A0A061HVT8_CRIGR Loading...

Small ribosomal subunit protein eS19

AlphaFold DB (P17074), UniProt , Accession A0A061HVT8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113830751, Length 145 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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 48.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).