675%0.75375%0.746SS**  -138.5-166.6-115.838.6-14.8000117.1
301S30.1Very low34.9Very low88 Ų88129.6 Ų129.662%0.61576%0.761SS**  trans80.1155.1150.668.80000122.6
302F30.3Very low35.6Very low193 Ų193127 Ų12785%0.84676%0.755SS**  trans71.6142.2172.5-60.9-74.3000118.2
303S30.5Very low35.5Very low88 Ų88128.1 Ų128.162%0.61575%0.751SS**  cis-170.6173.3-21.5-148.80000111.2
304I32.2Very low35.5Very low153 Ų153126.7 Ų126.779%0.78574%0.743SS**  trans69.5136.2154.4-70.9160.8000116.1
305S34.9Very low35.4Very low86 Ų86126.1 Ų126.160%0.60174%0.737SS**  cis-158155.32.1-128.90000113
306E35.7Very low35Very low140 Ų140127.2 Ų127.265%0.65474%0.735SS**  trans44.5152.1131.2-66.5-170.5147.400122.9
307K37.8Very low34.9Very low146 Ų146124.4 Ų124.464%0.63573%0.725SS**  cis-166.5171.510.1-127162.9-172.5145.10111.3
308I36.9Very low34.6Very low157 Ų157126.5 Ų126.581%0.80572%0.722SS**  trans71.9137.3151.2-73.3162.7000116.7
309S39Very low34.8Very low80 Ų80128 Ų12856%0.55972%0.722SS**  cis-169.9134-4.6153.80000114.5
310K41.4Very low34.8Very low207 Ų207130.5 Ų130.590%0.972%0.718SS**  trans58.5129.2145.4-58.8170.6-167.9178.40122
311G41.1Very low34.9Very low75 Ų75130.7 Ų130.777%0.77372%0.719SS**  trans176.7118161.500000109.5
312P44.1Very low34.9Very low113 Ų113132.6 Ų132.673%0.73472%0.722SS**  trans-122.7160.9-151.742.9-32.9000118
313L33.7Very low35.1Very low140 Ų140128.1 Ų128.173%0.73372%0.722SS**  trans49.6155.4134.5-63.7172000121.2V315L313-V315 HydrophobicContact CD2-CG2 3.87Å
314D35.9Very low35.2Very low127 Ų127128.3 Ų128.368%0.67973%0.728SS**  cis-120.7170.72.3-81.3-66.1000110.4
315V31.3Very low35.6Very low105 Ų105126.1 Ų126.164%0.63672%0.724SS**  cis85.7157.420.4-173.20000114.4L313L313-V315 HydrophobicContact CD2-CG2 3.87Å
316L34.2Very low35.4Very low152 Ų152127.9 Ų127.980%0.79673%0.731SS**  trans70.2107.5-167.7-52173.1000114.4
317V30.8Very low35.2Very low121 Ų121128 Ų12873%0.73374%0.735SS**  cis77.9134.111.7-149.80000116.6
318I29Very low35Very low138 Ų138126.2 Ų126.271%0.70874%0.741SS**  trans63.9114170-9.4166000119.5
319N33.9Very low35Very low147 Ų147123.7 Ų123.779%0.78674%0.735SS**  162.2157.3107.8-92.3-56.1000116.4
320K31.6Very low34.9Very low169 Ų169126.2 Ų126.274%0.73575%0.746SS**  trans-53.1164.5162.9-105.5-172.1178-158.90112.7D322K320-D322 IonicContact NZ-OD2 3.76Å
321P38.7Very low34.5Very low119 Ų119120.5 Ų120.577%0.77373%0.732SS**  cis-147.4-179.249.143.6-24.1000118.4
322D29.1Very low34.3Very low128 Ų128128 Ų12868%0.68474%0.738SS**  trans-57.2134.7166-45.9-102.8000112.9K320K320-D322 IonicContact NZ-OD2 3.76Å
323A36.1Very low33.7Very low100 Ų100130.3 Ų130.383%0.82674%0.738SS**  trans-165.6111.4157.900000112.8
324A31.1Very low33.7Very low92 Ų92129.5 Ų129.576%0.7674%0.735SS**  trans-92.6-173.1144.300000107.6
325P41.4Very low33.4Very low107 Ų107129.1 Ų129.170%0.69574%0.737SS**  cis-133.3-159.6-8.230.8-7.4000112.2
326T29.4Very low33.3Very low122 Ų122128 Ų12875%0.74873%0.734SS**  trans69.3166.4155.210.20000116.2
327I32.2Very low33.2Very low142 Ų142129 Ų12973%0.72873%0.734SS**  cis-133.7144.3-6.7-31.8160.9000106.1
328S33.8Very low33.3Very low109 Ų109129.8 Ų129.876%0.76273%0.73SS**  179.4152.988.4-67.70000112.2
329P37.2Very low33.6Very low104 Ų104133 Ų13368%0.67573%0.733SS**  trans-114.7176.9-172.842.9-34.1000114.3
330V37.8Very low33.5Very low133 Ų133135.2 Ų135.281%0.80674%0.736SS**  trans-178.9115.8134.6143.80000105.6
331S32.6Very low33.9Very low87 Ų87132.2 Ų132.261%0.60873%0.734SS**  cis94.8137.345.4-72.50000113.4
332R35.2Very low34.1Very low234 Ų234131.8 Ų131.888%0.88373%0.731SS**  trans77.6146165.6-66.6170.1-175.1-175.40.9117.1
333H33.3Very low34.5Very low160 Ų160129.7 Ų129.774%0.74173%0.727SS**  cis-172.8175.6-27.8-135.4-101.9000108.1
334N33.1Very low34.3Very low124 Ų124132.7 Ų132.766%0.66372%0.724SS**  trans71.6128.2164.8-648.4000114.2
335T28.8Very low34.3Very low118 Ų118133.7 Ų133.772%0.72472%0.72SS**  59.6137.465.779.90000112.6
336S30.8Very low34Very low83 Ų83137 Ų13758%0.5873%0.726SS**  cis-154.916822.6-38.30000113.5
337E30.3Very low34Very low171 Ų171137 Ų13780%0.79973%0.731SS**  trans59.7141.4135.7-69.2160.6128.300123
338E34.2Very low34Very low138 Ų138133 Ų13365%0.64573%0.725SS**  trans79.4141.4156.4-51.6-124.1127.200118.9
339R34Very low33.9Very low206 Ų206138 Ų13878%0.77773%0.733SS**  cis-152.9150.2-11.3-126.2177.8-179.2135.12.3112.5
340F31.9Very low33.6Very low194 Ų194136 Ų13685%0.85173%0.731SS**  trans-65.6176.9160.8-82.9-106.2000112.1
341P40.7Very low33.4Very low106 Ų106140.2 Ų140.269%0.68874%0.739SS**  cis-137.9-114.7-47.839.6-19.3000111.4
342P43Very low33.3Very low109 Ų109139.3 Ų139.371%0.70874%0.743SS**  -110.8-164.9-84.741.7-23.6000113
343S36.5Very low33.2Very low84 Ų84133.4 Ų133.459%0.58774%0.738SS**  150.1108.2127-93.70000110
344E33.7Very low33.3Very low164 Ų164130.3 Ų130.377%0.76673%0.734SS**  97.3120.496.6-80.9177.411100110.8
345V30.6Very low33.3Very low113 Ų113131.5 Ų131.569%0.68574%0.74SS**  cis107.214242.5155.10000109.7
346Q34.6Very low33.8Very low177 Ų177130.4 Ų130.483%0.82774%0.736SS**  trans69.9139.1-177.6-68.7160.475.500115
347S30.5Very low33.9Very low121 Ų121132.4 Ų132.485%0.84674%0.739SS**  cis124.5119.92176.80000110.6
348G31.6Very low34.1Very low58 Ų58131.9 Ų131.960%0.59874%0.741SS**  trans106.9132.8142.400000117.5
349K32.4Very low34Very low215 Ų215133.2 Ų133.294%0.93575%0.745SS**  trans60.5121.4144-52.3164.2-172.7172.50115.4
350G29.7Very low33.9Very low61 Ų61131.7 Ų131.763%0.62975%0.752SS**  cis136.6-169.330.900000108.3
351F33.6Very low33.7Very low221 Ų221131.7 Ų131.797%0.96975%0.746SS**  trans66.5133.2-167.3-57.5-90.3000113.8
352G30.1Very low33.6Very low68 Ų68132.3 Ų132.370%0.70175%0.75SS**  cis122.491-15.300000115.2
353S35Very low32.8Very low111 Ų111133.5 Ų133.578%0.77675%0.746SS**  trans-160121.7155.9-82.10000104.9
354S34.5Very low32.7Very low94 Ų94137.3 Ų137.366%0.65776%0.758SS**  57.6131.452.1910000111.1
355N32.1Very low32.7Very low149 Ų149135.2 Ų135.280%0.79775%0.752SS**  cis168.8-179.37.2-111.3-2.1000103.6
356P40.6Very low32.8Very low96 Ų96139.1 Ų139.162%0.62376%0.759SS**  -131.9-157.4-52.538.9-19.9000110.2
357D32.1Very low32.7Very low124 Ų124135.8 Ų135.866%0.66376%0.756SS**  trans45126.1148.8-73.2-57.6000121.3
358L34.7Very low32.7Very low160 Ų160137.5 Ų137.584%0.83875%0.75SS**  -163.6142.895-102.8171000114.9
359K31.6Very low32.8Very low167 Ų167140.9 Ų140.973%0.72676%0.755SS**  trans-61.9154.9-178.5-56.5143-177.6169.20113.2
360L33.1Very low32.7Very low174 Ų174137.4 Ų137.491%0.91175%0.745SS**  -170.4137.4116.1-101.9159.3000113.3
361R27.5Very low32.8Very low194 Ų194139.9 Ų139.973%0.73275%0.75SS**  trans-155.7133.1172.5-176.8-178.9-173.1-105.6-2.3108.3E363R361-E363 IonicContact CZ-OE1 3.19Å; R361-E363 VanDerWaalsContact NH1-CD 3.33Å; R361-E363 IonicContact NH1-OE1 2.68Å; R361-E363 PolarHBondContact NH1-OE1 3.31Å; R361-E363 IonicContact NH2-OE1 3.5Å; R361-E363 PolarHBondContact NH2-OE1 2.84Å
362P38Very low33.1Very low119 Ų119135 Ų13577%0.77374%0.74SS**  trans-119.9139.3166.126.4-9.7000113.2
363E26.8Very low33.2Very low134 Ų134141.8 Ų141.863%0.62675%0.745SS**  trans-114.3131.5166-69.5-176.4171.400110.1R361R361-E363 IonicContact CZ-OE1 3.19Å; R361-E363 VanDerWaalsContact NH1-CD 3.33Å; R361-E363 IonicContact NH1-OE1 2.68Å; R361-E363 PolarHBondContact NH1-OE1 3.31Å; R361-E363 IonicContact NH2-OE1 3.5Å; R361-E363 PolarHBondContact NH2-OE1 2.84Å
364I34.6Very low33.2Very low163 Ų163145.5 Ų145.584%0.83674%0.743SS**  trans-152140.1164.3-58.1-175.7000106.5
365L33.8Very low33.1Very low121 Ų121145.7 Ų145.763%0.63474%0.744SS**  cis164.6117.2-30.7-104.4161.9000106.6
366K31.3Very low33.2Very low194 Ų194147 Ų14784%0.84374%0.743SS**  trans66.9167.1157.8-60.5170.9179.91740116.4
367S33.2Very low32.8Very low108 Ų108148.7 Ų148.776%0.75575%0.746SS**  cis-141.91739.558.40000113.9
368E30Very low32.9Very low157 Ų157148.1 Ų148.173%0.73474%0.743SS**  trans-97.7-168.9-173.8-38108.4117.800116.1
369N33.4Very low32.8Very low129 Ų129146.1 Ų146.169%0.6973%0.733SS**  trans90.4149.1159.8-53.4-65000118.3
370I31.7Very low32.8Very low142 Ų142147.3 Ų147.373%0.72874%0.739SS**  cis-155.8157.5-16.7-112.6164.5000108.9
371P31.3Very low32.8Very low112 Ų112144.9 Ų144.973%0.72773%0.731SS**  trans-107.3-150-171.842.8-33.2000114.8
372P40.4Very low33.4Very low119 Ų119140.9 Ų140.977%0.77373%0.73SS**  -118.9-178.5-109.839.3-21.3000114.7
373R31.7Very low33.1Very low210 Ų210141 Ų14179%0.79273%0.728SS**  trans-154.6144.6172.8-117.9172.7-178.7-166.20.4118.6
374Y34.1Very low33.5Very low190 Ų190142.1 Ų142.175%0.74573%0.731SS**  trans75.2140.3158.6-74.7-64.5000123.2
375S32.5Very low33.4Very low98 Ų98139.8 Ų139.869%0.68572%0.717SS**  trans-131.4168.9-176.954.30000108.9
376K35.5Very low33.5Very low176 Ų176140.4 Ų140.477%0.76572%0.716SS**  trans163.2136.9131.1-93.7-179.7164.5-1650113.8
377L32Very low33.7Very low132 Ų132138.5 Ų138.569%0.69171%0.71SS**  trans61.1159.9132.3-56.6176.3000118.6
378D34.5Very low33.9Very low111 Ų111138.5 Ų138.559%0.59471%0.707SS**  cis-152.5133.72.6-115.5-7.9000108.7
379N31.6Very low34.5Very low119 Ų119136.3 Ų136.364%0.63671%0.706SS**  85.7156.599.3-77.3-16.1000118.7
380F32.9Very low34.6Very low192 Ų192135.1 Ų135.184%0.84271%0.708SS**  trans70.6145171.4-58.7-79.9000119.2
381V32.7Very low34.7Very low123 Ų123138.9 Ų138.975%0.74571%0.713SS**  cis-173.9145-45.9130.70000106.5
382P39.4Very low34.9Very low110 Ų110140 Ų14071%0.71471%0.712SS**  trans-88.7178.2-17338.2-38.8000112.4
383V31.6Very low34.5Very low122 Ų122139.7 Ų139.774%0.73971%0.708SS**  trans-171.5120147.71260000114.1
384K34.4Very low34.8Very low157 Ų157136.7 Ų136.768%0.68371%0.707SS**  trans69.3154.3142.1-63.4-179.8160.5-123.30120.8
385E34.4Very low34.8Very low114 Ų114137.2 Ų137.253%0.53371%0.714SS.*  cis-163.7161.5-8.4-117.9164.4-175.600115
386H35.3Very low35.1Very low133 Ų133137.4 Ų137.462%0.61671%0.713SS**  trans57.2152.1139.3-68.1-20.5000122.9
387H35.8Very low35.2Very low155 Ų155140 Ų14072%0.71872%0.718SS**  cis-160.4-171.7-25.6-123-16.6000111.1
388P37.3Very low35.5Very low108 Ų108141.3 Ų141.370%0.70173%0.725SS**  trans-123.4-137.5-134.746.1-24.3000115.2
389P42.2Very low35.6Very low110 Ų110146.6 Ų146.671%0.71474%0.737SS**  -134.9-155.1-128.741.2-16.7000115.9
390S35.3Very low36.2Very low104 Ų104145.3 Ų145.373%0.72774%0.735SS**  trans91.9158.4167.5-31.80000115.6
391R33.2Very low36.5Very low222 Ų222144.9 Ų144.984%0.83874%0.736SS**  cis-164.2-179.34.6-142.1175.7-163.5-1705.6111.1
392I37Very low36.6Very low136 Ų136146.2 Ų146.270%0.69774%0.738SS**  trans74.2108.5157.8-67.4155.8000114.6
393T32.1Very low36.5Very low112 Ų112148 Ų14869%0.68775%0.747SS**  62.6145.681.777.30000114.3
394D37.1Very low36.6Very low146 Ų146147.5 Ų147.578%0.78175%0.749SS**  cis-147.2-177.427.3-89.9-72.6000115.3
395F33.5Very low36.7Very low201 Ų201145.4 Ų145.488%0.88275%0.754SS**  trans-94.8-168.2171.1-77.4-88000111.6
396P40Very low36.6Very low103 Ų103150 Ų15067%0.66977%0.772SS**  cis-136.4176.4-11.326.1-1.9000117.1
397R36Very low36.8Very low231 Ų231152.1 Ų152.187%0.87278%0.783SS**  trans65.2149.1154.5-75.5171.9-172.3172.32.5117.7
398D39.3Very low36.8Very low158 Ų158150.2 Ų150.285%0.84578%0.784SS**  cis-149.4-165.845.2-124-31000116.7
399R35.9Very low36.6Very low223 Ų223151.1 Ų151.184%0.84279%0.79SS**  trans-139.9-175-173.8-130.2-168.3170.3-149.40.6109.9
400P44.9Very low36.3Very low92 Ų92150.4 Ų150.460%0.59779%0.794SS**  cis-129.7-163.6-23.442.1-25.3000112.5
401Q38.9Very low36.5Very low182 Ų182153 Ų15385%0.8580%0.798SS**  trans-167.8169.2135.3-92.8-80.3-2.200108.4
402L34.3Very low36.6Very low151 Ų151146.9 Ų146.979%0.79179%0.787SS**  trans-125.5147.1-167.8-61.5108.9000115.5
403T37.3Very low36.7Very low148 Ų148145.3 Ų145.391%0.90879%0.785SS**  trans-141.4162.6140.953.10000109
404S33.4Very low37Very low112 Ų112146 Ų14678%0.78379%0.792SS**  trans-130.9148.2-167.657.40000114.7
405S38.1Very low36.8Very low112 Ų112150.8 Ų150.878%0.78380%0.799SS**  trans-143.5150154.566.10000108.9
406F31Very low37.1Very low210 Ų210143.7 Ų143.792%0.92178%0.782SS**  trans-85.3130.2-172.4-87.6-111.2000111.9
407Q39.2Very low36.6Very low178 Ų178143.4 Ų143.483%0.83278%0.78SS**  trans-124.9145.3158-78.5-171-3500109.5
408P35.8Very low36.7Very low116 Ų116137.6 Ų137.675%0.75377%0.773SS**PPolyproline II helixtrans-66.3150.1174.529.3-34.7000110.8A410P408-A410 PolarHBondContact O-N 3.35Å
409P34.8Very low36.4Very low126 Ų126134.8 Ų134.882%0.81876%0.757SS**PPolyproline II helixtrans-67.1125.3-172.926.7-34.5000111.7I411P409-I411 PolarHBondContact O-N 2.97Å
410A35Very low36.3Very low96 Ų96133.3 Ų133.379%0.79375%0.751SS**PPolyproline II helixtrans-63.4128.7171.500000110.3P408P408-A410 PolarHBondContact O-N 3.35Å
411I39.7Very low36Very low159 Ų159129.8 Ų129.882%0.81573%0.731SS**PPolyproline II helixtrans-62.6122.9177-59.1173000108.2P409P409-I411 PolarHBondContact O-N 2.97Å
412P34.7Very low36.3Very low92 Ų92125.2 Ų125.260%0.59772%0.718SS**PPolyproline II helixtrans-67.2139.5178.327.6-33.7000110.1
413P40.1Very low37.1Very low104 Ų104122 Ų12268%0.67570%0.704SS**PPolyproline II helixtrans-61.8144178.326.1-34.4000110.7R415P413-R415 PolarHBondContact O-N 2.86Å; P413-R415 VanDerWaalsContact O-N 3.12Å
414P38.2Very low38.2Very low126 Ų126116.4 Ų116.482%0.81867%0.666SS**  trans-63.7115.5-173.724.9-34000110.9G416P414-G416 PolarHBondContact O-N 2.73Å
415R32.5Very low39.2Very low246 Ų246115.1 Ų115.193%0.92866%0.657SS**  trans-8166.7179.4-58-171.6-164.8-147.75.4111P413P413-R415 PolarHBondContact O-N 2.86Å; P413-R415 VanDerWaalsContact O-N 3.12Å
416G38.8Very low40.1Very low52 Ų52112.9 Ų112.954%0.53664%0.639SS.*SBendtrans-141.6145.4175.700000111.8P414P414-G416 PolarHBondContact O-N 2.73Å
417P31.3Very low41.7Very low97 Ų97109.4 Ų109.463%0.6363%0.625SS**  trans-64144.5175.725.5-31.9000110.8R486P417-R486 PolarHBondContact O-NH2 3.21Å
418P37.1Very low43Very low110 Ų110101.6 Ų101.671%0.71459%0.589SS**  trans-55.7146.6-169.221.2-33.4000113.1R420 R486P418-R420 PolarHBondContact O-N 2.77Å; P418-R486 PolarHBondContact O-NH2 2.71Å
419I33.2Very low44.3Very low99 Ų99102.9 Ų102.951%0.50859%0.589SS.*  trans-8185.6-174.8-44.5-164.3000110.5N565I419-N565 HydrophobicContact CG2-CB 4.05Å; I419-N565 VanDerWaalsContact CG2-OD1 3.28Å; I419-N565 WeakPolarHBondContact CG2-OD1 3.02Å
420R34Very low45.5Very low192 Ų192100 Ų10073%0.72558%0.582SS**  trans-12582.7168.7-82.7-177.4163.3-156.7-6.6111.1D117 P418D117-R420 IonicContact OD1-CZ 3.44Å; D117-R420 IonicContact OD1-NH1 3.7Å; D117-R420 PolarHBondContact OD1-NH1 3.12Å; D117-R420 IonicContact OD1-NH2 3.62Å; P418-R420 PolarHBondContact O-N 2.77Å
421G38.4Very low47Very low17 Ų1796 Ų9618%0.17555%0.547CS..SBendtrans-96.3151.4141.500000107.5V423 R484G421-V423 PolarHBondContact O-N 2.97Å; G421-R484 PolarHBondContact O-NH2 3.17Å
422P44.5Very low47.8Very low87 Ų8793.3 Ų93.357%0.56554%0.54SS*.  trans-42.1130.9-168.3-30.931.1000115.1R484 T504P422-R484 PolarHBondContact O-NH1 2.84Å; P422-R484 PolarHBondContact O-NH2 2.75Å; P422-T504 HydrophobicContact CB-CG2 4.46Å; P422-T504 VanDerWaalsContact CB-OG1 3.27Å; P422-T504 WeakPolarHBondContact CB-OG1 3.23Å; P422-T504 WeakPolarHBondContact CD-OG1 3.37Å; P422-T504 WeakPolarHBondContact CG-OG1 3.48Å; P422-T504 WeakPolarHBondContact O-CG2 3.44Å
423V52.6Low48.8Very low82 Ų8293.9 Ų93.950%0.49754%0.538SS..  trans-79.2127.8175.8-178.70000106.8G421 S425G421-V423 PolarHBondContact O-N 2.97Å; V423-S425 PolarHBondContact O-N 3.06Å; V423-S425 VanDerWaalsContact O-N 3.09Å
424W58.9Low49.9Very low32 Ų3288.9 Ų88.912%0.12151%0.506CS..  trans-66.3109165.7178.488.7000107.3V426 M434 I437 D440 P441 P593W424-V426 HydrophobicContact CH2-CB 4.28Å; W424-V426 WeakPolarHBondContact CH2-O 3.39Å; W424-V426 HydrophobicContact CZ2-CB 3.67Å; W424-V426 HydrophobicContact CZ2-CG1 4.42Å; W424-V426 WeakPolarHBondContact CZ2-O 3.41Å; W424-M434 HydrophobicContact CH2-CE 3.8Å; W424-M434 HydrophobicContact CZ3-CB 4.35Å; W424-M434 HydrophobicContact CZ3-CE 4.36Å; W424-I437 HydrophobicContact CE3-CG1 4.27Å; W424-I437 HydrophobicContact CZ3-CG1 4.44Å; W424-D440 HydrophobicContact CG-CB 4.38Å; W424-D440 PolarHBondContact NE1-OD2 2.98Å; W424-P441 VanDerWaalsContact CE2-CD 3.47Å; W424-P441 HydrophobicContact CH2-CG 4.08Å; W424-P441 HydrophobicContact CZ2-CG 3.92Å; W424-P593 HydrophobicContact CZ2-CG 4.06Å
425S55Low50.8Low84 Ų8484.6 Ų84.659%0.58748%0.477SS*.  trans-125.334.2-16970.60000112.2V423 E427V423-S425 PolarHBondContact O-N 3.06Å; V423-S425 VanDerWaalsContact O-N 3.09Å; S425-E427 PolarHBondContact O-N 2.64Å
426V58.3Low52.4Low66 Ų6678.5 Ų78.540%0.446%0.463SS..  trans-87.2102.8176.6179.40000107.8W424W424-V426 HydrophobicContact CH2-CB 4.28Å; W424-V426 WeakPolarHBondContact CH2-O 3.39Å; W424-V426 HydrophobicContact CZ2-CB 3.67Å; W424-V426 HydrophobicContact CZ2-CG1 4.42Å; W424-V426 WeakPolarHBondContact CZ2-O 3.41Å
427E63.5Low54.3Low137 Ų13776.1 Ų76.164%0.6444%0.438SS*.  trans-66.7139.8174.6-50.4-161.1153.900110.2S425 V435S425-E427 PolarHBondContact O-N 2.64Å; E427-V435 HydrophobicContact CG-CG2 4.1Å
428I66Low56.7Low13 Ų1371.9 Ų71.97%0.06741%0.412CS..  trans-107.2121.2168.8-62.8-166.9000107.2G430 F431 M434 F583 P593 N595I428-G430 PolarHBondContact O-N 3.05Å; I428-F431 HydrophobicContact CB-CB 4.3Å; I428-F431 HydrophobicContact CG2-CB 4.46Å; I428-F431 WeakPolarHBondContact O-CA 3.33Å; I428-F431 WeakPolarHBondContact O-CB 3.32Å; I428-F431 PolarHBondContact O-N 3.46Å; I428-M434 HydrophobicContact CB-SD 4.24Å; I428-M434 HydrophobicContact CD1-CE 3.57Å; I428-M434 HydrophobicContact CD1-SD 3.92Å; I428-M434 HydrophobicContact CG1-CE 4.11Å; I428-M434 HydrophobicContact CG1-SD 4.23Å; I428-F583 HydrophobicContact CD1-CD1 4.01Å; I428-F583 HydrophobicContact CD1-CE1 4.1Å; I428-P593 HydrophobicContact CD1-CB 4.38Å; I428-P593 HydrophobicContact CD1-CG 3.98Å; I428-N595 HydrophobicContact CG2-CB 3.81Å; I428-N595 VanDerWaalsContact CG2-ND2 3.31Å; I428-N595 WeakPolarHBondContact CG2-ND2 3.28Å
429N63.5Low59Low143 Ų14366.8 Ų66.877%0.76538%0.379SS*.THydrogen-bonded Turntrans-52.3126-177.5-63.420.4000111.1N595N429-N595 PolarHBondContact O-ND2 3.38Å
430G60Low61.7Low65 Ų6562.8 Ų62.867%0.6736%0.358SS*.THydrogen-bonded Turntrans83.88.3-174.300000115.4I428I428-G430 PolarHBondContact O-N 3.05Å
431F65.8Low64.4Low13 Ų1353.7 Ų53.76%0.05732%0.324CS..  trans-134.163.9-176.5-120.2-77000115.6I428 D433 M434 L574 W577 I597I428-F431 HydrophobicContact CB-CB 4.3Å; I428-F431 HydrophobicContact CG2-CB 4.46Å; I428-F431 WeakPolarHBondContact O-CA 3.33Å; I428-F431 WeakPolarHBondContact O-CB 3.32Å; I428-F431 PolarHBondContact O-N 3.46Å; F431-D433 HydrophobicContact CD1-CB 4.21Å; F431-D433 HydrophobicContact CE1-CB 4.19Å; F431-D433 PolarHBondContact O-N 3.15Å; F431-M434 HydrophobicContact CB-CG 4.35Å; F431-M434 HydrophobicContact CB-SD 3.96Å; F431-M434 HydrophobicContact CD1-CG 3.83Å; F431-M434 HydrophobicContact CD1-SD 4.01Å; F431-M434 HydrophobicContact CG-CG 4.42Å; F431-M434 HydrophobicContact CG-SD 4.11Å; F431-M434 PolarHBondContact O-N 2.87Å; F431-L574 HydrophobicContact CD1-CD2 4.44Å; F431-L574 HydrophobicContact CE1-CD2 4.26Å; F431-W577 HydrophobicContact CD2-CH2 4.39Å; F431-W577 HydrophobicContact CD2-CZ3 4.09Å; F431-W577 AromaticContact CE1-CZ3 3.89Å; F431-W577 HydrophobicContact CE1-CZ3 3.89Å; F431-W577 AromaticContact CE2-CH2 3.42Å; F431-W577 HydrophobicContact CE2-CH2 3.42Å; F431-W577 VanDerWaalsContact CE2-CH2 3.42Å; F431-W577 AromaticContact CE2-CZ3 3.39Å; F431-W577 HydrophobicContact CE2-CZ3 3.39Å; F431-W577 HydrophobicContact CZ-CE3 4.43Å; F431-W577 AromaticContact CZ-CH2 3.49Å; F431-W577 HydrophobicContact CZ-CH2 3.49Å; F431-W577 VanDerWaalsContact CZ-CH2 3.49Å; F431-W577 AromaticContact CZ-CZ3 3.27Å; F431-W577 HydrophobicContact CZ-CZ3 3.27Å; F431-I597 HydrophobicContact CD2-CD1 3.77Å; F431-I597 HydrophobicContact CD2-CG1 4.03Å; F431-I597 HydrophobicContact CE2-CD1 3.88Å; F431-I597 HydrophobicContact CE2-CG1 3.99Å
432P58Low66.9Low102 Ų10253.1 Ų53.166%0.66232%0.317SS*.G310 helixtrans-61.2-26.6-17926.3-35.4000114M434 V435P432-M434 PolarHBondContact O-N 3Å; P432-V435 WeakPolarHBondContact O-CG2 3.32Å; P432-V435 PolarHBondContact O-N 3.45Å
433D55.9Low69.2Low104 Ų10449 Ų4956%0.55629%0.29SS*.G310 helixtrans-57.3-20.6176.1-68-9.1000113.9F431F431-D433 HydrophobicContact CD1-CB 4.21Å; F431-D433 HydrophobicContact CE1-CB 4.19Å; F431-D433 PolarHBondContact O-N 3.15Å
434M62.8Low71.2Confident0 Ų045.1 Ų45.10%027%0.266CS..G310 helixtrans-81.6-21.4-175.1-74.2179.469.100114.4W424 I428 F431 P432 N436 I437 P441 L574 F583W424-M434 HydrophobicContact CH2-CE 3.8Å; W424-M434 HydrophobicContact CZ3-CB 4.35Å; W424-M434 HydrophobicContact CZ3-CE 4.36Å; I428-M434 HydrophobicContact CB-SD 4.24Å; I428-M434 HydrophobicContact CD1-CE 3.57Å; I428-M434 HydrophobicContact CD1-SD 3.92Å; I428-M434 HydrophobicContact CG1-CE 4.11Å; I428-M434 HydrophobicContact CG1-SD 4.23Å; F431-M434 HydrophobicContact CB-CG 4.35Å; F431-M434 HydrophobicContact CB-SD 3.96Å; F431-M434 HydrophobicContact CD1-CG 3.83Å; F431-M434 HydrophobicContact CD1-SD 4.01Å; F431-M434 HydrophobicContact CG-CG 4.42Å; F431-M434 HydrophobicContact CG-SD 4.11Å; F431-M434 PolarHBondContact O-N 2.87Å; P432-M434 PolarHBondContact O-N 3Å; M434-N436 PolarHBondContact O-N 3.5Å; M434-I437 PolarHBondContact O-N 2.69Å; M434-P441 HydrophobicContact CE-CB 3.9Å; M434-P441 HydrophobicContact CE-CG 3.66Å; M434-L574 HydrophobicContact CG-CD1 3.85Å; M434-L574 HydrophobicContact CG-CD2 3.64Å; M434-L574 HydrophobicContact CG-CG 4.43Å; M434-L574 HydrophobicContact SD-CD2 4.04Å; M434-F583 HydrophobicContact CE-CD1 3.99Å; M434-F583 HydrophobicContact CE-CE1 3.35Å; M434-F583 HydrophobicContact CE-CZ 3.89Å; M434-F583 HydrophobicContact SD-CE1 3.67Å; M434-F583 HydrophobicContact SD-CZ 4.1Å
435V56.3Low72.9Confident36 Ų3644.2 Ų44.222%0.21827%0.265CS..THydrogen-bonded Turntrans-60.5-19.2-162178.40000114.2E427 P432E427-V435 HydrophobicContact CG-CG2 4.1Å; P432-V435 WeakPolarHBondContact O-CG2 3.32Å; P432-V435 PolarHBondContact O-N 3.45Å
436N66.9Low74.8Confident117 Ų11744.6 Ų44.663%0.62626%0.26SS*.THydrogen-bonded Turntrans-122.810.2-169.4-69.9-67.6000116.5M434 G438 P568M434-N436 PolarHBondContact O-N 3.5Å; N436-G438 PolarHBondContact O-N 2.95Å; N436-P568 WeakPolarHBondContact O-CG 3.32Å
437I79Confident76.4Confident3 Ų342.3 Ų42.32%0.01525%0.246CC..SBendtrans-71.5-14.8179.461.2166.3000114.3W424 M434 V439 P441 L444 I570 L574W424-I437 HydrophobicContact CE3-CG1 4.27Å; W424-I437 HydrophobicContact CZ3-CG1 4.44Å; M434-I437 PolarHBondContact O-N 2.69Å; I437-V439 HydrophobicContact CD1-CG1 4.36Å; I437-V439 WeakPolarHBondContact CD1-O 3.46Å; I437-V439 WeakPolarHBondContact CG1-O 3.16Å; I437-V439 PolarHBondContact O-N 3.47Å; I437-P441 HydrophobicContact CD1-CB 4.43Å; I437-L444 HydrophobicContact CD1-CD1 4.01Å; I437-I570 HydrophobicContact CG2-CG2 4.49Å; I437-L574 HydrophobicContact CG2-CD1 4.02Å
438G80.7Confident77.5Confident8 Ų838.5 Ų38.58%0.08223%0.232CC..SBendtrans71.29172.600000116.1N436 R484N436-G438 PolarHBondContact O-N 2.95Å; G438-R484 PolarHBondContact O-NH1 3.26Å
439V86.5Confident78.4Confident2 Ų244.5 Ų44.51%0.01226%0.259CS..SBendtrans-145.4149.417762.10000109.3I437 M443 L444 Q471 A482 L567I437-V439 HydrophobicContact CD1-CG1 4.36Å; I437-V439 WeakPolarHBondContact CD1-O 3.46Å; I437-V439 WeakPolarHBondContact CG1-O 3.16Å; I437-V439 PolarHBondContact O-N 3.47Å; V439-M443 HydrophobicContact CG2-CB 3.9Å; V439-M443 HydrophobicContact CG2-CG 4.45Å; V439-L444 HydrophobicContact CG1-CD1 4.32Å; V439-L444 HydrophobicContact CG1-CD2 4.07Å; V439-L444 HydrophobicContact CG1-CG 4.22Å; V439-Q471 HydrophobicContact CG2-CG 4.2Å; V439-A482 HydrophobicContact CG1-CB 4.45Å; V439-L567 HydrophobicContact CB-CD1 3.78Å; V439-L567 HydrophobicContact CG1-CD1 4.09Å
440D88.7Confident79.6Confident16 Ų1641.5 Ų41.59%0.08625%0.248CC..  trans-62.8130.3175.1-172.2-71.5000110.4W424 R442 M443 L589W424-D440 HydrophobicContact CG-CB 4.38Å; W424-D440 PolarHBondContact NE1-OD2 2.98Å; D440-R442 PolarHBondContact O-N 3.4Å; D440-R442 VanDerWaalsContact O-N 3.08Å; D440-R442 VanDerWaalsContact OD1-CB 3.22Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.42Å; D440-R442 IonicContact OD1-CZ 2.64Å; D440-R442 PolarHBondContact OD1-N 3.39Å; D440-R442 IonicContact OD1-NE 3.89Å; D440-R442 PolarHBondContact OD1-NE 3.09Å; D440-R442 IonicContact OD1-NH2 2.88Å; D440-R442 IonicContact OD2-CZ 3.66Å; D440-R442 IonicContact OD2-NE 2.67Å; D440-R442 PolarHBondContact OD2-NE 3.4Å; D440-R442 IonicContact OD2-NH2 3.69Å; D440-R442 PolarHBondContact OD2-NH2 3.04Å; D440-M443 HydrophobicContact CB-CG 4.22Å; D440-M443 WeakPolarHBondContact O-CB 3.37Å; D440-M443 PolarHBondContact O-N 3.49Å; D440-L589 HydrophobicContact CB-CD2 4.16Å
441P90.5Very high80.9Confident0 Ų040.7 Ų40.70%023%0.226CC..G310 helixtrans-62.6-21.5-173.627.9-38.5000113W424 M434 I437 M443 L444 A578 F583 P593W424-P441 VanDerWaalsContact CE2-CD 3.47Å; W424-P441 HydrophobicContact CH2-CG 4.08Å; W424-P441 HydrophobicContact CZ2-CG 3.92Å; M434-P441 HydrophobicContact CE-CB 3.9Å; M434-P441 HydrophobicContact CE-CG 3.66Å; I437-P441 HydrophobicContact CD1-CB 4.43Å; P441-M443 VanDerWaalsContact C-N 3.29Å; P441-M443 PolarHBondContact O-N 3.27Å; P441-L444 WeakPolarHBondContact O-CB 3.42Å; P441-L444 PolarHBondContact O-N 2.89Å; P441-A578 VanDerWaalsContact O-CB 3.24Å; P441-A578 WeakPolarHBondContact O-CB 3.36Å; P441-F583 HydrophobicContact CB-CB 4.35Å; P441-F583 HydrophobicContact CB-CD1 4.02Å; P441-F583 HydrophobicContact CB-CD2 3.72Å; P441-F583 HydrophobicContact CB-CE1 4.23Å; P441-F583 HydrophobicContact CB-CE2 3.94Å; P441-F583 HydrophobicContact CB-CG 3.76Å; P441-F583 HydrophobicContact CB-CZ 4.2Å; P441-F583 HydrophobicContact CG-CB 4.22Å; P441-F583 HydrophobicContact CG-CD1 3.91Å; P441-F583 HydrophobicContact CG-CD2 4.4Å; P441-F583 HydrophobicContact CG-CE1 4.38Å; P441-F583 HydrophobicContact CG-CG 3.92Å; P441-P593 HydrophobicContact CG-CB 4.2Å; P441-P593 HydrophobicContact CG-CG 4.35Å
442R91.8Very high82Confident6 Ų644.8 Ų44.82%0.02325%0.254CS..G310 helixtrans-70.5-26175-60.6168.7-77.4-165.4-1.2112.4D440 L444 S445 F583 G584 P586 N588 M591 A592 P593D440-R442 PolarHBondContact O-N 3.4Å; D440-R442 VanDerWaalsContact O-N 3.08Å; D440-R442 VanDerWaalsContact OD1-CB 3.22Å; D440-R442 WeakPolarHBondContact OD1-CB 3.17Å; D440-R442 WeakPolarHBondContact OD1-CG 3.42Å; D440-R442 IonicContact OD1-CZ 2.64Å; D440-R442 PolarHBondContact OD1-N 3.39Å; D440-R442 IonicContact OD1-NE 3.89Å; D440-R442 PolarHBondContact OD1-NE 3.09Å; D440-R442 IonicContact OD1-NH2 2.88Å; D440-R442 IonicContact OD2-CZ 3.66Å; D440-R442 IonicContact OD2-NE 2.67Å; D440-R442 PolarHBondContact OD2-NE 3.4Å; D440-R442 IonicContact OD2-NH2 3.69Å; D440-R442 PolarHBondContact OD2-NH2 3.04Å; R442-L444 PolarHBondContact O-N 2.9Å; R442-S445 VanDerWaalsContact O-CB 3.24Å; R442-S445 WeakPolarHBondContact O-CB 3.4Å; R442-S445 PolarHBondContact O-N 3.3Å; R442-S445 VanDerWaalsContact O-N 3.13Å; R442-S445 PolarHBondContact O-OG 3.12Å; R442-F583 VanDerWaalsContact CD-O 3.29Å; R442-F583 WeakPolarHBondContact CD-O 3.49Å; R442-F583 HydrophobicContact CG-CB 3.75Å; R442-F583 VanDerWaalsContact CG-O 3.3Å; R442-F583 WeakPolarHBondContact CG-O 3.44Å; R442-G584 WeakPolarHBondContact CG-O 2.99Å; R442-P586 HydrophobicContact CB-CB 4.19Å; R442-N588 PolarHBondContact NH1-O 3Å; R442-M591 VanDerWaalsContact CZ-O 3.3Å; R442-M591 PolarHBondContact NH1-O 2.93Å; R442-M591 PolarHBondContact NH2-O 3.44Å; R442-A592 PolarHBondContact NH1-O 3.1Å; R442-P593 HydrophobicContact CG-CB 4.3Å
443M92.8Very high83.6Confident0 Ų042.5 Ų42.50%024%0.239CC..G310 helixtrans-72.5-11.9173.5-61.5-62-63.600112.6V439 D440 P441 S445 V470 Q471 Y519 V528 P586 L589V439-M443 HydrophobicContact CG2-CB 3.9Å; V439-M443 HydrophobicContact CG2-CG 4.45Å; D440-M443 HydrophobicContact CB-CG 4.22Å; D440-M443 WeakPolarHBondContact O-CB 3.37Å; D440-M443 PolarHBondContact O-N 3.49Å; P441-M443 VanDerWaalsContact C-N 3.29Å; P441-M443 PolarHBondContact O-N 3.27Å; M443-S445 VanDerWaalsContact C-N 3.28Å; M443-V470 HydrophobicContact CE-CB 4.12Å; M443-V470 HydrophobicContact CE-CG1 3.49Å; M443-V470 VanDerWaalsContact CE-CG1 3.49Å; M443-V470 WeakPolarHBondContact O-CB 3.39Å; M443-V470 HydrophobicContact SD-CG1 4.17Å; M443-Q471 HydrophobicContact CB-CB 4.23Å; M443-Q471 WeakPolarHBondContact O-CB 3.09Å; M443-Q471 PolarHBondContact O-N 2.78Å; M443-Y519 HydrophobicContact CE-CD1 3.38Å; M443-Y519 HydrophobicContact CE-CD2 4.41Å; M443-Y519 HydrophobicContact CE-CE1 3.49Å; M443-Y519 VanDerWaalsContact CE-CE1 3.49Å; M443-Y519 HydrophobicContact CE-CE2 4.49Å; M443-Y519 HydrophobicContact CE-CG 3.91Å; M443-Y519 HydrophobicContact CG-CE2 4.42Å; M443-Y519 HydrophobicContact SD-CD1 4.48Å; M443-Y519 HydrophobicContact SD-CG 4.49Å; M443-V528 HydrophobicContact CE-CB 4.43Å; M443-V528 HydrophobicContact CE-CG1 4.18Å; M443-V528 HydrophobicContact CE-CG2 4.18Å; M443-P586 HydrophobicContact SD-CB 4.19Å; M443-L589 HydrophobicContact CG-CD2 4.29Å; M443-L589 HydrophobicContact SD-CD1 3.9Å; M443-L589 HydrophobicContact SD-CD2 4.26Å
444L93.9Very high85.1Confident0 Ų042.4 Ų42.40%023%0.231CC..G310 helixtrans-88.59.4170.3-56176.5000112.8I437 V439 P441 R442 R469 Q471 L473 I570 L575 A578I437-L444 HydrophobicContact CD1-CD1 4.01Å; V439-L444 HydrophobicContact CG1-CD1 4.32Å; V439-L444 HydrophobicContact CG1-CD2 4.07Å; V439-L444 HydrophobicContact CG1-CG 4.22Å; P441-L444 WeakPolarHBondContact O-CB 3.42Å; P441-L444 PolarHBondContact O-N 2.89Å; R442-L444 PolarHBondContact O-N 2.9Å; L444-R469 WeakPolarHBondContact O-CD 3.49Å; L444-R469 PolarHBondContact O-NH1 3.34Å; L444-Q471 HydrophobicContact CD2-CB 4.47Å; L444-L473 HydrophobicContact CD2-CD2 4.01Å; L444-I570 HydrophobicContact CD1-CD1 4.06Å; L444-I570 HydrophobicContact CD1-CG2 3.82Å; L444-I570 HydrophobicContact CD2-CD1 3.73Å; L444-L575 HydrophobicContact CB-CD2 4.41Å; L444-L575 HydrophobicContact CD1-CD2 4.47Å; L444-L575 HydrophobicContact CD2-CD2 4.46Å; L444-A578 HydrophobicContact CB-CB 3.65Å; L444-A578 WeakPolarHBondContact O-CB 3.5Å
445S94.3Very high86.5Confident13 Ų1349 Ų499%0.09126%0.256CS..SBendtrans-68.7154.1172.2-56.80000111.6R442 M443 R469 V470 A578R442-S445 VanDerWaalsContact O-CB 3.24Å; R442-S445 WeakPolarHBondContact O-CB 3.4Å; R442-S445 PolarHBondContact O-N 3.3Å; R442-S445 VanDerWaalsContact O-N 3.13Å; R442-S445 PolarHBondContact O-OG 3.12Å; M443-S445 VanDerWaalsContact C-N 3.28Å; S445-R469 VanDerWaalsContact O-CA 3.26Å; S445-R469 WeakPolarHBondContact O-CA 3.18Å; S445-R469 WeakPolarHBondContact O-CB 3.05Å; S445-V470 PolarHBondContact O-N 3.49Å; S445-V470 VanDerWaalsContact O-N 3.11Å; S445-A578 WeakPolarHBondContact CA-O 3.33Å; S445-A578 PolarHBondContact OG-O 2.84Å
446L94.7Very high88.2Confident92 Ų9248.3 Ų48.348%0.48225%0.251SS..EExtended strand (participates in β ladder)trans-70.1146.2172.8-67.6169.2000111D468 R469L446-D468 WeakPolarHBondContact CA-O 3.47Å; L446-R469 HydrophobicContact CD2-CG 4.44Å
447V92.9Very high89.3Confident19 Ų1945.7 Ų45.712%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-96145.8174.2-61.60000110.7H449 P450 D468 R469 V470 P533V447-H449 PolarHBondContact O-N 3.28Å; V447-P450 HydrophobicContact CG2-CB 4.15Å; V447-D468 PolarHBondContact N-O 3.14Å; V447-R469 VanDerWaalsContact CG1-C 3.48Å; V447-V470 HydrophobicContact CG1-CB 4.27Å; V447-V470 HydrophobicContact CG1-CG2 3.81Å; V447-P533 HydrophobicContact CB-CG 4.39Å; V447-P533 HydrophobicContact CG1-CG 3.67Å
448T87.2Confident89.8Confident56 Ų5646 Ų4634%0.34424%0.241SC..EExtended strand (participates in β ladder)trans-70.6-20.4-173.8630000114V617 N618T448-V617 HydrophobicContact CG2-CG1 3.61Å; T448-N618 HydrophobicContact CG2-CB 4.16Å; T448-N618 VanDerWaalsContact CG2-ND2 3.3Å; T448-N618 WeakPolarHBondContact CG2-ND2 3.3Å; T448-N618 PolarHBondContact OG1-ND2 2.77Å
449H85.1Confident90.1Very high139 Ų13953.3 Ų53.364%0.64428%0.278SS*.EExtended strand (participates in β ladder)trans-133.582.9175.8-52.3-56.7000108.5V447V447-H449 PolarHBondContact O-N 3.28Å
450P88.3Confident90.1Very high81 Ų8155.3 Ų55.353%0.52630%0.299SS..EExtended strand (participates in β ladder)trans-65.9138.7-177.929.4-36.6000110.6V447 D468V447-P450 HydrophobicContact CG2-CB 4.15Å; P450-D468 HydrophobicContact CB-CB 4.42Å
451K87.9Confident90.1Very high47 Ų4760.7 Ų60.720%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-81.3148.9174.6-65.4170.2-165.9161.50108.6L467 G524 H525 P533 T535K451-L467 HydrophobicContact CB-CB 3.85Å; K451-L467 HydrophobicContact CB-CD1 3.93Å; K451-L467 PolarHBondContact N-O 2.82Å; K451-G524 PolarHBondContact NZ-O 3.02Å; K451-H525 PolarHBondContact NZ-CD2 3.47Å; K451-H525 VanDerWaalsContact NZ-CD2 3.34Å; K451-P533 PolarHBondContact NZ-O 3.33Å; K451-T535 PolarHBondContact NZ-OG1 3.23Å
452P88Confident90.1Very high99 Ų9966.2 Ų66.264%0.64335%0.349SS*.EExtended strand (participates in β ladder)trans-58.8143.7174.225.7-34.4000110.1
453P90.7Very high90.2Very high55 Ų5567.6 Ų67.636%0.35736%0.355SS..EExtended strand (participates in β ladder)trans-54.5149.8175.4-2634.7000112.3T464 L465 L466P453-T464 HydrophobicContact CB-CG2 3.82Å; P453-L465 VanDerWaalsContact CA-O 3.28Å; P453-L465 WeakPolarHBondContact CA-O 3.21Å; P453-L466 HydrophobicContact CB-CD2 4.41Å; P453-L466 HydrophobicContact CG-CD2 4.28Å
454R89.1Confident90.2Very high102 Ų10271.2 Ų71.239%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-124.3164.7179.2-63.4-174.3179-177.5-0.8110.6L465 L467R454-L465 PolarHBondContact N-O 3.04Å; R454-L465 WeakPolarHBondContact O-CB 3.46Å; R454-L465 PolarHBondContact O-N 2.96Å; R454-L467 HydrophobicContact CG-CD1 4.17Å
455R91.8Very high90.2Very high137 Ų13771.4 Ų71.452%0.51738%0.379SS..EExtended strand (participates in β ladder)trans-83.4145.2164.5-67.1-177.4179.9-119.1-1.9109.6
456I91Very high90.3Very high23 Ų2372 Ų7212%0.11838%0.381CS..EExtended strand (participates in β ladder)trans-137.3137.9167.6-170.9170.9000109.5I458 Q462 F463 L465 I474 P523I456-I458 HydrophobicContact CD1-CD1 4.22Å; I456-I458 HydrophobicContact CD1-CG1 4.1Å; I456-I458 HydrophobicContact CG1-CG1 4.01Å; I456-I458 HydrophobicContact CG2-CD1 4.15Å; I456-I458 HydrophobicContact CG2-CG1 4.2Å; I456-Q462 WeakPolarHBondContact O-CA 3.41Å; I456-F463 HydrophobicContact CG2-CB 4.08Å; I456-F463 PolarHBondContact N-O 3.07Å; I456-F463 PolarHBondContact O-N 3.4Å; I456-L465 HydrophobicContact CB-CB 4.3Å; I456-L465 HydrophobicContact CB-CD2 4.49Å; I456-L465 HydrophobicContact CD1-CD2 4.48Å; I456-L465 HydrophobicContact CG2-CB 3.93Å; I456-L465 HydrophobicContact CG2-CD1 4.3Å; I456-I474 HydrophobicContact CG2-CG2 4.26Å; I456-P523 HydrophobicContact CD1-CB 3.69Å; I456-P523 HydrophobicContact CD1-CG 3.64Å
457T91.4Very high90.3Very high61 Ų6167.7 Ų67.737%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-98.7112.6173.1-55.80000109.2Q461T457-Q461 CarbonylContact C-O 3.57Å; T457-Q461 WeakPolarHBondContact CA-O 3.47Å
458I88.7Confident90.3Very high11 Ų1167.6 Ų67.66%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-115.9126.2176.1-53.8177.3000107.4I456 G460 Q461 F463 I474 V483 V564 V566I456-I458 HydrophobicContact CD1-CD1 4.22Å; I456-I458 HydrophobicContact CD1-CG1 4.1Å; I456-I458 HydrophobicContact CG1-CG1 4.01Å; I456-I458 HydrophobicContact CG2-CD1 4.15Å; I456-I458 HydrophobicContact CG2-CG1 4.2Å; I458-G460 PolarHBondContact O-N 3.48Å; I458-Q461 PolarHBondContact N-O 3.34Å; I458-Q461 PolarHBondContact O-N 2.88Å; I458-F463 HydrophobicContact CB-CD2 4.05Å; I458-F463 HydrophobicContact CB-CE2 4.01Å; I458-F463 HydrophobicContact CD1-CD2 4.33Å; I458-F463 HydrophobicContact CG1-CD2 4.27Å; I458-I474 HydrophobicContact CD1-CD1 3.95Å; I458-V483 HydrophobicContact CD1-CG1 4.3Å; I458-V483 HydrophobicContact CD1-CG2 4.28Å; I458-V564 HydrophobicContact CD1-CG2 4.41Å; I458-V564 HydrophobicContact CG1-CG2 4.35Å; I458-V564 HydrophobicContact CG2-CG2 4.18Å; I458-V566 HydrophobicContact CD1-CG2 4.05Å; I458-V566 HydrophobicContact CG2-CG2 4.23Å
459D86.7Confident90.7Very high160 Ų16065.7 Ų65.786%0.85634%0.344SS*.THydrogen-bonded Turntrans51.319.6-178.4-57.2-29.6000115.7
460G86.7Confident91.2Very high44 Ų4459.2 Ų59.245%0.45431%0.314SS..THydrogen-bonded Turntrans97.8-7.2-178.400000115.1I458I458-G460 PolarHBondContact O-N 3.48Å
461Q88.6Confident91.5Very high129 Ų12955.3 Ų55.360%0.60329%0.289SS*.EExtended strand (participates in β ladder)trans-94.9138.8172.9-64.9-178.9-2.800110.2T457 I458 F463T457-Q461 CarbonylContact C-O 3.57Å; T457-Q461 WeakPolarHBondContact CA-O 3.47Å; I458-Q461 PolarHBondContact N-O 3.34Å; I458-Q461 PolarHBondContact O-N 2.88Å; Q461-F463 HydrophobicContact CB-CD2 4.45Å; Q461-F463 HydrophobicContact CB-CE2 3.62Å; Q461-F463 HydrophobicContact CB-CZ 3.8Å; Q461-F463 WeakPolarHBondContact O-CD2 3.21Å
462Q91.3Very high91.9Very high116 Ų11653.1 Ų53.154%0.54228%0.279SS..EExtended strand (participates in β ladder)trans-86.8130.7173.3-71.7-167.73.700110.6I456I456-Q462 WeakPolarHBondContact O-CA 3.41Å
463F93.3Very high92.3Very high35 Ų3548.6 Ų48.615%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-122.5152.1174.4-60.3-84.5000110.7I456 I458 Q461 L465 I474 I476I456-F463 HydrophobicContact CG2-CB 4.08Å; I456-F463 PolarHBondContact N-O 3.07Å; I456-F463 PolarHBondContact O-N 3.4Å; I458-F463 HydrophobicContact CB-CD2 4.05Å; I458-F463 HydrophobicContact CB-CE2 4.01Å; I458-F463 HydrophobicContact CD1-CD2 4.33Å; I458-F463 HydrophobicContact CG1-CD2 4.27Å; Q461-F463 HydrophobicContact CB-CD2 4.45Å; Q461-F463 HydrophobicContact CB-CE2 3.62Å; Q461-F463 HydrophobicContact CB-CZ 3.8Å; Q461-F463 WeakPolarHBondContact O-CD2 3.21Å; F463-L465 PolarHBondContact O-N 3.12Å; F463-I474 HydrophobicContact CB-CB 4.26Å; F463-I474 HydrophobicContact CB-CG2 4Å; F463-I474 HydrophobicContact CD1-CD1 4.45Å; F463-I474 HydrophobicContact CG-CD1 4.28Å; F463-I476 HydrophobicContact CD1-CG1 4.34Å; F463-I476 HydrophobicContact CE1-CD1 4.37Å; F463-I476 HydrophobicContact CE1-CG1 3.93Å
464T93.8Very high92.5Very high76 Ų7646 Ų4647%0.46623%0.232SC..EExtended strand (participates in β ladder)trans-80.9113.3167-58.10000109P453 L466P453-T464 HydrophobicContact CB-CG2 3.82Å; T464-L466 HydrophobicContact CG2-CD2 4.12Å
465L94.1Very high92.7Very high5 Ų543 Ų433%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-83.4111.8175.4-172.669.5000109.6P453 R454 I456 F463 L467 P472 I474 P523P453-L465 VanDerWaalsContact CA-O 3.28Å; P453-L465 WeakPolarHBondContact CA-O 3.21Å; R454-L465 PolarHBondContact N-O 3.04Å; R454-L465 WeakPolarHBondContact O-CB 3.46Å; R454-L465 PolarHBondContact O-N 2.96Å; I456-L465 HydrophobicContact CB-CB 4.3Å; I456-L465 HydrophobicContact CB-CD2 4.49Å; I456-L465 HydrophobicContact CD1-CD2 4.48Å; I456-L465 HydrophobicContact CG2-CB 3.93Å; I456-L465 HydrophobicContact CG2-CD1 4.3Å; F463-L465 PolarHBondContact O-N 3.12Å; L465-L467 HydrophobicContact CD2-CD2 4.15Å; L465-L467 HydrophobicContact CG-CD2 4.08Å; L465-L467 HydrophobicContact CG-CG 4.47Å; L465-P472 HydrophobicContact CD1-CB 3.79Å; L465-P472 HydrophobicContact CG-CB 4.41Å; L465-I474 HydrophobicContact CD1-CG2 3.98Å; L465-P523 HydrophobicContact CD2-CB 4.04Å
466L95Very high92.7Very high25 Ų2539.8 Ų39.813%0.13122%0.222CC..EExtended strand (participates in β ladder)trans-85.9129.9177.2-54.9176.4000109.8P453 T464 L473P453-L466 HydrophobicContact CB-CD2 4.41Å; P453-L466 HydrophobicContact CG-CD2 4.28Å; T464-L466 HydrophobicContact CG2-CD2 4.12Å; L466-L473 HydrophobicContact CB-CB 4.25Å; L466-L473 PolarHBondContact N-O 3.35Å; L466-L473 PolarHBondContact O-N 3.14Å; L466-L473 VanDerWaalsContact O-N 3.07Å
467L94.4Very high92.6Very high1 Ų142 Ų421%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-122.931.2-176.1-59.4176.9000111.2K451 R454 L465 R469 P472K451-L467 HydrophobicContact CB-CB 3.85Å; K451-L467 HydrophobicContact CB-CD1 3.93Å; K451-L467 PolarHBondContact N-O 2.82Å; R454-L467 HydrophobicContact CG-CD1 4.17Å; L465-L467 HydrophobicContact CD2-CD2 4.15Å; L465-L467 HydrophobicContact CG-CD2 4.08Å; L465-L467 HydrophobicContact CG-CG 4.47Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-P472 HydrophobicContact CD2-CB 3.92Å; L467-P472 HydrophobicContact CD2-CG 4Å
468D94.1Very high92.4Very high18 Ų1846.9 Ų46.910%0.09627%0.274CS..EExtended strand (participates in β ladder)trans-80.9-12174.568.2-51000113.2L446 V447 P450L446-D468 WeakPolarHBondContact CA-O 3.47Å; V447-D468 PolarHBondContact N-O 3.14Å; P450-D468 HydrophobicContact CB-CB 4.42Å
469R95.4Very high92.4Very high16 Ų1654 Ų546%0.0630%0.301CS..EExtended strand (participates in β ladder)trans-127.3163.3-170-53.3-119.2174.3-169.71.1111.4L444 S445 L446 V447 L467 Q471 L473 H525 L575L444-R469 WeakPolarHBondContact O-CD 3.49Å; L444-R469 PolarHBondContact O-NH1 3.34Å; S445-R469 VanDerWaalsContact O-CA 3.26Å; S445-R469 WeakPolarHBondContact O-CA 3.18Å; S445-R469 WeakPolarHBondContact O-CB 3.05Å; L446-R469 HydrophobicContact CD2-CG 4.44Å; V447-R469 VanDerWaalsContact CG1-C 3.48Å; L467-R469 VanDerWaalsContact C-N 3.32Å; R469-Q471 WeakPolarHBondContact CB-O 3.29Å; R469-L473 HydrophobicContact CB-CD1 4.37Å; R469-L473 HydrophobicContact CG-CD1 3.76Å; R469-L473 HydrophobicContact CG-CG 4.4Å; R469-H525 PolarHBondContact O-CE1 2.85Å; R469-H525 PolarHBondContact O-ND1 3.13Å; R469-H525 VanDerWaalsContact O-ND1 3.08Å; R469-L575 PolarHBondContact NH1-O 3.45Å
470V95.5Very high92.7Very high2 Ų247.2 Ų47.21%0.01226%0.264CS..SBendtrans-62.4-51.5-179.7-165.30000110.2M443 S445 V447 H525 V528 G531 P586M443-V470 HydrophobicContact CE-CB 4.12Å; M443-V470 HydrophobicContact CE-CG1 3.49Å; M443-V470 VanDerWaalsContact CE-CG1 3.49Å; M443-V470 WeakPolarHBondContact O-CB 3.39Å; M443-V470 HydrophobicContact SD-CG1 4.17Å; S445-V470 PolarHBondContact O-N 3.49Å; S445-V470 VanDerWaalsContact O-N 3.11Å; V447-V470 HydrophobicContact CG1-CB 4.27Å; V447-V470 HydrophobicContact CG1-CG2 3.81Å; V470-H525 PolarHBondContact O-ND1 2.91Å; V470-V528 HydrophobicContact CG1-CB 4.35Å; V470-V528 HydrophobicContact CG1-CG1 3.44Å; V470-V528 VanDerWaalsContact CG1-CG1 3.44Å; V470-V528 HydrophobicContact CG1-CG2 3.94Å; V470-G531 WeakPolarHBondContact CG1-O 3.34Å; V470-P586 HydrophobicContact CG2-CG 4.19Å
471Q94.9Very high93.1Very high0 Ų046.2 Ų46.20%025%0.247CC..SBendtrans-80.4126.3168.3-170.370.256.800110.6V439 M443 L444 R469 A482 V483 Y519 G521V439-Q471 HydrophobicContact CG2-CG 4.2Å; M443-Q471 HydrophobicContact CB-CB 4.23Å; M443-Q471 WeakPolarHBondContact O-CB 3.09Å; M443-Q471 PolarHBondContact O-N 2.78Å; L444-Q471 HydrophobicContact CD2-CB 4.47Å; R469-Q471 WeakPolarHBondContact CB-O 3.29Å; Q471-A482 HydrophobicContact CG-CB 3.84Å; Q471-V483 PolarHBondContact NE2-O 2.8Å; Q471-Y519 PolarHBondContact OE1-OH 3.18Å; Q471-Y519 VanDerWaalsContact OE1-OH 3.05Å; Q471-G521 PolarHBondContact NE2-O 3.34Å
472P95.6Very high93.3Very high0 Ų040 Ų400%022%0.219CC..  trans-59.6142.9173.6-25.735.5000113.2L465 L467 V483 P523 H525L465-P472 HydrophobicContact CD1-CB 3.79Å; L465-P472 HydrophobicContact CG-CB 4.41Å; L467-P472 HydrophobicContact CD2-CB 3.92Å; L467-P472 HydrophobicContact CD2-CG 4Å; P472-V483 PolarHBondContact O-N 2.95Å; P472-P523 VanDerWaalsContact CG-O 3.3Å; P472-P523 WeakPolarHBondContact CG-O 3.32Å; P472-H525 HydrophobicContact CG-CB 3.72Å
473L96.4Very high93.4Very high4 Ų434.5 Ų34.52%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-122.6157.2-178.6-50.3178.6000111.8L444 L466 R469 I480 H481 A482 I570 L575L444-L473 HydrophobicContact CD2-CD2 4.01Å; L466-L473 HydrophobicContact CB-CB 4.25Å; L466-L473 PolarHBondContact N-O 3.35Å; L466-L473 PolarHBondContact O-N 3.14Å; L466-L473 VanDerWaalsContact O-N 3.07Å; R469-L473 HydrophobicContact CB-CD1 4.37Å; R469-L473 HydrophobicContact CG-CD1 3.76Å; R469-L473 HydrophobicContact CG-CG 4.4Å; L473-I480 HydrophobicContact CB-CG2 4.08Å; L473-I480 HydrophobicContact CD1-CG2 3.86Å; L473-I480 HydrophobicContact CG-CG2 4.4Å; L473-H481 CarbonylContact C-O 3.51Å; L473-H481 VanDerWaalsContact CA-O 3.27Å; L473-H481 WeakPolarHBondContact CA-O 3.45Å; L473-A482 HydrophobicContact CD2-CB 3.77Å; L473-I570 HydrophobicContact CD2-CD1 4.16Å; L473-L575 HydrophobicContact CD1-CD2 4.04Å
474I95.7Very high93.3Very high0 Ų033.3 Ų33.30%019%0.187CC..EExtended strand (participates in β ladder)trans-132.8156.5167.160.4178000110.1I456 I458 F463 L465 I476 H481 V483 V566I456-I474 HydrophobicContact CG2-CG2 4.26Å; I458-I474 HydrophobicContact CD1-CD1 3.95Å; F463-I474 HydrophobicContact CB-CB 4.26Å; F463-I474 HydrophobicContact CB-CG2 4Å; F463-I474 HydrophobicContact CD1-CD1 4.45Å; F463-I474 HydrophobicContact CG-CD1 4.28Å; L465-I474 HydrophobicContact CD1-CG2 3.98Å; I474-I476 HydrophobicContact CD1-CD1 3.98Å; I474-I476 HydrophobicContact CD1-CG1 4.18Å; I474-I476 HydrophobicContact CG1-CD1 4.5Å; I474-I476 HydrophobicContact CG1-CG1 4.33Å; I474-H481 HydrophobicContact CG1-CB 4.08Å; I474-H481 PolarHBondContact N-O 3.22Å; I474-H481 PolarHBondContact O-N 2.88Å; I474-V483 HydrophobicContact CB-CG2 4.3Å; I474-V483 HydrophobicContact CD1-CG2 3.74Å; I474-V483 HydrophobicContact CG1-CG2 3.72Å; I474-V483 HydrophobicContact CG2-CG2 3.78Å; I474-V566 HydrophobicContact CD1-CG1 4.04Å; I474-V566 HydrophobicContact CD1-CG2 3.89Å
475A93.3Very high93.2Very high41 Ų4130 Ų3034%0.33917%0.166SC..EExtended strand (participates in β ladder)trans-99.2135.8169.100000110.5R479 I480A475-R479 WeakPolarHBondContact CA-O 3.41Å; A475-I480 HydrophobicContact CB-CD1 3.94Å
476I90.9Very high93Very high68 Ų6833.3 Ų33.335%0.34918%0.178SC..EExtended strand (participates in β ladder)trans-13095173.8-54-176.3000107F463 I474 R479 V566F463-I476 HydrophobicContact CD1-CG1 4.34Å; F463-I476 HydrophobicContact CE1-CD1 4.37Å; F463-I476 HydrophobicContact CE1-CG1 3.93Å; I474-I476 HydrophobicContact CD1-CD1 3.98Å; I474-I476 HydrophobicContact CD1-CG1 4.18Å; I474-I476 HydrophobicContact CG1-CD1 4.5Å; I474-I476 HydrophobicContact CG1-CG1 4.33Å; I476-R479 PolarHBondContact N-O 3.42Å; I476-R479 PolarHBondContact O-N 2.88Å; I476-V566 HydrophobicContact CD1-CG1 4.02Å
477G88.4Confident92.7Very high69 Ų6933.6 Ų33.671%0.71118%0.182SC*.THydrogen-bonded Turntrans58.3-142.1-161.500000110.9R479G477-R479 PolarHBondContact O-N 3.01Å
478D86.8Confident92.2Very high165 Ų16541.2 Ų41.288%0.88222%0.218SC*.THydrogen-bonded Turntrans-736.4179.3-52.1-44.3000114.3
479R89.9Confident92Very high161 Ų16145 Ų4561%0.60823%0.234SC*.EExtended strand (participates in β ladder)trans-110.5133.7-174.5-65.7-176.6179.8-141.1-0.4111.3A475 I476 G477 H481 P569A475-R479 WeakPolarHBondContact CA-O 3.41Å; I476-R479 PolarHBondContact N-O 3.42Å; I476-R479 PolarHBondContact O-N 2.88Å; G477-R479 PolarHBondContact O-N 3.01Å; R479-H481 PolarHBondContact O-CD2 2.78Å; R479-P569 HydrophobicContact CB-CB 4.28Å; R479-P569 HydrophobicContact CG-CB 4.46Å
480I93.4Very high91.9Very high17 Ų1744.3 Ų44.39%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-95.3132.7175.4-57.5-59000109.3L473 A475 I570 L575L473-I480 HydrophobicContact CB-CG2 4.08Å; L473-I480 HydrophobicContact CD1-CG2 3.86Å; L473-I480 HydrophobicContact CG-CG2 4.4Å; A475-I480 HydrophobicContact CB-CD1 3.94Å; I480-I570 PolarHBondContact O-N 3.27Å; I480-L575 HydrophobicContact CB-CD1 3.79Å; I480-L575 HydrophobicContact CG1-CD1 4.19Å; I480-L575 HydrophobicContact CG2-CD1 3.79Å
481H93.6Very high91.8Very high22 Ų2245.9 Ų45.910%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-125.8142.3-179.7-67-108.9000109.8L473 I474 R479 V566 L567L473-H481 CarbonylContact C-O 3.51Å; L473-H481 VanDerWaalsContact CA-O 3.27Å; L473-H481 WeakPolarHBondContact CA-O 3.45Å; I474-H481 HydrophobicContact CG1-CB 4.08Å; I474-H481 PolarHBondContact N-O 3.22Å; I474-H481 PolarHBondContact O-N 2.88Å; R479-H481 PolarHBondContact O-CD2 2.78Å; H481-V566 HydrophobicContact CB-CG1 3.64Å; H481-L567 PolarHBondContact ND1-O 2.78Å
482A93.6Very high91.7Very high0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-85.3145.8170.300000111.4V439 Q471 L473 L567 I570V439-A482 HydrophobicContact CG1-CB 4.45Å; Q471-A482 HydrophobicContact CG-CB 3.84Å; L473-A482 HydrophobicContact CD2-CB 3.77Å; A482-L567 HydrophobicContact CB-CB 4.31Å; A482-L567 HydrophobicContact CB-CD1 3.93Å; A482-L567 HydrophobicContact CB-CG 4.46Å; A482-L567 WeakPolarHBondContact O-CB 3.42Å; A482-L567 PolarHBondContact O-N 2.87Å; A482-I570 HydrophobicContact CB-CD1 3.82Å
483V93.3Very high91.7Very high0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-116.1118177-174.40000109.1I458 Q471 P472 I474 P523 V564I458-V483 HydrophobicContact CD1-CG1 4.3Å; I458-V483 HydrophobicContact CD1-CG2 4.28Å; Q471-V483 PolarHBondContact NE2-O 2.8Å; P472-V483 PolarHBondContact O-N 2.95Å; I474-V483 HydrophobicContact CB-CG2 4.3Å; I474-V483 HydrophobicContact CD1-CG2 3.74Å; I474-V483 HydrophobicContact CG1-CG2 3.72Å; I474-V483 HydrophobicContact CG2-CG2 3.78Å; V483-P523 HydrophobicContact CG1-CG 4.4Å; V483-V564 HydrophobicContact CG1-CB 3.99Å; V483-V564 HydrophobicContact CG1-CG1 4.26Å; V483-V564 HydrophobicContact CG1-CG2 4.37Å
484R91.6Very high91.6Very high10 Ų1046.4 Ų46.44%0.03824%0.244CC..EExtended strand (participates in β ladder)trans-119.7163.3175.170.9173.9-169.2-167.412.1111.1G421 P422 G438 G521 V564 N565 L567G421-R484 PolarHBondContact O-NH2 3.17Å; P422-R484 PolarHBondContact O-NH1 2.84Å; P422-R484 PolarHBondContact O-NH2 2.75Å; G438-R484 PolarHBondContact O-NH1 3.26Å; R484-G521 WeakPolarHBondContact CA-O 3.49Å; R484-V564 CarbonylContact O-C 3.57Å; R484-V564 WeakPolarHBondContact O-CA 3.38Å; R484-N565 HydrophobicContact CG-CB 4.41Å; R484-N565 PolarHBondContact N-O 2.6Å; R484-N565 VanDerWaalsContact N-O 3.1Å; R484-N565 PolarHBondContact O-N 3.27Å; R484-L567 HydrophobicContact CG-CD1 4.3Å; R484-L567 HydrophobicContact CG-CD2 4.23Å; R484-L567 HydrophobicContact CG-CG 4.32Å
485F92Very high91.3Very high5 Ų549.5 Ų49.52%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-65.2157.6173.1-75.3-60.1000112.7P523 E526 P561 V564 N565F485-P523 HydrophobicContact CE1-CG 4.48Å; F485-E526 HydrophobicContact CE2-CB 4.14Å; F485-E526 HydrophobicContact CE2-CG 4.15Å; F485-E526 HydrophobicContact CZ-CB 4.35Å; F485-E526 HydrophobicContact CZ-CG 3.88Å; F485-P561 HydrophobicContact CB-CB 3.96Å; F485-P561 HydrophobicContact CB-CG 4.34Å; F485-P561 HydrophobicContact CD1-CB 3.82Å; F485-P561 HydrophobicContact CD1-CG 4.03Å; F485-P561 HydrophobicContact CD2-CG 4.13Å; F485-P561 HydrophobicContact CE1-CB 4.46Å; F485-P561 HydrophobicContact CE1-CG 4.33Å; F485-P561 HydrophobicContact CE2-CG 4.41Å; F485-P561 HydrophobicContact CG-CB 3.9Å; F485-P561 HydrophobicContact CG-CG 3.92Å; F485-V564 HydrophobicContact CD1-CG1 4.31Å; F485-N565 PolarHBondContact O-ND2 2.89Å
486R89.7Confident91.1Very high75 Ų7550.6 Ų50.628%0.28328%0.276SS..  trans-109.186.2170.8-172.6-175.2-179106.3-2.8109.7P417 P418 N563 N565P417-R486 PolarHBondContact O-NH2 3.21Å; P418-R486 PolarHBondContact O-NH2 2.71Å; R486-N563 HydrophobicContact CB-CB 3.84Å; R486-N563 HydrophobicContact CG-CB 4.48Å; R486-N563 PolarHBondContact N-O 3.03Å; R486-N565 WeakPolarHBondContact CA-ND2 3.39Å; R486-N565 VanDerWaalsContact CB-ND2 3.31Å; R486-N565 WeakPolarHBondContact CB-ND2 3.38Å; R486-N565 WeakPolarHBondContact CD-OD1 3.31Å; R486-N565 WeakPolarHBondContact CG-OD1 3.49Å; R486-N565 PolarHBondContact NH1-OD1 3.06Å; R486-N565 VanDerWaalsContact NH1-OD1 3.08Å
487C87.5Confident91.2Very high31 Ų3152.7 Ų52.721%0.20928%0.284CS..  trans-145.5164.7171.355.70000109.6P561C487-P561 HydrophobicContact CB-CB 4.08Å
488E85.4Confident91.4Very high162 Ų16253.7 Ų53.776%0.75728%0.279SS*.SBendtrans-79.5-47.8167.3-173.7178179.900109.8P502 G503E488-P502 CarbonylContact O-C 3.54Å; E488-P502 WeakPolarHBondContact O-CA 3.49Å; E488-G503 PolarHBondContact O-N 3.24Å
489F90.1Very high91.8Very high98 Ų9847.1 Ų47.143%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-148168.2167.161.2-85.9000110N500 I501F489-N500 HydrophobicContact CD2-CB 4.23Å; F489-I501 CarbonylContact C-O 3.59Å; F489-I501 WeakPolarHBondContact CA-O 3.48Å; F489-I501 WeakPolarHBondContact CB-O 3.46Å
490A91.6Very high91.9Very high1 Ų143.8 Ų43.81%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-127.7140.2161.800000109.5I501 L520 F556 P561A490-I501 PolarHBondContact N-O 3.5Å; A490-I501 PolarHBondContact O-N 2.79Å; A490-L520 HydrophobicContact CB-CD1 3.71Å; A490-L520 HydrophobicContact CB-CD2 4.32Å; A490-F556 HydrophobicContact CB-CD1 4.28Å; A490-F556 HydrophobicContact CB-CE1 4.09Å; A490-P561 HydrophobicContact CB-CG 4.21Å
491T94Very high91.9Very high34 Ų3443 Ų4321%0.20923%0.233CC..EExtended strand (participates in β ladder)trans-86.9126173.8-49.90000109.2F499 N500 V557T491-F499 WeakPolarHBondContact CA-O 3.31Å; T491-N500 WeakPolarHBondContact CB-OD1 3.45Å; T491-N500 WeakPolarHBondContact CG2-OD1 3.37Å; T491-N500 PolarHBondContact OG1-OD1 2.94Å; T491-V557 HydrophobicContact CG2-CB 4.4Å; T491-V557 PolarHBondContact O-N 2.92Å
492I93.9Very high91.7Very high0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-129.2129.1179.2-59.3-176.4000108I494 F499 I501 L520 L527 V554 K555 F556I492-I494 HydrophobicContact CB-CG1 4.5Å; I492-I494 HydrophobicContact CG2-CD1 4.24Å; I492-I494 HydrophobicContact CG2-CG1 3.72Å; I492-F499 PolarHBondContact N-O 2.76Å; I492-F499 PolarHBondContact O-N 3.29Å; I492-I501 HydrophobicContact CD1-CD1 4.26Å; I492-L520 HydrophobicContact CD1-CD2 3.77Å; I492-L527 HydrophobicContact CD1-CD1 4.12Å; I492-L527 HydrophobicContact CG2-CD2 4.42Å; I492-V554 HydrophobicContact CG2-CG1 3.62Å; I492-K555 WeakPolarHBondContact CA-O 3.45Å; I492-K555 WeakPolarHBondContact CG2-O 3.36Å; I492-F556 HydrophobicContact CD1-CD1 3.94Å; I492-F556 HydrophobicContact CD1-CE1 3.48Å; I492-F556 VanDerWaalsContact CD1-CE1 3.48Å; I492-F556 HydrophobicContact CD1-CE2 4.46Å; I492-F556 HydrophobicContact CD1-CZ 3.77Å; I492-F556 HydrophobicContact CG1-CD1 3.66Å; I492-F556 HydrophobicContact CG1-CE1 3.74Å; I492-F556 HydrophobicContact CG1-CG 4.29Å; I492-F556 HydrophobicContact CG1-CZ 4.41Å
493V94Very high91.4Very high15 Ų1543.8 Ų43.89%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-80.2127.7165.5167.40000108.2H497 C498 V554 K555 V557V493-H497 CarbonylContact C-O 3.56Å; V493-H497 VanDerWaalsContact CA-O 3.29Å; V493-H497 WeakPolarHBondContact CA-O 3.39Å; V493-C498 VanDerWaalsContact CG2-SG 3.58Å; V493-V554 VanDerWaalsContact O-CA 3.25Å; V493-V554 WeakPolarHBondContact O-CA 3.19Å; V493-K555 HydrophobicContact CB-CG 3.87Å; V493-K555 HydrophobicContact CG1-CG 4.43Å; V493-K555 PolarHBondContact N-O 3.07Å; V493-K555 PolarHBondContact O-N 3.16Å; V493-V557 HydrophobicContact CB-CG2 4.39Å; V493-V557 HydrophobicContact CG2-CG2 3.7Å
494I94.3Very high90.9Very high0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-132123.6175.4-55.3178000106.6I492 G496 H497 F499 I501 V509 I511 L527 V552 V554I492-I494 HydrophobicContact CB-CG1 4.5Å; I492-I494 HydrophobicContact CG2-CD1 4.24Å; I492-I494 HydrophobicContact CG2-CG1 3.72Å; I494-G496 PolarHBondContact O-N 3.22Å; I494-H497 PolarHBondContact N-O 2.69Å; I494-H497 PolarHBondContact O-N 2.89Å; I494-F499 HydrophobicContact CB-CD2 3.85Å; I494-F499 HydrophobicContact CB-CE2 3.95Å; I494-F499 HydrophobicContact CD1-CD2 4.18Å; I494-F499 HydrophobicContact CG1-CD2 4.14Å; I494-I501 HydrophobicContact CD1-CD1 4.42Å; I494-V509 HydrophobicContact CD1-CG1 4.22Å; I494-I511 HydrophobicContact CG2-CD1 3.9Å; I494-I511 HydrophobicContact CG2-CG1 3.98Å; I494-L527 HydrophobicContact CD1-CD2 4.06Å; I494-V552 HydrophobicContact CG2-CG1 3.61Å; I494-V554 HydrophobicContact CB-CG2 4.38Å; I494-V554 HydrophobicContact CG1-CG1 4.38Å; I494-V554 HydrophobicContact CG1-CG2 4.19Å; I494-V554 HydrophobicContact CG2-CG2 4.12Å
495D90.5Very high90.5Very high65 Ų6546.1 Ų46.135%0.34826%0.263SS..THydrogen-bonded Turntrans56.832.3-179.7-126.515.5000113.3H497 G512 V552 G553D495-H497 PolarHBondContact O-CD2 3.18Å; D495-H497 PolarHBondContact O-N 2.67Å; D495-G512 PolarHBondContact OD2-N 2.91Å; D495-V552 HydrophobicContact CB-CG1 3.76Å; D495-G553 PolarHBondContact N-O 2.85Å
496G89.4Confident90.5Very high64 Ų6449.3 Ų49.366%0.6628%0.277SS*.THydrogen-bonded Turntrans84.8-24-174.800000114.7I494I494-G496 PolarHBondContact O-N 3.22Å
497H91.8Very high90.6Very high112 Ų11247.2 Ų47.252%0.51927%0.272SS..EExtended strand (participates in β ladder)trans-83.2138.5-179.6-60.9-82.8000112.6V493 I494 D495 F499V493-H497 CarbonylContact C-O 3.56Å; V493-H497 VanDerWaalsContact CA-O 3.29Å; V493-H497 WeakPolarHBondContact CA-O 3.39Å; I494-H497 PolarHBondContact N-O 2.69Å; I494-H497 PolarHBondContact O-N 2.89Å; D495-H497 PolarHBondContact O-CD2 3.18Å; D495-H497 PolarHBondContact O-N 2.67Å; H497-F499 HydrophobicContact CB-CD2 4.42Å; H497-F499 HydrophobicContact CB-CE2 3.64Å; H497-F499 HydrophobicContact CB-CZ 3.86Å; H497-F499 WeakPolarHBondContact O-CD2 3.13Å
498C92.7Very high90.9Very high90 Ų9052.7 Ų52.761%0.60829%0.289SS*.EExtended strand (participates in β ladder)trans-83.6120.1176.1-69.50000111.4V493V493-C498 VanDerWaalsContact CG2-SG 3.58Å
499F94.5Very high91.3Very high28 Ų2845 Ų4512%0.12325%0.252CS..EExtended strand (participates in β ladder)trans-116.2133172.5-60.4-81.7000111.1T491 I492 I494 H497 I501 T507 V509T491-F499 WeakPolarHBondContact CA-O 3.31Å; I492-F499 PolarHBondContact N-O 2.76Å; I492-F499 PolarHBondContact O-N 3.29Å; I494-F499 HydrophobicContact CB-CD2 3.85Å; I494-F499 HydrophobicContact CB-CE2 3.95Å; I494-F499 HydrophobicContact CD1-CD2 4.18Å; I494-F499 HydrophobicContact CG1-CD2 4.14Å; H497-F499 HydrophobicContact CB-CD2 4.42Å; H497-F499 HydrophobicContact CB-CE2 3.64Å; H497-F499 HydrophobicContact CB-CZ 3.86Å; H497-F499 WeakPolarHBondContact O-CD2 3.13Å; F499-I501 HydrophobicContact CB-CG1 4.48Å; F499-T507 HydrophobicContact CD1-CG2 4.46Å; F499-V509 HydrophobicContact CB-CG1 4.18Å; F499-V509 HydrophobicContact CD1-CB 4.2Å; F499-V509 HydrophobicContact CD1-CG1 3.74Å; F499-V509 HydrophobicContact CD2-CB 4.24Å; F499-V509 HydrophobicContact CD2-CG1 3.98Å; F499-V509 HydrophobicContact CE1-CB 4.01Å; F499-V509 HydrophobicContact CE1-CG1 4.07Å; F499-V509 HydrophobicContact CE2-CB 4.03Å; F499-V509 HydrophobicContact CE2-CG1 4.28Å; F499-V509 HydrophobicContact CG-CB 4.32Å; F499-V509 HydrophobicContact CG-CG1 3.69Å; F499-V509 HydrophobicContact CZ-CB 3.91Å; F499-V509 HydrophobicContact CZ-CG1 4.33Å
500N93.6Very high91.3Very high90 Ų9042.1 Ų42.148%0.48125%0.245SC..EExtended strand (participates in β ladder)trans-88117.7165.2-70.7-30.9000108.2F489 T491 T507F489-N500 HydrophobicContact CD2-CB 4.23Å; T491-N500 WeakPolarHBondContact CB-OD1 3.45Å; T491-N500 WeakPolarHBondContact CG2-OD1 3.37Å; T491-N500 PolarHBondContact OG1-OD1 2.94Å; N500-T507 PolarHBondContact O-OG1 2.93Å
501I93.2Very high91.2Very high0 Ų042.1 Ų42.10%025%0.245CC..EExtended strand (participates in β ladder)trans-107.8123176.1-49.6-173.8000107.8F489 A490 I492 I494 F499 A518 L520 L527F489-I501 CarbonylContact C-O 3.59Å; F489-I501 WeakPolarHBondContact CA-O 3.48Å; F489-I501 WeakPolarHBondContact CB-O 3.46Å; A490-I501 PolarHBondContact N-O 3.5Å; A490-I501 PolarHBondContact O-N 2.79Å; I492-I501 HydrophobicContact CD1-CD1 4.26Å; I494-I501 HydrophobicContact CD1-CD1 4.42Å; F499-I501 HydrophobicContact CB-CG1 4.48Å; I501-A518 HydrophobicContact CD1-CB 3.68Å; I501-L520 HydrophobicContact CB-CD1 4.44Å; I501-L520 HydrophobicContact CB-CD2 4.45Å; I501-L520 HydrophobicContact CB-CG 4.03Å; I501-L520 HydrophobicContact CG2-CG 3.84Å; I501-L520 VanDerWaalsContact O-CD1 3.3Å; I501-L520 WeakPolarHBondContact O-CD1 3.42Å; I501-L527 HydrophobicContact CD1-CD1 3.63Å
502P89.9Confident90.7Very high38 Ų3842.6 Ų42.625%0.24726%0.256CS..EExtended strand (participates in β ladder)trans-66.2151.2-179.329.7-35.9000110.8E488 T504 T507E488-P502 CarbonylContact O-C 3.54Å; E488-P502 WeakPolarHBondContact O-CA 3.49Å; P502-T504 WeakPolarHBondContact CB-O 3.34Å; P502-T504 WeakPolarHBondContact CG-O 3.29Å; P502-T504 PolarHBondContact O-N 3.43Å; P502-T507 VanDerWaalsContact CD-OG1 3.27Å; P502-T507 WeakPolarHBondContact CD-OG1 3.41Å
503G86Confident90.2Very high2 Ų248.4 Ų48.42%0.02129%0.294CS..SBendtrans-64-6.5174.200000113.9E488E488-G503 PolarHBondContact O-N 3.24Å
504T82.2Confident89.9Confident23 Ų2355.2 Ų55.214%0.14132%0.318CS..SBendtrans-153.1125.4179.858.80000109.3P422 P502P422-T504 HydrophobicContact CB-CG2 4.46Å; P422-T504 VanDerWaalsContact CB-OG1 3.27Å; P422-T504 WeakPolarHBondContact CB-OG1 3.23Å; P422-T504 WeakPolarHBondContact CD-OG1 3.37Å; P422-T504 WeakPolarHBondContact CG-OG1 3.48Å; P422-T504 WeakPolarHBondContact O-CG2 3.44Å; P502-T504 WeakPolarHBondContact CB-O 3.34Å; P502-T504 WeakPolarHBondContact CG-O 3.29Å; P502-T504 PolarHBondContact O-N 3.43Å
505G85.2Confident89.7Confident35 Ų3562.7 Ų62.736%0.36135%0.351SS..SBendtrans93.3-168.7-172.200000111.9Y519G505-Y519 WeakPolarHBondContact O-CD2 3.44Å
506F90.9Very high89.8Confident72 Ų7260.6 Ų60.632%0.31634%0.338SS..EExtended strand (participates in β ladder)trans-131.3159-168.266.3-92000112.5V517 A518 L589 F590F506-V517 HydrophobicContact CB-CG1 3.65Å; F506-V517 HydrophobicContact CD2-CG1 3.75Å; F506-V517 HydrophobicContact CG-CG1 3.73Å; F506-A518 CarbonylContact C-O 3.49Å; F506-A518 WeakPolarHBondContact CA-O 3.41Å; F506-A518 WeakPolarHBondContact CB-O 3.46Å; F506-L589 HydrophobicContact CD1-CB 3.77Å; F506-L589 HydrophobicContact CE1-CB 4.2Å; F506-L589 VanDerWaalsContact CE1-O 3.32Å; F506-L589 WeakPolarHBondContact CE1-O 3.45Å; F506-L589 HydrophobicContact CG-CB 4.35Å; F506-F590 HydrophobicContact CE1-CB 4.38Å; F506-F590 HydrophobicContact CE2-CB 4.05Å; F506-F590 VanDerWaalsContact CZ-CA 3.48Å; F506-F590 HydrophobicContact CZ-CB 3.64Å
507T92.7Very high89.9Confident31 Ų3158.1 Ų58.119%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-120141.5169.6-640000108.8F499 N500 P502 V509 A518F499-T507 HydrophobicContact CD1-CG2 4.46Å; N500-T507 PolarHBondContact O-OG1 2.93Å; P502-T507 VanDerWaalsContact CD-OG1 3.27Å; P502-T507 WeakPolarHBondContact CD-OG1 3.41Å; T507-V509 HydrophobicContact CG2-CG1 4.32Å; T507-A518 PolarHBondContact N-O 2.95Å; T507-A518 PolarHBondContact O-N 3.31Å
508R93.1Very high90Very high146 Ų14652.8 Ų52.855%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-80.1130.6169.4-70.4-175175-145.8-2.1108.9Y516R508-Y516 WeakPolarHBondContact CA-O 3.26Å
509V93.3Very high90.1Very high0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-124.5135.1-178.9-55.20000110.1I494 F499 T507 I511 F515 Y516 A518I494-V509 HydrophobicContact CD1-CG1 4.22Å; F499-V509 HydrophobicContact CB-CG1 4.18Å; F499-V509 HydrophobicContact CD1-CB 4.2Å; F499-V509 HydrophobicContact CD1-CG1 3.74Å; F499-V509 HydrophobicContact CD2-CB 4.24Å; F499-V509 HydrophobicContact CD2-CG1 3.98Å; F499-V509 HydrophobicContact CE1-CB 4.01Å; F499-V509 HydrophobicContact CE1-CG1 4.07Å; F499-V509 HydrophobicContact CE2-CB 4.03Å; F499-V509 HydrophobicContact CE2-CG1 4.28Å; F499-V509 HydrophobicContact CG-CB 4.32Å; F499-V509 HydrophobicContact CG-CG1 3.69Å; F499-V509 HydrophobicContact CZ-CB 3.91Å; F499-V509 HydrophobicContact CZ-CG1 4.33Å; T507-V509 HydrophobicContact CG2-CG1 4.32Å; V509-I511 HydrophobicContact CG2-CD1 4.1Å; V509-I511 HydrophobicContact CG2-CG1 4.39Å; V509-F515 CarbonylContact O-C 3.5Å; V509-F515 WeakPolarHBondContact O-CA 3.48Å; V509-Y516 PolarHBondContact N-O 2.82Å; V509-Y516 PolarHBondContact O-N 2.95Å; V509-A518 HydrophobicContact CG1-CB 3.7Å; V509-A518 HydrophobicContact CG2-CB 3.98Å
510S91.1Very high90Very high39 Ų3947.7 Ų47.727%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-84.3132171400000109.9
511I89.5Confident89.9Confident0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-139.1104.7175-65.6171.1000106.7I494 V509 R514 Y516 I529 V547 H550 V552I494-I511 HydrophobicContact CG2-CD1 3.9Å; I494-I511 HydrophobicContact CG2-CG1 3.98Å; V509-I511 HydrophobicContact CG2-CD1 4.1Å; V509-I511 HydrophobicContact CG2-CG1 4.39Å; I511-R514 PolarHBondContact N-O 3.21Å; I511-R514 PolarHBondContact O-N 3.42Å; I511-Y516 HydrophobicContact CB-CD2 3.81Å; I511-Y516 HydrophobicContact CB-CE2 3.85Å; I511-Y516 HydrophobicContact CD1-CD2 4.05Å; I511-Y516 HydrophobicContact CG1-CD2 4.23Å; I511-Y516 HydrophobicContact CG2-CE2 4.37Å; I511-I529 HydrophobicContact CD1-CD1 4.28Å; I511-V547 HydrophobicContact CD1-CB 4.08Å; I511-V547 HydrophobicContact CD1-CG1 3.79Å; I511-V547 HydrophobicContact CD1-CG2 4.07Å; I511-H550 HydrophobicContact CG2-CB 3.97Å; I511-V552 HydrophobicContact CD1-CG2 4.44Å; I511-V552 HydrophobicContact CG2-CG2 3.4Å
512G83.4Confident89.8Confident44 Ų4443.4 Ų43.445%0.45423%0.23SC..THydrogen-bonded Turntrans50.3-142.7-160.800000111.9D495 R514D495-G512 PolarHBondContact OD2-N 2.91Å; G512-R514 PolarHBondContact O-N 2.97Å
513P83.8Confident89.9Confident122 Ų12242.3 Ų42.379%0.79222%0.223SC*.THydrogen-bonded Turntrans-78.923.4-175.935.1-38.5000114
514R86.8Confident90.1Very high159 Ų15942.4 Ų42.460%0.622%0.224SC*.EExtended strand (participates in β ladder)trans-135.4137.4-177.2-77.9-175169.1164.1-2.3112.6I511 G512 Y516I511-R514 PolarHBondContact N-O 3.21Å; I511-R514 PolarHBondContact O-N 3.42Å; G512-R514 PolarHBondContact O-N 2.97Å; R514-Y516 HydrophobicContact CB-CD2 4.32Å; R514-Y516 HydrophobicContact CB-CE2 3.55Å; R514-Y516 WeakPolarHBondContact O-CD2 3.48Å
515F89.3Confident90.7Very high157 Ų15741.3 Ų41.369%0.68922%0.217SC*.EExtended strand (participates in β ladder)trans-87.7136169.7-62.1-74.6000110.7V509V509-F515 CarbonylContact O-C 3.5Å; V509-F515 WeakPolarHBondContact O-CA 3.48Å
516Y92.8Very high91.1Very high21 Ų2140.6 Ų40.68%0.08220%0.204CC..EExtended strand (participates in β ladder)trans-125.7161.1177.3-64.9-90000110.3R508 V509 I511 R514 I529 D530 V547R508-Y516 WeakPolarHBondContact CA-O 3.26Å; V509-Y516 PolarHBondContact N-O 2.82Å; V509-Y516 PolarHBondContact O-N 2.95Å; I511-Y516 HydrophobicContact CB-CD2 3.81Å; I511-Y516 HydrophobicContact CB-CE2 3.85Å; I511-Y516 HydrophobicContact CD1-CD2 4.05Å; I511-Y516 HydrophobicContact CG1-CD2 4.23Å; I511-Y516 HydrophobicContact CG2-CE2 4.37Å; R514-Y516 HydrophobicContact CB-CD2 4.32Å; R514-Y516 HydrophobicContact CB-CE2 3.55Å; R514-Y516 WeakPolarHBondContact O-CD2 3.48Å; Y516-I529 HydrophobicContact CD1-CG2 4.33Å; Y516-I529 HydrophobicContact CG-CG2 4.18Å; Y516-D530 HydrophobicContact CD1-CB 4.33Å; Y516-V547 HydrophobicContact CD1-CG1 3.83Å; Y516-V547 HydrophobicContact CD2-CG1 4.2Å; Y516-V547 HydrophobicContact CE1-CG1 3.81Å; Y516-V547 HydrophobicContact CE2-CG1 4.18Å; Y516-V547 HydrophobicContact CG-CG1 4.03Å
517V92.3Very high91.3Very high11 Ų1137.2 Ų37.27%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-101.6115.7178.1-178.40000110.1F506 I529 D530 L589 F590F506-V517 HydrophobicContact CB-CG1 3.65Å; F506-V517 HydrophobicContact CD2-CG1 3.75Å; F506-V517 HydrophobicContact CG-CG1 3.73Å; V517-I529 CarbonylContact O-C 3.49Å; V517-I529 WeakPolarHBondContact O-CA 3.44Å; V517-D530 PolarHBondContact N-OD1 3.18Å; V517-D530 PolarHBondContact O-N 3.19Å; V517-L589 HydrophobicContact CG1-CB 4.26Å; V517-L589 HydrophobicContact CG1-CD1 4.19Å; V517-F590 HydrophobicContact CG2-CD1 3.97Å; V517-F590 HydrophobicContact CG2-CE1 4.35Å
518A94.7Very high91.4Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-108.3140.2-178.200000112.7I501 F506 T507 V509 L527 V528 I529I501-A518 HydrophobicContact CD1-CB 3.68Å; F506-A518 CarbonylContact C-O 3.49Å; F506-A518 WeakPolarHBondContact CA-O 3.41Å; F506-A518 WeakPolarHBondContact CB-O 3.46Å; T507-A518 PolarHBondContact N-O 2.95Å; T507-A518 PolarHBondContact O-N 3.31Å; V509-A518 HydrophobicContact CG1-CB 3.7Å; V509-A518 HydrophobicContact CG2-CB 3.98Å; A518-L527 HydrophobicContact CB-CD1 4.37Å; A518-V528 CarbonylContact C-O 3.57Å; A518-V528 VanDerWaalsContact CA-O 3.28Å; A518-V528 WeakPolarHBondContact CA-O 3.24Å; A518-I529 HydrophobicContact CB-CG1 4.3Å
519Y94.1Very high91.5Very high11 Ų1129 Ų294%0.04316%0.155CC..EExtended strand (participates in β ladder)trans-144.2142-173.9175-77.2000110.7M443 Q471 G505 G521 V528M443-Y519 HydrophobicContact CE-CD1 3.38Å; M443-Y519 HydrophobicContact CE-CD2 4.41Å; M443-Y519 HydrophobicContact CE-CE1 3.49Å; M443-Y519 VanDerWaalsContact CE-CE1 3.49Å; M443-Y519 HydrophobicContact CE-CE2 4.49Å; M443-Y519 HydrophobicContact CE-CG 3.91Å; M443-Y519 HydrophobicContact CG-CE2 4.42Å; M443-Y519 HydrophobicContact SD-CD1 4.48Å; M443-Y519 HydrophobicContact SD-CG 4.49Å; Q471-Y519 PolarHBondContact OE1-OH 3.18Å; Q471-Y519 VanDerWaalsContact OE1-OH 3.05Å; G505-Y519 WeakPolarHBondContact O-CD2 3.44Å; Y519-G521 PolarHBondContact O-N 3.47Å; Y519-V528 HydrophobicContact CD1-CB 4.46Å; Y519-V528 HydrophobicContact CD1-CG2 4.4Å; Y519-V528 PolarHBondContact N-O 2.96Å; Y519-V528 PolarHBondContact O-N 3.23Å
520L93.1Very high91.4Very high1 Ų130.8 Ų30.81%0.00517%0.165CC..  trans-81.9100.2174.2-71.1178.6000111A490 I492 I501 F556A490-L520 HydrophobicContact CB-CD1 3.71Å; A490-L520 HydrophobicContact CB-CD2 4.32Å; I492-L520 HydrophobicContact CD1-CD2 3.77Å; I501-L520 HydrophobicContact CB-CD1 4.44Å; I501-L520 HydrophobicContact CB-CD2 4.45Å; I501-L520 HydrophobicContact CB-CG 4.03Å; I501-L520 HydrophobicContact CG2-CG 3.84Å; I501-L520 VanDerWaalsContact O-CD1 3.3Å; I501-L520 WeakPolarHBondContact O-CD1 3.42Å; L520-F556 HydrophobicContact CD2-CE1 4.26Å
521G90.5Very high91.4Very high0 Ų029.5 Ų29.50%016%0.158CC..  trans-66.7-88.9-179.400000112.3Q471 R484 Y519 H525 E526Q471-G521 PolarHBondContact NE2-O 3.34Å; R484-G521 WeakPolarHBondContact CA-O 3.49Å; Y519-G521 PolarHBondContact O-N 3.47Å; G521-H525 VanDerWaalsContact CA-O 3.26Å; G521-H525 WeakPolarHBondContact CA-O 3.29Å; G521-E526 PolarHBondContact N-O 3.49Å
522G92.2Very high91.6Very high0 Ų035 Ų350%018%0.179CC..BIsolated β-bridgetrans174.1-169.1-178.700000111.4G524 H525 E526G522-G524 PolarHBondContact O-N 3.36Å; G522-H525 PolarHBondContact N-O 3.36Å; G522-H525 CarbonylContact O-C 2.97Å; G522-H525 PolarHBondContact O-N 3.16Å; G522-E526 VanDerWaalsContact O-CA 3.28Å; G522-E526 WeakPolarHBondContact O-CA 3.31Å; G522-E526 PolarHBondContact O-N 3.41Å; G522-E526 VanDerWaalsContact O-N 3.09Å
523P91.6Very high92.1Very high15 Ų1533.6 Ų33.610%0.09716%0.162CC..THydrogen-bonded Turntrans-51133.3176.9-26.634.8000112.5I456 L465 P472 V483 F485 H525 V564I456-P523 HydrophobicContact CD1-CB 3.69Å; I456-P523 HydrophobicContact CD1-CG 3.64Å; L465-P523 HydrophobicContact CD2-CB 4.04Å; P472-P523 VanDerWaalsContact CG-O 3.3Å; P472-P523 WeakPolarHBondContact CG-O 3.32Å; V483-P523 HydrophobicContact CG1-CG 4.4Å; F485-P523 HydrophobicContact CE1-CG 4.48Å; P523-H525 PolarHBondContact O-N 3.26Å; P523-H525 VanDerWaalsContact O-N 3.12Å; P523-V564 HydrophobicContact CG-CG1 3.63Å
524G90Very high92.6Very high4 Ų428.7 Ų28.74%0.04113%0.129CC..THydrogen-bonded Turntrans78.4-29-17600000115.2K451 G522 E526 T535K451-G524 PolarHBondContact NZ-O 3.02Å; G522-G524 PolarHBondContact O-N 3.36Å; G524-E526 VanDerWaalsContact CA-OE1 3.26Å; G524-E526 WeakPolarHBondContact CA-OE1 3.24Å; G524-E526 PolarHBondContact N-OE1 2.92Å; G524-T535 PolarHBondContact O-OG1 3.09Å
525H94.2Very high92.8Very high0 Ų023.5 Ų23.50%012%0.115CC..BIsolated β-bridgetrans-121.755177-69.2-176.1000109.4K451 R469 V470 P472 G521 G522 P523 L527 P533 H534K451-H525 PolarHBondContact NZ-CD2 3.47Å; K451-H525 VanDerWaalsContact NZ-CD2 3.34Å; R469-H525 PolarHBondContact O-CE1 2.85Å; R469-H525 PolarHBondContact O-ND1 3.13Å; R469-H525 VanDerWaalsContact O-ND1 3.08Å; V470-H525 PolarHBondContact O-ND1 2.91Å; P472-H525 HydrophobicContact CG-CB 3.72Å; G521-H525 VanDerWaalsContact CA-O 3.26Å; G521-H525 WeakPolarHBondContact CA-O 3.29Å; G522-H525 PolarHBondContact N-O 3.36Å; G522-H525 CarbonylContact O-C 2.97Å; G522-H525 PolarHBondContact O-N 3.16Å; P523-H525 PolarHBondContact O-N 3.26Å; P523-H525 VanDerWaalsContact O-N 3.12Å; H525-L527 VanDerWaalsContact C-N 3.32Å; H525-L527 PolarHBondContact O-N 3.29Å; H525-P533 HydrophobicContact CB-CB 3.67Å; H525-P533 WeakPolarHBondContact ND1-CB 3.48Å; H525-H534 CarbonylContact C-O 3.6Å
526E93.3Very high92.9Very high20 Ų2016 Ų169%0.0938%0.082CC..  trans-65.4-35.7-163.9-65.480.6-170.500112.9F485 G521 G522 G524 H534 T535 V536 F556F485-E526 HydrophobicContact CE2-CB 4.14Å; F485-E526 HydrophobicContact CE2-CG 4.15Å; F485-E526 HydrophobicContact CZ-CB 4.35Å; F485-E526 HydrophobicContact CZ-CG 3.88Å; G521-E526 PolarHBondContact N-O 3.49Å; G522-E526 VanDerWaalsContact O-CA 3.28Å; G522-E526 WeakPolarHBondContact O-CA 3.31Å; G522-E526 PolarHBondContact O-N 3.41Å; G522-E526 VanDerWaalsContact O-N 3.09Å; G524-E526 VanDerWaalsContact CA-OE1 3.26Å; G524-E526 WeakPolarHBondContact CA-OE1 3.24Å; G524-E526 PolarHBondContact N-OE1 2.92Å; E526-H534 PolarHBondContact N-O 2.65Å; E526-T535 WeakPolarHBondContact OE2-CA 3.45Å; E526-T535 WeakPolarHBondContact OE2-CG2 3.36Å; E526-V536 HydrophobicContact CB-CB 4.34Å; E526-V536 WeakPolarHBondContact CB-O 3.42Å; E526-V536 WeakPolarHBondContact CG-O 2.97Å; E526-V536 PolarHBondContact OE2-N 2.98Å; E526-F556 HydrophobicContact CB-CE2 4.15Å; E526-F556 HydrophobicContact CB-CZ 4.14Å
527L94.6Very high92.6Very high0 Ų017.7 Ų17.70%010%0.095CC..EExtended strand (participates in β ladder)trans-126.4124.6175.8179.560000110I492 I494 I501 A518 H525 I529 H534 V536 I545 V554I492-L527 HydrophobicContact CD1-CD1 4.12Å; I492-L527 HydrophobicContact CG2-CD2 4.42Å; I494-L527 HydrophobicContact CD1-CD2 4.06Å; I501-L527 HydrophobicContact CD1-CD1 3.63Å; A518-L527 HydrophobicContact CB-CD1 4.37Å; H525-L527 VanDerWaalsContact C-N 3.32Å; H525-L527 PolarHBondContact O-N 3.29Å; L527-I529 HydrophobicContact CD1-CG1 4.39Å; L527-I529 HydrophobicContact CD2-CD1 4.03Å; L527-I529 HydrophobicContact CD2-CG1 4.34Å; L527-I529 HydrophobicContact CG-CD1 4.29Å; L527-I529 HydrophobicContact CG-CG1 4.05Å; L527-H534 WeakPolarHBondContact O-CA 3.37Å; L527-H534 WeakPolarHBondContact O-CB 3.47Å; L527-H534 PolarHBondContact O-N 3.41Å; L527-V536 HydrophobicContact CB-CG2 3.91Å; L527-V536 HydrophobicContact CD2-CG2 4.4Å; L527-I545 HydrophobicContact CD2-CD1 4.26Å; L527-V554 HydrophobicContact CD2-CG1 3.79Å
528V95.4Very high92Very high2 Ų219.9 Ų19.91%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-106.2130.5173-178.90000108.3M443 V470 A518 Y519 R532 P533M443-V528 HydrophobicContact CE-CB 4.43Å; M443-V528 HydrophobicContact CE-CG1 4.18Å; M443-V528 HydrophobicContact CE-CG2 4.18Å; V470-V528 HydrophobicContact CG1-CB 4.35Å; V470-V528 HydrophobicContact CG1-CG1 3.44Å; V470-V528 VanDerWaalsContact CG1-CG1 3.44Å; V470-V528 HydrophobicContact CG1-CG2 3.94Å; A518-V528 CarbonylContact C-O 3.57Å; A518-V528 VanDerWaalsContact CA-O 3.28Å; A518-V528 WeakPolarHBondContact CA-O 3.24Å; Y519-V528 HydrophobicContact CD1-CB 4.46Å; Y519-V528 HydrophobicContact CD1-CG2 4.4Å; Y519-V528 PolarHBondContact N-O 2.96Å; Y519-V528 PolarHBondContact O-N 3.23Å; V528-R532 WeakPolarHBondContact CA-O 3.37Å; V528-P533 HydrophobicContact CG2-CB 4.22Å
529I94.7Very high91.2Very high2 Ų223.2 Ų23.21%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-127.3126.1173.2-56.1177.5000108.2I511 Y516 V517 A518 L527 G531 R532 I545 V547I511-I529 HydrophobicContact CD1-CD1 4.28Å; Y516-I529 HydrophobicContact CD1-CG2 4.33Å; Y516-I529 HydrophobicContact CG-CG2 4.18Å; V517-I529 CarbonylContact O-C 3.49Å; V517-I529 WeakPolarHBondContact O-CA 3.44Å; A518-I529 HydrophobicContact CB-CG1 4.3Å; L527-I529 HydrophobicContact CD1-CG1 4.39Å; L527-I529 HydrophobicContact CD2-CD1 4.03Å; L527-I529 HydrophobicContact CD2-CG1 4.34Å; L527-I529 HydrophobicContact CG-CD1 4.29Å; L527-I529 HydrophobicContact CG-CG1 4.05Å; I529-G531 PolarHBondContact O-N 2.73Å; I529-R532 PolarHBondContact N-O 2.84Å; I529-R532 WeakPolarHBondContact O-CA 3.43Å; I529-R532 VanDerWaalsContact O-CB 3.28Å; I529-R532 WeakPolarHBondContact O-CB 3.44Å; I529-R532 PolarHBondContact O-N 2.65Å; I529-I545 HydrophobicContact CD1-CD1 3.84Å; I529-V547 HydrophobicContact CD1-CG2 3.78Å; I529-V547 HydrophobicContact CG2-CG1 3.84Å
530D91.7Very high90.1Very high38 Ų3827.4 Ų27.420%0.20316%0.16CC..THydrogen-bonded Turntrans53.639.1-179.8-101.345.8000113Y516 V517 R532 K587Y516-D530 HydrophobicContact CD1-CB 4.33Å; V517-D530 PolarHBondContact N-OD1 3.18Å; V517-D530 PolarHBondContact O-N 3.19Å; D530-R532 PolarHBondContact O-N 3.23Å; D530-K587 HydrophobicContact CB-CD 4.29Å; D530-K587 HydrophobicContact CB-CG 4.05Å; D530-K587 VanDerWaalsContact O-CE 3.26Å; D530-K587 WeakPolarHBondContact O-CE 3.39Å; D530-K587 VanDerWaalsContact O-CG 3.24Å; D530-K587 WeakPolarHBondContact O-CG 3.33Å; D530-K587 IonicContact OD2-NZ 2.69Å
531G91.7Very high89.5Confident13 Ų1333.6 Ų33.613%0.13419%0.188CC..THydrogen-bonded Turntrans70.42.9-175.200000115.3V470 I529V470-G531 WeakPolarHBondContact CG1-O 3.34Å; I529-G531 PolarHBondContact O-N 2.73Å
532R93.5Very high89.4Confident114 Ų11437.9 Ų37.943%0.4321%0.211SC..EExtended strand (participates in β ladder)trans-94119.7175.3-168.7-178.3-167.617910.5110.2V528 I529 D530 H534 N546V528-R532 WeakPolarHBondContact CA-O 3.37Å; I529-R532 PolarHBondContact N-O 2.84Å; I529-R532 WeakPolarHBondContact O-CA 3.43Å; I529-R532 VanDerWaalsContact O-CB 3.28Å; I529-R532 WeakPolarHBondContact O-CB 3.44Å; I529-R532 PolarHBondContact O-N 2.65Å; D530-R532 PolarHBondContact O-N 3.23Å; R532-H534 PolarHBondContact O-CD2 3.08Å; R532-H534 VanDerWaalsContact O-CD2 3.24Å; R532-N546 PolarHBondContact NH1-O 3.33Å
533P94.6Very high89.3Confident16 Ų1639.5 Ų39.510%0.10422%0.221CC..EExtended strand (participates in β ladder)trans-86.6117.4-179.831.1-33.4000113V447 K451 H525 V528V447-P533 HydrophobicContact CB-CG 4.39Å; V447-P533 HydrophobicContact CG1-CG 3.67Å; K451-P533 PolarHBondContact NZ-O 3.33Å; H525-P533 HydrophobicContact CB-CB 3.67Å; H525-P533 WeakPolarHBondContact ND1-CB 3.48Å; V528-P533 HydrophobicContact CG2-CB 4.22Å
534H93.5Very high89.4Confident19 Ų1945.1 Ų45.19%0.08824%0.244CC..EExtended strand (participates in β ladder)trans-92.9149.1172.6-62.5-89.4000110.2H525 E526 L527 R532 V536 I545 N546H525-H534 CarbonylContact C-O 3.6Å; E526-H534 PolarHBondContact N-O 2.65Å; L527-H534 WeakPolarHBondContact O-CA 3.37Å; L527-H534 WeakPolarHBondContact O-CB 3.47Å; L527-H534 PolarHBondContact O-N 3.41Å; R532-H534 PolarHBondContact O-CD2 3.08Å; R532-H534 VanDerWaalsContact O-CD2 3.24Å; H534-V536 HydrophobicContact CB-CG2 4.37Å; H534-I545 HydrophobicContact CB-CD1 4.05Å; H534-I545 HydrophobicContact CB-CG2 4.12Å; H534-N546 PolarHBondContact CE1-O 3.23Å
535T91.8Very high89.5Confident50 Ų5045.5 Ų45.531%0.30725%0.245SC..PPolyproline II helixtrans-96.5118.7170.4-59.80000107.4K451 G524 E526K451-T535 PolarHBondContact NZ-OG1 3.23Å; G524-T535 PolarHBondContact O-OG1 3.09Å; E526-T535 WeakPolarHBondContact OE2-CA 3.45Å; E526-T535 WeakPolarHBondContact OE2-CG2 3.36Å
536V90.7Very high89.4Confident0 Ų050.2 Ų50.20%027%0.27CS..  trans-126.7115.9-177.7-178.50000107.7E526 L527 H534 V554 F556E526-V536 HydrophobicContact CB-CB 4.34Å; E526-V536 WeakPolarHBondContact CB-O 3.42Å; E526-V536 WeakPolarHBondContact CG-O 2.97Å; E526-V536 PolarHBondContact OE2-N 2.98Å; L527-V536 HydrophobicContact CB-CG2 3.91Å; L527-V536 HydrophobicContact CD2-CG2 4.4Å; H534-V536 HydrophobicContact CB-CG2 4.37Å; V536-V554 HydrophobicContact CG1-CG1 4Å; V536-V554 HydrophobicContact CG2-CG1 4.21Å; V536-F556 HydrophobicContact CB-CE2 4.07Å; V536-F556 HydrophobicContact CG1-CD2 3.92Å; V536-F556 HydrophobicContact CG1-CE2 3.8Å
537P85.7Confident89.3Confident55 Ų5549.5 Ų49.536%0.35727%0.267SS..  trans-54.1139.7177-26.335.1000112.3T539 T543 F556P537-T539 WeakPolarHBondContact CB-OG1 3.15Å; P537-T539 PolarHBondContact O-N 3.49Å; P537-T543 WeakPolarHBondContact CD-OG1 3.26Å; P537-F556 WeakPolarHBondContact O-CD2 3.4Å
538T81Confident88.8Confident57 Ų5752.3 Ų52.335%0.3530%0.297SS..SBendtrans-76.88.8173.947.30000113.4V560T538-V560 HydrophobicContact CG2-CG1 3.79Å
539T76.6Confident88.2Confident70 Ų7057.5 Ų57.543%0.42932%0.324SS..SBendtrans-88.4164170.750.10000110.6P537 H541P537-T539 WeakPolarHBondContact CB-OG1 3.15Å; P537-T539 PolarHBondContact O-N 3.49Å; T539-H541 PolarHBondContact O-N 3.15Å; T539-H541 VanDerWaalsContact O-N 3.08Å; T539-H541 PolarHBondContact OG1-CD2 3.38Å
540S70.9Confident87.8Confident99 Ų9960.4 Ų60.469%0.69234%0.337SS*.SBendtrans-74.19.8-179.3480000114.8
541H80.6Confident87.8Confident131 Ų13162.1 Ų62.161%0.60635%0.352SS*.  trans-79.1135.9-178.3-64.1-62.5000112.1T539 T543T539-H541 PolarHBondContact O-N 3.15Å; T539-H541 VanDerWaalsContact O-N 3.08Å; T539-H541 PolarHBondContact OG1-CD2 3.38Å; H541-T543 PolarHBondContact O-N 3.46Å
542L88.6Confident87.8Confident91 Ų9161.5 Ų61.548%0.47635%0.346SS..  trans-68.6126.7173.7-167.671.2000110.4F544 K555L542-F544 HydrophobicContact CD2-CE2 3.95Å; L542-F544 HydrophobicContact CD2-CZ 3.73Å; L542-F544 HydrophobicContact CG-CE2 4.34Å; L542-F544 HydrophobicContact CG-CZ 4.43Å; L542-K555 HydrophobicContact CD1-CB 4.35Å; L542-K555 HydrophobicContact CD1-CD 4.3Å; L542-K555 HydrophobicContact CD1-CG 4.2Å
543T91.2Very high87.8Confident34 Ų3456.6 Ų56.621%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-123.9127.6-179.8-58.90000109.1P537 H541 V554P537-T543 WeakPolarHBondContact CD-OG1 3.26Å; H541-T543 PolarHBondContact O-N 3.46Å; T543-V554 PolarHBondContact N-O 3.33Å; T543-V554 PolarHBondContact O-N 3.28Å
544F92.9Very high87.8Confident133 Ų13355.8 Ų55.858%0.58333%0.325SS*.EExtended strand (participates in β ladder)trans-87.6135.1-179.7-70.3-89000111.8L542 V552L542-F544 HydrophobicContact CD2-CE2 3.95Å; L542-F544 HydrophobicContact CD2-CZ 3.73Å; L542-F544 HydrophobicContact CG-CE2 4.34Å; L542-F544 HydrophobicContact CG-CZ 4.43Å; F544-V552 CarbonylContact C-O 3.58Å; F544-V552 VanDerWaalsContact CA-O 3.32Å; F544-V552 WeakPolarHBondContact CA-O 3.46Å
545I92.6Very high87.8Confident11 Ų1158.6 Ų58.66%0.05634%0.337CS..EExtended strand (participates in β ladder)trans-133.4142.8-179.963.9164.2000112.6L527 I529 H534 V547 V552 V554L527-I545 HydrophobicContact CD2-CD1 4.26Å; I529-I545 HydrophobicContact CD1-CD1 3.84Å; H534-I545 HydrophobicContact CB-CD1 4.05Å; H534-I545 HydrophobicContact CB-CG2 4.12Å; I545-V547 HydrophobicContact CD1-CG2 4.04Å; I545-V547 HydrophobicContact CG1-CG2 4.16Å; I545-V547 PolarHBondContact O-N 3.05Å; I545-V552 HydrophobicContact CG1-CB 4.4Å; I545-V552 PolarHBondContact N-O 3.14Å; I545-V552 PolarHBondContact O-N 2.68Å; I545-V554 HydrophobicContact CD1-CG2 3.73Å; I545-V554 HydrophobicContact CG1-CB 4.46Å; I545-V554 HydrophobicContact CG1-CG2 3.69Å
546N91.2Very high87.9Confident99 Ų9956.4 Ų56.453%0.52932%0.323SS..EExtended strand (participates in β ladder)trans-90.9106.4-176.3-63.93.5000111.7R532 H534 H550 S551R532-N546 PolarHBondContact NH1-O 3.33Å; H534-N546 PolarHBondContact CE1-O 3.23Å; N546-H550 CarbonylContact C-O 3.52Å; N546-H550 WeakPolarHBondContact CA-O 3.41Å; N546-S551 PolarHBondContact OD1-OG 2.95Å
547V91.2Very high87.8Confident5 Ų559.1 Ų59.13%0.0334%0.339CS..EExtended strand (participates in β ladder)trans-110.7109.1179.5-174.40000109.6I511 Y516 I529 I545 L549 H550 V552I511-V547 HydrophobicContact CD1-CB 4.08Å; I511-V547 HydrophobicContact CD1-CG1 3.79Å; I511-V547 HydrophobicContact CD1-CG2 4.07Å; Y516-V547 HydrophobicContact CD1-CG1 3.83Å; Y516-V547 HydrophobicContact CD2-CG1 4.2Å; Y516-V547 HydrophobicContact CE1-CG1 3.81Å; Y516-V547 HydrophobicContact CE2-CG1 4.18Å; Y516-V547 HydrophobicContact CG-CG1 4.03Å; I529-V547 HydrophobicContact CD1-CG2 3.78Å; I529-V547 HydrophobicContact CG2-CG1 3.84Å; I545-V547 HydrophobicContact CD1-CG2 4.04Å; I545-V547 HydrophobicContact CG1-CG2 4.16Å; I545-V547 PolarHBondContact O-N 3.05Å; V547-L549 PolarHBondContact O-N 2.96Å; V547-H550 PolarHBondContact N-O 3.32Å; V547-H550 PolarHBondContact O-N 3.04Å; V547-V552 HydrophobicContact CB-CG2 4.22Å; V547-V552 HydrophobicContact CG2-CG2 4.21Å
548G84.7Confident87.8Confident60 Ų6059.4 Ų59.462%0.61935%0.353SS*.THydrogen-bonded Turntrans62.2-109.6-171.100000111.2
549L83.1Confident87.9Confident111 Ų11164.3 Ų64.358%0.58138%0.377SS*.THydrogen-bonded Turntrans-104.6-9.1175.5-81.1169.8000113.6V547 V621V547-L549 PolarHBondContact O-N 2.96Å; L549-V621 WeakPolarHBondContact CD2-O 3.38Å
550H85.9Confident88.3Confident63 Ų6362.7 Ų62.729%0.29237%0.367SS..EExtended strand (participates in β ladder)trans-93143.7-176.1-50.3124.5000111I511 N546 V547 V552I511-H550 HydrophobicContact CG2-CB 3.97Å; N546-H550 CarbonylContact C-O 3.52Å; N546-H550 WeakPolarHBondContact CA-O 3.41Å; V547-H550 PolarHBondContact N-O 3.32Å; V547-H550 PolarHBondContact O-N 3.04Å; H550-V552 HydrophobicContact CB-CG2 3.96Å
551S91Very high88.9Confident74 Ų7458.2 Ų58.252%0.51734%0.336SS..EExtended strand (participates in β ladder)trans-103.5113167.9-175.50000108.2N546N546-S551 PolarHBondContact OD1-OG 2.95Å
552V93.1Very high89Confident0 Ų058.8 Ų58.80%033%0.332CS..EExtended strand (participates in β ladder)trans-113.9128.2-160.4-177.80000110I494 D495 I511 F544 I545 V547 H550 V554I494-V552 HydrophobicContact CG2-CG1 3.61Å; D495-V552 HydrophobicContact CB-CG1 3.76Å; I511-V552 HydrophobicContact CD1-CG2 4.44Å; I511-V552 HydrophobicContact CG2-CG2 3.4Å; F544-V552 CarbonylContact C-O 3.58Å; F544-V552 VanDerWaalsContact CA-O 3.32Å; F544-V552 WeakPolarHBondContact CA-O 3.46Å; I545-V552 HydrophobicContact CG1-CB 4.4Å; I545-V552 PolarHBondContact N-O 3.14Å; I545-V552 PolarHBondContact O-N 2.68Å; V547-V552 HydrophobicContact CB-CG2 4.22Å; V547-V552 HydrophobicContact CG2-CG2 4.21Å; H550-V552 HydrophobicContact CB-CG2 3.96Å; V552-V554 HydrophobicContact CG1-CG2 4.08Å; V552-V554 PolarHBondContact O-N 3.06Å
553G93.2Very high89Confident10 Ų1059.6 Ų59.610%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-73.4123.1173.400000111.3D495D495-G553 PolarHBondContact N-O 2.85Å
554V94.8Very high89Confident0 Ų059.6 Ų59.60%034%0.337CS..EExtended strand (participates in β ladder)trans-129.5137.5-178.1178.10000112.1I492 V493 I494 L527 V536 T543 I545 V552I492-V554 HydrophobicContact CG2-CG1 3.62Å; V493-V554 VanDerWaalsContact O-CA 3.25Å; V493-V554 WeakPolarHBondContact O-CA 3.19Å; I494-V554 HydrophobicContact CB-CG2 4.38Å; I494-V554 HydrophobicContact CG1-CG1 4.38Å; I494-V554 HydrophobicContact CG1-CG2 4.19Å; I494-V554 HydrophobicContact CG2-CG2 4.12Å; L527-V554 HydrophobicContact CD2-CG1 3.79Å; V536-V554 HydrophobicContact CG1-CG1 4Å; V536-V554 HydrophobicContact CG2-CG1 4.21Å; T543-V554 PolarHBondContact N-O 3.33Å; T543-V554 PolarHBondContact O-N 3.28Å; I545-V554 HydrophobicContact CD1-CG2 3.73Å; I545-V554 HydrophobicContact CG1-CB 4.46Å; I545-V554 HydrophobicContact CG1-CG2 3.69Å; V552-V554 HydrophobicContact CG1-CG2 4.08Å; V552-V554 PolarHBondContact O-N 3.06Å
555K93.5Very high88.8Confident77 Ų7753.6 Ų53.634%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-150.3146.817159.4179.8-179-177.50111.9I492 V493 L542 V557I492-K555 WeakPolarHBondContact CA-O 3.45Å; I492-K555 WeakPolarHBondContact CG2-O 3.36Å; V493-K555 HydrophobicContact CB-CG 3.87Å; V493-K555 HydrophobicContact CG1-CG 4.43Å; V493-K555 PolarHBondContact N-O 3.07Å; V493-K555 PolarHBondContact O-N 3.16Å; L542-K555 HydrophobicContact CD1-CB 4.35Å; L542-K555 HydrophobicContact CD1-CD 4.3Å; L542-K555 HydrophobicContact CD1-CG 4.2Å; K555-V557 HydrophobicContact CG-CG2 4.24Å
556F92.9Very high88.8Confident4 Ų455.2 Ų55.22%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-71.8146.8165.6-76.5-89.2000110.8A490 I492 L520 E526 V536 P537 V560 P561A490-F556 HydrophobicContact CB-CD1 4.28Å; A490-F556 HydrophobicContact CB-CE1 4.09Å; I492-F556 HydrophobicContact CD1-CD1 3.94Å; I492-F556 HydrophobicContact CD1-CE1 3.48Å; I492-F556 VanDerWaalsContact CD1-CE1 3.48Å; I492-F556 HydrophobicContact CD1-CE2 4.46Å; I492-F556 HydrophobicContact CD1-CZ 3.77Å; I492-F556 HydrophobicContact CG1-CD1 3.66Å; I492-F556 HydrophobicContact CG1-CE1 3.74Å; I492-F556 HydrophobicContact CG1-CG 4.29Å; I492-F556 HydrophobicContact CG1-CZ 4.41Å; L520-F556 HydrophobicContact CD2-CE1 4.26Å; E526-F556 HydrophobicContact CB-CE2 4.15Å; E526-F556 HydrophobicContact CB-CZ 4.14Å; V536-F556 HydrophobicContact CB-CE2 4.07Å; V536-F556 HydrophobicContact CG1-CD2 3.92Å; V536-F556 HydrophobicContact CG1-CE2 3.8Å; P537-F556 WeakPolarHBondContact O-CD2 3.4Å; F556-V560 HydrophobicContact CB-CG1 3.91Å; F556-V560 HydrophobicContact CB-CG2 3.87Å; F556-V560 HydrophobicContact CD1-CG1 3.86Å; F556-V560 HydrophobicContact CD2-CG1 4.36Å; F556-V560 HydrophobicContact CE1-CG1 4.46Å; F556-V560 HydrophobicContact CG-CG1 3.8Å; F556-P561 HydrophobicContact CE1-CG 4.32Å
557V90Very high88.8Confident57 Ų5751 Ų5135%0.34530%0.299SS..EExtended strand (participates in β ladder)trans-134.5144.3178.8179.70000109.8T491 V493 K555T491-V557 HydrophobicContact CG2-CB 4.4Å; T491-V557 PolarHBondContact O-N 2.92Å; V493-V557 HydrophobicContact CB-CG2 4.39Å; V493-V557 HydrophobicContact CG2-CG2 3.7Å; K555-V557 HydrophobicContact CG-CG2 4.24Å
558G85.2Confident88.7Confident62 Ų6253.7 Ų53.764%0.63932%0.316SS*.SBendtrans69.9-134.5179.500000113.2V560G558-V560 PolarHBondContact O-N 2.88Å
559N82.6Confident88.8Confident159 Ų15953.3 Ų53.385%0.8530%0.303SS*.SBendtrans-78.284.2-173.7-73.1-26.6000112.1
560V84.5Confident89.2Confident36 Ų3648.3 Ų48.322%0.21828%0.277CS..  trans-64.8133.7178.9-163.70000111.4T538 F556 G558 R562T538-V560 HydrophobicContact CG2-CG1 3.79Å; F556-V560 HydrophobicContact CB-CG1 3.91Å; F556-V560 HydrophobicContact CB-CG2 3.87Å; F556-V560 HydrophobicContact CD1-CG1 3.86Å; F556-V560 HydrophobicContact CD2-CG1 4.36Å; F556-V560 HydrophobicContact CE1-CG1 4.46Å; F556-V560 HydrophobicContact CG-CG1 3.8Å; G558-V560 PolarHBondContact O-N 2.88Å; V560-R562 PolarHBondContact O-N 3.43Å
561P84.6Confident89.3Confident6 Ų647.3 Ų47.34%0.03928%0.276CS..  trans-67.2104.7-177.725.4-35000112.7F485 C487 A490 F556F485-P561 HydrophobicContact CB-CB 3.96Å; F485-P561 HydrophobicContact CB-CG 4.34Å; F485-P561 HydrophobicContact CD1-CB 3.82Å; F485-P561 HydrophobicContact CD1-CG 4.03Å; F485-P561 HydrophobicContact CD2-CG 4.13Å; F485-P561 HydrophobicContact CE1-CB 4.46Å; F485-P561 HydrophobicContact CE1-CG 4.33Å; F485-P561 HydrophobicContact CE2-CG 4.41Å; F485-P561 HydrophobicContact CG-CB 3.9Å; F485-P561 HydrophobicContact CG-CG 3.92Å; C487-P561 HydrophobicContact CB-CB 4.08Å; A490-P561 HydrophobicContact CB-CG 4.21Å; F556-P561 HydrophobicContact CE1-CG 4.32Å
562R82.6Confident89.2Confident143 Ų14347.7 Ų47.754%0.5428%0.276SS..  trans-88.7-18.4175.6-61.6-175-176.7-173.8-1.4114.4M287 A290 V560M287-R562 WeakPolarHBondContact CE-O 3.32Å; A290-R562 PolarHBondContact O-NH1 3.47Å; V560-R562 PolarHBondContact O-N 3.43Å
563N88Confident89Confident108 Ų10854.3 Ų54.358%0.57830%0.301SS*.  trans-103.2153.9-177-69.2-32.3000111.3R486R486-N563 HydrophobicContact CB-CB 3.84Å; R486-N563 HydrophobicContact CG-CB 4.48Å; R486-N563 PolarHBondContact N-O 3.03Å
564V91Very high88.8Confident34 Ų3453.9 Ų53.921%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-122.3160.9177.3-64.30000111.4I458 V483 R484 F485 P523I458-V564 HydrophobicContact CD1-CG2 4.41Å; I458-V564 HydrophobicContact CG1-CG2 4.35Å; I458-V564 HydrophobicContact CG2-CG2 4.18Å; V483-V564 HydrophobicContact CG1-CB 3.99Å; V483-V564 HydrophobicContact CG1-CG1 4.26Å; V483-V564 HydrophobicContact CG1-CG2 4.37Å; R484-V564 CarbonylContact O-C 3.57Å; R484-V564 WeakPolarHBondContact O-CA 3.38Å; F485-V564 HydrophobicContact CD1-CG1 4.31Å; P523-V564 HydrophobicContact CG-CG1 3.63Å
565N90Very high88.6Confident7 Ų754 Ų544%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-121.5128.7166.6-57.1-61.4000108.6I419 R484 F485 R486I419-N565 HydrophobicContact CG2-CB 4.05Å; I419-N565 VanDerWaalsContact CG2-OD1 3.28Å; I419-N565 WeakPolarHBondContact CG2-OD1 3.02Å; R484-N565 HydrophobicContact CG-CB 4.41Å; R484-N565 PolarHBondContact N-O 2.6Å; R484-N565 VanDerWaalsContact N-O 3.1Å; R484-N565 PolarHBondContact O-N 3.27Å; F485-N565 PolarHBondContact O-ND2 2.89Å; R486-N565 WeakPolarHBondContact CA-ND2 3.39Å; R486-N565 VanDerWaalsContact CB-ND2 3.31Å; R486-N565 WeakPolarHBondContact CB-ND2 3.38Å; R486-N565 WeakPolarHBondContact CD-OD1 3.31Å; R486-N565 WeakPolarHBondContact CG-OD1 3.49Å; R486-N565 PolarHBondContact NH1-OD1 3.06Å; R486-N565 VanDerWaalsContact NH1-OD1 3.08Å
566V92Very high88.5Confident45 Ų4556.4 Ų56.427%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-82.1124.8163.7-177.70000107.5I458 I474 I476 H481I458-V566 HydrophobicContact CD1-CG2 4.05Å; I458-V566 HydrophobicContact CG2-CG2 4.23Å; I474-V566 HydrophobicContact CD1-CG1 4.04Å; I474-V566 HydrophobicContact CD1-CG2 3.89Å; I476-V566 HydrophobicContact CD1-CG1 4.02Å; H481-V566 HydrophobicContact CB-CG1 3.64Å
567L90.3Very high88.5Confident11 Ų1157 Ų576%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-82.9166.7-179.4-65-177.7000111.8V439 H481 A482 R484V439-L567 HydrophobicContact CB-CD1 3.78Å; V439-L567 HydrophobicContact CG1-CD1 4.09Å; H481-L567 PolarHBondContact ND1-O 2.78Å; A482-L567 HydrophobicContact CB-CB 4.31Å; A482-L567 HydrophobicContact CB-CD1 3.93Å; A482-L567 HydrophobicContact CB-CG 4.46Å; A482-L567 WeakPolarHBondContact O-CB 3.42Å; A482-L567 PolarHBondContact O-N 2.87Å; R484-L567 HydrophobicContact CG-CD1 4.3Å; R484-L567 HydrophobicContact CG-CD2 4.23Å; R484-L567 HydrophobicContact CG-CG 4.32Å
568P89Confident88.6Confident61 Ų6154.3 Ų54.340%0.39629%0.294SS..EExtended strand (participates in β ladder)trans-57159.1176.9-28.639.4000113.7N436 I570N436-P568 WeakPolarHBondContact O-CG 3.32Å; P568-I570 PolarHBondContact O-N 2.87Å
569P88.7Confident89Confident51 Ų5152.7 Ų52.733%0.33128%0.277SS..EExtended strand (participates in β ladder)trans-55.6132177.8-21.830.2000112.1R479 P571R479-P569 HydrophobicContact CB-CB 4.28Å; R479-P569 HydrophobicContact CG-CB 4.46Å; P569-P571 WeakPolarHBondContact O-CD 3.48Å
570I90.4Very high89.4Confident7 Ų750.3 Ų50.34%0.03626%0.261CS..PPolyproline II helixtrans-94.8120.9-178.8-51.1173.8000109.6I437 L444 L473 I480 A482 P568 L574 L575I437-I570 HydrophobicContact CG2-CG2 4.49Å; L444-I570 HydrophobicContact CD1-CD1 4.06Å; L444-I570 HydrophobicContact CD1-CG2 3.82Å; L444-I570 HydrophobicContact CD2-CD1 3.73Å; L473-I570 HydrophobicContact CD2-CD1 4.16Å; I480-I570 PolarHBondContact O-N 3.27Å; A482-I570 HydrophobicContact CB-CD1 3.82Å; P568-I570 PolarHBondContact O-N 2.87Å; I570-L574 HydrophobicContact CG2-CB 4.4Å; I570-L575 HydrophobicContact CB-CD1 4.17Å; I570-L575 HydrophobicContact CB-CG 4.26Å; I570-L575 HydrophobicContact CD1-CD2 4.46Å; I570-L575 HydrophobicContact CG2-CD1 4.16Å; I570-L575 HydrophobicContact CG2-CD2 4.12Å; I570-L575 HydrophobicContact CG2-CG 3.71Å
571P88.6Confident89.8Confident42 Ų4250.3 Ų50.327%0.27327%0.268SS..PPolyproline II helixtrans-53.9132.4174.9-28.533.8000113.4P569 R573 L574 L575P569-P571 WeakPolarHBondContact O-CD 3.48Å; P571-R573 PolarHBondContact O-N 3.37Å; P571-R573 VanDerWaalsContact O-N 3.07Å; P571-L574 HydrophobicContact CB-CD1 4.36Å; P571-L574 HydrophobicContact CB-CG 4.21Å; P571-L574 HydrophobicContact CG-CD1 4.09Å; P571-L574 HydrophobicContact CG-CG 4.48Å; P571-L574 PolarHBondContact O-N 2.96Å; P571-L575 PolarHBondContact O-N 3.46Å
572P89.2Confident90.1Very high81 Ų8150.2 Ų50.253%0.52627%0.267SS..Hα-helixtrans-50.8-34.4177.1-33.238.2000114.8W266 L575 K576W266-P572 HydrophobicContact CE3-CB 4.32Å; W266-P572 HydrophobicContact CH2-CB 3.98Å; W266-P572 HydrophobicContact CH2-CG 4.44Å; W266-P572 HydrophobicContact CZ3-CB 3.57Å; W266-P572 HydrophobicContact CZ3-CG 3.92Å; P572-L575 PolarHBondContact O-N 2.94Å; P572-K576 WeakPolarHBondContact O-CB 3.31Å; P572-K576 PolarHBondContact O-N 3.2Å
573R87.8Confident90.5Very high139 Ų13943.5 Ų43.553%0.52524%0.242SC..Hα-helixtrans-61-43.1176.5-173.3175.7-178.1169.81.6112.2P571 K576 W577P571-R573 PolarHBondContact O-N 3.37Å; P571-R573 VanDerWaalsContact O-N 3.07Å; R573-K576 PolarHBondContact O-N 3.42Å; R573-W577 HydrophobicContact CG-CD2 4.01Å; R573-W577 HydrophobicContact CG-CE3 4.16Å; R573-W577 HydrophobicContact CG-CH2 4.37Å; R573-W577 HydrophobicContact CG-CZ2 4.16Å; R573-W577 HydrophobicContact CG-CZ3 4.33Å; R573-W577 WeakPolarHBondContact O-CB 3.33Å; R573-W577 VanDerWaalsContact O-CG 3.24Å; R573-W577 PolarHBondContact O-N 2.93Å
574L89.1Confident90.7Very high1 Ų139.1 Ų39.11%0.00522%0.222CC..Hα-helixtrans-69.8-40.7178.2-60.2-178.5000111.2F431 M434 I437 I570 P571 K576 W577 A578 F583F431-L574 HydrophobicContact CD1-CD2 4.44Å; F431-L574 HydrophobicContact CE1-CD2 4.26Å; M434-L574 HydrophobicContact CG-CD1 3.85Å; M434-L574 HydrophobicContact CG-CD2 3.64Å; M434-L574 HydrophobicContact CG-CG 4.43Å; M434-L574 HydrophobicContact SD-CD2 4.04Å; I437-L574 HydrophobicContact CG2-CD1 4.02Å; I570-L574 HydrophobicContact CG2-CB 4.4Å; P571-L574 HydrophobicContact CB-CD1 4.36Å; P571-L574 HydrophobicContact CB-CG 4.21Å; P571-L574 HydrophobicContact CG-CD1 4.09Å; P571-L574 HydrophobicContact CG-CG 4.48Å; P571-L574 PolarHBondContact O-N 2.96Å; L574-K576 VanDerWaalsContact C-N 3.33Å; L574-K576 PolarHBondContact O-N 3.35Å; L574-W577 HydrophobicContact CD2-CE3 4.22Å; L574-W577 PolarHBondContact O-N 3.04Å; L574-A578 WeakPolarHBondContact O-CB 3.36Å; L574-A578 PolarHBondContact O-N 2.61Å; L574-F583 HydrophobicContact CD2-CZ 3.86Å
575L91Very high90.8Very high2 Ų240 Ų401%0.0123%0.23CC..Hα-helixtrans-63.1-37.6173.9-74167.2000112.4W266 L444 R469 L473 I480 I570 P571 P572 G579W266-L575 HydrophobicContact CH2-CB 4.21Å; W266-L575 HydrophobicContact CH2-CD1 3.9Å; W266-L575 HydrophobicContact CZ2-CB 4.01Å; W266-L575 HydrophobicContact CZ2-CD1 4.26Å; L444-L575 HydrophobicContact CB-CD2 4.41Å; L444-L575 HydrophobicContact CD1-CD2 4.47Å; L444-L575 HydrophobicContact CD2-CD2 4.46Å; R469-L575 PolarHBondContact NH1-O 3.45Å; L473-L575 HydrophobicContact CD1-CD2 4.04Å; I480-L575 HydrophobicContact CB-CD1 3.79Å; I480-L575 HydrophobicContact CG1-CD1 4.19Å; I480-L575 HydrophobicContact CG2-CD1 3.79Å; I570-L575 HydrophobicContact CB-CD1 4.17Å; I570-L575 HydrophobicContact CB-CG 4.26Å; I570-L575 HydrophobicContact CD1-CD2 4.46Å; I570-L575 HydrophobicContact CG2-CD1 4.16Å; I570-L575 HydrophobicContact CG2-CD2 4.12Å; I570-L575 HydrophobicContact CG2-CG 3.71Å; P571-L575 PolarHBondContact O-N 3.46Å; P572-L575 PolarHBondContact O-N 2.94Å; L575-G579 PolarHBondContact O-N 3.2Å; L575-G579 VanDerWaalsContact O-N 3.15Å
576K91.5Very high90.8Very high128 Ų12840.3 Ų40.356%0.55723%0.233SC*.Hα-helixtrans-62.8-51.6172.5-173.9-177175.8-178.30110.6P572 R573 L574 G579 Q580P572-K576 WeakPolarHBondContact O-CB 3.31Å; P572-K576 PolarHBondContact O-N 3.2Å; R573-K576 PolarHBondContact O-N 3.42Å; L574-K576 VanDerWaalsContact C-N 3.33Å; L574-K576 PolarHBondContact O-N 3.35Å; K576-G579 CarbonylContact O-C 3.55Å; K576-G579 PolarHBondContact O-N 2.88Å; K576-Q580 WeakPolarHBondContact O-CG 3.16Å; K576-Q580 PolarHBondContact O-N 3.18Å
577W92.1Very high90.8Very high16 Ų1641.8 Ų41.86%0.06124%0.235CC..Hα-helixtrans-67.3-39-175.6-71.9-13.1000114.7F431 R573 L574 G579 Q580 G581 L582 F583 P596 L600F431-W577 HydrophobicContact CD2-CH2 4.39Å; F431-W577 HydrophobicContact CD2-CZ3 4.09Å; F431-W577 AromaticContact CE1-CZ3 3.89Å; F431-W577 HydrophobicContact CE1-CZ3 3.89Å; F431-W577 AromaticContact CE2-CH2 3.42Å; F431-W577 HydrophobicContact CE2-CH2 3.42Å; F431-W577 VanDerWaalsContact CE2-CH2 3.42Å; F431-W577 AromaticContact CE2-CZ3 3.39Å; F431-W577 HydrophobicContact CE2-CZ3 3.39Å; F431-W577 HydrophobicContact CZ-CE3 4.43Å; F431-W577 AromaticContact CZ-CH2 3.49Å; F431-W577 HydrophobicContact CZ-CH2 3.49Å; F431-W577 VanDerWaalsContact CZ-CH2 3.49Å; F431-W577 AromaticContact CZ-CZ3 3.27Å; F431-W577 HydrophobicContact CZ-CZ3 3.27Å; R573-W577 HydrophobicContact CG-CD2 4.01Å; R573-W577 HydrophobicContact CG-CE3 4.16Å; R573-W577 HydrophobicContact CG-CH2 4.37Å; R573-W577 HydrophobicContact CG-CZ2 4.16Å; R573-W577 HydrophobicContact CG-CZ3 4.33Å; R573-W577 WeakPolarHBondContact O-CB 3.33Å; R573-W577 VanDerWaalsContact O-CG 3.24Å; R573-W577 PolarHBondContact O-N 2.93Å; L574-W577 HydrophobicContact CD2-CE3 4.22Å; L574-W577 PolarHBondContact O-N 3.04Å; W577-G579 VanDerWaalsContact C-N 3.33Å; W577-Q580 CarbonylContact O-C 3.55Å; W577-Q580 WeakPolarHBondContact O-CA 3.42Å; W577-Q580 PolarHBondContact O-N 3.29Å; W577-Q580 VanDerWaalsContact O-N 3.11Å; W577-G581 PolarHBondContact O-N 3.09Å; W577-G581 VanDerWaalsContact O-N 3.13Å; W577-L582 HydrophobicContact CB-CB 4.36Å; W577-L582 HydrophobicContact CB-CD1 3.95Å; W577-L582 VanDerWaalsContact CD1-CD1 3.48Å; W577-L582 HydrophobicContact CD2-CD1 4.48Å; W577-L582 HydrophobicContact CG-CD1 3.76Å; W577-L582 PolarHBondContact O-N 3.25Å; W577-L582 VanDerWaalsContact O-N 3.09Å; W577-F583 HydrophobicContact CB-CE2 3.77Å; W577-F583 HydrophobicContact CB-CZ 4.22Å; W577-F583 HydrophobicContact CE3-CZ 4.13Å; W577-P596 HydrophobicContact CD2-CB 3.99Å; W577-P596 HydrophobicContact CD2-CG 4.41Å; W577-P596 HydrophobicContact CE3-CB 3.6Å; W577-P596 HydrophobicContact CE3-CG 3.53Å; W577-P596 HydrophobicContact CH2-CB 4.27Å; W577-P596 HydrophobicContact CH2-CG 4.09Å; W577-P596 HydrophobicContact CZ3-CB 3.76Å; W577-P596 HydrophobicContact CZ3-CG 3.34Å; W577-L600 HydrophobicContact CZ2-CD1 3.59Å
578A92.7Very high90.7Very high2 Ų244.5 Ų44.52%0.01725%0.25CS..Hα-helixtrans-65.6-38171.700000111.5P441 L444 S445 L574 Q580 G581 F583P441-A578 VanDerWaalsContact O-CB 3.24Å; P441-A578 WeakPolarHBondContact O-CB 3.36Å; L444-A578 HydrophobicContact CB-CB 3.65Å; L444-A578 WeakPolarHBondContact O-CB 3.5Å; S445-A578 WeakPolarHBondContact CA-O 3.33Å; S445-A578 PolarHBondContact OG-O 2.84Å; L574-A578 WeakPolarHBondContact O-CB 3.36Å; L574-A578 PolarHBondContact O-N 2.61Å; A578-Q580 PolarHBondContact O-N 3.49Å; A578-G581 PolarHBondContact O-N 3.06Å; A578-F583 HydrophobicContact CB-CD2 3.97Å; A578-F583 HydrophobicContact CB-CE2 4.18Å
579G92.5Very high90.6Very high27 Ų2742.4 Ų42.428%0.27824%0.235SC..Hα-helixtrans-64.5-22171.100000114.2L575 K576 W577L575-G579 PolarHBondContact O-N 3.2Å; L575-G579 VanDerWaalsContact O-N 3.15Å; K576-G579 CarbonylContact O-C 3.55Å; K576-G579 PolarHBondContact O-N 2.88Å; W577-G579 VanDerWaalsContact C-N 3.33Å
580Q92.3Very high90.4Very high109 Ų10944.6 Ų44.651%0.50924%0.24SC..THydrogen-bonded Turntrans-92-1.1173-67.4178.6-79.200113.4K576 W577 A578 L582K576-Q580 WeakPolarHBondContact O-CG 3.16Å; K576-Q580 PolarHBondContact O-N 3.18Å; W577-Q580 CarbonylContact O-C 3.55Å; W577-Q580 WeakPolarHBondContact O-CA 3.42Å; W577-Q580 PolarHBondContact O-N 3.29Å; W577-Q580 VanDerWaalsContact O-N 3.11Å; A578-Q580 PolarHBondContact O-N 3.49Å; Q580-L582 VanDerWaalsContact C-N 3.28Å; Q580-L582 HydrophobicContact CB-CD1 4.17Å; Q580-L582 HydrophobicContact CB-CG 3.95Å; Q580-L582 PolarHBondContact O-N 2.74Å
581G91.9Very high90.2Very high37 Ų3749.5 Ų49.538%0.38126%0.264SS..THydrogen-bonded Turntrans7310.8-179.200000115.6W577 A578 F583 G584W577-G581 PolarHBondContact O-N 3.09Å; W577-G581 VanDerWaalsContact O-N 3.13Å; A578-G581 PolarHBondContact O-N 3.06Å; G581-F583 PolarHBondContact O-N 3Å; G581-G584 PolarHBondContact O-N 3.26Å
582L92.3Very high89.9Confident4 Ų451.1 Ų51.12%0.02128%0.281CS..THydrogen-bonded Turntrans-66.7-9.5-172.9-64172.9000114.7W577 Q580 P596 E599 L600 L603W577-L582 HydrophobicContact CB-CB 4.36Å; W577-L582 HydrophobicContact CB-CD1 3.95Å; W577-L582 VanDerWaalsContact CD1-CD1 3.48Å; W577-L582 HydrophobicContact CD2-CD1 4.48Å; W577-L582 HydrophobicContact CG-CD1 3.76Å; W577-L582 PolarHBondContact O-N 3.25Å; W577-L582 VanDerWaalsContact O-N 3.09Å; Q580-L582 VanDerWaalsContact C-N 3.28Å; Q580-L582 HydrophobicContact CB-CD1 4.17Å; Q580-L582 HydrophobicContact CB-CG 3.95Å; Q580-L582 PolarHBondContact O-N 2.74Å; L582-P596 HydrophobicContact CB-CB 3.91Å; L582-E599 HydrophobicContact CD2-CB 4.09Å; L582-E599 HydrophobicContact CD2-CG 3.58Å; L582-L600 HydrophobicContact CD1-CD1 4.16Å; L582-L600 HydrophobicContact CD1-CD2 3.9Å; L582-L600 HydrophobicContact CD1-CG 3.89Å; L582-L600 HydrophobicContact CD2-CD2 4.36Å; L582-L600 HydrophobicContact CD2-CG 4.38Å; L582-L603 HydrophobicContact CD2-CD1 3.81Å
583F91.1Very high89.8Confident1 Ų148 Ų480%0.00426%0.261CS..THydrogen-bonded Turntrans-95.41.2171.9-61.1-70.5000113.1I428 M434 P441 R442 L574 W577 A578 G581 P593 L594 P596I428-F583 HydrophobicContact CD1-CD1 4.01Å; I428-F583 HydrophobicContact CD1-CE1 4.1Å; M434-F583 HydrophobicContact CE-CD1 3.99Å; M434-F583 HydrophobicContact CE-CE1 3.35Å; M434-F583 HydrophobicContact CE-CZ 3.89Å; M434-F583 HydrophobicContact SD-CE1 3.67Å; M434-F583 HydrophobicContact SD-CZ 4.1Å; P441-F583 HydrophobicContact CB-CB 4.35Å; P441-F583 HydrophobicContact CB-CD1 4.02Å; P441-F583 HydrophobicContact CB-CD2 3.72Å; P441-F583 HydrophobicContact CB-CE1 4.23Å; P441-F583 HydrophobicContact CB-CE2 3.94Å; P441-F583 HydrophobicContact CB-CG 3.76Å; P441-F583 HydrophobicContact CB-CZ 4.2Å; P441-F583 HydrophobicContact CG-CB 4.22Å; P441-F583 HydrophobicContact CG-CD1 3.91Å; P441-F583 HydrophobicContact CG-CD2 4.4Å; P441-F583 HydrophobicContact CG-CE1 4.38Å; P441-F583 HydrophobicContact CG-CG 3.92Å; R442-F583 VanDerWaalsContact CD-O 3.29Å; R442-F583 WeakPolarHBondContact CD-O 3.49Å; R442-F583 HydrophobicContact CG-CB 3.75Å; R442-F583 VanDerWaalsContact CG-O 3.3Å; R442-F583 WeakPolarHBondContact CG-O 3.44Å; L574-F583 HydrophobicContact CD2-CZ 3.86Å; W577-F583 HydrophobicContact CB-CE2 3.77Å; W577-F583 HydrophobicContact CB-CZ 4.22Å; W577-F583 HydrophobicContact CE3-CZ 4.13Å; A578-F583 HydrophobicContact CB-CD2 3.97Å; A578-F583 HydrophobicContact CB-CE2 4.18Å; G581-F583 PolarHBondContact O-N 3Å; F583-P593 HydrophobicContact CB-CB 4.23Å; F583-P593 CarbonylContact O-C 3.56Å; F583-P593 WeakPolarHBondContact O-CA 3.46Å; F583-L594 WeakPolarHBondContact CD1-O 3.35Å; F583-L594 PolarHBondContact O-N 3.08Å; F583-P596 HydrophobicContact CD1-CG 4.32Å; F583-P596 HydrophobicContact CE1-CB 4.08Å; F583-P596 HydrophobicContact CE1-CG 3.55Å; F583-P596 HydrophobicContact CZ-CB 4.29Å; F583-P596 HydrophobicContact CZ-CG 3.96Å
584G91.6Very high89.8Confident16 Ų1645.6 Ų45.617%0.16526%0.257CS..  trans87.5178.6-171.800000113.5R442 G581R442-G584 WeakPolarHBondContact CG-O 2.99Å; G581-G584 PolarHBondContact O-N 3.26Å
585S92.2Very high89.8Confident52 Ų5247 Ų4736%0.36427%0.265SS..  trans-78.4139.5-176.2-176.50000112.7K587 N588S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 PolarHBondContact OG-N 3.2Å; S585-N588 PolarHBondContact O-N 3.39Å
586P91.2Very high89.6Confident15 Ų1547 Ų4710%0.09727%0.265CS..THydrogen-bonded Turntrans-672.6169.626.2-32.3000114.6R442 M443 V470 L589R442-P586 HydrophobicContact CB-CB 4.19Å; M443-P586 HydrophobicContact SD-CB 4.19Å; V470-P586 HydrophobicContact CG2-CG 4.19Å; P586-L589 WeakPolarHBondContact O-CD1 3.22Å; P586-L589 WeakPolarHBondContact O-CG 3.37Å
587K90.5Very high89.4Confident75 Ų7544.6 Ų44.633%0.32626%0.257SS..THydrogen-bonded Turntrans-74.4-30.7161.9-65.2-171.4178.3-156.60112.6D530 S585 L589 F590D530-K587 HydrophobicContact CB-CD 4.29Å; D530-K587 HydrophobicContact CB-CG 4.05Å; D530-K587 VanDerWaalsContact O-CE 3.26Å; D530-K587 WeakPolarHBondContact O-CE 3.39Å; D530-K587 VanDerWaalsContact O-CG 3.24Å; D530-K587 WeakPolarHBondContact O-CG 3.33Å; D530-K587 IonicContact OD2-NZ 2.69Å; S585-K587 PolarHBondContact O-N 3.34Å; S585-K587 PolarHBondContact OG-N 3.2Å; K587-L589 VanDerWaalsContact C-N 3.3Å; K587-L589 PolarHBondContact O-N 3.06Å; K587-F590 WeakPolarHBondContact O-CE1 3.34Å
588N89.7Confident89.1Confident69 Ų6951 Ų5137%0.36929%0.286SS..  trans-95.230.3-170.7-61.113.8000111.9R442 S585 F590 M591R442-N588 PolarHBondContact NH1-O 3Å; S585-N588 PolarHBondContact O-N 3.39Å; N588-F590 PolarHBondContact O-N 2.76Å; N588-M591 WeakPolarHBondContact O-CB 3.43Å; N588-M591 PolarHBondContact O-N 2.82Å
589L86.5Confident88.9Confident16 Ų1652.9 Ų52.98%0.08429%0.294CS..THydrogen-bonded Turntrans-58.4-21.9-177.3-71.3166.8000113.6D440 M443 F506 V517 P586 K587 M591D440-L589 HydrophobicContact CB-CD2 4.16Å; M443-L589 HydrophobicContact CG-CD2 4.29Å; M443-L589 HydrophobicContact SD-CD1 3.9Å; M443-L589 HydrophobicContact SD-CD2 4.26Å; F506-L589 HydrophobicContact CD1-CB 3.77Å; F506-L589 HydrophobicContact CE1-CB 4.2Å; F506-L589 VanDerWaalsContact CE1-O 3.32Å; F506-L589 WeakPolarHBondContact CE1-O 3.45Å; F506-L589 HydrophobicContact CG-CB 4.35Å; V517-L589 HydrophobicContact CG1-CB 4.26Å; V517-L589 HydrophobicContact CG1-CD1 4.19Å; P586-L589 WeakPolarHBondContact O-CD1 3.22Å; P586-L589 WeakPolarHBondContact O-CG 3.37Å; K587-L589 VanDerWaalsContact C-N 3.3Å; K587-L589 PolarHBondContact O-N 3.06Å; L589-M591 PolarHBondContact O-N 2.82Å
590F84Confident88.7Confident97 Ų9754.7 Ų54.743%0.42530%0.297SS..THydrogen-bonded Turntrans-73.1-7.6172.860.9-93.3000114.5F506 V517 K587 N588F506-F590 HydrophobicContact CE1-CB 4.38Å; F506-F590 HydrophobicContact CE2-CB 4.05Å; F506-F590 VanDerWaalsContact CZ-CA 3.48Å; F506-F590 HydrophobicContact CZ-CB 3.64Å; V517-F590 HydrophobicContact CG2-CD1 3.97Å; V517-F590 HydrophobicContact CG2-CE1 4.35Å; K587-F590 WeakPolarHBondContact O-CE1 3.34Å; N588-F590 PolarHBondContact O-N 2.76Å
591M86.2Confident88.5Confident111 Ų11151.6 Ų51.655%0.54729%0.29SS..SBendtrans-105.8163.7170.1-52.7-170.87900110R442 N588 L589R442-M591 VanDerWaalsContact CZ-O 3.3Å; R442-M591 PolarHBondContact NH1-O 2.93Å; R442-M591 PolarHBondContact NH2-O 3.44Å; N588-M591 WeakPolarHBondContact O-CB 3.43Å; N588-M591 PolarHBondContact O-N 2.82Å; L589-M591 PolarHBondContact O-N 2.82Å
592A83.2Confident88.2Confident76 Ų7654.5 Ų54.563%0.62829%0.289SS*.PPolyproline II helixtrans-61.2148.1165.100000111.1R442R442-A592 PolarHBondContact NH1-O 3.1Å
593P86.5Confident87.8Confident15 Ų1558.4 Ų58.410%0.09731%0.31CS..PPolyproline II helixtrans-68151.6170.928.2-32.8000111.5W424 I428 P441 R442 F583W424-P593 HydrophobicContact CZ2-CG 4.06Å; I428-P593 HydrophobicContact CD1-CB 4.38Å; I428-P593 HydrophobicContact CD1-CG 3.98Å; P441-P593 HydrophobicContact CG-CB 4.2Å; P441-P593 HydrophobicContact CG-CG 4.35Å; R442-P593 HydrophobicContact CG-CB 4.3Å; F583-P593 HydrophobicContact CB-CB 4.23Å; F583-P593 CarbonylContact O-C 3.56Å; F583-P593 WeakPolarHBondContact O-CA 3.46Å
594L88.7Confident87.4Confident88 Ų8862 Ų6246%0.46134%0.339SS..PPolyproline II helixtrans-68.9148.9176.2-57.1-179.8000111.2F583F583-L594 WeakPolarHBondContact CD1-O 3.35Å; F583-L594 PolarHBondContact O-N 3.08Å
595N88.3Confident86.7Confident32 Ų3268 Ų6817%0.17136%0.363CS..PPolyproline II helixtrans-79.3118.3174.1-175.9-42.4000109.6I428 N429 I597 K598 E599I428-N595 HydrophobicContact CG2-CB 3.81Å; I428-N595 VanDerWaalsContact CG2-ND2 3.31Å; I428-N595 WeakPolarHBondContact CG2-ND2 3.28Å; N429-N595 PolarHBondContact O-ND2 3.38Å; N595-I597 VanDerWaalsContact C-N 3.27Å; N595-I597 PolarHBondContact O-N 3.34Å; N595-I597 WeakPolarHBondContact OD1-CB 3.42Å; N595-I597 PolarHBondContact OD1-N 2.81Å; N595-K598 HydrophobicContact CB-CB 4.26Å; N595-K598 HydrophobicContact CB-CD 4.5Å; N595-K598 HydrophobicContact CB-CG 4.18Å; N595-K598 PolarHBondContact O-N 2.7Å; N595-K598 PolarHBondContact OD1-N 2.85Å; N595-E599 PolarHBondContact O-N 2.92Å
596P87.7Confident85.4Confident0 Ų071.1 Ų71.10%037%0.372CS..Hα-helixtrans-69.6-22.4-173.830.6-38000113.1W577 L582 F583 L600W577-P596 HydrophobicContact CD2-CB 3.99Å; W577-P596 HydrophobicContact CD2-CG 4.41Å; W577-P596 HydrophobicContact CE3-CB 3.6Å; W577-P596 HydrophobicContact CE3-CG 3.53Å; W577-P596 HydrophobicContact CH2-CB 4.27Å; W577-P596 HydrophobicContact CH2-CG 4.09Å; W577-P596 HydrophobicContact CZ3-CB 3.76Å; W577-P596 HydrophobicContact CZ3-CG 3.34Å; L582-P596 HydrophobicContact CB-CB 3.91Å; F583-P596 HydrophobicContact CD1-CG 4.32Å; F583-P596 HydrophobicContact CE1-CB 4.08Å; F583-P596 HydrophobicContact CE1-CG 3.55Å; F583-P596 HydrophobicContact CZ-CB 4.29Å; F583-P596 HydrophobicContact CZ-CG 3.96Å; P596-L600 VanDerWaalsContact O-CB 3.31Å; P596-L600 WeakPolarHBondContact O-CB 3.44Å; P596-L600 WeakPolarHBondContact O-CD1 3.49Å; P596-L600 WeakPolarHBondContact O-CG 3.47Å; P596-L600 PolarHBondContact O-N 3.48Å
597I86.5Confident83.3Confident78 Ų7872.6 Ų72.640%0.439%0.39SS..Hα-helixtrans-69.6-47173.3-55.9178.5000109.5F431 N595 E599 L600 A601F431-I597 HydrophobicContact CD2-CD1 3.77Å; F431-I597 HydrophobicContact CD2-CG1 4.03Å; F431-I597 HydrophobicContact CE2-CD1 3.88Å; F431-I597 HydrophobicContact CE2-CG1 3.99Å; N595-I597 VanDerWaalsContact C-N 3.27Å; N595-I597 PolarHBondContact O-N 3.34Å; N595-I597 WeakPolarHBondContact OD1-CB 3.42Å; N595-I597 PolarHBondContact OD1-N 2.81Å; I597-E599 PolarHBondContact O-N 2.83Å; I597-L600 PolarHBondContact O-N 3.25Å; I597-A601 PolarHBondContact O-N 2.97Å
598K86.6Confident81Confident150 Ų15080.1 Ų80.165%0.65242%0.418SS*.Hα-helixtrans-63-42.6178.7-67.8-163.8173.8-165.10111.8N595 A601 R602N595-K598 HydrophobicContact CB-CB 4.26Å; N595-K598 HydrophobicContact CB-CD 4.5Å; N595-K598 HydrophobicContact CB-CG 4.18Å; N595-K598 PolarHBondContact O-N 2.7Å; N595-K598 PolarHBondContact OD1-N 2.85Å; K598-A601 PolarHBondContact O-N 3.36Å; K598-R602 WeakPolarHBondContact O-CB 3.43Å; K598-R602 PolarHBondContact O-N 3.08Å
599E87.8Confident78.5Confident43 Ų4382.7 Ų82.720%0.20144%0.441CS..Hα-helixtrans-68.7-33.7177.9-174.459.1-166.500112.2L582 N595 I597 R602 L603L582-E599 HydrophobicContact CD2-CB 4.09Å; L582-E599 HydrophobicContact CD2-CG 3.58Å; N595-E599 PolarHBondContact O-N 2.92Å; I597-E599 PolarHBondContact O-N 2.83Å; E599-R602 IonicContact OE1-CZ 2.86Å; E599-R602 IonicContact OE1-NE 2.69Å; E599-R602 PolarHBondContact OE1-NE 2.9Å; E599-R602 IonicContact OE1-NH2 3.95Å; E599-R602 PolarHBondContact OE1-NH2 3.06Å; E599-R602 IonicContact OE2-CZ 2.84Å; E599-R602 IonicContact OE2-NE 3.48Å; E599-R602 PolarHBondContact OE2-NE 3.16Å; E599-R602 IonicContact OE2-NH2 3.52Å; E599-L603 HydrophobicContact CG-CD1 4.22Å; E599-L603 WeakPolarHBondContact O-CB 3.31Å; E599-L603 WeakPolarHBondContact O-CD1 3.24Å; E599-L603 WeakPolarHBondContact O-CG 3.19Å; E599-L603 PolarHBondContact O-N 3.29Å
600L87.9Confident76.2Confident65 Ų6585.7 Ų85.734%0.3446%0.464SS..Hα-helixtrans-67.4-38171.7-76.5168.3000113.1W577 L582 P596 I597 L603 A604W577-L600 HydrophobicContact CZ2-CD1 3.59Å; L582-L600 HydrophobicContact CD1-CD1 4.16Å; L582-L600 HydrophobicContact CD1-CD2 3.9Å; L582-L600 HydrophobicContact CD1-CG 3.89Å; L582-L600 HydrophobicContact CD2-CD2 4.36Å; L582-L600 HydrophobicContact CD2-CG 4.38Å; P596-L600 VanDerWaalsContact O-CB 3.31Å; P596-L600 WeakPolarHBondContact O-CB 3.44Å; P596-L600 WeakPolarHBondContact O-CD1 3.49Å; P596-L600 WeakPolarHBondContact O-CG 3.47Å; P596-L600 PolarHBondContact O-N 3.48Å; I597-L600 PolarHBondContact O-N 3.25Å; L600-L603 PolarHBondContact O-N 2.92Å; L600-A604 PolarHBondContact O-N 2.89Å; L600-A604 VanDerWaalsContact O-N 3.08Å
601A87.3Confident73.9Confident43 Ų4392.8 Ų92.836%0.35549%0.488SS..Hα-helixtrans-63.3-50.3173.700000110.9I597 K598 L603 A604 E605I597-A601 PolarHBondContact O-N 2.97Å; K598-A601 PolarHBondContact O-N 3.36Å; A601-L603 VanDerWaalsContact C-N 3.28Å; A601-L603 PolarHBondContact O-N 3.44Å; A601-A604 WeakPolarHBondContact O-CA 3.46Å; A601-A604 WeakPolarHBondContact O-CB 3.31Å; A601-A604 PolarHBondContact O-N 3.07Å; A601-E605 WeakPolarHBondContact O-CG 3.48Å; A601-E605 PolarHBondContact O-N 3.28Å
602R85.9Confident71.5Confident98 Ų9893.7 Ų93.737%0.3750%0.495SS..Hα-helixtrans-54.6-42.5175.5-162.3-167.369.871.52.2112.4K598 E599 A604 E605 H606K598-R602 WeakPolarHBondContact O-CB 3.43Å; K598-R602 PolarHBondContact O-N 3.08Å; E599-R602 IonicContact OE1-CZ 2.86Å; E599-R602 IonicContact OE1-NE 2.69Å; E599-R602 PolarHBondContact OE1-NE 2.9Å; E599-R602 IonicContact OE1-NH2 3.95Å; E599-R602 PolarHBondContact OE1-NH2 3.06Å; E599-R602 IonicContact OE2-CZ 2.84Å; E599-R602 IonicContact OE2-NE 3.48Å; E599-R602 PolarHBondContact OE2-NE 3.16Å; E599-R602 IonicContact OE2-NH2 3.52Å; R602-A604 VanDerWaalsContact C-N 3.33Å; R602-A604 PolarHBondContact O-N 3.21Å; R602-E605 WeakPolarHBondContact CA-OE2 3.49Å; R602-H606 PolarHBondContact O-N 2.9Å; R602-H606 PolarHBondContact O-ND1 3.44Å
603L84.4Confident69.3Low87 Ų8797.1 Ų97.146%0.45550%0.497SS..Hα-helixtrans-69.6-25.2176.6-73.4170000113.8L582 E599 L600 A601L582-L603 HydrophobicContact CD2-CD1 3.81Å; E599-L603 HydrophobicContact CG-CD1 4.22Å; E599-L603 WeakPolarHBondContact O-CB 3.31Å; E599-L603 WeakPolarHBondContact O-CD1 3.24Å; E599-L603 WeakPolarHBondContact O-CG 3.19Å; E599-L603 PolarHBondContact O-N 3.29Å; L600-L603 PolarHBondContact O-N 2.92Å; A601-L603 VanDerWaalsContact C-N 3.28Å; A601-L603 PolarHBondContact O-N 3.44Å
604A83.2Confident66.9Low75 Ų75101.3 Ų101.362%0.6253%0.534SS*.Hα-helixtrans-78.8-42.8173.700000111.9L600 A601 R602 H606 G607L600-A604 PolarHBondContact O-N 2.89Å; L600-A604 VanDerWaalsContact O-N 3.08Å; A601-A604 WeakPolarHBondContact O-CA 3.46Å; A601-A604 WeakPolarHBondContact O-CB 3.31Å; A601-A604 PolarHBondContact O-N 3.07Å; R602-A604 VanDerWaalsContact C-N 3.33Å; R602-A604 PolarHBondContact O-N 3.21Å; A604-H606 VanDerWaalsContact C-N 3.34Å; A604-H606 PolarHBondContact O-N 3.08Å; A604-G607 WeakPolarHBondContact O-CA 3.48Å; A604-G607 PolarHBondContact O-N 3.4Å; A604-G607 VanDerWaalsContact O-N 3.08Å
605E77.7Confident64.3Low142 Ų142100.6 Ų100.666%0.66454%0.536SS*.Hα-helixtrans-58.8-42.6177.6-69.6153-16200112.3A601 R602 G607A601-E605 WeakPolarHBondContact O-CG 3.48Å; A601-E605 PolarHBondContact O-N 3.28Å; R602-E605 WeakPolarHBondContact CA-OE2 3.49Å; E605-G607 PolarHBondContact O-N 2.93Å
606H63.8Low61.7Low118 Ų118109 Ų10955%0.54657%0.571SS.*THydrogen-bonded Turntrans-81.913.2179.4-6365000112.8R602 A604 Y608R602-H606 PolarHBondContact O-N 2.9Å; R602-H606 PolarHBondContact O-ND1 3.44Å; A604-H606 VanDerWaalsContact C-N 3.34Å; A604-H606 PolarHBondContact O-N 3.08Å; H606-Y608 PolarHBondContact O-N 3.41Å; H606-Y608 VanDerWaalsContact O-N 3.1Å
607G48.1Very low59.3Low47 Ų47113.7 Ų113.749%0.48560%0.6SS.*THydrogen-bonded Turntrans-77.912.4-154.200000119.1A604 E605A604-G607 WeakPolarHBondContact O-CA 3.48Å; A604-G607 PolarHBondContact O-N 3.4Å; A604-G607 VanDerWaalsContact O-N 3.08Å; E605-G607 PolarHBondContact O-N 2.93Å
608Y40.6Very low56.8Low233 Ų233114.2 Ų114.291%0.91460%0.604SS**THydrogen-bonded Turntrans-127.2-19.3179.9-97.7-82.3000117.6H606H606-Y608 PolarHBondContact O-N 3.41Å; H606-Y608 VanDerWaalsContact O-N 3.1Å
609S37.7Very low54.1Low122 Ų122118.5 Ų118.585%0.85362%0.616SS**THydrogen-bonded Turntrans-129.91.6-170.4-59.50000117.6
610S38.7Very low51.5Low80 Ų80122.1 Ų122.156%0.55964%0.643SS**  trans-137.377.9176.8-165.70000113.9N612S610-N612 PolarHBondContact O-N 3.4Å
611R35.2Very low48.9Very low246 Ų246124.4 Ų124.493%0.92866%0.659SS**THydrogen-bonded Turntrans-79.14.4-177.6-135174.9-168.1170.95.3115
612N36.2Very low46.4Very low129 Ų129125.3 Ų125.369%0.6967%0.673SS**THydrogen-bonded Turntrans-112.3-10.1-165.8-70.9-9.3000115.8S610 S615S610-N612 PolarHBondContact O-N 3.4Å; N612-S615 PolarHBondContact O-OG 3.45Å
613H36.8Very low43.8Very low148 Ų148128 Ų12869%0.68570%0.695SS**  trans-89.93.6-174-112.8-79000115.9S615H613-S615 PolarHBondContact O-N 2.86Å
614A36.1Very low41.4Very low104 Ų104127.3 Ų127.386%0.8671%0.709SS**  trans-77.751.4171.500000111.9
615S34.7Very low39.2Very low73 Ų73134 Ų13451%0.5172%0.724SS.*  trans-13623.9-16247.20000114.4N612 H613 V617N612-S615 PolarHBondContact O-OG 3.45Å; H613-S615 PolarHBondContact O-N 2.86Å; S615-V617 PolarHBondContact O-N 2.93Å
616F33.6Very low37Very low208 Ų208138.2 Ų138.291%0.91273%0.734SS**  trans-73.355.3165.8-95.1-83.5000112.4
617V36.5Very low35.6Very low99 Ų99138.4 Ų138.460%0.675%0.745SS**SBendtrans-122.9111.2179.4-178.10000108.8T448 S615 R619T448-V617 HydrophobicContact CG2-CG1 3.61Å; S615-V617 PolarHBondContact O-N 2.93Å; V617-R619 PolarHBondContact O-N 3.13Å
618N33.1Very low34.9Very low89 Ų89141 Ų14148%0.47676%0.756SS.*  trans1.594.6172.7-68.7-25.9000117.3T448T448-N618 HydrophobicContact CG2-CB 4.16Å; T448-N618 VanDerWaalsContact CG2-ND2 3.3Å; T448-N618 WeakPolarHBondContact CG2-ND2 3.3Å; T448-N618 PolarHBondContact OG1-ND2 2.77Å
619R31.6Very low34.9Very low239 Ų239136.1 Ų136.190%0.90275%0.753SS**PPolyproline II helixtrans-92.3118.4159.3-157.8177.1-166.2-163.23.5109.3V617V617-R619 PolarHBondContact O-N 3.13Å
620P32.3Very low34.8Very low119 Ų119139.1 Ų139.177%0.77376%0.755SS**PPolyproline II helixtrans-74.2134.9174.330.3-32.9000110
621V34.2Very low34.8Very low113 Ų113145.4 Ų145.469%0.68577%0.767SS**PPolyproline II helixtrans-89.5125.4166.8178.20000107.5L549L549-V621 WeakPolarHBondContact CD2-O 3.38Å
622G33.4Very low34.9Very low62 Ų62139.7 Ų139.764%0.63976%0.762SS**  trans-139.6138.8173.600000109.9
623N31.4Very low34.8Very low155 Ų155139.5 Ų139.583%0.82976%0.76SS**  trans-75.2144.1-171.1-69.2-16.8000112.7
624G34.8Very low34.9Very low73 Ų73139 Ų13975%0.75376%0.762SS**  trans-162.734.8-168.500000119.8
625K37.5Very low35.1Very low216 Ų216138.6 Ų138.694%0.93976%0.759SS**  trans64.8151.3163.5-62.5-178.5176.8-179.50119.8
626R31.4Very low35.3Very low230 Ų230140.4 Ų140.487%0.86877%0.769SS**  trans-69.1171.1171.7-104.6-176.1-178.8178.21.4111.8
627P34.7Very low35.3Very low122 Ų122137.8 Ų137.879%0.79277%0.765SS**  cis-139.5179.232.241.6-22.2000118.2
628S33.5Very low35.1Very low101 Ų101137.4 Ų137.471%0.70677%0.766SS**  trans-90.7165.5174.6-38.90000113
629P39.2Very low35.1Very low131 Ų131138 Ų13885%0.85178%0.777SS**  trans-128.9-171.7133.336.5-25.8000113.2
630M36.5Very low35.1Very low184 Ų184133.2 Ų133.291%0.90677%0.77SS**  trans-103.4170.5-155.9-65.2163.864.300115.9
631R38.1Very low35.2Very low212 Ų212135.5 Ų135.580%0.877%0.77SS**  trans-62.3155.1169.5-75.8-177.1179.8171.8-2112.9
632P37.5Very low35.1Very low126 Ų126134.7 Ų134.782%0.81877%0.769SS**  -105.2-179.6118.4-19.135.1000114.8
633L33.8Very low35Very low126 Ų126139.4 Ų139.466%0.6678%0.78SS**  trans-130.1171.4-165-92.5160.8000112.9
634D39.4Very low35.1Very low137 Ų137135.1 Ų135.173%0.73377%0.772SS**  trans68.497.8153.8-54.5-26.4000122.3
635A40.3Very low35.3Very low95 Ų95140.3 Ų140.379%0.78578%0.777SS**  75.8155112.900000121.7
636P39.5Very low35.2Very low111 Ų111137.9 Ų137.972%0.72177%0.766SS**  trans-123.4167.3-159.842.4-29.2000115.5
637N32.2Very low35.3Very low154 Ų154134.2 Ų134.282%0.82476%0.763SS**  -169.7166.6121.1-124.1-33.5000116.3
638S33.9Very low35.5Very low91 Ų91133.7 Ų133.764%0.63676%0.76SS**  trans63.395.8147.7-60.30000122
639S33.1Very low35.3Very low100 Ų100137.1 Ų137.170%0.69976%0.764SS**  76.8129.8115.475.30000123
640N29.9Very low35.1Very low139 Ų139140.4 Ų140.474%0.74377%0.766SS**  trans89.1127.1134.2-77.2-19000122.9
641Q35Very low35.1Very low168 Ų168137 Ų13779%0.78576%0.755SS**  trans77.193.4141.1-67.5178.428.600121
642S31.9Very low34.8Very low96 Ų96134.3 Ų134.367%0.67176%0.757SS**  108.8147.5105.978.80000120
643N32.3Very low35.1Very low161 Ų161134 Ų13486%0.86176%0.755SS**  trans57.7111.3154.8-66-21.9000120.5
644G33.8Very low35.2Very low64 Ų64135.4 Ų135.466%0.6676%0.763SS**  149.29910500000120.3
645Q37.2Very low34.8Very low183 Ų183136.5 Ų136.586%0.85577%0.767SS**  trans67.7158143.5-41.1-175.64.700116.9
646K35.2Very low34.8Very low164 Ų164138 Ų13871%0.71377%0.768SS**  cis-160.5133.62.1-148.2179.2176.1179.60112.8
647L34.9Very low34.4Very low153 Ų153140.3 Ų140.380%0.80178%0.775SS**  trans54166149.6-100.365.4000121.4
648P37.7Very low34.6Very low112 Ų112142.8 Ų142.873%0.72778%0.778SS**  cis-126.4170.5-18.836.4-20.1000114.5
649E29.3Very low34.5Very low172 Ų172143.5 Ų143.580%0.80478%0.783SS**  trans-138.1154.6179.1-179.3173.7-151.100110.2
650F35.8Very low34.8Very low201 Ų201148.1 Ų148.188%0.88279%0.794SS**  trans-135.595.4167.7-84.6-84.3000108
651V36Very low35.3Very low113 Ų113151.2 Ų151.269%0.68580%0.801SS**  81.6105.577.9171.50000113.7
652N31.5Very low35.3Very low155 Ų155148.6 Ų148.683%0.82980%0.798SS**PPolyproline II helixtrans-101151144.6-88.3-30.3000108
653P43.8Very low35.2Very low119 Ų119152.5 Ų152.577%0.77381%0.81SS**PPolyproline II helixtrans-100.6148.9172.636.1-31000113.8
654D36.8Very low35.1Very low156 Ų156148.5 Ų148.583%0.83480%0.799SS**PPolyproline II helixtrans-90.8169.5-166.8-65.6-75.3000117.4
655I31.6Very low35Very low160 Ų160151.8 Ų151.882%0.82180%0.801SS**PPolyproline II helixtrans-85.6122.9164.6-58.4168.3000109.7
656P39.1Very low34.9Very low125 Ų125149.7 Ų149.781%0.81279%0.792SS**PPolyproline II helixtrans-90.2124.6171.533.3-30.5000111.6
657N30.7Very low34.8Very low161 Ų161147.6 Ų147.686%0.86179%0.788SS**  trans-109.1130.9174.7-137-12.6000109.2
658K37.1Very low34.8Very low206 Ų206148.1 Ų148.190%0.89679%0.787SS**  trans-150.9139.8164.1-145.4175.1-177.3-175.70112.4
659S32.8Very low34.6Very low106 Ų106147.3 Ų147.374%0.74178%0.784SS**  trans-77.8152.2-175.1-44.20000112.8
660E38.7Very low35Very low197 Ų197144.5 Ų144.592%0.92178%0.783SS**  -163.4-173.5117.9-107.3161.7-155.100112.1
661K39.5Very low34.9Very low203 Ų203139.7 Ų139.788%0.88377%0.774SS**  trans-96.6163.7-153.8-94.7-175.9176.8179.70115.6
662P35.2Very low34.8Very low114 Ų114141.6 Ų141.674%0.7478%0.781SS**  trans-94.5168-16238.5-38.4000114.7
663I31.1Very low34.8Very low178 Ų178140.5 Ų140.591%0.91378%0.78SS**  trans-146.6161.3152.1-102.7151.5000108.4
664A29.8Very low34.4Very low76 Ų76140.1 Ų140.163%0.62878%0.78SS**  trans-98.1-179.4-16200000114.9
665N31.7Very low34.5Very low133 Ų133137.3 Ų137.371%0.71178%0.778SS**  trans72.9146.6164.7-60.322.7000115.3
666E34.8Very low35.2Very low139 Ų139135.5 Ų135.565%0.6578%0.777SS**  cis-160.4172.7-8.7-119.1172.2-131.200109.2
667N32.6Very low35.7Very low120 Ų120137 Ų13764%0.64278%0.778SS**  trans34.5140139.2-58.5-24.5000120.9
668E34.8Very low36.7Very low164 Ų164137.2 Ų137.277%0.76678%0.778SS**  cis-166.6147.813.3-132.6177167.600114.4
669S34.4Very low38.2Very low95 Ų95132.7 Ų132.766%0.66476%0.763SS**  trans71.6147.5141.587.10000122.8
670S36.4Very low40.4Very low114 Ų114131.8 Ų131.880%0.79775%0.75SS**  trans71.5127.2146.9-530000119.5
671S35.4Very low42.3Very low99 Ų99127.5 Ų127.569%0.69274%0.737SS**  cis-159.4138.9-2.358.60000114
672N32.1Very low44.2Very low154 Ų154124.3 Ų124.382%0.82473%0.725SS**  trans49.2117.2147-57-14.1000120.3
673T32.7Very low46.4Very low131 Ų131123.5 Ų123.580%0.80471%0.711SS**  -169.4143.7107.7-72.90000110.6
674S35.9Very low48.7Very low111 Ų111118.9 Ų118.978%0.77669%0.688SS**  trans44.896.7168.762.10000118.6
675A37.5Very low51.2Low97 Ų97120.6 Ų120.680%0.80268%0.681SS**  trans-89.4143.4165.300000111.8
676P47.6Very low53.6Low122 Ų122119.1 Ų119.179%0.79267%0.67SS**  trans-76.2152175.132-34.9000112.3N678P676-N678 PolarHBondContact O-N 3.17Å; P676-N678 VanDerWaalsContact O-N 3.09Å
677L48.3Very low55.9Low158 Ų158117.6 Ų117.683%0.82766%0.661SS**  trans-73.698.8177.6-67.1173.5000110.9I679L677-I679 HydrophobicContact CB-CG1 4.31Å; L677-I679 PolarHBondContact O-N 3.19Å; L677-I679 VanDerWaalsContact O-N 3.07Å
678N51.5Low58Low164 Ų164114.8 Ų114.888%0.87765%0.646SS**  trans-77.787172.2-168.617.3000110.2P676P676-N678 PolarHBondContact O-N 3.17Å; P676-N678 VanDerWaalsContact O-N 3.09Å
679I69.8Low60.3Low112 Ų112108.6 Ų108.657%0.57462%0.619SS**  trans-86.3108.6178.4-60.3171.5000108.4L677 V681 L684L677-I679 HydrophobicContact CB-CG1 4.31Å; L677-I679 PolarHBondContact O-N 3.19Å; L677-I679 VanDerWaalsContact O-N 3.07Å; I679-V681 PolarHBondContact O-N 2.72Å; I679-L684 HydrophobicContact CG2-CD2 4.32Å
680D78.5Confident62.5Low86 Ų86112.2 Ų112.246%0.4662%0.623SS.*  trans-68.2119.6170176.924.8000110.5H682 E683 L684D680-H682 VanDerWaalsContact C-N 3.27Å; D680-H682 PolarHBondContact O-N 3.33Å; D680-H682 PolarHBondContact OD1-N 3.08Å; D680-E683 HydrophobicContact CB-CB 4.02Å; D680-E683 PolarHBondContact O-N 3.04Å; D680-E683 WeakPolarHBondContact OD2-CB 3.36Å; D680-E683 PolarHBondContact OD2-N 3.29Å; D680-L684 WeakPolarHBondContact O-CB 3.4Å; D680-L684 PolarHBondContact O-N 2.94Å
681V79.3Confident64.7Low108 Ų108109.9 Ų109.966%0.65561%0.611SS**Hα-helixtrans-66.5-30.5177.7-175.10000111.1I679 F685I679-V681 PolarHBondContact O-N 2.72Å; V681-F685 VanDerWaalsContact O-CB 3.28Å; V681-F685 WeakPolarHBondContact O-CB 3.32Å; V681-F685 PolarHBondContact O-N 3.09Å
682H79.4Confident66.4Low135 Ų135108 Ų10863%0.62561%0.608SS**Hα-helixtrans-70.7-48.2175.2-100.470.6000111.9D680 L684 F685 Q686D680-H682 VanDerWaalsContact C-N 3.27Å; D680-H682 PolarHBondContact O-N 3.33Å; D680-H682 PolarHBondContact OD1-N 3.08Å; H682-L684 VanDerWaalsContact C-N 3.31Å; H682-L684 PolarHBondContact O-N 3.04Å; H682-F685 PolarHBondContact O-N 3.15Å; H682-Q686 WeakPolarHBondContact O-CG 3.39Å; H682-Q686 PolarHBondContact O-N 2.9Å
683E80.9Confident68.6Low97 Ų97106.7 Ų106.745%0.45360%0.599SS.*Hα-helixtrans-63.2-37.3175.4-153.3-146.9-176.400112D680 Q686 K687D680-E683 HydrophobicContact CB-CB 4.02Å; D680-E683 PolarHBondContact O-N 3.04Å; D680-E683 WeakPolarHBondContact OD2-CB 3.36Å; D680-E683 PolarHBondContact OD2-N 3.29Å; E683-Q686 PolarHBondContact O-N 3.31Å; E683-K687 WeakPolarHBondContact O-CB 3.29Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 PolarHBondContact O-N 3.39Å; E683-K687 WeakPolarHBondContact OE1-CE 3.19Å; E683-K687 IonicContact OE1-NZ 2.65Å; E683-K687 PolarHBondContact OE1-NZ 3.42Å; E683-K687 IonicContact OE2-NZ 3.07Å; E683-K687 PolarHBondContact OE2-NZ 3.21Å
684L80Confident70.2Confident82 Ų82102.6 Ų102.643%0.42957%0.574SS.*Hα-helixtrans-62.8-45.4172.6-17765.8000111.7I679 D680 H682 K687 L688I679-L684 HydrophobicContact CG2-CD2 4.32Å; D680-L684 WeakPolarHBondContact O-CB 3.4Å; D680-L684 PolarHBondContact O-N 2.94Å; H682-L684 VanDerWaalsContact C-N 3.31Å; H682-L684 PolarHBondContact O-N 3.04Å; L684-K687 PolarHBondContact O-N 3.05Å; L684-K687 VanDerWaalsContact O-N 3.17Å; L684-L688 HydrophobicContact CG-CD1 4.25Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 2.84Å
685F80.9Confident71.5Confident111 Ų111102.6 Ų102.649%0.48757%0.571SS.*Hα-helixtrans-60.3-46.9175.7179.8-103.3000111.4V681 H682 K687 L688 V689 V694V681-F685 VanDerWaalsContact O-CB 3.28Å; V681-F685 WeakPolarHBondContact O-CB 3.32Å; V681-F685 PolarHBondContact O-N 3.09Å; H682-F685 PolarHBondContact O-N 3.15Å; F685-K687 VanDerWaalsContact C-N 3.25Å; F685-K687 PolarHBondContact O-N 3.34Å; F685-L688 PolarHBondContact O-N 3.21Å; F685-L688 VanDerWaalsContact O-N 3.13Å; F685-V689 HydrophobicContact CD1-CG2 4.21Å; F685-V689 HydrophobicContact CE1-CG2 3.85Å; F685-V689 HydrophobicContact CE2-CG2 4.2Å; F685-V689 HydrophobicContact CZ-CG2 3.85Å; F685-V689 WeakPolarHBondContact O-CB 3.5Å; F685-V689 WeakPolarHBondContact O-CG2 3.19Å; F685-V689 PolarHBondContact O-N 2.66Å; F685-V694 HydrophobicContact CE2-CG1 4.24Å
686Q82.7Confident72.3Confident103 Ų103101.4 Ų101.448%0.48155%0.551SS.*Hα-helixtrans-60.2-33.7174.7-71.5-173.616.700112.9H682 E683 K690H682-Q686 WeakPolarHBondContact O-CG 3.39Å; H682-Q686 PolarHBondContact O-N 2.9Å; E683-Q686 PolarHBondContact O-N 3.31Å; Q686-K690 VanDerWaalsContact O-CB 3.31Å; Q686-K690 WeakPolarHBondContact O-CB 3.22Å; Q686-K690 VanDerWaalsContact O-CG 3.28Å; Q686-K690 WeakPolarHBondContact O-CG 3.19Å; Q686-K690 PolarHBondContact O-N 2.94Å
687K82.4Confident72.4Confident106 Ų106102.5 Ų102.546%0.46156%0.556SS.*Hα-helixtrans-71.5-37174.7-75.4166.6-179.8172.50112.3E683 L684 F685 A691E683-K687 WeakPolarHBondContact O-CB 3.29Å; E683-K687 VanDerWaalsContact O-CG 3.27Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 PolarHBondContact O-N 3.39Å; E683-K687 WeakPolarHBondContact OE1-CE 3.19Å; E683-K687 IonicContact OE1-NZ 2.65Å; E683-K687 PolarHBondContact OE1-NZ 3.42Å; E683-K687 IonicContact OE2-NZ 3.07Å; E683-K687 PolarHBondContact OE2-NZ 3.21Å; L684-K687 PolarHBondContact O-N 3.05Å; L684-K687 VanDerWaalsContact O-N 3.17Å; F685-K687 VanDerWaalsContact C-N 3.25Å; F685-K687 PolarHBondContact O-N 3.34Å; K687-A691 VanDerWaalsContact O-CB 3.22Å; K687-A691 WeakPolarHBondContact O-CB 3.27Å; K687-A691 PolarHBondContact O-N 3.26Å
688L78.2Confident72.2Confident61 Ų61101.9 Ų101.932%0.31955%0.549SS..Hα-helixtrans-70.4-38.4175.9-70169.3000112.7L684 F685 A691 G692 I693 V694L684-L688 HydrophobicContact CG-CD1 4.25Å; L684-L688 WeakPolarHBondContact O-CG 3.43Å; L684-L688 PolarHBondContact O-N 2.84Å; F685-L688 PolarHBondContact O-N 3.21Å; F685-L688 VanDerWaalsContact O-N 3.13Å; L688-A691 PolarHBondContact O-N 2.82Å; L688-G692 PolarHBondContact O-N 2.87Å; L688-I693 HydrophobicContact CD2-CB 4.33Å; L688-I693 HydrophobicContact CD2-CD1 4.05Å; L688-I693 HydrophobicContact CD2-CG2 4.29Å; L688-I693 PolarHBondContact O-N 2.79Å; L688-I693 VanDerWaalsContact O-N 3.09Å; L688-V694 HydrophobicContact CB-CG2 4.06Å; L688-V694 PolarHBondContact O-N 2.86Å
689V83.2Confident71.7Confident34 Ų34102.8 Ų102.821%0.20655%0.547CS..Hα-helixtrans-61.6-52.31701680000110F685 A691 G692 V694 N696F685-V689 HydrophobicContact CD1-CG2 4.21Å; F685-V689 HydrophobicContact CE1-CG2 3.85Å; F685-V689 HydrophobicContact CE2-CG2 4.2Å; F685-V689 HydrophobicContact CZ-CG2 3.85Å; F685-V689 WeakPolarHBondContact O-CB 3.5Å; F685-V689 WeakPolarHBondContact O-CG2 3.19Å; F685-V689 PolarHBondContact O-N 2.66Å; V689-A691 PolarHBondContact O-N 3.08Å; V689-A691 VanDerWaalsContact O-N 3.16Å; V689-G692 PolarHBondContact O-N 3.26Å; V689-V694 HydrophobicContact CG2-CB 4.22Å; V689-V694 HydrophobicContact CG2-CG1 4.32Å; V689-N696 WeakPolarHBondContact CG1-OD1 3.36Å; V689-N696 PolarHBondContact O-OD1 3.21Å
690K80.3Confident70.3Confident172 Ų172106.7 Ų106.775%0.74856%0.563SS**Hα-helixtrans-62.6-20.9175.3-76.7173.8177.6170.40114.6Q686Q686-K690 VanDerWaalsContact O-CB 3.31Å; Q686-K690 WeakPolarHBondContact O-CB 3.22Å; Q686-K690 VanDerWaalsContact O-CG 3.28Å; Q686-K690 WeakPolarHBondContact O-CG 3.19Å; Q686-K690 PolarHBondContact O-N 2.94Å
691A81.6Confident68.7Low64 Ų64112.1 Ų112.153%0.52958%0.583SS.*THydrogen-bonded Turntrans-87.9-3.5175.300000113.7K687 L688 V689 I693K687-A691 VanDerWaalsContact O-CB 3.22Å; K687-A691 WeakPolarHBondContact O-CB 3.27Å; K687-A691 PolarHBondContact O-N 3.26Å; L688-A691 PolarHBondContact O-N 2.82Å; V689-A691 PolarHBondContact O-N 3.08Å; V689-A691 VanDerWaalsContact O-N 3.16Å; A691-I693 HydrophobicContact CB-CD1 3.91Å; A691-I693 HydrophobicContact CB-CG1 4.01Å; A691-I693 PolarHBondContact O-N 2.8Å
692G72.6Confident67Low61 Ų61116.5 Ų116.563%0.62959%0.593SS**THydrogen-bonded Turntrans68.117.5-17700000114.4L688 V689L688-G692 PolarHBondContact O-N 2.87Å; V689-G692 PolarHBondContact O-N 3.26Å
693I76.5Confident65.8Low125 Ų125114.3 Ų114.364%0.64160%0.598SS**SBendtrans-85.5-29.4179.9-62.2173.1000110.7L688 A691L688-I693 HydrophobicContact CD2-CB 4.33Å; L688-I693 HydrophobicContact CD2-CD1 4.05Å; L688-I693 HydrophobicContact CD2-CG2 4.29Å; L688-I693 PolarHBondContact O-N 2.79Å; L688-I693 VanDerWaalsContact O-N 3.09Å; A691-I693 HydrophobicContact CB-CD1 3.91Å; A691-I693 HydrophobicContact CB-CG1 4.01Å; A691-I693 PolarHBondContact O-N 2.8Å
694V67.6Low64.7Low46 Ų46117.9 Ų117.928%0.27962%0.615SS.*SBendtrans-105.7130.3167.4177.20000107F685 L688 V689 N696F685-V694 HydrophobicContact CE2-CG1 4.24Å; L688-V694 HydrophobicContact CB-CG2 4.06Å; L688-V694 PolarHBondContact O-N 2.86Å; V689-V694 HydrophobicContact CG2-CB 4.22Å; V689-V694 HydrophobicContact CG2-CG1 4.32Å; V694-N696 PolarHBondContact O-N 3.07Å
695P63.8Low63.6Low110 Ų110117.7 Ų117.771%0.71462%0.619SS**  trans-64.7126.217726.5-33.6000110.4T697P695-T697 PolarHBondContact O-N 2.88Å
696N53.3Low62.6Low73 Ų73114.4 Ų114.439%0.3961%0.608SS.*  trans-65.7114.8175.3-67.323.1000109.3V689 V694 E698V689-N696 WeakPolarHBondContact CG1-OD1 3.36Å; V689-N696 PolarHBondContact O-OD1 3.21Å; V694-N696 PolarHBondContact O-N 3.07Å; N696-E698 HydrophobicContact CB-CB 4.43Å; N696-E698 HydrophobicContact CB-CG 4.11Å; N696-E698 PolarHBondContact ND2-OE1 3.17Å; N696-E698 PolarHBondContact O-N 3.3Å
697T49.9Very low61.5Low145 Ų145117.1 Ų117.189%0.8962%0.621SS**  trans-76.448.7168.645.50000111.5P695 H699P695-T697 PolarHBondContact O-N 2.88Å; T697-H699 VanDerWaalsContact C-N 3.34Å; T697-H699 PolarHBondContact O-N 3.43Å
698E44.9Very low60.6Low144 Ų144119.6 Ų119.667%0.67364%0.639SS**  trans-75.282.4175.9-84.5177.6-126.200110.7N696 E700N696-E698 HydrophobicContact CB-CB 4.43Å; N696-E698 HydrophobicContact CB-CG 4.11Å; N696-E698 PolarHBondContact ND2-OE1 3.17Å; N696-E698 PolarHBondContact O-N 3.3Å; E698-E700 PolarHBondContact O-N 3.16Å
699H40.5Very low59.9Low183 Ų183120.8 Ų120.885%0.84767%0.665SS**  trans34.760160.1-75.6-72000115.8T697 K701T697-H699 VanDerWaalsContact C-N 3.34Å; T697-H699 PolarHBondContact O-N 3.43Å; H699-K701 PolarHBondContact O-N 3.29Å
700E40.6Very low58.7Low194 Ų194121.5 Ų121.591%0.90767%0.672SS**  trans-54.7127.6158.1-68.7-160.7138.700107.9E698 K702E698-E700 PolarHBondContact O-N 3.16Å; E700-K702 PolarHBondContact O-N 3.27Å
701K44Very low57.4Low201 Ų201120 Ų12087%0.87466%0.663SS**  trans-58.5133.4-173.8-69.3177178.9175.90108.9H699 A703H699-K701 PolarHBondContact O-N 3.29Å; K701-A703 PolarHBondContact O-N 2.86Å
702K43.9Very low56.3Low199 Ų199119 Ų11987%0.86565%0.651SS**  trans-45.7110.2166-85.6-171167.9-1680108.7E700 E704E700-K702 PolarHBondContact O-N 3.27Å; K702-E704 PolarHBondContact O-N 2.73Å
703A53.2Low55.9Low90 Ų90125.1 Ų125.174%0.74466%0.655SS**  trans-71.9107.8160.500000105.8K701K701-A703 PolarHBondContact O-N 2.86Å
704E58.5Low55.5Low171 Ų171126.1 Ų126.180%0.79966%0.658SS**PPolyproline II helixtrans-63.6140.4171.5-68.7-177132.600109K702K702-E704 PolarHBondContact O-N 2.73Å
705P57.7Low55.2Low79 Ų79130.3 Ų130.351%0.51367%0.668SS.*PPolyproline II helixtrans-60.2140.2177.726.2-34.4000109.5E707 E723P705-E707 PolarHBondContact O-N 2.92Å; P705-E707 VanDerWaalsContact O-N 3.15Å; P705-E723 WeakPolarHBondContact CB-OE1 3.46Å
706P58.4Low55.2Low41 Ų41130.7 Ų130.727%0.26666%0.659SS.*PPolyproline II helixtrans-62.1121.6-179.125.8-33.4000109.7L708P706-L708 PolarHBondContact O-N 3.4Å
707E60.6Low55.8Low160 Ų160134.5 Ų134.575%0.74867%0.672SS**PPolyproline II helixtrans-48.3136.1176.3-67.3-172.3140.400110.5P705 G709 S710P705-E707 PolarHBondContact O-N 2.92Å; P705-E707 VanDerWaalsContact O-N 3.15Å; E707-G709 PolarHBondContact O-N 3.12Å; E707-S710 WeakPolarHBondContact O-CB 3.39Å; E707-S710 PolarHBondContact O-N 2.95Å; E707-S710 PolarHBondContact O-OG 3.36Å
708L62.5Low56.7Low159 Ų159133.3 Ų133.383%0.83266%0.66SS**G310 helixtrans-54.4-26.7-176.8-98.970.1000113.5P706 S710P706-L708 PolarHBondContact O-N 3.4Å; L708-S710 PolarHBondContact O-N 2.92Å
709G63.4Low57.6Low85 Ų85131.4 Ų131.488%0.87666%0.661SS**G310 helixtrans-67.6-16.8174.500000114.7E707E707-G709 PolarHBondContact O-N 3.12Å
710S58.8Low58.8Low49 Ų49125.3 Ų125.334%0.34363%0.634SS.*G310 helixtrans-10033.3-178.774.60000113.2E707 L708 S712 R715E707-S710 WeakPolarHBondContact O-CB 3.39Å; E707-S710 PolarHBondContact O-N 2.95Å; E707-S710 PolarHBondContact O-OG 3.36Å; L708-S710 PolarHBondContact O-N 2.92Å; S710-S712 PolarHBondContact O-N 3.01Å; S710-R715 PolarHBondContact O-NH1 3.23Å; S710-R715 VanDerWaalsContact O-NH1 3.09Å; S710-R715 PolarHBondContact OG-NH1 2.81Å
711Y52.3Low60.4Low142 Ų142117.9 Ų117.956%0.55761%0.61SS**  trans-58.2114.2-171.8-173.7-94.8000113.7W713Y711-W713 AromaticContact CE1-NE1 3.7Å; Y711-W713 VanDerWaalsContact OH-CE2 3.24Å; Y711-W713 WeakPolarHBondContact OH-CZ2 3.49Å
712S59.8Low61.8Low41 Ų41114 Ų11429%0.28760%0.602SS.*  trans-140.1137.1162.181.80000111.3S710 E714 R715S710-S712 PolarHBondContact O-N 3.01Å; S712-E714 PolarHBondContact O-N 3.3Å; S712-E714 VanDerWaalsContact O-N 3.09Å; S712-R715 PolarHBondContact O-N 2.93Å
713W63.8Low62.9Low190 Ų190108.1 Ų108.172%0.7258%0.578SS**THydrogen-bonded Turntrans-61.6-16.5179.8-75.197.9000113.9Y711Y711-W713 AromaticContact CE1-NE1 3.7Å; Y711-W713 VanDerWaalsContact OH-CE2 3.24Å; Y711-W713 WeakPolarHBondContact OH-CZ2 3.49Å
714E68.3Low63.9Low147 Ų147107 Ų10769%0.68756%0.559SS**THydrogen-bonded Turntrans-78.3-32.4-178.6-60.4-175.5139.400112.3S712 K717S712-E714 PolarHBondContact O-N 3.3Å; S712-E714 VanDerWaalsContact O-N 3.09Å; E714-K717 PolarHBondContact O-N 2.87Å
715R61.7Low64.7Low134 Ų134103.8 Ų103.851%0.50655%0.547SS..G310 helixtrans-67.7-42.3178-73172.5168.8-180-10.8112S710 S712 K717 N718S710-R715 PolarHBondContact O-NH1 3.23Å; S710-R715 VanDerWaalsContact O-NH1 3.09Å; S710-R715 PolarHBondContact OG-NH1 2.81Å; S712-R715 PolarHBondContact O-N 2.93Å; R715-K717 PolarHBondContact O-N 3.07Å; R715-N718 PolarHBondContact O-N 3.04Å
716F62.6Low65.7Low117 Ų117106.9 Ų106.951%0.51356%0.555SS.*G310 helixtrans-74.9-1179.7-72.7-75.2000115N718F716-N718 VanDerWaalsContact C-N 3.26Å
717K66.9Low66.3Low153 Ų153111 Ų11167%0.66557%0.574SS**G310 helixtrans-70-25.3170.6-74.7178.7179.4173.20112.8E714 R715 P719E714-K717 PolarHBondContact O-N 2.87Å; R715-K717 PolarHBondContact O-N 3.07Å; K717-P719 WeakPolarHBondContact O-CD 3.26Å
718N67.6Low67.2Low121 Ų121110.9 Ų110.965%0.64757%0.568SS**SBendtrans-91.7114.7176.8-67.2-9000108.3R715 F716 L720R715-N718 PolarHBondContact O-N 3.04Å; F716-N718 VanDerWaalsContact C-N 3.26Å; N718-L720 PolarHBondContact O-N 3.09Å
719P63.7Low67.9Low104 Ų104108.6 Ų108.668%0.67556%0.556SS**  trans-64.9120.3175.825.1-32.2000110K717 G721 I724K717-P719 WeakPolarHBondContact O-CD 3.26Å; P719-G721 PolarHBondContact O-N 3.13Å; P719-I724 HydrophobicContact CB-CD1 3.53Å
720L66.8Low68.9Low54 Ų54106.3 Ų106.328%0.28353%0.533SS..  trans-71.993.7172-74.191.4000108.7N718 V722 E723 I724N718-L720 PolarHBondContact O-N 3.09Å; L720-V722 PolarHBondContact O-N 3.11Å; L720-V722 VanDerWaalsContact O-N 3.14Å; L720-E723 HydrophobicContact CB-CB 4.16Å; L720-E723 HydrophobicContact CB-CG 3.87Å; L720-E723 WeakPolarHBondContact CB-OE2 3.26Å; L720-E723 HydrophobicContact CD2-CG 4.27Å; L720-E723 PolarHBondContact O-N 2.82Å; L720-I724 PolarHBondContact O-N 3.11Å; L720-I724 VanDerWaalsContact O-N 3.1Å
721G74.3Confident70.1Confident39 Ų39107.7 Ų107.740%0.40253%0.533SS..Hα-helixtrans-52-38.6-176.400000113.4P719 E723 I724 D725P719-G721 PolarHBondContact O-N 3.13Å; G721-E723 PolarHBondContact O-N 2.97Å; G721-I724 PolarHBondContact O-N 3.2Å; G721-D725 WeakPolarHBondContact O-CB 3.48Å; G721-D725 PolarHBondContact O-N 3.06Å
722V73.3Confident71.8Confident119 Ų119105.4 Ų105.472%0.72153%0.528SS*.Hα-helixtrans-62.2-43.9178.2-171.30000112.3L720 I724 E726L720-V722 PolarHBondContact O-N 3.11Å; L720-V722 VanDerWaalsContact O-N 3.14Å; V722-I724 VanDerWaalsContact C-N 3.34Å; V722-E726 VanDerWaalsContact O-CB 3.29Å; V722-E726 WeakPolarHBondContact O-CB 3.39Å; V722-E726 PolarHBondContact O-N 2.89Å
723E67.5Low73.1Confident75 Ų75103.6 Ų103.635%0.3552%0.515SS..Hα-helixtrans-69-35.4177.8-60.8-177.2150.300111.4P705 L720 G721 E726 L727P705-E723 WeakPolarHBondContact CB-OE1 3.46Å; L720-E723 HydrophobicContact CB-CB 4.16Å; L720-E723 HydrophobicContact CB-CG 3.87Å; L720-E723 WeakPolarHBondContact CB-OE2 3.26Å; L720-E723 HydrophobicContact CD2-CG 4.27Å; L720-E723 PolarHBondContact O-N 2.82Å; G721-E723 PolarHBondContact O-N 2.97Å; E723-E726 PolarHBondContact O-N 2.75Å; E723-L727 WeakPolarHBondContact O-CB 3.41Å; E723-L727 VanDerWaalsContact O-CG 3.26Å; E723-L727 WeakPolarHBondContact O-CG 3.24Å; E723-L727 PolarHBondContact O-N 3.44Å
724I72.8Confident74.1Confident66 Ų6698.1 Ų98.134%0.33852%0.518SS..Hα-helixtrans-67.7-48.4176.5-66.1169.4000109.9P719 L720 G721 V722 E726 L727 Y728P719-I724 HydrophobicContact CB-CD1 3.53Å; L720-I724 PolarHBondContact O-N 3.11Å; L720-I724 VanDerWaalsContact O-N 3.1Å; G721-I724 PolarHBondContact O-N 3.2Å; V722-I724 VanDerWaalsContact C-N 3.34Å; I724-E726 VanDerWaalsContact C-N 3.28Å; I724-E726 PolarHBondContact O-N 2.82Å; I724-L727 WeakPolarHBondContact O-CB 3.38Å; I724-L727 PolarHBondContact O-N 2.91Å; I724-L727 VanDerWaalsContact O-N 3.13Å; I724-Y728 HydrophobicContact CG2-CD2 3.87Å; I724-Y728 HydrophobicContact CG2-CE2 4.07Å; I724-Y728 VanDerWaalsContact O-CD2 3.28Å; I724-Y728 WeakPolarHBondContact O-CD2 3.24Å; I724-Y728 PolarHBondContact O-N 3.41Å
725D76.2Confident74.7Confident104 Ų10496.6 Ų96.656%0.55651%0.511SS*.Hα-helixtrans-60.9-38.8175.6-71.2-24.6000110.9G721 L727 Y728 N729G721-D725 WeakPolarHBondContact O-CB 3.48Å; G721-D725 PolarHBondContact O-N 3.06Å; D725-L727 PolarHBondContact O-N 3.08Å; D725-Y728 CarbonylContact O-C 3.47Å; D725-Y728 PolarHBondContact O-N 3.01Å; D725-N729 WeakPolarHBondContact O-CB 3.41Å; D725-N729 PolarHBondContact O-N 2.92Å; D725-N729 PolarHBondContact O-ND2 3.33Å; D725-N729 VanDerWaalsContact O-ND2 3.14Å
726E77.7Confident75.8Confident145 Ų14593.3 Ų93.368%0.67851%0.508SS*.Hα-helixtrans-64.9-34.9174.1-167.6162.2-143.200113.1V722 E723 I724V722-E726 VanDerWaalsContact O-CB 3.29Å; V722-E726 WeakPolarHBondContact O-CB 3.39Å; V722-E726 PolarHBondContact O-N 2.89Å; E723-E726 PolarHBondContact O-N 2.75Å; I724-E726 VanDerWaalsContact C-N 3.28Å; I724-E726 PolarHBondContact O-N 2.82Å
727L72.4Confident76.8Confident127 Ų12789.3 Ų89.367%0.66550%0.499SS*.Hα-helixtrans-71.9-27.3171.7-74.2167.3000113.9E723 I724 D725 R739E723-L727 WeakPolarHBondContact O-CB 3.41Å; E723-L727 VanDerWaalsContact O-CG 3.26Å; E723-L727 WeakPolarHBondContact O-CG 3.24Å; E723-L727 PolarHBondContact O-N 3.44Å; I724-L727 WeakPolarHBondContact O-CB 3.38Å; I724-L727 PolarHBondContact O-N 2.91Å; I724-L727 VanDerWaalsContact O-N 3.13Å; D725-L727 PolarHBondContact O-N 3.08Å; L727-R739 WeakPolarHBondContact O-CD 3.4Å
728Y78Confident77.7Confident158 Ų15886.7 Ų86.762%0.6249%0.492SS*.Hα-helixtrans-95.8-10.2177.9-78.8-77.8000114.1I724 D725 R739I724-Y728 HydrophobicContact CG2-CD2 3.87Å; I724-Y728 HydrophobicContact CG2-CE2 4.07Å; I724-Y728 VanDerWaalsContact O-CD2 3.28Å; I724-Y728 WeakPolarHBondContact O-CD2 3.24Å; I724-Y728 PolarHBondContact O-N 3.41Å; D725-Y728 CarbonylContact O-C 3.47Å; D725-Y728 PolarHBondContact O-N 3.01Å; Y728-R739 PolarHBondContact O-NE 3.3Å; Y728-R739 PolarHBondContact O-NH1 3.47Å
729N78.3Confident78.6Confident111 Ų11185.1 Ų85.159%0.59448%0.477SS*.  trans-63.3158.7175.6-89.7-35.4000113.1D725 R739D725-N729 WeakPolarHBondContact O-CB 3.41Å; D725-N729 PolarHBondContact O-N 2.92Å; D725-N729 PolarHBondContact O-ND2 3.33Å; D725-N729 VanDerWaalsContact O-ND2 3.14Å; N729-R739 WeakPolarHBondContact O-CD 3.47Å
730G83.7Confident79.7Confident37 Ų3781.5 Ų81.538%0.38145%0.451SS..SBendtrans88.3164.7177.600000115.5R739 F740G730-R739 PolarHBondContact O-NH1 3.36Å; G730-F740 CarbonylContact C-O 3.31Å; G730-F740 VanDerWaalsContact C-O 3.31Å; G730-F740 WeakPolarHBondContact CA-O 3.24Å
731H84.1Confident80.5Confident77 Ų7786.9 Ų86.936%0.35647%0.474SS..EExtended strand (participates in β ladder)trans-73.5127.3-178.9-175.6-106.8000111.5R739 F740 D743 F748H731-R739 WeakPolarHBondContact O-CA 3.46Å; H731-F740 PolarHBondContact N-O 2.83Å; H731-F740 PolarHBondContact O-N 3.14Å; H731-D743 HydrophobicContact CB-CB 4.46Å; H731-F748 AromaticContact CE1-CE1 3.66Å; H731-F748 AromaticContact CE1-CZ 3.38Å; H731-F748 WeakPolarHBondContact CE1-CZ 3.33Å; H731-F748 AromaticContact ND1-CE1 3.68Å; H731-F748 AromaticContact ND1-CE2 3.75Å; H731-F748 AromaticContact ND1-CZ 3.49Å; H731-F748 WeakPolarHBondContact ND1-CZ 3.46Å
732Q88Confident81Confident94 Ų9487.1 Ų87.144%0.43947%0.47SS..EExtended strand (participates in β ladder)trans-96.6126.8-175.8-165.6177.222.300112.3G734 G737 L738 R739Q732-G734 PolarHBondContact O-N 3.44Å; Q732-G737 WeakPolarHBondContact CG-O 3.28Å; Q732-G737 PolarHBondContact NE2-O 2.99Å; Q732-L738 CarbonylContact C-O 3.56Å; Q732-L738 WeakPolarHBondContact CA-O 3.37Å; Q732-R739 HydrophobicContact CB-CG 4.31Å; Q732-R739 HydrophobicContact CG-CG 4.22Å
733C87.8Confident81.6Confident3 Ų386 Ų862%0.0246%0.459CS..PPolyproline II helixtrans-64.8120.4172.8179.90000111.5Q735 G737 L738 F740 F748 H751C733-Q735 PolarHBondContact O-N 3.35Å; C733-Q735 VanDerWaalsContact O-N 3.11Å; C733-Q735 PolarHBondContact SG-N 3.18Å; C733-Q735 VanDerWaalsContact SG-N 3.43Å; C733-G737 WeakPolarHBondContact O-CA 3.44Å; C733-G737 PolarHBondContact O-N 3.46Å; C733-L738 PolarHBondContact N-O 3.11Å; C733-F740 HydrophobicContact CB-CE2 4.25Å; C733-F748 HydrophobicContact CB-CE2 3.95Å; C733-H751 WeakPolarHBondContact CB-NE2 3.28Å; C733-H751 PolarHBondContact SG-NE2 3.18Å
734G84.8Confident82.4Confident76 Ų7689.8 Ų89.878%0.78448%0.481SS*.THydrogen-bonded Turntrans-69.9-0.2179.300000116.2Q732Q732-G734 PolarHBondContact O-N 3.44Å
735Q80.9Confident82.9Confident115 Ų11587.2 Ų87.254%0.53747%0.469SS..THydrogen-bonded Turntrans-113.4-20.1-179.1-69.8176.5-34.600114.3C733 H755C733-Q735 PolarHBondContact O-N 3.35Å; C733-Q735 VanDerWaalsContact O-N 3.11Å; C733-Q735 PolarHBondContact SG-N 3.18Å; C733-Q735 VanDerWaalsContact SG-N 3.43Å; Q735-H755 VanDerWaalsContact CB-CE1 3.44Å; Q735-H755 WeakPolarHBondContact CB-CE1 3.28Å; Q735-H755 VanDerWaalsContact OE1-CG 3.23Å
736C84.2Confident83.5Confident65 Ų6586.5 Ų86.544%0.43947%0.471SS..THydrogen-bonded Turntrans-136.9-13.717669.60000115.3L738 H751 H755C736-L738 PolarHBondContact SG-N 3.1Å; C736-H751 PolarHBondContact SG-CE1 2.87Å; C736-H751 PolarHBondContact SG-NE2 3.47Å; C736-H755 WeakPolarHBondContact CB-NE2 3.48Å
737G83.7Confident83.8Confident32 Ų3284.6 Ų84.633%0.3346%0.462SS..  trans85.8-3-179.800000116.5Q732 C733Q732-G737 WeakPolarHBondContact CG-O 3.28Å; Q732-G737 PolarHBondContact NE2-O 2.99Å; C733-G737 WeakPolarHBondContact O-CA 3.44Å; C733-G737 PolarHBondContact O-N 3.46Å
738L85.1Confident84.6Confident98 Ų9879.4 Ų79.451%0.51343%0.434SS..  trans-59.4146.2172.2-73.2173.3000111.7Q732 C733 C736 F740Q732-L738 CarbonylContact C-O 3.56Å; Q732-L738 WeakPolarHBondContact CA-O 3.37Å; C733-L738 PolarHBondContact N-O 3.11Å; C736-L738 PolarHBondContact SG-N 3.1Å; L738-F740 HydrophobicContact CB-CE2 3.67Å; L738-F740 HydrophobicContact CB-CZ 4.03Å; L738-F740 HydrophobicContact CD1-CZ 4.41Å
739R86.9Confident85.1Confident89 Ų8974.2 Ų74.234%0.33642%0.423SS..EExtended strand (participates in β ladder)trans-108.3141.9178.6-66.3-178.2178.3-75.4-10.4111.1L727 Y728 N729 G730 H731 Q732L727-R739 WeakPolarHBondContact O-CD 3.4Å; Y728-R739 PolarHBondContact O-NE 3.3Å; Y728-R739 PolarHBondContact O-NH1 3.47Å; N729-R739 WeakPolarHBondContact O-CD 3.47Å; G730-R739 PolarHBondContact O-NH1 3.36Å; H731-R739 WeakPolarHBondContact O-CA 3.46Å; Q732-R739 HydrophobicContact CB-CG 4.31Å; Q732-R739 HydrophobicContact CG-CG 4.22Å
740F87.8Confident85.5Confident28 Ų2876 Ų7612%0.12343%0.426CS..EExtended strand (participates in β ladder)trans-131.7154.5-178.1-61.6-92.9000109.3G730 H731 C733 L738 S742 E747 F748 H751G730-F740 CarbonylContact C-O 3.31Å; G730-F740 VanDerWaalsContact C-O 3.31Å; G730-F740 WeakPolarHBondContact CA-O 3.24Å; H731-F740 PolarHBondContact N-O 2.83Å; H731-F740 PolarHBondContact O-N 3.14Å; C733-F740 HydrophobicContact CB-CE2 4.25Å; L738-F740 HydrophobicContact CB-CE2 3.67Å; L738-F740 HydrophobicContact CB-CZ 4.03Å; L738-F740 HydrophobicContact CD1-CZ 4.41Å; F740-S742 PolarHBondContact O-N 3.18Å; F740-E747 HydrophobicContact CD1-CB 3.78Å; F740-E747 HydrophobicContact CE1-CB 4.11Å; F740-F748 HydrophobicContact CB-CB 4.01Å; F740-F748 HydrophobicContact CB-CD2 4.47Å; F740-F748 HydrophobicContact CD1-CB 4.07Å; F740-F748 HydrophobicContact CD2-CB 4.31Å; F740-F748 AromaticContact CD2-CD2 3.51Å; F740-F748 HydrophobicContact CD2-CD2 3.51Å; F740-F748 HydrophobicContact CD2-CE2 4.33Å; F740-F748 HydrophobicContact CD2-CG 4.34Å; F740-F748 AromaticContact CE2-CD2 3.87Å; F740-F748 HydrophobicContact CE2-CD2 3.87Å; F740-F748 HydrophobicContact CG-CB 3.85Å; F740-F748 AromaticContact CG-CD2 3.96Å; F740-F748 HydrophobicContact CG-CD2 3.96Å; F740-F748 HydrophobicContact CG-CG 4.35Å; F740-H751 HydrophobicContact CE1-CB 3.89Å; F740-H751 HydrophobicContact CE2-CB 4.32Å; F740-H751 AromaticContact CE2-CD2 3.49Å; F740-H751 VanDerWaalsContact CE2-CD2 3.49Å; F740-H751 WeakPolarHBondContact CE2-CD2 3.4Å; F740-H751 AromaticContact CE2-CG 3.87Å; F740-H751 HydrophobicContact CZ-CB 3.52Å; F740-H751 AromaticContact CZ-CD2 3.47Å; F740-H751 VanDerWaalsContact CZ-CD2 3.47Å; F740-H751 WeakPolarHBondContact CZ-CD2 3.46Å; F740-H751 AromaticContact CZ-CG 3.31Å; F740-H751 AromaticContact CZ-ND1 3.95Å
741Q82.9Confident85.7Confident167 Ų16775.1 Ų75.178%0.7841%0.412SS*.SBendtrans-57.2-38.3-175.8-60.4-176.922.900112.5
742S84.2Confident85.8Confident43 Ų4374.9 Ų74.930%0.30141%0.413SS..  trans-152.4164.8171.862.90000111.9F740 L744 S745F740-S742 PolarHBondContact O-N 3.18Å; S742-L744 PolarHBondContact O-N 2.99Å; S742-L744 PolarHBondContact OG-N 3.29Å; S742-S745 WeakPolarHBondContact O-CB 3.38Å; S742-S745 PolarHBondContact O-N 3.38Å; S742-S745 PolarHBondContact O-OG 2.84Å; S742-S745 PolarHBondContact OG-N 3.44Å
743D85.8Confident85.8Confident95 Ų9575 Ų7551%0.50842%0.416SS..THydrogen-bonded Turntrans-63.1-24165.460-29.2000113.1H731 S745 F748H731-D743 HydrophobicContact CB-CB 4.46Å; D743-S745 VanDerWaalsContact C-N 3.34Å; D743-F748 HydrophobicContact CB-CD1 4.47Å; D743-F748 HydrophobicContact CB-CE1 4.41Å; D743-F748 WeakPolarHBondContact O-CD1 3.34Å
744L85.1Confident85.5Confident155 Ų15579.9 Ų79.981%0.81244%0.435SS*.THydrogen-bonded Turntrans-86.11.3173.8-63.3173.2000113.9S742S742-L744 PolarHBondContact O-N 2.99Å; S742-L744 PolarHBondContact OG-N 3.29Å
745S84.2Confident85.5Confident12 Ų1277 Ų778%0.08440%0.401CS..  trans-74.3140.6-177.3670000112.3S742 D743 E747 F748 A749S742-S745 WeakPolarHBondContact O-CB 3.38Å; S742-S745 PolarHBondContact O-N 3.38Å; S742-S745 PolarHBondContact O-OG 2.84Å; S742-S745 PolarHBondContact OG-N 3.44Å; D743-S745 VanDerWaalsContact C-N 3.34Å; S745-E747 PolarHBondContact O-N 3.04Å; S745-F748 PolarHBondContact O-N 3.29Å; S745-F748 VanDerWaalsContact O-N 3.09Å; S745-F748 VanDerWaalsContact OG-CB 3.25Å; S745-F748 WeakPolarHBondContact OG-CB 3.2Å; S745-F748 PolarHBondContact OG-N 2.72Å; S745-A749 PolarHBondContact O-N 3.05Å; S745-A749 VanDerWaalsContact O-N 3.09Å
746P87.8Confident85.3Confident90 Ų9079.5 Ų79.558%0.58441%0.407SS*.Hα-helixtrans-66.6-20.5177.828.6-35.6000112.7K750P746-K750 VanDerWaalsContact O-CG 3.28Å; P746-K750 WeakPolarHBondContact O-CG 3.41Å; P746-K750 PolarHBondContact O-N 2.94Å; P746-K750 VanDerWaalsContact O-N 3.16Å
747E85.1Confident84.9Confident104 Ų10481.2 Ų81.249%0.48641%0.409SS..Hα-helixtrans-67.9-45.9170.6-66.9161.1-162.700111.2F740 S745 H751F740-E747 HydrophobicContact CD1-CB 3.78Å; F740-E747 HydrophobicContact CE1-CB 4.11Å; S745-E747 PolarHBondContact O-N 3.04Å; E747-H751 VanDerWaalsContact O-CB 3.23Å; E747-H751 WeakPolarHBondContact O-CB 3.37Å; E747-H751 PolarHBondContact O-N 3Å
748F89.1Confident84.3Confident19 Ų1982.6 Ų82.68%0.08341%0.406CS..Hα-helixtrans-65.8-38.4176.3-176-115.7000111.9H731 C733 F740 D743 S745 H751 L752H731-F748 AromaticContact CE1-CE1 3.66Å; H731-F748 AromaticContact CE1-CZ 3.38Å; H731-F748 WeakPolarHBondContact CE1-CZ 3.33Å; H731-F748 AromaticContact ND1-CE1 3.68Å; H731-F748 AromaticContact ND1-CE2 3.75Å; H731-F748 AromaticContact ND1-CZ 3.49Å; H731-F748 WeakPolarHBondContact ND1-CZ 3.46Å; C733-F748 HydrophobicContact CB-CE2 3.95Å; F740-F748 HydrophobicContact CB-CB 4.01Å; F740-F748 HydrophobicContact CB-CD2 4.47Å; F740-F748 HydrophobicContact CD1-CB 4.07Å; F740-F748 HydrophobicContact CD2-CB 4.31Å; F740-F748 AromaticContact CD2-CD2 3.51Å; F740-F748 HydrophobicContact CD2-CD2 3.51Å; F740-F748 HydrophobicContact CD2-CE2 4.33Å; F740-F748 HydrophobicContact CD2-CG 4.34Å; F740-F748 AromaticContact CE2-CD2 3.87Å; F740-F748 HydrophobicContact CE2-CD2 3.87Å; F740-F748 HydrophobicContact CG-CB 3.85Å; F740-F748 AromaticContact CG-CD2 3.96Å; F740-F748 HydrophobicContact CG-CD2 3.96Å; F740-F748 HydrophobicContact CG-CG 4.35Å; D743-F748 HydrophobicContact CB-CD1 4.47Å; D743-F748 HydrophobicContact CB-CE1 4.41Å; D743-F748 WeakPolarHBondContact O-CD1 3.34Å; S745-F748 PolarHBondContact O-N 3.29Å; S745-F748 VanDerWaalsContact O-N 3.09Å; S745-F748 VanDerWaalsContact OG-CB 3.25Å; S745-F748 WeakPolarHBondContact OG-CB 3.2Å; S745-F748 PolarHBondContact OG-N 2.72Å; F748-H751 WeakPolarHBondContact O-CB 3.27Å; F748-H751 PolarHBondContact O-N 3.29Å; F748-L752 HydrophobicContact CD1-CD1 4.07Å; F748-L752 HydrophobicContact CD1-CG 4.42Å; F748-L752 HydrophobicContact CE1-CD1 3.6Å; F748-L752 HydrophobicContact CE1-CD2 4.44Å; F748-L752 HydrophobicContact CE1-CG 4.07Å; F748-L752 HydrophobicContact CE2-CD2 4.14Å; F748-L752 HydrophobicContact CE2-CG 4.23Å; F748-L752 HydrophobicContact CZ-CD1 3.9Å; F748-L752 HydrophobicContact CZ-CD2 3.87Å; F748-L752 HydrophobicContact CZ-CG 3.95Å; F748-L752 WeakPolarHBondContact O-CG 3.01Å; F748-L752 PolarHBondContact O-N 3.32Å
749A86.9Confident83.7Confident48 Ų4881.9 Ų81.940%0.39740%0.403SS..Hα-helixtrans-58.3-56.4173.700000111.8S745 H751 L752 D753S745-A749 PolarHBondContact O-N 3.05Å; S745-A749 VanDerWaalsContact O-N 3.09Å; A749-H751 PolarHBondContact O-N 2.92Å; A749-H751 VanDerWaalsContact O-N 3.14Å; A749-L752 WeakPolarHBondContact O-CB 3.42Å; A749-L752 PolarHBondContact O-N 3.29Å; A749-D753 PolarHBondContact O-N 3.02Å
750K87.2Confident82.7Confident149 Ų14980.2 Ų80.265%0.64841%0.405SS*.Hα-helixtrans-55.4-33.5175.2-71.7170-179.7178.20112.8P746 D753 Y754P746-K750 VanDerWaalsContact O-CG 3.28Å; P746-K750 WeakPolarHBondContact O-CG 3.41Å; P746-K750 PolarHBondContact O-N 2.94Å; P746-K750 VanDerWaalsContact O-N 3.16Å; K750-D753 PolarHBondContact O-N 3.15Å; K750-Y754 PolarHBondContact O-N 3.2Å
751H89.2Confident81.3Confident18 Ų1881.1 Ų81.18%0.08342%0.415CS..Hα-helixtrans-72.9-36.4177.8175.464.3000113.2C733 C736 F740 E747 F748 A749 H755C733-H751 WeakPolarHBondContact CB-NE2 3.28Å; C733-H751 PolarHBondContact SG-NE2 3.18Å; C736-H751 PolarHBondContact SG-CE1 2.87Å; C736-H751 PolarHBondContact SG-NE2 3.47Å; F740-H751 HydrophobicContact CE1-CB 3.89Å; F740-H751 HydrophobicContact CE2-CB 4.32Å; F740-H751 AromaticContact CE2-CD2 3.49Å; F740-H751 VanDerWaalsContact CE2-CD2 3.49Å; F740-H751 WeakPolarHBondContact CE2-CD2 3.4Å; F740-H751 AromaticContact CE2-CG 3.87Å; F740-H751 HydrophobicContact CZ-CB 3.52Å; F740-H751 AromaticContact CZ-CD2 3.47Å; F740-H751 VanDerWaalsContact CZ-CD2 3.47Å; F740-H751 WeakPolarHBondContact CZ-CD2 3.46Å; F740-H751 AromaticContact CZ-CG 3.31Å; F740-H751 AromaticContact CZ-ND1 3.95Å; E747-H751 VanDerWaalsContact O-CB 3.23Å; E747-H751 WeakPolarHBondContact O-CB 3.37Å; E747-H751 PolarHBondContact O-N 3Å; F748-H751 WeakPolarHBondContact O-CB 3.27Å; F748-H751 PolarHBondContact O-N 3.29Å; A749-H751 PolarHBondContact O-N 2.92Å; A749-H751 VanDerWaalsContact O-N 3.14Å; H751-H755 AromaticContact CE1-CD2 3.44Å; H751-H755 PolarHBondContact CE1-CD2 3.13Å; H751-H755 VanDerWaalsContact CE1-CD2 3.44Å; H751-H755 AromaticContact CE1-NE2 3.42Å; H751-H755 PolarHBondContact CE1-NE2 3.34Å; H751-H755 AromaticContact NE2-CD2 3.33Å; H751-H755 PolarHBondContact NE2-CD2 2.94Å; H751-H755 VanDerWaalsContact NE2-CD2 3.33Å; H751-H755 AromaticContact NE2-NE2 3.4Å; H751-H755 PolarHBondContact NE2-NE2 2.86Å; H751-H755 PolarHBondContact O-N 3.39Å; H751-H755 VanDerWaalsContact O-N 3.12Å
752L86Confident80Confident72 Ų7278.3 Ų78.338%0.37740%0.398SS..Hα-helixtrans-65.9-38.4169.4-69.5179.2000111.4F748 A749 H755 Y756F748-L752 HydrophobicContact CD1-CD1 4.07Å; F748-L752 HydrophobicContact CD1-CG 4.42Å; F748-L752 HydrophobicContact CE1-CD1 3.6Å; F748-L752 HydrophobicContact CE1-CD2 4.44Å; F748-L752 HydrophobicContact CE1-CG 4.07Å; F748-L752 HydrophobicContact CE2-CD2 4.14Å; F748-L752 HydrophobicContact CE2-CG 4.23Å; F748-L752 HydrophobicContact CZ-CD1 3.9Å; F748-L752 HydrophobicContact CZ-CD2 3.87Å; F748-L752 HydrophobicContact CZ-CG 3.95Å; F748-L752 WeakPolarHBondContact O-CG 3.01Å; F748-L752 PolarHBondContact O-N 3.32Å; A749-L752 WeakPolarHBondContact O-CB 3.42Å; A749-L752 PolarHBondContact O-N 3.29Å; L752-H755 CarbonylContact O-C 3.45Å; L752-H755 WeakPolarHBondContact O-CB 3.31Å; L752-H755 PolarHBondContact O-N 2.74Å; L752-H755 VanDerWaalsContact O-N 3.15Å; L752-Y756 PolarHBondContact O-N 3.26Å
753D86.6Confident78.6Confident96 Ų9679.4 Ų79.451%0.51342%0.416SS..Hα-helixtrans-62-45.2174.8-63.4-35.6000111.5A749 K750 H755 Y756 M757A749-D753 PolarHBondContact O-N 3.02Å; K750-D753 PolarHBondContact O-N 3.15Å; D753-H755 VanDerWaalsContact C-N 3.28Å; D753-H755 PolarHBondContact O-N 3.46Å; D753-Y756 WeakPolarHBondContact O-CB 3.3Å; D753-Y756 PolarHBondContact O-N 2.96Å; D753-M757 WeakPolarHBondContact O-CG 3.43Å; D753-M757 PolarHBondContact O-N 2.89Å
754Y82.3Confident77.1Confident106 Ų10683.2 Ų83.242%0.41643%0.431SS..Hα-helixtrans-55.2-43171.4158.6-105000112.2K750 K758K750-Y754 PolarHBondContact O-N 3.2Å; Y754-K758 HydrophobicContact CE1-CD 4.48Å; Y754-K758 HydrophobicContact CE2-CD 4.16Å; Y754-K758 VanDerWaalsContact O-CB 3.26Å; Y754-K758 WeakPolarHBondContact O-CB 3.46Å; Y754-K758 PolarHBondContact O-N 3.05Å; Y754-K758 PolarHBondContact OH-NZ 2.9Å
755H84.6Confident75.1Confident16 Ų1680.5 Ų80.57%0.07441%0.414CS..Hα-helixtrans-65.8-37.3174.3-91.2-65.6000112.8Q735 C736 H751 L752 D753 N759Q735-H755 VanDerWaalsContact CB-CE1 3.44Å; Q735-H755 WeakPolarHBondContact CB-CE1 3.28Å; Q735-H755 VanDerWaalsContact OE1-CG 3.23Å; C736-H755 WeakPolarHBondContact CB-NE2 3.48Å; H751-H755 AromaticContact CE1-CD2 3.44Å; H751-H755 PolarHBondContact CE1-CD2 3.13Å; H751-H755 VanDerWaalsContact CE1-CD2 3.44Å; H751-H755 AromaticContact CE1-NE2 3.42Å; H751-H755 PolarHBondContact CE1-NE2 3.34Å; H751-H755 AromaticContact NE2-CD2 3.33Å; H751-H755 PolarHBondContact NE2-CD2 2.94Å; H751-H755 VanDerWaalsContact NE2-CD2 3.33Å; H751-H755 AromaticContact NE2-NE2 3.4Å; H751-H755 PolarHBondContact NE2-NE2 2.86Å; H751-H755 PolarHBondContact O-N 3.39Å; H751-H755 VanDerWaalsContact O-N 3.12Å; L752-H755 CarbonylContact O-C 3.45Å; L752-H755 WeakPolarHBondContact O-CB 3.31Å; L752-H755 PolarHBondContact O-N 2.74Å; L752-H755 VanDerWaalsContact O-N 3.15Å; D753-H755 VanDerWaalsContact C-N 3.28Å; D753-H755 PolarHBondContact O-N 3.46Å; H755-N759 VanDerWaalsContact O-CB 3.28Å; H755-N759 WeakPolarHBondContact O-CB 3.44Å; H755-N759 PolarHBondContact O-N 2.97Å; H755-N759 PolarHBondContact O-ND2 3.01Å
756Y76.1Confident73.4Confident168 Ų16891.5 Ų91.566%0.65945%0.454SS*.Hα-helixtrans-65-45.5175.5-176.3-92.9000111.8L752 D753 N759 S760L752-Y756 PolarHBondContact O-N 3.26Å; D753-Y756 WeakPolarHBondContact O-CB 3.3Å; D753-Y756 PolarHBondContact O-N 2.96Å; Y756-N759 PolarHBondContact O-N 3.07Å; Y756-S760 WeakPolarHBondContact O-CB 3.5Å; Y756-S760 PolarHBondContact O-N 2.83Å; Y756-S760 PolarHBondContact O-OG 3.38Å
757M75.6Confident71.5Confident100 Ų10094 Ų9449%0.49345%0.451SS..Hα-helixtrans-59.9-49.2175.3-67.3178.877.300111.1D753 N759 S760 S761 F791D753-M757 WeakPolarHBondContact O-CG 3.43Å; D753-M757 PolarHBondContact O-N 2.89Å; M757-N759 PolarHBondContact O-N 2.8Å; M757-S760 WeakPolarHBondContact O-CB 3.49Å; M757-S760 PolarHBondContact O-N 3.19Å; M757-S760 VanDerWaalsContact O-N 3.13Å; M757-S761 PolarHBondContact O-N 2.88Å; M757-F791 HydrophobicContact CE-CE1 4.22Å; M757-F791 HydrophobicContact CE-CE2 3.84Å; M757-F791 HydrophobicContact CE-CZ 3.47Å; M757-F791 VanDerWaalsContact CE-CZ 3.47Å; M757-F791 HydrophobicContact SD-CZ 4.41Å
758K73Confident69.9Low61 Ų6194.6 Ų94.627%0.26547%0.467SS..Hα-helixtrans-65-34.3179.9-171171.3-168168.70113.5Y754 S761 Y762Y754-K758 HydrophobicContact CE1-CD 4.48Å; Y754-K758 HydrophobicContact CE2-CD 4.16Å; Y754-K758 VanDerWaalsContact O-CB 3.26Å; Y754-K758 WeakPolarHBondContact O-CB 3.46Å; Y754-K758 PolarHBondContact O-N 3.05Å; Y754-K758 PolarHBondContact OH-NZ 2.9Å; K758-S761 PolarHBondContact O-OG 3.01Å; K758-S761 VanDerWaalsContact O-OG 3.12Å; K758-Y762 HydrophobicContact CG-CE2 4.05Å; K758-Y762 WeakPolarHBondContact O-CD2 3.37Å
759N72.5Confident67.7Low83 Ų83101 Ų10144%0.44449%0.491SS..Hα-helixtrans-75.1-29.9174.1-70.6-33.1000112H755 Y756 M757H755-N759 VanDerWaalsContact O-CB 3.28Å; H755-N759 WeakPolarHBondContact O-CB 3.44Å; H755-N759 PolarHBondContact O-N 2.97Å; H755-N759 PolarHBondContact O-ND2 3.01Å; Y756-N759 PolarHBondContact O-N 3.07Å; M757-N759 PolarHBondContact O-N 2.8Å
760S65.1Low65.9Low55 Ų55105.3 Ų105.339%0.38551%0.507SS..Hα-helixtrans-71.8-40.2176.1-61.60000112.5Y756 M757 Y762 G763Y756-S760 WeakPolarHBondContact O-CB 3.5Å; Y756-S760 PolarHBondContact O-N 2.83Å; Y756-S760 PolarHBondContact O-OG 3.38Å; M757-S760 WeakPolarHBondContact O-CB 3.49Å; M757-S760 PolarHBondContact O-N 3.19Å; M757-S760 VanDerWaalsContact O-N 3.13Å; S760-Y762 PolarHBondContact O-N 2.77Å; S760-G763 WeakPolarHBondContact O-CA 3.26Å; S760-G763 PolarHBondContact O-N 3.21Å
761S59.2Low64.5Low46 Ų46106 Ų10632%0.32251%0.511SS..Hα-helixtrans-64.1-38.7178.2650000112.7M757 K758 G763 Q764 E765M757-S761 PolarHBondContact O-N 2.88Å; K758-S761 PolarHBondContact O-OG 3.01Å; K758-S761 VanDerWaalsContact O-OG 3.12Å; S761-G763 PolarHBondContact O-N 2.95Å; S761-Q764 PolarHBondContact O-N 3.33Å; S761-E765 PolarHBondContact O-N 3.41Å; S761-E765 VanDerWaalsContact O-N 3.14Å
762Y55.5Low62.8Low109 Ų109113.9 Ų113.943%0.42754%0.541SS..THydrogen-bonded Turntrans-61-12.2170.5-67.7-40.6000114.2K758 S760 E765K758-Y762 HydrophobicContact CG-CE2 4.05Å; K758-Y762 WeakPolarHBondContact O-CD2 3.37Å; S760-Y762 PolarHBondContact O-N 2.77Å; Y762-E765 WeakPolarHBondContact CD1-OE2 3.39Å
763G53.7Low61.2Low66 Ų66115.4 Ų115.468%0.6855%0.546SS*.THydrogen-bonded Turntrans-83.4-20.5171.100000114.5S760 S761S760-G763 WeakPolarHBondContact O-CA 3.26Å; S760-G763 PolarHBondContact O-N 3.21Å; S761-G763 PolarHBondContact O-N 2.95Å
764Q54.4Low60Low174 Ų174114.2 Ų114.281%0.81354%0.543SS*.THydrogen-bonded Turntrans-104.8-21-178.9-69.3-172.7-46.500113.6S761 R766S761-Q764 PolarHBondContact O-N 3.33Å; Q764-R766 PolarHBondContact O-N 3.15Å
765E44.2Very low59.2Low98 Ų98115.4 Ų115.446%0.45856%0.556SS.*  trans-67.272.3174.3-72.2175.2-171.700112.6S761 Y762S761-E765 PolarHBondContact O-N 3.41Å; S761-E765 VanDerWaalsContact O-N 3.14Å; Y762-E765 WeakPolarHBondContact CD1-OE2 3.39Å
766R47.1Very low58.1Low244 Ų244121.4 Ų121.492%0.92158%0.584SS**  trans-82.7-20.7160.2-87.3-170.9167.6-139-2.6113Q764Q764-R766 PolarHBondContact O-N 3.15Å
767R48Very low57.2Low141 Ų141119.9 Ų119.953%0.53258%0.578SS.*SBendtrans-78.5161.9169.2-72.5-178.5164.8-161.1-11.4110.3R769 E802R767-R769 PolarHBondContact O-N 2.65Å; R767-E802 IonicContact CZ-OE1 2.79Å; R767-E802 IonicContact CZ-OE2 3.36Å; R767-E802 IonicContact NH1-OE1 3.72Å; R767-E802 PolarHBondContact NH1-OE1 2.91Å; R767-E802 IonicContact NH1-OE2 3.4Å; R767-E802 PolarHBondContact NH1-OE2 2.77Å; R767-E802 IonicContact NH2-OE1 3.47Å; R767-E802 IonicContact NH2-OE2 2.85Å
768S52.7Low56.4Low117 Ų117121.9 Ų121.982%0.81858%0.581SS**  trans-57.8116-166.240.40000113.8N770S768-N770 PolarHBondContact O-N 3.25Å; S768-N770 VanDerWaalsContact O-N 3.13Å
769R42.9Very low55.9Low155 Ų155124.1 Ų124.159%0.58560%0.595SS**  trans-67.4107.9179.3-178.6-179.4-177.1-101.24.5111.1R767 F771R767-R769 PolarHBondContact O-N 2.65Å; R769-F771 PolarHBondContact O-N 3Å
770N47.2Very low55.1Low138 Ų138124.4 Ų124.474%0.73860%0.595SS**  trans-51.7123.4170.3-84.1-36.2000110.6S768 Y772S768-N770 PolarHBondContact O-N 3.25Å; S768-N770 VanDerWaalsContact O-N 3.13Å; N770-Y772 PolarHBondContact O-N 3.07Å
771F59.2Low54.5Low164 Ų164125.7 Ų125.772%0.71960%0.604SS**SBendtrans-73.8-15.1-168.4-148.5-90.3000113.4R769R769-F771 PolarHBondContact O-N 3Å
772Y53.6Low54Low183 Ų183131 Ų13172%0.71862%0.624SS**SBendtrans-129.8149.8-179.6-58.8-82.7000109.9N770N770-Y772 PolarHBondContact O-N 3.07Å
773Q52.7Low53.4Low104 Ų104133.4 Ų133.449%0.48664%0.641SS.*  trans-65.9143.9163.6-81.6179.3-90.100109.6
774P60.4Low52.7Low70 Ų70134.4 Ų134.446%0.45563%0.634SS.*  trans-54.8145.3173.4-24.733.6000111.9Q776 Y777 W778P774-Q776 PolarHBondContact O-N 2.85Å; P774-Y777 HydrophobicContact CB-CD2 4.26Å; P774-Y777 HydrophobicContact CG-CD2 4.22Å; P774-Y777 PolarHBondContact O-N 2.85Å; P774-W778 PolarHBondContact O-N 3.17Å; P774-W778 VanDerWaalsContact O-N 3.13Å
775L65.8Low52.3Low131 Ų131138.4 Ų138.469%0.68664%0.642SS**Hα-helixtrans-49.3-39.8-173.2178.561.8000113.4W778 L779L775-W778 VanDerWaalsContact O-CB 3.25Å; L775-W778 WeakPolarHBondContact O-CB 3.1Å; L775-W778 PolarHBondContact O-N 3.46Å; L775-L779 HydrophobicContact CD1-CD1 4.25Å; L775-L779 HydrophobicContact CD1-CG 4.27Å; L775-L779 HydrophobicContact CG-CD1 4Å; L775-L779 HydrophobicContact CG-CG 4.46Å; L775-L779 WeakPolarHBondContact O-CG 3.29Å; L775-L779 PolarHBondContact O-N 3.21Å
776Q60.4Low52Low143 Ų143142.3 Ų142.367%0.66866%0.66SS**Hα-helixtrans-64.3-40.1179.8-170.6168.7-5.700112.8P774 W778 L779 I780P774-Q776 PolarHBondContact O-N 2.85Å; Q776-W778 VanDerWaalsContact C-N 3.35Å; Q776-L779 PolarHBondContact O-N 3.21Å; Q776-I780 HydrophobicContact CG-CD1 3.9Å; Q776-I780 WeakPolarHBondContact O-CB 3.26Å; Q776-I780 WeakPolarHBondContact O-CD1 3.42Å; Q776-I780 VanDerWaalsContact O-CG1 3.22Å; Q776-I780 WeakPolarHBondContact O-CG1 3.46Å; Q776-I780 PolarHBondContact O-N 2.99Å
777Y58.8Low51.4Low135 Ų135133.8 Ų133.853%0.52965%0.648SS.*Hα-helixtrans-69.3-34.2172.5-76.3-73.7000112.2P774 S781P774-Y777 HydrophobicContact CB-CD2 4.26Å; P774-Y777 HydrophobicContact CG-CD2 4.22Å; P774-Y777 PolarHBondContact O-N 2.85Å; Y777-S781 VanDerWaalsContact O-CB 3.25Å; Y777-S781 WeakPolarHBondContact O-CB 3.47Å; Y777-S781 PolarHBondContact O-N 3Å; Y777-S781 PolarHBondContact O-OG 3.39Å
778W59.3Low51Low143 Ų143131.3 Ų131.354%0.54266%0.658SS.*Hα-helixtrans-59-51.8173.5-131.991.5000110.5P774 L775 Q776 S781P774-W778 PolarHBondContact O-N 3.17Å; P774-W778 VanDerWaalsContact O-N 3.13Å; L775-W778 VanDerWaalsContact O-CB 3.25Å; L775-W778 WeakPolarHBondContact O-CB 3.1Å; L775-W778 PolarHBondContact O-N 3.46Å; Q776-W778 VanDerWaalsContact C-N 3.35Å; W778-S781 PolarHBondContact O-N 2.86Å; W778-S781 PolarHBondContact O-OG 3.19Å
779L60.9Low50.4Low108 Ų108129.6 Ų129.657%0.56564%0.644SS**Hα-helixtrans-63.2-42179-69.3167.7000113.4L775 Q776L775-L779 HydrophobicContact CD1-CD1 4.25Å; L775-L779 HydrophobicContact CD1-CG 4.27Å; L775-L779 HydrophobicContact CG-CD1 4Å; L775-L779 HydrophobicContact CG-CG 4.46Å; L775-L779 WeakPolarHBondContact O-CG 3.29Å; L775-L779 PolarHBondContact O-N 3.21Å; Q776-L779 PolarHBondContact O-N 3.21Å
780I55.7Low50.4Low88 Ų88130.5 Ų130.545%0.45166%0.655SS.*Hα-helixtrans-71.4-32.1-179-66.5164.7000111.6Q776 E782 M783Q776-I780 HydrophobicContact CG-CD1 3.9Å; Q776-I780 WeakPolarHBondContact O-CB 3.26Å; Q776-I780 WeakPolarHBondContact O-CD1 3.42Å; Q776-I780 VanDerWaalsContact O-CG1 3.22Å; Q776-I780 WeakPolarHBondContact O-CG1 3.46Å; Q776-I780 PolarHBondContact O-N 2.99Å; I780-E782 PolarHBondContact O-N 2.96Å; I780-E782 VanDerWaalsContact O-N 3.1Å; I780-M783 PolarHBondContact O-N 3.24Å; I780-M783 VanDerWaalsContact O-N 3.16Å
781S52.3Low50Low82 Ų82131.6 Ų131.657%0.57365%0.653SS**THydrogen-bonded Turntrans-63.2-19.5-172.369.10000115.6Y777 W778Y777-S781 VanDerWaalsContact O-CB 3.25Å; Y777-S781 WeakPolarHBondContact O-CB 3.47Å; Y777-S781 PolarHBondContact O-N 3Å; Y777-S781 PolarHBondContact O-OG 3.39Å; W778-S781 PolarHBondContact O-N 2.86Å; W778-S781 PolarHBondContact O-OG 3.19Å
782E50.1Low49.1Very low157 Ų157131.8 Ų131.873%0.73466%0.656SS**THydrogen-bonded Turntrans-98.4-13.3178.8-62.1-168.7146.700114I780I780-E782 PolarHBondContact O-N 2.96Å; I780-E782 VanDerWaalsContact O-N 3.1Å
783M42.5Very low48.7Very low160 Ų160129.1 Ų129.179%0.78866%0.661SS**THydrogen-bonded Turntrans-105.6-19.7-162-67.2-15874.400117I780I780-M783 PolarHBondContact O-N 3.24Å; I780-M783 VanDerWaalsContact O-N 3.16Å
784T38.9Very low48Very low88 Ų88127.6 Ų127.654%0.5467%0.674SS.*  trans-132.6115.8-173.345.40000113.7E786T784-E786 WeakPolarHBondContact CB-O 3.49Å; T784-E786 PolarHBondContact O-N 2.86Å
785R45.1Very low46.9Very low258 Ų258129.5 Ų129.597%0.97469%0.689SS**SBendtrans-65.8-21.2166.6-92.9-178.6165.8179.7-5.6113.3
786E38.6Very low45.5Very low179 Ų179129.1 Ų129.184%0.83669%0.694SS**SBendtrans-124.1115.2-179.1-66.4173.3-14700108.9T784T784-E786 WeakPolarHBondContact CB-O 3.49Å; T784-E786 PolarHBondContact O-N 2.86Å
787G35.6Very low44.6Very low65 Ų65129.2 Ų129.267%0.6770%0.698SS**  trans174.475.1-174.500000113.1
788A38.4Very low43.7Very low89 Ų89131.2 Ų131.274%0.73671%0.712SS**  trans-67127.2165.500000108.7Q790A788-Q790 PolarHBondContact O-N 2.91Å; A788-Q790 VanDerWaalsContact O-N 3.11Å
789P40.5Very low42.5Very low82 Ų82131 Ų13153%0.53272%0.721SS.*  trans-66.3114.9177.126.9-32.9000109.2F791P789-F791 HydrophobicContact CG-CE2 4.48Å; P789-F791 HydrophobicContact CG-CZ 4.5Å; P789-F791 PolarHBondContact O-N 3.02Å
790Q41.7Very low41.7Very low174 Ų174133.8 Ų133.881%0.81374%0.736SS**  trans-70.6122.4163.7-67.3-176.4-0.700107.4A788 E792A788-Q790 PolarHBondContact O-N 2.91Å; A788-Q790 VanDerWaalsContact O-N 3.11Å; Q790-E792 VanDerWaalsContact C-N 3.28Å; Q790-E792 PolarHBondContact O-N 3.11Å
791F40.3Very low41.5Very low160 Ų160136.3 Ų136.370%0.70275%0.746SS**  trans-79.877.4178.5-69.3-87.8000109.8M757 P789M757-F791 HydrophobicContact CE-CE1 4.22Å; M757-F791 HydrophobicContact CE-CE2 3.84Å; M757-F791 HydrophobicContact CE-CZ 3.47Å; M757-F791 VanDerWaalsContact CE-CZ 3.47Å; M757-F791 HydrophobicContact SD-CZ 4.41Å; P789-F791 HydrophobicContact CG-CE2 4.48Å; P789-F791 HydrophobicContact CG-CZ 4.5Å; P789-F791 PolarHBondContact O-N 3.02Å
792E40.3Very low41.8Very low168 Ų168138.4 Ų138.479%0.78575%0.746SS**PPolyproline II helixtrans-70.4137.1160.8-66.1-154.4137.300109.5Q790Q790-E792 VanDerWaalsContact C-N 3.28Å; Q790-E792 PolarHBondContact O-N 3.11Å
793P43.7Very low43.1Very low127 Ų127135.9 Ų135.983%0.82573%0.731SS**PPolyproline II helixtrans-62.7136.717127.9-33.3000109.3
794G38.9Very low45.1Very low73 Ų73131.9 Ų131.975%0.75371%0.709SS**PPolyproline II helixtrans-63.4141.1-158.900000115.5
795S37.9Very low47.4Very low110 Ų110128.5 Ų128.577%0.76969%0.689SS**PPolyproline II helixtrans-67.7144.5155.149.30000109.8I797S795-I797 PolarHBondContact O-N 2.8Å
796P36.3Very low49.5Very low122 Ų122118.3 Ų118.379%0.79266%0.656SS**PPolyproline II helixtrans-65.5132.8-171.5-2334.3000113.1
797I40.7Very low51.9Low145 Ų145110.8 Ų110.874%0.74462%0.624SS**PPolyproline II helixtrans-73.9133.2153.8-62.3176.5000106S795 D799S795-I797 PolarHBondContact O-N 2.8Å; I797-D799 PolarHBondContact O-N 2.87Å
798H39.4Very low54.5Low178 Ų178108.8 Ų108.882%0.82460%0.597SS**PPolyproline II helixtrans-46130.4178.7-113.1-67.9000111.5L800H798-L800 PolarHBondContact O-N 2.86Å
799D35Very low56.7Low138 Ų138109.8 Ų109.874%0.73861%0.605SS**  trans-59.1104.5-166.1-52.7-84.4000112.7I797 Q801I797-D799 PolarHBondContact O-N 2.87Å; D799-Q801 PolarHBondContact O-N 3.49Å
800L44.9Very low58.8Low167 Ų167109.4 Ų109.487%0.87460%0.599SS**  trans-71.588.2149.5-72.6175.7000105.9H798 E802H798-L800 PolarHBondContact O-N 2.86Å; L800-E802 PolarHBondContact O-N 3.31Å
801Q49.5Very low60.8Low141 Ų141106.1 Ų106.166%0.65959%0.592SS**  trans-53.1111.8-174.3-168.7162.63.100110D799 Y803D799-Q801 PolarHBondContact O-N 3.49Å; Q801-Y803 VanDerWaalsContact O-CD2 3.29Å; Q801-Y803 WeakPolarHBondContact O-CD2 3.3Å; Q801-Y803 PolarHBondContact O-N 2.7Å
802E59.9Low62.9Low125 Ų125102.4 Ų102.458%0.58459%0.586SS**  trans-63.3104179.1-74.3-160.9164.700108.6R767 L800 K804R767-E802 IonicContact CZ-OE1 2.79Å; R767-E802 IonicContact CZ-OE2 3.36Å; R767-E802 IonicContact NH1-OE1 3.72Å; R767-E802 PolarHBondContact NH1-OE1 2.91Å; R767-E802 IonicContact NH1-OE2 3.4Å; R767-E802 PolarHBondContact NH1-OE2 2.77Å; R767-E802 IonicContact NH2-OE1 3.47Å; R767-E802 IonicContact NH2-OE2 2.85Å; L800-E802 PolarHBondContact O-N 3.31Å; E802-K804 VanDerWaalsContact C-N 3.34Å; E802-K804 PolarHBondContact O-N 2.83Å
803Y76.5Confident65.2Low104 Ų10499 Ų9941%0.40857%0.569SS.*  trans-71.391177.8-68-75000109.5Q801 D838 A839 I840 P849Q801-Y803 VanDerWaalsContact O-CD2 3.29Å; Q801-Y803 WeakPolarHBondContact O-CD2 3.3Å; Q801-Y803 PolarHBondContact O-N 2.7Å; Y803-D838 CarbonylContact O-C 3.57Å; Y803-D838 WeakPolarHBondContact O-CA 3.43Å; Y803-D838 PolarHBondContact O-N 3.05Å; Y803-A839 CarbonylContact C-O 3.6Å; Y803-A839 PolarHBondContact O-N 3.32Å; Y803-I840 HydrophobicContact CD1-CD1 3.58Å; Y803-I840 HydrophobicContact CD1-CG1 3.66Å; Y803-I840 HydrophobicContact CE1-CD1 3.69Å; Y803-I840 HydrophobicContact CE1-CG1 4.3Å; Y803-I840 HydrophobicContact CG-CD1 4.18Å; Y803-I840 HydrophobicContact CG-CG1 4.08Å; Y803-P849 HydrophobicContact CD1-CG 4.48Å; Y803-P849 HydrophobicContact CD2-CB 4.03Å; Y803-P849 HydrophobicContact CD2-CG 3.37Å; Y803-P849 HydrophobicContact CE2-CB 4.08Å; Y803-P849 HydrophobicContact CE2-CG 3.94Å; Y803-P849 HydrophobicContact CG-CG 3.68Å
804K85.5Confident67.3Low76 Ų7693.4 Ų93.433%0.3353%0.532SS..EExtended strand (participates in β ladder)trans-112.1143.1170.665173.8-167.8171.30110.7E802 D828 E831 M835 L836E802-K804 VanDerWaalsContact C-N 3.34Å; E802-K804 PolarHBondContact O-N 2.83Å; K804-D828 IonicContact NZ-OD2 3.69Å; K804-D828 PolarHBondContact NZ-OD2 3.31Å; K804-E831 WeakPolarHBondContact CE-OE1 3.37Å; K804-E831 IonicContact NZ-OE1 3.5Å; K804-E831 PolarHBondContact NZ-OE1 2.89Å; K804-M835 HydrophobicContact CB-CE 4.27Å; K804-M835 HydrophobicContact CD-CE 3.86Å; K804-M835 HydrophobicContact CG-CE 3.86Å; K804-L836 VanDerWaalsContact CA-O 3.29Å; K804-L836 WeakPolarHBondContact CA-O 3.21Å
805C87.4Confident69.8Low18 Ų1892.4 Ų92.412%0.12251%0.511CS..EExtended strand (participates in β ladder)trans-144.4156.617372.30000111.9A807 M835 L836 A839 R841C805-A807 PolarHBondContact O-N 3.1Å; C805-M835 CarbonylContact O-C 3.56Å; C805-M835 WeakPolarHBondContact O-CA 3.37Å; C805-L836 PolarHBondContact N-O 2.89Å; C805-L836 PolarHBondContact O-N 2.87Å; C805-A839 VanDerWaalsContact SG-CB 3.6Å; C805-R841 HydrophobicContact CB-CB 4.15Å
806T88.7Confident72.4Confident44 Ų4487.1 Ų87.127%0.2748%0.475SS..EExtended strand (participates in β ladder)trans-60130.3-179.558.20000111.7E833 M835 R841T806-E833 WeakPolarHBondContact CG2-OE2 3.46Å; T806-M835 HydrophobicContact CG2-SD 3.79Å; T806-R841 PolarHBondContact OG1-NH1 3.12Å
807A89.1Confident74.8Confident21 Ų2183 Ų8317%0.17445%0.45CS..PPolyproline II helixtrans-73.6141.3178.900000110.7C805 V825 W834 L836C805-A807 PolarHBondContact O-N 3.1Å; A807-V825 HydrophobicContact CB-CG1 3.92Å; A807-W834 HydrophobicContact CB-CB 4.05Å; A807-W834 VanDerWaalsContact CB-O 3.26Å; A807-W834 WeakPolarHBondContact CB-O 3.48Å; A807-W834 PolarHBondContact N-O 3.34Å; A807-L836 HydrophobicContact CB-CD2 3.55Å; A807-L836 HydrophobicContact CB-CG 3.85Å
808F89.3Confident76.9Confident22 Ų2279 Ų7910%0.09643%0.433CS..PPolyproline II helixtrans-68.9139.6169.7-66.9-90.1000109.9D810 K813 N814 R841 D844 V846F808-D810 PolarHBondContact O-N 2.85Å; F808-D810 VanDerWaalsContact O-N 3.14Å; F808-K813 HydrophobicContact CB-CB 3.75Å; F808-K813 HydrophobicContact CB-CD 4.33Å; F808-K813 HydrophobicContact CD1-CB 4.19Å; F808-K813 HydrophobicContact CD1-CD 3.71Å; F808-K813 HydrophobicContact CD2-CB 3.68Å; F808-K813 HydrophobicContact CE1-CD 4.11Å; F808-K813 HydrophobicContact CE2-CB 4.29Å; F808-K813 HydrophobicContact CG-CB 3.62Å; F808-K813 HydrophobicContact CG-CD 4Å; F808-K813 HydrophobicContact CG-CG 4.46Å; F808-N814 WeakPolarHBondContact CB-OD1 3.36Å; F808-N814 PolarHBondContact N-OD1 2.77Å; F808-N814 PolarHBondContact O-ND2 2.81Å; F808-R841 HydrophobicContact CZ-CG 4.38Å; F808-R841 VanDerWaalsContact CZ-NE 3.3Å; F808-D844 WeakPolarHBondContact CE1-OD1 3.27Å; F808-D844 VanDerWaalsContact CZ-O 3.31Å; F808-D844 WeakPolarHBondContact CZ-O 3.3Å; F808-V846 HydrophobicContact CE2-CG1 4.21Å; F808-V846 HydrophobicContact CE2-CG2 4.28Å
809A85.2Confident79.2Confident111 Ų11172.9 Ų72.992%0.91741%0.409SS*.SBendtrans-62.5-16.2172.700000113.5
810D85.2Confident81.6Confident74 Ų7474.9 Ų74.940%0.39641%0.408SS..SBendtrans-97.1111.9170-177.7-14.5000109.6F808 S812 K813F808-D810 PolarHBondContact O-N 2.85Å; F808-D810 VanDerWaalsContact O-N 3.14Å; D810-S812 PolarHBondContact O-N 2.84Å; D810-S812 VanDerWaalsContact O-N 3.11Å; D810-S812 VanDerWaalsContact OD1-CB 3.31Å; D810-S812 WeakPolarHBondContact OD1-CB 3.5Å; D810-S812 PolarHBondContact OD1-N 3.49Å; D810-S812 PolarHBondContact OD1-OG 3.07Å; D810-S812 PolarHBondContact OD2-OG 3.35Å; D810-K813 HydrophobicContact CB-CD 4.49Å; D810-K813 HydrophobicContact CB-CG 4.35Å; D810-K813 PolarHBondContact O-N 2.88Å; D810-K813 VanDerWaalsContact O-N 3.1Å
811P83.1Confident83.6Confident104 Ų10472.5 Ų72.568%0.67539%0.392SS*.G310 helixtrans-58.2-24.4179.7-2534.9000114.3K813 N814P811-K813 PolarHBondContact O-N 2.81Å; P811-N814 PolarHBondContact O-N 3.2Å
812S85.2Confident85.4Confident83 Ų8370.3 Ų70.358%0.5839%0.392SS*.G310 helixtrans-69.5-16.5179.771.80000113.6D810 V815D810-S812 PolarHBondContact O-N 2.84Å; D810-S812 VanDerWaalsContact O-N 3.11Å; D810-S812 VanDerWaalsContact OD1-CB 3.31Å; D810-S812 WeakPolarHBondContact OD1-CB 3.5Å; D810-S812 PolarHBondContact OD1-N 3.49Å; D810-S812 PolarHBondContact OD1-OG 3.07Å; D810-S812 PolarHBondContact OD2-OG 3.35Å; S812-V815 WeakPolarHBondContact O-CG2 3.44Å
813K86.9Confident86.8Confident95 Ų9565 Ų6541%0.41337%0.367SS..G310 helixtrans-91.4-12.1174.3-60.8-172-179.8-168.50113.6F808 D810 P811 V815 V846F808-K813 HydrophobicContact CB-CB 3.75Å; F808-K813 HydrophobicContact CB-CD 4.33Å; F808-K813 HydrophobicContact CD1-CB 4.19Å; F808-K813 HydrophobicContact CD1-CD 3.71Å; F808-K813 HydrophobicContact CD2-CB 3.68Å; F808-K813 HydrophobicContact CE1-CD 4.11Å; F808-K813 HydrophobicContact CE2-CB 4.29Å; F808-K813 HydrophobicContact CG-CB 3.62Å; F808-K813 HydrophobicContact CG-CD 4Å; F808-K813 HydrophobicContact CG-CG 4.46Å; D810-K813 HydrophobicContact CB-CD 4.49Å; D810-K813 HydrophobicContact CB-CG 4.35Å; D810-K813 PolarHBondContact O-N 2.88Å; D810-K813 VanDerWaalsContact O-N 3.1Å; P811-K813 PolarHBondContact O-N 2.81Å; K813-V815 PolarHBondContact O-N 3.08Å; K813-V846 WeakPolarHBondContact O-CG2 3.18Å
814N89.8Confident87.3Confident11 Ų1166.4 Ų66.46%0.05938%0.378CS..SBendtrans-85.146.3-179.2-62.5-32000111.7F808 P811 F823 L836F808-N814 WeakPolarHBondContact CB-OD1 3.36Å; F808-N814 PolarHBondContact N-OD1 2.77Å; F808-N814 PolarHBondContact O-ND2 2.81Å; P811-N814 PolarHBondContact O-N 3.2Å; N814-F823 PolarHBondContact O-N 3.46Å; N814-L836 HydrophobicContact CB-CD1 4.23Å; N814-L836 HydrophobicContact CB-CD2 4.06Å
815V90.2Very high87.5Confident51 Ų5165.9 Ų65.931%0.30938%0.38SS..BIsolated β-bridgetrans-133.7143.9-179.6-62.40000110.7S812 K813 A817 E821 F823S812-V815 WeakPolarHBondContact O-CG2 3.44Å; K813-V815 PolarHBondContact O-N 3.08Å; V815-A817 PolarHBondContact O-N 2.95Å; V815-E821 CarbonylContact C-O 3.53Å; V815-E821 VanDerWaalsContact CA-O 3.31Å; V815-E821 WeakPolarHBondContact CA-O 3.31Å; V815-F823 VanDerWaalsContact C-CE2 3.47Å
816C92.1Very high87.4Confident0 Ų067.2 Ų67.20%039%0.388CS..BIsolated β-bridgetrans-68.3122.6-176.9178.80000111.1V818 C819 Y820 E821 F823 V846 C851C816-V818 PolarHBondContact O-N 2.86Å; C816-C819 WeakPolarHBondContact CB-SG 3.37Å; C816-C819 PolarHBondContact SG-SG 3.17Å; C816-Y820 WeakPolarHBondContact O-CA 3.43Å; C816-Y820 PolarHBondContact O-N 2.98Å; C816-E821 PolarHBondContact N-O 2.81Å; C816-F823 HydrophobicContact CB-CE2 3.99Å; C816-F823 HydrophobicContact CB-CZ 3.68Å; C816-F823 VanDerWaalsContact N-CE2 3.33Å; C816-V846 CarbonylContact C-O 3.56Å; C816-V846 VanDerWaalsContact CA-O 3.31Å; C816-V846 WeakPolarHBondContact CA-O 3.32Å; C816-C851 VanDerWaalsContact SG-CB 3.6Å
817A87.1Confident87.4Confident34 Ų3469.6 Ų69.628%0.28139%0.392SS..THydrogen-bonded Turntrans-71.35.7-175.200000115.6V815 K845 V846 Y847V815-A817 PolarHBondContact O-N 2.95Å; A817-K845 HydrophobicContact CB-CB 3.99Å; A817-K845 HydrophobicContact CB-CD 4.07Å; A817-K845 HydrophobicContact CB-CG 4.25Å; A817-V846 PolarHBondContact N-O 2.86Å; A817-Y847 HydrophobicContact CB-CD1 4.36Å; A817-Y847 HydrophobicContact CB-CE1 3.82Å; A817-Y847 HydrophobicContact CB-CE2 4.5Å
818V85.3Confident87Confident63 Ų6370 Ų7038%0.38239%0.391SS..THydrogen-bonded Turntrans-117.1-51175.2176.80000111.9C816 Y820 Y847 C851 A855C816-V818 PolarHBondContact O-N 2.86Å; V818-Y820 WeakPolarHBondContact O-CE2 3.41Å; V818-Y847 HydrophobicContact CG2-CD1 3.83Å; V818-Y847 HydrophobicContact CG2-CE1 3.85Å; V818-C851 HydrophobicContact CB-CB 4.01Å; V818-C851 HydrophobicContact CG1-CB 4.48Å; V818-C851 HydrophobicContact CG2-CB 4.31Å; V818-A855 HydrophobicContact CG2-CB 4.19Å
819C88.1Confident86.6Confident48 Ų4876.8 Ų76.832%0.32442%0.423SS..THydrogen-bonded Turntrans-97.7-8.3-179.463.70000114.7C816 E821 H848C816-C819 WeakPolarHBondContact CB-SG 3.37Å; C816-C819 PolarHBondContact SG-SG 3.17Å; C819-E821 HydrophobicContact CB-CG 4.36Å; C819-E821 PolarHBondContact O-N 3.27Å; C819-E821 PolarHBondContact SG-OE2 2.85Å; C819-H848 VanDerWaalsContact SG-CE1 3.56Å; C819-H848 PolarHBondContact SG-ND1 3.04Å; C819-H848 VanDerWaalsContact SG-ND1 3.41Å
820Y84.6Confident86.4Confident181 Ų18179.9 Ų79.971%0.7142%0.419SS*.  trans61.415.6-179.4-54.8-89.2000115.5C816 V818C816-Y820 WeakPolarHBondContact O-CA 3.43Å; C816-Y820 PolarHBondContact O-N 2.98Å; V818-Y820 WeakPolarHBondContact O-CE2 3.41Å
821E88.1Confident86Confident117 Ų11781.1 Ų81.155%0.54742%0.422SS..PPolyproline II helixtrans-76.7145.3172.8-64174.4128.700111.1V815 C816 C819 H848V815-E821 CarbonylContact C-O 3.53Å; V815-E821 VanDerWaalsContact CA-O 3.31Å; V815-E821 WeakPolarHBondContact CA-O 3.31Å; C816-E821 PolarHBondContact N-O 2.81Å; C819-E821 HydrophobicContact CB-CG 4.36Å; C819-E821 PolarHBondContact O-N 3.27Å; C819-E821 PolarHBondContact SG-OE2 2.85Å; E821-H848 IonicContact OE2-CE1 2.71Å; E821-H848 PolarHBondContact OE2-CE1 3.12Å; E821-H848 IonicContact OE2-ND1 2.77Å
822S87.2Confident86Confident95 Ų9583.4 Ų83.466%0.66442%0.424SS*.BIsolated β-bridgetrans-87.4130.6179.157.60000112.1
823F89.2Confident86.1Confident13 Ų1384.3 Ų84.36%0.05742%0.419CS..PPolyproline II helixtrans-72.4154.3177.3-59-84.7000112.4N814 V815 C816 V825 L836 D838 A839 V846 H848N814-F823 PolarHBondContact O-N 3.46Å; V815-F823 VanDerWaalsContact C-CE2 3.47Å; C816-F823 HydrophobicContact CB-CE2 3.99Å; C816-F823 HydrophobicContact CB-CZ 3.68Å; C816-F823 VanDerWaalsContact N-CE2 3.33Å; F823-V825 PolarHBondContact O-N 3.43Å; F823-L836 HydrophobicContact CB-CB 4Å; F823-L836 HydrophobicContact CB-CD1 4.28Å; F823-L836 HydrophobicContact CB-CD2 4.14Å; F823-L836 HydrophobicContact CB-CG 4.36Å; F823-L836 HydrophobicContact CD2-CD1 4.05Å; F823-L836 HydrophobicContact CG-CB 4.41Å; F823-L836 HydrophobicContact CG-CD1 4.32Å; F823-D838 WeakPolarHBondContact CE1-O 3.49Å; F823-A839 HydrophobicContact CD1-CB 3.61Å; F823-A839 HydrophobicContact CE1-CB 3.67Å; F823-A839 HydrophobicContact CG-CB 4.11Å; F823-A839 HydrophobicContact CZ-CB 4.24Å; F823-V846 HydrophobicContact CD2-CB 4.35Å; F823-V846 HydrophobicContact CD2-CG2 4Å; F823-V846 HydrophobicContact CE2-CB 3.62Å; F823-V846 HydrophobicContact CE2-CG2 3.5Å; F823-V846 HydrophobicContact CZ-CB 4.06Å; F823-V846 HydrophobicContact CZ-CG2 4.42Å; F823-H848 AromaticContact CD1-CD2 3.87Å; F823-H848 AromaticContact CD1-NE2 3.97Å; F823-H848 AromaticContact CE1-CD2 3.33Å; F823-H848 WeakPolarHBondContact CE1-CD2 3.41Å; F823-H848 AromaticContact CE1-CG 4Å; F823-H848 AromaticContact CE1-NE2 3.72Å
824E86.5Confident86.2Confident134 Ų13486.7 Ų86.763%0.62643%0.425SS*.PPolyproline II helixtrans-77.2117.1171.1-168.2170.7172.200109.9V826 Q837E824-V826 HydrophobicContact CG-CG2 3.9Å; E824-Q837 PolarHBondContact O-N 2.86Å; E824-Q837 VanDerWaalsContact O-N 3.16Å
825V89.8Confident86.2Confident64 Ų6486.7 Ų86.739%0.38843%0.425SS..EExtended strand (participates in β ladder)trans-86.8116.7177.4-162.80000109.3A807 F823 W834 M835 L836A807-V825 HydrophobicContact CB-CG1 3.92Å; F823-V825 PolarHBondContact O-N 3.43Å; V825-W834 HydrophobicContact CG1-CB 4.07Å; V825-W834 HydrophobicContact CG1-CD2 4.45Å; V825-W834 HydrophobicContact CG1-CE3 3.95Å; V825-M835 WeakPolarHBondContact CA-O 3.44Å; V825-L836 HydrophobicContact CB-CD2 4.23Å; V825-L836 HydrophobicContact CG1-CD2 4.18Å; V825-L836 HydrophobicContact CG2-CD2 3.72Å
826V85.6Confident86.2Confident46 Ų4684.2 Ų84.228%0.27941%0.41SS..EExtended strand (participates in β ladder)trans-127.6134.7-176.5-175.80000109.4E824 D828 M835 Q837E824-V826 HydrophobicContact CG-CG2 3.9Å; V826-D828 PolarHBondContact O-N 3.02Å; V826-M835 PolarHBondContact N-O 3.25Å; V826-M835 PolarHBondContact O-N 3.45Å; V826-Q837 HydrophobicContact CG2-CG 4.24Å
827W88.7Confident86Confident95 Ų9587.4 Ų87.436%0.3643%0.425SS..EExtended strand (participates in β ladder)trans-71124.3172.8179.9-89.5000110H829 E832 W834W827-H829 AromaticContact CD1-CE1 3.67Å; W827-H829 AromaticContact CD1-CG 3.92Å; W827-H829 AromaticContact CD1-ND1 3.7Å; W827-H829 AromaticContact CD1-NE2 3.89Å; W827-H829 AromaticContact NE1-CE1 3.82Å; W827-H829 AromaticContact NE1-ND1 3.58Å; W827-E832 WeakPolarHBondContact CH2-O 3.36Å; W827-E832 HydrophobicContact CZ2-CB 4.21Å; W827-E832 WeakPolarHBondContact CZ2-O 3.25Å; W827-W834 HydrophobicContact CB-CD2 4.46Å; W827-W834 HydrophobicContact CB-CE3 3.99Å; W827-W834 HydrophobicContact CB-CH2 4.31Å; W827-W834 HydrophobicContact CB-CZ3 3.93Å; W827-W834 AromaticContact CE3-CD1 3.72Å; W827-W834 AromaticContact CE3-CD2 3.78Å; W827-W834 HydrophobicContact CE3-CD2 3.78Å; W827-W834 AromaticContact CE3-CE2 3.59Å; W827-W834 HydrophobicContact CE3-CE3 4.44Å; W827-W834 AromaticContact CE3-CG 3.88Å; W827-W834 HydrophobicContact CE3-CG 3.88Å; W827-W834 HydrophobicContact CE3-CZ2 4.15Å; W827-W834 AromaticContact CE3-NE1 3.53Å; W827-W834 AromaticContact CZ3-CD1 3.71Å; W827-W834 HydrophobicContact CZ3-CG 4.28Å; W827-W834 AromaticContact CZ3-NE1 3.61Å
828D81.2Confident85.9Confident28 Ų2891 Ų9115%0.1544%0.439CS..  trans-89.8125.3172.2-160.5-38.5000109.7K804 V826 E830 E831 E832 E833 M835K804-D828 IonicContact NZ-OD2 3.69Å; K804-D828 PolarHBondContact NZ-OD2 3.31Å; V826-D828 PolarHBondContact O-N 3.02Å; D828-E830 PolarHBondContact OD1-N 3.23Å; D828-E831 HydrophobicContact CB-CB 4.45Å; D828-E832 PolarHBondContact O-N 3.03Å; D828-E833 PolarHBondContact N-O 3.08Å; D828-M835 HydrophobicContact CB-CB 4.5Å; D828-M835 HydrophobicContact CB-CG 3.67Å
829H80.4Confident86Confident165 Ų16588 Ų8876%0.76442%0.422SS*.THydrogen-bonded Turntrans-82.8-11.2179.9-83.9-65.5000113.6W827W827-H829 AromaticContact CD1-CE1 3.67Å; W827-H829 AromaticContact CD1-CG 3.92Å; W827-H829 AromaticContact CD1-ND1 3.7Å; W827-H829 AromaticContact CD1-NE2 3.89Å; W827-H829 AromaticContact NE1-CE1 3.82Å; W827-H829 AromaticContact NE1-ND1 3.58Å
830E80.1Confident86Confident177 Ų17787.6 Ų87.683%0.82742%0.416SS*.THydrogen-bonded Turntrans-95.7-33.2177.8-61.1-171.4160.800112.4D828D828-E830 PolarHBondContact OD1-N 3.23Å
831E77.9Confident86.1Confident99 Ų9983.8 Ų83.846%0.46340%0.4SS..THydrogen-bonded Turntrans-97.4-6.3177.8-71.6178-135.900113.8K804 D828 E833 M835K804-E831 WeakPolarHBondContact CE-OE1 3.37Å; K804-E831 IonicContact NZ-OE1 3.5Å; K804-E831 PolarHBondContact NZ-OE1 2.89Å; D828-E831 HydrophobicContact CB-CB 4.45Å; E831-E833 PolarHBondContact O-N 2.8Å; E831-E833 VanDerWaalsContact O-N 3.16Å; E831-M835 WeakPolarHBondContact OE2-CE 3.47Å
832E83.1Confident85.9Confident153 Ų15380.4 Ų80.472%0.71539%0.387SS*.SBendtrans52.428.4-176.2-59.1-161144.800114.7W827 D828W827-E832 WeakPolarHBondContact CH2-O 3.36Å; W827-E832 HydrophobicContact CZ2-CB 4.21Å; W827-E832 WeakPolarHBondContact CZ2-O 3.25Å; D828-E832 PolarHBondContact O-N 3.03Å
833E87Confident85.6Confident102 Ų10283 Ų8348%0.47739%0.393SS..SBendtrans-127.5164177.3-71.5-161.8-175.900112.7T806 D828 E831T806-E833 WeakPolarHBondContact CG2-OE2 3.46Å; D828-E833 PolarHBondContact N-O 3.08Å; E831-E833 PolarHBondContact O-N 2.8Å; E831-E833 VanDerWaalsContact O-N 3.16Å
834W88.5Confident85.4Confident145 Ų14586.9 Ų86.955%0.54942%0.415SS..EExtended strand (participates in β ladder)trans-80.2122168.7-68.996.7000109.5A807 V825 W827A807-W834 HydrophobicContact CB-CB 4.05Å; A807-W834 VanDerWaalsContact CB-O 3.26Å; A807-W834 WeakPolarHBondContact CB-O 3.48Å; A807-W834 PolarHBondContact N-O 3.34Å; V825-W834 HydrophobicContact CG1-CB 4.07Å; V825-W834 HydrophobicContact CG1-CD2 4.45Å; V825-W834 HydrophobicContact CG1-CE3 3.95Å; W827-W834 HydrophobicContact CB-CD2 4.46Å; W827-W834 HydrophobicContact CB-CE3 3.99Å; W827-W834 HydrophobicContact CB-CH2 4.31Å; W827-W834 HydrophobicContact CB-CZ3 3.93Å; W827-W834 AromaticContact CE3-CD1 3.72Å; W827-W834 AromaticContact CE3-CD2 3.78Å; W827-W834 HydrophobicContact CE3-CD2 3.78Å; W827-W834 AromaticContact CE3-CE2 3.59Å; W827-W834 HydrophobicContact CE3-CE3 4.44Å; W827-W834 AromaticContact CE3-CG 3.88Å; W827-W834 HydrophobicContact CE3-CG 3.88Å; W827-W834 HydrophobicContact CE3-CZ2 4.15Å; W827-W834 AromaticContact CE3-NE1 3.53Å; W827-W834 AromaticContact CZ3-CD1 3.71Å; W827-W834 HydrophobicContact CZ3-CG 4.28Å; W827-W834 AromaticContact CZ3-NE1 3.61Å
835M89.7Confident85.4Confident10 Ų1086 Ų865%0.04941%0.409CS..EExtended strand (participates in β ladder)trans-110.8150.5-180-61.3-62.7-100.300111.2K804 C805 T806 V825 V826 D828 E831K804-M835 HydrophobicContact CB-CE 4.27Å; K804-M835 HydrophobicContact CD-CE 3.86Å; K804-M835 HydrophobicContact CG-CE 3.86Å; C805-M835 CarbonylContact O-C 3.56Å; C805-M835 WeakPolarHBondContact O-CA 3.37Å; T806-M835 HydrophobicContact CG2-SD 3.79Å; V825-M835 WeakPolarHBondContact CA-O 3.44Å; V826-M835 PolarHBondContact N-O 3.25Å; V826-M835 PolarHBondContact O-N 3.45Å; D828-M835 HydrophobicContact CB-CB 4.5Å; D828-M835 HydrophobicContact CB-CG 3.67Å; E831-M835 WeakPolarHBondContact OE2-CE 3.47Å
836L90.4Very high85.5Confident0 Ų083 Ų830%039%0.391CS..EExtended strand (participates in β ladder)trans-96.2131.8168.6-54.7-177.6000108.9K804 C805 A807 N814 F823 V825 A839 V846K804-L836 VanDerWaalsContact CA-O 3.29Å; K804-L836 WeakPolarHBondContact CA-O 3.21Å; C805-L836 PolarHBondContact N-O 2.89Å; C805-L836 PolarHBondContact O-N 2.87Å; A807-L836 HydrophobicContact CB-CD2 3.55Å; A807-L836 HydrophobicContact CB-CG 3.85Å; N814-L836 HydrophobicContact CB-CD1 4.23Å; N814-L836 HydrophobicContact CB-CD2 4.06Å; F823-L836 HydrophobicContact CB-CB 4Å; F823-L836 HydrophobicContact CB-CD1 4.28Å; F823-L836 HydrophobicContact CB-CD2 4.14Å; F823-L836 HydrophobicContact CB-CG 4.36Å; F823-L836 HydrophobicContact CD2-CD1 4.05Å; F823-L836 HydrophobicContact CG-CB 4.41Å; F823-L836 HydrophobicContact CG-CD1 4.32Å; V825-L836 HydrophobicContact CB-CD2 4.23Å; V825-L836 HydrophobicContact CG1-CD2 4.18Å; V825-L836 HydrophobicContact CG2-CD2 3.72Å; L836-A839 HydrophobicContact CB-CB 3.52Å; L836-A839 HydrophobicContact CD1-CB 4.39Å; L836-V846 HydrophobicContact CD1-CB 4.42Å; L836-V846 HydrophobicContact CD1-CG1 4.08Å; L836-V846 HydrophobicContact CD1-CG2 4.11Å
837Q86.9Confident85.7Confident67 Ų6782.2 Ų82.231%0.31338%0.383SS..EExtended strand (participates in β ladder)trans-89.4147.2174.5-65.3-173.38.600111.9E824 V826 A839E824-Q837 PolarHBondContact O-N 2.86Å; E824-Q837 VanDerWaalsContact O-N 3.16Å; V826-Q837 HydrophobicContact CG2-CG 4.24Å; Q837-A839 VanDerWaalsContact C-N 3.27Å; Q837-A839 PolarHBondContact O-N 3.09Å
838D86Confident85.7Confident109 Ų10979.7 Ų79.758%0.58338%0.375SS*.THydrogen-bonded Turntrans52.641.4-172-95.3-32.8000113.2Y803 F823 H848 P849Y803-D838 CarbonylContact O-C 3.57Å; Y803-D838 WeakPolarHBondContact O-CA 3.43Å; Y803-D838 PolarHBondContact O-N 3.05Å; F823-D838 WeakPolarHBondContact CE1-O 3.49Å; D838-H848 WeakPolarHBondContact O-CA 3.45Å; D838-H848 PolarHBondContact O-CD2 2.99Å; D838-P849 WeakPolarHBondContact O-CD 3.14Å
839A88Confident85.9Confident1 Ų179.4 Ų79.41%0.00838%0.375CS..  trans-128.8133.2-17300000112.8Y803 C805 F823 L836 Q837Y803-A839 CarbonylContact C-O 3.6Å; Y803-A839 PolarHBondContact O-N 3.32Å; C805-A839 VanDerWaalsContact SG-CB 3.6Å; F823-A839 HydrophobicContact CD1-CB 3.61Å; F823-A839 HydrophobicContact CE1-CB 3.67Å; F823-A839 HydrophobicContact CG-CB 4.11Å; F823-A839 HydrophobicContact CZ-CB 4.24Å; L836-A839 HydrophobicContact CB-CB 3.52Å; L836-A839 HydrophobicContact CD1-CB 4.39Å; Q837-A839 VanDerWaalsContact C-N 3.27Å; Q837-A839 PolarHBondContact O-N 3.09Å
840I86.2Confident86.1Confident39 Ų3977.5 Ų77.520%0.237%0.369CS..EExtended strand (participates in β ladder)trans-116.3126169.4-51.1-174.6000108.1Y803 V842 V846 Y847 P849Y803-I840 HydrophobicContact CD1-CD1 3.58Å; Y803-I840 HydrophobicContact CD1-CG1 3.66Å; Y803-I840 HydrophobicContact CE1-CD1 3.69Å; Y803-I840 HydrophobicContact CE1-CG1 4.3Å; Y803-I840 HydrophobicContact CG-CD1 4.18Å; Y803-I840 HydrophobicContact CG-CG1 4.08Å; I840-V842 HydrophobicContact CG2-CG2 3.98Å; I840-V846 WeakPolarHBondContact O-CA 3.28Å; I840-Y847 PolarHBondContact N-O 3.02Å; I840-Y847 PolarHBondContact O-N 3.03Å; I840-P849 HydrophobicContact CD1-CB 3.99Å; I840-P849 HydrophobicContact CD1-CG 4.1Å; I840-P849 HydrophobicContact CG1-CG 4.2Å
841R88.4Confident86.4Confident101 Ų10170 Ų7038%0.38134%0.336SS..EExtended strand (participates in β ladder)trans-92.7123.3175.8-174.9172.7171.7-176.8-3.1110.4C805 T806 F808 D844 K845 V846C805-R841 HydrophobicContact CB-CB 4.15Å; T806-R841 PolarHBondContact OG1-NH1 3.12Å; F808-R841 HydrophobicContact CZ-CG 4.38Å; F808-R841 VanDerWaalsContact CZ-NE 3.3Å; R841-D844 IonicContact CZ-OD1 3.19Å; R841-D844 IonicContact NE-OD1 3.26Å; R841-D844 IonicContact NH2-OD1 2.66Å; R841-D844 PolarHBondContact NH2-OD1 2.9Å; R841-K845 CarbonylContact C-O 3.58Å; R841-K845 VanDerWaalsContact CA-O 3.32Å; R841-K845 WeakPolarHBondContact CA-O 3.47Å; R841-V846 HydrophobicContact CB-CG1 3.72Å; R841-V846 HydrophobicContact CG-CG1 4.07Å
842V83.8Confident86.7Confident46 Ų4668.9 Ų68.928%0.27933%0.331SS..EExtended strand (participates in β ladder)trans-138.9130.7178.4-172.30000108.1I840 D844 K845 Y847 Q852I840-V842 HydrophobicContact CG2-CG2 3.98Å; V842-D844 VanDerWaalsContact C-N 3.32Å; V842-D844 PolarHBondContact O-N 3.07Å; V842-K845 PolarHBondContact N-O 2.92Å; V842-K845 CarbonylContact O-C 3.56Å; V842-K845 PolarHBondContact O-N 2.8Å; V842-Y847 HydrophobicContact CB-CD2 4.22Å; V842-Y847 HydrophobicContact CB-CE2 4.01Å; V842-Y847 HydrophobicContact CG2-CD2 4.39Å; V842-Q852 HydrophobicContact CG2-CG 4.02Å
843D80.3Confident86.6Confident148 Ų14867.8 Ų67.879%0.79133%0.326SS*.THydrogen-bonded Turntrans45.151.4175.9-57.8-26000114.6K845D843-K845 PolarHBondContact O-N 3.36Å; D843-K845 VanDerWaalsContact O-N 3.12Å
844D84.1Confident86.1Confident96 Ų9666.7 Ų66.751%0.51332%0.323SS..THydrogen-bonded Turntrans56.821.2-179.2-113.210.2000116F808 R841 V842F808-D844 WeakPolarHBondContact CE1-OD1 3.27Å; F808-D844 VanDerWaalsContact CZ-O 3.31Å; F808-D844 WeakPolarHBondContact CZ-O 3.3Å; R841-D844 IonicContact CZ-OD1 3.19Å; R841-D844 IonicContact NE-OD1 3.26Å; R841-D844 IonicContact NH2-OD1 2.66Å; R841-D844 PolarHBondContact NH2-OD1 2.9Å; V842-D844 VanDerWaalsContact C-N 3.32Å; V842-D844 PolarHBondContact O-N 3.07Å
845K87.6Confident85.3Confident116 Ų11661.8 Ų61.850%0.50431%0.314SS..EExtended strand (participates in β ladder)trans-119.3164.3168.1-65.8163.9-172.4167.80109.7A817 R841 V842 D843 Y847A817-K845 HydrophobicContact CB-CB 3.99Å; A817-K845 HydrophobicContact CB-CD 4.07Å; A817-K845 HydrophobicContact CB-CG 4.25Å; R841-K845 CarbonylContact C-O 3.58Å; R841-K845 VanDerWaalsContact CA-O 3.32Å; R841-K845 WeakPolarHBondContact CA-O 3.47Å; V842-K845 PolarHBondContact N-O 2.92Å; V842-K845 CarbonylContact O-C 3.56Å; V842-K845 PolarHBondContact O-N 2.8Å; D843-K845 PolarHBondContact O-N 3.36Å; D843-K845 VanDerWaalsContact O-N 3.12Å; K845-Y847 HydrophobicContact CB-CD2 4.46Å; K845-Y847 HydrophobicContact CB-CE2 3.62Å; K845-Y847 WeakPolarHBondContact CD-OH 3.34Å
846V91.3Very high84.4Confident1 Ų165 Ų651%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-121.6149.6172.7-86.80000111.3F808 K813 C816 A817 F823 L836 I840 R841F808-V846 HydrophobicContact CE2-CG1 4.21Å; F808-V846 HydrophobicContact CE2-CG2 4.28Å; K813-V846 WeakPolarHBondContact O-CG2 3.18Å; C816-V846 CarbonylContact C-O 3.56Å; C816-V846 VanDerWaalsContact CA-O 3.31Å; C816-V846 WeakPolarHBondContact CA-O 3.32Å; A817-V846 PolarHBondContact N-O 2.86Å; F823-V846 HydrophobicContact CD2-CB 4.35Å; F823-V846 HydrophobicContact CD2-CG2 4Å; F823-V846 HydrophobicContact CE2-CB 3.62Å; F823-V846 HydrophobicContact CE2-CG2 3.5Å; F823-V846 HydrophobicContact CZ-CB 4.06Å; F823-V846 HydrophobicContact CZ-CG2 4.42Å; L836-V846 HydrophobicContact CD1-CB 4.42Å; L836-V846 HydrophobicContact CD1-CG1 4.08Å; L836-V846 HydrophobicContact CD1-CG2 4.11Å; I840-V846 WeakPolarHBondContact O-CA 3.28Å; R841-V846 HydrophobicContact CB-CG1 3.72Å; R841-V846 HydrophobicContact CG-CG1 4.07Å
847Y91.3Very high83Confident28 Ų2870 Ų7011%0.1137%0.37CS..EExtended strand (participates in β ladder)trans-142.3141.7-171.7-60.7-98000109.3A817 V818 I840 V842 K845 Q852 A855A817-Y847 HydrophobicContact CB-CD1 4.36Å; A817-Y847 HydrophobicContact CB-CE1 3.82Å; A817-Y847 HydrophobicContact CB-CE2 4.5Å; V818-Y847 HydrophobicContact CG2-CD1 3.83Å; V818-Y847 HydrophobicContact CG2-CE1 3.85Å; I840-Y847 PolarHBondContact N-O 3.02Å; I840-Y847 PolarHBondContact O-N 3.03Å; V842-Y847 HydrophobicContact CB-CD2 4.22Å; V842-Y847 HydrophobicContact CB-CE2 4.01Å; V842-Y847 HydrophobicContact CG2-CD2 4.39Å; K845-Y847 HydrophobicContact CB-CD2 4.46Å; K845-Y847 HydrophobicContact CB-CE2 3.62Å; K845-Y847 WeakPolarHBondContact CD-OH 3.34Å; Y847-Q852 HydrophobicContact CG-CB 4.33Å; Y847-A855 HydrophobicContact CD1-CB 3.96Å; Y847-A855 HydrophobicContact CE1-CB 3.56Å
848H88.5Confident81.1Confident43 Ų4375.5 Ų75.520%0.19940%0.396CS..  trans-61.8151.7159.2-59.4127.2000109C819 E821 F823 D838 I850 C851 Q852C819-H848 VanDerWaalsContact SG-CE1 3.56Å; C819-H848 PolarHBondContact SG-ND1 3.04Å; C819-H848 VanDerWaalsContact SG-ND1 3.41Å; E821-H848 IonicContact OE2-CE1 2.71Å; E821-H848 PolarHBondContact OE2-CE1 3.12Å; E821-H848 IonicContact OE2-ND1 2.77Å; F823-H848 AromaticContact CD1-CD2 3.87Å; F823-H848 AromaticContact CD1-NE2 3.97Å; F823-H848 AromaticContact CE1-CD2 3.33Å; F823-H848 WeakPolarHBondContact CE1-CD2 3.41Å; F823-H848 AromaticContact CE1-CG 4Å; F823-H848 AromaticContact CE1-NE2 3.72Å; D838-H848 WeakPolarHBondContact O-CA 3.45Å; D838-H848 PolarHBondContact O-CD2 2.99Å; H848-I850 VanDerWaalsContact C-N 3.33Å; H848-I850 PolarHBondContact O-N 3.4Å; H848-C851 HydrophobicContact CB-CB 4.04Å; H848-C851 CarbonylContact O-C 3.54Å; H848-C851 WeakPolarHBondContact O-CA 3.26Å; H848-C851 WeakPolarHBondContact O-CB 3.47Å; H848-C851 PolarHBondContact O-N 2.91Å; H848-Q852 PolarHBondContact O-N 2.66Å
849P84.6Confident79.1Confident22 Ų2278.1 Ų78.114%0.14340%0.403CS..Hα-helixtrans-50-48.8179.8-29.734.7000113.7Y803 D838 I840 C851 Q852 E853Y803-P849 HydrophobicContact CD1-CG 4.48Å; Y803-P849 HydrophobicContact CD2-CB 4.03Å; Y803-P849 HydrophobicContact CD2-CG 3.37Å; Y803-P849 HydrophobicContact CE2-CB 4.08Å; Y803-P849 HydrophobicContact CE2-CG 3.94Å; Y803-P849 HydrophobicContact CG-CG 3.68Å; D838-P849 WeakPolarHBondContact O-CD 3.14Å; I840-P849 HydrophobicContact CD1-CB 3.99Å; I840-P849 HydrophobicContact CD1-CG 4.1Å; I840-P849 HydrophobicContact CG1-CG 4.2Å; P849-C851 VanDerWaalsContact C-N 3.33Å; P849-C851 PolarHBondContact O-N 3.24Å; P849-Q852 WeakPolarHBondContact O-CB 3.5Å; P849-Q852 PolarHBondContact O-N 3.49Å; P849-Q852 VanDerWaalsContact O-N 3.13Å; P849-E853 PolarHBondContact O-N 2.67Å; P849-E853 VanDerWaalsContact O-N 3.16Å
850I83.8Confident76.6Confident124 Ų12483.1 Ų83.164%0.63644%0.438SS*.Hα-helixtrans-65.6-36.2177.5-52.2174.7000111.5H848 Q852 E853 D854H848-I850 VanDerWaalsContact C-N 3.33Å; H848-I850 PolarHBondContact O-N 3.4Å; I850-Q852 VanDerWaalsContact C-N 3.31Å; I850-Q852 PolarHBondContact O-N 2.85Å; I850-E853 PolarHBondContact O-N 2.89Å; I850-D854 PolarHBondContact O-N 3.48Å
851C86.3Confident74.6Confident21 Ų2188.1 Ų88.114%0.14246%0.463CS..Hα-helixtrans-69.7-27.2175.3-67.30000112.9C816 V818 H848 P849 A855C816-C851 VanDerWaalsContact SG-CB 3.6Å; V818-C851 HydrophobicContact CB-CB 4.01Å; V818-C851 HydrophobicContact CG1-CB 4.48Å; V818-C851 HydrophobicContact CG2-CB 4.31Å; H848-C851 HydrophobicContact CB-CB 4.04Å; H848-C851 CarbonylContact O-C 3.54Å; H848-C851 WeakPolarHBondContact O-CA 3.26Å; H848-C851 WeakPolarHBondContact O-CB 3.47Å; H848-C851 PolarHBondContact O-N 2.91Å; P849-C851 VanDerWaalsContact C-N 3.33Å; P849-C851 PolarHBondContact O-N 3.24Å; C851-A855 WeakPolarHBondContact O-CB 3.41Å; C851-A855 PolarHBondContact O-N 3.44Å; C851-A855 VanDerWaalsContact O-N 3.08Å
852Q85.9Confident72.2Confident75 Ų7592.4 Ų92.435%0.3549%0.485SS..Hα-helixtrans-71.6-39.4174-169.9-80.4-35.900110.5V842 Y847 H848 P849 I850 D854 A855V842-Q852 HydrophobicContact CG2-CG 4.02Å; Y847-Q852 HydrophobicContact CG-CB 4.33Å; H848-Q852 PolarHBondContact O-N 2.66Å; P849-Q852 WeakPolarHBondContact O-CB 3.5Å; P849-Q852 PolarHBondContact O-N 3.49Å; P849-Q852 VanDerWaalsContact O-N 3.13Å; I850-Q852 VanDerWaalsContact C-N 3.31Å; I850-Q852 PolarHBondContact O-N 2.85Å; Q852-D854 VanDerWaalsContact C-N 3.27Å; Q852-D854 PolarHBondContact O-N 3.44Å; Q852-A855 PolarHBondContact O-N 2.82Å
853E80.7Confident70Confident130 Ų13097.4 Ų97.461%0.60751%0.51SS*.Hα-helixtrans-61.2-33.4173.9-68.6-178.4-156.300112.9P849 I850 K857P849-E853 PolarHBondContact O-N 2.67Å; P849-E853 VanDerWaalsContact O-N 3.16Å; I850-E853 PolarHBondContact O-N 2.89Å; E853-K857 WeakPolarHBondContact O-CE 3.4Å; E853-K857 PolarHBondContact O-NZ 3.26Å
854D76.6Confident68Low78 Ų7899.1 Ų99.142%0.41751%0.513SS..Hα-helixtrans-87.9-15.7178-77.7-23000114.1I850 Q852 G856 K857I850-D854 PolarHBondContact O-N 3.48Å; Q852-D854 VanDerWaalsContact C-N 3.27Å; Q852-D854 PolarHBondContact O-N 3.44Å; D854-G856 PolarHBondContact O-N 3.42Å; D854-G856 VanDerWaalsContact O-N 3.13Å; D854-K857 PolarHBondContact O-N 3.1Å; D854-K857 WeakPolarHBondContact OD1-CD 3.36Å; D854-K857 IonicContact OD1-NZ 2.73Å; D854-K857 PolarHBondContact OD1-NZ 3.48Å
855A70.4Confident65.9Low43 Ų43104 Ų10436%0.35553%0.53SS..THydrogen-bonded Turntrans-67.1110.7178.400000111.3V818 Y847 C851 Q852V818-A855 HydrophobicContact CG2-CB 4.19Å; Y847-A855 HydrophobicContact CD1-CB 3.96Å; Y847-A855 HydrophobicContact CE1-CB 3.56Å; C851-A855 WeakPolarHBondContact O-CB 3.41Å; C851-A855 PolarHBondContact O-N 3.44Å; C851-A855 VanDerWaalsContact O-N 3.08Å; Q852-A855 PolarHBondContact O-N 2.82Å
856G70.7Confident63.4Low76 Ų76107.7 Ų107.778%0.78455%0.546SS*.THydrogen-bonded Turntrans104.9-2.5-178.400000114.9D854 E858D854-G856 PolarHBondContact O-N 3.42Å; D854-G856 VanDerWaalsContact O-N 3.13Å; G856-E858 PolarHBondContact O-N 3.37Å
857K61.3Low60.6Low105 Ų105117.5 Ų117.546%0.45759%0.589SS.*  trans-76.698.6169.8-66.6179.9-177.7132.70110.3E853 D854 F859E853-K857 WeakPolarHBondContact O-CE 3.4Å; E853-K857 PolarHBondContact O-NZ 3.26Å; D854-K857 PolarHBondContact O-N 3.1Å; D854-K857 WeakPolarHBondContact OD1-CD 3.36Å; D854-K857 IonicContact OD1-NZ 2.73Å; D854-K857 PolarHBondContact OD1-NZ 3.48Å; K857-F859 HydrophobicContact CB-CE2 4.08Å; K857-F859 WeakPolarHBondContact O-CD2 3.28Å; K857-F859 PolarHBondContact O-N 2.74Å; K857-F859 VanDerWaalsContact O-N 3.08Å
858E47.1Very low58.2Low184 Ų184121.7 Ų121.786%0.8662%0.619SS**  trans-69101.5175.8-70.9-166163.400112.4G856 S860G856-E858 PolarHBondContact O-N 3.37Å; E858-S860 PolarHBondContact O-N 2.99Å
859F44.1Very low55.7Low163 Ų163124.7 Ų124.772%0.71565%0.645SS**  trans-79.3103.2167.3-69.5-85.5000110.2K857 I861K857-F859 HydrophobicContact CB-CE2 4.08Å; K857-F859 WeakPolarHBondContact O-CD2 3.28Å; K857-F859 PolarHBondContact O-N 2.74Å; K857-F859 VanDerWaalsContact O-N 3.08Å; F859-I861 PolarHBondContact O-N 3.03Å
860S35.4Very low53.4Low106 Ų106129.2 Ų129.274%0.74168%0.675SS**  trans-6688.8177-86.30000113E858 K862E858-S860 PolarHBondContact O-N 2.99Å; S860-K862 PolarHBondContact O-N 3.47Å; S860-K862 VanDerWaalsContact O-N 3.15Å
861I43.7Very low51.3Low144 Ų144129.8 Ų129.874%0.73868%0.684SS**  trans-81.988.5173.8-56.4177.4000110.1F859 D863F859-I861 PolarHBondContact O-N 3.03Å; I861-D863 PolarHBondContact O-N 2.77Å
862K39.7Very low49Very low191 Ų191134.3 Ų134.383%0.8371%0.713SS**  trans-86.683.7165.4-71-175.7179.2178.40110.5S860S860-K862 PolarHBondContact O-N 3.47Å; S860-K862 VanDerWaalsContact O-N 3.15Å
863D37.2Very low46.4Very low152 Ų152136.9 Ų136.981%0.81373%0.734SS**  trans170.976.6144.2-94.2-19.2000111.4I861 K865I861-D863 PolarHBondContact O-N 2.77Å; D863-K865 PolarHBondContact O-N 3.08Å
864E37.6Very low44.4Very low183 Ų183138.5 Ų138.586%0.85574%0.741SS**  trans-74.4118.4168.4-80.6-145.8121.700111.9
865K39.8Very low42.5Very low200 Ų200140.5 Ų140.587%0.8775%0.752SS**  trans-129.972.2157.8-77.1-173.4178.9159.60113.6D863D863-K865 PolarHBondContact O-N 3.08Å
866K35.7Very low40.9Very low192 Ų192143.2 Ų143.284%0.83577%0.769SS**  6983.1128.6-163176.2-171.71720117.4
867F33.1Very low39Very low208 Ų208145.6 Ų145.691%0.91277%0.768SS**  trans-108.8127.8140.1-93.5-89.8000108.7
868P40.2Very low37.9Very low115 Ų115148.9 Ų148.975%0.74779%0.785SS**PPolyproline II helixtrans-75.9133.6-179.530.1-33.4000111.7
869S35.2Very low37.5Very low106 Ų106145.3 Ų145.374%0.74178%0.781SS**PPolyproline II helixtrans-74.5151.2177.5-147.30000111.9
870P37.4Very low36.9Very low117 Ų117144.6 Ų144.676%0.7679%0.79SS**PPolyproline II helixtrans-67.7136.8170.728.9-34.8000111.3
871V40Very low37Very low137 Ų137144.4 Ų144.483%0.8379%0.788SS**PPolyproline II helixtrans-80.2130.3179.8-177.30000110.2
872P37.6Very low36.7Very low115 Ų115142.9 Ų142.975%0.74779%0.791SS**PPolyproline II helixtrans-69.6150.9173.3-18.432.3000113.2
873T32Very low36.8Very low130 Ų130139.3 Ų139.380%0.79879%0.787SS**PPolyproline II helixtrans-70.5139.8167.6-49.20000110.6
874E37.2Very low36.8Very low163 Ų163141.1 Ų141.176%0.76279%0.79SS**  trans-167.3143.1131.4-110.1179.4-119.400114.8
875N36.5Very low36.7Very low120 Ų120135.8 Ų135.864%0.64279%0.785SS**  trans63.6106.6150.3-53.7-27.2000123
876S36.7Very low36.6Very low101 Ų101131.9 Ų131.971%0.70678%0.777SS**  70.494.9120.6-51.70000121.6
877T32.1Very low36.5Very low125 Ų125131.6 Ų131.677%0.76778%0.776SS**  25.9126.9117.758.80000118.3
878E38Very low36.8Very low174 Ų174130.6 Ų130.681%0.81377%0.774SS**  -164.4155.975.4-92.9-172.7159.900115.7
879S37.8Very low36.5Very low110 Ų110134.7 Ų134.777%0.76978%0.784SS**  trans4391.3141.6-54.10000121.8
880T32.2Very low36.7Very low148 Ų148134.7 Ų134.791%0.90879%0.79SS**  trans-82.3120.6157.2-57.30000111.7
881S38.1Very low36.6Very low101 Ų101132.3 Ų132.371%0.70679%0.786SS**  trans-173.6155.9142.755.30000113.6
882S37.1Very low36.5Very low113 Ų113133.1 Ų133.179%0.7979%0.786SS**  trans80.3142.9171.5-45.50000116.3
883P41.7Very low36.7Very low116 Ų116135.1 Ų135.175%0.75379%0.785SS**  trans-135.1-154.5-148.335.5-11000113.8
884E37.4Very low36.9Very low189 Ų189136.5 Ų136.588%0.88379%0.788SS**  trans78.6132169.8-49.1-170.9157.800116.1
885G35.1Very low37Very low72 Ų72132.5 Ų132.574%0.74278%0.783SS**  trans177.5-6177.400000123.9
886V36.7Very low37.1Very low118 Ų118135.9 Ų135.972%0.71579%0.792SS**  trans54.4102155-176.70000118.8
887K35.3Very low36.9Very low186 Ų186137.4 Ų137.481%0.80980%0.798SS**  trans68.3165.5150.4-52171-173.5174.50116.8
888E37.5Very low37.2Very low186 Ų186136.1 Ų136.187%0.86979%0.792SS**  cis-130.6174.916.5-74.6-179.1144.200113.9
889E34.1Very low37.3Very low202 Ų202135 Ų13594%0.94479%0.792SS**  trans-103.4128.4-176.4-61.7176.213500112.4
890A39.3Very low37.3Very low106 Ų106137.1 Ų137.188%0.87680%0.795SS**  trans-162.6152.3156.900000107.7
891G35.2Very low37.5Very low66 Ų66140.4 Ų140.468%0.6880%0.797SS**  cis142.5125.42.900000109.4
892D39.4Very low37.4Very low155 Ų155140 Ų14083%0.82979%0.794SS**  trans60.3124.6168.7-58.34.6000119.4
893E40.2Very low37.4Very low157 Ų157141.1 Ų141.173%0.73480%0.796SS**  trans-46.5151.4161.155.1-115.271.400115.7
894N38Very low36.9Very low158 Ų158142.5 Ų142.585%0.84580%0.797SS**  -179.1161.7127.4-104.6-71.3000115
895A38.8Very low36.8Very low80 Ų80140.1 Ų140.166%0.66180%0.796SS**  trans56.199.2155.800000120.8
896F37.4Very low36.8Very low190 Ų190142.7 Ų142.783%0.83380%0.797SS**  -162.9120.394-128.4-94.1000112.2
897T33.9Very low36.7Very low134 Ų134144.7 Ų144.782%0.82280%0.802SS**  trans-152.4124.4178.849.80000110.6
898C37.3Very low36.8Very low97 Ų97141.6 Ų141.666%0.65580%0.801SS**  trans-177.9153.8165.954.30000110
899D39.9Very low36.7Very low152 Ų152135.9 Ų135.981%0.81379%0.792SS**  cis-163.9163.2-30.8-107.1-45.1000108.8
900D38.1Very low36.9Very low154 Ų154134.3 Ų134.382%0.82479%0.789SS**  trans-70.9141.8177.9-82.2-51.3000113.6
901F37.6Very low36.8Very low216 Ų216134.1 Ų134.195%0.94778%0.781SS**  trans-96.198.1165.8-108.7-83.9000111.6
902S35.5Very low36.9Very low93 Ų93137.3 Ų137.365%0.6579%0.79SS**  trans-87.1146.8168.2-690000111.7
903T35.8Very low36.7Very low136 Ų136134.7 Ų134.783%0.83478%0.784SS**  172.4152.811733.50000116.1
904N33Very low36.4Very low145 Ų145133.4 Ų133.478%0.77579%0.787SS**  trans-42.1159173.3-49-47.5000118.5
905T35.3Very low36.2Very low139 Ų139131 Ų13185%0.85378%0.782SS**  -160.4152.7122.9-76.20000110.5
906V33.7Very low36.2Very low126 Ų126132.6 Ų132.676%0.76479%0.786SS**  trans-127.6135.4-173.11740000111.6
907I35.1Very low36.2Very low160 Ų160132.1 Ų132.182%0.82179%0.786SS**  trans-140.5139.3157.2-61.3-173.3000109
908P38.3Very low36Very low122 Ų122133.1 Ų133.179%0.79278%0.782SS**  trans-117.4172.6-16642.7-34.3000116.3
909G35.3Very low35.6Very low65 Ų65133 Ų13367%0.6778%0.78SS**  trans174.2109.716000000118.3
910L38.4Very low35.5Very low170 Ų170133.4 Ų133.489%0.8978%0.778SS**  trans54.1142.6146-46.1176.1000120.8
911S36.6Very low35.5Very low101 Ų101130.5 Ų130.571%0.70677%0.769SS**  cis-167.8141.2-18.8-87.50000109
912P36.7Very low35.7Very low134 Ų134127.2 Ų127.287%0.8776%0.757SS**  trans-112.2163.7-177.540-33.7000116.1
913S35.7Very low36Very low100 Ų100129.7 Ų129.770%0.69976%0.76SS**  trans-155.5115.6167.957.70000109.7
914T34Very low36.1Very low129 Ų129130 Ų13079%0.79176%0.756SS**  54.9137.584.963.90000114.8
915S33.5Very low36.3Very low108 Ų108127.9 Ų127.976%0.75575%0.752SS**  cis-167.3171.1-4.5-94.80000109.8
916P39Very low36.2Very low114 Ų114125.2 Ų125.274%0.7474%0.74SS**  trans-102.8158-168.938.9-35.3000116
917Q36.8Very low36.4Very low180 Ų180126.2 Ų126.284%0.84174%0.741SS**  trans-178.5167.3161.1-101.1167.3-17.500107.9
918Q30.1Very low36.4Very low155 Ų155123.8 Ų123.872%0.72473%0.734SS**  cis-174163.6-42.6-151.5172.3-16.100106.5
919C30Very low36.3Very low93 Ų93126.3 Ų126.363%0.62874%0.735SS**  trans67.4154.7166.4-59.50000116.4
920E36.3Very low36.6Very low161 Ų161127.8 Ų127.875%0.75273%0.732SS**  cis-160.7161.4-8.8-121.5154.5-14400110.8
921S39.6Very low36.3Very low93 Ų93128.1 Ų128.165%0.6573%0.729SS**  trans68.3147.9149.7-64.20000119.7
922E40.9Very low36Very low147 Ų147129.8 Ų129.869%0.68774%0.739SS**  cis-168157.2-3.3-121.9173.8171.300113
923M41.1Very low35.7Very low146 Ų146131.4 Ų131.472%0.71974%0.735SS**  trans67141.9152.8-45.7-112.7176.800118.2
924L38.4Very low35.5Very low141 Ų141135.8 Ų135.874%0.73874%0.742SS**  cis-157143.7-7.8-149.674.4000111.5
925S37.2Very low35.3Very low101 Ų101134.4 Ų134.471%0.70674%0.738SS**  trans29.3150.8141.4-64.20000124.3
926S34.3Very low35.3Very low84 Ų84135 Ų13559%0.58774%0.737SS**  cis177.9168.6-9.553.70000111.7
927N37.1Very low35Very low147 Ų147134.8 Ų134.879%0.78674%0.738SS**  trans73.5145.3154.7-59.8-12.5000118.2
928T35.6Very low34.9Very low109 Ų109132.2 Ų132.267%0.66973%0.734SS**  cis-166122.9-15-74.40000104.3
929E36.4Very low35.2Very low175 Ų175134 Ų13482%0.81874%0.74SS**  53.9155.990.1-85.5-168.1-175.500116.7
930P40.5Very low35.2Very low95 Ų95135.5 Ų135.562%0.61775%0.746SS**  cis-139.7-170.7-41.939.3-20.9000113.9
931E32.4Very low35.2Very low178 Ų178137.2 Ų137.283%0.83275%0.754SS**  trans45.4135.5144.6-75.8168.2-163.300124
932C30.8Very low34.8Very low135 Ų135137.6 Ų137.691%0.91276%0.757SS**  -159.4144114.2-155.60000111.3
933E29.4Very low34.5Very low169 Ų169137.3 Ų137.379%0.7976%0.759SS**  trans-100.9159.4-178.8-54.3-174.4127.100113
934F32.9Very low34.1Very low191 Ų191137.7 Ų137.784%0.83876%0.763SS**  trans-154.6144139.5-151-99.8000113.4
935S29.3Very low33.8Very low101 Ų101135.2 Ų135.271%0.70676%0.757SS**  trans-136.6122.5-174-72.40000113.8
936T33.5Very low33.6Very low121 Ų121138.5 Ų138.574%0.74277%0.767SS**  trans-160.8121.7157.638.80000107.5
937S32.5Very low33.6Very low109 Ų109139.5 Ų139.576%0.76277%0.774SS**  cis95.9136.230.1-1660000113.9
938V34Very low33.6Very low125 Ų125139.7 Ų139.776%0.75878%0.781SS**  trans71.4134178.5-1660000113.2
939K36.1Very low33.5Very low192 Ų192142 Ų14284%0.83579%0.787SS**  cis-143158.721.1-142.8152.2-163.6175.10113.1
940T31.1Very low33.5Very low125 Ų125138.8 Ų138.877%0.76779%0.785SS**  trans-84.1148.2171.946.30000113.3
941E36.7Very low33.7Very low197 Ų197138.8 Ų138.892%0.92179%0.793SS**  -159.8154.7129.9-115163.2-137.500111.1
942S31.5Very low35.1Very low102 Ų102134.3 Ų134.371%0.71377%0.774SS**  trans-98.9166.7-174.643.90000111.7
943I33.6Very low35.9Very low140 Ų140132.8 Ų132.872%0.71876%0.763SS**  175.2146.695.9-91.5171000109.7
944L33.7Very low37.3Very low154 Ų154128.8 Ų128.881%0.80675%0.746SS**  trans41.9104.9163-63.7164.2000118.7
945S31Very low38.5Very low89 Ų89123 Ų12362%0.62273%0.733SS**  83114.964.175.70000116.6
946N33.7Very low39.3Very low171 Ų171121.4 Ų121.491%0.91473%0.727SS**  trans-171.6112.5133.8-102.3-24000110.5
947S33.7Very low40Very low105 Ų105120.6 Ų120.673%0.73472%0.717SS**  trans-113.1105.3-178.9390000111.3I949S947-I949 PolarHBondContact O-N 3.2Å; S947-I949 VanDerWaalsContact O-N 3.17Å
948T37.3Very low41.3Very low151 Ų151121.3 Ų121.393%0.92671%0.707SS**  trans-78.794.6172.933.20000110.9
949I33.7Very low42.3Very low156 Ų156118.9 Ų118.980%0.870%0.7SS**  trans-73.9128.6177.6-64.2174.4000110.2S947S947-I949 PolarHBondContact O-N 3.2Å; S947-I949 VanDerWaalsContact O-N 3.17Å
950S36.7Very low43.5Very low109 Ų109115.4 Ų115.476%0.76269%0.694SS**  trans-82.2122174.3-1790000110.7D952S950-D952 PolarHBondContact O-N 2.9Å
951A44.8Very low44.7Very low95 Ų95114 Ų11479%0.78568%0.681SS**  trans-81111.2174.100000111
952D60.7Low45.3Very low84 Ų84113 Ų11345%0.44967%0.674SS.*  trans-99.4108.7172.3-172.1-14.2000110.4S950 L954 A955S950-D952 PolarHBondContact O-N 2.9Å; D952-L954 PolarHBondContact O-N 2.89Å; D952-L954 WeakPolarHBondContact OD1-CB 3.34Å; D952-L954 PolarHBondContact OD1-N 2.9Å; D952-A955 WeakPolarHBondContact O-CB 3.42Å; D952-A955 PolarHBondContact O-N 3.32Å
953P49.3Very low45.9Very low103 Ų103111.4 Ų111.467%0.66967%0.674SS**Hα-helixtrans-67.5-14.1-179.328.4-35000113.8A955P953-A955 VanDerWaalsContact C-N 3.25Å; P953-A955 PolarHBondContact O-N 3.35Å
954L58.2Low46.2Very low85 Ų85112.4 Ų112.445%0.44568%0.681SS.*Hα-helixtrans-69.7-22.6174.4-113.873.1000112.9D952 K958D952-L954 PolarHBondContact O-N 2.89Å; D952-L954 WeakPolarHBondContact OD1-CB 3.34Å; D952-L954 PolarHBondContact OD1-N 2.9Å; L954-K958 PolarHBondContact O-N 2.96Å; L954-K958 VanDerWaalsContact O-N 3.14Å
955A57.7Low46.2Very low68 Ų68112.9 Ų112.956%0.56268%0.682SS**Hα-helixtrans-67.5-46.6-178.900000111.9D952 P953 K958 A959D952-A955 WeakPolarHBondContact O-CB 3.42Å; D952-A955 PolarHBondContact O-N 3.32Å; P953-A955 VanDerWaalsContact C-N 3.25Å; P953-A955 PolarHBondContact O-N 3.35Å; A955-K958 PolarHBondContact O-N 2.85Å; A955-A959 PolarHBondContact O-N 2.98Å
956A46.3Very low46.3Very low69 Ų69113.9 Ų113.957%0.5769%0.69SS**Hα-helixtrans-62.6-44.3177.300000111.8K958 A959 V960A956-K958 VanDerWaalsContact C-N 3.26Å; A956-K958 PolarHBondContact O-N 2.95Å; A956-A959 WeakPolarHBondContact O-CB 3.29Å; A956-A959 PolarHBondContact O-N 3.44Å; A956-V960 PolarHBondContact O-N 3.03Å
957L48.3Very low46.4Very low104 Ų104111.3 Ų111.355%0.54569%0.685SS.*Hα-helixtrans-67.1-27.3-178.7-143.5156000112.1L961L957-L961 HydrophobicContact CD2-CD1 3.57Å; L957-L961 HydrophobicContact CD2-CG 4.26Å; L957-L961 WeakPolarHBondContact O-CG 3.3Å
958K59.1Low46.4Very low123 Ų123113.8 Ų113.854%0.53569%0.689SS.*Hα-helixtrans-74.5-19171.5-105.9-175.9175.2-179.10114.8L954 A955 A956L954-K958 PolarHBondContact O-N 2.96Å; L954-K958 VanDerWaalsContact O-N 3.14Å; A955-K958 PolarHBondContact O-N 2.85Å; A956-K958 VanDerWaalsContact C-N 3.26Å; A956-K958 PolarHBondContact O-N 2.95Å
959A55.7Low46.3Very low74 Ų74112 Ų11261%0.61268%0.683SS**Hα-helixtrans-81.3-40.4176.400000111.6A955 A956 L961A955-A959 PolarHBondContact O-N 2.98Å; A956-A959 WeakPolarHBondContact O-CB 3.29Å; A956-A959 PolarHBondContact O-N 3.44Å; A959-L961 PolarHBondContact O-N 3.09Å
960V61Low46.4Very low119 Ų119108.6 Ų108.672%0.72168%0.678SS**Hα-helixtrans-67.1-35.2-179.6179.20000112.2A956 K962A956-V960 PolarHBondContact O-N 3.03Å; V960-K962 VanDerWaalsContact C-N 3.25Å; V960-K962 PolarHBondContact O-N 2.98Å; V960-K962 VanDerWaalsContact O-N 3.15Å
961L55.3Low46.2Very low95 Ų95112.3 Ų112.350%0.49768%0.683SS.*THydrogen-bonded Turntrans-86.834.4-176-63.6176.6000114.4Y24 L957 A959Y24-L961 HydrophobicContact CE1-CD1 4.12Å; Y24-L961 VanDerWaalsContact OH-CD1 3.25Å; Y24-L961 WeakPolarHBondContact OH-CD1 3.46Å; L957-L961 HydrophobicContact CD2-CD1 3.57Å; L957-L961 HydrophobicContact CD2-CG 4.26Å; L957-L961 WeakPolarHBondContact O-CG 3.3Å; A959-L961 PolarHBondContact O-N 3.09Å
962K50.6Low45.8Very low177 Ų177113 Ų11377%0.7768%0.682SS**THydrogen-bonded Turntrans-134.915.3-178.2-91.5-161.6166.6-156.60115.3V960V960-K962 VanDerWaalsContact C-N 3.25Å; V960-K962 PolarHBondContact O-N 2.98Å; V960-K962 VanDerWaalsContact O-N 3.15Å
963G44Very low44.6Very low69 Ų69121.3 Ų121.371%0.71172%0.718SS**  trans-95.3114.3163.800000110.1
964D38.9Very low44.4Very low161 Ų161122.3 Ų122.386%0.86172%0.72SS**  trans-78.3147.1-179.6-66.5-59.9000112.4
965I33.3Very low43.6Very low163 Ų163124.2 Ų124.284%0.83674%0.735SS**  trans-130.1134167.849.3170.1000110.1
966S34.8Very low42.9Very low111 Ų111127.3 Ų127.378%0.77674%0.744SS**  trans-164.5152.9179.8-79.60000110.9
967S35.8Very low42.7Very low116 Ų116130.8 Ų130.881%0.81176%0.755SS**  trans53.7108.7-172.748.10000114.2
968L32.9Very low42.3Very low158 Ų158132.4 Ų132.483%0.82777%0.768SS**  cis78.7103.821.5-117.1179.7000115.9
969S34.1Very low41.2Very low113 Ų113133.1 Ų133.179%0.7978%0.783SS**  trans88160.3147.877.80000122.3
970A36.5Very low40.1Very low85 Ų85137.3 Ų137.370%0.70280%0.796SS**  trans85.872.8164.500000120.8
971Q33Very low38.5Very low187 Ų187138.7 Ų138.787%0.87480%0.801SS**  55.6144.3121.5-71.2179.5-3200123.9
972S36.1Very low37.1Very low109 Ų109142.3 Ų142.376%0.76283%0.827SS**  trans57.9102.7155.858.60000118.9
973H35.8Very low35.9Very low259 Ų259139.2 Ų139.2100%1.19983%0.832SS**  -141.6094-137.9-54.4000112.6

Retrieved 973 of 973 residues in 1189.4 ms (Link to these results)

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