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Small ribosomal subunit protein eS19

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Required for pre-rRNA processing and maturation of 40S ribosomal subunits. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome (By similarity).

AlphaFold DB , UniProt , Accession P17074, Species RAT (Rattus norvegicus, Rat), Gene Rps19, Length 145 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
1M59.5Low87.2Confident176 Ų17675.1 Ų75.187%0.86743%0.431SS*.  0143.10-62.3-152.2-163.100107.7
2P78.9Confident87.8Confident112 Ų11280 Ų8073%0.72745%0.447SS*.  trans-52.1149.3169.3-2232.7000110.4V4P2-V4 PolarHBondContact O-N 3.3Å
3G80.2Confident88.3Confident74 Ų7479 Ų7976%0.76344%0.437SS*.  trans-57.2128173.500000109.9
4V90.1Very high88.8Confident36 Ų3673.4 Ų73.422%0.21841%0.405CS..  trans-106.2123.7178.1179.20000107.7P2 D8 V9 A135 A139P2-V4 PolarHBondContact O-N 3.3Å; V4-D8 HydrophobicContact CG1-CB 3.98Å; V4-V9 HydrophobicContact CG1-CG1 3.77Å; V4-A135 HydrophobicContact CG1-CB 4.43Å; V4-A139 HydrophobicContact CB-CB 4.4Å; V4-A139 HydrophobicContact CG1-CB 3.72Å; V4-A139 HydrophobicContact CG2-CB 4.07Å
5T93Very high89.3Confident47 Ų4769.7 Ų69.729%0.28839%0.386SS..  trans-100.8170.6175.970.20000111K7 D8T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.09Å; T5-K7 PolarHBondContact OG1-N 3.42Å; T5-D8 WeakPolarHBondContact CB-OD2 3.45Å; T5-D8 PolarHBondContact N-OD2 2.74Å; T5-D8 PolarHBondContact O-N 2.77Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å
6V93.3Very high89.7Confident0 Ų076.4 Ų76.40%040%0.403CS..G310 helixtrans-56.6-25.3174.4-177.70000112.6D8 V9 Q11 F14 R62 Y65 L131 D132 A135V6-D8 VanDerWaalsContact C-N 3.3Å; V6-D8 PolarHBondContact O-N 3.37Å; V6-V9 WeakPolarHBondContact O-CG2 3.33Å; V6-Q11 PolarHBondContact O-NE2 3.39Å; V6-F14 HydrophobicContact CB-CZ 4.39Å; V6-F14 HydrophobicContact CG1-CD1 3.97Å; V6-F14 HydrophobicContact CG1-CE1 3.66Å; V6-F14 HydrophobicContact CG1-CE2 4.36Å; V6-F14 HydrophobicContact CG1-CG 4.43Å; V6-F14 HydrophobicContact CG1-CZ 3.87Å; V6-F14 HydrophobicContact CG2-CE1 4.3Å; V6-F14 HydrophobicContact CG2-CE2 4.06Å; V6-F14 HydrophobicContact CG2-CZ 3.69Å; V6-R62 HydrophobicContact CG1-CG 4.31Å; V6-Y65 HydrophobicContact CB-CD1 3.85Å; V6-Y65 HydrophobicContact CB-CD2 4.48Å; V6-Y65 HydrophobicContact CB-CE1 3.69Å; V6-Y65 HydrophobicContact CB-CE2 4.3Å; V6-Y65 HydrophobicContact CB-CG 4.25Å; V6-Y65 HydrophobicContact CG1-CD1 4.3Å; V6-Y65 HydrophobicContact CG2-CD1 4.16Å; V6-Y65 HydrophobicContact CG2-CD2 3.88Å; V6-Y65 HydrophobicContact CG2-CE1 4.02Å; V6-Y65 HydrophobicContact CG2-CE2 3.68Å; V6-Y65 HydrophobicContact CG2-CG 4.09Å; V6-L131 HydrophobicContact CG2-CB 3.84Å; V6-D132 PolarHBondContact N-OD1 3.33Å; V6-A135 HydrophobicContact CG2-CB 4.4Å
7K92.8Very high90Very high142 Ų14273.9 Ų73.962%0.61740%0.397SS*.G310 helixtrans-75.5-18.7179.6-68.4-178.6178.9177.50113.4T5 L66T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.09Å; T5-K7 PolarHBondContact OG1-N 3.42Å; K7-L66 HydrophobicContact CD-CD2 4.48Å; K7-L66 HydrophobicContact CG-CD2 3.86Å
8D92.5Very high90.3Very high105 Ų10569.8 Ų69.856%0.56138%0.375SS*.G310 helixtrans-94.6-3.5-171.5-52.4-44.5000113.4V4 T5 V6V4-D8 HydrophobicContact CG1-CB 3.98Å; T5-D8 WeakPolarHBondContact CB-OD2 3.45Å; T5-D8 PolarHBondContact N-OD2 2.74Å; T5-D8 PolarHBondContact O-N 2.77Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å; V6-D8 VanDerWaalsContact C-N 3.3Å; V6-D8 PolarHBondContact O-N 3.37Å
9V92.7Very high90.6Very high14 Ų1466.6 Ų66.69%0.08536%0.358CS..SBendtrans-110.3162.1-175.9-66.70000112.7V4 V6 Q11 F14 A135 V138 A139V4-V9 HydrophobicContact CG1-CG1 3.77Å; V6-V9 WeakPolarHBondContact O-CG2 3.33Å; V9-Q11 PolarHBondContact O-N 3.04Å; V9-Q11 PolarHBondContact O-NE2 3.5Å; V9-F14 HydrophobicContact CG2-CB 3.87Å; V9-F14 HydrophobicContact CG2-CD2 3.93Å; V9-F14 HydrophobicContact CG2-CG 4.09Å; V9-A135 HydrophobicContact CG1-CB 4.1Å; V9-A135 WeakPolarHBondContact CG1-O 3.4Å; V9-A135 HydrophobicContact CG2-CB 4.12Å; V9-V138 HydrophobicContact CB-CG1 4.23Å; V9-V138 HydrophobicContact CG1-CB 4.38Å; V9-V138 HydrophobicContact CG1-CG1 4.36Å; V9-A139 HydrophobicContact CG1-CB 3.99Å
10N93Very high90.9Very high73 Ų7366.2 Ų66.239%0.3937%0.365SS..  trans-62.1121.3168.5-177-24.7000109.6Q12 E13 F14N10-Q12 VanDerWaalsContact C-N 3.3Å; N10-Q12 PolarHBondContact O-N 3.4Å; N10-Q12 PolarHBondContact OD1-N 2.9Å; N10-E13 HydrophobicContact CB-CB 4.16Å; N10-E13 HydrophobicContact CB-CG 4.19Å; N10-E13 WeakPolarHBondContact CB-OE2 3.43Å; N10-E13 PolarHBondContact ND2-OE1 3Å; N10-E13 PolarHBondContact O-N 2.71Å; N10-F14 WeakPolarHBondContact O-CB 3.33Å; N10-F14 PolarHBondContact O-N 2.99Å
11Q93.5Very high91Very high47 Ų4767.1 Ų67.122%0.2237%0.365CS..Hα-helixtrans-67.8-29.5-171.6-57.5-61-63.400112.9V6 V9 V15V6-Q11 PolarHBondContact O-NE2 3.39Å; V9-Q11 PolarHBondContact O-N 3.04Å; V9-Q11 PolarHBondContact O-NE2 3.5Å; Q11-V15 VanDerWaalsContact O-CG2 3.32Å; Q11-V15 WeakPolarHBondContact O-CG2 3.37Å; Q11-V15 PolarHBondContact O-N 3.35Å
12Q93.9Very high92.7Very high134 Ų13458.8 Ų58.863%0.62633%0.325SS*.Hα-helixtrans-75.6-44.9178.2-62.5-169.925.400111.2N10 F14 V15 R16N10-Q12 VanDerWaalsContact C-N 3.3Å; N10-Q12 PolarHBondContact O-N 3.4Å; N10-Q12 PolarHBondContact OD1-N 2.9Å; Q12-F14 VanDerWaalsContact C-N 3.33Å; Q12-V15 PolarHBondContact O-N 2.94Å; Q12-R16 WeakPolarHBondContact O-CG 3.46Å; Q12-R16 PolarHBondContact O-N 3.2Å; Q12-R16 VanDerWaalsContact O-N 3.14Å
13E94Very high93.4Very high67 Ų6758.3 Ų58.331%0.31331%0.311SS..Hα-helixtrans-63.8-41.2177-69.7163.6-158.600111.1N10 V15 R16 A17 V138 N142N10-E13 HydrophobicContact CB-CB 4.16Å; N10-E13 HydrophobicContact CB-CG 4.19Å; N10-E13 WeakPolarHBondContact CB-OE2 3.43Å; N10-E13 PolarHBondContact ND2-OE1 3Å; N10-E13 PolarHBondContact O-N 2.71Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3.18Å; E13-R16 PolarHBondContact O-N 2.72Å; E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 2.81Å; E13-V138 HydrophobicContact CB-CG1 4.12Å; E13-N142 PolarHBondContact OE2-ND2 3.17Å; E13-N142 PolarHBondContact OE2-OD1 3.23Å
14F95.9Very high94.1Very high0 Ų063.9 Ų63.90%031%0.314CS..Hα-helixtrans-56.6-46.3174.5179.5-99000112.5V6 V9 N10 Q12 R16 A17 L18 R62 L131 I134 A135V6-F14 HydrophobicContact CB-CZ 4.39Å; V6-F14 HydrophobicContact CG1-CD1 3.97Å; V6-F14 HydrophobicContact CG1-CE1 3.66Å; V6-F14 HydrophobicContact CG1-CE2 4.36Å; V6-F14 HydrophobicContact CG1-CG 4.43Å; V6-F14 HydrophobicContact CG1-CZ 3.87Å; V6-F14 HydrophobicContact CG2-CE1 4.3Å; V6-F14 HydrophobicContact CG2-CE2 4.06Å; V6-F14 HydrophobicContact CG2-CZ 3.69Å; V9-F14 HydrophobicContact CG2-CB 3.87Å; V9-F14 HydrophobicContact CG2-CD2 3.93Å; V9-F14 HydrophobicContact CG2-CG 4.09Å; N10-F14 WeakPolarHBondContact O-CB 3.33Å; N10-F14 PolarHBondContact O-N 2.99Å; Q12-F14 VanDerWaalsContact C-N 3.33Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.09Å; F14-A17 PolarHBondContact O-N 3.13Å; F14-L18 HydrophobicContact CE1-CD2 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.21Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.35Å; F14-L18 PolarHBondContact O-N 3.38Å; F14-R62 HydrophobicContact CD1-CG 4.32Å; F14-R62 HydrophobicContact CE1-CB 4.2Å; F14-R62 HydrophobicContact CE1-CG 4.31Å; F14-L131 HydrophobicContact CE1-CD2 4.2Å; F14-L131 WeakPolarHBondContact CE2-O 3.45Å; F14-L131 HydrophobicContact CZ-CB 4.13Å; F14-L131 HydrophobicContact CZ-CD2 3.75Å; F14-I134 HydrophobicContact CD2-CG2 4.28Å; F14-I134 HydrophobicContact CE2-CB 4.19Å; F14-I134 HydrophobicContact CE2-CG2 3.94Å; F14-A135 HydrophobicContact CD2-CB 4.15Å; F14-A135 HydrophobicContact CE2-CB 3.92Å
15V96.6Very high94.2Very high19 Ų1964.4 Ų64.412%0.11532%0.319CS..Hα-helixtrans-63.4-39.9178.4171.30000111.2Q11 Q12 E13 A19 T55 A58Q11-V15 VanDerWaalsContact O-CG2 3.32Å; Q11-V15 WeakPolarHBondContact O-CG2 3.37Å; Q11-V15 PolarHBondContact O-N 3.35Å; Q12-V15 PolarHBondContact O-N 2.94Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 3.18Å; V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.36Å; V15-A19 PolarHBondContact O-N 2.95Å; V15-T55 HydrophobicContact CG1-CG2 4.01Å; V15-A58 HydrophobicContact CG1-CB 4.1Å
16R95Very high94.1Very high176 Ų17665 Ų6566%0.66433%0.334SS*.Hα-helixtrans-64-46.5176-67.8176.2-176.1-177.82.1111.6Q12 E13 F14 A19 A20Q12-R16 WeakPolarHBondContact O-CG 3.46Å; Q12-R16 PolarHBondContact O-N 3.2Å; Q12-R16 VanDerWaalsContact O-N 3.14Å; E13-R16 PolarHBondContact O-N 2.72Å; F14-R16 VanDerWaalsContact C-N 3.33Å; F14-R16 PolarHBondContact O-N 3.09Å; R16-A19 PolarHBondContact O-N 3.43Å; R16-A20 PolarHBondContact O-N 3.48Å
17A95.4Very high94Very high35 Ų3572.3 Ų72.329%0.28937%0.366SS..Hα-helixtrans-63.7-43.9178.900000112E13 F14 A20 F21 I134 V138E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 2.81Å; F14-A17 PolarHBondContact O-N 3.13Å; A17-A20 PolarHBondContact O-N 2.91Å; A17-F21 PolarHBondContact O-N 3.47Å; A17-I134 HydrophobicContact CB-CG2 4.18Å; A17-V138 HydrophobicContact CB-CG2 3.5Å; A17-V138 VanDerWaalsContact CB-CG2 3.5Å
18L95.5Very high94Very high0 Ų065.9 Ų65.90%034%0.339CS..Hα-helixtrans-65.4-39.9176.717961.6000111.9F14 A20 F21 L22 A58 A61 L131 I134F14-L18 HydrophobicContact CE1-CD2 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.21Å; F14-L18 VanDerWaalsContact O-CB 3.27Å; F14-L18 WeakPolarHBondContact O-CB 3.35Å; F14-L18 PolarHBondContact O-N 3.38Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.21Å; L18-F21 PolarHBondContact O-N 2.91Å; L18-L22 HydrophobicContact CD1-CG 4.39Å; L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.98Å; L18-A58 HydrophobicContact CB-CB 3.9Å; L18-A58 HydrophobicContact CD2-CB 3.73Å; L18-A58 HydrophobicContact CG-CB 3.67Å; L18-A61 HydrophobicContact CD2-CB 4.34Å; L18-L131 HydrophobicContact CD1-CD2 3.74Å; L18-L131 HydrophobicContact CD2-CD2 3.31Å; L18-L131 HydrophobicContact CG-CD2 4.18Å; L18-I134 HydrophobicContact CB-CG2 4.45Å; L18-I134 HydrophobicContact CD1-CD1 3.43Å; L18-I134 VanDerWaalsContact CD1-CD1 3.43Å
19A96.1Very high94Very high8 Ų869.4 Ų69.47%0.06635%0.349CS..Hα-helixtrans-62-42.6174.800000111.5V15 R16 L22 K23 A58V15-A19 VanDerWaalsContact O-CB 3.28Å; V15-A19 WeakPolarHBondContact O-CB 3.36Å; V15-A19 PolarHBondContact O-N 2.95Å; R16-A19 PolarHBondContact O-N 3.43Å; A19-L22 PolarHBondContact O-N 3.33Å; A19-K23 WeakPolarHBondContact O-CB 3.4Å; A19-K23 PolarHBondContact O-N 3.47Å; A19-A58 HydrophobicContact CB-CB 4.05Å
20A95.2Very high94Very high59 Ų5971.4 Ų71.449%0.48836%0.361SS..Hα-helixtrans-62.8-41.3175.200000112.1R16 A17 L18 K23 K24R16-A20 PolarHBondContact O-N 3.48Å; A17-A20 PolarHBondContact O-N 2.91Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.21Å; A20-K23 PolarHBondContact O-N 3.4Å; A20-K24 WeakPolarHBondContact O-CB 3.45Å; A20-K24 PolarHBondContact O-N 2.99Å
21F94Very high94.1Very high85 Ų8568.8 Ų68.837%0.37335%0.348SS..Hα-helixtrans-61.8-47.1174.7175.3-97.7000112.2A17 L18 K23 K24 S25 I134A17-F21 PolarHBondContact O-N 3.47Å; L18-F21 PolarHBondContact O-N 2.91Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.34Å; F21-K24 PolarHBondContact O-N 2.94Å; F21-S25 PolarHBondContact O-N 3.18Å; F21-I134 HydrophobicContact CB-CD1 3.92Å; F21-I134 HydrophobicContact CD1-CD1 3.59Å; F21-I134 HydrophobicContact CD2-CD1 4.27Å; F21-I134 HydrophobicContact CE1-CD1 4.14Å; F21-I134 HydrophobicContact CG-CD1 3.65Å; F21-I134 HydrophobicContact CG-CG1 4.47Å
22L94.8Very high94.2Very high2 Ų275.4 Ų75.41%0.0138%0.379CS..Hα-helixtrans-62.2-41177.9-71.6171.4000111.8L18 A19 S25 Y54 A57 A58 L110 M112L18-L22 HydrophobicContact CD1-CG 4.39Å; L18-L22 HydrophobicContact CG-CD1 4.27Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 2.98Å; A19-L22 PolarHBondContact O-N 3.33Å; L22-S25 PolarHBondContact O-N 3.16Å; L22-Y54 HydrophobicContact CB-CD1 4.11Å; L22-A57 HydrophobicContact CD1-CB 3.99Å; L22-A58 HydrophobicContact CD1-CB 4.29Å; L22-L110 HydrophobicContact CD2-CD1 3.83Å; L22-M112 HydrophobicContact CD2-SD 4.04Å
23K94.7Very high94.2Very high102 Ų10273.3 Ų73.344%0.44337%0.366SS..Hα-helixtrans-64-46.8175-175.5175.4176.6175.90111.4A19 A20 F21 S25 G26 N51 Y54A19-K23 WeakPolarHBondContact O-CB 3.4Å; A19-K23 PolarHBondContact O-N 3.47Å; A20-K23 PolarHBondContact O-N 3.4Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.34Å; K23-S25 VanDerWaalsContact C-N 3.25Å; K23-S25 PolarHBondContact O-N 3.15Å; K23-G26 PolarHBondContact O-N 3.33Å; K23-G26 VanDerWaalsContact O-N 3.15Å; K23-N51 VanDerWaalsContact CE-OD1 3.25Å; K23-N51 WeakPolarHBondContact CE-OD1 3.27Å; K23-N51 VanDerWaalsContact NZ-CG 3.32Å; K23-N51 PolarHBondContact NZ-ND2 2.96Å; K23-N51 PolarHBondContact NZ-OD1 3.48Å; K23-Y54 HydrophobicContact CB-CD1 3.96Å; K23-Y54 HydrophobicContact CB-CD2 4.25Å; K23-Y54 HydrophobicContact CB-CE1 4.08Å; K23-Y54 HydrophobicContact CB-CE2 4.37Å; K23-Y54 HydrophobicContact CB-CG 4.04Å; K23-Y54 HydrophobicContact CD-CD2 4.48Å; K23-Y54 HydrophobicContact CD-CE2 4.46Å; K23-Y54 HydrophobicContact CG-CD2 4.35Å; K23-Y54 HydrophobicContact CG-CE1 4.47Å; K23-Y54 HydrophobicContact CG-CE2 4.12Å
24K94.6Very high94.2Very high191 Ų19171.7 Ų71.783%0.8336%0.36SS*.Hα-helixtrans-62-32.5178.2-173.5176.9-178.6177.70112.6A20 F21 G26A20-K24 WeakPolarHBondContact O-CB 3.45Å; A20-K24 PolarHBondContact O-N 2.99Å; F21-K24 PolarHBondContact O-N 2.94Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.19Å
25S91.1Very high94.1Very high46 Ų4677.5 Ų77.532%0.32239%0.391SS..Hα-helixtrans-64.5-32.3177.5-170.80000112.5F21 L22 K23 K27F21-S25 PolarHBondContact O-N 3.18Å; L22-S25 PolarHBondContact O-N 3.16Å; K23-S25 VanDerWaalsContact C-N 3.25Å; K23-S25 PolarHBondContact O-N 3.15Å; S25-K27 WeakPolarHBondContact O-CG 3.4Å; S25-K27 PolarHBondContact O-N 2.84Å
26G91.2Very high94Very high59 Ų5981.7 Ų81.761%0.60842%0.417SS*.  trans66.2-0.2-179.600000115.2K23 K24K23-G26 PolarHBondContact O-N 3.33Å; K23-G26 VanDerWaalsContact O-N 3.15Å; K24-G26 VanDerWaalsContact C-N 3.28Å; K24-G26 PolarHBondContact O-N 3.19Å
27K92Very high93.9Very high155 Ų15575.1 Ų75.167%0.67440%0.396SS*.  trans-90.1-12.2-175.9-65.6176.5-171.1-1770113.7S25 K29 L110S25-K27 WeakPolarHBondContact O-CG 3.4Å; S25-K27 PolarHBondContact O-N 2.84Å; K27-K29 PolarHBondContact O-N 3.21Å; K27-L110 HydrophobicContact CB-CD2 3.41Å; K27-L110 VanDerWaalsContact CB-CD2 3.41Å
28L92.7Very high93.9Very high7 Ų778.4 Ų78.44%0.03740%0.404CS..SBendtrans-73.3115.3-179.6-169.276.9000109.1V30 F53 Y54 A57 A106 L110L28-V30 PolarHBondContact O-N 3.17Å; L28-F53 HydrophobicContact CD2-CD1 3.78Å; L28-F53 HydrophobicContact CD2-CE1 3.81Å; L28-F53 HydrophobicContact CG-CE1 4.16Å; L28-Y54 HydrophobicContact CB-CE1 4.08Å; L28-Y54 HydrophobicContact CD2-CD1 3.59Å; L28-Y54 HydrophobicContact CD2-CE1 3.83Å; L28-Y54 HydrophobicContact CD2-CG 4.49Å; L28-A57 HydrophobicContact CD2-CB 3.96Å; L28-A106 HydrophobicContact CD1-CB 3.68Å; L28-A106 HydrophobicContact CG-CB 4.2Å; L28-L110 HydrophobicContact CB-CD1 4.19Å; L28-L110 HydrophobicContact CD1-CD1 3.46Å; L28-L110 VanDerWaalsContact CD1-CD1 3.46Å; L28-L110 HydrophobicContact CD1-CG 4.2Å; L28-L110 HydrophobicContact CG-CD1 4.44Å
29K92Very high94Very high179 Ų17979.7 Ų79.778%0.77841%0.411SS*.  trans-68.3103.3176.8-67.2-173.5178-175.70110.4K27K27-K29 PolarHBondContact O-N 3.21Å
30V94Very high94Very high55 Ų5579.5 Ų79.533%0.33341%0.409SS..  trans-81.9128.7174.8-175.30000108.9L28 V34 F53 Y54L28-V30 PolarHBondContact O-N 3.17Å; V30-V34 HydrophobicContact CG1-CB 3.71Å; V30-V34 HydrophobicContact CG1-CG1 3.86Å; V30-V34 HydrophobicContact CG1-CG2 3.74Å; V30-F53 HydrophobicContact CB-CD1 4.46Å; V30-F53 HydrophobicContact CG1-CB 4.48Å; V30-F53 HydrophobicContact CG1-CD1 4.29Å; V30-F53 HydrophobicContact CG1-CG 4.34Å; V30-F53 HydrophobicContact CG2-CD1 4.05Å; V30-Y54 HydrophobicContact CG2-CE1 4.36Å; V30-Y54 HydrophobicContact CG2-CE2 4.31Å
31P94.7Very high94Very high19 Ų1983.4 Ų83.412%0.12342%0.415CS..  trans-63.9148.3175.2-20.732.3000112.1W33 V34 F53 R102P31-W33 HydrophobicContact CB-CD2 3.97Å; P31-W33 HydrophobicContact CB-CG 4.31Å; P31-W33 HydrophobicContact CB-CZ2 3.91Å; P31-W33 PolarHBondContact O-N 3.36Å; P31-V34 WeakPolarHBondContact O-CB 3.36Å; P31-V34 PolarHBondContact O-N 3.19Å; P31-F53 VanDerWaalsContact CD-CE2 3.46Å; P31-F53 VanDerWaalsContact CD-CZ 3.42Å; P31-F53 HydrophobicContact CG-CE2 3.8Å; P31-F53 HydrophobicContact CG-CZ 3.98Å; P31-R102 HydrophobicContact CG-CB 3.86Å; P31-R102 HydrophobicContact CG-CG 4.07Å
32E95Very high94.1Very high186 Ų18680.3 Ų80.387%0.86940%0.402SS*.THydrogen-bonded Turntrans-58.4-33.2-179.4-67.4165.6-170.300113.2V34E32-V34 PolarHBondContact O-N 3.27Å
33W94.7Very high94.1Very high90 Ų9085 Ų8534%0.34142%0.422SS..THydrogen-bonded Turntrans-82.818.8-178.256.869.7000114.7P31 D35 T36 V37 R102P31-W33 HydrophobicContact CB-CD2 3.97Å; P31-W33 HydrophobicContact CB-CG 4.31Å; P31-W33 HydrophobicContact CB-CZ2 3.91Å; P31-W33 PolarHBondContact O-N 3.36Å; W33-D35 PolarHBondContact O-N 2.95Å; W33-T36 PolarHBondContact O-N 2.98Å; W33-T36 PolarHBondContact O-OG1 3.43Å; W33-V37 HydrophobicContact CB-CG1 4.09Å; W33-V37 HydrophobicContact CG-CG1 4.2Å; W33-V37 WeakPolarHBondContact O-CG1 3.25Å; W33-V37 WeakPolarHBondContact O-CG2 3.35Å; W33-R102 HydrophobicContact CZ2-CG 3.78Å
34V94Very high94.1Very high33 Ų3387.8 Ų87.820%0.244%0.437CS..THydrogen-bonded Turntrans-61.5-29.9-171.3660000113.6V30 P31 E32 W52 F53V30-V34 HydrophobicContact CG1-CB 3.71Å; V30-V34 HydrophobicContact CG1-CG1 3.86Å; V30-V34 HydrophobicContact CG1-CG2 3.74Å; P31-V34 WeakPolarHBondContact O-CB 3.36Å; P31-V34 PolarHBondContact O-N 3.19Å; E32-V34 PolarHBondContact O-N 3.27Å; V34-W52 HydrophobicContact CB-CZ2 4.48Å; V34-W52 HydrophobicContact CG2-CZ2 3.71Å; V34-W52 WeakPolarHBondContact O-CZ2 3.46Å; V34-W52 PolarHBondContact O-NE1 3.19Å; V34-F53 HydrophobicContact CG2-CB 3.93Å
35D92.8Very high94.1Very high122 Ų12284.2 Ų84.265%0.65243%0.426SS*.THydrogen-bonded Turntrans-93.4-20.7-176.959.7-20.8000113.7W33W33-D35 PolarHBondContact O-N 2.95Å
36T93.4Very high94.3Very high107 Ų10784.3 Ų84.366%0.65643%0.43SS*.THydrogen-bonded Turntrans-91.6-16.7-175.655.60000114.4W33W33-T36 PolarHBondContact O-N 2.98Å; W33-T36 PolarHBondContact O-OG1 3.43Å
37V94.5Very high94.5Very high38 Ų3883.5 Ų83.523%0.2341%0.414CS..  trans-101.9144.3-167.5-60.90000114.2W33 W52W33-V37 HydrophobicContact CB-CG1 4.09Å; W33-V37 HydrophobicContact CG-CG1 4.2Å; W33-V37 WeakPolarHBondContact O-CG1 3.25Å; W33-V37 WeakPolarHBondContact O-CG2 3.35Å; V37-W52 HydrophobicContact CG2-CH2 4.34Å; V37-W52 HydrophobicContact CG2-CZ2 3.9Å
38K95.2Very high94.7Very high104 Ų10486.3 Ų86.345%0.45242%0.422SS..  trans-84.3148.4157.155.8175.2174.9-177.80111.6A40 K43K38-A40 VanDerWaalsContact C-N 3.29Å; K38-A40 PolarHBondContact O-N 3.2Å; K38-K43 WeakPolarHBondContact CD-O 3.49Å; K38-K43 PolarHBondContact NZ-O 2.93Å
39L96.3Very high94.8Very high26 Ų2689.4 Ų89.414%0.13644%0.438CS..SBendtrans-77.4-12.3-172.4-54.8-169.7000114.7P47 W52 S96L39-P47 HydrophobicContact CD1-CG 3.52Å; L39-P47 HydrophobicContact CD2-CG 3.84Å; L39-P47 HydrophobicContact CG-CG 3.53Å; L39-W52 HydrophobicContact CD1-CD2 4.43Å; L39-W52 HydrophobicContact CD1-CE3 4.01Å; L39-W52 HydrophobicContact CD1-CZ3 4.49Å; L39-W52 HydrophobicContact CD2-CD2 3.79Å; L39-W52 HydrophobicContact CD2-CE3 3.47Å; L39-W52 VanDerWaalsContact CD2-CE3 3.47Å; L39-W52 HydrophobicContact CD2-CH2 3.47Å; L39-W52 VanDerWaalsContact CD2-CH2 3.47Å; L39-W52 HydrophobicContact CD2-CZ2 3.74Å; L39-W52 HydrophobicContact CD2-CZ3 3.34Å; L39-W52 HydrophobicContact CG-CE3 4.41Å; L39-S96 WeakPolarHBondContact O-CB 3.37Å; L39-S96 PolarHBondContact O-N 2.94Å
40A96.6Very high94.8Very high5 Ų589.1 Ų89.14%0.04144%0.44CS..SBendtrans-165161.5177.700000111.2K38 H42 K43K38-A40 VanDerWaalsContact C-N 3.29Å; K38-A40 PolarHBondContact O-N 3.2Å; A40-H42 WeakPolarHBondContact CB-CE1 3.33Å; A40-H42 WeakPolarHBondContact CB-ND1 3.39Å; A40-H42 PolarHBondContact O-N 3.39Å; A40-K43 HydrophobicContact CB-CG 4.4Å; A40-K43 PolarHBondContact O-N 3.39Å; A40-K43 VanDerWaalsContact O-N 3.14Å
41K95.5Very high94.7Very high140 Ų14088.6 Ų88.661%0.60944%0.435SS*.THydrogen-bonded Turntrans-62.9-25174.367.2174.6-175.2173.30113.8K43 S93K41-K43 VanDerWaalsContact C-N 3.28Å; K41-S93 WeakPolarHBondContact CE-OG 3.4Å; K41-S93 WeakPolarHBondContact CG-OG 3.34Å
42H95.5Very high94.8Very high20 Ų2088.6 Ų88.69%0.09343%0.433CS..THydrogen-bonded Turntrans-84.3-0.7178.971.5-100.3000114A40 G81 Q83 S93A40-H42 WeakPolarHBondContact CB-CE1 3.33Å; A40-H42 WeakPolarHBondContact CB-ND1 3.39Å; A40-H42 PolarHBondContact O-N 3.39Å; H42-G81 PolarHBondContact CE1-N 3.3Å; H42-Q83 HydrophobicContact CB-CB 3.57Å; H42-Q83 HydrophobicContact CB-CG 3.94Å; H42-S93 PolarHBondContact ND1-O 3.23Å
43K96.2Very high94.9Very high101 Ų10180 Ų8044%0.43939%0.392SS..  trans-100.1139.9170.6-65.4-67.3-171.4-87.80107.8K38 A40 K41K38-K43 WeakPolarHBondContact CD-O 3.49Å; K38-K43 PolarHBondContact NZ-O 2.93Å; A40-K43 HydrophobicContact CB-CG 4.4Å; A40-K43 PolarHBondContact O-N 3.39Å; A40-K43 VanDerWaalsContact O-N 3.14Å; K41-K43 VanDerWaalsContact C-N 3.28Å
44E93.8Very high95Very high160 Ų16077.6 Ų77.675%0.74838%0.383SS*.SBendtrans-91.7-41.7177.1-69169.9-163.600110
45L95.4Very high95.2Very high117 Ų11778.5 Ų78.561%0.61339%0.389SS*.SBendtrans-104.9158.8-179-55.3178.7000112.6
46A94.9Very high95.4Very high48 Ų4874.6 Ų74.640%0.39737%0.366SS..  trans-69.2164168.200000111.1
47P96.2Very high95.5Very high41 Ų4169.5 Ų69.527%0.26633%0.334SS..  trans-59.7142.4173.5-2437.7000112.1L39 W52L39-P47 HydrophobicContact CD1-CG 3.52Å; L39-P47 HydrophobicContact CD2-CG 3.84Å; L39-P47 HydrophobicContact CG-CG 3.53Å; P47-W52 HydrophobicContact CB-CB 3.65Å; P47-W52 HydrophobicContact CB-CG 3.75Å; P47-W52 HydrophobicContact CG-CB 3.93Å; P47-W52 HydrophobicContact CG-CD2 4.02Å; P47-W52 HydrophobicContact CG-CG 3.61Å
48Y95.5Very high95.6Very high214 Ų21467.7 Ų67.784%0.83932%0.323SS*.SBendtrans-72.8-31.2174.9-59-37.6000113.3
49D93.5Very high95.7Very high73 Ų7364.3 Ų64.339%0.3931%0.312SS..SBendtrans-84.7118.2175.3175.322.8000109.9N51 W52D49-N51 PolarHBondContact O-N 3.07Å; D49-N51 VanDerWaalsContact O-N 3.15Å; D49-N51 VanDerWaalsContact OD1-CB 3.32Å; D49-N51 WeakPolarHBondContact OD1-CB 3.32Å; D49-N51 PolarHBondContact OD1-N 2.94Å; D49-N51 PolarHBondContact OD1-ND2 3.46Å; D49-N51 VanDerWaalsContact OD1-ND2 3.13Å; D49-W52 VanDerWaalsContact O-CB 3.29Å; D49-W52 WeakPolarHBondContact O-CB 3.28Å; D49-W52 PolarHBondContact O-N 3.19Å
50E92.7Very high95.7Very high172 Ų17263.2 Ų63.280%0.80431%0.307SS*.THydrogen-bonded Turntrans-57.2-26.9174-62.9174.8-178.400112W52E50-W52 VanDerWaalsContact C-N 3.25Å; E50-W52 PolarHBondContact O-N 3.22Å
51N93.3Very high95.7Very high45 Ų4563 Ų6324%0.24131%0.305CS..THydrogen-bonded Turntrans-88.916.2-179.6-52.8-74.8000113.2K23 D49 F53 Y54 T55K23-N51 VanDerWaalsContact CE-OD1 3.25Å; K23-N51 WeakPolarHBondContact CE-OD1 3.27Å; K23-N51 VanDerWaalsContact NZ-CG 3.32Å; K23-N51 PolarHBondContact NZ-ND2 2.96Å; K23-N51 PolarHBondContact NZ-OD1 3.48Å; D49-N51 PolarHBondContact O-N 3.07Å; D49-N51 VanDerWaalsContact O-N 3.15Å; D49-N51 VanDerWaalsContact OD1-CB 3.32Å; D49-N51 WeakPolarHBondContact OD1-CB 3.32Å; D49-N51 PolarHBondContact OD1-N 2.94Å; D49-N51 PolarHBondContact OD1-ND2 3.46Å; D49-N51 VanDerWaalsContact OD1-ND2 3.13Å; N51-F53 PolarHBondContact O-N 3.14Å; N51-Y54 HydrophobicContact CB-CD2 4.03Å; N51-Y54 WeakPolarHBondContact O-CB 3.46Å; N51-Y54 PolarHBondContact O-N 3.3Å; N51-T55 PolarHBondContact O-N 3.32Å
52W96.5Very high95.7Very high19 Ų1959.1 Ų59.17%0.07229%0.287CS..Hα-helixtrans-54.4-30.2-17769.7-95.9000113.2V34 V37 L39 P47 D49 E50 T55 R56 V99V34-W52 HydrophobicContact CB-CZ2 4.48Å; V34-W52 HydrophobicContact CG2-CZ2 3.71Å; V34-W52 WeakPolarHBondContact O-CZ2 3.46Å; V34-W52 PolarHBondContact O-NE1 3.19Å; V37-W52 HydrophobicContact CG2-CH2 4.34Å; V37-W52 HydrophobicContact CG2-CZ2 3.9Å; L39-W52 HydrophobicContact CD1-CD2 4.43Å; L39-W52 HydrophobicContact CD1-CE3 4.01Å; L39-W52 HydrophobicContact CD1-CZ3 4.49Å; L39-W52 HydrophobicContact CD2-CD2 3.79Å; L39-W52 HydrophobicContact CD2-CE3 3.47Å; L39-W52 VanDerWaalsContact CD2-CE3 3.47Å; L39-W52 HydrophobicContact CD2-CH2 3.47Å; L39-W52 VanDerWaalsContact CD2-CH2 3.47Å; L39-W52 HydrophobicContact CD2-CZ2 3.74Å; L39-W52 HydrophobicContact CD2-CZ3 3.34Å; L39-W52 HydrophobicContact CG-CE3 4.41Å; P47-W52 HydrophobicContact CB-CB 3.65Å; P47-W52 HydrophobicContact CB-CG 3.75Å; P47-W52 HydrophobicContact CG-CB 3.93Å; P47-W52 HydrophobicContact CG-CD2 4.02Å; P47-W52 HydrophobicContact CG-CG 3.61Å; D49-W52 VanDerWaalsContact O-CB 3.29Å; D49-W52 WeakPolarHBondContact O-CB 3.28Å; D49-W52 PolarHBondContact O-N 3.19Å; E50-W52 VanDerWaalsContact C-N 3.25Å; E50-W52 PolarHBondContact O-N 3.22Å; W52-T55 PolarHBondContact O-N 2.88Å; W52-R56 HydrophobicContact CE3-CB 4.27Å; W52-R56 HydrophobicContact CZ3-CB 4.48Å; W52-R56 VanDerWaalsContact O-CB 3.26Å; W52-R56 WeakPolarHBondContact O-CB 3.45Å; W52-R56 PolarHBondContact O-N 3.44Å; W52-V99 HydrophobicContact CH2-CG1 3.91Å; W52-V99 HydrophobicContact CH2-CG2 4.1Å; W52-V99 HydrophobicContact CZ3-CG1 3.62Å
53F96.8Very high95.7Very high4 Ų460 Ų602%0.01829%0.291CS..Hα-helixtrans-65.1-39.8179.8-168.2-96.9000111.6L28 V30 P31 V34 N51 R56 A57 R102 V103 A106L28-F53 HydrophobicContact CD2-CD1 3.78Å; L28-F53 HydrophobicContact CD2-CE1 3.81Å; L28-F53 HydrophobicContact CG-CE1 4.16Å; V30-F53 HydrophobicContact CB-CD1 4.46Å; V30-F53 HydrophobicContact CG1-CB 4.48Å; V30-F53 HydrophobicContact CG1-CD1 4.29Å; V30-F53 HydrophobicContact CG1-CG 4.34Å; V30-F53 HydrophobicContact CG2-CD1 4.05Å; P31-F53 VanDerWaalsContact CD-CE2 3.46Å; P31-F53 VanDerWaalsContact CD-CZ 3.42Å; P31-F53 HydrophobicContact CG-CE2 3.8Å; P31-F53 HydrophobicContact CG-CZ 3.98Å; V34-F53 HydrophobicContact CG2-CB 3.93Å; N51-F53 PolarHBondContact O-N 3.14Å; F53-R56 PolarHBondContact O-N 3.17Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 3.4Å; F53-R102 HydrophobicContact CE2-CB 4.5Å; F53-V103 HydrophobicContact CD2-CG2 4.1Å; F53-V103 HydrophobicContact CE2-CG2 3.51Å; F53-V103 HydrophobicContact CZ-CG2 3.82Å; F53-A106 HydrophobicContact CE1-CB 4.26Å; F53-A106 HydrophobicContact CZ-CB 4.3Å
54Y96.8Very high95.7Very high40 Ų4055.5 Ų55.516%0.15727%0.271CS..Hα-helixtrans-67.2-44.8175.1-61.4-78.4000111.2L22 K23 L28 V30 N51 R56 A57 A58L22-Y54 HydrophobicContact CB-CD1 4.11Å; K23-Y54 HydrophobicContact CB-CD1 3.96Å; K23-Y54 HydrophobicContact CB-CD2 4.25Å; K23-Y54 HydrophobicContact CB-CE1 4.08Å; K23-Y54 HydrophobicContact CB-CE2 4.37Å; K23-Y54 HydrophobicContact CB-CG 4.04Å; K23-Y54 HydrophobicContact CD-CD2 4.48Å; K23-Y54 HydrophobicContact CD-CE2 4.46Å; K23-Y54 HydrophobicContact CG-CD2 4.35Å; K23-Y54 HydrophobicContact CG-CE1 4.47Å; K23-Y54 HydrophobicContact CG-CE2 4.12Å; L28-Y54 HydrophobicContact CB-CE1 4.08Å; L28-Y54 HydrophobicContact CD2-CD1 3.59Å; L28-Y54 HydrophobicContact CD2-CE1 3.83Å; L28-Y54 HydrophobicContact CD2-CG 4.49Å; V30-Y54 HydrophobicContact CG2-CE1 4.36Å; V30-Y54 HydrophobicContact CG2-CE2 4.31Å; N51-Y54 HydrophobicContact CB-CD2 4.03Å; N51-Y54 WeakPolarHBondContact O-CB 3.46Å; N51-Y54 PolarHBondContact O-N 3.3Å; Y54-R56 VanDerWaalsContact C-N 3.27Å; Y54-R56 PolarHBondContact O-N 2.94Å; Y54-A57 PolarHBondContact O-N 3.35Å; Y54-A58 WeakPolarHBondContact O-CB 3.05Å; Y54-A58 PolarHBondContact O-N 2.87Å
55T97.1Very high95.8Very high53 Ų5350.3 Ų50.333%0.32525%0.246SC..Hα-helixtrans-61.2-38.2175.3-55.20000111.4V15 N51 W52 S59V15-T55 HydrophobicContact CG1-CG2 4.01Å; N51-T55 PolarHBondContact O-N 3.32Å; W52-T55 PolarHBondContact O-N 2.88Å; T55-S59 WeakPolarHBondContact O-CB 3.32Å; T55-S59 PolarHBondContact O-N 3.3Å
56R96.8Very high95.7Very high40 Ų4048.2 Ų48.215%0.15123%0.234CC..Hα-helixtrans-68.8-39.4175.5-177.358.461.685.6-4.8112.3W52 F53 Y54 T60 Y79 V99 V103W52-R56 HydrophobicContact CE3-CB 4.27Å; W52-R56 HydrophobicContact CZ3-CB 4.48Å; W52-R56 VanDerWaalsContact O-CB 3.26Å; W52-R56 WeakPolarHBondContact O-CB 3.45Å; W52-R56 PolarHBondContact O-N 3.44Å; F53-R56 PolarHBondContact O-N 3.17Å; Y54-R56 VanDerWaalsContact C-N 3.27Å; Y54-R56 PolarHBondContact O-N 2.94Å; R56-T60 WeakPolarHBondContact O-CB 3.35Å; R56-T60 PolarHBondContact O-N 3.38Å; R56-T60 PolarHBondContact O-OG1 3.28Å; R56-Y79 VanDerWaalsContact CD-CZ 3.5Å; R56-V99 HydrophobicContact CG-CG1 4.41Å; R56-V103 HydrophobicContact CB-CG2 4.47Å; R56-V103 HydrophobicContact CG-CG2 3.82Å
57A96.9Very high95.6Very high0 Ų053.4 Ų53.40%024%0.244CC..Hα-helixtrans-64.1-46.5174.500000111.3L22 L28 F53 Y54 S59 T60 A61 V103 L107L22-A57 HydrophobicContact CD1-CB 3.99Å; L28-A57 HydrophobicContact CD2-CB 3.96Å; F53-A57 WeakPolarHBondContact O-CB 3.4Å; F53-A57 PolarHBondContact O-N 3.4Å; Y54-A57 PolarHBondContact O-N 3.35Å; A57-S59 PolarHBondContact O-N 2.95Å; A57-T60 PolarHBondContact O-N 2.8Å; A57-A61 PolarHBondContact O-N 2.71Å; A57-V103 HydrophobicContact CB-CG1 4.08Å; A57-L107 HydrophobicContact CB-CD2 4.32Å
58A96.9Very high95.3Very high0 Ų053.4 Ų53.40%025%0.251CS..Hα-helixtrans-58.3-48.3175.100000112.3V15 L18 A19 L22 Y54 T60 A61 R62V15-A58 HydrophobicContact CG1-CB 4.1Å; L18-A58 HydrophobicContact CB-CB 3.9Å; L18-A58 HydrophobicContact CD2-CB 3.73Å; L18-A58 HydrophobicContact CG-CB 3.67Å; A19-A58 HydrophobicContact CB-CB 4.05Å; L22-A58 HydrophobicContact CD1-CB 4.29Å; Y54-A58 WeakPolarHBondContact O-CB 3.05Å; Y54-A58 PolarHBondContact O-N 2.87Å; A58-T60 VanDerWaalsContact C-N 3.28Å; A58-T60 PolarHBondContact O-N 3.22Å; A58-A61 PolarHBondContact O-N 3Å; A58-R62 WeakPolarHBondContact O-CB 3.44Å; A58-R62 PolarHBondContact O-N 2.93Å
59S96.7Very high95.1Very high32 Ų3245 Ų4522%0.22423%0.229CC..Hα-helixtrans-60.7-37.8176.6-172.30000112.3T55 A57 H63 Y79T55-S59 WeakPolarHBondContact O-CB 3.32Å; T55-S59 PolarHBondContact O-N 3.3Å; A57-S59 PolarHBondContact O-N 2.95Å; S59-H63 PolarHBondContact O-N 2.94Å; S59-Y79 VanDerWaalsContact C-OH 3.32Å; S59-Y79 WeakPolarHBondContact CB-OH 3.32Å; S59-Y79 PolarHBondContact OG-OH 3.17Å
60T96.7Very high95Very high3 Ų341.5 Ų41.52%0.01821%0.21CC..Hα-helixtrans-70.2-45.2178.8-59.40000111.7R56 A57 A58 R62 H63 L64 M75 Y79 V103 L104 L107R56-T60 WeakPolarHBondContact O-CB 3.35Å; R56-T60 PolarHBondContact O-N 3.38Å; R56-T60 PolarHBondContact O-OG1 3.28Å; A57-T60 PolarHBondContact O-N 2.8Å; A58-T60 VanDerWaalsContact C-N 3.28Å; A58-T60 PolarHBondContact O-N 3.22Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.85Å; T60-H63 PolarHBondContact O-N 3Å; T60-L64 HydrophobicContact CG2-CD1 4.39Å; T60-L64 WeakPolarHBondContact O-CG 3.47Å; T60-L64 PolarHBondContact O-N 3Å; T60-M75 HydrophobicContact CG2-CE 3.61Å; T60-M75 HydrophobicContact CG2-SD 4.31Å; T60-Y79 WeakPolarHBondContact CA-OH 3.37Å; T60-Y79 PolarHBondContact N-OH 3.5Å; T60-Y79 VanDerWaalsContact N-OH 3.11Å; T60-Y79 PolarHBondContact OG1-OH 2.72Å; T60-V103 HydrophobicContact CG2-CG1 4.12Å; T60-L104 HydrophobicContact CG2-CD2 3.79Å; T60-L104 HydrophobicContact CG2-CG 4.37Å; T60-L107 HydrophobicContact CG2-CD1 4.09Å
61A95.8Very high95.1Very high1 Ų134.1 Ų34.11%0.00818%0.181CC..Hα-helixtrans-61.3-43.3175.400000111.5L18 A57 A58 H63 L64 Y65 L107 L131L18-A61 HydrophobicContact CD2-CB 4.34Å; A57-A61 PolarHBondContact O-N 2.71Å; A58-A61 PolarHBondContact O-N 3Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.22Å; A61-L64 PolarHBondContact O-N 3.35Å; A61-Y65 PolarHBondContact O-N 3.09Å; A61-L107 HydrophobicContact CB-CD1 4.23Å; A61-L107 HydrophobicContact CB-CD2 4.49Å; A61-L131 HydrophobicContact CB-CD2 4.33Å
62R96.1Very high95.2Very high58 Ų5833 Ų3322%0.21918%0.176CC..Hα-helixtrans-59-43172.9179.4-174.1164.8-92.5-7.8112.1V6 F14 A58 T60 L64 Y65 L66V6-R62 HydrophobicContact CG1-CG 4.31Å; F14-R62 HydrophobicContact CD1-CG 4.32Å; F14-R62 HydrophobicContact CE1-CB 4.2Å; F14-R62 HydrophobicContact CE1-CG 4.31Å; A58-R62 WeakPolarHBondContact O-CB 3.44Å; A58-R62 PolarHBondContact O-N 2.93Å; T60-R62 VanDerWaalsContact C-N 3.34Å; T60-R62 PolarHBondContact O-N 2.85Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-Y65 WeakPolarHBondContact O-CB 3.39Å; R62-Y65 PolarHBondContact O-N 2.94Å; R62-L66 PolarHBondContact O-N 3.26Å
63H96Very high95.1Very high40 Ų4033.9 Ų33.919%0.18519%0.191CC..Hα-helixtrans-63.3-43.4178-170.278.9000111.6S59 T60 A61 Y65 L66 R67 M75 I78S59-H63 PolarHBondContact O-N 2.94Å; T60-H63 PolarHBondContact O-N 3Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.22Å; H63-Y65 PolarHBondContact O-N 2.99Å; H63-L66 PolarHBondContact O-N 3.49Å; H63-R67 PolarHBondContact O-N 3.36Å; H63-M75 HydrophobicContact CB-CE 4.35Å; H63-I78 VanDerWaalsContact CD2-CD1 3.45Å; H63-I78 WeakPolarHBondContact CD2-CD1 3.41Å; H63-I78 VanDerWaalsContact CE1-CD1 3.4Å; H63-I78 WeakPolarHBondContact CE1-CD1 3.5Å; H63-I78 WeakPolarHBondContact NE2-CD1 3.33Å
64L95.2Very high95Very high5 Ų535.5 Ų35.53%0.02620%0.202CC..Hα-helixtrans-63.2-30.2176.3-71.2173.2000113T60 A61 R62 R67 G68 A70 L104 V113 R121 L123T60-L64 HydrophobicContact CG2-CD1 4.39Å; T60-L64 WeakPolarHBondContact O-CG 3.47Å; T60-L64 PolarHBondContact O-N 3Å; A61-L64 PolarHBondContact O-N 3.35Å; R62-L64 VanDerWaalsContact C-N 3.35Å; L64-R67 CarbonylContact O-C 3.6Å; L64-G68 PolarHBondContact O-N 3.29Å; L64-A70 HydrophobicContact CD2-CB 3.65Å; L64-L104 HydrophobicContact CD1-CD2 3.93Å; L64-V113 HydrophobicContact CD1-CB 4.46Å; L64-V113 HydrophobicContact CD1-CG1 3.87Å; L64-V113 HydrophobicContact CD1-CG2 3.62Å; L64-R121 HydrophobicContact CD2-CB 4.3Å; L64-R121 VanDerWaalsContact CD2-O 3.32Å; L64-R121 WeakPolarHBondContact CD2-O 3.49Å; L64-L123 HydrophobicContact CB-CD2 4.49Å; L64-L123 HydrophobicContact CB-CG 4.07Å
65Y95.1Very high95Very high52 Ų5233.6 Ų33.620%0.20420%0.195CC..Hα-helixtrans-63.7-46.6171.8-171-82.1000112.1V6 A61 R62 H63 L123 L131 D132V6-Y65 HydrophobicContact CB-CD1 3.85Å; V6-Y65 HydrophobicContact CB-CD2 4.48Å; V6-Y65 HydrophobicContact CB-CE1 3.69Å; V6-Y65 HydrophobicContact CB-CE2 4.3Å; V6-Y65 HydrophobicContact CB-CG 4.25Å; V6-Y65 HydrophobicContact CG1-CD1 4.3Å; V6-Y65 HydrophobicContact CG2-CD1 4.16Å; V6-Y65 HydrophobicContact CG2-CD2 3.88Å; V6-Y65 HydrophobicContact CG2-CE1 4.02Å; V6-Y65 HydrophobicContact CG2-CE2 3.68Å; V6-Y65 HydrophobicContact CG2-CG 4.09Å; A61-Y65 PolarHBondContact O-N 3.09Å; R62-Y65 WeakPolarHBondContact O-CB 3.39Å; R62-Y65 PolarHBondContact O-N 2.94Å; H63-Y65 PolarHBondContact O-N 2.99Å; Y65-L123 VanDerWaalsContact CA-CD1 3.46Å; Y65-L123 HydrophobicContact CD2-CD1 3.77Å; Y65-L123 HydrophobicContact CG-CD1 4.13Å; Y65-L131 HydrophobicContact CD2-CB 4.33Å; Y65-L131 HydrophobicContact CD2-CD1 3.83Å; Y65-L131 HydrophobicContact CG-CD1 4.4Å; Y65-D132 WeakPolarHBondContact CE2-OD1 3.28Å; Y65-D132 PolarHBondContact OH-OD1 2.98Å
66L93.8Very high95Very high72 Ų7231.1 Ų31.138%0.37718%0.18SC..Hα-helixtrans-77.4-36-177-64.5175.1000112.5K7 R62 H63K7-L66 HydrophobicContact CD-CD2 4.48Å; K7-L66 HydrophobicContact CG-CD2 3.86Å; R62-L66 PolarHBondContact O-N 3.26Å; H63-L66 PolarHBondContact O-N 3.49Å
67R92.5Very high95.1Very high158 Ų15835.9 Ų35.960%0.59620%0.201SC*.SBendtrans-144.193.4-177.9-168.4176.7-173.6-79-2.9109.9H63 L64H63-R67 PolarHBondContact O-N 3.36Å; L64-R67 CarbonylContact O-C 3.6Å
68G90.5Very high95Very high40 Ų4039.3 Ų39.341%0.41222%0.219SC..  trans-63.2177.2171.300000113.2L64 A70L64-G68 PolarHBondContact O-N 3.29Å; G68-A70 VanDerWaalsContact C-N 3.26Å; G68-A70 PolarHBondContact O-N 2.86Å
69G91.3Very high95Very high37 Ų3741.2 Ų41.238%0.38123%0.226SC..SBendtrans70.619-178.900000113.8R121G69-R121 WeakPolarHBondContact CA-O 3.1Å; G69-R121 PolarHBondContact N-O 3.11Å
70A92.6Very high95Very high0 Ų040.6 Ų40.60%023%0.225CC..  trans-87.5118.1-175.600000111.3L64 G68 S74 M75 R121L64-A70 HydrophobicContact CD2-CB 3.65Å; G68-A70 VanDerWaalsContact C-N 3.26Å; G68-A70 PolarHBondContact O-N 2.86Å; A70-S74 WeakPolarHBondContact CA-OG 3.47Å; A70-S74 WeakPolarHBondContact CB-OG 3.45Å; A70-M75 HydrophobicContact CB-SD 4.11Å; A70-R121 PolarHBondContact N-O 3.43Å; A70-R121 PolarHBondContact O-N 3.32Å
71G92.9Very high95.1Very high18 Ų1841.2 Ų41.219%0.18623%0.232CC..  trans-90.7172.9173.400000113.7G73 S74 M75G71-G73 PolarHBondContact O-N 3.36Å; G71-G73 VanDerWaalsContact O-N 3.15Å; G71-S74 PolarHBondContact N-OG 2.88Å; G71-S74 VanDerWaalsContact N-OG 3.09Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.86Å; G71-M75 PolarHBondContact O-N 2.98Å; G71-M75 VanDerWaalsContact O-N 3.11Å
72V95.5Very high95.1Very high22 Ų2249.3 Ų49.313%0.13326%0.263CS..Hα-helixtrans-49.6-43.9176.31800000111.8S74 M75 T76 K97 A100 R101 L104V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 3.38Å; V72-M75 PolarHBondContact O-N 3.36Å; V72-T76 WeakPolarHBondContact O-CG2 3.43Å; V72-T76 PolarHBondContact O-N 3.36Å; V72-K97 HydrophobicContact CG1-CB 4.49Å; V72-A100 HydrophobicContact CG1-CB 4Å; V72-R101 HydrophobicContact CG1-CB 4.31Å; V72-R101 HydrophobicContact CG2-CB 4.19Å; V72-R101 HydrophobicContact CG2-CG 4.46Å; V72-L104 HydrophobicContact CG2-CD1 3.86Å
73G95.5Very high95.2Very high37 Ų3748.8 Ų48.838%0.38126%0.263SS..Hα-helixtrans-60.9-40.3179.200000113.3G71 T76 K77G71-G73 PolarHBondContact O-N 3.36Å; G71-G73 VanDerWaalsContact O-N 3.15Å; G73-T76 PolarHBondContact O-N 3.17Å; G73-T76 PolarHBondContact O-OG1 2.93Å; G73-K77 PolarHBondContact O-N 3.48Å
74S95.3Very high95.1Very high37 Ų3755 Ų5526%0.25928%0.284SS..Hα-helixtrans-67.5-42.1176.671.30000111.8A70 G71 V72 T76 K77 I78A70-S74 WeakPolarHBondContact CA-OG 3.47Å; A70-S74 WeakPolarHBondContact CB-OG 3.45Å; G71-S74 PolarHBondContact N-OG 2.88Å; G71-S74 VanDerWaalsContact N-OG 3.09Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.86Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 3.38Å; S74-T76 VanDerWaalsContact C-N 3.28Å; S74-T76 PolarHBondContact O-N 3.29Å; S74-K77 WeakPolarHBondContact O-CA 3.35Å; S74-K77 WeakPolarHBondContact O-CB 3.48Å; S74-K77 PolarHBondContact O-N 3.29Å; S74-I78 WeakPolarHBondContact O-CD1 3.42Å; S74-I78 WeakPolarHBondContact O-CG1 3.32Å; S74-I78 PolarHBondContact O-N 2.88Å
75M96.5Very high95.1Very high1 Ų157.3 Ų57.31%0.00530%0.297CS..Hα-helixtrans-59.4-38.8175.2-59.4-47.9-58.800111.8T60 H63 A70 G71 V72 K77 I78 Y79 A100 L104T60-M75 HydrophobicContact CG2-CE 3.61Å; T60-M75 HydrophobicContact CG2-SD 4.31Å; H63-M75 HydrophobicContact CB-CE 4.35Å; A70-M75 HydrophobicContact CB-SD 4.11Å; G71-M75 PolarHBondContact O-N 2.98Å; G71-M75 VanDerWaalsContact O-N 3.11Å; V72-M75 PolarHBondContact O-N 3.36Å; M75-K77 VanDerWaalsContact C-N 3.26Å; M75-K77 PolarHBondContact O-N 3.5Å; M75-I78 HydrophobicContact CE-CD1 4.31Å; M75-I78 PolarHBondContact O-N 3.42Å; M75-I78 HydrophobicContact SD-CD1 3.95Å; M75-Y79 HydrophobicContact CB-CD2 4.39Å; M75-Y79 HydrophobicContact CB-CE2 4.35Å; M75-Y79 HydrophobicContact CE-CD2 4.27Å; M75-Y79 HydrophobicContact CE-CE2 3.33Å; M75-Y79 WeakPolarHBondContact O-CD2 3.45Å; M75-Y79 PolarHBondContact O-N 2.92Å; M75-A100 HydrophobicContact CB-CB 3.98Å; M75-L104 HydrophobicContact CG-CD1 4.16Å
76T97.2Very high95.1Very high1 Ų158.3 Ų58.31%0.00632%0.323CS..Hα-helixtrans-68.2-23.2175.266.30000114V72 G73 S74 G80 R94 G95 K97 A100V72-T76 WeakPolarHBondContact O-CG2 3.43Å; V72-T76 PolarHBondContact O-N 3.36Å; G73-T76 PolarHBondContact O-N 3.17Å; G73-T76 PolarHBondContact O-OG1 2.93Å; S74-T76 VanDerWaalsContact C-N 3.28Å; S74-T76 PolarHBondContact O-N 3.29Å; T76-G80 PolarHBondContact O-N 3.45Å; T76-R94 CarbonylContact O-C 3.59Å; T76-R94 WeakPolarHBondContact O-CA 3.42Å; T76-G95 WeakPolarHBondContact CG2-O 3.34Å; T76-G95 PolarHBondContact O-N 2.94Å; T76-K97 HydrophobicContact CG2-CB 4.3Å; T76-K97 HydrophobicContact CG2-CG 3.83Å; T76-A100 HydrophobicContact CG2-CB 4.12Å
77K97.3Very high95.2Very high140 Ų14062.1 Ų62.161%0.60935%0.349SS*.Hα-helixtrans-77.7-43.7173.4-169.1176.2178.5-178.60110.6G73 S74 M75 G80 F92G73-K77 PolarHBondContact O-N 3.48Å; S74-K77 WeakPolarHBondContact O-CA 3.35Å; S74-K77 WeakPolarHBondContact O-CB 3.48Å; S74-K77 PolarHBondContact O-N 3.29Å; M75-K77 VanDerWaalsContact C-N 3.26Å; M75-K77 PolarHBondContact O-N 3.5Å; K77-G80 PolarHBondContact O-N 2.93Å; K77-G80 VanDerWaalsContact O-N 3.09Å; K77-F92 HydrophobicContact CG-CZ 4.3Å
78I96.4Very high95.4Very high72 Ų7263.6 Ų63.637%0.36935%0.354SS..Hα-helixtrans-61.4-46.4177.7-65.6153000111.2H63 S74 M75 G80H63-I78 VanDerWaalsContact CD2-CD1 3.45Å; H63-I78 WeakPolarHBondContact CD2-CD1 3.41Å; H63-I78 VanDerWaalsContact CE1-CD1 3.4Å; H63-I78 WeakPolarHBondContact CE1-CD1 3.5Å; H63-I78 WeakPolarHBondContact NE2-CD1 3.33Å; S74-I78 WeakPolarHBondContact O-CD1 3.42Å; S74-I78 WeakPolarHBondContact O-CG1 3.32Å; S74-I78 PolarHBondContact O-N 2.88Å; M75-I78 HydrophobicContact CE-CD1 4.31Å; M75-I78 PolarHBondContact O-N 3.42Å; M75-I78 HydrophobicContact SD-CD1 3.95Å; I78-G80 PolarHBondContact O-N 3.19Å
79Y97.1Very high95.7Very high39 Ų3966.3 Ų66.315%0.15337%0.365CS..THydrogen-bonded Turntrans-88.820.2175.7-54.1-56.4000113R56 S59 T60 M75R56-Y79 VanDerWaalsContact CD-CZ 3.5Å; S59-Y79 VanDerWaalsContact C-OH 3.32Å; S59-Y79 WeakPolarHBondContact CB-OH 3.32Å; S59-Y79 PolarHBondContact OG-OH 3.17Å; T60-Y79 WeakPolarHBondContact CA-OH 3.37Å; T60-Y79 PolarHBondContact N-OH 3.5Å; T60-Y79 VanDerWaalsContact N-OH 3.11Å; T60-Y79 PolarHBondContact OG1-OH 2.72Å; M75-Y79 HydrophobicContact CB-CD2 4.39Å; M75-Y79 HydrophobicContact CB-CE2 4.35Å; M75-Y79 HydrophobicContact CE-CD2 4.27Å; M75-Y79 HydrophobicContact CE-CE2 3.33Å; M75-Y79 WeakPolarHBondContact O-CD2 3.45Å; M75-Y79 PolarHBondContact O-N 2.92Å
80G96.8Very high96Very high20 Ų2066.9 Ų66.921%0.20636%0.363CS..  trans-75.1168.8170.100000111.4T76 K77 I78 S93T76-G80 PolarHBondContact O-N 3.45Å; K77-G80 PolarHBondContact O-N 2.93Å; K77-G80 VanDerWaalsContact O-N 3.09Å; I78-G80 PolarHBondContact O-N 3.19Å; G80-S93 CarbonylContact C-O 3.54Å; G80-S93 WeakPolarHBondContact CA-O 3.21Å
81G97.4Very high96.2Very high16 Ų1672.4 Ų72.417%0.16539%0.388CS..EExtended strand (participates in β ladder)trans-166.1177.9-178.700000112.9H42 S93H42-G81 PolarHBondContact CE1-N 3.3Å; G81-S93 PolarHBondContact N-O 2.88Å; G81-S93 PolarHBondContact O-N 3.11Å
82R97Very high96.5Very high170 Ų17077.5 Ų77.564%0.64241%0.406SS*.EExtended strand (participates in β ladder)trans-73.9124.2177.2-172175.773.8147.4-2.6110.3
83Q96.8Very high96.6Very high47 Ų4776.6 Ų76.622%0.2240%0.4CS..EExtended strand (participates in β ladder)trans-98.1118.7170.8-173.2170.1-7.300109.1H42 S90 H91H42-Q83 HydrophobicContact CB-CB 3.57Å; H42-Q83 HydrophobicContact CB-CG 3.94Å; Q83-S90 VanDerWaalsContact O-CA 3.27Å; Q83-S90 WeakPolarHBondContact O-CA 3.39Å; Q83-S90 WeakPolarHBondContact O-CB 3.4Å; Q83-H91 PolarHBondContact N-O 3.41Å; Q83-H91 PolarHBondContact O-N 2.98Å; Q83-H91 VanDerWaalsContact O-N 3.16Å
84R95.3Very high96.7Very high170 Ų17081.2 Ų81.264%0.64241%0.406SS*.EExtended strand (participates in β ladder)trans-76.4130.1167.4-69.2173.163118.62.2108
85N94.7Very high96.8Very high55 Ų5579.9 Ų79.929%0.29440%0.398SS..EExtended strand (participates in β ladder)trans-110.640.9-176.2-65.4-50.4000111.5V87 R88 P89N85-V87 PolarHBondContact O-N 3.38Å; N85-R88 HydrophobicContact CB-CB 3.92Å; N85-R88 PolarHBondContact O-N 2.67Å; N85-R88 VanDerWaalsContact O-N 3.15Å; N85-P89 PolarHBondContact ND2-O 3.09Å
86G94.7Very high96.8Very high72 Ų7281.4 Ų81.474%0.74241%0.409SS*.THydrogen-bonded Turntrans62.2-115.3-173.500000111.3R88G86-R88 VanDerWaalsContact C-N 3.33Å
87V96.8Very high96.8Very high153 Ų15387.7 Ų87.793%0.92744%0.436SS*.THydrogen-bonded Turntrans-78.6-12.4179.8-59.50000114.1N85N85-V87 PolarHBondContact O-N 3.38Å
88R96Very high96.8Very high188 Ų18884 Ų8471%0.70943%0.428SS*.EExtended strand (participates in β ladder)trans-89.4155.8179.6-61.6-179.7-176.41791111.3N85 G86N85-R88 HydrophobicContact CB-CB 3.92Å; N85-R88 PolarHBondContact O-N 2.67Å; N85-R88 VanDerWaalsContact O-N 3.15Å; G86-R88 VanDerWaalsContact C-N 3.33Å
89P97.1Very high96.8Very high97 Ų9780.8 Ų80.863%0.6341%0.412SS*.EExtended strand (participates in β ladder)trans-51.5148.8174.3-27.635.5000113.5N85 H91N85-P89 PolarHBondContact ND2-O 3.09Å; P89-H91 PolarHBondContact O-CD2 3.15Å
90S97.4Very high96.8Very high49 Ų4979.2 Ų79.234%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-76.1138.4177.9-63.30000111.1Q83Q83-S90 VanDerWaalsContact O-CA 3.27Å; Q83-S90 WeakPolarHBondContact O-CA 3.39Å; Q83-S90 WeakPolarHBondContact O-CB 3.4Å
91H97.4Very high96.7Very high116 Ų11683.1 Ų83.154%0.53742%0.416SS..EExtended strand (participates in β ladder)trans-127.1158.2177.5-68.8-73.4000111.9Q83 P89Q83-H91 PolarHBondContact N-O 3.41Å; Q83-H91 PolarHBondContact O-N 2.98Å; Q83-H91 VanDerWaalsContact O-N 3.16Å; P89-H91 PolarHBondContact O-CD2 3.15Å
92F98Very high96.7Very high125 Ų12587.7 Ų87.755%0.54843%0.428SS..EExtended strand (participates in β ladder)trans-69.1136.4172.3174.5-99.1000111K77 R94K77-F92 HydrophobicContact CG-CZ 4.3Å; F92-R94 HydrophobicContact CE1-CG 3.99Å
93S97.3Very high96.7Very high3 Ų379.6 Ų79.62%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-130.6137.1172.6169.90000110.8K41 H42 G80 G81K41-S93 WeakPolarHBondContact CE-OG 3.4Å; K41-S93 WeakPolarHBondContact CG-OG 3.34Å; H42-S93 PolarHBondContact ND1-O 3.23Å; G80-S93 CarbonylContact C-O 3.54Å; G80-S93 WeakPolarHBondContact CA-O 3.21Å; G81-S93 PolarHBondContact N-O 2.88Å; G81-S93 PolarHBondContact O-N 3.11Å
94R97.8Very high96.7Very high134 Ų13477.4 Ų77.451%0.50639%0.387SS..PPolyproline II helixtrans-64.3157.3172.4-62.6-166.4-175.8-162.15.8112.6T76 F92T76-R94 CarbonylContact O-C 3.59Å; T76-R94 WeakPolarHBondContact O-CA 3.42Å; F92-R94 HydrophobicContact CE1-CG 3.99Å
95G97.3Very high96.7Very high9 Ų973.1 Ų73.19%0.09337%0.374CS..PPolyproline II helixtrans-73.5172.3170.800000113.6T76 K97T76-G95 WeakPolarHBondContact CG2-O 3.34Å; T76-G95 PolarHBondContact O-N 2.94Å; G95-K97 PolarHBondContact O-N 3.28Å
96S96.9Very high96.7Very high33 Ų3371 Ų7123%0.23136%0.364CS..PPolyproline II helixtrans-65.8123.8179178.20000112.4L39 S98 V99 A100L39-S96 WeakPolarHBondContact O-CB 3.37Å; L39-S96 PolarHBondContact O-N 2.94Å; S96-S98 PolarHBondContact OG-N 3.36Å; S96-V99 PolarHBondContact OG-N 2.84Å; S96-A100 PolarHBondContact O-N 3.04Å
97K97.5Very high96.8Very high133 Ų13367.5 Ų67.558%0.57833%0.329SS*.Hα-helixtrans-66.7-37.6175.1-64.3-179.6-171.2177.80111.7V72 T76 G95 A100 R101V72-K97 HydrophobicContact CG1-CB 4.49Å; T76-K97 HydrophobicContact CG2-CB 4.3Å; T76-K97 HydrophobicContact CG2-CG 3.83Å; G95-K97 PolarHBondContact O-N 3.28Å; K97-A100 PolarHBondContact O-N 3.3Å; K97-R101 WeakPolarHBondContact O-CB 3.37Å; K97-R101 PolarHBondContact O-N 2.96Å
98S96.3Very high96.7Very high63 Ų6362.5 Ų62.544%0.44130%0.295SS..Hα-helixtrans-65.2-44.9-179-59.30000111.2S96 R101 R102S96-S98 PolarHBondContact OG-N 3.36Å; S98-R101 PolarHBondContact O-N 3.28Å; S98-R102 WeakPolarHBondContact O-CG 3.46Å; S98-R102 PolarHBondContact O-N 3.29Å
99V96.9Very high96.6Very high4 Ų456.6 Ų56.62%0.02429%0.292CS..Hα-helixtrans-61.5-51.2175.2175.20000110.7W52 R56 S96 R101 R102 V103W52-V99 HydrophobicContact CH2-CG1 3.91Å; W52-V99 HydrophobicContact CH2-CG2 4.1Å; W52-V99 HydrophobicContact CZ3-CG1 3.62Å; R56-V99 HydrophobicContact CG-CG1 4.41Å; S96-V99 PolarHBondContact OG-N 2.84Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 3.47Å; V99-R102 PolarHBondContact O-N 3.39Å; V99-V103 HydrophobicContact CG1-CG2 4.22Å; V99-V103 VanDerWaalsContact O-CG2 3.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 2.94Å
100A96.5Very high96.4Very high6 Ų653.5 Ų53.55%0.0527%0.271CS..Hα-helixtrans-58.1-40.7-179.900000112.6V72 M75 T76 S96 K97 L104V72-A100 HydrophobicContact CG1-CB 4Å; M75-A100 HydrophobicContact CB-CB 3.98Å; T76-A100 HydrophobicContact CG2-CB 4.12Å; S96-A100 PolarHBondContact O-N 3.04Å; K97-A100 PolarHBondContact O-N 3.3Å; A100-L104 WeakPolarHBondContact O-CG 3.19Å; A100-L104 PolarHBondContact O-N 3.38Å
101R96.4Very high96.2Very high103 Ų10358.3 Ų58.339%0.38929%0.285SS..Hα-helixtrans-64.2-48.7176.6-174.2-175.7-61.4106.7-5.3111.9V72 K97 S98 V99 V103 L104 Q105V72-R101 HydrophobicContact CG1-CB 4.31Å; V72-R101 HydrophobicContact CG2-CB 4.19Å; V72-R101 HydrophobicContact CG2-CG 4.46Å; K97-R101 WeakPolarHBondContact O-CB 3.37Å; K97-R101 PolarHBondContact O-N 2.96Å; S98-R101 PolarHBondContact O-N 3.28Å; V99-R101 VanDerWaalsContact C-N 3.29Å; V99-R101 PolarHBondContact O-N 3.47Å; R101-V103 VanDerWaalsContact C-N 3.35Å; R101-V103 PolarHBondContact O-N 3.18Å; R101-L104 PolarHBondContact O-N 3.16Å; R101-Q105 HydrophobicContact CG-CG 4.5Å; R101-Q105 WeakPolarHBondContact O-CB 3.15Å; R101-Q105 WeakPolarHBondContact O-CG 3.4Å; R101-Q105 PolarHBondContact O-N 3.19Å
102R96.6Very high96Very high112 Ų11253.1 Ų53.142%0.42326%0.261SS..Hα-helixtrans-65.6-37.7-178.4-68.4-62.8177.7172.70.7112.4P31 W33 F53 S98 V99 Q105 A106P31-R102 HydrophobicContact CG-CB 3.86Å; P31-R102 HydrophobicContact CG-CG 4.07Å; W33-R102 HydrophobicContact CZ2-CG 3.78Å; F53-R102 HydrophobicContact CE2-CB 4.5Å; S98-R102 WeakPolarHBondContact O-CG 3.46Å; S98-R102 PolarHBondContact O-N 3.29Å; V99-R102 PolarHBondContact O-N 3.39Å; R102-Q105 PolarHBondContact O-N 2.92Å; R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.22Å; R102-A106 PolarHBondContact O-N 2.72Å
103V97Very high95.9Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-62.8-46.3175.6170.80000111.2F53 R56 A57 T60 V99 R101 A106 L107F53-V103 HydrophobicContact CD2-CG2 4.1Å; F53-V103 HydrophobicContact CE2-CG2 3.51Å; F53-V103 HydrophobicContact CZ-CG2 3.82Å; R56-V103 HydrophobicContact CB-CG2 4.47Å; R56-V103 HydrophobicContact CG-CG2 3.82Å; A57-V103 HydrophobicContact CB-CG1 4.08Å; T60-V103 HydrophobicContact CG2-CG1 4.12Å; V99-V103 HydrophobicContact CG1-CG2 4.22Å; V99-V103 VanDerWaalsContact O-CG2 3.28Å; V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 2.94Å; R101-V103 VanDerWaalsContact C-N 3.35Å; R101-V103 PolarHBondContact O-N 3.18Å; V103-A106 PolarHBondContact O-N 2.88Å; V103-L107 HydrophobicContact CG1-CD1 4.25Å; V103-L107 WeakPolarHBondContact O-CG 3.22Å; V103-L107 PolarHBondContact O-N 3.2Å
104L95.9Very high95.8Very high0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-63.1-44.7176.8-73.3166.8000111.7T60 L64 V72 M75 A100 R101 A106 L107 E108 R121T60-L104 HydrophobicContact CG2-CD2 3.79Å; T60-L104 HydrophobicContact CG2-CG 4.37Å; L64-L104 HydrophobicContact CD1-CD2 3.93Å; V72-L104 HydrophobicContact CG2-CD1 3.86Å; M75-L104 HydrophobicContact CG-CD1 4.16Å; A100-L104 WeakPolarHBondContact O-CG 3.19Å; A100-L104 PolarHBondContact O-N 3.38Å; R101-L104 PolarHBondContact O-N 3.16Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.01Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-E108 WeakPolarHBondContact O-CB 3.27Å; L104-E108 WeakPolarHBondContact O-CG 3.33Å; L104-E108 PolarHBondContact O-N 2.81Å; L104-R121 HydrophobicContact CD2-CB 4.49Å; L104-R121 HydrophobicContact CD2-CG 4.39Å
105Q95.4Very high95.6Very high81 Ų8151.3 Ų51.338%0.37926%0.258SS..Hα-helixtrans-63-37.2176.1-73.2172.5-28.200112.7R101 R102 E108 G109R101-Q105 HydrophobicContact CG-CG 4.5Å; R101-Q105 WeakPolarHBondContact O-CB 3.15Å; R101-Q105 WeakPolarHBondContact O-CG 3.4Å; R101-Q105 PolarHBondContact O-N 3.19Å; R102-Q105 PolarHBondContact O-N 2.92Å; Q105-E108 PolarHBondContact O-N 3.32Å; Q105-G109 PolarHBondContact O-N 3.39Å
106A95.7Very high95.3Very high9 Ų952.7 Ų52.77%0.07426%0.263CS..Hα-helixtrans-67-39.8176.600000111.5L28 F53 R102 V103 L104 G109 L110L28-A106 HydrophobicContact CD1-CB 3.68Å; L28-A106 HydrophobicContact CG-CB 4.2Å; F53-A106 HydrophobicContact CE1-CB 4.26Å; F53-A106 HydrophobicContact CZ-CB 4.3Å; R102-A106 VanDerWaalsContact O-CB 3.26Å; R102-A106 WeakPolarHBondContact O-CB 3.22Å; R102-A106 PolarHBondContact O-N 2.72Å; V103-A106 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.01Å; A106-G109 PolarHBondContact O-N 3.37Å; A106-L110 PolarHBondContact O-N 3.38Å
107L95.7Very high95Very high0 Ų060 Ų600%029%0.294CS..Hα-helixtrans-69.2-35.8173.9-70171.6000112.9A57 T60 A61 V103 L104 G109 L110 K111 M112 V113A57-L107 HydrophobicContact CB-CD2 4.32Å; T60-L107 HydrophobicContact CG2-CD1 4.09Å; A61-L107 HydrophobicContact CB-CD1 4.23Å; A61-L107 HydrophobicContact CB-CD2 4.49Å; V103-L107 HydrophobicContact CG1-CD1 4.25Å; V103-L107 WeakPolarHBondContact O-CG 3.22Å; V103-L107 PolarHBondContact O-N 3.2Å; L104-L107 PolarHBondContact O-N 2.84Å; L107-G109 VanDerWaalsContact C-N 3.34Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-K111 PolarHBondContact O-N 2.81Å; L107-M112 HydrophobicContact CD2-SD 4.43Å; L107-M112 PolarHBondContact O-N 3.42Å; L107-V113 HydrophobicContact CB-CB 4.02Å; L107-V113 HydrophobicContact CB-CG2 3.68Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CG-CG2 4.46Å; L107-V113 PolarHBondContact O-N 3.02Å
108E94.9Very high94.6Very high48 Ų4861.2 Ų61.222%0.22431%0.306CS..Hα-helixtrans-61.8-42.3170.7-73.7170.1-16000110.4L104 Q105 L110 K111 V113 R121L104-E108 WeakPolarHBondContact O-CB 3.27Å; L104-E108 WeakPolarHBondContact O-CG 3.33Å; L104-E108 PolarHBondContact O-N 2.81Å; Q105-E108 PolarHBondContact O-N 3.32Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.29Å; E108-K111 WeakPolarHBondContact O-CA 3.41Å; E108-K111 PolarHBondContact O-N 3Å; E108-V113 WeakPolarHBondContact CA-O 3.43Å; E108-V113 HydrophobicContact CG-CB 4.38Å; E108-V113 HydrophobicContact CG-CG1 4.16Å; E108-R121 IonicContact OE1-NE 2.8Å; E108-R121 PolarHBondContact OE1-NE 2.9Å
109G93.7Very high94.2Very high63 Ų6360 Ų6065%0.64931%0.305SS*.Hα-helixtrans-63.5-27.3175.600000114.4Q105 A106 L107 K111Q105-G109 PolarHBondContact O-N 3.39Å; A106-G109 PolarHBondContact O-N 3.37Å; L107-G109 VanDerWaalsContact C-N 3.34Å; G109-K111 VanDerWaalsContact C-N 3.27Å
110L93.2Very high93.9Very high33 Ų3360.8 Ų60.817%0.17331%0.313CS..THydrogen-bonded Turntrans-82.4-0.7171.9-70-178.3000113.7L22 K27 L28 A106 L107 E108 M112L22-L110 HydrophobicContact CD2-CD1 3.83Å; K27-L110 HydrophobicContact CB-CD2 3.41Å; K27-L110 VanDerWaalsContact CB-CD2 3.41Å; L28-L110 HydrophobicContact CB-CD1 4.19Å; L28-L110 HydrophobicContact CD1-CD1 3.46Å; L28-L110 VanDerWaalsContact CD1-CD1 3.46Å; L28-L110 HydrophobicContact CD1-CG 4.2Å; L28-L110 HydrophobicContact CG-CD1 4.44Å; A106-L110 PolarHBondContact O-N 3.38Å; L107-L110 PolarHBondContact O-N 3.37Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.29Å; L110-M112 HydrophobicContact CB-CG 4.09Å; L110-M112 PolarHBondContact O-N 3.01Å
111K93.8Very high93.8Very high149 Ų14962.8 Ų62.865%0.64832%0.319SS*.THydrogen-bonded Turntrans5821.5-173.5-52.3-174.1-177.3-173.60114.1L107 E108 G109 T124L107-K111 PolarHBondContact O-N 2.81Å; E108-K111 WeakPolarHBondContact O-CA 3.41Å; E108-K111 PolarHBondContact O-N 3Å; G109-K111 VanDerWaalsContact C-N 3.27Å; K111-T124 WeakPolarHBondContact O-CG2 3.49Å; K111-T124 PolarHBondContact O-OG1 3.18Å
112M93.9Very high93.7Very high7 Ų760.9 Ų60.93%0.03431%0.314CS..SBendtrans-84.7-27.1174.4-66.9-169.677.500112.2L22 L107 L110 L123 T124 D130 L131L22-M112 HydrophobicContact CD2-SD 4.04Å; L107-M112 HydrophobicContact CD2-SD 4.43Å; L107-M112 PolarHBondContact O-N 3.42Å; L110-M112 HydrophobicContact CB-CG 4.09Å; L110-M112 PolarHBondContact O-N 3.01Å; M112-L123 WeakPolarHBondContact O-CA 3.47Å; M112-L123 WeakPolarHBondContact O-CD2 3.4Å; M112-T124 PolarHBondContact O-N 3.39Å; M112-T124 PolarHBondContact O-OG1 3.49Å; M112-D130 HydrophobicContact CE-CB 4.02Å; M112-L131 HydrophobicContact CE-CD2 4.42Å; M112-L131 HydrophobicContact CE-CG 4.41Å
113V95.6Very high93.7Very high5 Ų556 Ų563%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-126.3142.8-176.5173.60000109.1L64 L107 E108 R121 K122 L123L64-V113 HydrophobicContact CD1-CB 4.46Å; L64-V113 HydrophobicContact CD1-CG1 3.87Å; L64-V113 HydrophobicContact CD1-CG2 3.62Å; L107-V113 HydrophobicContact CB-CB 4.02Å; L107-V113 HydrophobicContact CB-CG2 3.68Å; L107-V113 HydrophobicContact CD1-CG2 4.13Å; L107-V113 HydrophobicContact CG-CG2 4.46Å; L107-V113 PolarHBondContact O-N 3.02Å; E108-V113 WeakPolarHBondContact CA-O 3.43Å; E108-V113 HydrophobicContact CG-CB 4.38Å; E108-V113 HydrophobicContact CG-CG1 4.16Å; V113-R121 HydrophobicContact CG1-CB 3.65Å; V113-R121 HydrophobicContact CG1-CG 3.93Å; V113-K122 CarbonylContact C-O 3.56Å; V113-K122 WeakPolarHBondContact CA-O 3.32Å; V113-K122 WeakPolarHBondContact CG1-O 3.25Å; V113-L123 HydrophobicContact CG2-CD2 3.95Å
114E94.9Very high93.6Very high76 Ų7656.7 Ų56.736%0.35530%0.301SS..EExtended strand (participates in β ladder)trans-129.9163.7173.762.1-176.1-172.300110.9R121 K122 T124E114-R121 CarbonylContact O-C 3.54Å; E114-R121 WeakPolarHBondContact O-CA 3.48Å; E114-R121 WeakPolarHBondContact O-CB 3.29Å; E114-K122 HydrophobicContact CG-CG 3.75Å; E114-K122 PolarHBondContact N-O 2.74Å; E114-K122 PolarHBondContact O-N 3.13Å; E114-K122 VanDerWaalsContact O-O 3.14Å; E114-K122 WeakPolarHBondContact OE1-CE 3.33Å; E114-T124 HydrophobicContact CB-CG2 3.8Å; E114-T124 HydrophobicContact CG-CG2 3.87Å
115K94.6Very high93.6Very high144 Ų14461.1 Ų61.163%0.62633%0.329SS*.EExtended strand (participates in β ladder)trans-76.1137.4173.4-65.7179.9-175.9172.70108.9
116D90.8Very high93.5Very high37 Ų3762 Ų6220%0.19833%0.334CS..  trans-84154.2174.2-146.2-12.3000111.1G119 G120 K122D116-G119 WeakPolarHBondContact CB-O 3.26Å; D116-G119 PolarHBondContact O-N 3.35Å; D116-G120 PolarHBondContact N-O 3.15Å; D116-K122 HydrophobicContact CB-CD 4.38Å; D116-K122 HydrophobicContact CB-CG 4.37Å; D116-K122 WeakPolarHBondContact OD1-CE 3.5Å; D116-K122 IonicContact OD1-NZ 3.25Å; D116-K122 PolarHBondContact OD1-NZ 3.06Å
117Q89.4Confident93.4Very high186 Ų18661.6 Ų61.687%0.86933%0.33SS*.THydrogen-bonded Turntrans-67.5-39.7179.1-67.3177.1-600111.1G119Q117-G119 PolarHBondContact O-N 3.15Å; Q117-G119 VanDerWaalsContact O-N 3.17Å
118D88.7Confident93.3Very high159 Ų15966.1 Ų66.185%0.8535%0.351SS*.THydrogen-bonded Turntrans-788.2175.5-57.9-46000113.2
119G88.5Confident93.3Very high39 Ų3972.3 Ų72.340%0.40237%0.372SS..SBendtrans89.3168.9-177.500000114.2D116 Q117D116-G119 WeakPolarHBondContact CB-O 3.26Å; D116-G119 PolarHBondContact O-N 3.35Å; Q117-G119 PolarHBondContact O-N 3.15Å; Q117-G119 VanDerWaalsContact O-N 3.17Å
120G91.4Very high93.3Very high20 Ų2071 Ų7121%0.20635%0.351CS..SBendtrans78.2-147.5-171.300000111.7D116D116-G120 PolarHBondContact N-O 3.15Å
121R94.2Very high93.3Very high47 Ų4769.5 Ų69.518%0.17734%0.343CS..EExtended strand (participates in β ladder)trans-143.4152180-71.889.8176.1148.2-3.2110L64 G69 A70 L104 E108 V113 E114L64-R121 HydrophobicContact CD2-CB 4.3Å; L64-R121 VanDerWaalsContact CD2-O 3.32Å; L64-R121 WeakPolarHBondContact CD2-O 3.49Å; G69-R121 WeakPolarHBondContact CA-O 3.1Å; G69-R121 PolarHBondContact N-O 3.11Å; A70-R121 PolarHBondContact N-O 3.43Å; A70-R121 PolarHBondContact O-N 3.32Å; L104-R121 HydrophobicContact CD2-CB 4.49Å; L104-R121 HydrophobicContact CD2-CG 4.39Å; E108-R121 IonicContact OE1-NE 2.8Å; E108-R121 PolarHBondContact OE1-NE 2.9Å; V113-R121 HydrophobicContact CG1-CB 3.65Å; V113-R121 HydrophobicContact CG1-CG 3.93Å; E114-R121 CarbonylContact O-C 3.54Å; E114-R121 WeakPolarHBondContact O-CA 3.48Å; E114-R121 WeakPolarHBondContact O-CB 3.29Å
122K94.1Very high93.4Very high63 Ų6364.7 Ų64.727%0.27432%0.324SS..EExtended strand (participates in β ladder)trans-133.6165.117263.9179.9173.4-154.10110.1V113 E114 D116V113-K122 CarbonylContact C-O 3.56Å; V113-K122 WeakPolarHBondContact CA-O 3.32Å; V113-K122 WeakPolarHBondContact CG1-O 3.25Å; E114-K122 HydrophobicContact CG-CG 3.75Å; E114-K122 PolarHBondContact N-O 2.74Å; E114-K122 PolarHBondContact O-N 3.13Å; E114-K122 VanDerWaalsContact O-O 3.14Å; E114-K122 WeakPolarHBondContact OE1-CE 3.33Å; D116-K122 HydrophobicContact CB-CD 4.38Å; D116-K122 HydrophobicContact CB-CG 4.37Å; D116-K122 WeakPolarHBondContact OD1-CE 3.5Å; D116-K122 IonicContact OD1-NZ 3.25Å; D116-K122 PolarHBondContact OD1-NZ 3.06Å
123L95.5Very high93.4Very high9 Ų972.8 Ų72.85%0.04735%0.354CS..EExtended strand (participates in β ladder)trans-73.9144171.6-72.4168.5000110.2L64 Y65 M112 V113 Q128 L131L64-L123 HydrophobicContact CB-CD2 4.49Å; L64-L123 HydrophobicContact CB-CG 4.07Å; Y65-L123 VanDerWaalsContact CA-CD1 3.46Å; Y65-L123 HydrophobicContact CD2-CD1 3.77Å; Y65-L123 HydrophobicContact CG-CD1 4.13Å; M112-L123 WeakPolarHBondContact O-CA 3.47Å; M112-L123 WeakPolarHBondContact O-CD2 3.4Å; V113-L123 HydrophobicContact CG2-CD2 3.95Å; L123-Q128 HydrophobicContact CB-CG 3.86Å; L123-Q128 HydrophobicContact CD1-CG 4.12Å; L123-L131 HydrophobicContact CD1-CD1 3.38Å; L123-L131 HydrophobicContact CD2-CD1 3.94Å; L123-L131 HydrophobicContact CG-CD1 4.34Å
124T96.3Very high93.3Very high16 Ų1672.7 Ų72.710%0.09835%0.354CS..  trans-71.2159.5167.2630000109.8K111 M112 E114 Q126 G127 Q128K111-T124 WeakPolarHBondContact O-CG2 3.49Å; K111-T124 PolarHBondContact O-OG1 3.18Å; M112-T124 PolarHBondContact O-N 3.39Å; M112-T124 PolarHBondContact O-OG1 3.49Å; E114-T124 HydrophobicContact CB-CG2 3.8Å; E114-T124 HydrophobicContact CG-CG2 3.87Å; T124-Q126 PolarHBondContact O-N 3.25Å; T124-G127 WeakPolarHBondContact O-CA 3.33Å; T124-G127 PolarHBondContact O-N 3.37Å; T124-G127 PolarHBondContact OG1-N 2.96Å; T124-Q128 PolarHBondContact O-N 3.35Å
125P94.4Very high93.3Very high92 Ų9269.1 Ų69.160%0.59734%0.337SS*.Hα-helixtrans-56-34171.6-26.535.2000112.9R129P125-R129 PolarHBondContact O-N 3.3Å
126Q93.7Very high93.3Very high101 Ų10163.6 Ų63.647%0.47232%0.321SS..Hα-helixtrans-65.2-47.5172.5-179.5178.2-7.800111.3T124 Q128 R129 D130T124-Q126 PolarHBondContact O-N 3.25Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.91Å; Q126-R129 WeakPolarHBondContact O-CB 2.83Å; Q126-R129 PolarHBondContact O-N 3.43Å; Q126-D130 PolarHBondContact O-N 3.17Å
127G94.2Very high93.3Very high0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-60.6-38.7178.300000113T124 D130 L131T124-G127 WeakPolarHBondContact O-CA 3.33Å; T124-G127 PolarHBondContact O-N 3.37Å; T124-G127 PolarHBondContact OG1-N 2.96Å; G127-D130 PolarHBondContact O-N 2.94Å; G127-L131 VanDerWaalsContact O-CG 3.25Å; G127-L131 WeakPolarHBondContact O-CG 3.5Å; G127-L131 PolarHBondContact O-N 3.41Å; G127-L131 VanDerWaalsContact O-N 3.07Å
128Q94.5Very high93.5Very high94 Ų9458.6 Ų58.644%0.43930%0.297SS..Hα-helixtrans-61.6-48.2173.4-70.6-178.3-7.100111.6L123 T124 Q126 D130 L131 D132L123-Q128 HydrophobicContact CB-CG 3.86Å; L123-Q128 HydrophobicContact CD1-CG 4.12Å; T124-Q128 PolarHBondContact O-N 3.35Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 2.91Å; Q128-D130 VanDerWaalsContact C-N 3.32Å; Q128-D130 PolarHBondContact O-N 3.42Å; Q128-L131 PolarHBondContact O-N 3.42Å; Q128-D132 PolarHBondContact O-N 3.26Å
129R94.1Very high93.6Very high178 Ų17851.9 Ų51.967%0.67226%0.264SS*.Hα-helixtrans-59.4-42.2177.7-172.2-173.9-61.11511.3112.4P125 Q126 L131 D132 R133P125-R129 PolarHBondContact O-N 3.3Å; Q126-R129 WeakPolarHBondContact O-CB 2.83Å; Q126-R129 PolarHBondContact O-N 3.43Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-D132 PolarHBondContact O-N 2.87Å; R129-R133 WeakPolarHBondContact O-CB 3.1Å; R129-R133 PolarHBondContact O-N 3.31Å
130D92.9Very high93.7Very high37 Ų3751.8 Ų51.820%0.19826%0.259CS..Hα-helixtrans-63.7-41.7178.3-72.3-26.3000111.3M112 Q126 G127 Q128 I134M112-D130 HydrophobicContact CE-CB 4.02Å; Q126-D130 PolarHBondContact O-N 3.17Å; G127-D130 PolarHBondContact O-N 2.94Å; Q128-D130 VanDerWaalsContact C-N 3.32Å; Q128-D130 PolarHBondContact O-N 3.42Å; D130-I134 WeakPolarHBondContact O-CG1 3.11Å; D130-I134 PolarHBondContact O-N 3.18Å
131L94.7Very high93.6Very high0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-66.7-45.2176.6-68.6173.2000112.3V6 F14 L18 A61 Y65 M112 L123 G127 Q128 R129 R133 I134 A135V6-L131 HydrophobicContact CG2-CB 3.84Å; F14-L131 HydrophobicContact CE1-CD2 4.2Å; F14-L131 WeakPolarHBondContact CE2-O 3.45Å; F14-L131 HydrophobicContact CZ-CB 4.13Å; F14-L131 HydrophobicContact CZ-CD2 3.75Å; L18-L131 HydrophobicContact CD1-CD2 3.74Å; L18-L131 HydrophobicContact CD2-CD2 3.31Å; L18-L131 HydrophobicContact CG-CD2 4.18Å; A61-L131 HydrophobicContact CB-CD2 4.33Å; Y65-L131 HydrophobicContact CD2-CB 4.33Å; Y65-L131 HydrophobicContact CD2-CD1 3.83Å; Y65-L131 HydrophobicContact CG-CD1 4.4Å; M112-L131 HydrophobicContact CE-CD2 4.42Å; M112-L131 HydrophobicContact CE-CG 4.41Å; L123-L131 HydrophobicContact CD1-CD1 3.38Å; L123-L131 HydrophobicContact CD2-CD1 3.94Å; L123-L131 HydrophobicContact CG-CD1 4.34Å; G127-L131 VanDerWaalsContact O-CG 3.25Å; G127-L131 WeakPolarHBondContact O-CG 3.5Å; G127-L131 PolarHBondContact O-N 3.41Å; G127-L131 VanDerWaalsContact O-N 3.07Å; Q128-L131 PolarHBondContact O-N 3.42Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 2.95Å; L131-I134 PolarHBondContact O-N 2.96Å; L131-A135 PolarHBondContact O-N 3.23Å
132D95.6Very high93Very high48 Ų4854.4 Ų54.426%0.25728%0.279SS..Hα-helixtrans-65.6-36.9179.1-70.6-25.6000111.7V6 Y65 Q128 R129 I134 A135 G136V6-D132 PolarHBondContact N-OD1 3.33Å; Y65-D132 WeakPolarHBondContact CE2-OD1 3.28Å; Y65-D132 PolarHBondContact OH-OD1 2.98Å; Q128-D132 PolarHBondContact O-N 3.26Å; R129-D132 PolarHBondContact O-N 2.87Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.34Å; D132-A135 WeakPolarHBondContact O-CB 3.36Å; D132-A135 PolarHBondContact O-N 3.02Å; D132-G136 PolarHBondContact O-N 3.01Å
133R93.6Very high92.2Very high177 Ų17757.9 Ų57.967%0.66829%0.294SS*.Hα-helixtrans-60.3-43173.2-178.6-179.3175.3-177.21.3111.8R129 L131 A135 G136 Q137R129-R133 WeakPolarHBondContact O-CB 3.1Å; R129-R133 PolarHBondContact O-N 3.31Å; L131-R133 VanDerWaalsContact C-N 3.33Å; L131-R133 PolarHBondContact O-N 2.95Å; R133-A135 VanDerWaalsContact C-N 3.35Å; R133-G136 PolarHBondContact O-N 3.33Å; R133-Q137 WeakPolarHBondContact O-CG 3.34Å; R133-Q137 PolarHBondContact O-N 3.15Å; R133-Q137 VanDerWaalsContact O-N 3.15Å
134I94Very high90.7Very high4 Ų465.8 Ų65.82%0.02133%0.328CS..Hα-helixtrans-68.5-37177.3-67.4166.5000110.4F14 A17 L18 F21 D130 L131 D132 G136 Q137 V138F14-I134 HydrophobicContact CD2-CG2 4.28Å; F14-I134 HydrophobicContact CE2-CB 4.19Å; F14-I134 HydrophobicContact CE2-CG2 3.94Å; A17-I134 HydrophobicContact CB-CG2 4.18Å; L18-I134 HydrophobicContact CB-CG2 4.45Å; L18-I134 HydrophobicContact CD1-CD1 3.43Å; L18-I134 VanDerWaalsContact CD1-CD1 3.43Å; F21-I134 HydrophobicContact CB-CD1 3.92Å; F21-I134 HydrophobicContact CD1-CD1 3.59Å; F21-I134 HydrophobicContact CD2-CD1 4.27Å; F21-I134 HydrophobicContact CE1-CD1 4.14Å; F21-I134 HydrophobicContact CG-CD1 3.65Å; F21-I134 HydrophobicContact CG-CG1 4.47Å; D130-I134 WeakPolarHBondContact O-CG1 3.11Å; D130-I134 PolarHBondContact O-N 3.18Å; L131-I134 PolarHBondContact O-N 2.96Å; D132-I134 VanDerWaalsContact C-N 3.33Å; D132-I134 PolarHBondContact O-N 3.34Å; I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 2.84Å; I134-Q137 WeakPolarHBondContact O-CB 3.26Å; I134-Q137 PolarHBondContact O-N 3.19Å; I134-Q137 VanDerWaalsContact O-N 3.16Å; I134-V138 WeakPolarHBondContact O-CG2 3.12Å; I134-V138 PolarHBondContact O-N 3.24Å
135A94.3Very high88.5Confident0 Ų076 Ų760%037%0.374CS..Hα-helixtrans-60.4-44.3173.400000111.3V4 V6 V9 F14 L131 D132 R133 Q137 V138 A139V4-A135 HydrophobicContact CG1-CB 4.43Å; V6-A135 HydrophobicContact CG2-CB 4.4Å; V9-A135 HydrophobicContact CG1-CB 4.1Å; V9-A135 WeakPolarHBondContact CG1-O 3.4Å; V9-A135 HydrophobicContact CG2-CB 4.12Å; F14-A135 HydrophobicContact CD2-CB 4.15Å; F14-A135 HydrophobicContact CE2-CB 3.92Å; L131-A135 PolarHBondContact O-N 3.23Å; D132-A135 WeakPolarHBondContact O-CB 3.36Å; D132-A135 PolarHBondContact O-N 3.02Å; R133-A135 VanDerWaalsContact C-N 3.35Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.14Å; A135-V138 PolarHBondContact O-N 3.31Å; A135-A139 PolarHBondContact O-N 3.29Å
136G93.8Very high88.2Confident29 Ų2975.2 Ų75.230%0.29936%0.363SS..Hα-helixtrans-57.9-38.4173.300000113.5D132 R133 I134 A140D132-G136 PolarHBondContact O-N 3.01Å; R133-G136 PolarHBondContact O-N 3.33Å; I134-G136 VanDerWaalsContact C-N 3.34Å; I134-G136 PolarHBondContact O-N 2.84Å; G136-A140 WeakPolarHBondContact O-CB 3.34Å; G136-A140 PolarHBondContact O-N 2.82Å
137Q92Very high87.9Confident107 Ų10773.8 Ų73.850%0.536%0.357SS..Hα-helixtrans-66.8-42.4175.3-70.1178.6-16.500112.5R133 I134 A135 A140 A141R133-Q137 WeakPolarHBondContact O-CG 3.34Å; R133-Q137 PolarHBondContact O-N 3.15Å; R133-Q137 VanDerWaalsContact O-N 3.15Å; I134-Q137 WeakPolarHBondContact O-CB 3.26Å; I134-Q137 PolarHBondContact O-N 3.19Å; I134-Q137 VanDerWaalsContact O-N 3.16Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.14Å; Q137-A140 PolarHBondContact O-N 3.47Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.49Å
138V92.7Very high87.6Confident10 Ų1077.9 Ų77.96%0.06138%0.377CS..Hα-helixtrans-64.3-45.8177.1173.60000110.6V9 E13 A17 I134 A135 A140 A141 N142V9-V138 HydrophobicContact CB-CG1 4.23Å; V9-V138 HydrophobicContact CG1-CB 4.38Å; V9-V138 HydrophobicContact CG1-CG1 4.36Å; E13-V138 HydrophobicContact CB-CG1 4.12Å; A17-V138 HydrophobicContact CB-CG2 3.5Å; A17-V138 VanDerWaalsContact CB-CG2 3.5Å; I134-V138 WeakPolarHBondContact O-CG2 3.12Å; I134-V138 PolarHBondContact O-N 3.24Å; A135-V138 PolarHBondContact O-N 3.31Å; V138-A140 VanDerWaalsContact C-N 3.32Å; V138-A140 PolarHBondContact O-N 3.45Å; V138-A141 PolarHBondContact O-N 3.34Å; V138-N142 PolarHBondContact O-N 3.24Å
139A91.5Very high87.2Confident19 Ų1977 Ų7716%0.15737%0.373CS..Hα-helixtrans-61.8-38.5175.700000112.8V4 V9 A135 K143V4-A139 HydrophobicContact CB-CB 4.4Å; V4-A139 HydrophobicContact CG1-CB 3.72Å; V4-A139 HydrophobicContact CG2-CB 4.07Å; V9-A139 HydrophobicContact CG1-CB 3.99Å; A135-A139 PolarHBondContact O-N 3.29Å; A139-K143 WeakPolarHBondContact O-CG 3.39Å; A139-K143 PolarHBondContact O-N 3.03Å
140A90.6Very high86.7Confident36 Ų3670.7 Ų70.730%0.29836%0.355SS..Hα-helixtrans-69.3-32.7176.200000112.7G136 Q137 V138G136-A140 WeakPolarHBondContact O-CB 3.34Å; G136-A140 PolarHBondContact O-N 2.82Å; Q137-A140 PolarHBondContact O-N 3.47Å; V138-A140 VanDerWaalsContact C-N 3.32Å; V138-A140 PolarHBondContact O-N 3.45Å
141A89.2Confident86.3Confident50 Ų5072.9 Ų72.941%0.41337%0.365SS..Hα-helixtrans-70.7-41.1175.900000111.9Q137 V138 K143 K144Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.49Å; V138-A141 PolarHBondContact O-N 3.34Å; A141-K143 VanDerWaalsContact C-N 3.27Å; A141-K143 PolarHBondContact O-N 3.2Å; A141-K144 WeakPolarHBondContact O-CB 3.41Å; A141-K144 PolarHBondContact O-N 3.21Å; A141-K144 VanDerWaalsContact O-N 3.13Å
142N81.8Confident85.7Confident72 Ų7278.1 Ų78.139%0.38539%0.391SS..Hα-helixtrans-67.7-25.6-179.6-70.6-2.3000113.7E13 V138 K144E13-N142 PolarHBondContact OE2-ND2 3.17Å; E13-N142 PolarHBondContact OE2-OD1 3.23Å; V138-N142 PolarHBondContact O-N 3.24Å; N142-K144 PolarHBondContact O-N 3.35Å
143K76.4Confident85Confident136 Ų13680.5 Ų80.559%0.59140%0.402SS*.THydrogen-bonded Turntrans-75.2-10.2175.3-71.2179-176.8-175.90113.9A139 A141 H145A139-K143 WeakPolarHBondContact O-CG 3.39Å; A139-K143 PolarHBondContact O-N 3.03Å; A141-K143 VanDerWaalsContact C-N 3.27Å; A141-K143 PolarHBondContact O-N 3.2Å; K143-H145 VanDerWaalsContact C-N 3.29Å
144K65.3Low84.2Confident176 Ų17672.4 Ų72.477%0.76538%0.38SS*.THydrogen-bonded Turntrans-86.3-1.6-179.4-69.6-176174.5-171.40113.1A141 N142A141-K144 WeakPolarHBondContact O-CB 3.41Å; A141-K144 PolarHBondContact O-N 3.21Å; A141-K144 VanDerWaalsContact O-N 3.13Å; N142-K144 PolarHBondContact O-N 3.35Å
145H49.3Very low83.3Confident230 Ų23078.6 Ų78.6100%1.06541%0.412SS*.  trans-124.90174.6-66.1-63000109.1K143K143-H145 VanDerWaalsContact C-N 3.29Å

Retrieved 145 of 145 residues in 42.6 ms (Link to these results)