A0A3B3TIN4_9TELE Loading...

Integrator complex subunit 13

AlphaFold DB , UniProt , Accession A0A3B3TIN4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 701 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
1M47.3Very low86.3Confident132 Ų13241.6 Ų41.665%0.6521%0.206SC*.  01540-85.3-176.4164.100111M3 D256 H286M1-M3 PolarHBondContact O-N 3.25Å; M1-D256 HydrophobicContact CE-CB 4.04Å; M1-H286 VanDerWaalsContact CE-NE2 3.28Å; M1-H286 WeakPolarHBondContact CE-NE2 3.46Å
2K64.8Low87.3Confident166 Ų16638.2 Ų38.272%0.72219%0.188SC*.  trans-69.5121.4160-72.8-179.6178.8176.60107.7F4 S5K2-F4 PolarHBondContact O-N 2.92Å; K2-S5 PolarHBondContact O-N 3.46Å
3M73.9Confident88.2Confident86 Ų8635.2 Ų35.242%0.42417%0.174SC..THydrogen-bonded Turntrans-56.4-49.3-169.6-174.1175.6173.100112.8M1 S5 L139 K143M1-M3 PolarHBondContact O-N 3.25Å; M3-S5 PolarHBondContact O-N 3.41Å; M3-L139 HydrophobicContact CE-CD1 3.56Å; M3-L139 HydrophobicContact CE-CD2 3.52Å; M3-L139 HydrophobicContact CE-CG 3.45Å; M3-L139 VanDerWaalsContact CE-CG 3.45Å; M3-K143 HydrophobicContact CE-CD 4.35Å; M3-K143 HydrophobicContact CE-CG 3.76Å; M3-K143 HydrophobicContact SD-CG 4.24Å
4F89.6Confident88.9Confident18 Ų1832.7 Ų32.78%0.07916%0.161CC..THydrogen-bonded Turntrans-102.560.5177.2-52.8-67.3000111.2K2 H8 L139 Q140 K143 V154 A155K2-F4 PolarHBondContact O-N 2.92Å; F4-H8 AromaticContact CD1-CD2 3.62Å; F4-H8 AromaticContact CD1-CG 4Å; F4-H8 AromaticContact CD1-NE2 3.78Å; F4-H8 AromaticContact CE1-NE2 3.93Å; F4-L139 HydrophobicContact CE1-CB 4.44Å; F4-L139 HydrophobicContact CE1-CD2 4.11Å; F4-L139 HydrophobicContact CE1-CG 4.03Å; F4-L139 HydrophobicContact CZ-CG 4.27Å; F4-Q140 HydrophobicContact CD1-CG 3.69Å; F4-Q140 HydrophobicContact CE1-CB 4.34Å; F4-Q140 HydrophobicContact CE1-CG 3.5Å; F4-Q140 VanDerWaalsContact CE1-CG 3.5Å; F4-Q140 HydrophobicContact CG-CG 4.43Å; F4-Q140 HydrophobicContact CZ-CG 4.11Å; F4-K143 HydrophobicContact CE2-CB 4.26Å; F4-K143 HydrophobicContact CE2-CG 4.27Å; F4-K143 HydrophobicContact CZ-CB 4.14Å; F4-K143 HydrophobicContact CZ-CG 3.95Å; F4-V154 HydrophobicContact CD2-CG1 3.97Å; F4-V154 HydrophobicContact CE2-CB 4.48Å; F4-V154 HydrophobicContact CE2-CG1 3.71Å; F4-V154 HydrophobicContact CZ-CG1 4.12Å; F4-A155 HydrophobicContact CB-CB 4.1Å; F4-A155 VanDerWaalsContact CB-O 3.26Å; F4-A155 WeakPolarHBondContact CB-O 3.47Å
5S92.8Very high89.5Confident33 Ų3330.5 Ų30.523%0.23115%0.151CC..SBendtrans-76.3173.716872.30000111.1K2 M3 A7 H8K2-S5 PolarHBondContact O-N 3.46Å; M3-S5 PolarHBondContact O-N 3.41Å; S5-A7 PolarHBondContact O-N 3.04Å; S5-A7 PolarHBondContact OG-N 3.14Å; S5-H8 WeakPolarHBondContact O-CB 3.22Å; S5-H8 PolarHBondContact O-N 2.73Å
6V94.6Very high90Very high14 Ų1429.4 Ų29.49%0.08515%0.145CC..G310 helixtrans-49.1-31.2171.6166.20000112.8H8 R157 G158 R159 Q201 D203V6-H8 VanDerWaalsContact C-N 3.25Å; V6-H8 PolarHBondContact O-N 3.3Å; V6-R157 HydrophobicContact CG2-CB 4.18Å; V6-G158 WeakPolarHBondContact O-CA 3.45Å; V6-R159 HydrophobicContact CG1-CB 3.89Å; V6-Q201 HydrophobicContact CG2-CB 4.43Å; V6-Q201 HydrophobicContact CG2-CG 3.92Å; V6-D203 HydrophobicContact CG1-CB 3.79Å
7A94.7Very high90.4Very high8 Ų827.7 Ų27.77%0.06614%0.137CC..G310 helixtrans-73.8-6.1178.500000114.5S5 K74 F255S5-A7 PolarHBondContact O-N 3.04Å; S5-A7 PolarHBondContact OG-N 3.14Å; A7-K74 HydrophobicContact CB-CD 4.46Å; A7-K74 WeakPolarHBondContact O-CD 3Å; A7-F255 HydrophobicContact CB-CD1 3.8Å; A7-F255 HydrophobicContact CB-CE1 3.85Å; A7-F255 WeakPolarHBondContact O-CE1 3.33Å
8H96Very high90.8Very high1 Ų126.8 Ų26.81%0.00513%0.133CC..G310 helixtrans-69.5-41.3178.7177.651.1000112.3F4 S5 V6 D73 L75 T137F4-H8 AromaticContact CD1-CD2 3.62Å; F4-H8 AromaticContact CD1-CG 4Å; F4-H8 AromaticContact CD1-NE2 3.78Å; F4-H8 AromaticContact CE1-NE2 3.93Å; S5-H8 WeakPolarHBondContact O-CB 3.22Å; S5-H8 PolarHBondContact O-N 2.73Å; V6-H8 VanDerWaalsContact C-N 3.25Å; V6-H8 PolarHBondContact O-N 3.3Å; H8-D73 PolarHBondContact ND1-O 2.76Å; H8-L75 PolarHBondContact O-N 3.19Å; H8-T137 PolarHBondContact NE2-OG1 3.14Å
9K97.9Very high91Very high0 Ų028.6 Ų28.60%014%0.139CC..EExtended strand (participates in β ladder)trans-119.5117.4179.1-71.6177.3170.7176.90109.7W91 L133 K135 T137 Q140 N156 G158 R159K9-W91 HydrophobicContact CB-CH2 3.64Å; K9-W91 HydrophobicContact CB-CZ2 4.06Å; K9-W91 HydrophobicContact CB-CZ3 4.1Å; K9-W91 HydrophobicContact CD-CH2 4.45Å; K9-W91 HydrophobicContact CD-CZ2 4.05Å; K9-W91 HydrophobicContact CG-CH2 3.93Å; K9-W91 HydrophobicContact CG-CZ2 4.01Å; K9-W91 HydrophobicContact CG-CZ3 4.18Å; K9-L133 HydrophobicContact CB-CD2 3.71Å; K9-L133 HydrophobicContact CD-CD2 3.96Å; K9-L133 HydrophobicContact CG-CD2 4.49Å; K9-L133 PolarHBondContact NZ-O 2.87Å; K9-K135 WeakPolarHBondContact CE-O 3.43Å; K9-K135 PolarHBondContact NZ-O 3.18Å; K9-T137 HydrophobicContact CD-CG2 4.36Å; K9-T137 HydrophobicContact CG-CG2 4.14Å; K9-Q140 VanDerWaalsContact CE-OE1 3.22Å; K9-Q140 VanDerWaalsContact NZ-OE1 3.12Å; K9-N156 PolarHBondContact NZ-OD1 3.12Å; K9-G158 CarbonylContact O-C 3.57Å; K9-G158 WeakPolarHBondContact O-CA 3.39Å; K9-R159 PolarHBondContact O-N 2.98Å
10T98.6Very high91.3Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-113.8128.2167.9-55.20000108.6F12 L75 V76 N77 R159 I161T10-F12 HydrophobicContact CG2-CE2 4.46Å; T10-L75 PolarHBondContact N-O 3.25Å; T10-V76 CarbonylContact O-C 3.58Å; T10-V76 VanDerWaalsContact O-CA 3.26Å; T10-V76 WeakPolarHBondContact O-CA 3.35Å; T10-N77 PolarHBondContact O-N 3.18Å; T10-R159 CarbonylContact C-O 3.58Å; T10-R159 WeakPolarHBondContact CA-O 3.48Å; T10-I161 HydrophobicContact CG2-CD1 3.72Å; T10-I161 HydrophobicContact CG2-CG1 4.1Å
11V98.8Very high91.6Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-108121.3170.7-169.40000108.2V13 N77 I79 W91 A129 A132 L133 R159 I160 I161V11-V13 HydrophobicContact CG1-CG2 4.23Å; V11-N77 CarbonylContact C-O 3.59Å; V11-N77 VanDerWaalsContact CA-O 3.24Å; V11-N77 WeakPolarHBondContact CA-O 3.39Å; V11-N77 HydrophobicContact CG1-CB 4.33Å; V11-N77 HydrophobicContact CG2-CB 4.31Å; V11-I79 HydrophobicContact CG1-CD1 3.65Å; V11-I79 HydrophobicContact CG1-CG1 3.94Å; V11-W91 HydrophobicContact CG2-CH2 3.77Å; V11-W91 HydrophobicContact CG2-CZ2 3.93Å; V11-A129 HydrophobicContact CB-CB 4.12Å; V11-A129 HydrophobicContact CG1-CB 3.57Å; V11-A132 HydrophobicContact CG2-CB 4.41Å; V11-L133 HydrophobicContact CG2-CD2 3.75Å; V11-L133 HydrophobicContact CG2-CG 3.95Å; V11-R159 PolarHBondContact N-O 2.95Å; V11-I160 CarbonylContact O-C 3.55Å; V11-I160 WeakPolarHBondContact O-CA 3.34Å; V11-I161 PolarHBondContact O-N 3.43Å
12F98.8Very high94Very high0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-85.9134.2163.9-87.5-78.3000108.9T10 Y62 V76 N77 Y78 I79 I161 L163 L247T10-F12 HydrophobicContact CG2-CE2 4.46Å; F12-Y62 AromaticContact CE2-CD1 3.58Å; F12-Y62 HydrophobicContact CE2-CD1 3.58Å; F12-Y62 AromaticContact CE2-CE1 3.86Å; F12-Y62 HydrophobicContact CE2-CE1 3.86Å; F12-Y62 HydrophobicContact CE2-CG 4.21Å; F12-Y62 AromaticContact CZ-CD1 3.54Å; F12-Y62 HydrophobicContact CZ-CD1 3.54Å; F12-Y62 HydrophobicContact CZ-CD2 4.14Å; F12-Y62 AromaticContact CZ-CE1 3.91Å; F12-Y62 HydrophobicContact CZ-CE1 3.91Å; F12-Y62 HydrophobicContact CZ-CE2 4.46Å; F12-Y62 AromaticContact CZ-CG 3.7Å; F12-Y62 HydrophobicContact CZ-CG 3.7Å; F12-V76 HydrophobicContact CD2-CG1 3.98Å; F12-N77 PolarHBondContact N-O 3.23Å; F12-Y78 HydrophobicContact CB-CD2 3.89Å; F12-Y78 HydrophobicContact CB-CE2 4.13Å; F12-Y78 HydrophobicContact CB-CG 4.16Å; F12-Y78 HydrophobicContact CD2-CD2 4.37Å; F12-Y78 HydrophobicContact CG-CD2 4.33Å; F12-Y78 HydrophobicContact CG-CE2 4.34Å; F12-I79 PolarHBondContact O-N 3.4Å; F12-I161 WeakPolarHBondContact CA-O 3.41Å; F12-I161 HydrophobicContact CD1-CB 3.91Å; F12-I161 HydrophobicContact CD1-CG2 4.01Å; F12-I161 HydrophobicContact CE1-CB 3.85Å; F12-I161 HydrophobicContact CE1-CD1 4.07Å; F12-I161 HydrophobicContact CE1-CG2 3.63Å; F12-I161 HydrophobicContact CE2-CD1 4.38Å; F12-I161 HydrophobicContact CZ-CB 4.48Å; F12-I161 HydrophobicContact CZ-CD1 3.86Å; F12-I161 HydrophobicContact CZ-CG2 4.44Å; F12-L163 HydrophobicContact CD1-CD1 4.38Å; F12-L163 HydrophobicContact CE1-CD1 4.41Å; F12-L247 HydrophobicContact CE1-CD2 4.4Å
13V98.8Very high95.5Very high0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans-122.6112169.3-170.90000106.8V11 I79 I122 L126 A129 I160 I161 C162 L163V11-V13 HydrophobicContact CG1-CG2 4.23Å; V13-I79 CarbonylContact C-O 3.59Å; V13-I79 WeakPolarHBondContact CA-O 3.26Å; V13-I122 HydrophobicContact CG1-CD1 3.64Å; V13-L126 HydrophobicContact CB-CD2 4.42Å; V13-L126 HydrophobicContact CG1-CD2 4.43Å; V13-L126 HydrophobicContact CG1-CG 4.49Å; V13-L126 HydrophobicContact CG2-CD2 4.31Å; V13-A129 HydrophobicContact CG2-CB 3.56Å; V13-I160 HydrophobicContact CG2-CG2 3.88Å; V13-I161 PolarHBondContact N-O 3.14Å; V13-C162 CarbonylContact O-C 3.54Å; V13-C162 VanDerWaalsContact O-CA 3.32Å; V13-C162 WeakPolarHBondContact O-CA 3.5Å; V13-L163 PolarHBondContact O-N 2.98Å
14V98.6Very high96.6Very high0 Ų014.5 Ų14.50%08%0.083CC..EExtended strand (participates in β ladder)trans-114.1127-177.9-169.90000109.8W52 A55 Y78 I79 V80 S81 L163V14-W52 HydrophobicContact CB-CZ3 4.04Å; V14-W52 HydrophobicContact CG1-CE3 3.78Å; V14-W52 HydrophobicContact CG1-CZ3 3.5Å; V14-A55 HydrophobicContact CG1-CB 3.85Å; V14-Y78 HydrophobicContact CB-CE1 4.32Å; V14-Y78 HydrophobicContact CG2-CE1 3.75Å; V14-Y78 WeakPolarHBondContact CG2-OH 3.46Å; V14-I79 PolarHBondContact N-O 3.43Å; V14-V80 WeakPolarHBondContact O-CA 3.38Å; V14-S81 PolarHBondContact O-N 2.97Å; V14-L163 HydrophobicContact CG1-CB 4.28Å; V14-L163 HydrophobicContact CG2-CB 4.31Å; V14-L163 HydrophobicContact CG2-CD1 4.05Å; V14-L163 HydrophobicContact CG2-CG 4.34Å
15D97.7Very high96.9Very high0 Ų018.9 Ų18.90%010%0.099CC..EExtended strand (participates in β ladder)trans-72.3128.6-179.5-164.2-24000111.6C17 Y19 M20 W52 I122 L163 T164D15-C17 WeakPolarHBondContact OD1-CB 3.11Å; D15-C17 PolarHBondContact OD1-N 3.18Å; D15-C17 PolarHBondContact OD1-SG 3.31Å; D15-Y19 WeakPolarHBondContact OD2-CE2 3.36Å; D15-Y19 PolarHBondContact OD2-OH 2.93Å; D15-M20 HydrophobicContact CB-CE 4.15Å; D15-M20 HydrophobicContact CB-CG 3.85Å; D15-M20 HydrophobicContact CB-SD 4.16Å; D15-M20 WeakPolarHBondContact O-CG 3.37Å; D15-W52 VanDerWaalsContact O-CE3 3.27Å; D15-I122 HydrophobicContact CB-CD1 3.84Å; D15-L163 VanDerWaalsContact CB-O 3.24Å; D15-L163 WeakPolarHBondContact CB-O 3.45Å; D15-L163 PolarHBondContact N-O 2.92Å; D15-T164 VanDerWaalsContact OD2-CB 3.28Å; D15-T164 WeakPolarHBondContact OD2-CB 3.5Å; D15-T164 PolarHBondContact OD2-OG1 3.47Å
16H97.8Very high97Very high13 Ų1319.6 Ų19.66%0.0610%0.098CC..  trans-119.313.4177.6-166.4-99.7000112.2W52 V80 S81 D82 G109 P110 P111H16-W52 HydrophobicContact CB-CE3 4.35Å; H16-W52 HydrophobicContact CB-CZ3 4.05Å; H16-W52 AromaticContact CD2-CD2 3.8Å; H16-W52 AromaticContact CD2-CE2 3.65Å; H16-W52 AromaticContact CD2-CE3 3.81Å; H16-W52 AromaticContact CD2-CH2 3.59Å; H16-W52 AromaticContact CD2-CZ2 3.56Å; H16-W52 AromaticContact CD2-CZ3 3.7Å; H16-V80 HydrophobicContact CB-CG1 3.43Å; H16-V80 VanDerWaalsContact CB-CG1 3.43Å; H16-S81 PolarHBondContact N-O 2.98Å; H16-D82 HydrophobicContact CB-CB 4.21Å; H16-D82 IonicContact ND1-OD2 2.74Å; H16-G109 PolarHBondContact NE2-O 3.07Å; H16-P110 VanDerWaalsContact NE2-C 3.33Å; H16-P111 HydrophobicContact CB-CG 4.45Å; H16-P111 VanDerWaalsContact O-CB 3.3Å; H16-P111 WeakPolarHBondContact O-CB 3.45Å
17C96.7Very high96.9Very high0 Ų025.5 Ų25.50%013%0.125CC..SBendtrans-58.9157.3174.3-61.20000112D15 Y19 M20 C120D15-C17 WeakPolarHBondContact OD1-CB 3.11Å; D15-C17 PolarHBondContact OD1-N 3.18Å; D15-C17 PolarHBondContact OD1-SG 3.31Å; C17-Y19 HydrophobicContact CB-CD1 3.78Å; C17-Y19 HydrophobicContact CB-CD2 4.45Å; C17-Y19 HydrophobicContact CB-CE1 3.23Å; C17-Y19 HydrophobicContact CB-CE2 4.01Å; C17-Y19 HydrophobicContact CB-CG 4.37Å; C17-Y19 PolarHBondContact O-N 3.01Å; C17-M20 WeakPolarHBondContact O-CB 3.3Å; C17-M20 PolarHBondContact O-N 3.38Å; C17-C120 HydrophobicContact CB-CB 3.98Å; C17-C120 WeakPolarHBondContact SG-CB 3.36Å
18P96.6Very high96.7Very high11 Ų1127.5 Ų27.57%0.07114%0.136CC..G310 helixtrans-51.3-34.1-174.7-31.736.4000115.9M20 A21 N112 E115 P117P18-M20 VanDerWaalsContact C-N 3.25Å; P18-M20 PolarHBondContact O-N 3.05Å; P18-A21 VanDerWaalsContact O-CB 3.31Å; P18-A21 WeakPolarHBondContact O-CB 3.35Å; P18-A21 PolarHBondContact O-N 3.08Å; P18-A21 VanDerWaalsContact O-N 3.17Å; P18-N112 WeakPolarHBondContact CB-O 3.32Å; P18-E115 HydrophobicContact CG-CB 3.98Å; P18-E115 HydrophobicContact CG-CG 4.29Å; P18-E115 WeakPolarHBondContact CG-O 3.33Å; P18-P117 HydrophobicContact CG-CG 4.4Å
19Y95.1Very high96.3Very high61 Ų6135.6 Ų35.624%0.23917%0.174CC..G310 helixtrans-66.7-22.9177.951.5-99.7000113.6D15 C17 A21 E22 N165D15-Y19 WeakPolarHBondContact OD2-CE2 3.36Å; D15-Y19 PolarHBondContact OD2-OH 2.93Å; C17-Y19 HydrophobicContact CB-CD1 3.78Å; C17-Y19 HydrophobicContact CB-CD2 4.45Å; C17-Y19 HydrophobicContact CB-CE1 3.23Å; C17-Y19 HydrophobicContact CB-CE2 4.01Å; C17-Y19 HydrophobicContact CB-CG 4.37Å; C17-Y19 PolarHBondContact O-N 3.01Å; Y19-A21 PolarHBondContact O-N 3.19Å; Y19-E22 VanDerWaalsContact O-CB 3.25Å; Y19-E22 WeakPolarHBondContact O-CB 3.41Å; Y19-E22 PolarHBondContact O-N 3.2Å; Y19-N165 HydrophobicContact CD2-CB 3.81Å; Y19-N165 HydrophobicContact CE2-CB 3.95Å
20M97.6Very high95.5Very high0 Ų039.6 Ų39.60%020%0.201CC..G310 helixtrans-71.5-11.6175.2-65.2-67.3-7000112.8D15 C17 P18 E22 L51 W52 A55 P111 N165D15-M20 HydrophobicContact CB-CE 4.15Å; D15-M20 HydrophobicContact CB-CG 3.85Å; D15-M20 HydrophobicContact CB-SD 4.16Å; D15-M20 WeakPolarHBondContact O-CG 3.37Å; C17-M20 WeakPolarHBondContact O-CB 3.3Å; C17-M20 PolarHBondContact O-N 3.38Å; P18-M20 VanDerWaalsContact C-N 3.25Å; P18-M20 PolarHBondContact O-N 3.05Å; M20-E22 PolarHBondContact O-N 3.34Å; M20-L51 HydrophobicContact CE-CB 4.19Å; M20-L51 PolarHBondContact O-N 3.2Å; M20-L51 HydrophobicContact SD-CB 4.21Å; M20-W52 HydrophobicContact CB-CB 4.17Å; M20-W52 WeakPolarHBondContact O-CB 3.35Å; M20-W52 PolarHBondContact O-N 3.15Å; M20-A55 HydrophobicContact CE-CB 4.39Å; M20-P111 HydrophobicContact CB-CG 4.03Å; M20-N165 HydrophobicContact SD-CB 3.96Å
21A97.4Very high94.5Very high28 Ų2842 Ų4223%0.23121%0.214CC..G310 helixtrans-71.9-12.1167.100000113.6P18 Y19 S50 P111 P113P18-A21 VanDerWaalsContact O-CB 3.31Å; P18-A21 WeakPolarHBondContact O-CB 3.35Å; P18-A21 PolarHBondContact O-N 3.08Å; P18-A21 VanDerWaalsContact O-N 3.17Å; Y19-A21 PolarHBondContact O-N 3.19Å; A21-S50 WeakPolarHBondContact O-CB 3.31Å; A21-P111 HydrophobicContact CB-CB 4.15Å; A21-P113 HydrophobicContact CB-CB 4.33Å; A21-P113 HydrophobicContact CB-CG 3.76Å
22E96.6Very high92.8Very high68 Ų6847.9 Ų47.932%0.31825%0.25SC..SBendtrans-58142.3-178.4-179.1166.6-162.700111.9Y19 M20 S24 R25 S50 L51 P211Y19-E22 VanDerWaalsContact O-CB 3.25Å; Y19-E22 WeakPolarHBondContact O-CB 3.41Å; Y19-E22 PolarHBondContact O-N 3.2Å; M20-E22 PolarHBondContact O-N 3.34Å; E22-S24 PolarHBondContact O-N 2.68Å; E22-R25 IonicContact OE1-CZ 3.85Å; E22-R25 IonicContact OE1-NE 3.09Å; E22-R25 IonicContact OE1-NH2 2.74Å; E22-R25 PolarHBondContact OE1-NH2 3.04Å; E22-S50 CarbonylContact O-C 3.55Å; E22-S50 WeakPolarHBondContact O-CA 3.4Å; E22-L51 HydrophobicContact CB-CD1 4.29Å; E22-L51 HydrophobicContact CB-CG 4.39Å; E22-L51 PolarHBondContact O-N 3.48Å; E22-P211 HydrophobicContact CG-CG 4.12Å
23S97.2Very high91Very high48 Ų4851.9 Ų51.934%0.33627%0.271SS..EExtended strand (participates in β ladder)trans-60.5129.1173.9178.90000111.4R25 S48S23-R25 PolarHBondContact O-N 3.17Å; S23-R25 PolarHBondContact OG-N 3Å; S23-R25 VanDerWaalsContact OG-N 3.14Å; S23-S48 WeakPolarHBondContact OG-CB 3.46Å
24S96.8Very high88.9Confident2 Ų257.3 Ų57.31%0.01430%0.304CS..EExtended strand (participates in β ladder)trans-58.8-14.4167.960.60000113.8E22 Q26 K49 Q212E22-S24 PolarHBondContact O-N 2.68Å; S24-Q26 PolarHBondContact O-N 2.67Å; S24-Q26 PolarHBondContact OG-N 3.44Å; S24-K49 WeakPolarHBondContact CB-O 3.47Å; S24-K49 PolarHBondContact N-O 2.85Å; S24-K49 PolarHBondContact OG-O 3.39Å; S24-Q212 PolarHBondContact O-N 2.74Å
25R96.4Very high86.7Confident110 Ų11067.8 Ų67.842%0.41535%0.349SS..EExtended strand (participates in β ladder)trans5710.3-173.6-55.8174.3-164.2171.58114E22 S23 P211 Q212 E214E22-R25 IonicContact OE1-CZ 3.85Å; E22-R25 IonicContact OE1-NE 3.09Å; E22-R25 IonicContact OE1-NH2 2.74Å; E22-R25 PolarHBondContact OE1-NH2 3.04Å; S23-R25 PolarHBondContact O-N 3.17Å; S23-R25 PolarHBondContact OG-N 3Å; S23-R25 VanDerWaalsContact OG-N 3.14Å; R25-P211 HydrophobicContact CG-CB 4.17Å; R25-Q212 HydrophobicContact CB-CB 4.36Å; R25-Q212 WeakPolarHBondContact CD-O 3.25Å; R25-E214 IonicContact CZ-OE1 2.68Å; R25-E214 IonicContact NH1-OE1 3.1Å; R25-E214 PolarHBondContact NH1-OE1 2.88Å; R25-E214 IonicContact NH2-OE1 3.98Å; R25-E214 PolarHBondContact NH2-OE1 3.27Å; R25-E214 IonicContact NH2-OE2 2.67Å
26Q94.1Very high84.6Confident48 Ų4873.1 Ų73.122%0.22439%0.386CS..EExtended strand (participates in β ladder)trans-86.4111.3167.6-171172.3-11.800109.5S24 S48 Q212S24-Q26 PolarHBondContact O-N 2.67Å; S24-Q26 PolarHBondContact OG-N 3.44Å; Q26-S48 WeakPolarHBondContact O-CA 3.38Å; Q26-S48 PolarHBondContact O-OG 3.36Å; Q26-Q212 HydrophobicContact CB-CG 4.36Å; Q26-Q212 VanDerWaalsContact CD-NE2 3.34Å; Q26-Q212 VanDerWaalsContact OE1-NE2 3.11Å
27Q92.8Very high82.9Confident138 Ų13878.4 Ų78.465%0.64541%0.406SS*.EExtended strand (participates in β ladder)trans-66.5139.6176.2-71.8-179.4-11.500111.8P46 V47Q27-P46 HydrophobicContact CB-CB 4.11Å; Q27-P46 HydrophobicContact CG-CB 4.3Å; Q27-P46 HydrophobicContact CG-CG 4.28Å; Q27-V47 CarbonylContact C-O 3.58Å
28V90.5Very high81.1Confident50 Ų5082.4 Ų82.430%0.30344%0.439SS..EExtended strand (participates in β ladder)trans-122.9117.4174-177.30000107.2C30 P46 V47 K49V28-C30 PolarHBondContact O-N 2.69Å; V28-P46 WeakPolarHBondContact O-CA 3.48Å; V28-V47 HydrophobicContact CB-CG2 4.43Å; V28-V47 WeakPolarHBondContact CB-O 3.45Å; V28-V47 PolarHBondContact N-O 2.74Å; V28-V47 PolarHBondContact O-N 2.99Å; V28-V47 VanDerWaalsContact O-N 3.14Å; V28-K49 HydrophobicContact CG2-CG 4.41Å
29E87.6Confident79.2Confident171 Ų17191.6 Ų91.680%0.79948%0.481SS*.  trans-79.7106.1173.4-66.4-178.2172.300109.1
30C81.4Confident78.1Confident83 Ų8392.4 Ų92.456%0.56151%0.507SS*.  trans-86.1-13.2175.1-64.30000113.2V28 V32V28-C30 PolarHBondContact O-N 2.69Å; C30-V32 PolarHBondContact O-N 3.2Å
31D77Confident76.9Confident50 Ų5096.3 Ų96.327%0.26753%0.531SS..  trans-95.889.4-172.9-163.316.7000111.9L33 P43 L44D31-L33 PolarHBondContact O-N 3.14Å; D31-L33 WeakPolarHBondContact OD1-CG 3.5Å; D31-L33 WeakPolarHBondContact OD2-CD1 3.5Å; D31-P43 WeakPolarHBondContact OD2-CA 3.47Å; D31-P43 WeakPolarHBondContact OD2-CB 3.21Å; D31-L44 HydrophobicContact CB-CB 4.12Å; D31-L44 PolarHBondContact OD2-N 2.93Å
32V64.1Low75.8Confident125 Ų125102.1 Ų102.176%0.75856%0.557SS**  trans-82.657.2-177.7-164.80000111.2C30 T34C30-V32 PolarHBondContact O-N 3.2Å; V32-T34 PolarHBondContact O-N 2.75Å
33L60.1Low74.9Confident84 Ų84102.4 Ų102.444%0.4457%0.565SS.*  trans-71.696.8173.4-71.8176.4000110.5D31 V41D31-L33 PolarHBondContact O-N 3.14Å; D31-L33 WeakPolarHBondContact OD1-CG 3.5Å; D31-L33 WeakPolarHBondContact OD2-CD1 3.5Å; L33-V41 HydrophobicContact CD1-CG1 4.36Å
34T55.3Low74.3Confident113 Ų113106.2 Ų106.269%0.69358%0.58SS**  trans-53.1149.117156.30000111.8V32 S36V32-T34 PolarHBondContact O-N 2.75Å; T34-S36 PolarHBondContact O-N 3.42Å
35K52.9Low73.8Confident221 Ų221110 Ų11096%0.96161%0.612SS**SBendtrans-58.54.4-164.4-62175.7178.3175.70117.5
36S53.4Low73.5Confident111 Ų111107.5 Ų107.578%0.77661%0.61SS**  trans-101.783.9179.1170.80000110.7T34T34-S36 PolarHBondContact O-N 3.42Å
37R60.8Low73.5Confident125 Ų125109.1 Ų109.147%0.47262%0.623SS.*PPolyproline II helixtrans-92.8129.6173-109.6-175.6-172.2-167.4-2.7112.8V41R37-V41 PolarHBondContact NH1-O 3.14Å; R37-V41 PolarHBondContact NH2-O 3.34Å; R37-V41 VanDerWaalsContact NH2-O 3.14Å
38A59.4Low73.6Confident84 Ų84104.8 Ų104.869%0.69461%0.608SS**PPolyproline II helixtrans-66.4146.4143.300000108.9
39Q57.6Low73.9Confident204 Ų204105.9 Ų105.995%0.95361%0.609SS**THydrogen-bonded Turntrans-66.3133.9178.5-67.9172.8-40.400110.5
40G70.2Confident74.4Confident77 Ų7798.7 Ų98.779%0.79458%0.577SS**THydrogen-bonded Turntrans124.7-9.5166.800000118.1
41V72.7Confident75.2Confident83 Ų8394.8 Ų94.850%0.50355%0.551SS.*PPolyproline II helixtrans-82.2141.4178.7-175.30000111.2L33 R37L33-V41 HydrophobicContact CD1-CG1 4.36Å; R37-V41 PolarHBondContact NH1-O 3.14Å; R37-V41 PolarHBondContact NH2-O 3.34Å; R37-V41 VanDerWaalsContact NH2-O 3.14Å
42I75.3Confident76.3Confident150 Ų15093 Ų9377%0.76954%0.54SS*.PPolyproline II helixtrans-100.1128.9171.2-59.6176.7000107.6
43P77.2Confident77.9Confident74 Ų7489.4 Ų89.448%0.48152%0.518SS..PPolyproline II helixtrans-71.5153.7178.332.3-33.6000111.4D31D31-P43 WeakPolarHBondContact OD2-CA 3.47Å; D31-P43 WeakPolarHBondContact OD2-CB 3.21Å
44L84.1Confident79.7Confident127 Ų12785.5 Ų85.567%0.66550%0.498SS*.PPolyproline II helixtrans-66.8145.1173.1-65.3169.9000110.7D31D31-L44 HydrophobicContact CB-CB 4.12Å; D31-L44 PolarHBondContact OD2-N 2.93Å
45A87Confident81.8Confident82 Ų8280.1 Ų80.168%0.67847%0.465SS*.PPolyproline II helixtrans-65.3138.917500000110.5
46P89.7Confident84Confident58 Ų5870.2 Ų70.238%0.37742%0.423SS..PPolyproline II helixtrans-65.3144.2175.928.4-34.6000110.7Q27 V28Q27-P46 HydrophobicContact CB-CB 4.11Å; Q27-P46 HydrophobicContact CG-CB 4.3Å; Q27-P46 HydrophobicContact CG-CG 4.28Å; V28-P46 WeakPolarHBondContact O-CA 3.48Å
47V93.9Very high86Confident82 Ų8269 Ų6950%0.49741%0.405SS..EExtended strand (participates in β ladder)trans-105.9161.8178.2-63.20000110.8Q27 V28Q27-V47 CarbonylContact C-O 3.58Å; V28-V47 HydrophobicContact CB-CG2 4.43Å; V28-V47 WeakPolarHBondContact CB-O 3.45Å; V28-V47 PolarHBondContact N-O 2.74Å; V28-V47 PolarHBondContact O-N 2.99Å; V28-V47 VanDerWaalsContact O-N 3.14Å
48S95.5Very high87.8Confident47 Ų4763.5 Ų63.533%0.32939%0.386SS..EExtended strand (participates in β ladder)trans-124.8141.5174-65.50000109.7S23 Q26S23-S48 WeakPolarHBondContact OG-CB 3.46Å; Q26-S48 WeakPolarHBondContact O-CA 3.38Å; Q26-S48 PolarHBondContact O-OG 3.36Å
49K97.4Very high89.7Confident73 Ų7359.5 Ų59.532%0.31735%0.353SS..EExtended strand (participates in β ladder)trans-76.2155.3175.1-54-170.5-171-170.30110.3S24 V28 T53 E57S24-K49 WeakPolarHBondContact CB-O 3.47Å; S24-K49 PolarHBondContact N-O 2.85Å; S24-K49 PolarHBondContact OG-O 3.39Å; V28-K49 HydrophobicContact CG2-CG 4.41Å; K49-T53 HydrophobicContact CB-CG2 4.1Å; K49-T53 HydrophobicContact CD-CG2 4.03Å; K49-T53 HydrophobicContact CG-CG2 4.37Å; K49-E57 VanDerWaalsContact CD-OE2 3.3Å; K49-E57 WeakPolarHBondContact CD-OE2 3.31Å; K49-E57 IonicContact NZ-OE1 3.93Å; K49-E57 PolarHBondContact NZ-OE1 2.9Å; K49-E57 IonicContact NZ-OE2 2.72Å; K49-E57 PolarHBondContact NZ-OE2 3.18Å
50S98.2Very high91.6Very high20 Ų2050.5 Ų50.514%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-76.6166.8171.165.60000112.2A21 E22 W52 T53 C54A21-S50 WeakPolarHBondContact O-CB 3.31Å; E22-S50 CarbonylContact O-C 3.55Å; E22-S50 WeakPolarHBondContact O-CA 3.4Å; S50-W52 VanDerWaalsContact C-N 3.29Å; S50-W52 PolarHBondContact O-N 2.92Å; S50-T53 PolarHBondContact O-N 3.11Å; S50-T53 PolarHBondContact OG-N 3.13Å; S50-T53 VanDerWaalsContact OG-N 3.11Å; S50-T53 PolarHBondContact OG-OG1 3.42Å; S50-T53 VanDerWaalsContact OG-OG1 3.04Å; S50-C54 PolarHBondContact O-N 3.1Å; S50-C54 PolarHBondContact O-SG 2.91Å
51L98.4Very high92.9Very high0 Ų049.9 Ų49.90%029%0.287CS..Hα-helixtrans-57.7-43.5172.1-57.2-175.8000111.1M20 E22 C54 A55 N165 I209 P211 A239M20-L51 HydrophobicContact CE-CB 4.19Å; M20-L51 PolarHBondContact O-N 3.2Å; M20-L51 HydrophobicContact SD-CB 4.21Å; E22-L51 HydrophobicContact CB-CD1 4.29Å; E22-L51 HydrophobicContact CB-CG 4.39Å; E22-L51 PolarHBondContact O-N 3.48Å; L51-C54 PolarHBondContact O-N 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.3Å; L51-A55 PolarHBondContact O-N 2.95Å; L51-N165 HydrophobicContact CD1-CB 4.37Å; L51-I209 HydrophobicContact CD2-CG2 4.27Å; L51-P211 HydrophobicContact CD1-CG 4.49Å; L51-P211 HydrophobicContact CD2-CG 4.16Å; L51-A239 HydrophobicContact CD2-CB 3.65Å
52W98.4Very high94.1Very high13 Ų1346 Ų465%0.04926%0.264CS..Hα-helixtrans-54.2-54.3172165.7-108000112.4V14 D15 H16 M20 S50 C54 A55 V56 V80 L105 G109 P111V14-W52 HydrophobicContact CB-CZ3 4.04Å; V14-W52 HydrophobicContact CG1-CE3 3.78Å; V14-W52 HydrophobicContact CG1-CZ3 3.5Å; D15-W52 VanDerWaalsContact O-CE3 3.27Å; H16-W52 HydrophobicContact CB-CE3 4.35Å; H16-W52 HydrophobicContact CB-CZ3 4.05Å; H16-W52 AromaticContact CD2-CD2 3.8Å; H16-W52 AromaticContact CD2-CE2 3.65Å; H16-W52 AromaticContact CD2-CE3 3.81Å; H16-W52 AromaticContact CD2-CH2 3.59Å; H16-W52 AromaticContact CD2-CZ2 3.56Å; H16-W52 AromaticContact CD2-CZ3 3.7Å; M20-W52 HydrophobicContact CB-CB 4.17Å; M20-W52 WeakPolarHBondContact O-CB 3.35Å; M20-W52 PolarHBondContact O-N 3.15Å; S50-W52 VanDerWaalsContact C-N 3.29Å; S50-W52 PolarHBondContact O-N 2.92Å; W52-C54 VanDerWaalsContact C-N 3.27Å; W52-C54 PolarHBondContact O-N 2.87Å; W52-A55 WeakPolarHBondContact O-CB 3.14Å; W52-A55 PolarHBondContact O-N 3.26Å; W52-V56 HydrophobicContact CD2-CG2 3.79Å; W52-V56 HydrophobicContact CE3-CG2 3.97Å; W52-V56 HydrophobicContact CH2-CG2 3.78Å; W52-V56 HydrophobicContact CZ2-CG2 3.57Å; W52-V56 HydrophobicContact CZ3-CG2 3.98Å; W52-V56 WeakPolarHBondContact O-CG2 3.21Å; W52-V56 PolarHBondContact O-N 2.88Å; W52-V80 HydrophobicContact CH2-CB 4.47Å; W52-V80 HydrophobicContact CH2-CG1 3.72Å; W52-V80 HydrophobicContact CH2-CG2 3.85Å; W52-V80 HydrophobicContact CZ3-CG1 3.87Å; W52-V80 HydrophobicContact CZ3-CG2 4.43Å; W52-L105 HydrophobicContact CH2-CD2 3.94Å; W52-L105 HydrophobicContact CZ2-CD2 4.03Å; W52-G109 PolarHBondContact NE1-O 3.15Å; W52-P111 HydrophobicContact CB-CG 3.72Å; W52-P111 HydrophobicContact CD2-CG 4.16Å; W52-P111 HydrophobicContact CG-CG 3.79Å
53T98.3Very high95.2Very high49 Ų4938.9 Ų38.930%0.30123%0.227SC..Hα-helixtrans-59.5-40.2-179.7-57.60000111.1K49 S50 E57K49-T53 HydrophobicContact CB-CG2 4.1Å; K49-T53 HydrophobicContact CD-CG2 4.03Å; K49-T53 HydrophobicContact CG-CG2 4.37Å; S50-T53 PolarHBondContact O-N 3.11Å; S50-T53 PolarHBondContact OG-N 3.13Å; S50-T53 VanDerWaalsContact OG-N 3.11Å; S50-T53 PolarHBondContact OG-OG1 3.42Å; S50-T53 VanDerWaalsContact OG-OG1 3.04Å; T53-E57 HydrophobicContact CG2-CG 4.39Å; T53-E57 WeakPolarHBondContact O-CB 3.35Å; T53-E57 VanDerWaalsContact O-CG 3.26Å; T53-E57 WeakPolarHBondContact O-CG 3.2Å; T53-E57 PolarHBondContact O-N 2.93Å
54C98.4Very high96.2Very high2 Ų237 Ų371%0.01421%0.21CC..Hα-helixtrans-64.1-42.1173.9-69.90000113S50 L51 W52 C58 A239 G240 L243S50-C54 PolarHBondContact O-N 3.1Å; S50-C54 PolarHBondContact O-SG 2.91Å; L51-C54 PolarHBondContact O-N 3.27Å; W52-C54 VanDerWaalsContact C-N 3.27Å; W52-C54 PolarHBondContact O-N 2.87Å; C54-C58 WeakPolarHBondContact O-CB 3.39Å; C54-C58 PolarHBondContact O-N 3.43Å; C54-C58 VanDerWaalsContact O-N 3.12Å; C54-C58 PolarHBondContact O-SG 3.05Å; C54-A239 HydrophobicContact CB-CB 4.36Å; C54-G240 PolarHBondContact SG-N 3.02Å; C54-G240 VanDerWaalsContact SG-N 3.4Å; C54-L243 HydrophobicContact CB-CD2 4.24Å
55A98.5Very high96.8Very high0 Ų031 Ų310%018%0.179CC..Hα-helixtrans-62.7-46178.400000111.9V14 M20 L51 W52 S59 L163 I209V14-A55 HydrophobicContact CG1-CB 3.85Å; M20-A55 HydrophobicContact CE-CB 4.39Å; L51-A55 WeakPolarHBondContact O-CB 3.3Å; L51-A55 PolarHBondContact O-N 2.95Å; W52-A55 WeakPolarHBondContact O-CB 3.14Å; W52-A55 PolarHBondContact O-N 3.26Å; A55-S59 WeakPolarHBondContact O-CB 3.41Å; A55-S59 PolarHBondContact O-N 3.04Å; A55-S59 PolarHBondContact O-OG 3.3Å; A55-L163 HydrophobicContact CB-CB 4.23Å; A55-L163 HydrophobicContact CB-CD1 4.04Å; A55-I209 HydrophobicContact CB-CD1 3.71Å
56V98.5Very high97.3Very high14 Ų1427.1 Ų27.19%0.08515%0.147CC..Hα-helixtrans-64-49.9177.21730000111.5W52 C58 S59 M60 L105W52-V56 HydrophobicContact CD2-CG2 3.79Å; W52-V56 HydrophobicContact CE3-CG2 3.97Å; W52-V56 HydrophobicContact CH2-CG2 3.78Å; W52-V56 HydrophobicContact CZ2-CG2 3.57Å; W52-V56 HydrophobicContact CZ3-CG2 3.98Å; W52-V56 WeakPolarHBondContact O-CG2 3.21Å; W52-V56 PolarHBondContact O-N 2.88Å; V56-C58 VanDerWaalsContact C-N 3.31Å; V56-C58 PolarHBondContact O-N 2.99Å; V56-S59 PolarHBondContact O-N 3.11Å; V56-S59 PolarHBondContact O-OG 2.86Å; V56-S59 VanDerWaalsContact O-OG 3.08Å; V56-M60 HydrophobicContact CG1-CG 4.19Å; V56-M60 WeakPolarHBondContact O-CB 3.33Å; V56-M60 VanDerWaalsContact O-CG 3.29Å; V56-M60 WeakPolarHBondContact O-CG 3.37Å; V56-M60 PolarHBondContact O-N 3.46Å; V56-L105 HydrophobicContact CG1-CD1 3.75Å; V56-L105 HydrophobicContact CG1-CD2 4.29Å; V56-L105 HydrophobicContact CG1-CG 4.48Å; V56-L105 HydrophobicContact CG2-CD2 4.09Å
57E97.3Very high97.6Very high85 Ų8525.7 Ų25.740%0.39714%0.135SC..Hα-helixtrans-57.1-44.1179.1-76.5178.8165.500112.3K49 T53 E61K49-E57 VanDerWaalsContact CD-OE2 3.3Å; K49-E57 WeakPolarHBondContact CD-OE2 3.31Å; K49-E57 IonicContact NZ-OE1 3.93Å; K49-E57 PolarHBondContact NZ-OE1 2.9Å; K49-E57 IonicContact NZ-OE2 2.72Å; K49-E57 PolarHBondContact NZ-OE2 3.18Å; T53-E57 HydrophobicContact CG2-CG 4.39Å; T53-E57 WeakPolarHBondContact O-CB 3.35Å; T53-E57 VanDerWaalsContact O-CG 3.26Å; T53-E57 WeakPolarHBondContact O-CG 3.2Å; T53-E57 PolarHBondContact O-N 2.93Å; E57-E61 WeakPolarHBondContact O-CB 3.45Å; E57-E61 PolarHBondContact O-N 3.39Å; E57-E61 VanDerWaalsContact O-N 3.09Å
58C97.9Very high97.7Very high10 Ų1024.8 Ų24.87%0.06813%0.128CC..Hα-helixtrans-74.8-33.9-175.7-59.90000112.8C54 V56 Y62 L243 A244 L247C54-C58 WeakPolarHBondContact O-CB 3.39Å; C54-C58 PolarHBondContact O-N 3.43Å; C54-C58 VanDerWaalsContact O-N 3.12Å; C54-C58 PolarHBondContact O-SG 3.05Å; V56-C58 VanDerWaalsContact C-N 3.31Å; V56-C58 PolarHBondContact O-N 2.99Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 3.23Å; C58-Y62 VanDerWaalsContact O-N 3.11Å; C58-L243 HydrophobicContact CB-CD2 4.24Å; C58-L243 HydrophobicContact CB-CG 4.05Å; C58-A244 WeakPolarHBondContact SG-CA 3.34Å; C58-A244 PolarHBondContact SG-N 3.46Å; C58-A244 VanDerWaalsContact SG-N 3.38Å; C58-L247 HydrophobicContact CB-CB 4.47Å; C58-L247 HydrophobicContact CB-CD2 3.85Å; C58-L247 WeakPolarHBondContact O-CD2 3.44Å
59S98.4Very high97.8Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-76.3-33.2175.851.90000112.7A55 V56 Y62 C63 Y78A55-S59 WeakPolarHBondContact O-CB 3.41Å; A55-S59 PolarHBondContact O-N 3.04Å; A55-S59 PolarHBondContact O-OG 3.3Å; V56-S59 PolarHBondContact O-N 3.11Å; V56-S59 PolarHBondContact O-OG 2.86Å; V56-S59 VanDerWaalsContact O-OG 3.08Å; S59-Y62 WeakPolarHBondContact O-CB 3.46Å; S59-Y62 PolarHBondContact O-N 3.12Å; S59-C63 PolarHBondContact O-N 3.02Å; S59-C63 PolarHBondContact O-SG 3.4Å; S59-Y78 PolarHBondContact OG-OH 3Å
60M98.1Very high97.7Very high14 Ų1420.9 Ų20.97%0.06911%0.105CC..Hα-helixtrans-69.5-36.7172.8-69.5-51.8-57.300112.3V56 C63 R64 Y78 T98 L101 M102 L105V56-M60 HydrophobicContact CG1-CG 4.19Å; V56-M60 WeakPolarHBondContact O-CB 3.33Å; V56-M60 VanDerWaalsContact O-CG 3.29Å; V56-M60 WeakPolarHBondContact O-CG 3.37Å; V56-M60 PolarHBondContact O-N 3.46Å; M60-C63 PolarHBondContact O-N 2.88Å; M60-R64 PolarHBondContact O-N 3.04Å; M60-Y78 HydrophobicContact SD-CD2 4.37Å; M60-Y78 HydrophobicContact SD-CE2 3.91Å; M60-T98 HydrophobicContact CE-CG2 3.88Å; M60-L101 HydrophobicContact CE-CB 3.62Å; M60-L101 HydrophobicContact CE-CD1 4.14Å; M60-L101 HydrophobicContact SD-CB 4.08Å; M60-L101 HydrophobicContact SD-CD1 4.42Å; M60-M102 HydrophobicContact CB-SD 4.34Å; M60-M102 HydrophobicContact CE-CG 4.1Å; M60-M102 HydrophobicContact CE-SD 4.28Å; M60-M102 HydrophobicContact CG-SD 3.8Å; M60-L105 HydrophobicContact CG-CD1 3.9Å; M60-L105 HydrophobicContact SD-CD1 3.7Å
61E97.7Very high97.3Very high64 Ų6423.1 Ų23.130%0.29912%0.119SC..Hα-helixtrans-66.6-37.8172.2-178.654.5-157.500112.2E57 C63 R64 I65E57-E61 WeakPolarHBondContact O-CB 3.45Å; E57-E61 PolarHBondContact O-N 3.39Å; E57-E61 VanDerWaalsContact O-N 3.09Å; E61-C63 VanDerWaalsContact C-N 3.34Å; E61-C63 PolarHBondContact O-N 2.68Å; E61-R64 VanDerWaalsContact CD-NE 3.34Å; E61-R64 PolarHBondContact O-N 2.73Å; E61-R64 IonicContact OE1-CZ 3.1Å; E61-R64 VanDerWaalsContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.41Å; E61-R64 PolarHBondContact OE1-NE 3.47Å; E61-R64 VanDerWaalsContact OE1-NE 3.1Å; E61-R64 IonicContact OE1-NH2 2.73Å; E61-R64 PolarHBondContact OE1-NH2 2.85Å; E61-R64 IonicContact OE2-CZ 3.39Å; E61-R64 IonicContact OE2-NE 2.63Å; E61-R64 PolarHBondContact OE2-NE 2.98Å; E61-R64 IonicContact OE2-NH2 3.08Å; E61-I65 HydrophobicContact CG-CD1 4.36Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.34Å; E61-I65 VanDerWaalsContact O-N 3.09Å
62Y98.4Very high96.6Very high2 Ų229.9 Ų29.91%0.00815%0.148CC..Hα-helixtrans-57.4-45.9169.4179.8-67.7000111.3F12 C58 S59 L66 I161 L247 L250 V251 H254 F255F12-Y62 AromaticContact CE2-CD1 3.58Å; F12-Y62 HydrophobicContact CE2-CD1 3.58Å; F12-Y62 AromaticContact CE2-CE1 3.86Å; F12-Y62 HydrophobicContact CE2-CE1 3.86Å; F12-Y62 HydrophobicContact CE2-CG 4.21Å; F12-Y62 AromaticContact CZ-CD1 3.54Å; F12-Y62 HydrophobicContact CZ-CD1 3.54Å; F12-Y62 HydrophobicContact CZ-CD2 4.14Å; F12-Y62 AromaticContact CZ-CE1 3.91Å; F12-Y62 HydrophobicContact CZ-CE1 3.91Å; F12-Y62 HydrophobicContact CZ-CE2 4.46Å; F12-Y62 AromaticContact CZ-CG 3.7Å; F12-Y62 HydrophobicContact CZ-CG 3.7Å; C58-Y62 WeakPolarHBondContact O-CB 3.36Å; C58-Y62 PolarHBondContact O-N 3.23Å; C58-Y62 VanDerWaalsContact O-N 3.11Å; S59-Y62 WeakPolarHBondContact O-CB 3.46Å; S59-Y62 PolarHBondContact O-N 3.12Å; Y62-L66 WeakPolarHBondContact O-CB 3.34Å; Y62-L66 PolarHBondContact O-N 3.46Å; Y62-L66 VanDerWaalsContact O-N 3.1Å; Y62-I161 HydrophobicContact CE1-CD1 4.31Å; Y62-I161 HydrophobicContact CE2-CD1 4Å; Y62-L247 HydrophobicContact CD2-CB 4.36Å; Y62-L247 HydrophobicContact CD2-CG 4.48Å; Y62-L247 WeakPolarHBondContact CD2-O 3.43Å; Y62-L250 HydrophobicContact CE2-CB 4.33Å; Y62-V251 HydrophobicContact CD1-CG2 4.22Å; Y62-V251 HydrophobicContact CD2-CB 3.55Å; Y62-V251 HydrophobicContact CD2-CG2 4.11Å; Y62-V251 HydrophobicContact CE1-CG2 4.13Å; Y62-V251 VanDerWaalsContact CE2-CA 3.47Å; Y62-V251 HydrophobicContact CE2-CB 3.53Å; Y62-V251 HydrophobicContact CE2-CG2 4.01Å; Y62-V251 HydrophobicContact CG-CB 4.05Å; Y62-V251 HydrophobicContact CG-CG2 4.18Å; Y62-H254 AromaticContact CE2-ND1 3.76Å; Y62-H254 AromaticContact CZ-ND1 3.68Å; Y62-H254 WeakPolarHBondContact OH-CB 3.29Å; Y62-H254 PolarHBondContact OH-ND1 3.44Å; Y62-F255 AromaticContact CE1-CE2 3.78Å; Y62-F255 HydrophobicContact CE1-CE2 3.78Å; Y62-F255 AromaticContact CZ-CE2 3.77Å; Y62-F255 WeakPolarHBondContact OH-CE2 3.13Å
63C98.1Very high96.1Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-66.6-38.2178.8-64.70000112.4S59 M60 E61 L66 F67 T98S59-C63 PolarHBondContact O-N 3.02Å; S59-C63 PolarHBondContact O-SG 3.4Å; M60-C63 PolarHBondContact O-N 2.88Å; E61-C63 VanDerWaalsContact C-N 3.34Å; E61-C63 PolarHBondContact O-N 2.68Å; C63-L66 WeakPolarHBondContact O-CB 3.38Å; C63-L66 PolarHBondContact O-N 2.82Å; C63-F67 HydrophobicContact CB-CE2 4.24Å; C63-F67 HydrophobicContact CB-CZ 4.49Å; C63-F67 WeakPolarHBondContact O-CD2 3.38Å; C63-F67 VanDerWaalsContact O-CG 3.31Å; C63-F67 WeakPolarHBondContact O-CG 3.49Å; C63-F67 PolarHBondContact O-N 2.85Å; C63-T98 HydrophobicContact CB-CG2 4.29Å
64R97.5Very high95.9Very high34 Ų3431.2 Ų31.213%0.12815%0.154CC..Hα-helixtrans-59.2-51.1174.9-171.7-16165.775.6-0.6111.5M60 E61 L66 F67 D68 T98 S339 P340M60-R64 PolarHBondContact O-N 3.04Å; E61-R64 VanDerWaalsContact CD-NE 3.34Å; E61-R64 PolarHBondContact O-N 2.73Å; E61-R64 IonicContact OE1-CZ 3.1Å; E61-R64 VanDerWaalsContact OE1-CZ 3.29Å; E61-R64 IonicContact OE1-NE 3.41Å; E61-R64 PolarHBondContact OE1-NE 3.47Å; E61-R64 VanDerWaalsContact OE1-NE 3.1Å; E61-R64 IonicContact OE1-NH2 2.73Å; E61-R64 PolarHBondContact OE1-NH2 2.85Å; E61-R64 IonicContact OE2-CZ 3.39Å; E61-R64 IonicContact OE2-NE 2.63Å; E61-R64 PolarHBondContact OE2-NE 2.98Å; E61-R64 IonicContact OE2-NH2 3.08Å; R64-L66 VanDerWaalsContact C-N 3.26Å; R64-L66 PolarHBondContact O-N 2.89Å; R64-F67 PolarHBondContact O-N 3.28Å; R64-D68 IonicContact CZ-OD2 3.94Å; R64-D68 IonicContact NH1-OD2 2.67Å; R64-D68 PolarHBondContact NH1-OD2 2.86Å; R64-D68 PolarHBondContact O-N 3.1Å; R64-D68 VanDerWaalsContact O-N 3.07Å; R64-T98 HydrophobicContact CB-CG2 4.39Å; R64-S339 PolarHBondContact NH1-OG 2.92Å; R64-P340 PolarHBondContact NH2-O 2.94Å
65I97.7Very high95.9Very high2 Ų231.6 Ų31.61%0.0116%0.156CC..Hα-helixtrans-58-41.9177.5-67.1163.2000110.9E61 V69 V251 L257 L284E61-I65 HydrophobicContact CG-CD1 4.36Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.34Å; E61-I65 VanDerWaalsContact O-N 3.09Å; I65-V69 WeakPolarHBondContact O-CG2 3.24Å; I65-V69 PolarHBondContact O-N 3.37Å; I65-V251 HydrophobicContact CB-CG1 4.49Å; I65-V251 HydrophobicContact CB-CG2 4.45Å; I65-V251 HydrophobicContact CD1-CG1 4.15Å; I65-V251 HydrophobicContact CG2-CG1 3.98Å; I65-V251 HydrophobicContact CG2-CG2 4.08Å; I65-L257 HydrophobicContact CG2-CD1 3.96Å; I65-L284 HydrophobicContact CD1-CD1 4.07Å; I65-L284 HydrophobicContact CG2-CB 4.43Å; I65-L284 HydrophobicContact CG2-CD1 3.8Å
66L96.9Very high95.8Very high1 Ų131.6 Ų31.61%0.00516%0.156CC..Hα-helixtrans-62.9-50.9178.6175.656.8000112.5Y62 C63 R64 D68 V69 Y70 K74 V76 F255Y62-L66 WeakPolarHBondContact O-CB 3.34Å; Y62-L66 PolarHBondContact O-N 3.46Å; Y62-L66 VanDerWaalsContact O-N 3.1Å; C63-L66 WeakPolarHBondContact O-CB 3.38Å; C63-L66 PolarHBondContact O-N 2.82Å; R64-L66 VanDerWaalsContact C-N 3.26Å; R64-L66 PolarHBondContact O-N 2.89Å; L66-D68 PolarHBondContact O-N 3.45Å; L66-V69 PolarHBondContact O-N 3.42Å; L66-Y70 HydrophobicContact CD1-CD2 3.86Å; L66-Y70 HydrophobicContact CD1-CG 4.46Å; L66-Y70 WeakPolarHBondContact O-CA 3.28Å; L66-Y70 PolarHBondContact O-N 2.88Å; L66-K74 HydrophobicContact CD1-CB 3.84Å; L66-K74 HydrophobicContact CD1-CG 4.31Å; L66-V76 HydrophobicContact CD2-CG2 3.47Å; L66-V76 VanDerWaalsContact CD2-CG2 3.47Å; L66-F255 HydrophobicContact CD1-CD1 3.73Å; L66-F255 HydrophobicContact CD1-CD2 3.86Å; L66-F255 HydrophobicContact CD1-CE1 3.47Å; L66-F255 VanDerWaalsContact CD1-CE1 3.47Å; L66-F255 HydrophobicContact CD1-CE2 3.57Å; L66-F255 HydrophobicContact CD1-CG 3.94Å; L66-F255 HydrophobicContact CD1-CZ 3.39Å; L66-F255 HydrophobicContact CD2-CE1 4.23Å; L66-F255 HydrophobicContact CD2-CE2 3.8Å; L66-F255 HydrophobicContact CD2-CZ 3.47Å; L66-F255 VanDerWaalsContact CD2-CZ 3.47Å; L66-F255 HydrophobicContact CG-CE1 4.5Å; L66-F255 HydrophobicContact CG-CE2 4.16Å; L66-F255 HydrophobicContact CG-CZ 4.04Å
67F96.5Very high95.8Very high27 Ų2731.2 Ų31.212%0.11815%0.153CC..Hα-helixtrans-69.6-32.6-176.1-61.6-25.2000112.8C63 R64 Y70 P71 V76 Q96 T98C63-F67 HydrophobicContact CB-CE2 4.24Å; C63-F67 HydrophobicContact CB-CZ 4.49Å; C63-F67 WeakPolarHBondContact O-CD2 3.38Å; C63-F67 VanDerWaalsContact O-CG 3.31Å; C63-F67 WeakPolarHBondContact O-CG 3.49Å; C63-F67 PolarHBondContact O-N 2.85Å; R64-F67 PolarHBondContact O-N 3.28Å; F67-Y70 CarbonylContact O-C 3.53Å; F67-P71 WeakPolarHBondContact O-CA 3.4Å; F67-V76 HydrophobicContact CE1-CB 4.39Å; F67-V76 HydrophobicContact CE1-CG2 3.93Å; F67-V76 HydrophobicContact CZ-CB 4.22Å; F67-V76 HydrophobicContact CZ-CG2 4.12Å; F67-Q96 HydrophobicContact CE1-CB 4.05Å; F67-Q96 WeakPolarHBondContact CE2-O 3.29Å; F67-Q96 HydrophobicContact CZ-CB 4.08Å; F67-T98 HydrophobicContact CD2-CG2 3.93Å; F67-T98 HydrophobicContact CE2-CG2 4.09Å
68D96.4Very high95.9Very high64 Ų6427.1 Ų27.134%0.34213%0.134SC..Hα-helixtrans-61.7-46.3172.8-75.5-15.7000112R64 L66 R337 S339R64-D68 IonicContact CZ-OD2 3.94Å; R64-D68 IonicContact NH1-OD2 2.67Å; R64-D68 PolarHBondContact NH1-OD2 2.86Å; R64-D68 PolarHBondContact O-N 3.1Å; R64-D68 VanDerWaalsContact O-N 3.07Å; L66-D68 PolarHBondContact O-N 3.45Å; D68-R337 WeakPolarHBondContact O-CD 3.39Å; D68-S339 WeakPolarHBondContact OD2-CB 3.33Å; D68-S339 PolarHBondContact OD2-OG 2.99Å
69V97Very high95.9Very high10 Ų1026.7 Ų26.76%0.06113%0.131CC..Hα-helixtrans-80.4-37.3-177.6-177.90000111.7I65 L66 L257I65-V69 WeakPolarHBondContact O-CG2 3.24Å; I65-V69 PolarHBondContact O-N 3.37Å; L66-V69 PolarHBondContact O-N 3.42Å; V69-L257 HydrophobicContact CB-CD2 4.44Å; V69-L257 HydrophobicContact CG1-CD2 3.86Å; V69-L257 HydrophobicContact CG2-CD2 4.43Å
70Y94.9Very high95.9Very high28 Ų2826.7 Ų26.711%0.1113%0.131CC..  trans-127.976.9-176.9-58.7-85.4000111.7L66 F67 K72 K74 F255 L257 H286L66-Y70 HydrophobicContact CD1-CD2 3.86Å; L66-Y70 HydrophobicContact CD1-CG 4.46Å; L66-Y70 WeakPolarHBondContact O-CA 3.28Å; L66-Y70 PolarHBondContact O-N 2.88Å; F67-Y70 CarbonylContact O-C 3.53Å; Y70-K72 PolarHBondContact O-N 3.42Å; Y70-K74 HydrophobicContact CD1-CG 3.81Å; Y70-K74 HydrophobicContact CD2-CG 4.19Å; Y70-K74 HydrophobicContact CG-CB 4.46Å; Y70-K74 HydrophobicContact CG-CG 3.6Å; Y70-F255 HydrophobicContact CE2-CB 3.8Å; Y70-F255 HydrophobicContact CE2-CD1 4.46Å; Y70-F255 HydrophobicContact CE2-CG 4.38Å; Y70-F255 PolarHBondContact OH-O 3.1Å; Y70-L257 HydrophobicContact CE2-CD2 3.83Å; Y70-H286 AromaticContact CZ-CD2 3.89Å; Y70-H286 PolarHBondContact OH-CD2 3.45Å
71P89.6Confident95.9Very high67 Ų6726 Ų2644%0.43513%0.128SC..SBendtrans-69.61.2176.229.5-37.3000113.7F67F67-P71 WeakPolarHBondContact O-CA 3.4Å
72K84.9Confident95.8Very high141 Ų14123.5 Ų23.561%0.61312%0.116SC*.SBendtrans-146.1156.6-179.8-60.6-173.8-177.6-177.70109.9Y70 K74Y70-K72 PolarHBondContact O-N 3.42Å; K72-K74 PolarHBondContact O-N 2.85Å
73D87.3Confident95.5Very high75 Ų7526 Ų2640%0.40113%0.134SC..SBendtrans63.1-5.2168.6-45.7-31.6000117.6H8 L139H8-D73 PolarHBondContact ND1-O 2.76Å; D73-L139 HydrophobicContact CB-CD2 3.9Å; D73-L139 WeakPolarHBondContact OD1-CD2 3.2Å
74K94.4Very high95.3Very high15 Ų1531.5 Ų31.57%0.06516%0.16CC..  trans-114.8115.9168.7-53.1-59.7171.1-169.10107.9A7 L66 Y70 K72 F255A7-K74 HydrophobicContact CB-CD 4.46Å; A7-K74 WeakPolarHBondContact O-CD 3Å; L66-K74 HydrophobicContact CD1-CB 3.84Å; L66-K74 HydrophobicContact CD1-CG 4.31Å; Y70-K74 HydrophobicContact CD1-CG 3.81Å; Y70-K74 HydrophobicContact CD2-CG 4.19Å; Y70-K74 HydrophobicContact CG-CB 4.46Å; Y70-K74 HydrophobicContact CG-CG 3.6Å; K72-K74 PolarHBondContact O-N 2.85Å; K74-F255 HydrophobicContact CB-CE1 4.14Å; K74-F255 HydrophobicContact CD-CD1 4.16Å; K74-F255 HydrophobicContact CD-CE1 4.08Å; K74-F255 HydrophobicContact CG-CD1 4.32Å; K74-F255 HydrophobicContact CG-CE1 4.21Å
75L97.1Very high95.2Very high11 Ų1134 Ų346%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-117.5144.3-170-54.6169.8000110.3H8 T10 W91 Q96 T137H8-L75 PolarHBondContact O-N 3.19Å; T10-L75 PolarHBondContact N-O 3.25Å; L75-W91 HydrophobicContact CB-CE3 3.63Å; L75-W91 HydrophobicContact CB-CZ3 3.95Å; L75-W91 HydrophobicContact CD1-CB 4.45Å; L75-W91 HydrophobicContact CD1-CE3 4.48Å; L75-Q96 HydrophobicContact CD2-CG 3.77Å; L75-T137 HydrophobicContact CD1-CG2 3.68Å
76V98.2Very high95.1Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-116.7132.7175.9-179.40000109.5T10 F12 L66 F67 N89 Q96T10-V76 CarbonylContact O-C 3.58Å; T10-V76 VanDerWaalsContact O-CA 3.26Å; T10-V76 WeakPolarHBondContact O-CA 3.35Å; F12-V76 HydrophobicContact CD2-CG1 3.98Å; L66-V76 HydrophobicContact CD2-CG2 3.47Å; L66-V76 VanDerWaalsContact CD2-CG2 3.47Å; F67-V76 HydrophobicContact CE1-CB 4.39Å; F67-V76 HydrophobicContact CE1-CG2 3.93Å; F67-V76 HydrophobicContact CZ-CB 4.22Å; F67-V76 HydrophobicContact CZ-CG2 4.12Å; V76-N89 PolarHBondContact O-ND2 3.02Å; V76-N89 PolarHBondContact O-OD1 3.2Å; V76-Q96 PolarHBondContact O-OE1 3.28Å
77N98.3Very high95.2Very high5 Ų539.4 Ų39.43%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-111.6126.2163.3-168.1-124.3000108.5T10 V11 F12 N89 W91 A132T10-N77 PolarHBondContact O-N 3.18Å; V11-N77 CarbonylContact C-O 3.59Å; V11-N77 VanDerWaalsContact CA-O 3.24Å; V11-N77 WeakPolarHBondContact CA-O 3.39Å; V11-N77 HydrophobicContact CG1-CB 4.33Å; V11-N77 HydrophobicContact CG2-CB 4.31Å; F12-N77 PolarHBondContact N-O 3.23Å; N77-N89 WeakPolarHBondContact CA-OD1 3.44Å; N77-N89 PolarHBondContact ND2-O 3.05Å; N77-W91 HydrophobicContact CB-CD2 4.38Å; N77-W91 HydrophobicContact CB-CE3 4.1Å; N77-W91 HydrophobicContact CB-CH2 3.53Å; N77-W91 HydrophobicContact CB-CZ2 3.82Å; N77-W91 HydrophobicContact CB-CZ3 3.69Å; N77-A132 WeakPolarHBondContact OD1-CB 3.47Å
78Y98.6Very high95.2Very high0 Ų039.8 Ų39.80%020%0.201CC..EExtended strand (participates in β ladder)trans-110.5121.6-176.1-156.3-66.7000109.6F12 V14 S59 M60 V80 L88 N89 L101 L105F12-Y78 HydrophobicContact CB-CD2 3.89Å; F12-Y78 HydrophobicContact CB-CE2 4.13Å; F12-Y78 HydrophobicContact CB-CG 4.16Å; F12-Y78 HydrophobicContact CD2-CD2 4.37Å; F12-Y78 HydrophobicContact CG-CD2 4.33Å; F12-Y78 HydrophobicContact CG-CE2 4.34Å; V14-Y78 HydrophobicContact CB-CE1 4.32Å; V14-Y78 HydrophobicContact CG2-CE1 3.75Å; V14-Y78 WeakPolarHBondContact CG2-OH 3.46Å; S59-Y78 PolarHBondContact OG-OH 3Å; M60-Y78 HydrophobicContact SD-CD2 4.37Å; M60-Y78 HydrophobicContact SD-CE2 3.91Å; Y78-V80 HydrophobicContact CD1-CG2 4.4Å; Y78-V80 HydrophobicContact CE1-CG2 4.19Å; Y78-L88 HydrophobicContact CD1-CD1 3.72Å; Y78-L88 HydrophobicContact CD1-CG 4.31Å; Y78-L88 HydrophobicContact CE1-CD1 4.22Å; Y78-L88 HydrophobicContact CG-CD1 4.45Å; Y78-L88 PolarHBondContact O-N 3.22Å; Y78-N89 PolarHBondContact N-OD1 2.67Å; Y78-L101 HydrophobicContact CD2-CD2 4.49Å; Y78-L101 HydrophobicContact CG-CD2 4.19Å; Y78-L105 HydrophobicContact CE1-CD2 3.82Å
79I98.8Very high95.3Very high0 Ų037.3 Ų37.30%019%0.188CC..EExtended strand (participates in β ladder)trans-122.3134.3-177-52.2-176.2000109V11 F12 V13 V14 F85 H86 I87 A128 A129 A132V11-I79 HydrophobicContact CG1-CD1 3.65Å; V11-I79 HydrophobicContact CG1-CG1 3.94Å; F12-I79 PolarHBondContact O-N 3.4Å; V13-I79 CarbonylContact C-O 3.59Å; V13-I79 WeakPolarHBondContact CA-O 3.26Å; V14-I79 PolarHBondContact N-O 3.43Å; I79-F85 HydrophobicContact CG2-CB 4.26Å; I79-H86 WeakPolarHBondContact CA-O 3.41Å; I79-I87 HydrophobicContact CD1-CG1 4.3Å; I79-I87 HydrophobicContact CG1-CG1 4.23Å; I79-A128 HydrophobicContact CD1-CB 4.03Å; I79-A128 HydrophobicContact CG2-CB 4.44Å; I79-A129 HydrophobicContact CD1-CB 4.11Å; I79-A132 HydrophobicContact CD1-CB 4.48Å
80V98.5Very high95.3Very high0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-106.9144.9169.7-176.10000108.8V14 H16 W52 Y78 F85 H86 L88 L105 V108V14-V80 WeakPolarHBondContact O-CA 3.38Å; H16-V80 HydrophobicContact CB-CG1 3.43Å; H16-V80 VanDerWaalsContact CB-CG1 3.43Å; W52-V80 HydrophobicContact CH2-CB 4.47Å; W52-V80 HydrophobicContact CH2-CG1 3.72Å; W52-V80 HydrophobicContact CH2-CG2 3.85Å; W52-V80 HydrophobicContact CZ3-CG1 3.87Å; W52-V80 HydrophobicContact CZ3-CG2 4.43Å; Y78-V80 HydrophobicContact CD1-CG2 4.4Å; Y78-V80 HydrophobicContact CE1-CG2 4.19Å; V80-F85 CarbonylContact O-C 3.6Å; V80-F85 WeakPolarHBondContact O-CA 3.42Å; V80-H86 HydrophobicContact CB-CB 4.31Å; V80-H86 PolarHBondContact N-O 3.3Å; V80-H86 PolarHBondContact O-N 2.89Å; V80-L88 HydrophobicContact CG2-CD1 3.85Å; V80-L88 HydrophobicContact CG2-CD2 4.31Å; V80-L88 HydrophobicContact CG2-CG 4.2Å; V80-L105 HydrophobicContact CG2-CD2 4.24Å; V80-V108 HydrophobicContact CG1-CG1 4.2Å
81S97.7Very high95.3Very high0 Ų039.2 Ų39.20%020%0.201CC..EExtended strand (participates in β ladder)trans-132.5122.9-174.5-160.40000111.7V14 H16 S121 I122 G125V14-S81 PolarHBondContact O-N 2.97Å; H16-S81 PolarHBondContact N-O 2.98Å; S81-S121 PolarHBondContact OG-O 2.58Å; S81-I122 WeakPolarHBondContact OG-CA 3.48Å; S81-I122 PolarHBondContact OG-O 3.26Å; S81-G125 PolarHBondContact OG-N 2.94Å
82D94.5Very high95.5Very high12 Ų1242.4 Ų42.46%0.06420%0.204CC..SBendtrans-137.8-125.517851.858.6000109.7H16 E84 H86 C120 S121 H124H16-D82 HydrophobicContact CB-CB 4.21Å; H16-D82 IonicContact ND1-OD2 2.74Å; D82-E84 PolarHBondContact N-O 2.91Å; D82-E84 PolarHBondContact O-N 3.07Å; D82-E84 PolarHBondContact OD1-N 2.97Å; D82-H86 IonicContact OD1-NE2 3.6Å; D82-H86 PolarHBondContact OD1-NE2 2.81Å; D82-H86 IonicContact OD2-CD2 3.82Å; D82-H86 PolarHBondContact OD2-CD2 3.3Å; D82-H86 IonicContact OD2-NE2 2.69Å; D82-H86 PolarHBondContact OD2-NE2 2.89Å; D82-C120 CarbonylContact O-C 3.59Å; D82-C120 WeakPolarHBondContact O-CA 3.48Å; D82-S121 PolarHBondContact O-N 3.12Å; D82-H124 PolarHBondContact O-ND1 3.39Å
83S92.8Very high95.7Very high54 Ų5441.4 Ų41.438%0.37820%0.197SC..SBendtrans-61.2-27.3164.669.80000113.4C119 H124S83-C119 WeakPolarHBondContact CA-O 3.32Å; S83-H124 PolarHBondContact O-CE1 2.75Å; S83-H124 PolarHBondContact O-ND1 2.75Å
84E92.8Very high95.9Very high115 Ų11543.7 Ų43.754%0.53721%0.205SC..SBendtrans-134.7-158.9172.365.6-176.8157.500110.7D82 H86D82-E84 PolarHBondContact N-O 2.91Å; D82-E84 PolarHBondContact O-N 3.07Å; D82-E84 PolarHBondContact OD1-N 2.97Å; E84-H86 IonicContact OE1-CE1 2.71Å; E84-H86 PolarHBondContact OE1-CE1 3.05Å
85F95.5Very high95.8Very high88 Ų8844.3 Ų44.339%0.38621%0.209SC..EExtended strand (participates in β ladder)trans-127.6136.4174.765.7-95.7000111.6I79 V80 I87 H124 A128I79-F85 HydrophobicContact CG2-CB 4.26Å; V80-F85 CarbonylContact O-C 3.6Å; V80-F85 WeakPolarHBondContact O-CA 3.42Å; F85-I87 HydrophobicContact CD2-CD1 4.31Å; F85-I87 HydrophobicContact CD2-CG1 3.97Å; F85-I87 HydrophobicContact CE2-CD1 4.06Å; F85-I87 HydrophobicContact CE2-CG1 4.19Å; F85-H124 HydrophobicContact CB-CB 4.15Å; F85-H124 HydrophobicContact CD1-CB 4.34Å; F85-A128 HydrophobicContact CB-CB 4.13Å; F85-A128 HydrophobicContact CD1-CB 4.06Å; F85-A128 HydrophobicContact CD2-CB 3.4Å; F85-A128 VanDerWaalsContact CD2-CB 3.4Å; F85-A128 HydrophobicContact CE1-CB 4.34Å; F85-A128 HydrophobicContact CE2-CB 3.74Å; F85-A128 HydrophobicContact CG-CB 3.59Å; F85-A128 HydrophobicContact CZ-CB 4.2Å
86H97.4Very high95.7Very high54 Ų5445.1 Ų45.125%0.2521%0.212CC..EExtended strand (participates in β ladder)trans-116.5108.6-178.2-53.2-77.4000109.7I79 V80 D82 E84 L88I79-H86 WeakPolarHBondContact CA-O 3.41Å; V80-H86 HydrophobicContact CB-CB 4.31Å; V80-H86 PolarHBondContact N-O 3.3Å; V80-H86 PolarHBondContact O-N 2.89Å; D82-H86 IonicContact OD1-NE2 3.6Å; D82-H86 PolarHBondContact OD1-NE2 2.81Å; D82-H86 IonicContact OD2-CD2 3.82Å; D82-H86 PolarHBondContact OD2-CD2 3.3Å; D82-H86 IonicContact OD2-NE2 2.69Å; D82-H86 PolarHBondContact OD2-NE2 2.89Å; E84-H86 IonicContact OE1-CE1 2.71Å; E84-H86 PolarHBondContact OE1-CE1 3.05Å; H86-L88 HydrophobicContact CB-CD2 4.1Å
87I97.8Very high95.5Very high62 Ų6246.6 Ų46.632%0.31822%0.222SC..EExtended strand (participates in β ladder)trans-86.3111175.5-55.2-177.6000108.2I79 F85 N89I79-I87 HydrophobicContact CD1-CG1 4.3Å; I79-I87 HydrophobicContact CG1-CG1 4.23Å; F85-I87 HydrophobicContact CD2-CD1 4.31Å; F85-I87 HydrophobicContact CD2-CG1 3.97Å; F85-I87 HydrophobicContact CE2-CD1 4.06Å; F85-I87 HydrophobicContact CE2-CG1 4.19Å; I87-N89 WeakPolarHBondContact CG2-O 3.44Å
88L97.9Very high95.4Very high34 Ų3448.9 Ų48.918%0.17824%0.237CC..  trans-84.3-20.3-169.5-54-168.7000114.5Y78 V80 H86 L101 A104 L105 V108Y78-L88 HydrophobicContact CD1-CD1 3.72Å; Y78-L88 HydrophobicContact CD1-CG 4.31Å; Y78-L88 HydrophobicContact CE1-CD1 4.22Å; Y78-L88 HydrophobicContact CG-CD1 4.45Å; Y78-L88 PolarHBondContact O-N 3.22Å; V80-L88 HydrophobicContact CG2-CD1 3.85Å; V80-L88 HydrophobicContact CG2-CD2 4.31Å; V80-L88 HydrophobicContact CG2-CG 4.2Å; H86-L88 HydrophobicContact CB-CD2 4.1Å; L88-L101 HydrophobicContact CB-CD2 4.17Å; L88-A104 HydrophobicContact CB-CB 3.9Å; L88-A104 HydrophobicContact CD1-CB 4.18Å; L88-A104 HydrophobicContact CD2-CB 4.26Å; L88-A104 HydrophobicContact CG-CB 4.34Å; L88-L105 HydrophobicContact CD1-CD2 3.7Å; L88-L105 HydrophobicContact CD1-CG 3.69Å; L88-V108 HydrophobicContact CD2-CG2 3.97Å
89N97.5Very high95.2Very high12 Ų1256 Ų566%0.06427%0.269CS..  trans-153.3179-179.782.4-36.9000110.1V76 N77 Y78 I87 D95 L101V76-N89 PolarHBondContact O-ND2 3.02Å; V76-N89 PolarHBondContact O-OD1 3.2Å; N77-N89 WeakPolarHBondContact CA-OD1 3.44Å; N77-N89 PolarHBondContact ND2-O 3.05Å; Y78-N89 PolarHBondContact N-OD1 2.67Å; I87-N89 WeakPolarHBondContact CG2-O 3.44Å; N89-D95 HydrophobicContact CB-CB 4.15Å; N89-D95 PolarHBondContact ND2-O 2.8Å; N89-L101 HydrophobicContact CB-CD2 3.88Å
90T96.2Very high95.1Very high62 Ų6260.8 Ų60.838%0.3829%0.292SS..  trans-123-171.9178.178.60000113R92 D95 Q96T90-R92 PolarHBondContact O-N 2.63Å; T90-R92 WeakPolarHBondContact OG1-CG 3.4Å; T90-R92 PolarHBondContact OG1-N 3.05Å; T90-D95 WeakPolarHBondContact CA-OD2 3.49Å; T90-D95 WeakPolarHBondContact CB-OD2 3.16Å; T90-D95 WeakPolarHBondContact CG2-OD2 3.49Å; T90-D95 PolarHBondContact N-OD2 3.4Å; T90-D95 PolarHBondContact OG1-OD2 3.08Å; T90-Q96 PolarHBondContact O-NE2 3.4Å
91W96.6Very high95Very high17 Ų1760.8 Ų60.86%0.06429%0.292CS..SBendtrans-80.95.5174.8-63.8131.2000114.6K9 V11 L75 N77 A132 L133 T137K9-W91 HydrophobicContact CB-CH2 3.64Å; K9-W91 HydrophobicContact CB-CZ2 4.06Å; K9-W91 HydrophobicContact CB-CZ3 4.1Å; K9-W91 HydrophobicContact CD-CH2 4.45Å; K9-W91 HydrophobicContact CD-CZ2 4.05Å; K9-W91 HydrophobicContact CG-CH2 3.93Å; K9-W91 HydrophobicContact CG-CZ2 4.01Å; K9-W91 HydrophobicContact CG-CZ3 4.18Å; V11-W91 HydrophobicContact CG2-CH2 3.77Å; V11-W91 HydrophobicContact CG2-CZ2 3.93Å; L75-W91 HydrophobicContact CB-CE3 3.63Å; L75-W91 HydrophobicContact CB-CZ3 3.95Å; L75-W91 HydrophobicContact CD1-CB 4.45Å; L75-W91 HydrophobicContact CD1-CE3 4.48Å; N77-W91 HydrophobicContact CB-CD2 4.38Å; N77-W91 HydrophobicContact CB-CE3 4.1Å; N77-W91 HydrophobicContact CB-CH2 3.53Å; N77-W91 HydrophobicContact CB-CZ2 3.82Å; N77-W91 HydrophobicContact CB-CZ3 3.69Å; W91-A132 HydrophobicContact CZ2-CB 4.36Å; W91-A132 PolarHBondContact NE1-O 3.12Å; W91-L133 HydrophobicContact CZ2-CD2 4.26Å; W91-T137 HydrophobicContact CB-CG2 4.04Å; W91-T137 HydrophobicContact CD2-CG2 4.35Å; W91-T137 HydrophobicContact CG-CG2 4.03Å
92R93.1Very high95Very high134 Ų13465.5 Ų65.551%0.50632%0.315SS..SBendtrans-71156.1175.6-64.5-176.4-173.7-169.13.3111.2T90 E94 D95 Q96 E138T90-R92 PolarHBondContact O-N 2.63Å; T90-R92 WeakPolarHBondContact OG1-CG 3.4Å; T90-R92 PolarHBondContact OG1-N 3.05Å; R92-E94 HydrophobicContact CB-CG 4.02Å; R92-E94 WeakPolarHBondContact CD-OE1 3.35Å; R92-E94 IonicContact CZ-OE1 3.58Å; R92-E94 IonicContact NE-OE1 3.47Å; R92-E94 IonicContact NH1-OE1 2.7Å; R92-E94 PolarHBondContact NH1-OE1 3.24Å; R92-D95 HydrophobicContact CB-CB 4.39Å; R92-Q96 WeakPolarHBondContact O-CG 3.47Å; R92-Q96 PolarHBondContact O-NE2 2.85Å; R92-E138 VanDerWaalsContact CA-OE1 3.28Å; R92-E138 WeakPolarHBondContact CA-OE1 3.35Å
93R89.5Confident95.1Very high120 Ų12068.6 Ų68.645%0.45334%0.338SS..SBendtrans-71.4-31.6178.2-63.7178.7-140.3-164.8-2.3113.4Q96 E138R93-Q96 PolarHBondContact O-N 2.66Å; R93-E138 WeakPolarHBondContact CG-OE2 3.46Å; R93-E138 IonicContact CZ-OE2 2.67Å; R93-E138 PolarHBondContact N-OE1 2.72Å; R93-E138 IonicContact NE-OE2 3.68Å; R93-E138 PolarHBondContact NE-OE2 3.09Å; R93-E138 IonicContact NH2-OE2 2.78Å; R93-E138 PolarHBondContact NH2-OE2 2.73Å
94E90.3Very high95.3Very high123 Ų12367.3 Ų67.358%0.57533%0.33SS*.THydrogen-bonded Turntrans-62.7-47.2177.561.7-157176.300110.9R92 Q96R92-E94 HydrophobicContact CB-CG 4.02Å; R92-E94 WeakPolarHBondContact CD-OE1 3.35Å; R92-E94 IonicContact CZ-OE1 3.58Å; R92-E94 IonicContact NE-OE1 3.47Å; R92-E94 IonicContact NH1-OE1 2.7Å; R92-E94 PolarHBondContact NH1-OE1 3.24Å; E94-Q96 PolarHBondContact O-N 3.3Å
95D92.2Very high95.6Very high27 Ų2762.2 Ų62.214%0.14431%0.307CS..THydrogen-bonded Turntrans-60.6-1.9174.7-62.542000116.6N89 T90 R92 S97N89-D95 HydrophobicContact CB-CB 4.15Å; N89-D95 PolarHBondContact ND2-O 2.8Å; T90-D95 WeakPolarHBondContact CA-OD2 3.49Å; T90-D95 WeakPolarHBondContact CB-OD2 3.16Å; T90-D95 WeakPolarHBondContact CG2-OD2 3.49Å; T90-D95 PolarHBondContact N-OD2 3.4Å; T90-D95 PolarHBondContact OG1-OD2 3.08Å; R92-D95 HydrophobicContact CB-CB 4.39Å; D95-S97 PolarHBondContact O-N 2.87Å; D95-S97 VanDerWaalsContact O-N 3.13Å
96Q95Very high95.6Very high29 Ų2961.8 Ų61.814%0.13632%0.319CS..  trans-89.353.7-178.3-54.1-51.6-65.300111.4F67 L75 V76 T90 R92 R93 E94F67-Q96 HydrophobicContact CE1-CB 4.05Å; F67-Q96 WeakPolarHBondContact CE2-O 3.29Å; F67-Q96 HydrophobicContact CZ-CB 4.08Å; L75-Q96 HydrophobicContact CD2-CG 3.77Å; V76-Q96 PolarHBondContact O-OE1 3.28Å; T90-Q96 PolarHBondContact O-NE2 3.4Å; R92-Q96 WeakPolarHBondContact O-CG 3.47Å; R92-Q96 PolarHBondContact O-NE2 2.85Å; R93-Q96 PolarHBondContact O-N 2.66Å; E94-Q96 PolarHBondContact O-N 3.3Å
97S94.9Very high95.6Very high30 Ų3063.5 Ų63.521%0.2134%0.343CS..  trans-123.3122.1-170.9176.80000111.5D95 H99 E100 L101D95-S97 PolarHBondContact O-N 2.87Å; D95-S97 VanDerWaalsContact O-N 3.13Å; S97-H99 PolarHBondContact O-N 3.07Å; S97-H99 PolarHBondContact OG-N 3.15Å; S97-E100 PolarHBondContact O-N 2.85Å; S97-E100 PolarHBondContact OG-N 3.47Å; S97-L101 WeakPolarHBondContact O-CB 3.46Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 2.94Å; S97-L101 VanDerWaalsContact O-N 3.07Å
98T95.4Very high95.6Very high53 Ų5362.5 Ų62.533%0.32534%0.34SS..Hα-helixtrans-64.2-27.9171.947.10000112.2M60 C63 R64 F67 M102M60-T98 HydrophobicContact CE-CG2 3.88Å; C63-T98 HydrophobicContact CB-CG2 4.29Å; R64-T98 HydrophobicContact CB-CG2 4.39Å; F67-T98 HydrophobicContact CD2-CG2 3.93Å; F67-T98 HydrophobicContact CE2-CG2 4.09Å; T98-M102 WeakPolarHBondContact O-CB 3.49Å; T98-M102 WeakPolarHBondContact O-CG 3.42Å; T98-M102 PolarHBondContact O-N 3.28Å
99H95.5Very high95.5Very high149 Ų14961.8 Ų61.869%0.6934%0.341SS*.Hα-helixtrans-68.3-46.6177.7-179.859.9000111.7S97 M102 S103S97-H99 PolarHBondContact O-N 3.07Å; S97-H99 PolarHBondContact OG-N 3.15Å; H99-M102 PolarHBondContact O-N 3.24Å; H99-S103 PolarHBondContact O-N 2.86Å
100E95.4Very high95.4Very high101 Ų10166.1 Ų66.147%0.47237%0.369SS..Hα-helixtrans-67.7-43.4178.9-65.8171.6-177.700111.1S97 M102 S103 A104S97-E100 PolarHBondContact O-N 2.85Å; S97-E100 PolarHBondContact OG-N 3.47Å; E100-M102 PolarHBondContact O-N 3.48Å; E100-S103 WeakPolarHBondContact O-CB 3.38Å; E100-S103 PolarHBondContact O-N 3.44Å; E100-S103 VanDerWaalsContact O-N 3.1Å; E100-A104 PolarHBondContact O-N 2.83Å
101L97.1Very high95.4Very high1 Ų163.4 Ų63.41%0.00535%0.353CS..Hα-helixtrans-58.2-44.9173.2-75.5173000112.3M60 Y78 L88 N89 S97 S103 A104 L105M60-L101 HydrophobicContact CE-CB 3.62Å; M60-L101 HydrophobicContact CE-CD1 4.14Å; M60-L101 HydrophobicContact SD-CB 4.08Å; M60-L101 HydrophobicContact SD-CD1 4.42Å; Y78-L101 HydrophobicContact CD2-CD2 4.49Å; Y78-L101 HydrophobicContact CG-CD2 4.19Å; L88-L101 HydrophobicContact CB-CD2 4.17Å; N89-L101 HydrophobicContact CB-CD2 3.88Å; S97-L101 WeakPolarHBondContact O-CB 3.46Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 2.94Å; S97-L101 VanDerWaalsContact O-N 3.07Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.07Å; L101-A104 PolarHBondContact O-N 2.88Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 WeakPolarHBondContact O-CD1 3.42Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.14Å
102M96.9Very high95.3Very high98 Ų9866.3 Ų66.348%0.48337%0.37SS..Hα-helixtrans-62.3-36.9174.5-77.1-58.4-60.100112.3M60 T98 H99 E100 L105 A106M60-M102 HydrophobicContact CB-SD 4.34Å; M60-M102 HydrophobicContact CE-CG 4.1Å; M60-M102 HydrophobicContact CE-SD 4.28Å; M60-M102 HydrophobicContact CG-SD 3.8Å; T98-M102 WeakPolarHBondContact O-CB 3.49Å; T98-M102 WeakPolarHBondContact O-CG 3.42Å; T98-M102 PolarHBondContact O-N 3.28Å; H99-M102 PolarHBondContact O-N 3.24Å; E100-M102 PolarHBondContact O-N 3.48Å; M102-L105 HydrophobicContact SD-CD1 4.44Å; M102-A106 VanDerWaalsContact O-CB 3.31Å; M102-A106 WeakPolarHBondContact O-CB 3.45Å; M102-A106 PolarHBondContact O-N 3.35Å
103S97.5Very high95.2Very high78 Ų7864.7 Ų64.755%0.54538%0.376SS..Hα-helixtrans-66.9-40.6175.5-166.10000112.1H99 E100 L101 A106 A107H99-S103 PolarHBondContact O-N 2.86Å; E100-S103 WeakPolarHBondContact O-CB 3.38Å; E100-S103 PolarHBondContact O-N 3.44Å; E100-S103 VanDerWaalsContact O-N 3.1Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 3.07Å; S103-A106 PolarHBondContact O-N 2.89Å; S103-A107 PolarHBondContact O-N 3.38Å; S103-A107 VanDerWaalsContact O-N 3.11Å
104A97.6Very high95.2Very high26 Ų2670 Ų7022%0.21540%0.396CS..Hα-helixtrans-67.3-43.6176.500000111.7L88 E100 L101 A106 A107 V108L88-A104 HydrophobicContact CB-CB 3.9Å; L88-A104 HydrophobicContact CD1-CB 4.18Å; L88-A104 HydrophobicContact CD2-CB 4.26Å; L88-A104 HydrophobicContact CG-CB 4.34Å; E100-A104 PolarHBondContact O-N 2.83Å; L101-A104 PolarHBondContact O-N 2.88Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.12Å; A104-A107 WeakPolarHBondContact O-CB 3.22Å; A104-A107 PolarHBondContact O-N 3.39Å; A104-A107 VanDerWaalsContact O-N 3.13Å; A104-V108 PolarHBondContact O-N 3.23Å
105L97.6Very high95.1Very high9 Ų967.4 Ų67.45%0.04738%0.384CS..Hα-helixtrans-61.4-37.3173.7-75.4161.9000112.7W52 V56 M60 Y78 V80 L88 L101 M102 A107 V108 G109W52-L105 HydrophobicContact CH2-CD2 3.94Å; W52-L105 HydrophobicContact CZ2-CD2 4.03Å; V56-L105 HydrophobicContact CG1-CD1 3.75Å; V56-L105 HydrophobicContact CG1-CD2 4.29Å; V56-L105 HydrophobicContact CG1-CG 4.48Å; V56-L105 HydrophobicContact CG2-CD2 4.09Å; M60-L105 HydrophobicContact CG-CD1 3.9Å; M60-L105 HydrophobicContact SD-CD1 3.7Å; Y78-L105 HydrophobicContact CE1-CD2 3.82Å; V80-L105 HydrophobicContact CG2-CD2 4.24Å; L88-L105 HydrophobicContact CD1-CD2 3.7Å; L88-L105 HydrophobicContact CD1-CG 3.69Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 WeakPolarHBondContact O-CD1 3.42Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.14Å; M102-L105 HydrophobicContact SD-CD1 4.44Å; L105-A107 VanDerWaalsContact C-N 3.33Å; L105-V108 PolarHBondContact O-N 3.38Å; L105-G109 PolarHBondContact O-N 3.15Å
106A97.3Very high94.8Very high78 Ų7870 Ų7065%0.64540%0.398SS*.Hα-helixtrans-67.6-32.1174.500000112.7M102 S103 A104M102-A106 VanDerWaalsContact O-CB 3.31Å; M102-A106 WeakPolarHBondContact O-CB 3.45Å; M102-A106 PolarHBondContact O-N 3.35Å; S103-A106 PolarHBondContact O-N 2.89Å; A104-A106 VanDerWaalsContact C-N 3.31Å; A104-A106 PolarHBondContact O-N 3.12Å
107A97.1Very high94.3Very high90 Ų9072.4 Ų72.474%0.74442%0.416SS*.Hα-helixtrans-72.7-34.1174.900000112.9S103 A104 L105S103-A107 PolarHBondContact O-N 3.38Å; S103-A107 VanDerWaalsContact O-N 3.11Å; A104-A107 WeakPolarHBondContact O-CB 3.22Å; A104-A107 PolarHBondContact O-N 3.39Å; A104-A107 VanDerWaalsContact O-N 3.13Å; L105-A107 VanDerWaalsContact C-N 3.33Å
108V96.2Very high93.7Very high42 Ų4279.7 Ų79.726%0.25545%0.447SS..Hα-helixtrans-69.7-38.2171.6173.70000111.5V80 L88 A104 L105V80-V108 HydrophobicContact CG1-CG1 4.2Å; L88-V108 HydrophobicContact CD2-CG2 3.97Å; A104-V108 PolarHBondContact O-N 3.23Å; L105-V108 PolarHBondContact O-N 3.38Å
109G96.4Very high93Very high19 Ų1980.8 Ų80.820%0.19646%0.456CS..  trans74.3-166.5176.900000114.2H16 W52 L105H16-G109 PolarHBondContact NE2-O 3.07Å; W52-G109 PolarHBondContact NE1-O 3.15Å; L105-G109 PolarHBondContact O-N 3.15Å
110P96.6Very high92.7Very high103 Ų10374.3 Ų74.367%0.66943%0.427SS*.SBendtrans-83.2151.8177.633.7-33.9000112.5H16H16-P110 VanDerWaalsContact NE2-C 3.33Å
111P96.1Very high92.6Very high5 Ų571 Ų713%0.03242%0.415CS..  trans-54.8141.5172-27.433.9000112.4H16 M20 A21 W52 P113H16-P111 HydrophobicContact CB-CG 4.45Å; H16-P111 VanDerWaalsContact O-CB 3.3Å; H16-P111 WeakPolarHBondContact O-CB 3.45Å; M20-P111 HydrophobicContact CB-CG 4.03Å; A21-P111 HydrophobicContact CB-CB 4.15Å; W52-P111 HydrophobicContact CB-CG 3.72Å; W52-P111 HydrophobicContact CD2-CG 4.16Å; W52-P111 HydrophobicContact CG-CG 3.79Å; P111-P113 WeakPolarHBondContact O-CD 3.49Å
112N93.4Very high92.6Very high78 Ų7871 Ų7142%0.41742%0.415SS..  trans-84.9113.7178.3-179.94.6000110.8P18 R114 E115P18-N112 WeakPolarHBondContact CB-O 3.32Å; N112-R114 PolarHBondContact O-N 2.81Å; N112-R114 PolarHBondContact OD1-N 3.37Å; N112-R114 VanDerWaalsContact OD1-N 3.08Å; N112-E115 HydrophobicContact CB-CB 3.96Å; N112-E115 PolarHBondContact O-N 3.44Å
113P91.4Very high92.5Very high99 Ų9968.3 Ų68.364%0.64340%0.403SS*.THydrogen-bonded Turntrans-68.2-5.5-178.9-14.328000114.7A21 P111A21-P113 HydrophobicContact CB-CB 4.33Å; A21-P113 HydrophobicContact CB-CG 3.76Å; P111-P113 WeakPolarHBondContact O-CD 3.49Å
114R89.3Confident92.5Very high231 Ų23167.7 Ų67.787%0.87239%0.391SS*.THydrogen-bonded Turntrans-111.1-2.1-176.6-58.9-178.7178.5176.40.4113.7N112N112-R114 PolarHBondContact O-N 2.81Å; N112-R114 PolarHBondContact OD1-N 3.37Å; N112-R114 VanDerWaalsContact OD1-N 3.08Å
115E88.1Confident92.5Very high69 Ų6966.4 Ų66.432%0.32238%0.381SS..SBendtrans-76.2155.8176.2172.1164.9-141.400110.7P18 N112 P117P18-E115 HydrophobicContact CG-CB 3.98Å; P18-E115 HydrophobicContact CG-CG 4.29Å; P18-E115 WeakPolarHBondContact CG-O 3.33Å; N112-E115 HydrophobicContact CB-CB 3.96Å; N112-E115 PolarHBondContact O-N 3.44Å; E115-P117 WeakPolarHBondContact O-CD 3.29Å
116D86.9Confident92.5Very high82 Ų8266.1 Ų66.144%0.43938%0.379SS..  trans-73.2113.3-173.9-176.60.9000111.4E118 C119D116-E118 PolarHBondContact O-N 3.38Å; D116-E118 PolarHBondContact OD1-N 3.35Å; D116-C119 PolarHBondContact O-N 2.94Å
117P83.5Confident92.5Very high79 Ų7964.9 Ų64.951%0.51336%0.363SS..THydrogen-bonded Turntrans-67.5-14.4-179.7-17.432.7000114.2P18 E115 C119P18-P117 HydrophobicContact CG-CG 4.4Å; E115-P117 WeakPolarHBondContact O-CD 3.29Å; P117-C119 VanDerWaalsContact C-N 3.35Å
118E82.3Confident92.6Very high183 Ų18360.6 Ų60.686%0.85533%0.328SS*.THydrogen-bonded Turntrans-76.3-24.2176-63.5-162.7166.800112.5D116D116-E118 PolarHBondContact O-N 3.38Å; D116-E118 PolarHBondContact OD1-N 3.35Å
119C80.3Confident92.7Very high77 Ų7758.6 Ų58.652%0.5232%0.316SS..THydrogen-bonded Turntrans-83.5-21.3176.9-670000113.1S83 D116 P117S83-C119 WeakPolarHBondContact CA-O 3.32Å; D116-C119 PolarHBondContact O-N 2.94Å; P117-C119 VanDerWaalsContact C-N 3.35Å
120C89.6Confident92.8Very high12 Ų1257.7 Ų57.78%0.08131%0.307CS..  trans-99.9136.6-172.6-53.80000112.9C17 D82C17-C120 HydrophobicContact CB-CB 3.98Å; C17-C120 WeakPolarHBondContact SG-CB 3.36Å; D82-C120 CarbonylContact O-C 3.59Å; D82-C120 WeakPolarHBondContact O-CA 3.48Å
121S93.2Very high92.8Very high31 Ų3156 Ų5622%0.21729%0.289CS..  trans-152.5141.9178-173.90000113.4S81 D82 L123 H124S81-S121 PolarHBondContact OG-O 2.58Å; D82-S121 PolarHBondContact O-N 3.12Å; S121-L123 PolarHBondContact O-N 3.2Å; S121-L123 WeakPolarHBondContact OG-CB 3.4Å; S121-L123 PolarHBondContact OG-N 2.85Å; S121-H124 PolarHBondContact O-ND1 3.19Å
122I96.5Very high92.9Very high1 Ų155.8 Ų55.81%0.00529%0.288CS..THydrogen-bonded Turntrans-64.3-18.1169.8-168.153.9000113V13 D15 S81 H124 G125 L126 C162 T164 L175V13-I122 HydrophobicContact CG1-CD1 3.64Å; D15-I122 HydrophobicContact CB-CD1 3.84Å; S81-I122 WeakPolarHBondContact OG-CA 3.48Å; S81-I122 PolarHBondContact OG-O 3.26Å; I122-H124 VanDerWaalsContact C-N 3.3Å; I122-H124 PolarHBondContact O-N 2.82Å; I122-G125 PolarHBondContact O-N 3.06Å; I122-L126 HydrophobicContact CG1-CD1 4.25Å; I122-L126 HydrophobicContact CG1-CG 4.36Å; I122-L126 HydrophobicContact CG2-CD1 4.3Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 3.09Å; I122-L126 VanDerWaalsContact O-N 3.15Å; I122-C162 VanDerWaalsContact CG1-SG 3.57Å; I122-T164 HydrophobicContact CG1-CG2 4.49Å; I122-L175 HydrophobicContact CG2-CD1 4.09Å; I122-L175 HydrophobicContact CG2-CD2 3.76Å
123L96.1Very high93.1Very high43 Ų4352.1 Ų52.123%0.22527%0.269CS..Hα-helixtrans-62.5-33.5-180-73.3171.3000112.8S121 G125 L126 V127 M174 L175 C178S121-L123 PolarHBondContact O-N 3.2Å; S121-L123 WeakPolarHBondContact OG-CB 3.4Å; S121-L123 PolarHBondContact OG-N 2.85Å; L123-G125 PolarHBondContact O-N 3.14Å; L123-L126 HydrophobicContact CD2-CD1 4.37Å; L123-L126 PolarHBondContact O-N 2.92Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.37Å; L123-M174 HydrophobicContact CD1-CE 4.46Å; L123-M174 HydrophobicContact CD1-SD 4.13Å; L123-M174 HydrophobicContact CD2-SD 4.33Å; L123-L175 HydrophobicContact CD2-CD2 3.6Å; L123-L175 HydrophobicContact CG-CD2 3.97Å; L123-C178 HydrophobicContact CD2-CB 3.85Å
124H96.5Very high93.4Very high64 Ų6447.4 Ų47.430%0.29624%0.238SC..Hα-helixtrans-59-50.6-180-54.6138.9000111.2D82 S83 F85 S121 I122 V127 A128D82-H124 PolarHBondContact O-ND1 3.39Å; S83-H124 PolarHBondContact O-CE1 2.75Å; S83-H124 PolarHBondContact O-ND1 2.75Å; F85-H124 HydrophobicContact CB-CB 4.15Å; F85-H124 HydrophobicContact CD1-CB 4.34Å; S121-H124 PolarHBondContact O-ND1 3.19Å; I122-H124 VanDerWaalsContact C-N 3.3Å; I122-H124 PolarHBondContact O-N 2.82Å; H124-V127 PolarHBondContact O-N 3.35Å; H124-A128 WeakPolarHBondContact O-CB 3.5Å; H124-A128 PolarHBondContact O-N 3.05Å
125G97.8Very high93.7Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-69.5-30.4176.600000113.8S81 I122 L123 A129S81-G125 PolarHBondContact OG-N 2.94Å; I122-G125 PolarHBondContact O-N 3.06Å; L123-G125 PolarHBondContact O-N 3.14Å; G125-A129 VanDerWaalsContact O-CB 3.29Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 3.5Å
126L98.1Very high94Very high2 Ų238.9 Ų38.91%0.0121%0.208CC..Hα-helixtrans-67.8-40.7174.4-72.3171.9000112.1V13 I122 L123 A129 V130 I160 C162 L175 I179V13-L126 HydrophobicContact CB-CD2 4.42Å; V13-L126 HydrophobicContact CG1-CD2 4.43Å; V13-L126 HydrophobicContact CG1-CG 4.49Å; V13-L126 HydrophobicContact CG2-CD2 4.31Å; I122-L126 HydrophobicContact CG1-CD1 4.25Å; I122-L126 HydrophobicContact CG1-CG 4.36Å; I122-L126 HydrophobicContact CG2-CD1 4.3Å; I122-L126 WeakPolarHBondContact O-CG 3.38Å; I122-L126 PolarHBondContact O-N 3.09Å; I122-L126 VanDerWaalsContact O-N 3.15Å; L123-L126 HydrophobicContact CD2-CD1 4.37Å; L123-L126 PolarHBondContact O-N 2.92Å; L126-A129 PolarHBondContact O-N 3.31Å; L126-V130 PolarHBondContact O-N 2.85Å; L126-I160 HydrophobicContact CD2-CG2 4.12Å; L126-C162 HydrophobicContact CD2-CB 3.95Å; L126-L175 HydrophobicContact CD1-CB 4.29Å; L126-L175 HydrophobicContact CD1-CD2 4.1Å; L126-I179 HydrophobicContact CB-CD1 4.4Å; L126-I179 HydrophobicContact CB-CG1 4.21Å; L126-I179 HydrophobicContact CD1-CD1 4.02Å; L126-I179 HydrophobicContact CD1-CG1 4.45Å; L126-I179 HydrophobicContact CD2-CD1 3.77Å; L126-I179 HydrophobicContact CD2-CG1 4.44Å; L126-I179 HydrophobicContact CG-CD1 4.27Å
127V97.7Very high94.4Very high53 Ų5335 Ų3532%0.32119%0.187SC..Hα-helixtrans-63.7-49172.8172.10000110.2L123 H124 A129 V130 E131 T182L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.37Å; H124-V127 PolarHBondContact O-N 3.35Å; V127-A129 PolarHBondContact O-N 3.08Å; V127-V130 PolarHBondContact O-N 3Å; V127-V130 VanDerWaalsContact O-N 3.11Å; V127-E131 PolarHBondContact O-N 3.17Å; V127-T182 HydrophobicContact CB-CG2 4.42Å; V127-T182 HydrophobicContact CG1-CG2 4.09Å; V127-T182 HydrophobicContact CG2-CG2 4.27Å
128A98.3Very high94.8Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-59.6-31.4176.900000113.2I79 F85 H124 E131 A132I79-A128 HydrophobicContact CD1-CB 4.03Å; I79-A128 HydrophobicContact CG2-CB 4.44Å; F85-A128 HydrophobicContact CB-CB 4.13Å; F85-A128 HydrophobicContact CD1-CB 4.06Å; F85-A128 HydrophobicContact CD2-CB 3.4Å; F85-A128 VanDerWaalsContact CD2-CB 3.4Å; F85-A128 HydrophobicContact CE1-CB 4.34Å; F85-A128 HydrophobicContact CE2-CB 3.74Å; F85-A128 HydrophobicContact CG-CB 3.59Å; F85-A128 HydrophobicContact CZ-CB 4.2Å; H124-A128 WeakPolarHBondContact O-CB 3.5Å; H124-A128 PolarHBondContact O-N 3.05Å; A128-E131 PolarHBondContact O-N 2.84Å; A128-A132 WeakPolarHBondContact O-CB 3.48Å; A128-A132 PolarHBondContact O-N 3.46Å
129A98.6Very high95.2Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-68.5-40.1175.200000112.9V11 V13 I79 G125 L126 V127 A132 L133 I160V11-A129 HydrophobicContact CB-CB 4.12Å; V11-A129 HydrophobicContact CG1-CB 3.57Å; V13-A129 HydrophobicContact CG2-CB 3.56Å; I79-A129 HydrophobicContact CD1-CB 4.11Å; G125-A129 VanDerWaalsContact O-CB 3.29Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 3.5Å; L126-A129 PolarHBondContact O-N 3.31Å; V127-A129 PolarHBondContact O-N 3.08Å; A129-A132 PolarHBondContact O-N 3.18Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 2.72Å; A129-I160 HydrophobicContact CB-CD1 3.9Å; A129-I160 HydrophobicContact CB-CG1 4.17Å; A129-I160 HydrophobicContact CB-CG2 4.14Å
130V98.4Very high95.7Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-64-44173.1177.70000110.2L126 V127 A132 L133 C134 I160 I179 T182 I183 Q186 I199L126-V130 PolarHBondContact O-N 2.85Å; V127-V130 PolarHBondContact O-N 3Å; V127-V130 VanDerWaalsContact O-N 3.11Å; V130-A132 VanDerWaalsContact C-N 3.35Å; V130-A132 PolarHBondContact O-N 3.38Å; V130-L133 PolarHBondContact O-N 2.77Å; V130-C134 PolarHBondContact O-N 3.44Å; V130-C134 VanDerWaalsContact O-N 3.16Å; V130-I160 HydrophobicContact CG2-CD1 4.03Å; V130-I179 HydrophobicContact CG2-CG2 4.18Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG1-CG2 3.93Å; V130-T182 HydrophobicContact CG2-CG2 4.15Å; V130-I183 HydrophobicContact CB-CG1 4.47Å; V130-I183 HydrophobicContact CG1-CB 4.34Å; V130-I183 HydrophobicContact CG1-CG1 3.69Å; V130-I183 HydrophobicContact CG2-CG1 3.87Å; V130-Q186 HydrophobicContact CG1-CB 3.99Å; V130-Q186 HydrophobicContact CG1-CG 3.98Å; V130-I199 HydrophobicContact CG1-CD1 3.8Å
131E97.6Very high95.7Very high66 Ų6627.4 Ų27.431%0.30814%0.136SC..Hα-helixtrans-60.4-42.2173.9-68.2-169.5172.900112.8V127 A128 L133 C134 K135 Q186V127-E131 PolarHBondContact O-N 3.17Å; A128-E131 PolarHBondContact O-N 2.84Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.9Å; E131-C134 WeakPolarHBondContact O-CB 3.27Å; E131-C134 PolarHBondContact O-N 3.23Å; E131-C134 VanDerWaalsContact O-N 3.16Å; E131-K135 PolarHBondContact O-N 3.13Å; E131-Q186 HydrophobicContact CG-CG 4.31Å; E131-Q186 PolarHBondContact OE1-NE2 3.32Å; E131-Q186 VanDerWaalsContact OE1-NE2 3.09Å
132A97.8Very high95.4Very high1 Ų130 Ų301%0.00815%0.145CC..Hα-helixtrans-60.8-41.9175.400000111.3V11 N77 I79 W91 A128 A129 V130 C134 K135V11-A132 HydrophobicContact CG2-CB 4.41Å; N77-A132 WeakPolarHBondContact OD1-CB 3.47Å; I79-A132 HydrophobicContact CD1-CB 4.48Å; W91-A132 HydrophobicContact CZ2-CB 4.36Å; W91-A132 PolarHBondContact NE1-O 3.12Å; A128-A132 WeakPolarHBondContact O-CB 3.48Å; A128-A132 PolarHBondContact O-N 3.46Å; A129-A132 PolarHBondContact O-N 3.18Å; V130-A132 VanDerWaalsContact C-N 3.35Å; V130-A132 PolarHBondContact O-N 3.38Å; A132-C134 VanDerWaalsContact C-N 3.27Å; A132-C134 PolarHBondContact O-N 3.06Å; A132-K135 WeakPolarHBondContact O-CB 3.12Å; A132-K135 PolarHBondContact O-N 3.13Å; A132-K135 VanDerWaalsContact O-N 3.13Å
133L98Very high94.9Very high1 Ų132.9 Ų32.91%0.00516%0.157CC..Hα-helixtrans-62.4-30.8175.1-73-175.3000113.2K9 V11 W91 A129 V130 E131 N156 I160 I199K9-L133 HydrophobicContact CB-CD2 3.71Å; K9-L133 HydrophobicContact CD-CD2 3.96Å; K9-L133 HydrophobicContact CG-CD2 4.49Å; K9-L133 PolarHBondContact NZ-O 2.87Å; V11-L133 HydrophobicContact CG2-CD2 3.75Å; V11-L133 HydrophobicContact CG2-CG 3.95Å; W91-L133 HydrophobicContact CZ2-CD2 4.26Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 2.72Å; V130-L133 PolarHBondContact O-N 2.77Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.9Å; L133-N156 PolarHBondContact O-ND2 3.37Å; L133-N156 PolarHBondContact O-OD1 2.75Å; L133-I160 HydrophobicContact CD1-CD1 4.09Å; L133-I160 HydrophobicContact CD1-CG1 3.86Å; L133-I199 HydrophobicContact CB-CD1 3.65Å; L133-I199 HydrophobicContact CB-CG1 4Å; L133-I199 HydrophobicContact CD1-CD1 4.36Å
134C97.2Very high94.4Very high1 Ų134.3 Ų34.31%0.00716%0.16CC..Hα-helixtrans-71.6-24.7173.9-73.10000114.2V130 E131 A132 L196 M197V130-C134 PolarHBondContact O-N 3.44Å; V130-C134 VanDerWaalsContact O-N 3.16Å; E131-C134 WeakPolarHBondContact O-CB 3.27Å; E131-C134 PolarHBondContact O-N 3.23Å; E131-C134 VanDerWaalsContact O-N 3.16Å; A132-C134 VanDerWaalsContact C-N 3.27Å; A132-C134 PolarHBondContact O-N 3.06Å; C134-L196 HydrophobicContact CB-CD2 4.21Å; C134-L196 CarbonylContact O-C 3.52Å; C134-L196 WeakPolarHBondContact O-CA 3.34Å; C134-M197 PolarHBondContact O-N 3.08Å
135K96.3Very high93.7Very high87 Ų8735.1 Ų35.138%0.37817%0.169SC..BIsolated β-bridgetrans-68.8137.3179.5-65.6168.9-168.4167.40111.2K9 E131 A132 L196K9-K135 WeakPolarHBondContact CE-O 3.43Å; K9-K135 PolarHBondContact NZ-O 3.18Å; E131-K135 PolarHBondContact O-N 3.13Å; A132-K135 WeakPolarHBondContact O-CB 3.12Å; A132-K135 PolarHBondContact O-N 3.13Å; A132-K135 VanDerWaalsContact O-N 3.13Å; K135-L196 HydrophobicContact CG-CD2 4.32Å
136I93.9Very high92.7Very high34 Ų3438.6 Ų38.617%0.17420%0.198CC..PPolyproline II helixtrans-77.4134.7-176.2-57.3176.5000110.5Q140 H141 R195 M197I136-Q140 HydrophobicContact CG2-CB 3.83Å; I136-H141 HydrophobicContact CG2-CB 3.86Å; I136-R195 VanDerWaalsContact CD1-C 3.5Å; I136-R195 WeakPolarHBondContact CD1-O 3.28Å; I136-R195 WeakPolarHBondContact CG1-O 3.42Å; I136-M197 HydrophobicContact CD1-CG 4.02Å; I136-M197 HydrophobicContact CD1-SD 4.39Å; I136-M197 HydrophobicContact CG1-CG 3.8Å; I136-M197 HydrophobicContact CG1-SD 4.02Å; I136-M197 HydrophobicContact CG2-SD 4.35Å
137T94.6Very high91.3Very high1 Ų141.8 Ų41.81%0.00622%0.215CC..PPolyproline II helixtrans-82.5157.1172.171.70000111.1H8 K9 L75 W91 L139 Q140 H141H8-T137 PolarHBondContact NE2-OG1 3.14Å; K9-T137 HydrophobicContact CD-CG2 4.36Å; K9-T137 HydrophobicContact CG-CG2 4.14Å; L75-T137 HydrophobicContact CD1-CG2 3.68Å; W91-T137 HydrophobicContact CB-CG2 4.04Å; W91-T137 HydrophobicContact CD2-CG2 4.35Å; W91-T137 HydrophobicContact CG-CG2 4.03Å; T137-L139 PolarHBondContact O-N 2.9Å; T137-Q140 PolarHBondContact O-N 3.41Å; T137-Q140 VanDerWaalsContact O-N 3.13Å; T137-Q140 WeakPolarHBondContact OG1-CB 3.38Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.06Å; T137-Q140 PolarHBondContact OG1-N 2.86Å; T137-Q140 VanDerWaalsContact OG1-N 3.12Å; T137-H141 WeakPolarHBondContact O-CB 3.32Å; T137-H141 PolarHBondContact O-N 3.03Å
138E92.1Very high89.5Confident77 Ų7747.2 Ų47.236%0.3624%0.238SC..Hα-helixtrans-50.3-42.7174.9-64.8169.8-161.300112.5R92 R93 H141 E142R92-E138 VanDerWaalsContact CA-OE1 3.28Å; R92-E138 WeakPolarHBondContact CA-OE1 3.35Å; R93-E138 WeakPolarHBondContact CG-OE2 3.46Å; R93-E138 IonicContact CZ-OE2 2.67Å; R93-E138 PolarHBondContact N-OE1 2.72Å; R93-E138 IonicContact NE-OE2 3.68Å; R93-E138 PolarHBondContact NE-OE2 3.09Å; R93-E138 IonicContact NH2-OE2 2.78Å; R93-E138 PolarHBondContact NH2-OE2 2.73Å; E138-H141 PolarHBondContact O-N 2.96Å; E138-E142 WeakPolarHBondContact O-CB 3.3Å; E138-E142 PolarHBondContact O-N 3.19Å
139L90Very high87.5Confident15 Ų1555 Ų558%0.07928%0.28CS..Hα-helixtrans-72-37.5-177.9-171.367.7000112.4M3 F4 D73 T137 K143M3-L139 HydrophobicContact CE-CD1 3.56Å; M3-L139 HydrophobicContact CE-CD2 3.52Å; M3-L139 HydrophobicContact CE-CG 3.45Å; M3-L139 VanDerWaalsContact CE-CG 3.45Å; F4-L139 HydrophobicContact CE1-CB 4.44Å; F4-L139 HydrophobicContact CE1-CD2 4.11Å; F4-L139 HydrophobicContact CE1-CG 4.03Å; F4-L139 HydrophobicContact CZ-CG 4.27Å; D73-L139 HydrophobicContact CB-CD2 3.9Å; D73-L139 WeakPolarHBondContact OD1-CD2 3.2Å; T137-L139 PolarHBondContact O-N 2.9Å; L139-K143 WeakPolarHBondContact O-CG 3.38Å; L139-K143 PolarHBondContact O-N 3.06Å; L139-K143 VanDerWaalsContact O-N 3.12Å
140Q91.2Very high85.6Confident0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-64.2-42.6170.7-76176.3-42.300110.7F4 K9 I136 T137 R144 V154 A155 N156 M197F4-Q140 HydrophobicContact CD1-CG 3.69Å; F4-Q140 HydrophobicContact CE1-CB 4.34Å; F4-Q140 HydrophobicContact CE1-CG 3.5Å; F4-Q140 VanDerWaalsContact CE1-CG 3.5Å; F4-Q140 HydrophobicContact CG-CG 4.43Å; F4-Q140 HydrophobicContact CZ-CG 4.11Å; K9-Q140 VanDerWaalsContact CE-OE1 3.22Å; K9-Q140 VanDerWaalsContact NZ-OE1 3.12Å; I136-Q140 HydrophobicContact CG2-CB 3.83Å; T137-Q140 PolarHBondContact O-N 3.41Å; T137-Q140 VanDerWaalsContact O-N 3.13Å; T137-Q140 WeakPolarHBondContact OG1-CB 3.38Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.06Å; T137-Q140 PolarHBondContact OG1-N 2.86Å; T137-Q140 VanDerWaalsContact OG1-N 3.12Å; Q140-R144 VanDerWaalsContact O-CB 3.28Å; Q140-R144 WeakPolarHBondContact O-CB 3.47Å; Q140-R144 PolarHBondContact O-N 2.83Å; Q140-V154 HydrophobicContact CB-CG1 4.03Å; Q140-V154 HydrophobicContact CG-CG1 4.02Å; Q140-A155 PolarHBondContact NE2-O 3.44Å; Q140-N156 PolarHBondContact NE2-OD1 2.98Å; Q140-M197 HydrophobicContact CB-SD 4.31Å
141H89.8Confident83.7Confident99 Ų9958.3 Ų58.346%0.45830%0.304SS..Hα-helixtrans-63.4-49.2177.6-174.777.4000111.8I136 T137 E138 K143 R144 T145I136-H141 HydrophobicContact CG2-CB 3.86Å; T137-H141 WeakPolarHBondContact O-CB 3.32Å; T137-H141 PolarHBondContact O-N 3.03Å; E138-H141 PolarHBondContact O-N 2.96Å; H141-K143 PolarHBondContact O-N 3.44Å; H141-R144 PolarHBondContact O-N 3.35Å; H141-T145 WeakPolarHBondContact O-CB 3.32Å; H141-T145 PolarHBondContact O-N 2.69Å; H141-T145 PolarHBondContact O-OG1 3.41Å
142E87.7Confident82Confident84 Ų8464.2 Ų64.239%0.39333%0.331SS..Hα-helixtrans-54-50.1176.4-172.4-153.4122.600111.3E138 T145 A146E138-E142 WeakPolarHBondContact O-CB 3.3Å; E138-E142 PolarHBondContact O-N 3.19Å; E142-T145 PolarHBondContact O-N 2.93Å; E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.4Å; E142-A146 PolarHBondContact O-N 2.59Å
143K86.2Confident80.7Confident63 Ų6373.7 Ų73.727%0.27437%0.367SS..Hα-helixtrans-70.2-33.7179.6-63.6-45.2-179.6-155.20113.1M3 F4 L139 H141 T145 L147 V154M3-K143 HydrophobicContact CE-CD 4.35Å; M3-K143 HydrophobicContact CE-CG 3.76Å; M3-K143 HydrophobicContact SD-CG 4.24Å; F4-K143 HydrophobicContact CE2-CB 4.26Å; F4-K143 HydrophobicContact CE2-CG 4.27Å; F4-K143 HydrophobicContact CZ-CB 4.14Å; F4-K143 HydrophobicContact CZ-CG 3.95Å; L139-K143 WeakPolarHBondContact O-CG 3.38Å; L139-K143 PolarHBondContact O-N 3.06Å; L139-K143 VanDerWaalsContact O-N 3.12Å; H141-K143 PolarHBondContact O-N 3.44Å; K143-T145 VanDerWaalsContact C-N 3.33Å; K143-L147 HydrophobicContact CB-CD1 4.43Å; K143-L147 WeakPolarHBondContact O-CB 3.35Å; K143-L147 VanDerWaalsContact O-CG 3.24Å; K143-L147 WeakPolarHBondContact O-CG 3.42Å; K143-L147 PolarHBondContact O-N 2.75Å; K143-L147 VanDerWaalsContact O-N 3.09Å; K143-V154 HydrophobicContact CB-CG2 4.09Å
144R84.2Confident80.1Confident73 Ų7373.8 Ų73.828%0.27537%0.367SS..Hα-helixtrans-64.4-39.7175-162.6178.672.5168.71.9111.3Q140 H141 A151 V154 D194Q140-R144 VanDerWaalsContact O-CB 3.28Å; Q140-R144 WeakPolarHBondContact O-CB 3.47Å; Q140-R144 PolarHBondContact O-N 2.83Å; H141-R144 PolarHBondContact O-N 3.35Å; R144-A151 HydrophobicContact CG-CB 3.85Å; R144-V154 HydrophobicContact CB-CG2 4.28Å; R144-D194 PolarHBondContact NH1-O 3.42Å; R144-D194 PolarHBondContact NH2-O 3.18Å
145T82Confident79.9Confident81 Ų8174.5 Ų74.550%0.49737%0.373SS..Hα-helixtrans-75.9-38.6179.2-55.30000112.5H141 E142 K143 M148H141-T145 WeakPolarHBondContact O-CB 3.32Å; H141-T145 PolarHBondContact O-N 2.69Å; H141-T145 PolarHBondContact O-OG1 3.41Å; E142-T145 PolarHBondContact O-N 2.93Å; K143-T145 VanDerWaalsContact C-N 3.33Å; T145-M148 WeakPolarHBondContact O-CG 3.24Å
146A77.9Confident79.8Confident73 Ų7370.4 Ų70.460%0.60336%0.355SS*.Hα-helixtrans-73.3-24.6178.900000113.9E142E142-A146 VanDerWaalsContact O-CB 3.29Å; E142-A146 WeakPolarHBondContact O-CB 3.4Å; E142-A146 PolarHBondContact O-N 2.59Å
147L66.9Low80Confident69 Ų6972.2 Ų72.236%0.36136%0.36SS..  trans-103.555.8-177.6-64.1173.2000111.3K143 D149 T150 A151K143-L147 HydrophobicContact CB-CD1 4.43Å; K143-L147 WeakPolarHBondContact O-CB 3.35Å; K143-L147 VanDerWaalsContact O-CG 3.24Å; K143-L147 WeakPolarHBondContact O-CG 3.42Å; K143-L147 PolarHBondContact O-N 2.75Å; K143-L147 VanDerWaalsContact O-N 3.09Å; L147-D149 PolarHBondContact O-N 3.31Å; L147-T150 CarbonylContact O-C 3.54Å; L147-T150 PolarHBondContact O-N 3.44Å; L147-A151 PolarHBondContact O-N 2.98Å
148M60.3Low80.1Confident166 Ų16672.2 Ų72.282%0.81836%0.36SS*.THydrogen-bonded Turntrans-49.1-39.6-171.7-60.8-175.879.600113.9T145T145-M148 WeakPolarHBondContact O-CG 3.24Å
149D56.3Low80.4Confident164 Ų16469.3 Ų69.388%0.87735%0.346SS*.THydrogen-bonded Turntrans-90.8-3.3178-57.7-42.2000115L147L147-D149 PolarHBondContact O-N 3.31Å
150T58.5Low80.9Confident40 Ų4068.6 Ų68.625%0.24534%0.342CS..THydrogen-bonded Turntrans-138.424.6-178.144.90000113.9L147 E152 R153L147-T150 CarbonylContact O-C 3.54Å; L147-T150 PolarHBondContact O-N 3.44Å; T150-E152 PolarHBondContact O-N 2.72Å; T150-E152 VanDerWaalsContact O-N 3.15Å; T150-R153 VanDerWaalsContact O-CB 3.29Å; T150-R153 WeakPolarHBondContact O-CB 3.28Å; T150-R153 WeakPolarHBondContact O-CG 3.2Å; T150-R153 PolarHBondContact O-N 3.11Å
151A59.7Low81.2Confident30 Ų3068.7 Ų68.725%0.24834%0.342CS..G310 helixtrans-53.5-3417900000113.1R144 L147 R153 V154R144-A151 HydrophobicContact CG-CB 3.85Å; L147-A151 PolarHBondContact O-N 2.98Å; A151-R153 PolarHBondContact O-N 3.24Å; A151-R153 VanDerWaalsContact O-N 3.15Å; A151-V154 WeakPolarHBondContact O-CB 3.37Å; A151-V154 WeakPolarHBondContact O-CG2 3.45Å; A151-V154 PolarHBondContact O-N 2.96Å; A151-V154 VanDerWaalsContact O-N 3.08Å
152E61.2Low81.6Confident189 Ų18964 Ų6488%0.88332%0.32SS*.G310 helixtrans-61.6-17.7175.5-59.8-177.6168.800114.1T150 V154T150-E152 PolarHBondContact O-N 2.72Å; T150-E152 VanDerWaalsContact O-N 3.15Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.23Å
153R71.3Confident82.2Confident200 Ų20060 Ų6076%0.75530%0.302SS*.G310 helixtrans-77.6-10.2175.8-59.2-172.9-178.7172.10.4113.2T150 A151 A155T150-R153 VanDerWaalsContact O-CB 3.29Å; T150-R153 WeakPolarHBondContact O-CB 3.28Å; T150-R153 WeakPolarHBondContact O-CG 3.2Å; T150-R153 PolarHBondContact O-N 3.11Å; A151-R153 PolarHBondContact O-N 3.24Å; A151-R153 VanDerWaalsContact O-N 3.15Å; R153-A155 PolarHBondContact O-N 3.37Å; R153-A155 VanDerWaalsContact O-N 3.12Å
154V85.9Confident82.8Confident3 Ų357 Ų572%0.01829%0.289CS..  trans-74.1101.3173.9-174.60000108.3F4 Q140 K143 R144 A151 E152 M197F4-V154 HydrophobicContact CD2-CG1 3.97Å; F4-V154 HydrophobicContact CE2-CB 4.48Å; F4-V154 HydrophobicContact CE2-CG1 3.71Å; F4-V154 HydrophobicContact CZ-CG1 4.12Å; Q140-V154 HydrophobicContact CB-CG1 4.03Å; Q140-V154 HydrophobicContact CG-CG1 4.02Å; K143-V154 HydrophobicContact CB-CG2 4.09Å; R144-V154 HydrophobicContact CB-CG2 4.28Å; A151-V154 WeakPolarHBondContact O-CB 3.37Å; A151-V154 WeakPolarHBondContact O-CG2 3.45Å; A151-V154 PolarHBondContact O-N 2.96Å; A151-V154 VanDerWaalsContact O-N 3.08Å; E152-V154 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.23Å; V154-M197 HydrophobicContact CB-CE 4.1Å; V154-M197 HydrophobicContact CG1-CE 3.83Å; V154-M197 WeakPolarHBondContact O-CE 3.26Å
155A91.3Very high83.4Confident16 Ų1655.3 Ų55.313%0.13229%0.285CS..  trans-72.3146.417800000111.9F4 Q140 R153 R157F4-A155 HydrophobicContact CB-CB 4.1Å; F4-A155 VanDerWaalsContact CB-O 3.26Å; F4-A155 WeakPolarHBondContact CB-O 3.47Å; Q140-A155 PolarHBondContact NE2-O 3.44Å; R153-A155 PolarHBondContact O-N 3.37Å; R153-A155 VanDerWaalsContact O-N 3.12Å; A155-R157 HydrophobicContact CB-CG 4.42Å
156N95.4Very high84Confident1 Ų151.6 Ų51.61%0.00526%0.263CS..  trans-115.7109.8167.2-16935.9000110.2K9 L133 Q140 M197 A198 Q200K9-N156 PolarHBondContact NZ-OD1 3.12Å; L133-N156 PolarHBondContact O-ND2 3.37Å; L133-N156 PolarHBondContact O-OD1 2.75Å; Q140-N156 PolarHBondContact NE2-OD1 2.98Å; N156-M197 HydrophobicContact CB-CB 3.84Å; N156-M197 HydrophobicContact CB-CE 4.17Å; N156-M197 PolarHBondContact ND2-O 3.24Å; N156-A198 WeakPolarHBondContact CB-O 3.26Å; N156-Q200 WeakPolarHBondContact O-CB 3.45Å; N156-Q200 PolarHBondContact O-N 2.97Å
157R96.9Very high84.8Confident73 Ų7355.4 Ų55.428%0.27527%0.266SS..EExtended strand (participates in β ladder)trans-141.4149.9-177.4-55-176.5-174.5-141.7-3.3108.7V6 A155 Q201V6-R157 HydrophobicContact CG2-CB 4.18Å; A155-R157 HydrophobicContact CB-CG 4.42Å; R157-Q201 VanDerWaalsContact CA-O 3.27Å; R157-Q201 WeakPolarHBondContact CA-O 3.43Å; R157-Q201 HydrophobicContact CB-CB 4.27Å; R157-Q201 HydrophobicContact CG-CB 3.91Å
158G97.9Very high86.2Confident0 Ų053.4 Ų53.40%026%0.258CS..EExtended strand (participates in β ladder)trans-163.2176.7178.600000113.6V6 K9 Q201 C202 D203V6-G158 WeakPolarHBondContact O-CA 3.45Å; K9-G158 CarbonylContact O-C 3.57Å; K9-G158 WeakPolarHBondContact O-CA 3.39Å; G158-Q201 PolarHBondContact N-O 3.26Å; G158-Q201 VanDerWaalsContact N-O 3.08Å; G158-C202 WeakPolarHBondContact O-CA 3.18Å; G158-D203 PolarHBondContact O-N 2.68Å
159R98.6Very high88Confident17 Ų1747.6 Ų47.66%0.06423%0.23CC..EExtended strand (participates in β ladder)trans-123140.4177-179.4174.3-71.1120.7-1.4110V6 K9 T10 V11 I161 D203 V205 H254V6-R159 HydrophobicContact CG1-CB 3.89Å; K9-R159 PolarHBondContact O-N 2.98Å; T10-R159 CarbonylContact C-O 3.58Å; T10-R159 WeakPolarHBondContact CA-O 3.48Å; V11-R159 PolarHBondContact N-O 2.95Å; R159-I161 HydrophobicContact CG-CG1 3.91Å; R159-D203 CarbonylContact C-O 3.59Å; R159-D203 WeakPolarHBondContact CA-O 3.43Å; R159-D203 HydrophobicContact CB-CB 4.25Å; R159-D203 HydrophobicContact CG-CB 4.07Å; R159-D203 WeakPolarHBondContact CG-O 3.21Å; R159-D203 IonicContact CZ-OD2 3.94Å; R159-D203 IonicContact NE-OD2 2.66Å; R159-D203 IonicContact NH2-OD2 3.27Å; R159-D203 PolarHBondContact NH2-OD2 3.32Å; R159-D203 VanDerWaalsContact NH2-OD2 3.09Å; R159-V205 HydrophobicContact CG-CG2 4.16Å; R159-H254 WeakPolarHBondContact CD-CE1 3.38Å; R159-H254 WeakPolarHBondContact CD-ND1 3.45Å; R159-H254 VanDerWaalsContact CZ-CD2 3.45Å; R159-H254 VanDerWaalsContact CZ-CG 3.45Å; R159-H254 VanDerWaalsContact NH1-CG 3.29Å; R159-H254 PolarHBondContact NH1-O 3.18Å
160I98.9Very high89.9Confident0 Ų044.3 Ų44.30%022%0.216CC..EExtended strand (participates in β ladder)trans-110.2123.4167-57.7177000107.2V11 V13 L126 A129 V130 L133 D203 L204 V205V11-I160 CarbonylContact O-C 3.55Å; V11-I160 WeakPolarHBondContact O-CA 3.34Å; V13-I160 HydrophobicContact CG2-CG2 3.88Å; L126-I160 HydrophobicContact CD2-CG2 4.12Å; A129-I160 HydrophobicContact CB-CD1 3.9Å; A129-I160 HydrophobicContact CB-CG1 4.17Å; A129-I160 HydrophobicContact CB-CG2 4.14Å; V130-I160 HydrophobicContact CG2-CD1 4.03Å; L133-I160 HydrophobicContact CD1-CD1 4.09Å; L133-I160 HydrophobicContact CD1-CG1 3.86Å; I160-D203 PolarHBondContact N-O 3.13Å; I160-L204 HydrophobicContact CB-CD1 4.05Å; I160-L204 HydrophobicContact CG2-CD1 4.02Å; I160-V205 PolarHBondContact O-N 2.96Å
161I98.9Very high91.7Very high1 Ų143.8 Ų43.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-110.6107.4173.2-52.8178.9000107.1T10 V11 F12 V13 Y62 R159 L163 V205T10-I161 HydrophobicContact CG2-CD1 3.72Å; T10-I161 HydrophobicContact CG2-CG1 4.1Å; V11-I161 PolarHBondContact O-N 3.43Å; F12-I161 WeakPolarHBondContact CA-O 3.41Å; F12-I161 HydrophobicContact CD1-CB 3.91Å; F12-I161 HydrophobicContact CD1-CG2 4.01Å; F12-I161 HydrophobicContact CE1-CB 3.85Å; F12-I161 HydrophobicContact CE1-CD1 4.07Å; F12-I161 HydrophobicContact CE1-CG2 3.63Å; F12-I161 HydrophobicContact CE2-CD1 4.38Å; F12-I161 HydrophobicContact CZ-CB 4.48Å; F12-I161 HydrophobicContact CZ-CD1 3.86Å; F12-I161 HydrophobicContact CZ-CG2 4.44Å; V13-I161 PolarHBondContact N-O 3.14Å; Y62-I161 HydrophobicContact CE1-CD1 4.31Å; Y62-I161 HydrophobicContact CE2-CD1 4Å; R159-I161 HydrophobicContact CG-CG1 3.91Å; I161-L163 HydrophobicContact CG2-CD2 4.08Å; I161-V205 WeakPolarHBondContact CA-O 3.43Å; I161-V205 HydrophobicContact CG1-CB 4.3Å; I161-V205 HydrophobicContact CG2-CB 4.47Å; I161-V205 HydrophobicContact CG2-CG1 4.48Å
162C98.8Very high93.5Very high0 Ų042.6 Ų42.60%020%0.2CC..EExtended strand (participates in β ladder)trans-102.5125-176.9177.50000110.1V13 I122 L126 V205 L206 V207V13-C162 CarbonylContact O-C 3.54Å; V13-C162 VanDerWaalsContact O-CA 3.32Å; V13-C162 WeakPolarHBondContact O-CA 3.5Å; I122-C162 VanDerWaalsContact CG1-SG 3.57Å; L126-C162 HydrophobicContact CD2-CB 3.95Å; C162-V205 PolarHBondContact N-O 2.91Å; C162-L206 HydrophobicContact CB-CD2 3.76Å; C162-V207 PolarHBondContact O-N 3.39Å
163L98.8Very high95.2Very high0 Ų039.6 Ų39.60%018%0.181CC..EExtended strand (participates in β ladder)trans-115107.9-178.8-56-171.1000109.1F12 V13 V14 D15 A55 I161 V207 I209 L247F12-L163 HydrophobicContact CD1-CD1 4.38Å; F12-L163 HydrophobicContact CE1-CD1 4.41Å; V13-L163 PolarHBondContact O-N 2.98Å; V14-L163 HydrophobicContact CG1-CB 4.28Å; V14-L163 HydrophobicContact CG2-CB 4.31Å; V14-L163 HydrophobicContact CG2-CD1 4.05Å; V14-L163 HydrophobicContact CG2-CG 4.34Å; D15-L163 VanDerWaalsContact CB-O 3.24Å; D15-L163 WeakPolarHBondContact CB-O 3.45Å; D15-L163 PolarHBondContact N-O 2.92Å; A55-L163 HydrophobicContact CB-CB 4.23Å; A55-L163 HydrophobicContact CB-CD1 4.04Å; I161-L163 HydrophobicContact CG2-CD2 4.08Å; L163-V207 HydrophobicContact CD2-CB 3.61Å; L163-V207 HydrophobicContact CD2-CG1 4.28Å; L163-V207 HydrophobicContact CD2-CG2 3.73Å; L163-I209 HydrophobicContact CB-CD1 3.9Å; L163-L247 HydrophobicContact CD1-CD2 4.34Å
164T98.3Very high96.4Very high1 Ų133.7 Ų33.71%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-152.1163.2-170.3174.60000112.1D15 I122 V207 H208 I209D15-T164 VanDerWaalsContact OD2-CB 3.28Å; D15-T164 WeakPolarHBondContact OD2-CB 3.5Å; D15-T164 PolarHBondContact OD2-OG1 3.47Å; I122-T164 HydrophobicContact CG1-CG2 4.49Å; T164-V207 PolarHBondContact N-O 2.89Å; T164-H208 CarbonylContact O-C 3.4Å; T164-H208 VanDerWaalsContact O-CA 3.32Å; T164-H208 WeakPolarHBondContact O-CA 3.31Å; T164-I209 PolarHBondContact O-N 3.2Å
165N97.2Very high97Very high37 Ų3733.6 Ų33.620%0.19816%0.162CC..  trans-96.778.6165.2-175.1-101.3000110.3Y19 M20 L51 I209Y19-N165 HydrophobicContact CD2-CB 3.81Å; Y19-N165 HydrophobicContact CE2-CB 3.95Å; M20-N165 HydrophobicContact SD-CB 3.96Å; L51-N165 HydrophobicContact CD1-CB 4.37Å; N165-I209 PolarHBondContact ND2-O 2.98Å
166A95.7Very high97.3Very high4 Ų433 Ų333%0.03316%0.157CC..  trans-63.1145.8174.900000112.7V172 H208 V218A166-V172 HydrophobicContact CB-CG2 3.78Å; A166-H208 PolarHBondContact N-ND1 2.87Å; A166-H208 PolarHBondContact O-CE1 3.47Å; A166-H208 PolarHBondContact O-ND1 3.16Å; A166-V218 HydrophobicContact CB-CG2 4.08Å
167K94.1Very high97.4Very high153 Ų15337 Ų3767%0.66518%0.178SC*.  trans-80.8-31.3-171-65.3175.7179.9174.40114.1H171K167-H171 HydrophobicContact CB-CB 4.17Å; K167-H171 PolarHBondContact N-ND1 3.11Å
168S97.1Very high97.4Very high27 Ų2735.3 Ų35.319%0.18918%0.177CC..  trans-172.3165.1-173.560.20000110.9T170 H171 V172 L217S168-T170 PolarHBondContact O-N 2.88Å; S168-T170 VanDerWaalsContact O-N 3.14Å; S168-T170 PolarHBondContact OG-N 3.34Å; S168-T170 PolarHBondContact OG-OG1 2.84Å; S168-H171 WeakPolarHBondContact O-CB 3.5Å; S168-H171 PolarHBondContact O-N 2.81Å; S168-H171 PolarHBondContact OG-N 2.8Å; S168-H171 VanDerWaalsContact OG-N 3.12Å; S168-V172 WeakPolarHBondContact O-CG2 3.28Å; S168-V172 PolarHBondContact O-N 2.7Å; S168-L217 CarbonylContact C-O 3.58Å; S168-L217 WeakPolarHBondContact CA-O 3.4Å
169D96.9Very high97.3Very high43 Ų4335.4 Ų35.423%0.2318%0.178CC..Hα-helixtrans-55.8-25.1168.9-77.2-17.8000114.2R173 L217 V218 S219D169-R173 WeakPolarHBondContact O-CG 3.07Å; D169-R173 PolarHBondContact O-N 3.09Å; D169-R173 PolarHBondContact O-NE 2.95Å; D169-L217 PolarHBondContact N-O 2.96Å; D169-V218 WeakPolarHBondContact OD1-CA 3.38Å; D169-S219 PolarHBondContact OD1-N 3.24Å; D169-S219 PolarHBondContact OD1-OG 3.04Å; D169-S219 PolarHBondContact OD2-OG 3.16Å
170T97.3Very high97.3Very high96 Ų9637.6 Ų37.659%0.58919%0.188SC*.Hα-helixtrans-76.7-38.3174.450.10000112.3S168 M174S168-T170 PolarHBondContact O-N 2.88Å; S168-T170 VanDerWaalsContact O-N 3.14Å; S168-T170 PolarHBondContact OG-N 3.34Å; S168-T170 PolarHBondContact OG-OG1 2.84Å; T170-M174 PolarHBondContact O-N 2.9Å
171H96.4Very high97.2Very high29 Ų2943.6 Ų43.613%0.13422%0.217CC..Hα-helixtrans-63.4-45.3170.5-176.2-175.8000109.9K167 S168 R173 M174 L175K167-H171 HydrophobicContact CB-CB 4.17Å; K167-H171 PolarHBondContact N-ND1 3.11Å; S168-H171 WeakPolarHBondContact O-CB 3.5Å; S168-H171 PolarHBondContact O-N 2.81Å; S168-H171 PolarHBondContact OG-N 2.8Å; S168-H171 VanDerWaalsContact OG-N 3.12Å; H171-R173 PolarHBondContact O-N 2.91Å; H171-M174 WeakPolarHBondContact O-CB 3.35Å; H171-M174 PolarHBondContact O-N 3.34Å; H171-M174 VanDerWaalsContact O-N 3.15Å; H171-L175 PolarHBondContact O-N 2.98Å; H171-L175 VanDerWaalsContact O-N 3.14Å
172V97.1Very high97.2Very high4 Ų444.5 Ų44.52%0.02422%0.222CC..Hα-helixtrans-52.5-51.2176.2167.90000111.6A166 S168 M174 L175 E176 L206 V218 V234A166-V172 HydrophobicContact CB-CG2 3.78Å; S168-V172 WeakPolarHBondContact O-CG2 3.28Å; S168-V172 PolarHBondContact O-N 2.7Å; V172-M174 VanDerWaalsContact C-N 3.34Å; V172-M174 PolarHBondContact O-N 2.93Å; V172-L175 WeakPolarHBondContact O-CB 3.39Å; V172-L175 PolarHBondContact O-N 3.47Å; V172-L175 VanDerWaalsContact O-N 3.12Å; V172-E176 WeakPolarHBondContact O-CG 3.36Å; V172-E176 PolarHBondContact O-N 3.38Å; V172-L206 HydrophobicContact CG1-CD1 4.19Å; V172-V218 HydrophobicContact CG2-CG1 3.83Å; V172-V218 HydrophobicContact CG2-CG2 4.15Å; V172-V234 HydrophobicContact CG1-CG1 4.24Å; V172-V234 HydrophobicContact CG1-CG2 3.65Å
173R96.8Very high97.1Very high127 Ų12744.5 Ų44.548%0.47922%0.222SC..Hα-helixtrans-59.6-41.4179.1-69.9168.6-153.2148.79.2113D169 H171 L175 E176 D177D169-R173 WeakPolarHBondContact O-CG 3.07Å; D169-R173 PolarHBondContact O-N 3.09Å; D169-R173 PolarHBondContact O-NE 2.95Å; H171-R173 PolarHBondContact O-N 2.91Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.1Å; R173-E176 WeakPolarHBondContact O-CB 3.27Å; R173-E176 PolarHBondContact O-N 3.11Å; R173-D177 VanDerWaalsContact O-CG 3.3Å; R173-D177 PolarHBondContact O-N 2.74Å
174M97.3Very high97Very high76 Ų7646.9 Ų46.937%0.37424%0.239SC..Hα-helixtrans-57.7-41.7175.6174.6-85.4-8200111.8L123 T170 H171 V172 E176 D177 C178L123-M174 HydrophobicContact CD1-CE 4.46Å; L123-M174 HydrophobicContact CD1-SD 4.13Å; L123-M174 HydrophobicContact CD2-SD 4.33Å; T170-M174 PolarHBondContact O-N 2.9Å; H171-M174 WeakPolarHBondContact O-CB 3.35Å; H171-M174 PolarHBondContact O-N 3.34Å; H171-M174 VanDerWaalsContact O-N 3.15Å; V172-M174 VanDerWaalsContact C-N 3.34Å; V172-M174 PolarHBondContact O-N 2.93Å; M174-E176 VanDerWaalsContact C-N 3.29Å; M174-E176 PolarHBondContact O-N 3.29Å; M174-D177 PolarHBondContact O-N 3.23Å; M174-C178 WeakPolarHBondContact O-CB 3.32Å; M174-C178 PolarHBondContact O-N 2.88Å; M174-C178 PolarHBondContact O-SG 3.1Å
175L97.3Very high97Very high0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-61.9-37.6175.5-58.7178.7000112I122 L123 L126 H171 V172 R173 I179 L206I122-L175 HydrophobicContact CG2-CD1 4.09Å; I122-L175 HydrophobicContact CG2-CD2 3.76Å; L123-L175 HydrophobicContact CD2-CD2 3.6Å; L123-L175 HydrophobicContact CG-CD2 3.97Å; L126-L175 HydrophobicContact CD1-CB 4.29Å; L126-L175 HydrophobicContact CD1-CD2 4.1Å; H171-L175 PolarHBondContact O-N 2.98Å; H171-L175 VanDerWaalsContact O-N 3.14Å; V172-L175 WeakPolarHBondContact O-CB 3.39Å; V172-L175 PolarHBondContact O-N 3.47Å; V172-L175 VanDerWaalsContact O-N 3.12Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.1Å; L175-I179 VanDerWaalsContact O-CD1 3.28Å; L175-I179 WeakPolarHBondContact O-CD1 3.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.1Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-I179 VanDerWaalsContact O-N 3.12Å; L175-L206 HydrophobicContact CD1-CD2 4.15Å
176E97.6Very high96.9Very high4 Ų452.1 Ų52.12%0.01926%0.262CS..Hα-helixtrans-67.8-45.4177.7-55.3-176.684.900112.5V172 R173 M174 I179 Q180 L204 L206 R221 I226 S232V172-E176 WeakPolarHBondContact O-CG 3.36Å; V172-E176 PolarHBondContact O-N 3.38Å; R173-E176 WeakPolarHBondContact O-CB 3.27Å; R173-E176 PolarHBondContact O-N 3.11Å; M174-E176 VanDerWaalsContact C-N 3.29Å; M174-E176 PolarHBondContact O-N 3.29Å; E176-I179 PolarHBondContact O-N 2.94Å; E176-Q180 PolarHBondContact O-N 2.88Å; E176-L204 HydrophobicContact CG-CD2 4.27Å; E176-L206 HydrophobicContact CG-CD1 3.96Å; E176-R221 IonicContact OE1-CZ 2.85Å; E176-R221 IonicContact OE1-NH1 3.36Å; E176-R221 IonicContact OE1-NH2 3.3Å; E176-R221 PolarHBondContact OE1-NH2 2.97Å; E176-R221 IonicContact OE2-CZ 3.14Å; E176-R221 IonicContact OE2-NH1 2.7Å; E176-R221 PolarHBondContact OE2-NH1 2.83Å; E176-R221 IonicContact OE2-NH2 3.83Å; E176-R221 PolarHBondContact OE2-NH2 2.65Å; E176-R221 VanDerWaalsContact OE2-NH2 3.11Å; E176-I226 WeakPolarHBondContact OE1-CD1 3.43Å; E176-S232 WeakPolarHBondContact OE1-CB 3.37Å; E176-S232 PolarHBondContact OE1-OG 3.2Å
177D97.3Very high97Very high85 Ų8553 Ų5346%0.45527%0.266SS..Hα-helixtrans-62.3-45.9179.2-63.7-28.2000109.8R173 M174 I179 Q180 E181R173-D177 VanDerWaalsContact O-CG 3.3Å; R173-D177 PolarHBondContact O-N 2.74Å; M174-D177 PolarHBondContact O-N 3.23Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 3.4Å; D177-Q180 WeakPolarHBondContact O-CB 3.43Å; D177-Q180 PolarHBondContact O-N 2.84Å; D177-E181 WeakPolarHBondContact O-CG 3.36Å; D177-E181 PolarHBondContact O-N 2.74Å
178C96.7Very high97.1Very high38 Ų3853 Ų5326%0.25727%0.266SS..Hα-helixtrans-59.3-39.9174.2-69.70000113L123 M174 T182L123-C178 HydrophobicContact CD2-CB 3.85Å; M174-C178 WeakPolarHBondContact O-CB 3.32Å; M174-C178 PolarHBondContact O-N 2.88Å; M174-C178 PolarHBondContact O-SG 3.1Å; C178-T182 WeakPolarHBondContact O-CB 3.46Å; C178-T182 PolarHBondContact O-N 3.35Å; C178-T182 PolarHBondContact O-OG1 2.81Å
179I97.4Very high96.9Very high2 Ų256.8 Ų56.81%0.0128%0.284CS..Hα-helixtrans-68.5-39.9176.6-68.8161.2000110.9L126 V130 L175 E176 D177 T182 I183 L204 L230L126-I179 HydrophobicContact CB-CD1 4.4Å; L126-I179 HydrophobicContact CB-CG1 4.21Å; L126-I179 HydrophobicContact CD1-CD1 4.02Å; L126-I179 HydrophobicContact CD1-CG1 4.45Å; L126-I179 HydrophobicContact CD2-CD1 3.77Å; L126-I179 HydrophobicContact CD2-CG1 4.44Å; L126-I179 HydrophobicContact CG-CD1 4.27Å; V130-I179 HydrophobicContact CG2-CG2 4.18Å; L175-I179 VanDerWaalsContact O-CD1 3.28Å; L175-I179 WeakPolarHBondContact O-CD1 3.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.1Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-I179 VanDerWaalsContact O-N 3.12Å; E176-I179 PolarHBondContact O-N 2.94Å; D177-I179 VanDerWaalsContact C-N 3.34Å; D177-I179 PolarHBondContact O-N 3.4Å; I179-T182 PolarHBondContact O-N 3.42Å; I179-I183 HydrophobicContact CG2-CD1 3.74Å; I179-I183 HydrophobicContact CG2-CG1 4.32Å; I179-I183 WeakPolarHBondContact O-CB 3.41Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.37Å; I179-I183 PolarHBondContact O-N 2.84Å; I179-L204 HydrophobicContact CD1-CD1 3.78Å; I179-L204 HydrophobicContact CD1-CD2 3.45Å; I179-L204 VanDerWaalsContact CD1-CD2 3.45Å; I179-L204 HydrophobicContact CD1-CG 4.25Å; I179-L230 HydrophobicContact CB-CD2 4.37Å; I179-L230 HydrophobicContact CG2-CD1 4.12Å; I179-L230 HydrophobicContact CG2-CD2 3.98Å
180Q97.3Very high96.8Very high62 Ų6255 Ų5529%0.2928%0.275SS..Hα-helixtrans-61.1-45.2175.8173177.8-23.900111.9E176 D177 S184 I226 L230E176-Q180 PolarHBondContact O-N 2.88Å; D177-Q180 WeakPolarHBondContact O-CB 3.43Å; D177-Q180 PolarHBondContact O-N 2.84Å; Q180-S184 WeakPolarHBondContact O-CB 3.36Å; Q180-S184 PolarHBondContact O-N 3.37Å; Q180-S184 VanDerWaalsContact O-N 3.11Å; Q180-S184 PolarHBondContact O-OG 3.47Å; Q180-I226 VanDerWaalsContact OE1-CG2 3.31Å; Q180-L230 HydrophobicContact CB-CD2 3.98Å
181E97.4Very high96.4Very high127 Ų12754.7 Ų54.759%0.59328%0.282SS*.Hα-helixtrans-62.9-49.4175.9-70.8179.7166.400110.5D177 I183 S184 E185D177-E181 WeakPolarHBondContact O-CG 3.36Å; D177-E181 PolarHBondContact O-N 2.74Å; E181-I183 PolarHBondContact O-N 3.46Å; E181-S184 CarbonylContact O-C 3.47Å; E181-S184 WeakPolarHBondContact O-CA 3.39Å; E181-S184 VanDerWaalsContact O-CB 3.32Å; E181-S184 WeakPolarHBondContact O-CB 3.43Å; E181-S184 PolarHBondContact O-N 3.07Å; E181-E185 PolarHBondContact O-N 3.24Å
182T97.8Very high96Very high19 Ų1956.9 Ų56.912%0.11731%0.312CS..Hα-helixtrans-58.7-43.6178.6-52.20000112.3V127 V130 C178 I179 S184 E185 Q186V127-T182 HydrophobicContact CB-CG2 4.42Å; V127-T182 HydrophobicContact CG1-CG2 4.09Å; V127-T182 HydrophobicContact CG2-CG2 4.27Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG1-CG2 3.93Å; V130-T182 HydrophobicContact CG2-CG2 4.15Å; C178-T182 WeakPolarHBondContact O-CB 3.46Å; C178-T182 PolarHBondContact O-N 3.35Å; C178-T182 PolarHBondContact O-OG1 2.81Å; I179-T182 PolarHBondContact O-N 3.42Å; T182-S184 VanDerWaalsContact C-N 3.27Å; T182-S184 PolarHBondContact O-N 2.86Å; T182-E185 PolarHBondContact O-N 3.09Å; T182-Q186 HydrophobicContact CG2-CG 4.06Å; T182-Q186 WeakPolarHBondContact O-CB 3.48Å; T182-Q186 VanDerWaalsContact O-CG 3.3Å; T182-Q186 WeakPolarHBondContact O-CG 3.32Å; T182-Q186 PolarHBondContact O-N 3.23Å
183I98.1Very high95.6Very high1 Ų158.7 Ų58.71%0.00533%0.325CS..Hα-helixtrans-59.7-41174.5-72.2166.7000110.5V130 I179 E181 E185 N187 I199 C202 L229 L230V130-I183 HydrophobicContact CB-CG1 4.47Å; V130-I183 HydrophobicContact CG1-CB 4.34Å; V130-I183 HydrophobicContact CG1-CG1 3.69Å; V130-I183 HydrophobicContact CG2-CG1 3.87Å; I179-I183 HydrophobicContact CG2-CD1 3.74Å; I179-I183 HydrophobicContact CG2-CG1 4.32Å; I179-I183 WeakPolarHBondContact O-CB 3.41Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.37Å; I179-I183 PolarHBondContact O-N 2.84Å; E181-I183 PolarHBondContact O-N 3.46Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 2.78Å; I183-N187 WeakPolarHBondContact O-CB 3.3Å; I183-N187 VanDerWaalsContact O-CG 3.23Å; I183-N187 PolarHBondContact O-N 3.47Å; I183-I199 HydrophobicContact CG1-CD1 4.36Å; I183-C202 HydrophobicContact CD1-CB 3.87Å; I183-L229 HydrophobicContact CG2-CB 4.19Å; I183-L229 HydrophobicContact CG2-CD1 3.95Å; I183-L230 HydrophobicContact CD1-CB 4.34Å; I183-L230 HydrophobicContact CD1-CD1 4.01Å
184S97Very high94.9Very high50 Ų5059.2 Ų59.235%0.3534%0.338SS..Hα-helixtrans-68.2-32.4-178.9-57.70000112.5Q180 E181 T182 K188Q180-S184 WeakPolarHBondContact O-CB 3.36Å; Q180-S184 PolarHBondContact O-N 3.37Å; Q180-S184 VanDerWaalsContact O-N 3.11Å; Q180-S184 PolarHBondContact O-OG 3.47Å; E181-S184 CarbonylContact O-C 3.47Å; E181-S184 WeakPolarHBondContact O-CA 3.39Å; E181-S184 VanDerWaalsContact O-CB 3.32Å; E181-S184 WeakPolarHBondContact O-CB 3.43Å; E181-S184 PolarHBondContact O-N 3.07Å; T182-S184 VanDerWaalsContact C-N 3.27Å; T182-S184 PolarHBondContact O-N 2.86Å; S184-K188 WeakPolarHBondContact O-CE 3.46Å; S184-K188 WeakPolarHBondContact O-CG 3.49Å
185E96.6Very high94.4Very high122 Ų12265.9 Ų65.957%0.5736%0.359SS*.Hα-helixtrans-79-49.2175.5-66.5-171.6157.300112.3E181 T182 I183 N187 K188 L189E181-E185 PolarHBondContact O-N 3.24Å; T182-E185 PolarHBondContact O-N 3.09Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 2.78Å; E185-N187 PolarHBondContact O-N 3.45Å; E185-K188 WeakPolarHBondContact O-CB 3.32Å; E185-K188 PolarHBondContact O-N 3.41Å; E185-L189 PolarHBondContact O-N 3.2Å; E185-L189 VanDerWaalsContact O-N 3.14Å
186Q96.4Very high94.3Very high26 Ų2667.9 Ų67.912%0.12137%0.369CS..Hα-helixtrans-62.8-30.6179-69.1-67.8-16.700112.3V130 E131 T182 L189 A190V130-Q186 HydrophobicContact CG1-CB 3.99Å; V130-Q186 HydrophobicContact CG1-CG 3.98Å; E131-Q186 HydrophobicContact CG-CG 4.31Å; E131-Q186 PolarHBondContact OE1-NE2 3.32Å; E131-Q186 VanDerWaalsContact OE1-NE2 3.09Å; T182-Q186 HydrophobicContact CG2-CG 4.06Å; T182-Q186 WeakPolarHBondContact O-CB 3.48Å; T182-Q186 VanDerWaalsContact O-CG 3.3Å; T182-Q186 WeakPolarHBondContact O-CG 3.32Å; T182-Q186 PolarHBondContact O-N 3.23Å; Q186-L189 PolarHBondContact O-N 2.98Å; Q186-A190 VanDerWaalsContact O-CB 3.3Å; Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 3Å
187N96.6Very high94.1Very high23 Ų2368.8 Ų68.812%0.12337%0.374CS..Hα-helixtrans-67.9-32.6171.6-81.1-3.4000113.6I183 E185 A191 A198 I199 L229I183-N187 WeakPolarHBondContact O-CB 3.3Å; I183-N187 VanDerWaalsContact O-CG 3.23Å; I183-N187 PolarHBondContact O-N 3.47Å; E185-N187 PolarHBondContact O-N 3.45Å; N187-A191 PolarHBondContact O-N 2.91Å; N187-A198 HydrophobicContact CB-CB 4.26Å; N187-A198 VanDerWaalsContact OD1-CA 3.32Å; N187-A198 WeakPolarHBondContact OD1-CA 3.44Å; N187-I199 PolarHBondContact ND2-O 2.87Å; N187-I199 PolarHBondContact OD1-N 3.38Å; N187-L229 WeakPolarHBondContact ND2-CD1 3.22Å
188K96.1Very high94Very high153 Ų15366.6 Ų66.667%0.66537%0.368SS*.Hα-helixtrans-67.7-41.7173.1-64.3163.2-168.3166.10110.6S184 E185 A191S184-K188 WeakPolarHBondContact O-CE 3.46Å; S184-K188 WeakPolarHBondContact O-CG 3.49Å; E185-K188 WeakPolarHBondContact O-CB 3.32Å; E185-K188 PolarHBondContact O-N 3.41Å; K188-A191 PolarHBondContact O-N 2.85Å
189L94.6Very high94Very high105 Ų10564.9 Ų64.955%0.5536%0.356SS..Hα-helixtrans-64.7-42.9175.3-63.7175.9000111.6E185 Q186 A191 G192E185-L189 PolarHBondContact O-N 3.2Å; E185-L189 VanDerWaalsContact O-N 3.14Å; Q186-L189 PolarHBondContact O-N 2.98Å; L189-A191 VanDerWaalsContact C-N 3.32Å; L189-A191 PolarHBondContact O-N 2.96Å; L189-G192 PolarHBondContact O-N 3.34Å
190A93Very high94Very high7 Ų768.8 Ų68.86%0.05837%0.374CS..Hα-helixtrans-65.6-32178.500000113.1Q186 G192 S193 L196 A198Q186-A190 VanDerWaalsContact O-CB 3.3Å; Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 3Å; A190-G192 PolarHBondContact O-N 3.37Å; A190-S193 PolarHBondContact O-N 3.2Å; A190-L196 HydrophobicContact CB-CB 3.77Å; A190-L196 HydrophobicContact CB-CD1 4.47Å; A190-A198 HydrophobicContact CB-CB 4.4Å
191A90.4Very high93.9Very high88 Ų8868.3 Ų68.373%0.72737%0.372SS*.Hα-helixtrans-64.3-21.7175.300000113.6N187 K188 L189N187-A191 PolarHBondContact O-N 2.91Å; K188-A191 PolarHBondContact O-N 2.85Å; L189-A191 VanDerWaalsContact C-N 3.32Å; L189-A191 PolarHBondContact O-N 2.96Å
192G87Confident94Very high75 Ų7562.3 Ų62.377%0.77334%0.344SS*.THydrogen-bonded Turntrans-10112.8176.500000115L189 A190L189-G192 PolarHBondContact O-N 3.34Å; A190-G192 PolarHBondContact O-N 3.37Å
193S88.7Confident94Very high42 Ų4261.8 Ų61.829%0.29434%0.34SS..  trans-136.9119.6-170.2179.20000113.7A190 R195 L196A190-S193 PolarHBondContact O-N 3.2Å; S193-R195 PolarHBondContact O-N 3.41Å; S193-R195 VanDerWaalsContact O-N 3.08Å; S193-R195 PolarHBondContact OG-N 3.26Å; S193-L196 PolarHBondContact O-N 2.74Å
194D83.1Confident94Very high139 Ų13961.8 Ų61.874%0.74334%0.34SS*.THydrogen-bonded Turntrans-62.4-17.6175.7-63.2-43.8000113.9R144R144-D194 PolarHBondContact NH1-O 3.42Å; R144-D194 PolarHBondContact NH2-O 3.18Å
195R86.8Confident94.1Very high215 Ų21559.5 Ų59.581%0.81132%0.324SS*.THydrogen-bonded Turntrans-98.6-4.3-175.1-61.6-175-178.8-172.20.6114I136 S193I136-R195 VanDerWaalsContact CD1-C 3.5Å; I136-R195 WeakPolarHBondContact CD1-O 3.28Å; I136-R195 WeakPolarHBondContact CG1-O 3.42Å; S193-R195 PolarHBondContact O-N 3.41Å; S193-R195 VanDerWaalsContact O-N 3.08Å; S193-R195 PolarHBondContact OG-N 3.26Å
196L93.4Very high94.2Very high42 Ų4253.9 Ų53.922%0.2230%0.298CS..BIsolated β-bridgetrans-121167.7179.3-61.5177.1000110.4C134 K135 A190 S193C134-L196 HydrophobicContact CB-CD2 4.21Å; C134-L196 CarbonylContact O-C 3.52Å; C134-L196 WeakPolarHBondContact O-CA 3.34Å; K135-L196 HydrophobicContact CG-CD2 4.32Å; A190-L196 HydrophobicContact CB-CB 3.77Å; A190-L196 HydrophobicContact CB-CD1 4.47Å; S193-L196 PolarHBondContact O-N 2.74Å
197M94.3Very high94.3Very high23 Ų2352.7 Ų52.711%0.11329%0.292CS..  trans-138.4129171.8-72.9176.477.500110.1C134 I136 Q140 V154 N156 I199C134-M197 PolarHBondContact O-N 3.08Å; I136-M197 HydrophobicContact CD1-CG 4.02Å; I136-M197 HydrophobicContact CD1-SD 4.39Å; I136-M197 HydrophobicContact CG1-CG 3.8Å; I136-M197 HydrophobicContact CG1-SD 4.02Å; I136-M197 HydrophobicContact CG2-SD 4.35Å; Q140-M197 HydrophobicContact CB-SD 4.31Å; V154-M197 HydrophobicContact CB-CE 4.1Å; V154-M197 HydrophobicContact CG1-CE 3.83Å; V154-M197 WeakPolarHBondContact O-CE 3.26Å; N156-M197 HydrophobicContact CB-CB 3.84Å; N156-M197 HydrophobicContact CB-CE 4.17Å; N156-M197 PolarHBondContact ND2-O 3.24Å; M197-I199 PolarHBondContact O-N 3.14Å
198A95.2Very high94.4Very high40 Ų4052 Ų5233%0.33129%0.288SS..  trans-58.7132.417600000111.3N156 N187 A190 Q200N156-A198 WeakPolarHBondContact CB-O 3.26Å; N187-A198 HydrophobicContact CB-CB 4.26Å; N187-A198 VanDerWaalsContact OD1-CA 3.32Å; N187-A198 WeakPolarHBondContact OD1-CA 3.44Å; A190-A198 HydrophobicContact CB-CB 4.4Å; A198-Q200 PolarHBondContact O-N 2.84Å
199I97.3Very high94.5Very high2 Ų244.7 Ų44.71%0.0126%0.257CS..  trans-69.6117.1176.6-58.6166.9000108.4V130 L133 I183 N187 M197 C202V130-I199 HydrophobicContact CG1-CD1 3.8Å; L133-I199 HydrophobicContact CB-CD1 3.65Å; L133-I199 HydrophobicContact CB-CG1 4Å; L133-I199 HydrophobicContact CD1-CD1 4.36Å; I183-I199 HydrophobicContact CG1-CD1 4.36Å; N187-I199 PolarHBondContact ND2-O 2.87Å; N187-I199 PolarHBondContact OD1-N 3.38Å; M197-I199 PolarHBondContact O-N 3.14Å; I199-C202 HydrophobicContact CG2-CB 4.09Å
200Q96Very high94.6Very high84 Ų8440.5 Ų40.539%0.39323%0.234SC..SBendtrans-92.9-21.2-179.9-61.1165.3-11.800112.6N156 A198N156-Q200 WeakPolarHBondContact O-CB 3.45Å; N156-Q200 PolarHBondContact O-N 2.97Å; A198-Q200 PolarHBondContact O-N 2.84Å
201Q96.9Very high94.8Very high52 Ų5240.2 Ų40.224%0.24323%0.231CC..EExtended strand (participates in β ladder)trans-161.1127.7176.4-172.2-178.20.400110V6 R157 G158 L229V6-Q201 HydrophobicContact CG2-CB 4.43Å; V6-Q201 HydrophobicContact CG2-CG 3.92Å; R157-Q201 VanDerWaalsContact CA-O 3.27Å; R157-Q201 WeakPolarHBondContact CA-O 3.43Å; R157-Q201 HydrophobicContact CB-CB 4.27Å; R157-Q201 HydrophobicContact CG-CB 3.91Å; G158-Q201 PolarHBondContact N-O 3.26Å; G158-Q201 VanDerWaalsContact N-O 3.08Å; Q201-L229 CarbonylContact C-O 3.52Å
202C98.4Very high95Very high0 Ų038.2 Ų38.20%021%0.207CC..EExtended strand (participates in β ladder)trans-121.5124.7172.8-171.20000110G158 I183 I199 L229 L230 T231G158-C202 WeakPolarHBondContact O-CA 3.18Å; I183-C202 HydrophobicContact CD1-CB 3.87Å; I199-C202 HydrophobicContact CG2-CB 4.09Å; C202-L229 PolarHBondContact N-O 2.91Å; C202-L230 HydrophobicContact CB-CD1 4.04Å; C202-T231 PolarHBondContact O-N 2.84Å
203D98.4Very high95.2Very high9 Ų938.5 Ų38.55%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-92.6118.9163.1-833.9000108.5V6 G158 R159 I160 K223 T231V6-D203 HydrophobicContact CG1-CB 3.79Å; G158-D203 PolarHBondContact O-N 2.68Å; R159-D203 CarbonylContact C-O 3.59Å; R159-D203 WeakPolarHBondContact CA-O 3.43Å; R159-D203 HydrophobicContact CB-CB 4.25Å; R159-D203 HydrophobicContact CG-CB 4.07Å; R159-D203 WeakPolarHBondContact CG-O 3.21Å; R159-D203 IonicContact CZ-OD2 3.94Å; R159-D203 IonicContact NE-OD2 2.66Å; R159-D203 IonicContact NH2-OD2 3.27Å; R159-D203 PolarHBondContact NH2-OD2 3.32Å; R159-D203 VanDerWaalsContact NH2-OD2 3.09Å; I160-D203 PolarHBondContact N-O 3.13Å; D203-K223 WeakPolarHBondContact OD1-CE 3.45Å; D203-K223 IonicContact OD1-NZ 3.11Å; D203-K223 PolarHBondContact OD1-NZ 3.23Å; D203-K223 IonicContact OD2-NZ 2.68Å; D203-K223 PolarHBondContact OD2-NZ 3.13Å; D203-T231 CarbonylContact C-O 3.53Å; D203-T231 WeakPolarHBondContact CA-O 3.37Å
204L98.6Very high95.3Very high1 Ų139.7 Ų39.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-97129.6169.1175.563000109.9I160 E176 I179 L206 L230 T231 S232 E233I160-L204 HydrophobicContact CB-CD1 4.05Å; I160-L204 HydrophobicContact CG2-CD1 4.02Å; E176-L204 HydrophobicContact CG-CD2 4.27Å; I179-L204 HydrophobicContact CD1-CD1 3.78Å; I179-L204 HydrophobicContact CD1-CD2 3.45Å; I179-L204 VanDerWaalsContact CD1-CD2 3.45Å; I179-L204 HydrophobicContact CD1-CG 4.25Å; L204-L206 HydrophobicContact CD1-CG 4.13Å; L204-L206 HydrophobicContact CD2-CD1 3.77Å; L204-L206 HydrophobicContact CD2-CG 4.14Å; L204-L206 HydrophobicContact CG-CD1 4.17Å; L204-L206 HydrophobicContact CG-CG 4.03Å; L204-L230 HydrophobicContact CB-CD1 3.84Å; L204-T231 PolarHBondContact N-O 2.82Å; L204-S232 CarbonylContact O-C 3.49Å; L204-S232 WeakPolarHBondContact O-CA 3.31Å; L204-E233 PolarHBondContact O-N 2.84Å
205V98.7Very high95.7Very high1 Ų142.3 Ų42.31%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-123.496.6177.5-176.20000107.4R159 I160 I161 C162 V207 E233 L250R159-V205 HydrophobicContact CG-CG2 4.16Å; I160-V205 PolarHBondContact O-N 2.96Å; I161-V205 WeakPolarHBondContact CA-O 3.43Å; I161-V205 HydrophobicContact CG1-CB 4.3Å; I161-V205 HydrophobicContact CG2-CB 4.47Å; I161-V205 HydrophobicContact CG2-CG1 4.48Å; C162-V205 PolarHBondContact N-O 2.91Å; V205-V207 HydrophobicContact CG1-CG2 4.24Å; V205-E233 HydrophobicContact CB-CG 4.33Å; V205-E233 HydrophobicContact CG1-CG 4.24Å; V205-E233 HydrophobicContact CG2-CG 3.96Å; V205-L250 HydrophobicContact CG1-CD1 4.05Å; V205-L250 HydrophobicContact CG1-CD2 4.41Å
206L98.6Very high96Very high5 Ų534.3 Ų34.33%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-87.8116.3177.5-81159.6000109.2C162 V172 L175 E176 L204 E233 V234 H235C162-L206 HydrophobicContact CB-CD2 3.76Å; V172-L206 HydrophobicContact CG1-CD1 4.19Å; L175-L206 HydrophobicContact CD1-CD2 4.15Å; E176-L206 HydrophobicContact CG-CD1 3.96Å; L204-L206 HydrophobicContact CD1-CG 4.13Å; L204-L206 HydrophobicContact CD2-CD1 3.77Å; L204-L206 HydrophobicContact CD2-CG 4.14Å; L204-L206 HydrophobicContact CG-CD1 4.17Å; L204-L206 HydrophobicContact CG-CG 4.03Å; L206-E233 PolarHBondContact N-O 3.16Å; L206-V234 HydrophobicContact CB-CG2 4.29Å; L206-V234 CarbonylContact O-C 3.52Å; L206-V234 VanDerWaalsContact O-CA 3.31Å; L206-V234 WeakPolarHBondContact O-CA 3.39Å; L206-H235 PolarHBondContact O-N 3.24Å
207V98.6Very high96Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-108.6104.3175.2-169.80000108.3C162 L163 T164 V205 I209 H235 V237 L243 L250C162-V207 PolarHBondContact O-N 3.39Å; L163-V207 HydrophobicContact CD2-CB 3.61Å; L163-V207 HydrophobicContact CD2-CG1 4.28Å; L163-V207 HydrophobicContact CD2-CG2 3.73Å; T164-V207 PolarHBondContact N-O 2.89Å; V205-V207 HydrophobicContact CG1-CG2 4.24Å; V207-I209 HydrophobicContact CG1-CG1 4.2Å; V207-H235 CarbonylContact C-O 3.57Å; V207-H235 WeakPolarHBondContact CA-O 3.46Å; V207-V237 HydrophobicContact CG1-CB 4.46Å; V207-V237 HydrophobicContact CG1-CG2 4.08Å; V207-L243 HydrophobicContact CG1-CD1 3.65Å; V207-L250 HydrophobicContact CG2-CD1 4.38Å
208H98.4Very high96.1Very high8 Ų837.8 Ų37.84%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-77.7119.2170.816679.1000109T164 A166 Y210 T216 V218 H235 S236 V237T164-H208 CarbonylContact O-C 3.4Å; T164-H208 VanDerWaalsContact O-CA 3.32Å; T164-H208 WeakPolarHBondContact O-CA 3.31Å; A166-H208 PolarHBondContact N-ND1 2.87Å; A166-H208 PolarHBondContact O-CE1 3.47Å; A166-H208 PolarHBondContact O-ND1 3.16Å; H208-Y210 AromaticContact CD2-CD1 3.52Å; H208-Y210 AromaticContact NE2-CD1 3.44Å; H208-Y210 WeakPolarHBondContact NE2-CD1 3.02Å; H208-Y210 AromaticContact NE2-CG 3.87Å; H208-T216 PolarHBondContact CD2-OG1 3.35Å; H208-T216 PolarHBondContact NE2-OG1 3.29Å; H208-V218 HydrophobicContact CB-CB 4.17Å; H208-V218 HydrophobicContact CB-CG1 3.73Å; H208-V218 HydrophobicContact CB-CG2 4.46Å; H208-H235 PolarHBondContact N-O 3.34Å; H208-S236 PolarHBondContact CD2-OG 3.39Å; H208-V237 PolarHBondContact O-N 3.07Å
209I98.1Very high96.1Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-108.3125.3-176.8-52.9171.1000109.1L51 A55 L163 T164 N165 V207 V237 A239 L243L51-I209 HydrophobicContact CD2-CG2 4.27Å; A55-I209 HydrophobicContact CB-CD1 3.71Å; L163-I209 HydrophobicContact CB-CD1 3.9Å; T164-I209 PolarHBondContact O-N 3.2Å; N165-I209 PolarHBondContact ND2-O 2.98Å; V207-I209 HydrophobicContact CG1-CG1 4.2Å; I209-V237 WeakPolarHBondContact CA-O 3.45Å; I209-A239 HydrophobicContact CG2-CB 3.89Å; I209-L243 HydrophobicContact CD1-CD1 4.08Å; I209-L243 HydrophobicContact CD1-CD2 3.62Å; I209-L243 HydrophobicContact CG1-CD1 3.94Å; I209-L243 HydrophobicContact CG1-CD2 4.08Å; I209-L243 HydrophobicContact CG2-CD2 4.1Å
210Y97.5Very high96.1Very high18 Ų1843.5 Ų43.57%0.07124%0.242CC..EExtended strand (participates in β ladder)trans-133.1156.2179.162.3-82.8000113.6H208 E214 T216 V237 R238 A239H208-Y210 AromaticContact CD2-CD1 3.52Å; H208-Y210 AromaticContact NE2-CD1 3.44Å; H208-Y210 WeakPolarHBondContact NE2-CD1 3.02Å; H208-Y210 AromaticContact NE2-CG 3.87Å; Y210-E214 WeakPolarHBondContact CE2-O 3.42Å; Y210-T216 HydrophobicContact CD1-CG2 4.21Å; Y210-T216 HydrophobicContact CE1-CG2 3.77Å; Y210-T216 HydrophobicContact CE2-CG2 4.3Å; Y210-V237 WeakPolarHBondContact CD1-O 3.34Å; Y210-V237 VanDerWaalsContact CE1-C 3.46Å; Y210-V237 PolarHBondContact N-O 2.87Å; Y210-R238 HydrophobicContact CD2-CG 4.18Å; Y210-R238 HydrophobicContact CE1-CG 4.33Å; Y210-R238 HydrophobicContact CE2-CG 3.45Å; Y210-R238 VanDerWaalsContact CE2-CG 3.45Å; Y210-R238 WeakPolarHBondContact O-CA 3.34Å; Y210-A239 PolarHBondContact O-N 3.48Å
211P97.3Very high96.1Very high0 Ų041.9 Ų41.90%023%0.232CC..  trans-59.6158.8177.3-23.333.3000114.3E22 R25 L51 E214E22-P211 HydrophobicContact CG-CG 4.12Å; R25-P211 HydrophobicContact CG-CB 4.17Å; L51-P211 HydrophobicContact CD1-CG 4.49Å; L51-P211 HydrophobicContact CD2-CG 4.16Å; P211-E214 HydrophobicContact CB-CG 4.22Å; P211-E214 WeakPolarHBondContact CD-OE2 3.46Å; P211-E214 WeakPolarHBondContact CG-OE2 3.29Å
212Q93.9Very high96Very high46 Ų4644.5 Ų44.522%0.21525%0.253CS..THydrogen-bonded Turntrans-70.8140.8170.6-62.9-147.233.100111.6S24 R25 Q26S24-Q212 PolarHBondContact O-N 2.74Å; R25-Q212 HydrophobicContact CB-CB 4.36Å; R25-Q212 WeakPolarHBondContact CD-O 3.25Å; Q26-Q212 HydrophobicContact CB-CG 4.36Å; Q26-Q212 VanDerWaalsContact CD-NE2 3.34Å; Q26-Q212 VanDerWaalsContact OE1-NE2 3.11Å
213G90.8Very high95.8Very high81 Ų8149.3 Ų49.384%0.83527%0.274SS*.THydrogen-bonded Turntrans85.70.5-179.900000115.1
214E91.8Very high95.7Very high67 Ų6754.2 Ų54.231%0.31330%0.295SS..  trans-99.3153.3176.3-59.5-157.9140.400113.1R25 Y210 P211R25-E214 IonicContact CZ-OE1 2.68Å; R25-E214 IonicContact NH1-OE1 3.1Å; R25-E214 PolarHBondContact NH1-OE1 2.88Å; R25-E214 IonicContact NH2-OE1 3.98Å; R25-E214 PolarHBondContact NH2-OE1 3.27Å; R25-E214 IonicContact NH2-OE2 2.67Å; Y210-E214 WeakPolarHBondContact CE2-O 3.42Å; P211-E214 HydrophobicContact CB-CG 4.22Å; P211-E214 WeakPolarHBondContact CD-OE2 3.46Å; P211-E214 WeakPolarHBondContact CG-OE2 3.29Å
215E90.6Very high95.6Very high195 Ų19560.5 Ų60.591%0.91133%0.325SS*.  trans-90.9152.5165.2-62.8-172.2169.100109.5
216T93.3Very high95.5Very high46 Ų4662.2 Ų62.228%0.28233%0.333SS..  trans-126.8143-175.7173.90000111.4H208 Y210 V218 S236H208-T216 PolarHBondContact CD2-OG1 3.35Å; H208-T216 PolarHBondContact NE2-OG1 3.29Å; Y210-T216 HydrophobicContact CD1-CG2 4.21Å; Y210-T216 HydrophobicContact CE1-CG2 3.77Å; Y210-T216 HydrophobicContact CE2-CG2 4.3Å; T216-V218 VanDerWaalsContact C-N 3.27Å; T216-V218 PolarHBondContact OG1-N 3.39Å; T216-V218 VanDerWaalsContact OG1-N 3.08Å; T216-S236 WeakPolarHBondContact CG2-OG 3.46Å
217L93.5Very high95.4Very high135 Ų13562.8 Ų62.871%0.70734%0.338SS*.SBendtrans-90.210.9174.1-58178.5000112.6S168 D169S168-L217 CarbonylContact C-O 3.58Å; S168-L217 WeakPolarHBondContact CA-O 3.4Å; D169-L217 PolarHBondContact N-O 2.96Å
218V96.8Very high95.3Very high4 Ų468.3 Ų68.32%0.02437%0.374CS..  trans-112.4120.6176.6179.50000109.4A166 D169 V172 H208 T216 V234 S236A166-V218 HydrophobicContact CB-CG2 4.08Å; D169-V218 WeakPolarHBondContact OD1-CA 3.38Å; V172-V218 HydrophobicContact CG2-CG1 3.83Å; V172-V218 HydrophobicContact CG2-CG2 4.15Å; H208-V218 HydrophobicContact CB-CB 4.17Å; H208-V218 HydrophobicContact CB-CG1 3.73Å; H208-V218 HydrophobicContact CB-CG2 4.46Å; T216-V218 VanDerWaalsContact C-N 3.27Å; T216-V218 PolarHBondContact OG1-N 3.39Å; T216-V218 VanDerWaalsContact OG1-N 3.08Å; V218-V234 HydrophobicContact CG1-CG1 3.92Å; V218-S236 VanDerWaalsContact O-CB 3.27Å; V218-S236 WeakPolarHBondContact O-CB 3.46Å; V218-S236 PolarHBondContact O-OG 3.5Å
219S95.4Very high95.2Very high58 Ų5870.3 Ų70.341%0.40638%0.384SS..  trans-92.7146.6-178.958.30000112.5D169 R221D169-S219 PolarHBondContact OD1-N 3.24Å; D169-S219 PolarHBondContact OD1-OG 3.04Å; D169-S219 PolarHBondContact OD2-OG 3.16Å; S219-R221 PolarHBondContact O-N 2.77Å
220D96.1Very high95.2Very high103 Ų10370.3 Ų70.355%0.55138%0.384SS*.  trans-61.4133167-79.9-56.7000109.5H235 S236D220-H235 VanDerWaalsContact OD1-CA 3.28Å; D220-H235 WeakPolarHBondContact OD1-CA 3.13Å; D220-S236 PolarHBondContact OD1-N 2.91Å
221R96.3Very high95.3Very high50 Ų5070.8 Ų70.819%0.18939%0.389CS..EExtended strand (participates in β ladder)trans-136.1120.9178.4-161.2-175.166.5-154.7-1.7110.8E176 S219 S232 V234E176-R221 IonicContact OE1-CZ 2.85Å; E176-R221 IonicContact OE1-NH1 3.36Å; E176-R221 IonicContact OE1-NH2 3.3Å; E176-R221 PolarHBondContact OE1-NH2 2.97Å; E176-R221 IonicContact OE2-CZ 3.14Å; E176-R221 IonicContact OE2-NH1 2.7Å; E176-R221 PolarHBondContact OE2-NH1 2.83Å; E176-R221 IonicContact OE2-NH2 3.83Å; E176-R221 PolarHBondContact OE2-NH2 2.65Å; E176-R221 VanDerWaalsContact OE2-NH2 3.11Å; S219-R221 PolarHBondContact O-N 2.77Å; R221-S232 PolarHBondContact NH2-OG 2.61Å; R221-V234 HydrophobicContact CB-CB 3.98Å; R221-V234 HydrophobicContact CB-CG2 4.3Å; R221-V234 PolarHBondContact N-O 3.27Å; R221-V234 PolarHBondContact O-N 2.64Å
222P95.2Very high95.3Very high107 Ų10770.8 Ų70.870%0.69539%0.389SS*.EExtended strand (participates in β ladder)trans-64.5163.9178.330.4-36.6000111K224P222-K224 PolarHBondContact O-N 3.11Å; P222-K224 VanDerWaalsContact O-N 3.1Å
223K94.9Very high95.5Very high101 Ų10169.9 Ų69.944%0.43939%0.385SS..EExtended strand (participates in β ladder)trans-50.1114.3179.8-169.1165.5-175.3173.30112.3D203 T231 E233D203-K223 WeakPolarHBondContact OD1-CE 3.45Å; D203-K223 IonicContact OD1-NZ 3.11Å; D203-K223 PolarHBondContact OD1-NZ 3.23Å; D203-K223 IonicContact OD2-NZ 2.68Å; D203-K223 PolarHBondContact OD2-NZ 3.13Å; K223-T231 HydrophobicContact CD-CG2 4.09Å; K223-T231 VanDerWaalsContact CE-CG2 3.45Å; K223-T231 HydrophobicContact CG-CG2 3.44Å; K223-T231 VanDerWaalsContact CG-CG2 3.44Å; K223-E233 HydrophobicContact CB-CB 4.25Å
224K95.6Very high95.9Very high113 Ų11366.1 Ų66.149%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-122.6135.6-176.5-176.2-163.6165.8-160.60109.6P222 I226 T231 S232P222-K224 PolarHBondContact O-N 3.11Å; P222-K224 VanDerWaalsContact O-N 3.1Å; K224-I226 HydrophobicContact CD-CD1 3.87Å; K224-I226 HydrophobicContact CG-CD1 4.28Å; K224-I226 PolarHBondContact O-N 2.86Å; K224-T231 CarbonylContact O-C 3.48Å; K224-T231 WeakPolarHBondContact O-CA 3.07Å; K224-T231 VanDerWaalsContact O-CG2 3.23Å; K224-T231 WeakPolarHBondContact O-CG2 3.25Å; K224-S232 PolarHBondContact N-O 2.78Å; K224-S232 PolarHBondContact O-N 2.94Å
225E97.1Very high96.2Very high133 Ų13363.6 Ų63.662%0.62133%0.334SS*.EExtended strand (participates in β ladder)trans-70.3125.5169.1-165.7174.216700109.9
226I96.4Very high96.5Very high36 Ų3654.9 Ų54.919%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-103-42.2177.5-53.3-57.8000109.1E176 Q180 K224 L230E176-I226 WeakPolarHBondContact OE1-CD1 3.43Å; Q180-I226 VanDerWaalsContact OE1-CG2 3.31Å; K224-I226 HydrophobicContact CD-CD1 3.87Å; K224-I226 HydrophobicContact CG-CD1 4.28Å; K224-I226 PolarHBondContact O-N 2.86Å; I226-L230 HydrophobicContact CB-CD2 4.28Å; I226-L230 HydrophobicContact CB-CG 4.3Å; I226-L230 HydrophobicContact CG2-CD2 4.26Å; I226-L230 PolarHBondContact N-O 2.97Å
227S96.1Very high96.7Very high17 Ų1753.3 Ų53.312%0.11929%0.285CS..EExtended strand (participates in β ladder)trans-147.3170.1168.675.70000110.4L229 L230S227-L229 PolarHBondContact O-N 3.44Å; S227-L229 PolarHBondContact OG-N 2.75Å; S227-L230 PolarHBondContact N-O 2.77Å; S227-L230 CarbonylContact O-C 3.58Å; S227-L230 PolarHBondContact O-N 2.91Å; S227-L230 WeakPolarHBondContact OG-CB 3.2Å; S227-L230 PolarHBondContact OG-N 2.77Å
228P96.1Very high96.9Very high116 Ų11652.2 Ų52.275%0.75327%0.272SS*.THydrogen-bonded Turntrans-57.7-16.6176.7-2635.8000114.7
229L97Very high96.9Very high50 Ų5052 Ų5226%0.26227%0.27SS..THydrogen-bonded Turntrans-105.4-18.8177.9-58.2179.1000113.1I183 N187 Q201 C202 S227I183-L229 HydrophobicContact CG2-CB 4.19Å; I183-L229 HydrophobicContact CG2-CD1 3.95Å; N187-L229 WeakPolarHBondContact ND2-CD1 3.22Å; Q201-L229 CarbonylContact C-O 3.52Å; C202-L229 PolarHBondContact N-O 2.91Å; S227-L229 PolarHBondContact O-N 3.44Å; S227-L229 PolarHBondContact OG-N 2.75Å
230L98.3Very high96.9Very high0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-127.2117.1-171.9-177.863.4000111.3I179 Q180 I183 C202 L204 I226 S227I179-L230 HydrophobicContact CB-CD2 4.37Å; I179-L230 HydrophobicContact CG2-CD1 4.12Å; I179-L230 HydrophobicContact CG2-CD2 3.98Å; Q180-L230 HydrophobicContact CB-CD2 3.98Å; I183-L230 HydrophobicContact CD1-CB 4.34Å; I183-L230 HydrophobicContact CD1-CD1 4.01Å; C202-L230 HydrophobicContact CB-CD1 4.04Å; L204-L230 HydrophobicContact CB-CD1 3.84Å; I226-L230 HydrophobicContact CB-CD2 4.28Å; I226-L230 HydrophobicContact CB-CG 4.3Å; I226-L230 HydrophobicContact CG2-CD2 4.26Å; I226-L230 PolarHBondContact N-O 2.97Å; S227-L230 PolarHBondContact N-O 2.77Å; S227-L230 CarbonylContact O-C 3.58Å; S227-L230 PolarHBondContact O-N 2.91Å; S227-L230 WeakPolarHBondContact OG-CB 3.2Å; S227-L230 PolarHBondContact OG-N 2.77Å
231T98.4Very high96.8Very high28 Ų2852.6 Ų52.617%0.17226%0.26CS..EExtended strand (participates in β ladder)trans-110.8137.7166.6-38.40000109C202 D203 L204 K223 K224C202-T231 PolarHBondContact O-N 2.84Å; D203-T231 CarbonylContact C-O 3.53Å; D203-T231 WeakPolarHBondContact CA-O 3.37Å; L204-T231 PolarHBondContact N-O 2.82Å; K223-T231 HydrophobicContact CD-CG2 4.09Å; K223-T231 VanDerWaalsContact CE-CG2 3.45Å; K223-T231 HydrophobicContact CG-CG2 3.44Å; K223-T231 VanDerWaalsContact CG-CG2 3.44Å; K224-T231 CarbonylContact O-C 3.48Å; K224-T231 WeakPolarHBondContact O-CA 3.07Å; K224-T231 VanDerWaalsContact O-CG2 3.23Å; K224-T231 WeakPolarHBondContact O-CG2 3.25Å
232S98.3Very high96.7Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-131.7136.6-171.5177.10000112.4E176 L204 R221 K224E176-S232 WeakPolarHBondContact OE1-CB 3.37Å; E176-S232 PolarHBondContact OE1-OG 3.2Å; L204-S232 CarbonylContact O-C 3.49Å; L204-S232 WeakPolarHBondContact O-CA 3.31Å; R221-S232 PolarHBondContact NH2-OG 2.61Å; K224-S232 PolarHBondContact N-O 2.78Å; K224-S232 PolarHBondContact O-N 2.94Å
233E98.1Very high96.9Very high27 Ų2747.9 Ų47.913%0.12623%0.231CC..EExtended strand (participates in β ladder)trans-127148.5168.852.2177-136.400111L204 V205 L206 K223 H235L204-E233 PolarHBondContact O-N 2.84Å; V205-E233 HydrophobicContact CB-CG 4.33Å; V205-E233 HydrophobicContact CG1-CG 4.24Å; V205-E233 HydrophobicContact CG2-CG 3.96Å; L206-E233 PolarHBondContact N-O 3.16Å; K223-E233 HydrophobicContact CB-CB 4.25Å; E233-H235 VanDerWaalsContact CD-NE2 3.27Å; E233-H235 IonicContact OE1-CD2 2.85Å; E233-H235 IonicContact OE1-CE1 3.11Å; E233-H235 PolarHBondContact OE1-CE1 2.82Å; E233-H235 IonicContact OE1-NE2 3.66Å; E233-H235 PolarHBondContact OE1-NE2 3.17Å
234V98.4Very high96.9Very high2 Ų245.2 Ų45.21%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-125129.2-176.6-175.90000108.5V172 L206 V218 R221V172-V234 HydrophobicContact CG1-CG1 4.24Å; V172-V234 HydrophobicContact CG1-CG2 3.65Å; L206-V234 HydrophobicContact CB-CG2 4.29Å; L206-V234 CarbonylContact O-C 3.52Å; L206-V234 VanDerWaalsContact O-CA 3.31Å; L206-V234 WeakPolarHBondContact O-CA 3.39Å; V218-V234 HydrophobicContact CG1-CG1 3.92Å; R221-V234 HydrophobicContact CB-CB 3.98Å; R221-V234 HydrophobicContact CB-CG2 4.3Å; R221-V234 PolarHBondContact N-O 3.27Å; R221-V234 PolarHBondContact O-N 2.64Å
235H98.2Very high96.9Very high14 Ų1443.1 Ų43.17%0.06523%0.227CC..EExtended strand (participates in β ladder)trans-122.5122.5179.4-54.2-70.6000109.6L206 V207 H208 D220 E233 V237 K246L206-H235 PolarHBondContact O-N 3.24Å; V207-H235 CarbonylContact C-O 3.57Å; V207-H235 WeakPolarHBondContact CA-O 3.46Å; H208-H235 PolarHBondContact N-O 3.34Å; D220-H235 VanDerWaalsContact OD1-CA 3.28Å; D220-H235 WeakPolarHBondContact OD1-CA 3.13Å; E233-H235 VanDerWaalsContact CD-NE2 3.27Å; E233-H235 IonicContact OE1-CD2 2.85Å; E233-H235 IonicContact OE1-CE1 3.11Å; E233-H235 PolarHBondContact OE1-CE1 2.82Å; E233-H235 IonicContact OE1-NE2 3.66Å; E233-H235 PolarHBondContact OE1-NE2 3.17Å; H235-V237 HydrophobicContact CB-CG2 3.96Å; H235-K246 WeakPolarHBondContact ND1-CE 3.48Å; H235-K246 PolarHBondContact ND1-NZ 3.1Å
236S97.7Very high96.9Very high13 Ų1339.3 Ų39.39%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-102.9100-177.4-167.80000109.8H208 T216 V218 D220H208-S236 PolarHBondContact CD2-OG 3.39Å; T216-S236 WeakPolarHBondContact CG2-OG 3.46Å; V218-S236 VanDerWaalsContact O-CB 3.27Å; V218-S236 WeakPolarHBondContact O-CB 3.46Å; V218-S236 PolarHBondContact O-OG 3.5Å; D220-S236 PolarHBondContact OD1-N 2.91Å
237V97.2Very high96.9Very high13 Ų1337.7 Ų37.78%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-129.1131.3-162.6-163.20000112.9V207 H208 I209 Y210 H235 H242 L243 K246V207-V237 HydrophobicContact CG1-CB 4.46Å; V207-V237 HydrophobicContact CG1-CG2 4.08Å; H208-V237 PolarHBondContact O-N 3.07Å; I209-V237 WeakPolarHBondContact CA-O 3.45Å; Y210-V237 WeakPolarHBondContact CD1-O 3.34Å; Y210-V237 VanDerWaalsContact CE1-C 3.46Å; Y210-V237 PolarHBondContact N-O 2.87Å; H235-V237 HydrophobicContact CB-CG2 3.96Å; V237-H242 HydrophobicContact CG1-CB 4.04Å; V237-L243 HydrophobicContact CG1-CB 4.42Å; V237-K246 HydrophobicContact CG1-CB 4.17Å; V237-K246 HydrophobicContact CG2-CB 4.25Å; V237-K246 HydrophobicContact CG2-CD 4.42Å; V237-K246 HydrophobicContact CG2-CG 4Å
238R97.4Very high96.9Very high112 Ų11238 Ų3842%0.42320%0.2SC..EExtended strand (participates in β ladder)trans-62.5139171-66.4178.3-172.290.67.1110.9Y210 H242 L243Y210-R238 HydrophobicContact CD2-CG 4.18Å; Y210-R238 HydrophobicContact CE1-CG 4.33Å; Y210-R238 HydrophobicContact CE2-CG 3.45Å; Y210-R238 VanDerWaalsContact CE2-CG 3.45Å; Y210-R238 WeakPolarHBondContact O-CA 3.34Å; R238-H242 HydrophobicContact CB-CB 4.23Å; R238-H242 WeakPolarHBondContact O-CB 3.48Å; R238-L243 PolarHBondContact O-N 2.78Å
239A96.8Very high96.9Very high0 Ų033.9 Ų33.90%017%0.172CC..THydrogen-bonded Turntrans-57.8165176.700000113.6L51 C54 I209 Y210L51-A239 HydrophobicContact CD2-CB 3.65Å; C54-A239 HydrophobicContact CB-CB 4.36Å; I209-A239 HydrophobicContact CG2-CB 3.89Å; Y210-A239 PolarHBondContact O-N 3.48Å
240G94.9Very high96.9Very high13 Ų1331.5 Ų31.513%0.13416%0.159CC..THydrogen-bonded Turntrans69.5-126.1179.900000112.9C54 H242 L243 A244C54-G240 PolarHBondContact SG-N 3.02Å; C54-G240 VanDerWaalsContact SG-N 3.4Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 3.35Å; G240-H242 VanDerWaalsContact O-N 3.13Å; G240-L243 WeakPolarHBondContact O-CB 3.45Å; G240-L243 PolarHBondContact O-N 2.81Å; G240-L243 VanDerWaalsContact O-N 3.13Å; G240-A244 PolarHBondContact O-N 3.28Å
241R93.7Very high96.8Very high160 Ų16031.5 Ų31.560%0.60416%0.159SC*.Hα-helixtrans-58.6-31.7-16870.7179.2-174.9-164.9-3114.8S245R241-S245 WeakPolarHBondContact O-CB 3.33Å; R241-S245 PolarHBondContact O-N 3.37Å; R241-S245 VanDerWaalsContact O-N 3.08Å
242H95.8Very high96.7Very high58 Ų5831.2 Ų31.227%0.26916%0.156SC..Hα-helixtrans-77.2-37.6-178.1-4495.9000110.8V237 R238 G240 S245 K246V237-H242 HydrophobicContact CG1-CB 4.04Å; R238-H242 HydrophobicContact CB-CB 4.23Å; R238-H242 WeakPolarHBondContact O-CB 3.48Å; G240-H242 VanDerWaalsContact C-N 3.26Å; G240-H242 PolarHBondContact O-N 3.35Å; G240-H242 VanDerWaalsContact O-N 3.13Å; H242-S245 PolarHBondContact O-N 3.34Å; H242-K246 PolarHBondContact O-N 3.31Å
243L97.5Very high96.6Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-61.7-45.4171-175.464.6000111.8C54 C58 V207 I209 V237 R238 G240 S245 K246 L247C54-L243 HydrophobicContact CB-CD2 4.24Å; C58-L243 HydrophobicContact CB-CD2 4.24Å; C58-L243 HydrophobicContact CB-CG 4.05Å; V207-L243 HydrophobicContact CG1-CD1 3.65Å; I209-L243 HydrophobicContact CD1-CD1 4.08Å; I209-L243 HydrophobicContact CD1-CD2 3.62Å; I209-L243 HydrophobicContact CG1-CD1 3.94Å; I209-L243 HydrophobicContact CG1-CD2 4.08Å; I209-L243 HydrophobicContact CG2-CD2 4.1Å; V237-L243 HydrophobicContact CG1-CB 4.42Å; R238-L243 PolarHBondContact O-N 2.78Å; G240-L243 WeakPolarHBondContact O-CB 3.45Å; G240-L243 PolarHBondContact O-N 2.81Å; G240-L243 VanDerWaalsContact O-N 3.13Å; L243-S245 PolarHBondContact O-N 2.76Å; L243-K246 PolarHBondContact O-N 3.17Å; L243-L247 HydrophobicContact CD1-CD1 3.66Å; L243-L247 HydrophobicContact CG-CD1 4.23Å; L243-L247 PolarHBondContact O-N 3.24Å
244A95.6Very high96.5Very high45 Ų4536.3 Ų36.337%0.37218%0.18SC..Hα-helixtrans-58.8-46.9175.900000111.6C58 G240 K246 L247 N248C58-A244 WeakPolarHBondContact SG-CA 3.34Å; C58-A244 PolarHBondContact SG-N 3.46Å; C58-A244 VanDerWaalsContact SG-N 3.38Å; G240-A244 PolarHBondContact O-N 3.28Å; A244-K246 VanDerWaalsContact C-N 3.35Å; A244-K246 PolarHBondContact O-N 2.74Å; A244-L247 PolarHBondContact O-N 3.41Å; A244-N248 WeakPolarHBondContact O-CB 3.37Å; A244-N248 PolarHBondContact O-N 2.61Å
245S95.1Very high96.4Very high69 Ų6936.3 Ų36.348%0.48318%0.18SC..Hα-helixtrans-60.3-42175.1-1780000112.3R241 H242 L243 N248 I249R241-S245 WeakPolarHBondContact O-CB 3.33Å; R241-S245 PolarHBondContact O-N 3.37Å; R241-S245 VanDerWaalsContact O-N 3.08Å; H242-S245 PolarHBondContact O-N 3.34Å; L243-S245 PolarHBondContact O-N 2.76Å; S245-N248 PolarHBondContact O-N 3.21Å; S245-I249 WeakPolarHBondContact O-CG1 3.27Å; S245-I249 PolarHBondContact O-N 2.77Å
246K97.1Very high96.2Very high53 Ų5339 Ų3923%0.2319%0.194CC..Hα-helixtrans-64.6-48.2177.5-171.474.3178.5-155.30111.9H235 V237 H242 L243 A244 N248 I249 L250H235-K246 WeakPolarHBondContact ND1-CE 3.48Å; H235-K246 PolarHBondContact ND1-NZ 3.1Å; V237-K246 HydrophobicContact CG1-CB 4.17Å; V237-K246 HydrophobicContact CG2-CB 4.25Å; V237-K246 HydrophobicContact CG2-CD 4.42Å; V237-K246 HydrophobicContact CG2-CG 4Å; H242-K246 PolarHBondContact O-N 3.31Å; L243-K246 PolarHBondContact O-N 3.17Å; A244-K246 VanDerWaalsContact C-N 3.35Å; A244-K246 PolarHBondContact O-N 2.74Å; K246-N248 VanDerWaalsContact C-N 3.28Å; K246-N248 PolarHBondContact O-N 3.49Å; K246-I249 WeakPolarHBondContact O-CB 3.49Å; K246-I249 PolarHBondContact O-N 3.46Å; K246-I249 VanDerWaalsContact O-N 3.09Å; K246-L250 HydrophobicContact CG-CD1 4.13Å; K246-L250 HydrophobicContact CG-CG 4.39Å; K246-L250 WeakPolarHBondContact O-CG 3.27Å; K246-L250 PolarHBondContact O-N 2.96Å
247L97.8Very high96.1Very high2 Ų239.1 Ų39.11%0.0119%0.194CC..Hα-helixtrans-66.2-31.6179.1-91.868.8000111.8F12 C58 Y62 L163 L243 A244 L250 V251F12-L247 HydrophobicContact CE1-CD2 4.4Å; C58-L247 HydrophobicContact CB-CB 4.47Å; C58-L247 HydrophobicContact CB-CD2 3.85Å; C58-L247 WeakPolarHBondContact O-CD2 3.44Å; Y62-L247 HydrophobicContact CD2-CB 4.36Å; Y62-L247 HydrophobicContact CD2-CG 4.48Å; Y62-L247 WeakPolarHBondContact CD2-O 3.43Å; L163-L247 HydrophobicContact CD1-CD2 4.34Å; L243-L247 HydrophobicContact CD1-CD1 3.66Å; L243-L247 HydrophobicContact CG-CD1 4.23Å; L243-L247 PolarHBondContact O-N 3.24Å; A244-L247 PolarHBondContact O-N 3.41Å; L247-L250 HydrophobicContact CD1-CD1 4.37Å; L247-L250 PolarHBondContact O-N 2.89Å; L247-V251 PolarHBondContact O-N 3.44Å
248N95.7Very high95.9Very high22 Ų2239.2 Ų39.212%0.11820%0.196CC..Hα-helixtrans-64.2-37.2170.3-170.7-97.3000112.5A244 S245 K246 V251 Q252 K312A244-N248 WeakPolarHBondContact O-CB 3.37Å; A244-N248 PolarHBondContact O-N 2.61Å; S245-N248 PolarHBondContact O-N 3.21Å; K246-N248 VanDerWaalsContact C-N 3.28Å; K246-N248 PolarHBondContact O-N 3.49Å; N248-V251 WeakPolarHBondContact O-CG1 3.45Å; N248-Q252 WeakPolarHBondContact O-CG 3.46Å; N248-Q252 PolarHBondContact O-NE2 3.08Å; N248-Q252 PolarHBondContact OD1-NE2 3.04Å; N248-K312 PolarHBondContact OD1-NZ 2.99Å
249I95.4Very high95.8Very high31 Ų3134.1 Ų34.116%0.15918%0.178CC..Hα-helixtrans-69.7-44.3172.7-67.6160.6000110.6S245 K246 V251 Q252 Q253 V311S245-I249 WeakPolarHBondContact O-CG1 3.27Å; S245-I249 PolarHBondContact O-N 2.77Å; K246-I249 WeakPolarHBondContact O-CB 3.49Å; K246-I249 PolarHBondContact O-N 3.46Å; K246-I249 VanDerWaalsContact O-N 3.09Å; I249-V251 PolarHBondContact O-N 3.26Å; I249-Q252 PolarHBondContact O-N 3.14Å; I249-Q253 HydrophobicContact CG2-CG 4.43Å; I249-Q253 WeakPolarHBondContact O-CG 2.91Å; I249-Q253 PolarHBondContact O-N 2.8Å; I249-Q253 VanDerWaalsContact O-N 3.08Å; I249-V311 HydrophobicContact CD1-CG1 3.82Å
250L97Very high95.7Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-61.2-45.2179.5-70173.2000111.5Y62 V205 V207 K246 L247 Q252 Q253 H254Y62-L250 HydrophobicContact CE2-CB 4.33Å; V205-L250 HydrophobicContact CG1-CD1 4.05Å; V205-L250 HydrophobicContact CG1-CD2 4.41Å; V207-L250 HydrophobicContact CG2-CD1 4.38Å; K246-L250 HydrophobicContact CG-CD1 4.13Å; K246-L250 HydrophobicContact CG-CG 4.39Å; K246-L250 WeakPolarHBondContact O-CG 3.27Å; K246-L250 PolarHBondContact O-N 2.96Å; L247-L250 HydrophobicContact CD1-CD1 4.37Å; L247-L250 PolarHBondContact O-N 2.89Å; L250-Q252 PolarHBondContact O-N 3.31Å; L250-Q253 PolarHBondContact O-N 3.47Å; L250-Q253 VanDerWaalsContact O-N 3.17Å; L250-H254 WeakPolarHBondContact O-CB 3.49Å; L250-H254 PolarHBondContact O-CD2 3.03Å; L250-H254 VanDerWaalsContact O-CD2 3.28Å; L250-H254 PolarHBondContact O-N 2.99Å
251V97.6Very high95.7Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-59.6-35.5178.172.90000112Y62 I65 L247 N248 I249 F255 L257 L284Y62-V251 HydrophobicContact CD1-CG2 4.22Å; Y62-V251 HydrophobicContact CD2-CB 3.55Å; Y62-V251 HydrophobicContact CD2-CG2 4.11Å; Y62-V251 HydrophobicContact CE1-CG2 4.13Å; Y62-V251 VanDerWaalsContact CE2-CA 3.47Å; Y62-V251 HydrophobicContact CE2-CB 3.53Å; Y62-V251 HydrophobicContact CE2-CG2 4.01Å; Y62-V251 HydrophobicContact CG-CB 4.05Å; Y62-V251 HydrophobicContact CG-CG2 4.18Å; I65-V251 HydrophobicContact CB-CG1 4.49Å; I65-V251 HydrophobicContact CB-CG2 4.45Å; I65-V251 HydrophobicContact CD1-CG1 4.15Å; I65-V251 HydrophobicContact CG2-CG1 3.98Å; I65-V251 HydrophobicContact CG2-CG2 4.08Å; L247-V251 PolarHBondContact O-N 3.44Å; N248-V251 WeakPolarHBondContact O-CG1 3.45Å; I249-V251 PolarHBondContact O-N 3.26Å; V251-F255 HydrophobicContact CG2-CD2 3.83Å; V251-F255 HydrophobicContact CG2-CE2 4.19Å; V251-F255 WeakPolarHBondContact O-CD2 3.28Å; V251-F255 PolarHBondContact O-N 2.75Å; V251-L257 HydrophobicContact CG1-CD1 4.46Å; V251-L257 HydrophobicContact CG2-CD1 4.29Å; V251-L284 HydrophobicContact CG1-CD1 4.5Å
252Q96.1Very high95.7Very high21 Ų2126.3 Ų26.310%0.09815%0.145CC..Hα-helixtrans-66.6-47.9175.8-68.3166.487.500112N248 I249 L250 H254 D256 L257 L284 K312N248-Q252 WeakPolarHBondContact O-CG 3.46Å; N248-Q252 PolarHBondContact O-NE2 3.08Å; N248-Q252 PolarHBondContact OD1-NE2 3.04Å; I249-Q252 PolarHBondContact O-N 3.14Å; L250-Q252 PolarHBondContact O-N 3.31Å; Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 2.86Å; Q252-D256 PolarHBondContact O-N 2.92Å; Q252-D256 VanDerWaalsContact O-N 3.1Å; Q252-L257 HydrophobicContact CB-CB 4.16Å; Q252-L257 HydrophobicContact CG-CB 4.05Å; Q252-L257 HydrophobicContact CG-CD1 4.47Å; Q252-L257 PolarHBondContact O-N 3.14Å; Q252-L284 HydrophobicContact CG-CD1 4.13Å; Q252-L284 HydrophobicContact CG-CD2 3.9Å; Q252-K312 VanDerWaalsContact OE1-CE 3.31Å
253Q94.9Very high95.6Very high123 Ų12324.4 Ų24.458%0.57514%0.138SC*.Hα-helixtrans-66.3-35.9177.5-67.3174.3-16.200112.6I249 L250 F255I249-Q253 HydrophobicContact CG2-CG 4.43Å; I249-Q253 WeakPolarHBondContact O-CG 2.91Å; I249-Q253 PolarHBondContact O-N 2.8Å; I249-Q253 VanDerWaalsContact O-N 3.08Å; L250-Q253 PolarHBondContact O-N 3.47Å; L250-Q253 VanDerWaalsContact O-N 3.17Å; Q253-F255 VanDerWaalsContact C-N 3.35Å; Q253-F255 PolarHBondContact O-N 3.1Å
254H96.6Very high95.2Very high11 Ų1127.2 Ų27.25%0.05115%0.153CC..Hα-helixtrans-73.2-25.4-174.6-76.2-176.6000113.9Y62 R159 L250 Q252Y62-H254 AromaticContact CE2-ND1 3.76Å; Y62-H254 AromaticContact CZ-ND1 3.68Å; Y62-H254 WeakPolarHBondContact OH-CB 3.29Å; Y62-H254 PolarHBondContact OH-ND1 3.44Å; R159-H254 WeakPolarHBondContact CD-CE1 3.38Å; R159-H254 WeakPolarHBondContact CD-ND1 3.45Å; R159-H254 VanDerWaalsContact CZ-CD2 3.45Å; R159-H254 VanDerWaalsContact CZ-CG 3.45Å; R159-H254 VanDerWaalsContact NH1-CG 3.29Å; R159-H254 PolarHBondContact NH1-O 3.18Å; L250-H254 WeakPolarHBondContact O-CB 3.49Å; L250-H254 PolarHBondContact O-CD2 3.03Å; L250-H254 VanDerWaalsContact O-CD2 3.28Å; L250-H254 PolarHBondContact O-N 2.99Å; Q252-H254 VanDerWaalsContact C-N 3.34Å; Q252-H254 PolarHBondContact O-N 2.86Å
255F95.9Very high94.9Very high3 Ų325.3 Ų25.31%0.01314%0.136CC..THydrogen-bonded Turntrans-130.420.9-175-62.3-77.9000114A7 Y62 L66 Y70 K74 V251 Q253 L257A7-F255 HydrophobicContact CB-CD1 3.8Å; A7-F255 HydrophobicContact CB-CE1 3.85Å; A7-F255 WeakPolarHBondContact O-CE1 3.33Å; Y62-F255 AromaticContact CE1-CE2 3.78Å; Y62-F255 HydrophobicContact CE1-CE2 3.78Å; Y62-F255 AromaticContact CZ-CE2 3.77Å; Y62-F255 WeakPolarHBondContact OH-CE2 3.13Å; L66-F255 HydrophobicContact CD1-CD1 3.73Å; L66-F255 HydrophobicContact CD1-CD2 3.86Å; L66-F255 HydrophobicContact CD1-CE1 3.47Å; L66-F255 VanDerWaalsContact CD1-CE1 3.47Å; L66-F255 HydrophobicContact CD1-CE2 3.57Å; L66-F255 HydrophobicContact CD1-CG 3.94Å; L66-F255 HydrophobicContact CD1-CZ 3.39Å; L66-F255 HydrophobicContact CD2-CE1 4.23Å; L66-F255 HydrophobicContact CD2-CE2 3.8Å; L66-F255 HydrophobicContact CD2-CZ 3.47Å; L66-F255 VanDerWaalsContact CD2-CZ 3.47Å; L66-F255 HydrophobicContact CG-CE1 4.5Å; L66-F255 HydrophobicContact CG-CE2 4.16Å; L66-F255 HydrophobicContact CG-CZ 4.04Å; Y70-F255 HydrophobicContact CE2-CB 3.8Å; Y70-F255 HydrophobicContact CE2-CD1 4.46Å; Y70-F255 HydrophobicContact CE2-CG 4.38Å; Y70-F255 PolarHBondContact OH-O 3.1Å; K74-F255 HydrophobicContact CB-CE1 4.14Å; K74-F255 HydrophobicContact CD-CD1 4.16Å; K74-F255 HydrophobicContact CD-CE1 4.08Å; K74-F255 HydrophobicContact CG-CD1 4.32Å; K74-F255 HydrophobicContact CG-CE1 4.21Å; V251-F255 HydrophobicContact CG2-CD2 3.83Å; V251-F255 HydrophobicContact CG2-CE2 4.19Å; V251-F255 WeakPolarHBondContact O-CD2 3.28Å; V251-F255 PolarHBondContact O-N 2.75Å; Q253-F255 VanDerWaalsContact C-N 3.35Å; Q253-F255 PolarHBondContact O-N 3.1Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 HydrophobicContact CB-CD2 4.33Å; F255-L257 HydrophobicContact CB-CG 4.19Å; F255-L257 PolarHBondContact O-N 3.36Å
256D93.9Very high94.3Very high69 Ų6925.4 Ų25.437%0.36914%0.135SC..THydrogen-bonded Turntrans54.440.2177.9-81.4-66.1000112.9M1 Q252 R287M1-D256 HydrophobicContact CE-CB 4.04Å; Q252-D256 PolarHBondContact O-N 2.92Å; Q252-D256 VanDerWaalsContact O-N 3.1Å; D256-R287 HydrophobicContact CB-CG 4.14Å; D256-R287 WeakPolarHBondContact O-CB 3.36Å; D256-R287 VanDerWaalsContact O-CG 3.23Å; D256-R287 WeakPolarHBondContact O-CG 3.47Å; D256-R287 PolarHBondContact O-N 3.28Å; D256-R287 WeakPolarHBondContact OD1-CD 3.42Å; D256-R287 IonicContact OD1-CZ 3.91Å; D256-R287 IonicContact OD1-NH1 3.86Å; D256-R287 PolarHBondContact OD1-NH1 2.79Å
257L95.4Very high93.2Very high16 Ų1623.5 Ų23.58%0.08413%0.127CC..EExtended strand (participates in β ladder)trans-84.4149.5177-47.8176.6000111.5I65 V69 Y70 V251 Q252 F255 L284 H285I65-L257 HydrophobicContact CG2-CD1 3.96Å; V69-L257 HydrophobicContact CB-CD2 4.44Å; V69-L257 HydrophobicContact CG1-CD2 3.86Å; V69-L257 HydrophobicContact CG2-CD2 4.43Å; Y70-L257 HydrophobicContact CE2-CD2 3.83Å; V251-L257 HydrophobicContact CG1-CD1 4.46Å; V251-L257 HydrophobicContact CG2-CD1 4.29Å; Q252-L257 HydrophobicContact CB-CB 4.16Å; Q252-L257 HydrophobicContact CG-CB 4.05Å; Q252-L257 HydrophobicContact CG-CD1 4.47Å; Q252-L257 PolarHBondContact O-N 3.14Å; F255-L257 VanDerWaalsContact C-N 3.26Å; F255-L257 HydrophobicContact CB-CD2 4.33Å; F255-L257 HydrophobicContact CB-CG 4.19Å; F255-L257 PolarHBondContact O-N 3.36Å; L257-L284 HydrophobicContact CD1-CB 4.39Å; L257-H285 CarbonylContact C-O 3.54Å; L257-H285 WeakPolarHBondContact CA-O 3.47Å; L257-H285 WeakPolarHBondContact CB-O 3.22Å
258A94.6Very high91.8Very high16 Ų1632.1 Ų32.113%0.13216%0.164CC..EExtended strand (participates in β ladder)trans-113.9162.9164.700000110.3L284 H285 R287A258-L284 WeakPolarHBondContact O-CA 3.42Å; A258-H285 PolarHBondContact N-O 3.08Å; A258-H285 PolarHBondContact O-N 3.35Å; A258-H285 VanDerWaalsContact O-N 3.12Å; A258-R287 HydrophobicContact CB-CB 4.19Å
259S94.4Very high90.3Very high4 Ų433.4 Ų33.43%0.02817%0.17CC..EExtended strand (participates in β ladder)trans-107.1136.1173.9171.50000111.1E282 L283 T314 M315S259-E282 WeakPolarHBondContact OG-CG 3.42Å; S259-E282 PolarHBondContact OG-OE1 3.45Å; S259-L283 WeakPolarHBondContact CA-O 3.33Å; S259-T314 WeakPolarHBondContact O-CA 3.33Å; S259-T314 PolarHBondContact O-OG1 2.99Å; S259-T314 VanDerWaalsContact OG-CB 3.32Å; S259-T314 WeakPolarHBondContact OG-CB 3.26Å; S259-T314 PolarHBondContact OG-OG1 3.01Å; S259-M315 PolarHBondContact O-N 2.66Å
260T94.9Very high88.5Confident1 Ų139.5 Ų39.51%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-119.4123.1166.7-68.90000109.7I262 L283 H285 H290 M315 L317T260-I262 HydrophobicContact CG2-CG1 4.02Å; T260-L283 PolarHBondContact N-O 3.5Å; T260-L283 PolarHBondContact O-N 3.32Å; T260-H285 PolarHBondContact OG1-NE2 3.26Å; T260-H290 PolarHBondContact OG1-NE2 3.2Å; T260-M315 CarbonylContact C-O 3.53Å; T260-M315 WeakPolarHBondContact CA-O 3.43Å; T260-L317 HydrophobicContact CG2-CB 4.27Å; T260-L317 HydrophobicContact CG2-CD1 3.84Å; T260-L317 HydrophobicContact CG2-CG 4.06Å
261T94.9Very high86.4Confident9 Ų948 Ų486%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-95.6116.3169.6-61.90000109.7T263 D280 T314 M315 T316 L317T261-T263 HydrophobicContact CG2-CG2 4.2Å; T261-D280 HydrophobicContact CG2-CB 3.97Å; T261-T314 PolarHBondContact N-OG1 2.85Å; T261-T314 WeakPolarHBondContact OG1-CG2 3.42Å; T261-T314 PolarHBondContact OG1-OG1 3.29Å; T261-M315 PolarHBondContact N-O 2.72Å; T261-T316 WeakPolarHBondContact O-CA 3.46Å; T261-L317 PolarHBondContact O-N 2.91Å
262I94.4Very high84.4Confident0 Ų053.7 Ų53.70%026%0.264CS..EExtended strand (participates in β ladder)trans-93.3120.6176.6-61175.2000108.9T260 I265 D280 V281 L283 L317 L351 L363 L378T260-I262 HydrophobicContact CG2-CG1 4.02Å; I262-I265 HydrophobicContact CB-CD1 4.34Å; I262-I265 HydrophobicContact CG2-CD1 4.01Å; I262-I265 HydrophobicContact CG2-CG1 3.91Å; I262-D280 CarbonylContact O-C 3.49Å; I262-D280 VanDerWaalsContact O-CA 3.22Å; I262-D280 WeakPolarHBondContact O-CA 3.36Å; I262-V281 PolarHBondContact N-O 3.15Å; I262-V281 PolarHBondContact O-N 2.97Å; I262-L283 HydrophobicContact CD1-CD1 3.61Å; I262-L283 HydrophobicContact CD1-CG 4.31Å; I262-L317 CarbonylContact C-O 3.33Å; I262-L317 WeakPolarHBondContact CA-O 3.33Å; I262-L351 HydrophobicContact CD1-CD2 4.19Å; I262-L363 HydrophobicContact CD1-CD1 4Å; I262-L363 HydrophobicContact CD1-CD2 4.12Å; I262-L363 HydrophobicContact CG1-CD1 4.35Å; I262-L363 HydrophobicContact CG1-CD2 4.21Å; I262-L363 HydrophobicContact CG2-CD2 3.88Å; I262-L378 HydrophobicContact CD1-CD1 3.31Å; I262-L378 HydrophobicContact CD1-CG 4.27Å
263T92.3Very high82.3Confident18 Ų1856.7 Ų56.711%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-108.2164.6-173.859.80000112.3T261 I265 D280 T316 L317 K318 W319T261-T263 HydrophobicContact CG2-CG2 4.2Å; T263-I265 VanDerWaalsContact C-N 3.28Å; T263-I265 PolarHBondContact O-N 2.71Å; T263-D280 WeakPolarHBondContact CA-OD1 3.27Å; T263-D280 WeakPolarHBondContact CB-OD1 3.45Å; T263-D280 WeakPolarHBondContact CG2-OD1 3.34Å; T263-T316 HydrophobicContact CG2-CG2 3.53Å; T263-L317 PolarHBondContact N-O 3.26Å; T263-L317 PolarHBondContact OG1-O 2.74Å; T263-K318 WeakPolarHBondContact OG1-CA 3.36Å; T263-W319 WeakPolarHBondContact O-CB 3.49Å; T263-W319 PolarHBondContact O-N 3.16Å
264N89.3Confident80.3Confident59 Ų5958.8 Ų58.832%0.31631%0.307SS..EExtended strand (participates in β ladder)trans57.935.1178.3-67.332.6000113.9P266 K318N264-P266 VanDerWaalsContact O-CD 3.28Å; N264-P266 WeakPolarHBondContact O-CD 3.37Å; N264-K318 HydrophobicContact CB-CG 4.25Å; N264-K318 WeakPolarHBondContact ND2-CE 3.43Å
265I89.3Confident78Confident5 Ų561.7 Ų61.73%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-69116.6175.3-57.4172.4000108.3I262 T263 M267 Y279 V281 W319 L351I262-I265 HydrophobicContact CB-CD1 4.34Å; I262-I265 HydrophobicContact CG2-CD1 4.01Å; I262-I265 HydrophobicContact CG2-CG1 3.91Å; T263-I265 VanDerWaalsContact C-N 3.28Å; T263-I265 PolarHBondContact O-N 2.71Å; I265-M267 HydrophobicContact CG2-CG 4.19Å; I265-M267 HydrophobicContact CG2-SD 4.43Å; I265-M267 PolarHBondContact O-N 3.17Å; I265-Y279 WeakPolarHBondContact CB-O 3.49Å; I265-Y279 WeakPolarHBondContact CG1-O 3.47Å; I265-Y279 PolarHBondContact N-O 2.92Å; I265-Y279 PolarHBondContact O-N 3.04Å; I265-V281 HydrophobicContact CD1-CB 3.73Å; I265-V281 HydrophobicContact CD1-CG2 3.5Å; I265-W319 HydrophobicContact CB-CE3 4.42Å; I265-W319 HydrophobicContact CG1-CE3 4.12Å; I265-W319 HydrophobicContact CG2-CE3 4.05Å; I265-W319 HydrophobicContact CG2-CZ3 4.13Å; I265-L351 HydrophobicContact CD1-CD2 4.25Å
266P82.9Confident76Confident70 Ų7066 Ų6646%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-79.6113.4-174.130.8-32.7000110.6N264 W319N264-P266 VanDerWaalsContact O-CD 3.28Å; N264-P266 WeakPolarHBondContact O-CD 3.37Å; P266-W319 HydrophobicContact CG-CZ2 4.42Å
267M74.1Confident74.5Confident14 Ų1464 Ų647%0.06935%0.349CS..  trans-120.8149.2-179-66.5179.354.100111.6I265 Y279 R346 P347 C350I265-M267 HydrophobicContact CG2-CG 4.19Å; I265-M267 HydrophobicContact CG2-SD 4.43Å; I265-M267 PolarHBondContact O-N 3.17Å; M267-Y279 HydrophobicContact CB-CD2 3.87Å; M267-Y279 HydrophobicContact CB-CE2 3.91Å; M267-Y279 HydrophobicContact CE-CD2 4.12Å; M267-Y279 HydrophobicContact CE-CE2 4.22Å; M267-Y279 HydrophobicContact CG-CD2 3.97Å; M267-Y279 HydrophobicContact CG-CE2 4.46Å; M267-Y279 HydrophobicContact SD-CD2 3.36Å; M267-Y279 WeakPolarHBondContact SD-CD2 3.49Å; M267-Y279 HydrophobicContact SD-CE2 4.03Å; M267-Y279 HydrophobicContact SD-CG 3.93Å; M267-R346 HydrophobicContact CE-CG 3.86Å; M267-P347 HydrophobicContact SD-CB 4.14Å; M267-P347 HydrophobicContact SD-CG 4.49Å; M267-C350 HydrophobicContact CE-CB 3.84Å; M267-C350 VanDerWaalsContact CE-SG 3.57Å; M267-C350 HydrophobicContact SD-CB 4.12Å
268K67.3Low73.4Confident182 Ų18267.8 Ų67.879%0.79137%0.37SS*.  trans-89129.5168.9-68.8-172.8176.3-173.10109.7R346K268-R346 PolarHBondContact O-NH2 3.29Å; K268-R346 VanDerWaalsContact O-NH2 3.14Å
269E65.5Low72.9Confident49 Ų4970.3 Ų70.323%0.22938%0.376CS..  trans-79.7136.8169.8-62.6-175.4139.400109.9H272 T275 A277E269-H272 HydrophobicContact CB-CB 4.5Å; E269-T275 PolarHBondContact OE2-OG1 3.22Å; E269-A277 HydrophobicContact CG-CB 4.43Å; E269-A277 WeakPolarHBondContact OE1-CB 3.32Å
270E58.2Low72.8Confident160 Ų16073.7 Ų73.775%0.74839%0.394SS*.SBendtrans-76.1-29-178.2-79162.9143.100113R346E270-R346 IonicContact OE2-CZ 3.93Å; E270-R346 IonicContact OE2-NH1 2.96Å; E270-R346 PolarHBondContact OE2-NH1 3.06Å; E270-R346 IonicContact OE2-NH2 3.16Å; E270-R346 PolarHBondContact OE2-NH2 2.82Å
271Q52.8Low72.8Confident177 Ų17773.8 Ų73.883%0.82739%0.394SS*.SBendtrans-89.9-20.5-179.7-67.4-177.8-13.200112.7
272H53.9Low72.8Confident120 Ų12075.1 Ų75.156%0.55640%0.4SS*.  trans-137.475.2-178-59.6-36.6000110.8E269 N274 T275E269-H272 HydrophobicContact CB-CB 4.5Å; H272-N274 PolarHBondContact O-N 3.25Å; H272-T275 WeakPolarHBondContact CB-OG1 3.4Å; H272-T275 PolarHBondContact O-N 2.61Å; H272-T275 PolarHBondContact O-OG1 2.98Å
273A53Low73Confident84 Ų8475.3 Ų75.369%0.69440%0.401SS*.THydrogen-bonded Turntrans-59.9-7.7-177.200000115.6
274N53.3Low73.2Confident168 Ų16874.4 Ų74.490%0.89840%0.396SS*.THydrogen-bonded Turntrans-99.6-4.1177.7-64.6-11.6000113.6H272H272-N274 PolarHBondContact O-N 3.25Å
275T47.2Very low73.6Confident72 Ų7271.6 Ų71.644%0.44238%0.381SS..  trans-117.6132.4174.945.50000110.9E269 H272E269-T275 PolarHBondContact OE2-OG1 3.22Å; H272-T275 WeakPolarHBondContact CB-OG1 3.4Å; H272-T275 PolarHBondContact O-N 2.61Å; H272-T275 PolarHBondContact O-OG1 2.98Å
276S55.1Low73.9Confident92 Ų9272.6 Ų72.664%0.64339%0.385SS*.  trans-107.6110.9171.558.70000109.2
277A61.4Low74.4Confident27 Ų2774.4 Ų74.422%0.22338%0.383CS..  trans-79.6142.416700000110.3E269 Y279E269-A277 HydrophobicContact CG-CB 4.43Å; E269-A277 WeakPolarHBondContact OE1-CB 3.32Å; A277-Y279 HydrophobicContact CB-CD2 4.36Å; A277-Y279 HydrophobicContact CB-CE2 3.6Å
278N72.9Confident75.4Confident96 Ų9676.4 Ų76.451%0.51339%0.394SS..EExtended strand (participates in β ladder)trans-86.9131.1168.7-73.3-39.8000108.2
279Y84.6Confident76.6Confident70 Ų7067.8 Ų67.828%0.27536%0.357SS..EExtended strand (participates in β ladder)trans-118.8155.2173.5-61.2-88.5000110.8I265 M267 A277 P347I265-Y279 WeakPolarHBondContact CB-O 3.49Å; I265-Y279 WeakPolarHBondContact CG1-O 3.47Å; I265-Y279 PolarHBondContact N-O 2.92Å; I265-Y279 PolarHBondContact O-N 3.04Å; M267-Y279 HydrophobicContact CB-CD2 3.87Å; M267-Y279 HydrophobicContact CB-CE2 3.91Å; M267-Y279 HydrophobicContact CE-CD2 4.12Å; M267-Y279 HydrophobicContact CE-CE2 4.22Å; M267-Y279 HydrophobicContact CG-CD2 3.97Å; M267-Y279 HydrophobicContact CG-CE2 4.46Å; M267-Y279 HydrophobicContact SD-CD2 3.36Å; M267-Y279 WeakPolarHBondContact SD-CD2 3.49Å; M267-Y279 HydrophobicContact SD-CE2 4.03Å; M267-Y279 HydrophobicContact SD-CG 3.93Å; A277-Y279 HydrophobicContact CB-CD2 4.36Å; A277-Y279 HydrophobicContact CB-CE2 3.6Å; Y279-P347 HydrophobicContact CD1-CG 3.75Å; Y279-P347 HydrophobicContact CG-CB 4.31Å; Y279-P347 HydrophobicContact CG-CG 3.83Å
280D91.1Very high77.8Confident74 Ų7465.7 Ų65.740%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-107.4141.4175.6-59.8-19.5000109.7T261 I262 T263T261-D280 HydrophobicContact CG2-CB 3.97Å; I262-D280 CarbonylContact O-C 3.49Å; I262-D280 VanDerWaalsContact O-CA 3.22Å; I262-D280 WeakPolarHBondContact O-CA 3.36Å; T263-D280 WeakPolarHBondContact CA-OD1 3.27Å; T263-D280 WeakPolarHBondContact CB-OD1 3.45Å; T263-D280 WeakPolarHBondContact CG2-OD1 3.34Å
281V94.9Very high79.1Confident3 Ų360.7 Ų60.72%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-127.6125.9173.8171.20000109.5I262 I265 L283 P347 S348 L351I262-V281 PolarHBondContact N-O 3.15Å; I262-V281 PolarHBondContact O-N 2.97Å; I265-V281 HydrophobicContact CD1-CB 3.73Å; I265-V281 HydrophobicContact CD1-CG2 3.5Å; V281-L283 HydrophobicContact CG1-CD2 3.74Å; V281-L283 HydrophobicContact CG1-CG 4.35Å; V281-P347 VanDerWaalsContact CG2-C 3.42Å; V281-P347 HydrophobicContact CG2-CB 3.56Å; V281-S348 WeakPolarHBondContact CG1-OG 3.47Å; V281-L351 HydrophobicContact CB-CD2 3.91Å; V281-L351 HydrophobicContact CG1-CD2 3.69Å; V281-L351 HydrophobicContact CG2-CB 4.48Å; V281-L351 HydrophobicContact CG2-CD2 4.31Å
282E95.6Very high80.1Confident38 Ų3855.4 Ų55.418%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-90130.4173.5-166.5-174.2-143.700110.9S259 K312 P340 T341S259-E282 WeakPolarHBondContact OG-CG 3.42Å; S259-E282 PolarHBondContact OG-OE1 3.45Å; E282-K312 WeakPolarHBondContact OE1-CE 3.2Å; E282-K312 IonicContact OE1-NZ 3.81Å; E282-K312 PolarHBondContact OE1-NZ 3.46Å; E282-K312 IonicContact OE2-NZ 2.73Å; E282-K312 PolarHBondContact OE2-NZ 3.44Å; E282-P340 WeakPolarHBondContact O-CA 3.47Å; E282-T341 PolarHBondContact O-N 3.13Å; E282-T341 WeakPolarHBondContact OE2-CB 3.44Å; E282-T341 PolarHBondContact OE2-OG1 2.94Å
283L97.4Very high80.9Confident3 Ų350.2 Ų50.22%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-120.4135.9175.7-56.2-175.5000110.4S259 T260 I262 V281 I338 P340 L351 L378S259-L283 WeakPolarHBondContact CA-O 3.33Å; T260-L283 PolarHBondContact N-O 3.5Å; T260-L283 PolarHBondContact O-N 3.32Å; I262-L283 HydrophobicContact CD1-CD1 3.61Å; I262-L283 HydrophobicContact CD1-CG 4.31Å; V281-L283 HydrophobicContact CG1-CD2 3.74Å; V281-L283 HydrophobicContact CG1-CG 4.35Å; L283-I338 HydrophobicContact CB-CB 4.5Å; L283-I338 HydrophobicContact CD1-CB 4.35Å; L283-I338 HydrophobicContact CD1-CD1 4.16Å; L283-I338 HydrophobicContact CD1-CG1 4.38Å; L283-I338 HydrophobicContact CD1-CG2 4.41Å; L283-I338 HydrophobicContact CD2-CD1 4.03Å; L283-P340 HydrophobicContact CD2-CB 3.76Å; L283-P340 HydrophobicContact CD2-CG 3.92Å; L283-L351 HydrophobicContact CD1-CD2 4.45Å; L283-L351 HydrophobicContact CD2-CD2 4.44Å; L283-L378 HydrophobicContact CD1-CD1 3.79Å; L283-L378 HydrophobicContact CD1-CD2 4.05Å
284L97.8Very high81.6Confident0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-98.9141.7169.3-60.4-178.5000110.6I65 V251 Q252 L257 A258 I338 S339I65-L284 HydrophobicContact CD1-CD1 4.07Å; I65-L284 HydrophobicContact CG2-CB 4.43Å; I65-L284 HydrophobicContact CG2-CD1 3.8Å; V251-L284 HydrophobicContact CG1-CD1 4.5Å; Q252-L284 HydrophobicContact CG-CD1 4.13Å; Q252-L284 HydrophobicContact CG-CD2 3.9Å; L257-L284 HydrophobicContact CD1-CB 4.39Å; A258-L284 WeakPolarHBondContact O-CA 3.42Å; L284-I338 CarbonylContact O-C 3.51Å; L284-I338 WeakPolarHBondContact O-CA 3.38Å; L284-S339 PolarHBondContact N-O 2.94Å; L284-S339 PolarHBondContact O-N 3.12Å
285H97.5Very high82.2Confident0 Ų050.6 Ų50.60%025%0.254CS..EExtended strand (participates in β ladder)trans-160.4170.5178.854.177.7000110.4L257 A258 T260 R287 A289 H290 R337 I338L257-H285 CarbonylContact C-O 3.54Å; L257-H285 WeakPolarHBondContact CA-O 3.47Å; L257-H285 WeakPolarHBondContact CB-O 3.22Å; A258-H285 PolarHBondContact N-O 3.08Å; A258-H285 PolarHBondContact O-N 3.35Å; A258-H285 VanDerWaalsContact O-N 3.12Å; T260-H285 PolarHBondContact OG1-NE2 3.26Å; H285-R287 PolarHBondContact O-N 2.84Å; H285-A289 WeakPolarHBondContact ND1-CB 3.38Å; H285-H290 AromaticContact CE1-CD2 3.89Å; H285-H290 AromaticContact CE1-NE2 3.72Å; H285-H290 AromaticContact NE2-NE2 3.67Å; H285-R337 VanDerWaalsContact CB-O 3.26Å; H285-R337 WeakPolarHBondContact CB-O 3.49Å; H285-I338 HydrophobicContact CB-CG2 4.15Å
286H96Very high82.9Confident26 Ų2650.9 Ų50.912%0.1226%0.259CS..EExtended strand (participates in β ladder)trans-55.1137.1173.6-159.8-64.2000111M1 Y70 D288 A289 Y336M1-H286 VanDerWaalsContact CE-NE2 3.28Å; M1-H286 WeakPolarHBondContact CE-NE2 3.46Å; Y70-H286 AromaticContact CZ-CD2 3.89Å; Y70-H286 PolarHBondContact OH-CD2 3.45Å; H286-D288 IonicContact CE1-OD1 3.89Å; H286-D288 PolarHBondContact CE1-OD1 3.06Å; H286-D288 IonicContact CE1-OD2 3.16Å; H286-D288 PolarHBondContact CE1-OD2 3.17Å; H286-D288 WeakPolarHBondContact ND1-CB 3.21Å; H286-D288 PolarHBondContact ND1-N 2.8Å; H286-D288 IonicContact ND1-OD1 3.34Å; H286-D288 PolarHBondContact ND1-OD1 2.96Å; H286-D288 VanDerWaalsContact ND1-OD1 3.16Å; H286-D288 IonicContact ND1-OD2 2.79Å; H286-D288 PolarHBondContact O-N 3.24Å; H286-A289 PolarHBondContact O-N 3.27Å; H286-Y336 HydrophobicContact CB-CD1 3.87Å
287R93.6Very high82.9Confident107 Ų10749.1 Ų49.140%0.40426%0.255SS..G310 helixtrans-56.9-16.217867.5-174.8-69178.92.4115.2D256 A258 H285 A289 H290D256-R287 HydrophobicContact CB-CG 4.14Å; D256-R287 WeakPolarHBondContact O-CB 3.36Å; D256-R287 VanDerWaalsContact O-CG 3.23Å; D256-R287 WeakPolarHBondContact O-CG 3.47Å; D256-R287 PolarHBondContact O-N 3.28Å; D256-R287 WeakPolarHBondContact OD1-CD 3.42Å; D256-R287 IonicContact OD1-CZ 3.91Å; D256-R287 IonicContact OD1-NH1 3.86Å; D256-R287 PolarHBondContact OD1-NH1 2.79Å; A258-R287 HydrophobicContact CB-CB 4.19Å; H285-R287 PolarHBondContact O-N 2.84Å; R287-A289 PolarHBondContact O-N 3.13Å; R287-H290 PolarHBondContact O-N 2.86Å
288D93.8Very high82.6Confident56 Ų5650.4 Ų50.430%0.29926%0.258SS..G310 helixtrans-73-19.8-173.5-74.419.1000111.2H286 H290 I291 Y336H286-D288 IonicContact CE1-OD1 3.89Å; H286-D288 PolarHBondContact CE1-OD1 3.06Å; H286-D288 IonicContact CE1-OD2 3.16Å; H286-D288 PolarHBondContact CE1-OD2 3.17Å; H286-D288 WeakPolarHBondContact ND1-CB 3.21Å; H286-D288 PolarHBondContact ND1-N 2.8Å; H286-D288 IonicContact ND1-OD1 3.34Å; H286-D288 PolarHBondContact ND1-OD1 2.96Å; H286-D288 VanDerWaalsContact ND1-OD1 3.16Å; H286-D288 IonicContact ND1-OD2 2.79Å; H286-D288 PolarHBondContact O-N 3.24Å; D288-H290 PolarHBondContact O-N 3.34Å; D288-H290 VanDerWaalsContact O-N 3.15Å; D288-I291 HydrophobicContact CB-CD1 3.74Å; D288-I291 HydrophobicContact CB-CG1 4.44Å; D288-I291 VanDerWaalsContact CG-CD1 3.41Å; D288-I291 PolarHBondContact O-N 2.87Å; D288-I291 WeakPolarHBondContact OD1-CD1 3.23Å; D288-Y336 HydrophobicContact CB-CD1 4.48Å; D288-Y336 HydrophobicContact CB-CE1 3.56Å; D288-Y336 WeakPolarHBondContact CB-OH 3.32Å
289A93.5Very high81.5Confident2 Ų247.7 Ų47.72%0.01724%0.244CC..G310 helixtrans-56.1-24.9165.700000112.9H285 H286 R287 Y336 H376 L387 V389H285-A289 WeakPolarHBondContact ND1-CB 3.38Å; H286-A289 PolarHBondContact O-N 3.27Å; R287-A289 PolarHBondContact O-N 3.13Å; A289-Y336 VanDerWaalsContact CA-CE2 3.49Å; A289-Y336 HydrophobicContact CB-CD2 3.57Å; A289-Y336 HydrophobicContact CB-CE2 4.01Å; A289-Y336 HydrophobicContact CB-CG 4.1Å; A289-H376 PolarHBondContact O-NE2 2.87Å; A289-H376 VanDerWaalsContact O-NE2 3.08Å; A289-L387 HydrophobicContact CB-CD2 3.95Å; A289-V389 HydrophobicContact CB-CG2 4.21Å; A289-V389 WeakPolarHBondContact O-CG2 3.44Å
290H90.3Very high79.8Confident4 Ų452.8 Ų52.82%0.01927%0.269CS..G310 helixtrans-110.19.2-177.6-63-17.3000114.1T260 H285 R287 D288 E292 F293 F294 H376T260-H290 PolarHBondContact OG1-NE2 3.2Å; H285-H290 AromaticContact CE1-CD2 3.89Å; H285-H290 AromaticContact CE1-NE2 3.72Å; H285-H290 AromaticContact NE2-NE2 3.67Å; R287-H290 PolarHBondContact O-N 2.86Å; D288-H290 PolarHBondContact O-N 3.34Å; D288-H290 VanDerWaalsContact O-N 3.15Å; H290-E292 PolarHBondContact O-N 3.39Å; H290-F293 HydrophobicContact CB-CD2 3.95Å; H290-F293 AromaticContact CE1-CD2 3.61Å; H290-F293 AromaticContact CE1-CE2 3.51Å; H290-F293 AromaticContact ND1-CD2 3.83Å; H290-F293 AromaticContact ND1-CE2 3.84Å; H290-F293 WeakPolarHBondContact O-CB 3.26Å; H290-F293 PolarHBondContact O-N 2.74Å; H290-F294 HydrophobicContact CB-CD2 4.1Å; H290-F294 HydrophobicContact CB-CE2 3.64Å; H290-F294 HydrophobicContact CB-CZ 4.3Å; H290-F294 WeakPolarHBondContact O-CD2 3.47Å; H290-F294 PolarHBondContact O-N 3.34Å; H290-F294 VanDerWaalsContact O-N 3.08Å; H290-H376 AromaticContact CE1-CE1 3.55Å; H290-H376 AromaticContact CE1-NE2 3.15Å; H290-H376 PolarHBondContact CE1-NE2 2.94Å
291I84.3Confident77.6Confident56 Ų5654.4 Ų54.429%0.28728%0.276SS..Hα-helixtrans-54.8-37.9179.8-87.5169.7000112.7D288 F293 F294 K295D288-I291 HydrophobicContact CB-CD1 3.74Å; D288-I291 HydrophobicContact CB-CG1 4.44Å; D288-I291 VanDerWaalsContact CG-CD1 3.41Å; D288-I291 PolarHBondContact O-N 2.87Å; D288-I291 WeakPolarHBondContact OD1-CD1 3.23Å; I291-F293 VanDerWaalsContact C-N 3.35Å; I291-F294 PolarHBondContact O-N 3.45Å; I291-K295 HydrophobicContact CG2-CD 3.87Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.5Å; I291-K295 WeakPolarHBondContact O-CG 3.41Å; I291-K295 PolarHBondContact O-N 3.05Å
292E74.8Confident75.4Confident66 Ų6654.5 Ų54.531%0.30828%0.277SS..Hα-helixtrans-66.9-35.1179.3-63.4-174-160.300111.8H290 S296 T333H290-E292 PolarHBondContact O-N 3.39Å; E292-S296 PolarHBondContact O-N 2.72Å; E292-S296 PolarHBondContact O-OG 2.92Å; E292-S296 VanDerWaalsContact O-OG 3.09Å; E292-T333 PolarHBondContact OE1-OG1 3.14Å
293F71.6Confident73.1Confident11 Ų1154.3 Ų54.35%0.04829%0.285CS..Hα-helixtrans-67.5-46.5172.5-65-67.8000112.6H290 I291 K295 S296 G297 D298 L299 A302 M315 L317 Q365 H376H290-F293 HydrophobicContact CB-CD2 3.95Å; H290-F293 AromaticContact CE1-CD2 3.61Å; H290-F293 AromaticContact CE1-CE2 3.51Å; H290-F293 AromaticContact ND1-CD2 3.83Å; H290-F293 AromaticContact ND1-CE2 3.84Å; H290-F293 WeakPolarHBondContact O-CB 3.26Å; H290-F293 PolarHBondContact O-N 2.74Å; I291-F293 VanDerWaalsContact C-N 3.35Å; F293-K295 VanDerWaalsContact C-N 3.28Å; F293-K295 PolarHBondContact O-N 2.87Å; F293-S296 PolarHBondContact O-N 3.12Å; F293-G297 PolarHBondContact O-N 3.02Å; F293-D298 PolarHBondContact O-N 2.78Å; F293-L299 HydrophobicContact CB-CD1 4.27Å; F293-A302 HydrophobicContact CD1-CB 4.48Å; F293-A302 HydrophobicContact CE1-CB 4.36Å; F293-M315 HydrophobicContact CB-CE 4.1Å; F293-M315 HydrophobicContact CD1-CE 4.31Å; F293-M315 HydrophobicContact CD2-CE 3.72Å; F293-M315 HydrophobicContact CD2-SD 4.39Å; F293-M315 HydrophobicContact CE1-SD 4.49Å; F293-M315 HydrophobicContact CE2-CE 4.1Å; F293-M315 HydrophobicContact CE2-CG 4.3Å; F293-M315 HydrophobicContact CE2-SD 4.18Å; F293-M315 HydrophobicContact CG-CE 3.83Å; F293-M315 HydrophobicContact CZ-SD 4.25Å; F293-L317 HydrophobicContact CZ-CD2 4.47Å; F293-Q365 HydrophobicContact CE1-CG 4.02Å; F293-Q365 HydrophobicContact CZ-CG 4.13Å; F293-H376 AromaticContact CE2-CE1 3.35Å; F293-H376 WeakPolarHBondContact CE2-CE1 3.26Å; F293-H376 AromaticContact CZ-CE1 3.83Å
294F67Low70.9Confident89 Ų8956.5 Ų56.539%0.3930%0.299SS..Hα-helixtrans-61.6-37.2-179.8-67.4-59.8000112H290 I291 L299H290-F294 HydrophobicContact CB-CD2 4.1Å; H290-F294 HydrophobicContact CB-CE2 3.64Å; H290-F294 HydrophobicContact CB-CZ 4.3Å; H290-F294 WeakPolarHBondContact O-CD2 3.47Å; H290-F294 PolarHBondContact O-N 3.34Å; H290-F294 VanDerWaalsContact O-N 3.08Å; I291-F294 PolarHBondContact O-N 3.45Å; F294-L299 HydrophobicContact CD1-CD1 3.53Å; F294-L299 HydrophobicContact CD1-CD2 4.04Å; F294-L299 HydrophobicContact CD1-CG 4.46Å; F294-L299 HydrophobicContact CE1-CD1 3.72Å; F294-L299 HydrophobicContact CE1-CD2 3.86Å; F294-L299 HydrophobicContact CE1-CG 4.42Å; F294-L299 HydrophobicContact CG-CD1 4.38Å
295K66.6Low68.6Low171 Ų17158.8 Ų58.874%0.74332%0.315SS*.Hα-helixtrans-71.3-35.5178.4-76.3173.6175.8172.20113.6I291 F293 G297I291-K295 HydrophobicContact CG2-CD 3.87Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.5Å; I291-K295 WeakPolarHBondContact O-CG 3.41Å; I291-K295 PolarHBondContact O-N 3.05Å; F293-K295 VanDerWaalsContact C-N 3.28Å; F293-K295 PolarHBondContact O-N 2.87Å; K295-G297 VanDerWaalsContact C-N 3.3Å
296S60.7Low66Low78 Ų7864.2 Ų64.255%0.54535%0.348SS..Hα-helixtrans-79.6-10-179.2-60.20000113.8E292 F293 D298E292-S296 PolarHBondContact O-N 2.72Å; E292-S296 PolarHBondContact O-OG 2.92Å; E292-S296 VanDerWaalsContact O-OG 3.09Å; F293-S296 PolarHBondContact O-N 3.12Å; S296-D298 PolarHBondContact O-N 3.4Å
297G56.1Low63.7Low54 Ų5471.2 Ų71.256%0.55737%0.374SS*.THydrogen-bonded Turntrans73.16.1-173.900000114.1F293 K295 L299F293-G297 PolarHBondContact O-N 3.02Å; K295-G297 VanDerWaalsContact C-N 3.3Å; G297-L299 PolarHBondContact O-N 2.91Å
298D54Low60.9Low55 Ų5575.1 Ų75.129%0.29440%0.396SS..G310 helixtrans-74.68.6-172.5-91.3-37.7000114.5F293 S296 H300 M301 A302F293-D298 PolarHBondContact O-N 2.78Å; S296-D298 PolarHBondContact O-N 3.4Å; D298-H300 PolarHBondContact O-N 2.95Å; D298-M301 HydrophobicContact CB-CB 4.42Å; D298-M301 WeakPolarHBondContact O-CA 3.49Å; D298-M301 WeakPolarHBondContact O-CB 3.29Å; D298-M301 PolarHBondContact O-N 3.18Å; D298-A302 PolarHBondContact O-N 2.84Å
299L51.3Low58.1Low39 Ų3980 Ų8020%0.20442%0.422CS..G310 helixtrans-56.7-33.8177.8-117.569000112.9F293 F294 G297 M301 T304 E313 M315F293-L299 HydrophobicContact CB-CD1 4.27Å; F294-L299 HydrophobicContact CD1-CD1 3.53Å; F294-L299 HydrophobicContact CD1-CD2 4.04Å; F294-L299 HydrophobicContact CD1-CG 4.46Å; F294-L299 HydrophobicContact CE1-CD1 3.72Å; F294-L299 HydrophobicContact CE1-CD2 3.86Å; F294-L299 HydrophobicContact CE1-CG 4.42Å; F294-L299 HydrophobicContact CG-CD1 4.38Å; G297-L299 PolarHBondContact O-N 2.91Å; L299-M301 VanDerWaalsContact C-N 3.32Å; L299-T304 PolarHBondContact O-OG1 3.04Å; L299-E313 VanDerWaalsContact CD2-OE1 3.3Å; L299-E313 WeakPolarHBondContact CD2-OE1 3.21Å; L299-M315 HydrophobicContact CD1-CE 4.4Å
300H47.3Very low55.5Low176 Ų17682.7 Ų82.782%0.81545%0.451SS*.G310 helixtrans-76.9-14.9173.8-77.7-64.2000114.2D298D298-H300 PolarHBondContact O-N 2.95Å
301M45Very low53.4Low109 Ų10987.7 Ų87.754%0.53748%0.481SS..THydrogen-bonded Turntrans-95.7-33.3-179.8-70.9-68.5-77.300112.1D298 L299 G303D298-M301 HydrophobicContact CB-CB 4.42Å; D298-M301 WeakPolarHBondContact O-CA 3.49Å; D298-M301 WeakPolarHBondContact O-CB 3.29Å; D298-M301 PolarHBondContact O-N 3.18Å; L299-M301 VanDerWaalsContact C-N 3.32Å; M301-G303 PolarHBondContact O-N 3.3Å
302A48.9Very low52.2Low4 Ų487.4 Ų87.43%0.03348%0.478CS..THydrogen-bonded Turntrans-8437.1-176.500000114.5F293 D298 T304 M315F293-A302 HydrophobicContact CD1-CB 4.48Å; F293-A302 HydrophobicContact CE1-CB 4.36Å; D298-A302 PolarHBondContact O-N 2.84Å; A302-T304 PolarHBondContact O-N 2.91Å; A302-M315 HydrophobicContact CB-CE 4.04Å; A302-M315 HydrophobicContact CB-SD 3.4Å; A302-M315 WeakPolarHBondContact CB-SD 3.18Å
303G47.9Very low52.1Low34 Ų3489.7 Ų89.735%0.35149%0.489SS..THydrogen-bonded Turntrans54.246.8165.200000115.6M301 S305 T316M301-G303 PolarHBondContact O-N 3.3Å; G303-S305 PolarHBondContact O-N 3.08Å; G303-T316 VanDerWaalsContact O-CB 3.26Å; G303-T316 WeakPolarHBondContact O-CB 3.37Å; G303-T316 PolarHBondContact O-OG1 3.09Å
304T51Low52.8Low50 Ų5089.5 Ų89.531%0.30749%0.489SS..  trans-56.8111.7173.5350000110.4L299 A302 E313L299-T304 PolarHBondContact O-OG1 3.04Å; A302-T304 PolarHBondContact O-N 2.91Å; T304-E313 HydrophobicContact CG2-CG 3.95Å
305S48.6Very low53.8Low47 Ų4785.7 Ų85.733%0.32947%0.472SS..  trans-96.998.4-179.850.10000109.8G303 R307 T316G303-S305 PolarHBondContact O-N 3.08Å; S305-R307 PolarHBondContact O-N 2.97Å; S305-T316 PolarHBondContact OG-OG1 2.71Å
306T44.4Very low55Low115 Ų11578.5 Ų78.571%0.70644%0.442SS*.  trans-68.594.4167.834.70000109.4
307R46.3Very low56.5Low173 Ų17374.8 Ų74.865%0.65342%0.416SS*.  trans-62151.4165.2-79.6-171.6168.2-171.9-1.4109.9S305 N309 G310S305-R307 PolarHBondContact O-N 2.97Å; R307-N309 PolarHBondContact O-N 2.76Å; R307-G310 PolarHBondContact O-N 3.04Å; R307-G310 VanDerWaalsContact O-N 3.15Å
308E35.4Very low58.2Low189 Ų18975.6 Ų75.688%0.88341%0.405SS*.THydrogen-bonded Turntrans-50.4137.1-177.6-64.1178140.700110.9
309N34.9Very low60Low157 Ų15774 Ų7484%0.8439%0.394SS*.THydrogen-bonded Turntrans88.6-2.8-167.2-55.1-14.1000117.6R307 V311R307-N309 PolarHBondContact O-N 2.76Å; N309-V311 VanDerWaalsContact C-N 3.3Å; N309-V311 WeakPolarHBondContact O-CG2 3.43Å; N309-V311 PolarHBondContact O-N 2.92Å
310G39.8Very low61.8Low60 Ų6073.1 Ų73.162%0.61939%0.391SS*.SBendtrans64.614.2152.200000118.9R307R307-G310 PolarHBondContact O-N 3.04Å; R307-G310 VanDerWaalsContact O-N 3.15Å
311V46.3Very low63.2Low109 Ų10969.1 Ų69.166%0.66138%0.379SS*.  trans-109.6-16.9-177.1172.40000113.8I249 N309I249-V311 HydrophobicContact CD1-CG1 3.82Å; N309-V311 VanDerWaalsContact C-N 3.3Å; N309-V311 WeakPolarHBondContact O-CG2 3.43Å; N309-V311 PolarHBondContact O-N 2.92Å
312K57.6Low64.2Low49 Ų4965.4 Ų65.421%0.21336%0.363CS..  trans-112.2111.1-176.7-162.7172.6-175.1-179.90111.5N248 Q252 E282N248-K312 PolarHBondContact OD1-NZ 2.99Å; Q252-K312 VanDerWaalsContact OE1-CE 3.31Å; E282-K312 WeakPolarHBondContact OE1-CE 3.2Å; E282-K312 IonicContact OE1-NZ 3.81Å; E282-K312 PolarHBondContact OE1-NZ 3.46Å; E282-K312 IonicContact OE2-NZ 2.73Å; E282-K312 PolarHBondContact OE2-NZ 3.44Å
313E73.5Confident65Low114 Ų11476.7 Ų76.753%0.53341%0.405SS..  trans-84.9129.2169.9-173.7171.7-150.300109.4L299 T304L299-E313 VanDerWaalsContact CD2-OE1 3.3Å; L299-E313 WeakPolarHBondContact CD2-OE1 3.21Å; T304-E313 HydrophobicContact CG2-CG 3.95Å
314T86.3Confident65.5Low8 Ų878.3 Ų78.35%0.04941%0.408CS..EExtended strand (participates in β ladder)trans-134.5138.5179.2-175.60000110.6S259 T261S259-T314 WeakPolarHBondContact O-CA 3.33Å; S259-T314 PolarHBondContact O-OG1 2.99Å; S259-T314 VanDerWaalsContact OG-CB 3.32Å; S259-T314 WeakPolarHBondContact OG-CB 3.26Å; S259-T314 PolarHBondContact OG-OG1 3.01Å; T261-T314 PolarHBondContact N-OG1 2.85Å; T261-T314 WeakPolarHBondContact OG1-CG2 3.42Å; T261-T314 PolarHBondContact OG1-OG1 3.29Å
315M88.4Confident65.6Low9 Ų983.1 Ų83.14%0.04443%0.432CS..EExtended strand (participates in β ladder)trans-80.3115.5177.2-178.359.565.700109.5S259 T260 T261 F293 L299 A302 L317S259-M315 PolarHBondContact O-N 2.66Å; T260-M315 CarbonylContact C-O 3.53Å; T260-M315 WeakPolarHBondContact CA-O 3.43Å; T261-M315 PolarHBondContact N-O 2.72Å; F293-M315 HydrophobicContact CB-CE 4.1Å; F293-M315 HydrophobicContact CD1-CE 4.31Å; F293-M315 HydrophobicContact CD2-CE 3.72Å; F293-M315 HydrophobicContact CD2-SD 4.39Å; F293-M315 HydrophobicContact CE1-SD 4.49Å; F293-M315 HydrophobicContact CE2-CE 4.1Å; F293-M315 HydrophobicContact CE2-CG 4.3Å; F293-M315 HydrophobicContact CE2-SD 4.18Å; F293-M315 HydrophobicContact CG-CE 3.83Å; F293-M315 HydrophobicContact CZ-SD 4.25Å; L299-M315 HydrophobicContact CD1-CE 4.4Å; A302-M315 HydrophobicContact CB-CE 4.04Å; A302-M315 HydrophobicContact CB-SD 3.4Å; A302-M315 WeakPolarHBondContact CB-SD 3.18Å; M315-L317 HydrophobicContact CG-CD2 4.34Å; M315-L317 HydrophobicContact CG-CG 4.21Å; M315-L317 PolarHBondContact O-N 3.38Å
316T90.6Very high65.9Low19 Ų1984.1 Ų84.112%0.11744%0.439CS..EExtended strand (participates in β ladder)trans-85.6115.7179.6-53.10000109.8T261 T263 G303 S305 P366T261-T316 WeakPolarHBondContact O-CA 3.46Å; T263-T316 HydrophobicContact CG2-CG2 3.53Å; G303-T316 VanDerWaalsContact O-CB 3.26Å; G303-T316 WeakPolarHBondContact O-CB 3.37Å; G303-T316 PolarHBondContact O-OG1 3.09Å; S305-T316 PolarHBondContact OG-OG1 2.71Å; T316-P366 HydrophobicContact CG2-CG 4.29Å; T316-P366 WeakPolarHBondContact O-CD 3.44Å; T316-P366 VanDerWaalsContact O-CG 3.26Å; T316-P366 WeakPolarHBondContact O-CG 3.32Å
317L92.3Very high66.5Low0 Ų087.2 Ų87.20%045%0.449CS..EExtended strand (participates in β ladder)trans-117.2151.5172.9-64.3-178.2000110.6T260 T261 I262 T263 F293 M315 L363 Q365 H376T260-L317 HydrophobicContact CG2-CB 4.27Å; T260-L317 HydrophobicContact CG2-CD1 3.84Å; T260-L317 HydrophobicContact CG2-CG 4.06Å; T261-L317 PolarHBondContact O-N 2.91Å; I262-L317 CarbonylContact C-O 3.33Å; I262-L317 WeakPolarHBondContact CA-O 3.33Å; T263-L317 PolarHBondContact N-O 3.26Å; T263-L317 PolarHBondContact OG1-O 2.74Å; F293-L317 HydrophobicContact CZ-CD2 4.47Å; M315-L317 HydrophobicContact CG-CD2 4.34Å; M315-L317 HydrophobicContact CG-CG 4.21Å; M315-L317 PolarHBondContact O-N 3.38Å; L317-L363 HydrophobicContact CB-CB 4.2Å; L317-L363 HydrophobicContact CD1-CB 4.06Å; L317-L363 HydrophobicContact CD1-CD1 3.95Å; L317-Q365 HydrophobicContact CD2-CG 4.36Å; L317-H376 HydrophobicContact CD1-CB 4.05Å
318K92.2Very high67.6Low72 Ų7283.5 Ų83.531%0.31344%0.439SS..EExtended strand (participates in β ladder)trans-108.6131-176.7-180173177.5168.90111.5T263 N264 C320 L363 E364T263-K318 WeakPolarHBondContact OG1-CA 3.36Å; N264-K318 HydrophobicContact CB-CG 4.25Å; N264-K318 WeakPolarHBondContact ND2-CE 3.43Å; K318-C320 PolarHBondContact O-N 3.39Å; K318-L363 WeakPolarHBondContact O-CA 3.22Å; K318-E364 HydrophobicContact CB-CB 4.25Å; K318-E364 PolarHBondContact N-O 3.12Å; K318-E364 PolarHBondContact O-N 2.96Å
319W92Very high69.7Low21 Ų2182.9 Ų82.98%0.0844%0.441CS..EExtended strand (participates in β ladder)trans-55.6126.2171.5176.2-71.7000111.1T263 I265 P266 T321 L351 F354 V361T263-W319 WeakPolarHBondContact O-CB 3.49Å; T263-W319 PolarHBondContact O-N 3.16Å; I265-W319 HydrophobicContact CB-CE3 4.42Å; I265-W319 HydrophobicContact CG1-CE3 4.12Å; I265-W319 HydrophobicContact CG2-CE3 4.05Å; I265-W319 HydrophobicContact CG2-CZ3 4.13Å; P266-W319 HydrophobicContact CG-CZ2 4.42Å; W319-T321 PolarHBondContact NE1-OG1 2.87Å; W319-T321 VanDerWaalsContact NE1-OG1 3.16Å; W319-L351 HydrophobicContact CE3-CD1 4.18Å; W319-L351 HydrophobicContact CZ3-CD1 3.64Å; W319-F354 AromaticContact CH2-CD1 3.73Å; W319-F354 HydrophobicContact CH2-CD1 3.73Å; W319-F354 HydrophobicContact CH2-CD2 4.11Å; W319-F354 AromaticContact CH2-CE1 3.62Å; W319-F354 HydrophobicContact CH2-CE1 3.62Å; W319-F354 AromaticContact CH2-CE2 3.98Å; W319-F354 HydrophobicContact CH2-CE2 3.98Å; W319-F354 AromaticContact CH2-CG 3.98Å; W319-F354 HydrophobicContact CH2-CG 3.98Å; W319-F354 AromaticContact CH2-CZ 3.74Å; W319-F354 HydrophobicContact CH2-CZ 3.74Å; W319-F354 AromaticContact CZ2-CE1 4Å; W319-F354 HydrophobicContact CZ2-CE1 4Å; W319-F354 HydrophobicContact CZ2-CE2 4.11Å; W319-F354 AromaticContact CZ2-CZ 3.75Å; W319-F354 HydrophobicContact CZ2-CZ 3.75Å; W319-V361 HydrophobicContact CD2-CG1 3.63Å; W319-V361 HydrophobicContact CD2-CG2 4.5Å; W319-V361 HydrophobicContact CE3-CB 4.41Å; W319-V361 HydrophobicContact CE3-CG1 3.5Å; W319-V361 VanDerWaalsContact CE3-CG1 3.5Å; W319-V361 HydrophobicContact CE3-CG2 3.99Å; W319-V361 HydrophobicContact CG-CG1 4.21Å; W319-V361 HydrophobicContact CH2-CG1 4.31Å; W319-V361 HydrophobicContact CH2-CG2 3.39Å; W319-V361 HydrophobicContact CZ2-CG1 4.4Å; W319-V361 HydrophobicContact CZ2-CG2 3.93Å; W319-V361 HydrophobicContact CZ3-CB 4.31Å; W319-V361 HydrophobicContact CZ3-CG1 3.87Å; W319-V361 HydrophobicContact CZ3-CG2 3.43Å; W319-V361 VanDerWaalsContact CZ3-CG2 3.43Å
320C88.6Confident72.1Confident21 Ų2178.5 Ų78.514%0.14242%0.416CS..EExtended strand (participates in β ladder)trans-117.5118.9165.7-86.70000110K318 P322 L362 E364K318-C320 PolarHBondContact O-N 3.39Å; C320-P322 WeakPolarHBondContact O-CD 3.43Å; C320-L362 WeakPolarHBondContact CA-O 3.29Å; C320-L362 HydrophobicContact CB-CB 4.11Å; C320-L362 WeakPolarHBondContact CB-O 3.37Å; C320-L362 PolarHBondContact N-O 2.69Å; C320-L362 PolarHBondContact O-N 3.31Å; C320-E364 VanDerWaalsContact SG-CB 3.59Å; C320-E364 PolarHBondContact SG-OE2 3.13Å
321T77.5Confident74.5Confident91 Ų9183.6 Ų83.656%0.55842%0.417SS*.  trans-62.8123.6171.7-550000109.4W319 R323W319-T321 PolarHBondContact NE1-OG1 2.87Å; W319-T321 VanDerWaalsContact NE1-OG1 3.16Å; T321-R323 PolarHBondContact O-N 2.68Å
322P67Low76.6Confident31 Ų3180.5 Ų80.520%0.20140%0.4CS..  trans-55.9133.2173.4-23.533.2000110.4C320 T324 S360C320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-T324 PolarHBondContact O-N 3.19Å; P322-S360 VanDerWaalsContact CG-O 3.29Å; P322-S360 WeakPolarHBondContact CG-O 3.49Å
323R65.3Low78.3Confident242 Ų24281.1 Ų81.191%0.91341%0.408SS*.SBendtrans-73.3-18.1-177.9-68.4-173.4176.6-162.1-0.2113T321T321-R323 PolarHBondContact O-N 2.68Å
324T57.8Low79.3Confident67 Ų6776.4 Ų76.441%0.41139%0.39SS..  trans-137.5150.5-17145.10000109.2P322 S326 E328P322-T324 PolarHBondContact O-N 3.19Å; T324-S326 VanDerWaalsContact C-N 3.31Å; T324-S326 VanDerWaalsContact CB-OG 3.23Å; T324-S326 WeakPolarHBondContact CB-OG 3.44Å; T324-S326 PolarHBondContact OG1-OG 2.72Å; T324-E328 PolarHBondContact OG1-OE1 3.17Å
325N53.7Low79.7Confident152 Ų15278.1 Ų78.181%0.81341%0.405SS*.  trans-94.114171.4-75-23.7000111.8
326S53.8Low80.2Confident68 Ų6880.3 Ų80.348%0.47641%0.413SS..SBendtrans-72.5143.1174.628.20000110.7T324 E328T324-S326 VanDerWaalsContact C-N 3.31Å; T324-S326 VanDerWaalsContact CB-OG 3.23Å; T324-S326 WeakPolarHBondContact CB-OG 3.44Å; T324-S326 PolarHBondContact OG1-OG 2.72Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 3.26Å; S326-E328 PolarHBondContact OG-OE1 3.49Å
327I58.2Low80.5Confident179 Ų17983.2 Ų83.292%0.91842%0.422SS*.  trans-74.987.7166.6-56.6172.7000106.8
328E67.9Low80.8Confident95 Ų9583.9 Ų83.944%0.44443%0.425SS..  trans-80.2125.4174.4-76.5169.2-145.200109.6T324 S326 H330T324-E328 PolarHBondContact OG1-OE1 3.17Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 3.26Å; S326-E328 PolarHBondContact OG-OE1 3.49Å; E328-H330 PolarHBondContact O-CD2 2.87Å; E328-H330 PolarHBondContact O-N 3.49Å; E328-H330 IonicContact OE2-CE1 3.86Å
329L80.9Confident81.1Confident177 Ų17780.4 Ų80.493%0.92741%0.41SS*.  trans-7790.7177-17963.5000109.2
330H85.8Confident81.3Confident64 Ų6479.7 Ų79.730%0.29641%0.408SS..  trans-75.6134.3174.9-60.7-63.4000111.3E328 C332 L390E328-H330 PolarHBondContact O-CD2 2.87Å; E328-H330 PolarHBondContact O-N 3.49Å; E328-H330 IonicContact OE2-CE1 3.86Å; H330-C332 PolarHBondContact O-N 2.84Å; H330-L390 HydrophobicContact CB-CD1 4.45Å; H330-L390 HydrophobicContact CB-CD2 3.84Å
331Y88.6Confident81.6Confident168 Ų16879.6 Ų79.666%0.65941%0.407SS*.  trans-68.3117.6170.4176-101.3000109.8T333 N391Y331-T333 HydrophobicContact CD1-CG2 4.43Å; Y331-T333 HydrophobicContact CE1-CG2 3.64Å; Y331-N391 HydrophobicContact CD1-CB 3.63Å; Y331-N391 HydrophobicContact CE1-CB 3.88Å
332C91.7Very high82.3Confident43 Ų4380.1 Ų80.129%0.29141%0.407SS..EExtended strand (participates in β ladder)trans-119.8123.7-171.3177.80000109.7H330 G334 H388 V389 L390H330-C332 PolarHBondContact O-N 2.84Å; C332-G334 PolarHBondContact SG-O 2.81Å; C332-H388 WeakPolarHBondContact CB-CE1 3.46Å; C332-H388 PolarHBondContact SG-CE1 2.87Å; C332-H388 PolarHBondContact SG-ND1 2.89Å; C332-V389 CarbonylContact C-O 3.6Å; C332-V389 VanDerWaalsContact CA-O 3.27Å; C332-V389 WeakPolarHBondContact CA-O 3.26Å; C332-L390 HydrophobicContact CB-CD2 4.39Å
333T91.7Very high83.5Confident63 Ų6380.8 Ų80.839%0.38741%0.41SS..EExtended strand (participates in β ladder)trans-88.1-18.8-179.5560000113.1E292 Y331 V389E292-T333 PolarHBondContact OE1-OG1 3.14Å; Y331-T333 HydrophobicContact CD1-CG2 4.43Å; Y331-T333 HydrophobicContact CE1-CG2 3.64Å; T333-V389 PolarHBondContact N-O 3.47Å; T333-V389 WeakPolarHBondContact OG1-CG1 3.49Å
334G94.4Very high84.8Confident15 Ų1576.4 Ų76.416%0.15540%0.404CS..EExtended strand (participates in β ladder)trans-170.8152.2171.800000112.1C332 H388 V389C332-G334 PolarHBondContact SG-O 2.81Å; G334-H388 WeakPolarHBondContact O-CA 3.45Å; G334-V389 PolarHBondContact O-N 2.93Å
335A96.5Very high86.4Confident44 Ų4475 Ų7536%0.36440%0.397SS..EExtended strand (participates in β ladder)trans-129.3124.1178.100000110F386 L387A335-F386 HydrophobicContact CB-CB 4.47Å; A335-F386 HydrophobicContact CB-CD1 4.22Å; A335-L387 WeakPolarHBondContact CA-O 3.33Å
336Y97.6Very high88.1Confident55 Ų5572.7 Ų72.722%0.21638%0.377CS..EExtended strand (participates in β ladder)trans-123.3134.8-170.9-57-84.6000110.3H286 D288 A289 F386 L387 V389H286-Y336 HydrophobicContact CB-CD1 3.87Å; D288-Y336 HydrophobicContact CB-CD1 4.48Å; D288-Y336 HydrophobicContact CB-CE1 3.56Å; D288-Y336 WeakPolarHBondContact CB-OH 3.32Å; A289-Y336 VanDerWaalsContact CA-CE2 3.49Å; A289-Y336 HydrophobicContact CB-CD2 3.57Å; A289-Y336 HydrophobicContact CB-CE2 4.01Å; A289-Y336 HydrophobicContact CB-CG 4.1Å; Y336-F386 CarbonylContact O-C 3.55Å; Y336-F386 VanDerWaalsContact O-CA 3.31Å; Y336-F386 WeakPolarHBondContact O-CA 3.4Å; Y336-L387 PolarHBondContact N-O 3.33Å; Y336-L387 PolarHBondContact O-N 2.84Å; Y336-V389 HydrophobicContact CD2-CG2 4.08Å; Y336-V389 HydrophobicContact CE2-CG2 3.72Å
337R98.1Very high89.9Confident79 Ų7970.4 Ų70.430%0.29836%0.361SS..EExtended strand (participates in β ladder)trans-64.6147.9174.2-71-177.9179.1813.1110.7D68 H285 E384 F386D68-R337 WeakPolarHBondContact O-CD 3.39Å; H285-R337 VanDerWaalsContact CB-O 3.26Å; H285-R337 WeakPolarHBondContact CB-O 3.49Å; R337-E384 IonicContact CZ-OE2 2.69Å; R337-E384 IonicContact NE-OE2 3.21Å; R337-E384 PolarHBondContact NE-OE2 3.25Å; R337-E384 IonicContact NH2-OE1 2.84Å; R337-E384 IonicContact NH2-OE2 3.5Å; R337-E384 PolarHBondContact NH2-OE2 2.81Å; R337-F386 HydrophobicContact CG-CD1 4.01Å; R337-F386 HydrophobicContact CG-CE1 3.55Å; R337-F386 HydrophobicContact CG-CZ 3.85Å
338I98.1Very high91.6Very high14 Ų1462 Ų627%0.07232%0.318CS..EExtended strand (participates in β ladder)trans-117.8152179.664.693.5000110.8L283 L284 H285 P340 L378 I385 L387L283-I338 HydrophobicContact CB-CB 4.5Å; L283-I338 HydrophobicContact CD1-CB 4.35Å; L283-I338 HydrophobicContact CD1-CD1 4.16Å; L283-I338 HydrophobicContact CD1-CG1 4.38Å; L283-I338 HydrophobicContact CD1-CG2 4.41Å; L283-I338 HydrophobicContact CD2-CD1 4.03Å; L284-I338 CarbonylContact O-C 3.51Å; L284-I338 WeakPolarHBondContact O-CA 3.38Å; H285-I338 HydrophobicContact CB-CG2 4.15Å; I338-P340 HydrophobicContact CD1-CG 4.34Å; I338-L378 HydrophobicContact CG1-CD2 4.44Å; I338-L378 HydrophobicContact CG2-CD2 4.14Å; I338-I385 HydrophobicContact CD1-CB 4.03Å; I338-I385 HydrophobicContact CD1-CG2 3.89Å; I338-I385 HydrophobicContact CG1-CB 3.85Å; I338-I385 HydrophobicContact CG1-CG2 3.6Å; I338-I385 PolarHBondContact N-O 2.93Å; I338-L387 HydrophobicContact CG2-CB 3.6Å
339S98.1Very high92.8Very high0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-129.9124.7164.7-170.30000109R64 D68 L284R64-S339 PolarHBondContact NH1-OG 2.92Å; D68-S339 WeakPolarHBondContact OD2-CB 3.33Å; D68-S339 PolarHBondContact OD2-OG 2.99Å; L284-S339 PolarHBondContact N-O 2.94Å; L284-S339 PolarHBondContact O-N 3.12Å
340P96.8Very high93.3Very high6 Ų653.8 Ų53.84%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-67.4138174.7-14.228.4000110.5R64 E282 L283 I338 T352R64-P340 PolarHBondContact NH2-O 2.94Å; E282-P340 WeakPolarHBondContact O-CA 3.47Å; L283-P340 HydrophobicContact CD2-CB 3.76Å; L283-P340 HydrophobicContact CD2-CG 3.92Å; I338-P340 HydrophobicContact CD1-CG 4.34Å; P340-T352 HydrophobicContact CG-CG2 3.77Å
341T93.4Very high93.7Very high19 Ų1950.8 Ų50.812%0.11727%0.271CS..THydrogen-bonded Turntrans-61.4-49.4175.8-58.20000110.8E282E282-T341 PolarHBondContact O-N 3.13Å; E282-T341 WeakPolarHBondContact OE2-CB 3.44Å; E282-T341 PolarHBondContact OE2-OG1 2.94Å
342D92.2Very high94Very high102 Ų10243.7 Ų43.755%0.54525%0.246SC..THydrogen-bonded Turntrans-107.969.8-179.2-64.5-52.1000110.6N344 S345 S348D342-N344 VanDerWaalsContact C-N 3.32Å; D342-N344 PolarHBondContact O-N 3.23Å; D342-S345 WeakPolarHBondContact O-CB 3.28Å; D342-S345 PolarHBondContact O-N 2.9Å; D342-S345 PolarHBondContact O-OG 2.94Å; D342-S348 WeakPolarHBondContact O-CB 3.49Å; D342-S348 PolarHBondContact O-OG 3.16Å
343V92.9Very high94.1Very high44 Ų4445.9 Ų45.927%0.26725%0.254SS..THydrogen-bonded Turntrans-54-41.6-170.466.20000114.2S345 S349V343-S345 VanDerWaalsContact C-N 3.34Å; V343-S345 PolarHBondContact O-N 3.34Å; V343-S349 PolarHBondContact O-OG 2.82Å
344N91.8Very high94.1Very high150 Ų15045.1 Ų45.180%0.80225%0.246SC*.THydrogen-bonded Turntrans-85.60.4-178.5-68.3-31000114D342D342-N344 VanDerWaalsContact C-N 3.32Å; D342-N344 PolarHBondContact O-N 3.23Å
345S92.3Very high94Very high37 Ų3744.4 Ų44.426%0.25924%0.239SC..SBendtrans-69.2144.9174.770.50000110.8D342 V343 P347 S348 S349D342-S345 WeakPolarHBondContact O-CB 3.28Å; D342-S345 PolarHBondContact O-N 2.9Å; D342-S345 PolarHBondContact O-OG 2.94Å; V343-S345 VanDerWaalsContact C-N 3.34Å; V343-S345 PolarHBondContact O-N 3.34Å; S345-P347 VanDerWaalsContact C-N 3.32Å; S345-S348 PolarHBondContact O-N 2.91Å; S345-S348 WeakPolarHBondContact OG-CB 3.28Å; S345-S348 PolarHBondContact OG-N 3.15Å; S345-S348 PolarHBondContact OG-OG 3.05Å; S345-S349 WeakPolarHBondContact O-CB 3.09Å; S345-S349 PolarHBondContact O-N 2.84Å; S345-S349 PolarHBondContact O-OG 3.2Å
346R89.5Confident93.9Very high104 Ų10446 Ų4639%0.39224%0.241SC..Hα-helixtrans-51.5-44.6177.7-175.8-158.4177.9108.30.2112.2M267 K268 E270 C350M267-R346 HydrophobicContact CE-CG 3.86Å; K268-R346 PolarHBondContact O-NH2 3.29Å; K268-R346 VanDerWaalsContact O-NH2 3.14Å; E270-R346 IonicContact OE2-CZ 3.93Å; E270-R346 IonicContact OE2-NH1 2.96Å; E270-R346 PolarHBondContact OE2-NH1 3.06Å; E270-R346 IonicContact OE2-NH2 3.16Å; E270-R346 PolarHBondContact OE2-NH2 2.82Å; R346-C350 WeakPolarHBondContact O-CB 3.5Å; R346-C350 PolarHBondContact O-N 2.77Å; R346-C350 PolarHBondContact O-SG 2.86Å; R346-C350 VanDerWaalsContact O-SG 3.34Å
347P91.7Very high93.6Very high21 Ų2149.5 Ų49.514%0.13626%0.263CS..Hα-helixtrans-62.5-49.4176.6-24.937.9000113.6M267 Y279 V281 S345 S349 C350 L351M267-P347 HydrophobicContact SD-CB 4.14Å; M267-P347 HydrophobicContact SD-CG 4.49Å; Y279-P347 HydrophobicContact CD1-CG 3.75Å; Y279-P347 HydrophobicContact CG-CB 4.31Å; Y279-P347 HydrophobicContact CG-CG 3.83Å; V281-P347 VanDerWaalsContact CG2-C 3.42Å; V281-P347 HydrophobicContact CG2-CB 3.56Å; S345-P347 VanDerWaalsContact C-N 3.32Å; P347-S349 PolarHBondContact O-N 2.83Å; P347-C350 PolarHBondContact O-N 3.4Å; P347-L351 PolarHBondContact O-N 3.01Å
348S94Very high93Very high3 Ų348.7 Ų48.72%0.02128%0.279CS..Hα-helixtrans-62-45.2179.5-630000111.4V281 D342 S345 C350 L351 T352V281-S348 WeakPolarHBondContact CG1-OG 3.47Å; D342-S348 WeakPolarHBondContact O-CB 3.49Å; D342-S348 PolarHBondContact O-OG 3.16Å; S345-S348 PolarHBondContact O-N 2.91Å; S345-S348 WeakPolarHBondContact OG-CB 3.28Å; S345-S348 PolarHBondContact OG-N 3.15Å; S345-S348 PolarHBondContact OG-OG 3.05Å; S348-C350 VanDerWaalsContact C-N 3.33Å; S348-C350 PolarHBondContact O-N 2.87Å; S348-L351 PolarHBondContact O-N 3.38Å; S348-T352 WeakPolarHBondContact O-CG2 3.44Å; S348-T352 PolarHBondContact O-N 3.42Å; S348-T352 PolarHBondContact O-OG1 2.82Å; S348-T352 VanDerWaalsContact O-OG1 3.07Å
349S93.6Very high92.5Very high38 Ų3853.2 Ų53.227%0.26630%0.295SS..Hα-helixtrans-61.4-37.7176.5-73.50000112.5V343 S345 P347 T352 N353V343-S349 PolarHBondContact O-OG 2.82Å; S345-S349 WeakPolarHBondContact O-CB 3.09Å; S345-S349 PolarHBondContact O-N 2.84Å; S345-S349 PolarHBondContact O-OG 3.2Å; P347-S349 PolarHBondContact O-N 2.83Å; S349-T352 PolarHBondContact O-OG1 2.92Å; S349-N353 VanDerWaalsContact O-CB 3.27Å; S349-N353 WeakPolarHBondContact O-CB 3.26Å; S349-N353 PolarHBondContact O-N 2.88Å; S349-N353 VanDerWaalsContact O-N 3.1Å; S349-N353 PolarHBondContact O-ND2 3.06Å
350C91.5Very high92.2Very high60 Ų6055 Ų5541%0.40531%0.308SS..Hα-helixtrans-68.7-40.9174-74.90000112.3M267 R346 P347 S348 F354M267-C350 HydrophobicContact CE-CB 3.84Å; M267-C350 VanDerWaalsContact CE-SG 3.57Å; M267-C350 HydrophobicContact SD-CB 4.12Å; R346-C350 WeakPolarHBondContact O-CB 3.5Å; R346-C350 PolarHBondContact O-N 2.77Å; R346-C350 PolarHBondContact O-SG 2.86Å; R346-C350 VanDerWaalsContact O-SG 3.34Å; P347-C350 PolarHBondContact O-N 3.4Å; S348-C350 VanDerWaalsContact C-N 3.33Å; S348-C350 PolarHBondContact O-N 2.87Å; C350-F354 VanDerWaalsContact O-CB 3.28Å; C350-F354 WeakPolarHBondContact O-CB 3.42Å; C350-F354 PolarHBondContact O-N 3.03Å
351L93.3Very high91.9Very high2 Ų254.7 Ų54.71%0.0131%0.306CS..Hα-helixtrans-63.2-51.8175.8175.364000111.9I262 I265 V281 L283 W319 P347 S348 F354 L355 L378I262-L351 HydrophobicContact CD1-CD2 4.19Å; I265-L351 HydrophobicContact CD1-CD2 4.25Å; V281-L351 HydrophobicContact CB-CD2 3.91Å; V281-L351 HydrophobicContact CG1-CD2 3.69Å; V281-L351 HydrophobicContact CG2-CB 4.48Å; V281-L351 HydrophobicContact CG2-CD2 4.31Å; L283-L351 HydrophobicContact CD1-CD2 4.45Å; L283-L351 HydrophobicContact CD2-CD2 4.44Å; W319-L351 HydrophobicContact CE3-CD1 4.18Å; W319-L351 HydrophobicContact CZ3-CD1 3.64Å; P347-L351 PolarHBondContact O-N 3.01Å; S348-L351 PolarHBondContact O-N 3.38Å; L351-F354 WeakPolarHBondContact O-CB 3.43Å; L351-F354 PolarHBondContact O-N 3.42Å; L351-L355 HydrophobicContact CD1-CD1 3.95Å; L351-L355 HydrophobicContact CD1-CG 4.48Å; L351-L355 HydrophobicContact CG-CD1 4.04Å; L351-L355 WeakPolarHBondContact O-CD1 3.34Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.93Å; L351-L355 VanDerWaalsContact O-N 3.17Å; L351-L378 HydrophobicContact CD1-CD1 4.29Å; L351-L378 HydrophobicContact CD2-CD1 4.33Å
352T95.2Very high91.9Very high19 Ų1955 Ų5512%0.11731%0.307CS..Hα-helixtrans-65-46.1-177.255.20000111.2P340 S348 S349 F354 L355 L356 I385P340-T352 HydrophobicContact CG-CG2 3.77Å; S348-T352 WeakPolarHBondContact O-CG2 3.44Å; S348-T352 PolarHBondContact O-N 3.42Å; S348-T352 PolarHBondContact O-OG1 2.82Å; S348-T352 VanDerWaalsContact O-OG1 3.07Å; S349-T352 PolarHBondContact O-OG1 2.92Å; T352-F354 VanDerWaalsContact C-N 3.3Å; T352-F354 PolarHBondContact O-N 2.89Å; T352-L355 PolarHBondContact O-N 3.16Å; T352-L355 VanDerWaalsContact O-N 3.1Å; T352-L356 WeakPolarHBondContact O-CB 3.31Å; T352-L356 VanDerWaalsContact O-CG 3.27Å; T352-L356 WeakPolarHBondContact O-CG 3.21Å; T352-L356 PolarHBondContact O-N 3.35Å; T352-I385 HydrophobicContact CG2-CD1 3.95Å
353N93.6Very high92Very high89 Ų8950.2 Ų50.248%0.47628%0.281SS..Hα-helixtrans-63.3-34.4176.3-77.3-70.7000112.6S349 L355 N357S349-N353 VanDerWaalsContact O-CB 3.27Å; S349-N353 WeakPolarHBondContact O-CB 3.26Å; S349-N353 PolarHBondContact O-N 2.88Å; S349-N353 VanDerWaalsContact O-N 3.1Å; S349-N353 PolarHBondContact O-ND2 3.06Å; N353-L355 VanDerWaalsContact C-N 3.3Å; N353-L355 PolarHBondContact O-N 3.24Å; N353-N357 WeakPolarHBondContact O-CB 3.46Å; N353-N357 PolarHBondContact O-N 3.4Å; N353-N357 VanDerWaalsContact O-N 3.14Å; N353-N357 PolarHBondContact O-ND2 2.66Å
354F91.8Very high91.8Very high46 Ų4649 Ų4920%0.20227%0.273CS..Hα-helixtrans-59.8-42.3173.3-178.6-81.8000111.6W319 C350 L351 T352 R359 V361W319-F354 AromaticContact CH2-CD1 3.73Å; W319-F354 HydrophobicContact CH2-CD1 3.73Å; W319-F354 HydrophobicContact CH2-CD2 4.11Å; W319-F354 AromaticContact CH2-CE1 3.62Å; W319-F354 HydrophobicContact CH2-CE1 3.62Å; W319-F354 AromaticContact CH2-CE2 3.98Å; W319-F354 HydrophobicContact CH2-CE2 3.98Å; W319-F354 AromaticContact CH2-CG 3.98Å; W319-F354 HydrophobicContact CH2-CG 3.98Å; W319-F354 AromaticContact CH2-CZ 3.74Å; W319-F354 HydrophobicContact CH2-CZ 3.74Å; W319-F354 AromaticContact CZ2-CE1 4Å; W319-F354 HydrophobicContact CZ2-CE1 4Å; W319-F354 HydrophobicContact CZ2-CE2 4.11Å; W319-F354 AromaticContact CZ2-CZ 3.75Å; W319-F354 HydrophobicContact CZ2-CZ 3.75Å; C350-F354 VanDerWaalsContact O-CB 3.28Å; C350-F354 WeakPolarHBondContact O-CB 3.42Å; C350-F354 PolarHBondContact O-N 3.03Å; L351-F354 WeakPolarHBondContact O-CB 3.43Å; L351-F354 PolarHBondContact O-N 3.42Å; T352-F354 VanDerWaalsContact C-N 3.3Å; T352-F354 PolarHBondContact O-N 2.89Å; F354-R359 HydrophobicContact CD1-CB 3.89Å; F354-R359 HydrophobicContact CE1-CB 3.48Å; F354-R359 VanDerWaalsContact CE1-CB 3.48Å; F354-R359 HydrophobicContact CE1-CG 4.4Å; F354-R359 VanDerWaalsContact CE2-NH1 3.25Å; F354-R359 HydrophobicContact CZ-CB 4Å; F354-R359 VanDerWaalsContact CZ-CZ 3.43Å; F354-V361 HydrophobicContact CD1-CG2 3.83Å; F354-V361 HydrophobicContact CE1-CG2 3.6Å
355L93.1Very high91.6Very high1 Ų142.5 Ų42.51%0.00524%0.237CC..Hα-helixtrans-72.3-44.6180-64.5162.8000112.3L351 T352 N353 N357 G358 R359 V361 L378 S380 I385L351-L355 HydrophobicContact CD1-CD1 3.95Å; L351-L355 HydrophobicContact CD1-CG 4.48Å; L351-L355 HydrophobicContact CG-CD1 4.04Å; L351-L355 WeakPolarHBondContact O-CD1 3.34Å; L351-L355 WeakPolarHBondContact O-CG 3.22Å; L351-L355 PolarHBondContact O-N 2.93Å; L351-L355 VanDerWaalsContact O-N 3.17Å; T352-L355 PolarHBondContact O-N 3.16Å; T352-L355 VanDerWaalsContact O-N 3.1Å; N353-L355 VanDerWaalsContact C-N 3.3Å; N353-L355 PolarHBondContact O-N 3.24Å; L355-N357 PolarHBondContact O-N 3.12Å; L355-G358 PolarHBondContact O-N 3.21Å; L355-R359 WeakPolarHBondContact CA-O 3.28Å; L355-R359 WeakPolarHBondContact CD2-O 3.23Å; L355-V361 HydrophobicContact CD2-CB 4.3Å; L355-V361 HydrophobicContact CD2-CG2 3.75Å; L355-L378 HydrophobicContact CD1-CB 3.92Å; L355-L378 HydrophobicContact CD1-CD1 3.85Å; L355-L378 HydrophobicContact CD1-CG 4.44Å; L355-L378 HydrophobicContact CD2-CB 3.65Å; L355-L378 HydrophobicContact CG-CB 4.47Å; L355-S380 WeakPolarHBondContact O-CB 3.29Å; L355-I385 HydrophobicContact CB-CD1 4.13Å; L355-I385 HydrophobicContact CB-CG1 4.45Å; L355-I385 HydrophobicContact CD1-CD1 4.21Å; L355-I385 HydrophobicContact CD1-CG2 3.85Å
356L93.5Very high90.9Very high78 Ų7842.8 Ų42.841%0.40824%0.238SC..Hα-helixtrans-62.9-25.6178.3-68.1171.4000113T352 G358 G383 I385T352-L356 WeakPolarHBondContact O-CB 3.31Å; T352-L356 VanDerWaalsContact O-CG 3.27Å; T352-L356 WeakPolarHBondContact O-CG 3.21Å; T352-L356 PolarHBondContact O-N 3.35Å; L356-G358 PolarHBondContact O-N 3.1Å; L356-G358 VanDerWaalsContact O-N 3.14Å; L356-G383 WeakPolarHBondContact CD2-O 3.24Å; L356-I385 HydrophobicContact CD2-CD1 4.33Å; L356-I385 HydrophobicContact CD2-CG1 4.15Å; L356-I385 HydrophobicContact CG-CD1 4.24Å
357N91.1Very high90.1Very high128 Ų12843.5 Ų43.568%0.68424%0.241SC*.THydrogen-bonded Turntrans-7310.1170.2-78.8-60.4000113.9N353 L355N353-N357 WeakPolarHBondContact O-CB 3.46Å; N353-N357 PolarHBondContact O-N 3.4Å; N353-N357 VanDerWaalsContact O-N 3.14Å; N353-N357 PolarHBondContact O-ND2 2.66Å; L355-N357 PolarHBondContact O-N 3.12Å
358G86.3Confident88.8Confident62 Ų6252.1 Ų52.164%0.63928%0.276SS*.THydrogen-bonded Turntrans82.117.4174.600000114.8L355 L356L355-G358 PolarHBondContact O-N 3.21Å; L356-G358 PolarHBondContact O-N 3.1Å; L356-G358 VanDerWaalsContact O-N 3.14Å
359R87.4Confident87.3Confident109 Ų10956.9 Ų56.941%0.41131%0.309SS..  trans-97.9144.6173.1-57-172.971.4-179.80.4110F354 L355F354-R359 HydrophobicContact CD1-CB 3.89Å; F354-R359 HydrophobicContact CE1-CB 3.48Å; F354-R359 VanDerWaalsContact CE1-CB 3.48Å; F354-R359 HydrophobicContact CE1-CG 4.4Å; F354-R359 VanDerWaalsContact CE2-NH1 3.25Å; F354-R359 HydrophobicContact CZ-CB 4Å; F354-R359 VanDerWaalsContact CZ-CZ 3.43Å; L355-R359 WeakPolarHBondContact CA-O 3.28Å; L355-R359 WeakPolarHBondContact CD2-O 3.23Å
360S90.9Very high86Confident37 Ų3758.7 Ų58.726%0.25934%0.335SS..  trans-100.5160.1172-46.80000110.9P322 L378 S379P322-S360 VanDerWaalsContact CG-O 3.29Å; P322-S360 WeakPolarHBondContact CG-O 3.49Å; S360-L378 CarbonylContact C-O 3.53Å; S360-L378 WeakPolarHBondContact CA-O 3.39Å; S360-L378 WeakPolarHBondContact CB-O 3.42Å; S360-S379 PolarHBondContact OG-OG 2.92Å
361V91.8Very high85.3Confident0 Ų060.6 Ų60.60%035%0.348CS..EExtended strand (participates in β ladder)trans-127.5124.7177.4176.90000108.4W319 F354 L355 L363 M377 L378W319-V361 HydrophobicContact CD2-CG1 3.63Å; W319-V361 HydrophobicContact CD2-CG2 4.5Å; W319-V361 HydrophobicContact CE3-CB 4.41Å; W319-V361 HydrophobicContact CE3-CG1 3.5Å; W319-V361 VanDerWaalsContact CE3-CG1 3.5Å; W319-V361 HydrophobicContact CE3-CG2 3.99Å; W319-V361 HydrophobicContact CG-CG1 4.21Å; W319-V361 HydrophobicContact CH2-CG1 4.31Å; W319-V361 HydrophobicContact CH2-CG2 3.39Å; W319-V361 HydrophobicContact CZ2-CG1 4.4Å; W319-V361 HydrophobicContact CZ2-CG2 3.93Å; W319-V361 HydrophobicContact CZ3-CB 4.31Å; W319-V361 HydrophobicContact CZ3-CG1 3.87Å; W319-V361 HydrophobicContact CZ3-CG2 3.43Å; W319-V361 VanDerWaalsContact CZ3-CG2 3.43Å; F354-V361 HydrophobicContact CD1-CG2 3.83Å; F354-V361 HydrophobicContact CE1-CG2 3.6Å; L355-V361 HydrophobicContact CD2-CB 4.3Å; L355-V361 HydrophobicContact CD2-CG2 3.75Å; V361-L363 HydrophobicContact CG1-CD2 4.01Å; V361-M377 CarbonylContact O-C 3.58Å; V361-M377 VanDerWaalsContact O-CA 3.23Å; V361-M377 WeakPolarHBondContact O-CA 3.26Å; V361-M377 WeakPolarHBondContact O-CG 3.44Å; V361-L378 HydrophobicContact CB-CB 4.39Å; V361-L378 PolarHBondContact N-O 2.9Å; V361-L378 PolarHBondContact O-N 2.78Å
362L92.8Very high84.8Confident26 Ų2666.9 Ų66.914%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-85.2144.1173.8-61.8176.5000109.4C320 I374 M377 L390C320-L362 WeakPolarHBondContact CA-O 3.29Å; C320-L362 HydrophobicContact CB-CB 4.11Å; C320-L362 WeakPolarHBondContact CB-O 3.37Å; C320-L362 PolarHBondContact N-O 2.69Å; C320-L362 PolarHBondContact O-N 3.31Å; L362-I374 HydrophobicContact CB-CD1 4.29Å; L362-I374 HydrophobicContact CB-CG2 4.02Å; L362-I374 HydrophobicContact CD1-CD1 3.98Å; L362-I374 HydrophobicContact CD2-CG2 4.3Å; L362-M377 HydrophobicContact CD2-CB 4.01Å; L362-M377 HydrophobicContact CD2-CG 4.02Å; L362-M377 HydrophobicContact CD2-SD 4.09Å; L362-L390 HydrophobicContact CD2-CD1 4.34Å
363L93.4Very high84.4Confident0 Ų067 Ų670%038%0.376CS..EExtended strand (participates in β ladder)trans-121.9117.3-174.5-63.6179.6000111.1I262 L317 K318 V361 I374 S375 H376 L378 L387I262-L363 HydrophobicContact CD1-CD1 4Å; I262-L363 HydrophobicContact CD1-CD2 4.12Å; I262-L363 HydrophobicContact CG1-CD1 4.35Å; I262-L363 HydrophobicContact CG1-CD2 4.21Å; I262-L363 HydrophobicContact CG2-CD2 3.88Å; L317-L363 HydrophobicContact CB-CB 4.2Å; L317-L363 HydrophobicContact CD1-CB 4.06Å; L317-L363 HydrophobicContact CD1-CD1 3.95Å; K318-L363 WeakPolarHBondContact O-CA 3.22Å; V361-L363 HydrophobicContact CG1-CD2 4.01Å; L363-I374 WeakPolarHBondContact O-CA 3.47Å; L363-S375 PolarHBondContact O-N 3.25Å; L363-H376 HydrophobicContact CB-CB 3.91Å; L363-H376 WeakPolarHBondContact CB-O 3Å; L363-H376 HydrophobicContact CD1-CB 3.97Å; L363-H376 HydrophobicContact CG-CB 4.45Å; L363-H376 PolarHBondContact N-O 3.1Å; L363-L378 HydrophobicContact CD1-CG 4.21Å; L363-L387 HydrophobicContact CD1-CD1 3.88Å
364E90.2Very high84.2Confident20 Ų2066 Ų669%0.09337%0.37CS..EExtended strand (participates in β ladder)trans-89.9134.3-179.4170.1179.5-156.400110.7K318 C320 K372 V373K318-E364 HydrophobicContact CB-CB 4.25Å; K318-E364 PolarHBondContact N-O 3.12Å; K318-E364 PolarHBondContact O-N 2.96Å; C320-E364 VanDerWaalsContact SG-CB 3.59Å; C320-E364 PolarHBondContact SG-OE2 3.13Å; E364-K372 WeakPolarHBondContact OE1-CB 3.42Å; E364-K372 WeakPolarHBondContact OE1-CD 3.23Å; E364-K372 WeakPolarHBondContact OE1-CE 3.3Å; E364-K372 WeakPolarHBondContact OE1-CG 3.5Å; E364-K372 IonicContact OE1-NZ 3.41Å; E364-K372 PolarHBondContact OE1-NZ 3.4Å; E364-K372 IonicContact OE2-NZ 2.76Å; E364-K372 PolarHBondContact OE2-NZ 3.5Å; E364-V373 WeakPolarHBondContact CA-O 3.4Å
365Q86.1Confident84.2Confident12 Ų1263.9 Ų63.96%0.05636%0.361CS..EExtended strand (participates in β ladder)trans-71.8127.3168.3-63.2174.1-1.100109.5F293 L317 R367 V373 S375F293-Q365 HydrophobicContact CE1-CG 4.02Å; F293-Q365 HydrophobicContact CZ-CG 4.13Å; L317-Q365 HydrophobicContact CD2-CG 4.36Å; Q365-R367 PolarHBondContact O-N 3.05Å; Q365-V373 HydrophobicContact CG-CG1 4.43Å; Q365-V373 PolarHBondContact N-O 2.84Å; Q365-S375 WeakPolarHBondContact CG-OG 3.47Å; Q365-S375 PolarHBondContact NE2-OG 2.96Å
366P78.1Confident84.2Confident44 Ų4464 Ų6429%0.28636%0.362SS..PPolyproline II helixtrans-62.1123.8169-18.131.1000109.8T316T316-P366 HydrophobicContact CG2-CG 4.29Å; T316-P366 WeakPolarHBondContact O-CD 3.44Å; T316-P366 VanDerWaalsContact O-CG 3.26Å; T316-P366 WeakPolarHBondContact O-CG 3.32Å
367R74.1Confident84.3Confident119 Ų11961.3 Ų61.345%0.44935%0.347SS..  trans-128.5142173.8-66.9-172.8175.1-140.2-5.8109.9Q365 S369Q365-R367 PolarHBondContact O-N 3.05Å; R367-S369 VanDerWaalsContact C-N 3.28Å; R367-S369 PolarHBondContact O-N 3.36Å
368K62.5Low84.5Confident201 Ų20155.2 Ų55.287%0.87432%0.315SS*.SBendtrans-69.3-26.8178.8-66.1179.7-178.7173.30112.7
369S62.4Low84.9Confident103 Ų10352.9 Ų52.972%0.7229%0.289SS*.SBendtrans-158.6161.2175.756.10000110.4R367R367-S369 VanDerWaalsContact C-N 3.28Å; R367-S369 PolarHBondContact O-N 3.36Å
370G68.1Low85.3Confident77 Ų7748.7 Ų48.779%0.79428%0.276SS*.SBendtrans109.6-175.7178.400000114.4
371S76.1Confident85.4Confident99 Ų9951.1 Ų51.169%0.69228%0.283SS*.SBendtrans-70.7155.917349.30000111.5V373S371-V373 PolarHBondContact O-N 3.02Å
372K82.7Confident85.2Confident135 Ų13555.7 Ų55.759%0.58733%0.33SS*.  trans-64.5131175-59.9-171.4153.6-105.40110.1E364E364-K372 WeakPolarHBondContact OE1-CB 3.42Å; E364-K372 WeakPolarHBondContact OE1-CD 3.23Å; E364-K372 WeakPolarHBondContact OE1-CE 3.3Å; E364-K372 WeakPolarHBondContact OE1-CG 3.5Å; E364-K372 IonicContact OE1-NZ 3.41Å; E364-K372 PolarHBondContact OE1-NZ 3.4Å; E364-K372 IonicContact OE2-NZ 2.76Å; E364-K372 PolarHBondContact OE2-NZ 3.5Å
373V86.9Confident85.1Confident20 Ų2056.8 Ų56.812%0.12135%0.348CS..EExtended strand (participates in β ladder)trans-114.1107.2177.3179.40000109.4E364 Q365 S371 S392E364-V373 WeakPolarHBondContact CA-O 3.4Å; Q365-V373 HydrophobicContact CG-CG1 4.43Å; Q365-V373 PolarHBondContact N-O 2.84Å; S371-V373 PolarHBondContact O-N 3.02Å; V373-S392 VanDerWaalsContact CG1-CB 3.46Å
374I90.1Very high85.2Confident68 Ų6860.9 Ų60.935%0.34937%0.367SS..EExtended strand (participates in β ladder)trans-82129.1168.4-56.9177.9000106.9L362 L363 L390L362-I374 HydrophobicContact CB-CD1 4.29Å; L362-I374 HydrophobicContact CB-CG2 4.02Å; L362-I374 HydrophobicContact CD1-CD1 3.98Å; L362-I374 HydrophobicContact CD2-CG2 4.3Å; L363-I374 WeakPolarHBondContact O-CA 3.47Å; I374-L390 HydrophobicContact CG2-CD1 4.17Å
375S91.1Very high85.6Confident3 Ų361 Ų612%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-130.8-17.9-176.3620000113.8L363 Q365 L390L363-S375 PolarHBondContact O-N 3.25Å; Q365-S375 WeakPolarHBondContact CG-OG 3.47Å; Q365-S375 PolarHBondContact NE2-OG 2.96Å; S375-L390 PolarHBondContact O-N 2.61Å
376H93.9Very high86.1Confident4 Ų461.7 Ų61.72%0.01937%0.371CS..EExtended strand (participates in β ladder)trans-139.1159.9-178.7-6974.1000110.6A289 H290 F293 L317 L363 L387 H388A289-H376 PolarHBondContact O-NE2 2.87Å; A289-H376 VanDerWaalsContact O-NE2 3.08Å; H290-H376 AromaticContact CE1-CE1 3.55Å; H290-H376 AromaticContact CE1-NE2 3.15Å; H290-H376 PolarHBondContact CE1-NE2 2.94Å; F293-H376 AromaticContact CE2-CE1 3.35Å; F293-H376 WeakPolarHBondContact CE2-CE1 3.26Å; F293-H376 AromaticContact CZ-CE1 3.83Å; L317-H376 HydrophobicContact CD1-CB 4.05Å; L363-H376 HydrophobicContact CB-CB 3.91Å; L363-H376 WeakPolarHBondContact CB-O 3Å; L363-H376 HydrophobicContact CD1-CB 3.97Å; L363-H376 HydrophobicContact CG-CB 4.45Å; L363-H376 PolarHBondContact N-O 3.1Å; H376-L387 HydrophobicContact CB-CD1 3.81Å; H376-H388 CarbonylContact C-O 3.59Å; H376-H388 WeakPolarHBondContact CA-O 3.36Å
377M94.7Very high87.1Confident20 Ų2059.7 Ų59.710%0.09936%0.358CS..EExtended strand (participates in β ladder)trans-139.2132.7170.5174.2-179.16900109.8V361 L362 H388 L390V361-M377 CarbonylContact O-C 3.58Å; V361-M377 VanDerWaalsContact O-CA 3.23Å; V361-M377 WeakPolarHBondContact O-CA 3.26Å; V361-M377 WeakPolarHBondContact O-CG 3.44Å; L362-M377 HydrophobicContact CD2-CB 4.01Å; L362-M377 HydrophobicContact CD2-CG 4.02Å; L362-M377 HydrophobicContact CD2-SD 4.09Å; M377-H388 HydrophobicContact CB-CB 4.26Å; M377-H388 HydrophobicContact CE-CB 4.25Å; M377-H388 PolarHBondContact N-O 2.82Å; M377-H388 WeakPolarHBondContact O-CB 3.48Å; M377-H388 PolarHBondContact O-N 3.15Å; M377-L390 HydrophobicContact CB-CD1 4Å; M377-L390 HydrophobicContact CB-CG 4.38Å
378L95.7Very high88.1Confident0 Ų055.7 Ų55.70%034%0.344CS..EExtended strand (participates in β ladder)trans-88.2134.4162.9-74.1175000109.8I262 L283 I338 L351 L355 S360 V361 L363 I385 F386 L387I262-L378 HydrophobicContact CD1-CD1 3.31Å; I262-L378 HydrophobicContact CD1-CG 4.27Å; L283-L378 HydrophobicContact CD1-CD1 3.79Å; L283-L378 HydrophobicContact CD1-CD2 4.05Å; I338-L378 HydrophobicContact CG1-CD2 4.44Å; I338-L378 HydrophobicContact CG2-CD2 4.14Å; L351-L378 HydrophobicContact CD1-CD1 4.29Å; L351-L378 HydrophobicContact CD2-CD1 4.33Å; L355-L378 HydrophobicContact CD1-CB 3.92Å; L355-L378 HydrophobicContact CD1-CD1 3.85Å; L355-L378 HydrophobicContact CD1-CG 4.44Å; L355-L378 HydrophobicContact CD2-CB 3.65Å; L355-L378 HydrophobicContact CG-CB 4.47Å; S360-L378 CarbonylContact C-O 3.53Å; S360-L378 WeakPolarHBondContact CA-O 3.39Å; S360-L378 WeakPolarHBondContact CB-O 3.42Å; V361-L378 HydrophobicContact CB-CB 4.39Å; V361-L378 PolarHBondContact N-O 2.9Å; V361-L378 PolarHBondContact O-N 2.78Å; L363-L378 HydrophobicContact CD1-CG 4.21Å; L378-I385 HydrophobicContact CD2-CG2 4.23Å; L378-F386 WeakPolarHBondContact CA-O 3.45Å; L378-L387 HydrophobicContact CD2-CB 4.05Å; L378-L387 HydrophobicContact CD2-CD1 3.99Å; L378-L387 HydrophobicContact CG-CD1 4.36Å
379S94.5Very high89.6Confident14 Ų1446.4 Ų46.410%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-149.4145.3175.4-162.20000111S360 F386S360-S379 PolarHBondContact OG-OG 2.92Å; S379-F386 PolarHBondContact N-O 2.79Å; S379-F386 PolarHBondContact O-N 3.05Å
380S94.8Very high91Very high21 Ų2142.1 Ų42.115%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-91.8139172.1-174.40000111.7L355 E384L355-S380 WeakPolarHBondContact O-CB 3.29Å; S380-E384 CarbonylContact C-O 3.53Å; S380-E384 WeakPolarHBondContact CA-O 3.47Å; S380-E384 PolarHBondContact OG-O 3.29Å
381H93.1Very high91.8Very high88 Ų8841.3 Ų41.341%0.40725%0.25SS..EExtended strand (participates in β ladder)trans-129105175.7-63.4-89.7000108.2G383 E384 F386 H388H381-G383 PolarHBondContact O-N 3.4Å; H381-E384 PolarHBondContact N-O 2.97Å; H381-E384 PolarHBondContact O-N 2.86Å; H381-E384 VanDerWaalsContact O-N 3.13Å; H381-F386 HydrophobicContact CB-CD2 4.18Å; H381-F386 HydrophobicContact CB-CE2 4.08Å; H381-F386 AromaticContact CD2-CD2 3.68Å; H381-H388 AromaticContact CE1-NE2 3.55Å; H381-H388 AromaticContact NE2-NE2 3.15Å; H381-H388 PolarHBondContact NE2-NE2 3.16Å; H381-H388 VanDerWaalsContact NE2-NE2 3.15Å
382G87.3Confident91.9Very high96 Ų9638.5 Ų38.599%0.9923%0.231SC*.THydrogen-bonded Turntrans65.816.7177.700000115.9
383G91.8Very high91.8Very high49 Ų4937.2 Ų37.251%0.50523%0.23SC..THydrogen-bonded Turntrans102.4-12.3-174.700000114.2L356 H381L356-G383 WeakPolarHBondContact CD2-O 3.24Å; H381-G383 PolarHBondContact O-N 3.4Å
384E95.5Very high91.5Very high86 Ų8645.5 Ų45.540%0.40226%0.26SS..EExtended strand (participates in β ladder)trans-89.3144.2170.8-64.7177.1-153.200110R337 S380 H381 F386R337-E384 IonicContact CZ-OE2 2.69Å; R337-E384 IonicContact NE-OE2 3.21Å; R337-E384 PolarHBondContact NE-OE2 3.25Å; R337-E384 IonicContact NH2-OE1 2.84Å; R337-E384 IonicContact NH2-OE2 3.5Å; R337-E384 PolarHBondContact NH2-OE2 2.81Å; S380-E384 CarbonylContact C-O 3.53Å; S380-E384 WeakPolarHBondContact CA-O 3.47Å; S380-E384 PolarHBondContact OG-O 3.29Å; H381-E384 PolarHBondContact N-O 2.97Å; H381-E384 PolarHBondContact O-N 2.86Å; H381-E384 VanDerWaalsContact O-N 3.13Å; E384-F386 HydrophobicContact CB-CD2 4.37Å; E384-F386 HydrophobicContact CB-CE2 3.64Å; E384-F386 HydrophobicContact CB-CZ 4.37Å; E384-F386 WeakPolarHBondContact OE2-CZ 3.21Å
385I97.6Very high91.2Very high21 Ų2144.9 Ų44.911%0.10826%0.261CS..EExtended strand (participates in β ladder)trans-106.8130.9179.9-55.9175.8000109.9I338 T352 L355 L356 L378I338-I385 HydrophobicContact CD1-CB 4.03Å; I338-I385 HydrophobicContact CD1-CG2 3.89Å; I338-I385 HydrophobicContact CG1-CB 3.85Å; I338-I385 HydrophobicContact CG1-CG2 3.6Å; I338-I385 PolarHBondContact N-O 2.93Å; T352-I385 HydrophobicContact CG2-CD1 3.95Å; L355-I385 HydrophobicContact CB-CD1 4.13Å; L355-I385 HydrophobicContact CB-CG1 4.45Å; L355-I385 HydrophobicContact CD1-CD1 4.21Å; L355-I385 HydrophobicContact CD1-CG2 3.85Å; L356-I385 HydrophobicContact CD2-CD1 4.33Å; L356-I385 HydrophobicContact CD2-CG1 4.15Å; L356-I385 HydrophobicContact CG-CD1 4.24Å; L378-I385 HydrophobicContact CD2-CG2 4.23Å
386F97.9Very high91.1Very high28 Ų2851.4 Ų51.412%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-121.2139.4179.9-67.4-101.5000111.9A335 Y336 R337 L378 S379 H381 E384A335-F386 HydrophobicContact CB-CB 4.47Å; A335-F386 HydrophobicContact CB-CD1 4.22Å; Y336-F386 CarbonylContact O-C 3.55Å; Y336-F386 VanDerWaalsContact O-CA 3.31Å; Y336-F386 WeakPolarHBondContact O-CA 3.4Å; R337-F386 HydrophobicContact CG-CD1 4.01Å; R337-F386 HydrophobicContact CG-CE1 3.55Å; R337-F386 HydrophobicContact CG-CZ 3.85Å; L378-F386 WeakPolarHBondContact CA-O 3.45Å; S379-F386 PolarHBondContact N-O 2.79Å; S379-F386 PolarHBondContact O-N 3.05Å; H381-F386 HydrophobicContact CB-CD2 4.18Å; H381-F386 HydrophobicContact CB-CE2 4.08Å; H381-F386 AromaticContact CD2-CD2 3.68Å; E384-F386 HydrophobicContact CB-CD2 4.37Å; E384-F386 HydrophobicContact CB-CE2 3.64Å; E384-F386 HydrophobicContact CB-CZ 4.37Å; E384-F386 WeakPolarHBondContact OE2-CZ 3.21Å
387L97.6Very high90.9Very high2 Ų257.8 Ų57.81%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-88.7107.6162.5-17865.1000108.7A289 A335 Y336 I338 L363 H376 L378A289-L387 HydrophobicContact CB-CD2 3.95Å; A335-L387 WeakPolarHBondContact CA-O 3.33Å; Y336-L387 PolarHBondContact N-O 3.33Å; Y336-L387 PolarHBondContact O-N 2.84Å; I338-L387 HydrophobicContact CG2-CB 3.6Å; L363-L387 HydrophobicContact CD1-CD1 3.88Å; H376-L387 HydrophobicContact CB-CD1 3.81Å; L378-L387 HydrophobicContact CD2-CB 4.05Å; L378-L387 HydrophobicContact CD2-CD1 3.99Å; L378-L387 HydrophobicContact CG-CD1 4.36Å
388H95.7Very high90.5Very high35 Ų3561.7 Ų61.716%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-86.1131.3173.9-66.7-100000109.8C332 G334 H376 M377 H381 L390C332-H388 WeakPolarHBondContact CB-CE1 3.46Å; C332-H388 PolarHBondContact SG-CE1 2.87Å; C332-H388 PolarHBondContact SG-ND1 2.89Å; G334-H388 WeakPolarHBondContact O-CA 3.45Å; H376-H388 CarbonylContact C-O 3.59Å; H376-H388 WeakPolarHBondContact CA-O 3.36Å; M377-H388 HydrophobicContact CB-CB 4.26Å; M377-H388 HydrophobicContact CE-CB 4.25Å; M377-H388 PolarHBondContact N-O 2.82Å; M377-H388 WeakPolarHBondContact O-CB 3.48Å; M377-H388 PolarHBondContact O-N 3.15Å; H381-H388 AromaticContact CE1-NE2 3.55Å; H381-H388 AromaticContact NE2-NE2 3.15Å; H381-H388 PolarHBondContact NE2-NE2 3.16Å; H381-H388 VanDerWaalsContact NE2-NE2 3.15Å; H388-L390 HydrophobicContact CB-CD2 4.31Å
389V94.7Very high90.3Very high6 Ų668.7 Ų68.74%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-88.4121.4169.9-172.90000108A289 C332 T333 G334 Y336A289-V389 HydrophobicContact CB-CG2 4.21Å; A289-V389 WeakPolarHBondContact O-CG2 3.44Å; C332-V389 CarbonylContact C-O 3.6Å; C332-V389 VanDerWaalsContact CA-O 3.27Å; C332-V389 WeakPolarHBondContact CA-O 3.26Å; T333-V389 PolarHBondContact N-O 3.47Å; T333-V389 WeakPolarHBondContact OG1-CG1 3.49Å; G334-V389 PolarHBondContact O-N 2.93Å; Y336-V389 HydrophobicContact CD2-CG2 4.08Å; Y336-V389 HydrophobicContact CE2-CG2 3.72Å
390L91.2Very high90.2Very high13 Ų1372.5 Ų72.57%0.06841%0.414CS..EExtended strand (participates in β ladder)trans-106.3141.3-179.7-54.9-173.7000109.7H330 C332 L362 I374 S375 M377 H388 S392H330-L390 HydrophobicContact CB-CD1 4.45Å; H330-L390 HydrophobicContact CB-CD2 3.84Å; C332-L390 HydrophobicContact CB-CD2 4.39Å; L362-L390 HydrophobicContact CD2-CD1 4.34Å; I374-L390 HydrophobicContact CG2-CD1 4.17Å; S375-L390 PolarHBondContact O-N 2.61Å; M377-L390 HydrophobicContact CB-CD1 4Å; M377-L390 HydrophobicContact CB-CG 4.38Å; H388-L390 HydrophobicContact CB-CD2 4.31Å; L390-S392 PolarHBondContact O-N 3.39Å
391N84.7Confident90.1Very high59 Ų5977.2 Ų77.232%0.31645%0.445SS..  trans-66.9109.8174.7-178.919.8000110.5Y331 N393Y331-N391 HydrophobicContact CD1-CB 3.63Å; Y331-N391 HydrophobicContact CE1-CB 3.88Å; N391-N393 WeakPolarHBondContact OD1-CB 3.5Å; N391-N393 PolarHBondContact OD1-N 2.83Å
392S79.3Confident90.1Very high41 Ų4175.5 Ų75.529%0.28744%0.443SS..  trans-84.7-9.2174.653.40000114.1V373 L390V373-S392 VanDerWaalsContact CG1-CB 3.46Å; L390-S392 PolarHBondContact O-N 3.39Å
393N80.3Confident90.5Very high107 Ų10778 Ų7857%0.57243%0.432SS*.SBendtrans-88159.6-176.9-60-38.9000111.2N391 S395N391-N393 WeakPolarHBondContact OD1-CB 3.5Å; N391-N393 PolarHBondContact OD1-N 2.83Å; N393-S395 PolarHBondContact O-N 3.4Å
394R80.6Confident90.6Very high195 Ų19578.4 Ų78.474%0.73643%0.427SS*.PPolyproline II helixtrans-54.1128.9173-162.8-176.6-174.4-163-2.1109.6E398R394-E398 WeakPolarHBondContact CG-OE2 3.17Å; R394-E398 IonicContact CZ-OE1 3.63Å; R394-E398 IonicContact CZ-OE2 2.69Å; R394-E398 VanDerWaalsContact NE-CD 3.25Å; R394-E398 IonicContact NE-OE1 3.75Å; R394-E398 PolarHBondContact NE-OE1 2.9Å; R394-E398 VanDerWaalsContact NE-OE1 3.15Å; R394-E398 IonicContact NE-OE2 2.61Å; R394-E398 PolarHBondContact NE-OE2 3.37Å; R394-E398 IonicContact NH2-OE1 2.8Å; R394-E398 PolarHBondContact NH2-OE1 3.27Å; R394-E398 IonicContact NH2-OE2 3.9Å
395S84.3Confident90.5Very high55 Ų5581.4 Ų81.439%0.38544%0.441SS..PPolyproline II helixtrans-68.3135.3179-174.30000110.1N393 L397 E398N393-S395 PolarHBondContact O-N 3.4Å; S395-L397 PolarHBondContact O-N 3.3Å; S395-L397 PolarHBondContact OG-N 2.92Å; S395-E398 WeakPolarHBondContact O-CB 3.41Å; S395-E398 PolarHBondContact O-N 2.87Å
396T88.7Confident90.3Very high140 Ų14082.4 Ų82.486%0.85946%0.456SS*.THydrogen-bonded Turntrans-70.4-6.6166.853.80000112.7
397L88.1Confident90.1Very high138 Ų13888 Ų8872%0.72350%0.497SS*.THydrogen-bonded Turntrans-110.317.4174.6-50.8177.5000111.8S395S395-L397 PolarHBondContact O-N 3.3Å; S395-L397 PolarHBondContact OG-N 2.92Å
398E87.9Confident89.8Confident101 Ų10189.4 Ų89.447%0.47251%0.512SS..SBendtrans-67.3145.1165-169-175.7129.500109.5R394 S395R394-E398 WeakPolarHBondContact CG-OE2 3.17Å; R394-E398 IonicContact CZ-OE1 3.63Å; R394-E398 IonicContact CZ-OE2 2.69Å; R394-E398 VanDerWaalsContact NE-CD 3.25Å; R394-E398 IonicContact NE-OE1 3.75Å; R394-E398 PolarHBondContact NE-OE1 2.9Å; R394-E398 VanDerWaalsContact NE-OE1 3.15Å; R394-E398 IonicContact NE-OE2 2.61Å; R394-E398 PolarHBondContact NE-OE2 3.37Å; R394-E398 IonicContact NH2-OE1 2.8Å; R394-E398 PolarHBondContact NH2-OE1 3.27Å; R394-E398 IonicContact NH2-OE2 3.9Å; S395-E398 WeakPolarHBondContact O-CB 3.41Å; S395-E398 PolarHBondContact O-N 2.87Å
399D89.9Confident89.7Confident148 Ų14888.6 Ų88.679%0.79151%0.514SS*.SBendtrans54.460.4-176.4-158.333.2000113.8
400P92.8Very high89.6Confident93 Ų9398.2 Ų98.260%0.60455%0.549SS*.PPolyproline II helixtrans-66.4149.2178.130.2-35.7000111.2S402P400-S402 PolarHBondContact O-N 3.3Å
401P93.2Very high89.7Confident121 Ų121100.1 Ų100.179%0.78656%0.561SS**PPolyproline II helixtrans-52.4137.8177.5-2734.6000112.7I403P401-I403 PolarHBondContact O-N 3.03Å
402S93.8Very high90.1Very high52 Ų52104 Ų10436%0.36459%0.587SS.*PPolyproline II helixtrans-61.1129-177.5-178.90000111.6P400 S404 E405 G406P400-S402 PolarHBondContact O-N 3.3Å; S402-S404 PolarHBondContact O-N 3.09Å; S402-S404 VanDerWaalsContact O-N 3.16Å; S402-S404 PolarHBondContact OG-N 2.9Å; S402-S404 PolarHBondContact OG-OG 3.39Å; S402-E405 PolarHBondContact O-N 3.06Å; S402-G406 PolarHBondContact O-N 2.95Å
403I94.6Very high90.8Very high149 Ų149103.8 Ų103.876%0.76458%0.583SS**THydrogen-bonded Turntrans-56.3-33176-59-61000111.2P401 E405 G406 G409P401-I403 PolarHBondContact O-N 3.03Å; I403-E405 VanDerWaalsContact C-N 3.26Å; I403-E405 PolarHBondContact O-N 2.92Å; I403-G406 PolarHBondContact O-N 2.9Å; I403-G409 WeakPolarHBondContact O-CA 3.11Å
404S93.5Very high91.6Very high57 Ų57103.1 Ų103.140%0.39957%0.573SS.*THydrogen-bonded Turntrans-72.5-16.2179.862.50000114.6S402 G409 R410S402-S404 PolarHBondContact O-N 3.09Å; S402-S404 VanDerWaalsContact O-N 3.16Å; S402-S404 PolarHBondContact OG-N 2.9Å; S402-S404 PolarHBondContact OG-OG 3.39Å; S404-G409 WeakPolarHBondContact CA-O 3.43Å; S404-G409 CarbonylContact O-C 3.4Å; S404-R410 PolarHBondContact O-NE 3.08Å
405E93.4Very high92.3Very high149 Ų14994.5 Ų94.570%0.69654%0.54SS*.THydrogen-bonded Turntrans-101.2-21.1179.4-61.6179.5159.700112S402 I403S402-E405 PolarHBondContact O-N 3.06Å; I403-E405 VanDerWaalsContact C-N 3.26Å; I403-E405 PolarHBondContact O-N 2.92Å
406G93.4Very high92.9Very high42 Ų4298 Ų9843%0.43355%0.554SS.*SBendtrans-74.5-177.7175.800000115S402 I403 G408 G409S402-G406 PolarHBondContact O-N 2.95Å; I403-G406 PolarHBondContact O-N 2.9Å; G406-G408 PolarHBondContact O-N 3.15Å; G406-G409 PolarHBondContact O-N 3.47Å
407C94.3Very high93.3Very high144 Ų14496.5 Ų96.597%0.97354%0.544SS*.THydrogen-bonded Turntrans-59.2121.5177.3-66.90000110.8G409C407-G409 VanDerWaalsContact C-N 3.29Å; C407-G409 PolarHBondContact O-N 2.82Å
408G91.6Very high93.6Very high32 Ų3292.6 Ų92.633%0.3352%0.524SS..THydrogen-bonded Turntrans82.1-4.7-176.400000115.1G406 R410 V411 Y414G406-G408 PolarHBondContact O-N 3.15Å; G408-R410 PolarHBondContact O-N 2.7Å; G408-V411 VanDerWaalsContact O-CB 3.29Å; G408-V411 WeakPolarHBondContact O-CB 3.23Å; G408-V411 PolarHBondContact O-N 3.47Å; G408-Y414 WeakPolarHBondContact CA-OH 3.35Å; G408-Y414 PolarHBondContact O-OH 3.44Å
409G92.5Very high94Very high19 Ų1992 Ų9220%0.19652%0.52CS..THydrogen-bonded Turntrans-61.4-15.1-176.900000116.7I403 S404 G406 C407I403-G409 WeakPolarHBondContact O-CA 3.11Å; S404-G409 WeakPolarHBondContact CA-O 3.43Å; S404-G409 CarbonylContact O-C 3.4Å; G406-G409 PolarHBondContact O-N 3.47Å; C407-G409 VanDerWaalsContact C-N 3.29Å; C407-G409 PolarHBondContact O-N 2.82Å
410R93.9Very high94.4Very high208 Ų20886.7 Ų86.779%0.78550%0.5SS*.THydrogen-bonded Turntrans-94.5-4.1175.7-57.3-59.1-178.1163.6-3113.9S404 G408S404-R410 PolarHBondContact O-NE 3.08Å; G408-R410 PolarHBondContact O-N 2.7Å
411V93.4Very high94.5Very high52 Ų5286.3 Ų86.332%0.31549%0.49SS..  trans-79.6124.8173.8172.80000108.5G408 Y414 I461G408-V411 VanDerWaalsContact O-CB 3.29Å; G408-V411 WeakPolarHBondContact O-CB 3.23Å; G408-V411 PolarHBondContact O-N 3.47Å; V411-Y414 HydrophobicContact CB-CD2 4.18Å; V411-Y414 HydrophobicContact CB-CE2 3.51Å; V411-Y414 HydrophobicContact CG1-CD1 4.28Å; V411-Y414 HydrophobicContact CG1-CD2 3.81Å; V411-Y414 HydrophobicContact CG1-CE1 4.05Å; V411-Y414 HydrophobicContact CG1-CE2 3.57Å; V411-Y414 HydrophobicContact CG1-CG 4.16Å; V411-Y414 WeakPolarHBondContact O-CE2 3.48Å; V411-I461 HydrophobicContact CG1-CB 4.4Å; V411-I461 HydrophobicContact CG1-CG2 3.55Å
412T93.2Very high94.6Very high140 Ų14081.8 Ų81.886%0.85946%0.458SS*.  trans-105.3-10.6-172.753.50000113.9
413D94Very high94.7Very high37 Ų3784.8 Ų84.820%0.19847%0.468CS..  trans-116.732.8-168.871-48.9000113.2I461 I462 S463D413-I461 CarbonylContact O-C 3.48Å; D413-I461 WeakPolarHBondContact O-CA 3.32Å; D413-I462 HydrophobicContact CB-CB 4.25Å; D413-I462 HydrophobicContact CB-CD1 4.44Å; D413-I462 VanDerWaalsContact O-CG1 3.31Å; D413-I462 WeakPolarHBondContact O-CG1 3.28Å; D413-I462 PolarHBondContact O-N 3.15Å; D413-I462 PolarHBondContact OD2-N 3.27Å; D413-S463 WeakPolarHBondContact OD2-CB 3.45Å; D413-S463 PolarHBondContact OD2-N 3.33Å; D413-S463 PolarHBondContact OD2-OG 2.91Å
414Y96.6Very high94.7Very high94 Ų9482.6 Ų82.637%0.36945%0.45SS..BIsolated β-bridgetrans-58.3139.8173.5-76.6-71.2000112.6G408 V411 I416 I461G408-Y414 WeakPolarHBondContact CA-OH 3.35Å; G408-Y414 PolarHBondContact O-OH 3.44Å; V411-Y414 HydrophobicContact CB-CD2 4.18Å; V411-Y414 HydrophobicContact CB-CE2 3.51Å; V411-Y414 HydrophobicContact CG1-CD1 4.28Å; V411-Y414 HydrophobicContact CG1-CD2 3.81Å; V411-Y414 HydrophobicContact CG1-CE1 4.05Å; V411-Y414 HydrophobicContact CG1-CE2 3.57Å; V411-Y414 HydrophobicContact CG1-CG 4.16Å; V411-Y414 WeakPolarHBondContact O-CE2 3.48Å; Y414-I416 PolarHBondContact O-N 3.14Å; Y414-I461 HydrophobicContact CD1-CG2 3.79Å; Y414-I461 HydrophobicContact CE1-CG2 4Å; Y414-I461 HydrophobicContact CG-CG2 4.44Å
415R96.1Very high94.7Very high13 Ų1385 Ų855%0.04946%0.458CS..  trans-78.554.1175.7-68.9176.860.4-144.11.3112.3T417 D418 F419 W458 P459 M460 I462R415-T417 PolarHBondContact O-N 2.43Å; R415-D418 HydrophobicContact CB-CB 4.23Å; R415-D418 IonicContact CZ-OD2 3.15Å; R415-D418 IonicContact NE-OD2 3.66Å; R415-D418 PolarHBondContact NE-OD2 3.33Å; R415-D418 IonicContact NH2-OD2 2.68Å; R415-D418 PolarHBondContact NH2-OD2 3.15Å; R415-D418 PolarHBondContact O-N 3.23Å; R415-F419 WeakPolarHBondContact O-CB 3.48Å; R415-F419 PolarHBondContact O-N 3.25Å; R415-W458 HydrophobicContact CB-CH2 3.98Å; R415-W458 HydrophobicContact CB-CZ3 4.45Å; R415-P459 WeakPolarHBondContact CD-O 3.4Å; R415-P459 PolarHBondContact NH1-O 3.47Å; R415-M460 PolarHBondContact N-O 3.09Å; R415-I462 HydrophobicContact CG-CB 4.49Å; R415-I462 HydrophobicContact CG-CG1 3.66Å
416I96.6Very high94.8Very high129 Ų12979.1 Ų79.166%0.66243%0.431SS*.Hα-helixtrans-60.7-43.3-174.3-59.5177.5000111.2Y414 F419 G420Y414-I416 PolarHBondContact O-N 3.14Å; I416-F419 PolarHBondContact O-N 3.02Å; I416-G420 PolarHBondContact O-N 3.15Å
417T96.4Very high94.9Very high108 Ų10886 Ų8666%0.66344%0.444SS*.Hα-helixtrans-59.6-54.7178.1-540000110.9R415 F419 G420 E421R415-T417 PolarHBondContact O-N 2.43Å; T417-F419 VanDerWaalsContact C-N 3.3Å; T417-F419 PolarHBondContact O-N 3.34Å; T417-G420 CarbonylContact O-C 3.57Å; T417-G420 WeakPolarHBondContact O-CA 3.44Å; T417-G420 PolarHBondContact O-N 2.97Å; T417-E421 WeakPolarHBondContact O-CG 3.5Å; T417-E421 PolarHBondContact O-N 3.08Å
418D94.6Very high94.8Very high56 Ų5685.9 Ų85.930%0.29943%0.433SS..Hα-helixtrans-61.1-38.1-178.9-51.611000111.8R415 E421 F422 W458R415-D418 HydrophobicContact CB-CB 4.23Å; R415-D418 IonicContact CZ-OD2 3.15Å; R415-D418 IonicContact NE-OD2 3.66Å; R415-D418 PolarHBondContact NE-OD2 3.33Å; R415-D418 IonicContact NH2-OD2 2.68Å; R415-D418 PolarHBondContact NH2-OD2 3.15Å; R415-D418 PolarHBondContact O-N 3.23Å; D418-E421 PolarHBondContact O-N 2.82Å; D418-F422 WeakPolarHBondContact O-CB 3.41Å; D418-F422 PolarHBondContact O-N 3.02Å; D418-W458 HydrophobicContact CB-CH2 4.37Å; D418-W458 HydrophobicContact CB-CZ2 4.08Å
419F96.9Very high94.7Very high90 Ų9089.4 Ų89.440%0.39545%0.449SS..Hα-helixtrans-67.8-36.6174.5-162.1-107000111.8R415 I416 T417 E421 F422 M423 W458R415-F419 WeakPolarHBondContact O-CB 3.48Å; R415-F419 PolarHBondContact O-N 3.25Å; I416-F419 PolarHBondContact O-N 3.02Å; T417-F419 VanDerWaalsContact C-N 3.3Å; T417-F419 PolarHBondContact O-N 3.34Å; F419-E421 VanDerWaalsContact C-N 3.3Å; F419-E421 PolarHBondContact O-N 3.44Å; F419-F422 AromaticContact CD2-CD1 3.83Å; F419-F422 HydrophobicContact CD2-CD1 3.83Å; F419-F422 HydrophobicContact CD2-CE1 4.44Å; F419-F422 AromaticContact CE2-CD1 3.58Å; F419-F422 HydrophobicContact CE2-CD1 3.58Å; F419-F422 AromaticContact CE2-CE1 3.74Å; F419-F422 HydrophobicContact CE2-CE1 3.74Å; F419-F422 HydrophobicContact CZ-CD1 4.13Å; F419-F422 HydrophobicContact CZ-CE1 4.15Å; F419-F422 WeakPolarHBondContact O-CB 3.4Å; F419-F422 PolarHBondContact O-N 2.96Å; F419-M423 HydrophobicContact CD1-CG 4.04Å; F419-M423 HydrophobicContact CD1-SD 3.75Å; F419-M423 HydrophobicContact CE1-CG 3.89Å; F419-M423 HydrophobicContact CE1-SD 3.73Å; F419-M423 WeakPolarHBondContact O-CB 3.38Å; F419-M423 VanDerWaalsContact O-CG 3.28Å; F419-M423 WeakPolarHBondContact O-CG 3.46Å; F419-M423 PolarHBondContact O-N 2.94Å; F419-W458 HydrophobicContact CB-CH2 3.63Å; F419-W458 HydrophobicContact CB-CZ2 4.12Å; F419-W458 HydrophobicContact CB-CZ3 4.37Å; F419-W458 HydrophobicContact CD2-CE3 4.34Å; F419-W458 AromaticContact CD2-CH2 3.69Å; F419-W458 HydrophobicContact CD2-CH2 3.69Å; F419-W458 AromaticContact CD2-CZ2 3.94Å; F419-W458 HydrophobicContact CD2-CZ2 3.94Å; F419-W458 AromaticContact CD2-CZ3 3.86Å; F419-W458 HydrophobicContact CD2-CZ3 3.86Å; F419-W458 HydrophobicContact CG-CH2 4.14Å
420G96.6Very high94.5Very high35 Ų3594.4 Ų94.436%0.36148%0.478SS..Hα-helixtrans-64-33.5172.200000113.2I416 T417 R424I416-G420 PolarHBondContact O-N 3.15Å; T417-G420 CarbonylContact O-C 3.57Å; T417-G420 WeakPolarHBondContact O-CA 3.44Å; T417-G420 PolarHBondContact O-N 2.97Å; G420-R424 WeakPolarHBondContact O-CB 3.43Å; G420-R424 PolarHBondContact O-N 3.32Å; G420-R424 VanDerWaalsContact O-N 3.13Å
421E95.1Very high94Very high86 Ų8688.1 Ų88.140%0.40246%0.462SS..Hα-helixtrans-69.4-47.9171.9-50.9-126.211200110.6T417 D418 F419 M423 R424 D425T417-E421 WeakPolarHBondContact O-CG 3.5Å; T417-E421 PolarHBondContact O-N 3.08Å; D418-E421 PolarHBondContact O-N 2.82Å; F419-E421 VanDerWaalsContact C-N 3.3Å; F419-E421 PolarHBondContact O-N 3.44Å; E421-M423 VanDerWaalsContact C-N 3.33Å; E421-M423 PolarHBondContact O-N 3.18Å; E421-R424 WeakPolarHBondContact O-CA 3.16Å; E421-R424 WeakPolarHBondContact O-CB 3.38Å; E421-R424 PolarHBondContact O-N 2.97Å; E421-R424 IonicContact OE1-CZ 3.77Å; E421-R424 IonicContact OE1-NH1 3.85Å; E421-R424 PolarHBondContact OE1-NH1 3.08Å; E421-R424 IonicContact OE1-NH2 3.29Å; E421-R424 PolarHBondContact OE1-NH2 3.44Å; E421-R424 IonicContact OE2-NH2 3.84Å; E421-D425 PolarHBondContact O-N 2.69Å
422F95.7Very high93.3Very high26 Ų2688.4 Ų88.411%0.11447%0.47CS..Hα-helixtrans-54.6-44.9173.3166.9-97.9000112.6D418 F419 R424 D425 N426 L451 Y454 T455D418-F422 WeakPolarHBondContact O-CB 3.41Å; D418-F422 PolarHBondContact O-N 3.02Å; F419-F422 AromaticContact CD2-CD1 3.83Å; F419-F422 HydrophobicContact CD2-CD1 3.83Å; F419-F422 HydrophobicContact CD2-CE1 4.44Å; F419-F422 AromaticContact CE2-CD1 3.58Å; F419-F422 HydrophobicContact CE2-CD1 3.58Å; F419-F422 AromaticContact CE2-CE1 3.74Å; F419-F422 HydrophobicContact CE2-CE1 3.74Å; F419-F422 HydrophobicContact CZ-CD1 4.13Å; F419-F422 HydrophobicContact CZ-CE1 4.15Å; F419-F422 WeakPolarHBondContact O-CB 3.4Å; F419-F422 PolarHBondContact O-N 2.96Å; F422-R424 VanDerWaalsContact C-N 3.3Å; F422-R424 PolarHBondContact O-N 2.84Å; F422-D425 PolarHBondContact O-N 3.38Å; F422-N426 VanDerWaalsContact CD2-ND2 3.34Å; F422-N426 WeakPolarHBondContact CD2-ND2 3.47Å; F422-N426 WeakPolarHBondContact CE2-ND2 3.47Å; F422-N426 WeakPolarHBondContact O-CB 3.13Å; F422-N426 PolarHBondContact O-N 3.07Å; F422-N426 VanDerWaalsContact O-N 3.07Å; F422-N426 PolarHBondContact O-ND2 2.97Å; F422-L451 HydrophobicContact CE1-CD2 4.16Å; F422-L451 HydrophobicContact CE2-CD2 4.26Å; F422-L451 HydrophobicContact CZ-CD2 3.53Å; F422-Y454 HydrophobicContact CE2-CD1 4.4Å; F422-T455 HydrophobicContact CE2-CG2 4.26Å; F422-T455 HydrophobicContact CZ-CG2 3.76Å
423M96.6Very high92Very high114 Ų11490.2 Ų90.256%0.56247%0.469SS*.Hα-helixtrans-62.8-34.5174.7-73.7175.368.100112.7F419 E421F419-M423 HydrophobicContact CD1-CG 4.04Å; F419-M423 HydrophobicContact CD1-SD 3.75Å; F419-M423 HydrophobicContact CE1-CG 3.89Å; F419-M423 HydrophobicContact CE1-SD 3.73Å; F419-M423 WeakPolarHBondContact O-CB 3.38Å; F419-M423 VanDerWaalsContact O-CG 3.28Å; F419-M423 WeakPolarHBondContact O-CG 3.46Å; F419-M423 PolarHBondContact O-N 2.94Å; E421-M423 VanDerWaalsContact C-N 3.33Å; E421-M423 PolarHBondContact O-N 3.18Å
424R95.3Very high90.6Very high104 Ų10494.1 Ų94.139%0.39250%0.499SS..Hα-helixtrans-71.2-38.7178.2171.9-178.470.5-143.45.3111.9G420 E421 F422 N426 R427G420-R424 WeakPolarHBondContact O-CB 3.43Å; G420-R424 PolarHBondContact O-N 3.32Å; G420-R424 VanDerWaalsContact O-N 3.13Å; E421-R424 WeakPolarHBondContact O-CA 3.16Å; E421-R424 WeakPolarHBondContact O-CB 3.38Å; E421-R424 PolarHBondContact O-N 2.97Å; E421-R424 IonicContact OE1-CZ 3.77Å; E421-R424 IonicContact OE1-NH1 3.85Å; E421-R424 PolarHBondContact OE1-NH1 3.08Å; E421-R424 IonicContact OE1-NH2 3.29Å; E421-R424 PolarHBondContact OE1-NH2 3.44Å; E421-R424 IonicContact OE2-NH2 3.84Å; F422-R424 VanDerWaalsContact C-N 3.3Å; F422-R424 PolarHBondContact O-N 2.84Å; R424-N426 VanDerWaalsContact C-N 3.34Å; R424-R427 WeakPolarHBondContact O-CD 3.29Å; R424-R427 VanDerWaalsContact O-CG 3.28Å; R424-R427 WeakPolarHBondContact O-CG 3.48Å
425D92.8Very high89Confident107 Ų10792.9 Ų92.957%0.57250%0.504SS*.Hα-helixtrans-81.7-17.9-176.6-61.6-6.4000112E421 F422E421-D425 PolarHBondContact O-N 2.69Å; F422-D425 PolarHBondContact O-N 3.38Å
426N94.8Very high87.2Confident25 Ų2599.1 Ų99.113%0.13453%0.533CS..THydrogen-bonded Turntrans-104.124.9175-68.3-86.3000113.8F422 R424 L428 Q450 L451F422-N426 VanDerWaalsContact CD2-ND2 3.34Å; F422-N426 WeakPolarHBondContact CD2-ND2 3.47Å; F422-N426 WeakPolarHBondContact CE2-ND2 3.47Å; F422-N426 WeakPolarHBondContact O-CB 3.13Å; F422-N426 PolarHBondContact O-N 3.07Å; F422-N426 VanDerWaalsContact O-N 3.07Å; F422-N426 PolarHBondContact O-ND2 2.97Å; R424-N426 VanDerWaalsContact C-N 3.34Å; N426-L428 PolarHBondContact O-N 2.88Å; N426-Q450 PolarHBondContact OD1-NE2 2.82Å; N426-L451 HydrophobicContact CB-CD2 3.8Å
427R95.4Very high85.7Confident186 Ų18694.6 Ų94.670%0.70251%0.511SS*.  trans-63.8133.8173.8-72.7173.4-169-175.36.1111.2R424R424-R427 WeakPolarHBondContact O-CD 3.29Å; R424-R427 VanDerWaalsContact O-CG 3.28Å; R424-R427 WeakPolarHBondContact O-CG 3.48Å
428L93Very high84Confident142 Ų14296 Ų9674%0.74352%0.522SS*.  trans-67145.5171.3-58.4179.7000110.9N426 A447N426-L428 PolarHBondContact O-N 2.88Å; L428-A447 HydrophobicContact CD2-CB 3.68Å
429T89.9Confident82.6Confident106 Ų10696.4 Ų96.465%0.6553%0.529SS*.  trans-130.4141.3169.2-1730000109.2
430P87.1Confident81.5Confident125 Ų12594.8 Ų94.881%0.81254%0.538SS*.  trans-58.7142.8167.6-22.334000110.6
431V84.3Confident80.6Confident75 Ų7598.3 Ų98.346%0.45554%0.543SS..  trans-122.9135.4176.6177.60000106.7S435 P443V431-S435 WeakPolarHBondContact CG1-OG 3.39Å; V431-P443 HydrophobicContact CB-CB 4.41Å; V431-P443 HydrophobicContact CB-CG 4.09Å; V431-P443 HydrophobicContact CG1-CG 4.31Å; V431-P443 HydrophobicContact CG2-CB 4.17Å; V431-P443 HydrophobicContact CG2-CG 4.36Å
432A78.6Confident80.1Confident58 Ų5898.8 Ų98.848%0.47955%0.548SS..  trans-72.7145.6-179.500000110.8S434 S435A432-S434 PolarHBondContact O-N 2.85Å; A432-S435 PolarHBondContact N-OG 3.28Å; A432-S435 PolarHBondContact O-N 3.05Å; A432-S435 PolarHBondContact O-OG 3.47Å
433E66.4Low79.7Confident179 Ų179101 Ų10184%0.83657%0.565SS**THydrogen-bonded Turntrans-59.6-30.3178.5-63.5178.6169.600112.2S435 H436E433-S435 VanDerWaalsContact C-N 3.26Å; E433-S435 PolarHBondContact O-N 2.7Å; E433-H436 PolarHBondContact O-CD2 2.67Å
434S63.1Low79.4Confident119 Ų119100.2 Ų100.283%0.83257%0.567SS**THydrogen-bonded Turntrans-68.7-19174.254.90000114.4A432 H436A432-S434 PolarHBondContact O-N 2.85Å; S434-H436 VanDerWaalsContact C-N 3.26Å; S434-H436 PolarHBondContact O-N 3.21Å
435S63.6Low79.1Confident68 Ų68100.2 Ų100.248%0.47657%0.571SS.*SBendtrans-9246.6176.447.30000112.3V431 A432 E433 D437V431-S435 WeakPolarHBondContact CG1-OG 3.39Å; A432-S435 PolarHBondContact N-OG 3.28Å; A432-S435 PolarHBondContact O-N 3.05Å; A432-S435 PolarHBondContact O-OG 3.47Å; E433-S435 VanDerWaalsContact C-N 3.26Å; E433-S435 PolarHBondContact O-N 2.7Å; S435-D437 PolarHBondContact O-N 2.85Å
436H59.3Low78.9Confident143 Ų143101.1 Ų101.166%0.66257%0.566SS**  trans-62.2129.4176.7-107.8-68.6000111.5E433 S434E433-H436 PolarHBondContact O-CD2 2.67Å; S434-H436 VanDerWaalsContact C-N 3.26Å; S434-H436 PolarHBondContact O-N 3.21Å
437D63.8Low78.8Confident35 Ų35101.3 Ų101.319%0.18757%0.571CS.*  trans-67.5129.2173.4178.55.5000110.3S435 S439 G440 R446S435-D437 PolarHBondContact O-N 2.85Å; D437-S439 PolarHBondContact O-N 2.82Å; D437-S439 PolarHBondContact OD1-N 3.03Å; D437-S439 PolarHBondContact OD1-OG 3.17Å; D437-S439 PolarHBondContact OD2-OG 2.97Å; D437-G440 PolarHBondContact O-N 2.78Å; D437-R446 IonicContact OD1-NH1 2.7Å; D437-R446 WeakPolarHBondContact OD2-CD 3.09Å; D437-R446 IonicContact OD2-CZ 3.41Å; D437-R446 IonicContact OD2-NE 2.71Å; D437-R446 IonicContact OD2-NH1 3.7Å; D437-R446 PolarHBondContact OD2-NH1 2.94Å
438P61.2Low78.8Confident137 Ų137100 Ų10089%0.8957%0.571SS**THydrogen-bonded Turntrans-57.4-16.2172.123.4-34.8000114.2G440P438-G440 VanDerWaalsContact C-N 3.31Å
439S65.5Low78.8Confident64 Ų6494.4 Ų94.445%0.44855%0.547SS..THydrogen-bonded Turntrans-78.5-7.8171.792.10000115D437 K441D437-S439 PolarHBondContact O-N 2.82Å; D437-S439 PolarHBondContact OD1-N 3.03Å; D437-S439 PolarHBondContact OD1-OG 3.17Å; D437-S439 PolarHBondContact OD2-OG 2.97Å; S439-K441 PolarHBondContact O-N 3.48Å; S439-K441 VanDerWaalsContact O-N 3.17Å; S439-K441 WeakPolarHBondContact OG-CG 3.49Å
440G72.4Confident79Confident57 Ų5792.3 Ų92.359%0.58853%0.53SS*.  trans73-4.4179.600000116D437 P438D437-G440 PolarHBondContact O-N 2.78Å; P438-G440 VanDerWaalsContact C-N 3.31Å
441K78Confident79.4Confident109 Ų10989.8 Ų89.847%0.47451%0.509SS..  trans-71.3144.5-179.2-66.3176.2-175.6172.40112.4S439 R446S439-K441 PolarHBondContact O-N 3.48Å; S439-K441 VanDerWaalsContact O-N 3.17Å; S439-K441 WeakPolarHBondContact OG-CG 3.49Å; K441-R446 HydrophobicContact CB-CG 4.12Å
442L84.5Confident80Confident95 Ų9590.6 Ų90.650%0.49751%0.508SS..  trans-72.6145.6175.9-62.5173.2000110.9V444 E445 R446L442-V444 HydrophobicContact CB-CG1 4.18Å; L442-V444 PolarHBondContact O-N 2.76Å; L442-V444 VanDerWaalsContact O-N 3.15Å; L442-E445 HydrophobicContact CB-CG 4.05Å; L442-E445 PolarHBondContact N-OE2 3.46Å; L442-E445 WeakPolarHBondContact O-CB 3.44Å; L442-E445 PolarHBondContact O-N 3.05Å; L442-R446 PolarHBondContact O-N 2.62Å; L442-R446 VanDerWaalsContact O-N 3.13Å
443P88.3Confident80.7Confident73 Ų7389.6 Ų89.647%0.47449%0.492SS..Hα-helixtrans-55.1-35179.3-28.535.6000114.2V431 R446 A447V431-P443 HydrophobicContact CB-CB 4.41Å; V431-P443 HydrophobicContact CB-CG 4.09Å; V431-P443 HydrophobicContact CG1-CG 4.31Å; V431-P443 HydrophobicContact CG2-CB 4.17Å; V431-P443 HydrophobicContact CG2-CG 4.36Å; P443-R446 PolarHBondContact O-N 2.95Å; P443-A447 PolarHBondContact O-N 3.44Å
444V89.6Confident82.1Confident98 Ų9884.1 Ų84.159%0.59446%0.464SS*.Hα-helixtrans-67.6-34.5176.966.70000112.8L442 A447 K448L442-V444 HydrophobicContact CB-CG1 4.18Å; L442-V444 PolarHBondContact O-N 2.76Å; L442-V444 VanDerWaalsContact O-N 3.15Å; V444-A447 PolarHBondContact O-N 3.42Å; V444-K448 WeakPolarHBondContact O-CB 3.44Å; V444-K448 PolarHBondContact O-N 2.8Å
445E90.3Very high83.7Confident104 Ų10481.8 Ų81.849%0.48644%0.444SS..Hα-helixtrans-71.7-38176.8-61.8175.1138.300110.8L442 K448 G449L442-E445 HydrophobicContact CB-CG 4.05Å; L442-E445 PolarHBondContact N-OE2 3.46Å; L442-E445 WeakPolarHBondContact O-CB 3.44Å; L442-E445 PolarHBondContact O-N 3.05Å; E445-K448 PolarHBondContact O-N 2.84Å; E445-G449 PolarHBondContact O-N 2.68Å
446R88.4Confident85.2Confident126 Ų12683.2 Ų83.248%0.47544%0.44SS..Hα-helixtrans-61.6-45.3172.1-69.1-179.155.7147.9-5.2111.6D437 K441 L442 P443 G449 Q450D437-R446 IonicContact OD1-NH1 2.7Å; D437-R446 WeakPolarHBondContact OD2-CD 3.09Å; D437-R446 IonicContact OD2-CZ 3.41Å; D437-R446 IonicContact OD2-NE 2.71Å; D437-R446 IonicContact OD2-NH1 3.7Å; D437-R446 PolarHBondContact OD2-NH1 2.94Å; K441-R446 HydrophobicContact CB-CG 4.12Å; L442-R446 PolarHBondContact O-N 2.62Å; L442-R446 VanDerWaalsContact O-N 3.13Å; P443-R446 PolarHBondContact O-N 2.95Å; R446-G449 PolarHBondContact O-N 3.05Å; R446-Q450 PolarHBondContact O-N 3.41Å
447A92.4Very high87Confident28 Ų2878.9 Ų78.923%0.23142%0.418CS..Hα-helixtrans-61.3-43.517500000112L428 P443 V444 G449 Q450 L451L428-A447 HydrophobicContact CD2-CB 3.68Å; P443-A447 PolarHBondContact O-N 3.44Å; V444-A447 PolarHBondContact O-N 3.42Å; A447-G449 PolarHBondContact O-N 3.27Å; A447-Q450 WeakPolarHBondContact O-CB 3.28Å; A447-Q450 PolarHBondContact O-N 3.13Å; A447-L451 WeakPolarHBondContact O-CG 3.35Å; A447-L451 PolarHBondContact O-N 3.45Å
448K94.6Very high88.5Confident160 Ų16079.8 Ų79.870%0.69642%0.419SS*.Hα-helixtrans-61.9-41.5174.8-173.4179.6178.5-1770112.4V444 E445 Q450 L451 E452V444-K448 WeakPolarHBondContact O-CB 3.44Å; V444-K448 PolarHBondContact O-N 2.8Å; E445-K448 PolarHBondContact O-N 2.84Å; K448-Q450 VanDerWaalsContact C-N 3.35Å; K448-L451 PolarHBondContact O-N 3.47Å; K448-E452 PolarHBondContact O-N 2.69Å
449G92.9Very high90.2Very high23 Ų2373.8 Ų73.824%0.23738%0.38CS..Hα-helixtrans-66.7-32.9175.300000113.4E445 R446 A447 R453E445-G449 PolarHBondContact O-N 2.68Å; R446-G449 PolarHBondContact O-N 3.05Å; A447-G449 PolarHBondContact O-N 3.27Å; G449-R453 WeakPolarHBondContact O-CG 3.42Å; G449-R453 PolarHBondContact O-N 2.68Å
450Q93.9Very high91.6Very high63 Ų6376.5 Ų76.529%0.29439%0.387SS..Hα-helixtrans-65.8-46.7171.8-176.9174-58.500111.5N426 R446 A447 K448 E452 R453 Y454N426-Q450 PolarHBondContact OD1-NE2 2.82Å; R446-Q450 PolarHBondContact O-N 3.41Å; A447-Q450 WeakPolarHBondContact O-CB 3.28Å; A447-Q450 PolarHBondContact O-N 3.13Å; K448-Q450 VanDerWaalsContact C-N 3.35Å; Q450-E452 PolarHBondContact O-N 3.01Å; Q450-R453 PolarHBondContact O-N 2.98Å; Q450-Y454 HydrophobicContact CG-CD2 3.89Å; Q450-Y454 HydrophobicContact CG-CE2 3.71Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.39Å; Q450-Y454 PolarHBondContact O-N 3.15Å
451L96.6Very high92.7Very high72 Ų7274.9 Ų74.938%0.37736%0.364SS..Hα-helixtrans-58.9-45.9176.2-68.7172.8000111.7F422 N426 A447 K448 R453 Y454 T455F422-L451 HydrophobicContact CE1-CD2 4.16Å; F422-L451 HydrophobicContact CE2-CD2 4.26Å; F422-L451 HydrophobicContact CZ-CD2 3.53Å; N426-L451 HydrophobicContact CB-CD2 3.8Å; A447-L451 WeakPolarHBondContact O-CG 3.35Å; A447-L451 PolarHBondContact O-N 3.45Å; K448-L451 PolarHBondContact O-N 3.47Å; L451-R453 PolarHBondContact O-N 2.98Å; L451-Y454 PolarHBondContact O-N 3.28Å; L451-T455 WeakPolarHBondContact O-CB 3.46Å; L451-T455 WeakPolarHBondContact O-CG2 3.27Å; L451-T455 PolarHBondContact O-N 2.92Å; L451-T455 PolarHBondContact O-OG1 3.07Å
452E95.8Very high93.5Very high92 Ų9273.4 Ų73.443%0.4336%0.361SS..Hα-helixtrans-51.6-56.5175.1-177.4-80.114200111.1K448 Q450 Y454 T455 R456K448-E452 PolarHBondContact O-N 2.69Å; Q450-E452 PolarHBondContact O-N 3.01Å; E452-Y454 PolarHBondContact O-N 2.82Å; E452-T455 PolarHBondContact O-N 2.9Å; E452-T455 PolarHBondContact O-OG1 2.95Å; E452-R456 WeakPolarHBondContact O-CG 3.36Å; E452-R456 PolarHBondContact O-N 3.36Å; E452-R456 IonicContact OE1-CZ 2.74Å; E452-R456 IonicContact OE1-NE 2.64Å; E452-R456 PolarHBondContact OE1-NE 3.37Å; E452-R456 IonicContact OE1-NH2 3.1Å; E452-R456 PolarHBondContact OE1-NH2 3.05Å; E452-R456 IonicContact OE2-CZ 2.88Å; E452-R456 IonicContact OE2-NE 3.33Å; E452-R456 PolarHBondContact OE2-NE 3.41Å; E452-R456 IonicContact OE2-NH2 3.8Å; E452-R456 PolarHBondContact OE2-NH2 3.32Å
453R94.7Very high93.8Very high37 Ų3770.9 Ų70.914%0.1435%0.351CS..Hα-helixtrans-55.4-51.6178.4-70.6-174.2-60.9-115.212.4112.4G449 Q450 L451 T455 R456 E483 H542G449-R453 WeakPolarHBondContact O-CG 3.42Å; G449-R453 PolarHBondContact O-N 2.68Å; Q450-R453 PolarHBondContact O-N 2.98Å; L451-R453 PolarHBondContact O-N 2.98Å; R453-T455 PolarHBondContact O-N 3.05Å; R453-R456 WeakPolarHBondContact O-CG 3.49Å; R453-R456 PolarHBondContact O-N 3.13Å; R453-E483 IonicContact CZ-OE2 3.92Å; R453-E483 IonicContact NH1-OE1 2.84Å; R453-E483 IonicContact NH1-OE2 2.74Å; R453-E483 PolarHBondContact NH1-OE2 2.84Å; R453-E483 IonicContact NH2-OE2 2.65Å; R453-E483 PolarHBondContact NH2-OE2 2.84Å; R453-H542 PolarHBondContact O-CE1 3.33Å; R453-H542 PolarHBondContact O-NE2 2.93Å
454Y95.1Very high94Very high63 Ų6373 Ų7325%0.24736%0.355CS..Hα-helixtrans-68.8-17.8-173.7-78.6-133.3000112.6F422 Q450 L451 E452 V481F422-Y454 HydrophobicContact CE2-CD1 4.4Å; Q450-Y454 HydrophobicContact CG-CD2 3.89Å; Q450-Y454 HydrophobicContact CG-CE2 3.71Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.39Å; Q450-Y454 PolarHBondContact O-N 3.15Å; L451-Y454 PolarHBondContact O-N 3.28Å; E452-Y454 PolarHBondContact O-N 2.82Å; Y454-V481 HydrophobicContact CD1-CG2 3.97Å; Y454-V481 HydrophobicContact CD2-CB 3.76Å; Y454-V481 HydrophobicContact CD2-CG2 3.87Å; Y454-V481 HydrophobicContact CE1-CG2 3.77Å; Y454-V481 HydrophobicContact CE2-CB 3.9Å; Y454-V481 HydrophobicContact CE2-CG2 3.65Å; Y454-V481 WeakPolarHBondContact CE2-O 3.17Å; Y454-V481 HydrophobicContact CG-CB 4.09Å; Y454-V481 HydrophobicContact CG-CG2 4.02Å
455T96.4Very high94.2Very high70 Ų7068.5 Ų68.543%0.42933%0.327SS..Hα-helixtrans-100.4-1.6178.660.40000114.7F422 L451 E452 R453 Y457F422-T455 HydrophobicContact CE2-CG2 4.26Å; F422-T455 HydrophobicContact CZ-CG2 3.76Å; L451-T455 WeakPolarHBondContact O-CB 3.46Å; L451-T455 WeakPolarHBondContact O-CG2 3.27Å; L451-T455 PolarHBondContact O-N 2.92Å; L451-T455 PolarHBondContact O-OG1 3.07Å; E452-T455 PolarHBondContact O-N 2.9Å; E452-T455 PolarHBondContact O-OG1 2.95Å; R453-T455 PolarHBondContact O-N 3.05Å; T455-Y457 PolarHBondContact O-N 3.47Å
456R95.6Very high94.3Very high99 Ų9963.9 Ų63.937%0.37431%0.306SS..THydrogen-bonded Turntrans-55.8-35179.9-71.1-175.6-176.4172.86.8114.1E452 R453 T541E452-R456 WeakPolarHBondContact O-CG 3.36Å; E452-R456 PolarHBondContact O-N 3.36Å; E452-R456 IonicContact OE1-CZ 2.74Å; E452-R456 IonicContact OE1-NE 2.64Å; E452-R456 PolarHBondContact OE1-NE 3.37Å; E452-R456 IonicContact OE1-NH2 3.1Å; E452-R456 PolarHBondContact OE1-NH2 3.05Å; E452-R456 IonicContact OE2-CZ 2.88Å; E452-R456 IonicContact OE2-NE 3.33Å; E452-R456 PolarHBondContact OE2-NE 3.41Å; E452-R456 IonicContact OE2-NH2 3.8Å; E452-R456 PolarHBondContact OE2-NH2 3.32Å; R453-R456 WeakPolarHBondContact O-CG 3.49Å; R453-R456 PolarHBondContact O-N 3.13Å; R456-T541 WeakPolarHBondContact CD-O 3.48Å; R456-T541 PolarHBondContact NH1-O 3.41Å
457Y96.1Very high94.6Very high52 Ų5258 Ų5820%0.20428%0.284CS..THydrogen-bonded Turntrans-138.987.7171.8-172-100.4000109.7T455 P459 I467 F468 E534 T537 L538T455-Y457 PolarHBondContact O-N 3.47Å; Y457-P459 HydrophobicContact CD1-CG 4.44Å; Y457-P459 HydrophobicContact CE1-CG 3.74Å; Y457-P459 HydrophobicContact CE2-CG 4.4Å; Y457-I467 HydrophobicContact CE1-CD1 4.2Å; Y457-F468 AromaticContact CD1-CE2 3.74Å; Y457-F468 HydrophobicContact CD1-CE2 3.74Å; Y457-F468 HydrophobicContact CD1-CZ 4.31Å; Y457-F468 HydrophobicContact CE1-CD2 4.49Å; Y457-F468 AromaticContact CE1-CE2 3.79Å; Y457-F468 HydrophobicContact CE1-CE2 3.79Å; Y457-E534 HydrophobicContact CE1-CG 4.03Å; Y457-E534 WeakPolarHBondContact OH-CG 3.35Å; Y457-E534 PolarHBondContact OH-OE1 3.2Å; Y457-T537 HydrophobicContact CD2-CG2 4Å; Y457-T537 HydrophobicContact CE2-CG2 4.02Å; Y457-L538 HydrophobicContact CD1-CB 3.86Å; Y457-L538 HydrophobicContact CD1-CD1 4.11Å; Y457-L538 HydrophobicContact CD1-CG 4.48Å; Y457-L538 HydrophobicContact CE1-CB 4.5Å; Y457-L538 HydrophobicContact CG-CB 4.42Å; Y457-L538 HydrophobicContact CG-CD1 4.49Å
458W96.6Very high94.7Very high54 Ų5458.7 Ų58.721%0.20528%0.282CS..  trans-131.685.7-178.3-151.297.5000111.4R415 D418 F419 M460R415-W458 HydrophobicContact CB-CH2 3.98Å; R415-W458 HydrophobicContact CB-CZ3 4.45Å; D418-W458 HydrophobicContact CB-CH2 4.37Å; D418-W458 HydrophobicContact CB-CZ2 4.08Å; F419-W458 HydrophobicContact CB-CH2 3.63Å; F419-W458 HydrophobicContact CB-CZ2 4.12Å; F419-W458 HydrophobicContact CB-CZ3 4.37Å; F419-W458 HydrophobicContact CD2-CE3 4.34Å; F419-W458 AromaticContact CD2-CH2 3.69Å; F419-W458 HydrophobicContact CD2-CH2 3.69Å; F419-W458 AromaticContact CD2-CZ2 3.94Å; F419-W458 HydrophobicContact CD2-CZ2 3.94Å; F419-W458 AromaticContact CD2-CZ3 3.86Å; F419-W458 HydrophobicContact CD2-CZ3 3.86Å; F419-W458 HydrophobicContact CG-CH2 4.14Å; W458-M460 HydrophobicContact CE3-CG 4.38Å; W458-M460 PolarHBondContact O-N 3.33Å
459P95.9Very high94.7Very high11 Ų1153.3 Ų53.37%0.07126%0.261CS..  trans-61.3128.5176.8-24.936.5000111.1R415 Y457 Q464 T465 F468R415-P459 WeakPolarHBondContact CD-O 3.4Å; R415-P459 PolarHBondContact NH1-O 3.47Å; Y457-P459 HydrophobicContact CD1-CG 4.44Å; Y457-P459 HydrophobicContact CE1-CG 3.74Å; Y457-P459 HydrophobicContact CE2-CG 4.4Å; P459-Q464 HydrophobicContact CB-CB 4.07Å; P459-T465 HydrophobicContact CB-CG2 4.33Å; P459-F468 HydrophobicContact CG-CD2 4.2Å; P459-F468 HydrophobicContact CG-CE2 4.23Å
460M95.6Very high94.7Very high121 Ų12152.7 Ų52.760%0.59625%0.252SS*.SBendtrans-81.6-19.5-171.1-66.8-171.4-67.800114.6R415 W458R415-M460 PolarHBondContact N-O 3.09Å; W458-M460 HydrophobicContact CE3-CG 4.38Å; W458-M460 PolarHBondContact O-N 3.33Å
461I95.4Very high94.6Very high23 Ų2357.2 Ų57.212%0.11827%0.273CS..BIsolated β-bridgetrans-126.2148.2-175.774179.7000110.4V411 D413 Y414 S463 Q464V411-I461 HydrophobicContact CG1-CB 4.4Å; V411-I461 HydrophobicContact CG1-CG2 3.55Å; D413-I461 CarbonylContact O-C 3.48Å; D413-I461 WeakPolarHBondContact O-CA 3.32Å; Y414-I461 HydrophobicContact CD1-CG2 3.79Å; Y414-I461 HydrophobicContact CE1-CG2 4Å; Y414-I461 HydrophobicContact CG-CG2 4.44Å; I461-S463 VanDerWaalsContact CD1-OG 3.25Å; I461-S463 WeakPolarHBondContact CD1-OG 3.38Å; I461-S463 PolarHBondContact O-N 3.45Å; I461-Q464 HydrophobicContact CD1-CG 3.76Å; I461-Q464 HydrophobicContact CG1-CB 3.76Å; I461-Q464 HydrophobicContact CG1-CG 3.52Å; I461-Q464 PolarHBondContact O-N 3.3Å; I461-Q464 VanDerWaalsContact O-N 3.14Å
462I94.1Very high94.4Very high77 Ų7755.5 Ų55.540%0.39527%0.269SS..G310 helixtrans-59.6-36.9-175.2-65164.3000110.2D413 R415 Q464 T465 N469D413-I462 HydrophobicContact CB-CB 4.25Å; D413-I462 HydrophobicContact CB-CD1 4.44Å; D413-I462 VanDerWaalsContact O-CG1 3.31Å; D413-I462 WeakPolarHBondContact O-CG1 3.28Å; D413-I462 PolarHBondContact O-N 3.15Å; D413-I462 PolarHBondContact OD2-N 3.27Å; R415-I462 HydrophobicContact CG-CB 4.49Å; R415-I462 HydrophobicContact CG-CG1 3.66Å; I462-Q464 VanDerWaalsContact C-N 3.32Å; I462-Q464 PolarHBondContact O-N 3.04Å; I462-T465 PolarHBondContact O-N 3.35Å; I462-T465 VanDerWaalsContact O-O 3.12Å; I462-N469 PolarHBondContact O-ND2 2.96Å
463S91.3Very high94.4Very high42 Ų4251.1 Ų51.129%0.29425%0.249SC..G310 helixtrans-73.1-1518057.60000115.8D413 I461 S513D413-S463 WeakPolarHBondContact OD2-CB 3.45Å; D413-S463 PolarHBondContact OD2-N 3.33Å; D413-S463 PolarHBondContact OD2-OG 2.91Å; I461-S463 VanDerWaalsContact CD1-OG 3.25Å; I461-S463 WeakPolarHBondContact CD1-OG 3.38Å; I461-S463 PolarHBondContact O-N 3.45Å; S463-S513 VanDerWaalsContact CB-OG 3.31Å; S463-S513 WeakPolarHBondContact CB-OG 3.48Å
464Q92.3Very high94.3Very high119 Ų11951.6 Ų51.656%0.55626%0.256SS*.G310 helixtrans-87.4-3.1177.2-83.1173.50.700113.7P459 I461 I462P459-Q464 HydrophobicContact CB-CB 4.07Å; I461-Q464 HydrophobicContact CD1-CG 3.76Å; I461-Q464 HydrophobicContact CG1-CB 3.76Å; I461-Q464 HydrophobicContact CG1-CG 3.52Å; I461-Q464 PolarHBondContact O-N 3.3Å; I461-Q464 VanDerWaalsContact O-N 3.14Å; I462-Q464 VanDerWaalsContact C-N 3.32Å; I462-Q464 PolarHBondContact O-N 3.04Å
465T94.2Very high94.3Very high3 Ų351.1 Ų51.12%0.01826%0.26CS..  trans-134.9145.5-177-178.40000112.4P459 I462 I467 F468 N469 E534P459-T465 HydrophobicContact CB-CG2 4.33Å; I462-T465 PolarHBondContact O-N 3.35Å; I462-T465 VanDerWaalsContact O-O 3.12Å; T465-I467 PolarHBondContact OG1-N 2.93Å; T465-F468 HydrophobicContact CG2-CB 3.98Å; T465-F468 WeakPolarHBondContact OG1-CD2 3.23Å; T465-F468 PolarHBondContact OG1-N 3.36Å; T465-F468 VanDerWaalsContact OG1-N 3.15Å; T465-N469 PolarHBondContact O-ND2 2.87Å; T465-E534 WeakPolarHBondContact CA-OE1 3.46Å; T465-E534 WeakPolarHBondContact CB-OE1 3.38Å; T465-E534 PolarHBondContact OG1-OE1 3.26Å
466T92.7Very high94.3Very high7 Ų747.8 Ų47.84%0.04324%0.24CC..SBendtrans-105.7-47.9165.9-47.10000109.3F468 N469 M470 L510 I512 M531 E534T466-F468 PolarHBondContact O-N 3.48Å; T466-N469 PolarHBondContact O-N 3.43Å; T466-N469 VanDerWaalsContact O-N 3.15Å; T466-M470 HydrophobicContact CG2-SD 4.06Å; T466-M470 WeakPolarHBondContact O-CG 3.26Å; T466-M470 PolarHBondContact O-N 3.45Å; T466-L510 HydrophobicContact CG2-CB 4.32Å; T466-I512 HydrophobicContact CG2-CD1 4.15Å; T466-I512 HydrophobicContact CG2-CG1 3.45Å; T466-I512 VanDerWaalsContact CG2-CG1 3.45Å; T466-M531 HydrophobicContact CG2-CB 4.23Å; T466-M531 HydrophobicContact CG2-CG 4.29Å; T466-E534 VanDerWaalsContact CA-OE2 3.31Å; T466-E534 WeakPolarHBondContact CA-OE2 3.47Å; T466-E534 WeakPolarHBondContact CB-OE2 3.45Å; T466-E534 PolarHBondContact N-OE1 2.84Å; T466-E534 PolarHBondContact N-OE2 2.79Å; T466-E534 PolarHBondContact OG1-OE2 2.95Å
467I94.9Very high94.2Very high2 Ų243.4 Ų43.41%0.0123%0.225CC..G310 helixtrans-65.9-36.8-170.770.4-175.9000113.1Y457 T465 N469 M470 V473 M531 E534 L535 L538Y457-I467 HydrophobicContact CE1-CD1 4.2Å; T465-I467 PolarHBondContact OG1-N 2.93Å; I467-N469 VanDerWaalsContact C-N 3.29Å; I467-N469 PolarHBondContact O-N 3.45Å; I467-M470 WeakPolarHBondContact O-CB 3.3Å; I467-M470 PolarHBondContact O-N 3.37Å; I467-M470 VanDerWaalsContact O-N 3.17Å; I467-V473 HydrophobicContact CB-CG1 4.17Å; I467-V473 HydrophobicContact CB-CG2 4.31Å; I467-M531 HydrophobicContact CG2-CG 4.02Å; I467-M531 HydrophobicContact CG2-SD 4.23Å; I467-E534 HydrophobicContact CD1-CB 4.45Å; I467-E534 HydrophobicContact CD1-CG 3.96Å; I467-E534 HydrophobicContact CG1-CG 4.15Å; I467-E534 HydrophobicContact CG2-CB 4.01Å; I467-E534 HydrophobicContact CG2-CG 4.28Å; I467-E534 PolarHBondContact N-OE2 3.37Å; I467-L535 HydrophobicContact CD1-CD1 4.37Å; I467-L535 HydrophobicContact CG2-CB 4.09Å; I467-L538 HydrophobicContact CD1-CB 3.96Å; I467-L538 HydrophobicContact CD1-CD2 3.74Å
468F94.3Very high94Very high42 Ų4246 Ų4618%0.18424%0.242CC..G310 helixtrans-76.6-17.4178.7-70.1-70.1000113.1Y457 P459 T465 T466 M470 A477 L538Y457-F468 AromaticContact CD1-CE2 3.74Å; Y457-F468 HydrophobicContact CD1-CE2 3.74Å; Y457-F468 HydrophobicContact CD1-CZ 4.31Å; Y457-F468 HydrophobicContact CE1-CD2 4.49Å; Y457-F468 AromaticContact CE1-CE2 3.79Å; Y457-F468 HydrophobicContact CE1-CE2 3.79Å; P459-F468 HydrophobicContact CG-CD2 4.2Å; P459-F468 HydrophobicContact CG-CE2 4.23Å; T465-F468 HydrophobicContact CG2-CB 3.98Å; T465-F468 WeakPolarHBondContact OG1-CD2 3.23Å; T465-F468 PolarHBondContact OG1-N 3.36Å; T465-F468 VanDerWaalsContact OG1-N 3.15Å; T466-F468 PolarHBondContact O-N 3.48Å; F468-M470 VanDerWaalsContact C-N 3.25Å; F468-A477 HydrophobicContact CD1-CB 4.43Å; F468-A477 HydrophobicContact CE1-CB 3.96Å; F468-L538 HydrophobicContact CZ-CD1 4.43Å; F468-L538 HydrophobicContact CZ-CD2 4.22Å
469N93.3Very high94Very high47 Ų4744.6 Ų44.625%0.25124%0.239SC..G310 helixtrans-81.4-4.8170.6-64.7-29.4000112.3I462 T465 T466 I467 P511I462-N469 PolarHBondContact O-ND2 2.96Å; T465-N469 PolarHBondContact O-ND2 2.87Å; T466-N469 PolarHBondContact O-N 3.43Å; T466-N469 VanDerWaalsContact O-N 3.15Å; I467-N469 VanDerWaalsContact C-N 3.29Å; I467-N469 PolarHBondContact O-N 3.45Å; N469-P511 HydrophobicContact CB-CB 4.04Å; N469-P511 HydrophobicContact CB-CG 3.7Å
470M93.4Very high94Very high10 Ų1044.1 Ų44.15%0.04924%0.235CC..  trans-103.6111.5-177.9-68.3171.465.400112T466 I467 F468 A472 V473 L500 M503 L510 P511 M531T466-M470 HydrophobicContact CG2-SD 4.06Å; T466-M470 WeakPolarHBondContact O-CG 3.26Å; T466-M470 PolarHBondContact O-N 3.45Å; I467-M470 WeakPolarHBondContact O-CB 3.3Å; I467-M470 PolarHBondContact O-N 3.37Å; I467-M470 VanDerWaalsContact O-N 3.17Å; F468-M470 VanDerWaalsContact C-N 3.25Å; M470-A472 PolarHBondContact O-N 3.31Å; M470-A472 VanDerWaalsContact O-N 3.09Å; M470-V473 HydrophobicContact CB-CB 4.44Å; M470-V473 HydrophobicContact CB-CG2 3.8Å; M470-V473 HydrophobicContact CE-CG2 4.17Å; M470-V473 PolarHBondContact O-N 2.93Å; M470-V473 HydrophobicContact SD-CG2 4.31Å; M470-L500 HydrophobicContact CE-CD2 3.47Å; M470-L500 VanDerWaalsContact CE-CD2 3.47Å; M470-M503 HydrophobicContact CE-CE 3.97Å; M470-L510 HydrophobicContact CE-CD2 3.58Å; M470-L510 HydrophobicContact SD-CD2 3.92Å; M470-P511 HydrophobicContact CG-CG 3.61Å; M470-M531 HydrophobicContact CE-CG 4.32Å; M470-M531 HydrophobicContact SD-CG 3.76Å
471Q91.6Very high93.9Very high158 Ų15839 Ų3974%0.73821%0.211SC*.THydrogen-bonded Turntrans-56-28.1173.4-68-61.3-4500113.3V473 V474Q471-V473 PolarHBondContact O-N 3.39Å; Q471-V474 PolarHBondContact O-N 3.19Å
472A93.3Very high93.9Very high36 Ų3641 Ų4130%0.29822%0.219SC..THydrogen-bonded Turntrans-62-27.9174.700000113.8M470 T496 L500 M503M470-A472 PolarHBondContact O-N 3.31Å; M470-A472 VanDerWaalsContact O-N 3.09Å; A472-T496 VanDerWaalsContact O-CG2 3.28Å; A472-T496 WeakPolarHBondContact O-CG2 3.41Å; A472-L500 HydrophobicContact CB-CD2 4.34Å; A472-M503 HydrophobicContact CB-SD 3.98Å
473V94.6Very high93.7Very high0 Ų041.8 Ų41.80%022%0.221CC..THydrogen-bonded Turntrans-92-21.5-175.6-172.20000112.7I467 M470 Q471 P475 L476 A477 L500 L535I467-V473 HydrophobicContact CB-CG1 4.17Å; I467-V473 HydrophobicContact CB-CG2 4.31Å; M470-V473 HydrophobicContact CB-CB 4.44Å; M470-V473 HydrophobicContact CB-CG2 3.8Å; M470-V473 HydrophobicContact CE-CG2 4.17Å; M470-V473 PolarHBondContact O-N 2.93Å; M470-V473 HydrophobicContact SD-CG2 4.31Å; Q471-V473 PolarHBondContact O-N 3.39Å; V473-P475 VanDerWaalsContact C-N 3.3Å; V473-P475 VanDerWaalsContact O-N 3.11Å; V473-L476 PolarHBondContact O-N 3.5Å; V473-A477 HydrophobicContact CG1-CB 4.44Å; V473-A477 PolarHBondContact O-N 3.02Å; V473-L500 HydrophobicContact CG2-CD1 4.21Å; V473-L500 HydrophobicContact CG2-CD2 4Å; V473-L535 HydrophobicContact CG1-CD1 3.78Å
474V92.6Very high93.7Very high47 Ų4745.7 Ų45.729%0.28524%0.238SC..Hα-helixtrans-46.5-42.9-178.3176.10000113.8Q471 L476 A477 N478Q471-V474 PolarHBondContact O-N 3.19Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.35Å; V474-A477 PolarHBondContact O-N 3.09Å; V474-N478 WeakPolarHBondContact CG1-ND2 3.43Å; V474-N478 WeakPolarHBondContact O-CB 3.33Å; V474-N478 PolarHBondContact O-N 2.79Å
475P95.1Very high93.8Very high54 Ų5440.2 Ų40.235%0.35121%0.212SC..Hα-helixtrans-63.2-34.1177.8-21.533.8000113.8V473 L479 T492V473-P475 VanDerWaalsContact C-N 3.3Å; V473-P475 VanDerWaalsContact O-N 3.11Å; P475-L479 WeakPolarHBondContact O-CB 3.21Å; P475-L479 WeakPolarHBondContact O-CD1 3.48Å; P475-L479 WeakPolarHBondContact O-CG 3.06Å; P475-T492 HydrophobicContact CB-CG2 3.89Å
476L96.8Very high93.9Very high0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-78.3-46175.8-177.9160.8000110.7V473 V474 N478 L479 I480 C493 T496 I497 L535 V539 V552V473-L476 PolarHBondContact O-N 3.5Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.35Å; L476-N478 VanDerWaalsContact C-N 3.35Å; L476-N478 PolarHBondContact O-N 3.35Å; L476-L479 PolarHBondContact O-N 2.76Å; L476-L479 VanDerWaalsContact O-N 3.08Å; L476-I480 HydrophobicContact CD2-CB 4.31Å; L476-I480 HydrophobicContact CD2-CG2 4.24Å; L476-I480 PolarHBondContact O-N 3.2Å; L476-C493 HydrophobicContact CD1-CB 4.3Å; L476-C493 HydrophobicContact CG-CB 4.19Å; L476-T496 HydrophobicContact CB-CG2 3.64Å; L476-T496 HydrophobicContact CD1-CG2 4.18Å; L476-I497 HydrophobicContact CD1-CD1 4.15Å; L476-I497 HydrophobicContact CD1-CG1 3.81Å; L476-L535 HydrophobicContact CD1-CD1 4.33Å; L476-L535 HydrophobicContact CD2-CD1 3.85Å; L476-V539 HydrophobicContact CD2-CG2 3.96Å; L476-V552 HydrophobicContact CD1-CG1 4.36Å
477A93.7Very high94Very high7 Ų747.9 Ų47.96%0.05825%0.252CS..Hα-helixtrans-60.8-40.4-175.900000113F468 V473 V474 L479 L538F468-A477 HydrophobicContact CD1-CB 4.43Å; F468-A477 HydrophobicContact CE1-CB 3.96Å; V473-A477 HydrophobicContact CG1-CB 4.44Å; V473-A477 PolarHBondContact O-N 3.02Å; V474-A477 PolarHBondContact O-N 3.09Å; A477-L479 VanDerWaalsContact C-N 3.28Å; A477-L479 PolarHBondContact O-N 2.91Å; A477-L538 HydrophobicContact CB-CD2 4.22Å
478N92.9Very high94Very high106 Ų10654.9 Ų54.957%0.56729%0.285SS*.Hα-helixtrans-73.3-19.6177.8-71.4-6.4000113.5V474 L476V474-N478 WeakPolarHBondContact CG1-ND2 3.43Å; V474-N478 WeakPolarHBondContact O-CB 3.33Å; V474-N478 PolarHBondContact O-N 2.79Å; L476-N478 VanDerWaalsContact C-N 3.35Å; L476-N478 PolarHBondContact O-N 3.35Å
479L95.4Very high94.1Very high25 Ų2553.8 Ų53.813%0.13128%0.281CS..Hα-helixtrans-94.4-41.9-177.4-68.4-176.6000112.5P475 L476 A477 V481 K482 L485 D489 T492P475-L479 WeakPolarHBondContact O-CB 3.21Å; P475-L479 WeakPolarHBondContact O-CD1 3.48Å; P475-L479 WeakPolarHBondContact O-CG 3.06Å; L476-L479 PolarHBondContact O-N 2.76Å; L476-L479 VanDerWaalsContact O-N 3.08Å; A477-L479 VanDerWaalsContact C-N 3.28Å; A477-L479 PolarHBondContact O-N 2.91Å; L479-V481 PolarHBondContact O-N 3.25Å; L479-V481 VanDerWaalsContact O-N 3.09Å; L479-K482 HydrophobicContact CD2-CD 4.02Å; L479-K482 VanDerWaalsContact O-CB 3.26Å; L479-K482 WeakPolarHBondContact O-CB 3.49Å; L479-K482 VanDerWaalsContact O-CG 3.3Å; L479-K482 WeakPolarHBondContact O-CG 3.45Å; L479-K482 PolarHBondContact O-N 3.29Å; L479-L485 HydrophobicContact CB-CD2 4.42Å; L479-L485 VanDerWaalsContact O-CD2 3.23Å; L479-L485 WeakPolarHBondContact O-CD2 3.44Å; L479-D489 HydrophobicContact CD1-CB 4.09Å; L479-D489 WeakPolarHBondContact CD2-OD1 3.28Å; L479-T492 HydrophobicContact CD1-CG2 3.82Å
480I96.2Very high94.2Very high0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-64.5-18.1-173.9-158.972.9000113.8L476 L485 L538 V539 H542 H549 V552L476-I480 HydrophobicContact CD2-CB 4.31Å; L476-I480 HydrophobicContact CD2-CG2 4.24Å; L476-I480 PolarHBondContact O-N 3.2Å; I480-L485 HydrophobicContact CD1-CD1 4.43Å; I480-L538 HydrophobicContact CG2-CD1 4.14Å; I480-L538 HydrophobicContact CG2-CD2 4.27Å; I480-L538 HydrophobicContact CG2-CG 4.06Å; I480-V539 HydrophobicContact CD1-CG1 4.01Å; I480-V539 HydrophobicContact CD1-CG2 4.33Å; I480-V539 HydrophobicContact CG1-CG1 4.35Å; I480-V539 HydrophobicContact CG1-CG2 4.14Å; I480-H542 HydrophobicContact CG1-CB 3.97Å; I480-H542 WeakPolarHBondContact O-CB 3.4Å; I480-H542 VanDerWaalsContact O-CG 3.23Å; I480-H542 PolarHBondContact O-ND1 2.74Å; I480-H549 PolarHBondContact O-CD2 3.29Å; I480-H549 PolarHBondContact O-NE2 2.72Å; I480-V552 HydrophobicContact CD1-CB 4.15Å; I480-V552 HydrophobicContact CD1-CG1 4.09Å; I480-V552 HydrophobicContact CD1-CG2 4.32Å
481V94.8Very high94.3Very high13 Ų1355.2 Ų55.28%0.07929%0.288CS..THydrogen-bonded Turntrans-83.5-8.5176.4-62.10000114.3Y454 L479Y454-V481 HydrophobicContact CD1-CG2 3.97Å; Y454-V481 HydrophobicContact CD2-CB 3.76Å; Y454-V481 HydrophobicContact CD2-CG2 3.87Å; Y454-V481 HydrophobicContact CE1-CG2 3.77Å; Y454-V481 HydrophobicContact CE2-CB 3.9Å; Y454-V481 HydrophobicContact CE2-CG2 3.65Å; Y454-V481 WeakPolarHBondContact CE2-O 3.17Å; Y454-V481 HydrophobicContact CG-CB 4.09Å; Y454-V481 HydrophobicContact CG-CG2 4.02Å; L479-V481 PolarHBondContact O-N 3.25Å; L479-V481 VanDerWaalsContact O-N 3.09Å
482K93.7Very high94.5Very high66 Ų6649.7 Ų49.729%0.28727%0.265SS..SBendtrans-63156.6177.4-71.9177.1169.9-177.70111.4L479 L484 L485 D489 H549L479-K482 HydrophobicContact CD2-CD 4.02Å; L479-K482 VanDerWaalsContact O-CB 3.26Å; L479-K482 WeakPolarHBondContact O-CB 3.49Å; L479-K482 VanDerWaalsContact O-CG 3.3Å; L479-K482 WeakPolarHBondContact O-CG 3.45Å; L479-K482 PolarHBondContact O-N 3.29Å; K482-L484 WeakPolarHBondContact CB-O 3.47Å; K482-L485 HydrophobicContact CB-CD2 4.39Å; K482-L485 HydrophobicContact CD-CD2 4.46Å; K482-D489 VanDerWaalsContact NZ-CG 3.3Å; K482-D489 IonicContact NZ-OD1 2.79Å; K482-D489 PolarHBondContact NZ-OD1 3.34Å; K482-D489 IonicContact NZ-OD2 3.17Å; K482-D489 PolarHBondContact NZ-OD2 3.47Å; K482-H549 PolarHBondContact O-NE2 3.47Å
483E90.6Very high94.6Very high93 Ų9348 Ų4844%0.43525%0.251SS..SBendtrans-70.2-36174.2-165.2157.5166.200112R453R453-E483 IonicContact CZ-OE2 3.92Å; R453-E483 IonicContact NH1-OE1 2.84Å; R453-E483 IonicContact NH1-OE2 2.74Å; R453-E483 PolarHBondContact NH1-OE2 2.84Å; R453-E483 IonicContact NH2-OE2 2.65Å; R453-E483 PolarHBondContact NH2-OE2 2.84Å
484L92.3Very high94.7Very high125 Ų12550.5 Ų50.565%0.65426%0.263SS*.SBendtrans-136.7139.5177.3-59.5174.1000109K482 T546K482-L484 WeakPolarHBondContact CB-O 3.47Å; L484-T546 HydrophobicContact CD2-CG2 3.62Å
485L94.4Very high94.8Very high3 Ų353.6 Ų53.62%0.01627%0.273CS..  trans-96.5141.2168.2-59.6177.3000109.8L479 I480 K482 D489 R548 H549 V552L479-L485 HydrophobicContact CB-CD2 4.42Å; L479-L485 VanDerWaalsContact O-CD2 3.23Å; L479-L485 WeakPolarHBondContact O-CD2 3.44Å; I480-L485 HydrophobicContact CD1-CD1 4.43Å; K482-L485 HydrophobicContact CB-CD2 4.39Å; K482-L485 HydrophobicContact CD-CD2 4.46Å; L485-D489 HydrophobicContact CB-CB 4.1Å; L485-D489 HydrophobicContact CD2-CB 4.03Å; L485-R548 HydrophobicContact CB-CB 4.04Å; L485-R548 HydrophobicContact CD1-CB 4.25Å; L485-R548 WeakPolarHBondContact O-CD 3.5Å; L485-R548 PolarHBondContact O-NH1 3.03Å; L485-H549 HydrophobicContact CD1-CB 4.49Å; L485-V552 HydrophobicContact CD1-CG2 4.22Å
486T95.1Very high94.9Very high69 Ų6951.3 Ų51.342%0.42326%0.258SS..  trans-82.2173.4164.164.50000111.2E488 D489 L490T486-E488 VanDerWaalsContact C-N 3.28Å; T486-E488 PolarHBondContact OG1-N 2.93Å; T486-D489 WeakPolarHBondContact CB-OD2 3.34Å; T486-D489 WeakPolarHBondContact CG2-OD2 3.37Å; T486-D489 PolarHBondContact N-OD2 3.48Å; T486-D489 PolarHBondContact O-N 3.34Å; T486-D489 PolarHBondContact OG1-N 3.04Å; T486-D489 PolarHBondContact OG1-OD2 2.98Å; T486-L490 PolarHBondContact O-N 3.28Å
487E94.3Very high94.9Very high103 Ų10351.3 Ų51.348%0.48126%0.258SS..Hα-helixtrans-65.9-31.9170.9-65.8-60.8149.300111.9L490 L491 R548E487-L490 PolarHBondContact O-N 2.97Å; E487-L491 WeakPolarHBondContact O-CB 3.42Å; E487-L491 PolarHBondContact O-N 3.23Å; E487-R548 IonicContact OE1-CZ 3.52Å; E487-R548 IonicContact OE1-NE 2.77Å; E487-R548 PolarHBondContact OE1-NE 2.9Å; E487-R548 IonicContact OE1-NH2 3.24Å; E487-R548 PolarHBondContact OE1-NH2 3.37Å
488E95.9Very high95Very high149 Ų14956.8 Ų56.870%0.69628%0.278SS*.Hα-helixtrans-70-39.8175-174.6175.6-171.200111.7T486 L491 T492T486-E488 VanDerWaalsContact C-N 3.28Å; T486-E488 PolarHBondContact OG1-N 2.93Å; E488-L491 PolarHBondContact O-N 3.08Å; E488-T492 WeakPolarHBondContact O-CB 3.47Å; E488-T492 PolarHBondContact O-N 3.43Å; E488-T492 PolarHBondContact O-OG1 3.38Å
489D95.5Very high95.1Very high18 Ų1856 Ų5610%0.09627%0.274CS..Hα-helixtrans-60.9-45.8172.5-63.9-56000110.7L479 K482 L485 T486 L491 T492 C493L479-D489 HydrophobicContact CD1-CB 4.09Å; L479-D489 WeakPolarHBondContact CD2-OD1 3.28Å; K482-D489 VanDerWaalsContact NZ-CG 3.3Å; K482-D489 IonicContact NZ-OD1 2.79Å; K482-D489 PolarHBondContact NZ-OD1 3.34Å; K482-D489 IonicContact NZ-OD2 3.17Å; K482-D489 PolarHBondContact NZ-OD2 3.47Å; L485-D489 HydrophobicContact CB-CB 4.1Å; L485-D489 HydrophobicContact CD2-CB 4.03Å; T486-D489 WeakPolarHBondContact CB-OD2 3.34Å; T486-D489 WeakPolarHBondContact CG2-OD2 3.37Å; T486-D489 PolarHBondContact N-OD2 3.48Å; T486-D489 PolarHBondContact O-N 3.34Å; T486-D489 PolarHBondContact OG1-N 3.04Å; T486-D489 PolarHBondContact OG1-OD2 2.98Å; D489-L491 PolarHBondContact O-N 2.96Å; D489-T492 WeakPolarHBondContact O-CB 3.47Å; D489-T492 PolarHBondContact O-N 2.83Å; D489-C493 PolarHBondContact O-N 2.91Å; D489-C493 PolarHBondContact O-SG 3.47Å; D489-C493 VanDerWaalsContact O-SG 3.37Å
490L95.4Very high95Very high7 Ų754.8 Ų54.84%0.03727%0.267CS..Hα-helixtrans-59.3-47.6177.217560.1000111.7T486 E487 T492 C493 Q494 R548 R551 V552T486-L490 PolarHBondContact O-N 3.28Å; E487-L490 PolarHBondContact O-N 2.97Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 3.33Å; L490-C493 PolarHBondContact O-N 3.34Å; L490-Q494 HydrophobicContact CD1-CG 4.39Å; L490-Q494 WeakPolarHBondContact O-CG 3.4Å; L490-Q494 PolarHBondContact O-N 2.84Å; L490-R548 HydrophobicContact CD2-CG 4.31Å; L490-R551 HydrophobicContact CD1-CB 4.14Å; L490-V552 HydrophobicContact CD1-CG2 3.59Å
491L95.4Very high94.9Very high81 Ų8157 Ų5742%0.42428%0.281SS..Hα-helixtrans-61.8-36.4176.8179.962.8000111.9E487 E488 D489 Q494 K495E487-L491 WeakPolarHBondContact O-CB 3.42Å; E487-L491 PolarHBondContact O-N 3.23Å; E488-L491 PolarHBondContact O-N 3.08Å; D489-L491 PolarHBondContact O-N 2.96Å; L491-Q494 PolarHBondContact O-N 3.05Å; L491-K495 HydrophobicContact CG-CD 4.24Å; L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 VanDerWaalsContact O-CG 3.28Å; L491-K495 WeakPolarHBondContact O-CG 3.21Å; L491-K495 PolarHBondContact O-N 3.27Å
492T96.4Very high94.8Very high42 Ų4259.8 Ų59.826%0.25830%0.295SS..Hα-helixtrans-67-45.3177-59.50000111.2P475 L479 E488 D489 L490 Q494 K495 T496P475-T492 HydrophobicContact CB-CG2 3.89Å; L479-T492 HydrophobicContact CD1-CG2 3.82Å; E488-T492 WeakPolarHBondContact O-CB 3.47Å; E488-T492 PolarHBondContact O-N 3.43Å; E488-T492 PolarHBondContact O-OG1 3.38Å; D489-T492 WeakPolarHBondContact O-CB 3.47Å; D489-T492 PolarHBondContact O-N 2.83Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 3.33Å; T492-Q494 PolarHBondContact O-N 2.95Å; T492-K495 PolarHBondContact O-N 2.96Å; T492-T496 PolarHBondContact O-N 2.97Å; T492-T496 PolarHBondContact O-OG1 3.23Å
493C96.6Very high94.8Very high0 Ų058.5 Ų58.50%029%0.29CS..Hα-helixtrans-58.8-44.4172.7-67.70000112.1L476 D489 L490 T496 I497 V552L476-C493 HydrophobicContact CD1-CB 4.3Å; L476-C493 HydrophobicContact CG-CB 4.19Å; D489-C493 PolarHBondContact O-N 2.91Å; D489-C493 PolarHBondContact O-SG 3.47Å; D489-C493 VanDerWaalsContact O-SG 3.37Å; L490-C493 PolarHBondContact O-N 3.34Å; C493-T496 WeakPolarHBondContact O-CB 3.35Å; C493-T496 PolarHBondContact O-N 3.16Å; C493-I497 WeakPolarHBondContact O-CG1 3.47Å; C493-I497 PolarHBondContact O-N 3.14Å; C493-V552 HydrophobicContact CB-CG1 3.95Å; C493-V552 HydrophobicContact CB-CG2 3.77Å
494Q95.3Very high94.8Very high52 Ų5257.6 Ų57.624%0.24329%0.286CS..Hα-helixtrans-63.1-45.3177.3-71.8176.2-15.300112.4L490 L491 T492 T496 I497 Y498L490-Q494 HydrophobicContact CD1-CG 4.39Å; L490-Q494 WeakPolarHBondContact O-CG 3.4Å; L490-Q494 PolarHBondContact O-N 2.84Å; L491-Q494 PolarHBondContact O-N 3.05Å; T492-Q494 PolarHBondContact O-N 2.95Å; Q494-T496 VanDerWaalsContact C-N 3.3Å; Q494-T496 PolarHBondContact O-N 3.02Å; Q494-I497 PolarHBondContact O-N 2.92Å; Q494-I497 VanDerWaalsContact O-N 3.15Å; Q494-Y498 HydrophobicContact CB-CE2 4.19Å; Q494-Y498 WeakPolarHBondContact O-CD2 3.43Å; Q494-Y498 PolarHBondContact O-N 3.35Å
495K96.2Very high94.7Very high113 Ų11361.9 Ų61.949%0.49129%0.294SS..Hα-helixtrans-57.6-42.3173.5-75.6168.8178.5171.60111.8L491 T492 Y498 N499L491-K495 HydrophobicContact CG-CD 4.24Å; L491-K495 WeakPolarHBondContact O-CB 3.48Å; L491-K495 VanDerWaalsContact O-CG 3.28Å; L491-K495 WeakPolarHBondContact O-CG 3.21Å; L491-K495 PolarHBondContact O-N 3.27Å; T492-K495 PolarHBondContact O-N 2.96Å; K495-Y498 PolarHBondContact O-N 3.47Å; K495-N499 PolarHBondContact O-N 3.13Å; K495-N499 PolarHBondContact O-ND2 3.42Å
496T96.8Very high94.6Very high6 Ų668.1 Ų68.14%0.03732%0.321CS..Hα-helixtrans-60.1-44.7174.7-67.60000111.8A472 L476 T492 C493 Q494 Y498 N499 L500A472-T496 VanDerWaalsContact O-CG2 3.28Å; A472-T496 WeakPolarHBondContact O-CG2 3.41Å; L476-T496 HydrophobicContact CB-CG2 3.64Å; L476-T496 HydrophobicContact CD1-CG2 4.18Å; T492-T496 PolarHBondContact O-N 2.97Å; T492-T496 PolarHBondContact O-OG1 3.23Å; C493-T496 WeakPolarHBondContact O-CB 3.35Å; C493-T496 PolarHBondContact O-N 3.16Å; Q494-T496 VanDerWaalsContact C-N 3.3Å; Q494-T496 PolarHBondContact O-N 3.02Å; T496-Y498 PolarHBondContact O-N 3.39Å; T496-N499 PolarHBondContact O-N 2.98Å; T496-L500 HydrophobicContact CG2-CD1 4.49Å; T496-L500 WeakPolarHBondContact O-CG 3.36Å; T496-L500 PolarHBondContact O-N 2.87Å; T496-L500 VanDerWaalsContact O-N 3.16Å
497I95.9Very high94.2Very high0 Ų067.4 Ų67.40%032%0.319CS..Hα-helixtrans-60.8-46.5176.7-65.8159.3000111L476 C493 Q494 N499 L500 V501 W532 V552 C555 I556 C559L476-I497 HydrophobicContact CD1-CD1 4.15Å; L476-I497 HydrophobicContact CD1-CG1 3.81Å; C493-I497 WeakPolarHBondContact O-CG1 3.47Å; C493-I497 PolarHBondContact O-N 3.14Å; Q494-I497 PolarHBondContact O-N 2.92Å; Q494-I497 VanDerWaalsContact O-N 3.15Å; I497-N499 PolarHBondContact O-N 3.15Å; I497-L500 WeakPolarHBondContact O-CB 3.49Å; I497-L500 PolarHBondContact O-N 3.24Å; I497-L500 VanDerWaalsContact O-N 3.15Å; I497-V501 PolarHBondContact O-N 3.16Å; I497-V501 VanDerWaalsContact O-N 3.12Å; I497-W532 HydrophobicContact CG2-CH2 3.99Å; I497-W532 HydrophobicContact CG2-CZ3 4.18Å; I497-V552 HydrophobicContact CD1-CG1 3.97Å; I497-C555 HydrophobicContact CD1-CB 3.95Å; I497-I556 HydrophobicContact CD1-CD1 4.31Å; I497-I556 HydrophobicContact CD1-CG1 3.57Å; I497-I556 HydrophobicContact CG1-CG1 3.87Å; I497-C559 HydrophobicContact CG2-CB 3.89Å
498Y95.4Very high93.9Very high121 Ų12165 Ų6548%0.47531%0.309SS..Hα-helixtrans-65-36.4178.6-62-46.2000113Q494 K495 T496 L500 V501 D502Q494-Y498 HydrophobicContact CB-CE2 4.19Å; Q494-Y498 WeakPolarHBondContact O-CD2 3.43Å; Q494-Y498 PolarHBondContact O-N 3.35Å; K495-Y498 PolarHBondContact O-N 3.47Å; T496-Y498 PolarHBondContact O-N 3.39Å; Y498-L500 VanDerWaalsContact C-N 3.28Å; Y498-L500 PolarHBondContact O-N 3.2Å; Y498-V501 PolarHBondContact O-N 3.23Å; Y498-D502 PolarHBondContact O-N 2.95Å
499N94.9Very high93.5Very high90 Ų9062.4 Ų62.448%0.48131%0.305SS..Hα-helixtrans-60.7-37.9173.1-69.4-19.5000111.9K495 T496 I497 D502 M503K495-N499 PolarHBondContact O-N 3.13Å; K495-N499 PolarHBondContact O-ND2 3.42Å; T496-N499 PolarHBondContact O-N 2.98Å; I497-N499 PolarHBondContact O-N 3.15Å; N499-D502 PolarHBondContact O-N 3.37Å; N499-M503 WeakPolarHBondContact O-CG 3.48Å; N499-M503 PolarHBondContact O-N 3.4Å
500L94.3Very high93.2Very high0 Ų062.3 Ų62.30%030%0.304CS..Hα-helixtrans-68.5-37.3176.6-64.6170.2000112.3M470 A472 V473 T496 I497 Y498 D502 M503 E504 M531 W532 L535M470-L500 HydrophobicContact CE-CD2 3.47Å; M470-L500 VanDerWaalsContact CE-CD2 3.47Å; A472-L500 HydrophobicContact CB-CD2 4.34Å; V473-L500 HydrophobicContact CG2-CD1 4.21Å; V473-L500 HydrophobicContact CG2-CD2 4Å; T496-L500 HydrophobicContact CG2-CD1 4.49Å; T496-L500 WeakPolarHBondContact O-CG 3.36Å; T496-L500 PolarHBondContact O-N 2.87Å; T496-L500 VanDerWaalsContact O-N 3.16Å; I497-L500 WeakPolarHBondContact O-CB 3.49Å; I497-L500 PolarHBondContact O-N 3.24Å; I497-L500 VanDerWaalsContact O-N 3.15Å; Y498-L500 VanDerWaalsContact C-N 3.28Å; Y498-L500 PolarHBondContact O-N 3.2Å; L500-D502 VanDerWaalsContact C-N 3.32Å; L500-M503 HydrophobicContact CD2-SD 4.19Å; L500-M503 PolarHBondContact O-N 3.17Å; L500-E504 PolarHBondContact O-N 3.41Å; L500-M531 HydrophobicContact CB-CE 4.37Å; L500-M531 HydrophobicContact CD1-SD 4.24Å; L500-M531 HydrophobicContact CD2-CE 4.49Å; L500-M531 HydrophobicContact CD2-SD 4.44Å; L500-W532 HydrophobicContact CB-CH2 3.74Å; L500-W532 HydrophobicContact CB-CZ2 3.89Å; L500-W532 HydrophobicContact CD1-CH2 4.31Å; L500-W532 HydrophobicContact CD1-CZ3 4.39Å; L500-L535 HydrophobicContact CD1-CD2 3.54Å
501V94.1Very high92.6Very high47 Ų4764.8 Ų64.829%0.28532%0.321SS..Hα-helixtrans-62-40.8172175.80000111I497 Y498 E504 R505 W532 C559I497-V501 PolarHBondContact O-N 3.16Å; I497-V501 VanDerWaalsContact O-N 3.12Å; Y498-V501 PolarHBondContact O-N 3.23Å; V501-E504 PolarHBondContact O-N 3.46Å; V501-R505 WeakPolarHBondContact O-CB 3.36Å; V501-R505 PolarHBondContact O-N 3.18Å; V501-W532 HydrophobicContact CG2-CH2 4.01Å; V501-W532 HydrophobicContact CG2-CZ2 3.81Å; V501-C559 HydrophobicContact CG2-CB 3.72Å
502D92.8Very high91.7Very high71 Ų7162.5 Ų62.538%0.3831%0.309SS..Hα-helixtrans-68-34.6175.8-93.4-12.9000112.9Y498 N499 L500 K506Y498-D502 PolarHBondContact O-N 2.95Å; N499-D502 PolarHBondContact O-N 3.37Å; L500-D502 VanDerWaalsContact C-N 3.32Å; D502-K506 VanDerWaalsContact O-CD 3.32Å; D502-K506 WeakPolarHBondContact O-CD 3.24Å; D502-K506 VanDerWaalsContact O-CG 3.22Å; D502-K506 WeakPolarHBondContact O-CG 3.49Å; D502-K506 PolarHBondContact O-N 3.01Å; D502-K506 VanDerWaalsContact O-N 3.13Å
503M92.3Very high90.4Very high38 Ų3862.8 Ų62.819%0.18731%0.313CS..Hα-helixtrans-65.5-44.3172.2-72.6175.764.400111.7M470 A472 N499 L500 R505 K506 S507 D508 L510 Y528M470-M503 HydrophobicContact CE-CE 3.97Å; A472-M503 HydrophobicContact CB-SD 3.98Å; N499-M503 WeakPolarHBondContact O-CG 3.48Å; N499-M503 PolarHBondContact O-N 3.4Å; L500-M503 HydrophobicContact CD2-SD 4.19Å; L500-M503 PolarHBondContact O-N 3.17Å; M503-R505 PolarHBondContact O-N 2.96Å; M503-K506 CarbonylContact O-C 3.49Å; M503-K506 PolarHBondContact O-N 3.24Å; M503-S507 PolarHBondContact O-N 3.24Å; M503-D508 HydrophobicContact CB-CB 4.2Å; M503-D508 HydrophobicContact CE-CB 4.42Å; M503-D508 PolarHBondContact O-N 2.77Å; M503-L510 HydrophobicContact CE-CD2 4.17Å; M503-Y528 HydrophobicContact CB-CE1 4.27Å; M503-Y528 PolarHBondContact O-OH 2.89Å
504E92.1Very high88.7Confident75 Ų7566.8 Ų66.835%0.3534%0.337SS..Hα-helixtrans-60.7-45.5175.4-174.9169.2-160.300111.4L500 V501 K506 S507 Y528 W532L500-E504 PolarHBondContact O-N 3.41Å; V501-E504 PolarHBondContact O-N 3.46Å; E504-K506 VanDerWaalsContact C-N 3.25Å; E504-K506 PolarHBondContact O-N 3.39Å; E504-S507 WeakPolarHBondContact O-CA 3.15Å; E504-S507 PolarHBondContact O-N 3.44Å; E504-Y528 VanDerWaalsContact CA-CE1 3.43Å; E504-Y528 HydrophobicContact CB-CD1 3.47Å; E504-Y528 VanDerWaalsContact CB-CD1 3.47Å; E504-Y528 HydrophobicContact CB-CE1 3.64Å; E504-Y528 HydrophobicContact CB-CG 3.97Å; E504-Y528 HydrophobicContact CG-CD1 3.73Å; E504-Y528 HydrophobicContact CG-CD2 4.24Å; E504-Y528 HydrophobicContact CG-CE1 4.31Å; E504-Y528 HydrophobicContact CG-CG 3.71Å; E504-Y528 WeakPolarHBondContact OE1-CB 3.34Å; E504-W532 PolarHBondContact OE2-NE1 3.33Å
505R90.1Very high86.7Confident215 Ų21570.1 Ų70.181%0.81136%0.361SS*.Hα-helixtrans-60.3-32.3176.3-177.4-179.9176-171.30.1113.2V501 M503 S507V501-R505 WeakPolarHBondContact O-CB 3.36Å; V501-R505 PolarHBondContact O-N 3.18Å; M503-R505 PolarHBondContact O-N 2.96Å; R505-S507 VanDerWaalsContact C-N 3.35Å
506K90.8Very high84.7Confident134 Ų13468.5 Ų68.558%0.58338%0.376SS*.Hα-helixtrans-83-11.4174.2-68.4163.4-167.1161.90113D502 M503 E504 D508D502-K506 VanDerWaalsContact O-CD 3.32Å; D502-K506 WeakPolarHBondContact O-CD 3.24Å; D502-K506 VanDerWaalsContact O-CG 3.22Å; D502-K506 WeakPolarHBondContact O-CG 3.49Å; D502-K506 PolarHBondContact O-N 3.01Å; D502-K506 VanDerWaalsContact O-N 3.13Å; M503-K506 CarbonylContact O-C 3.49Å; M503-K506 PolarHBondContact O-N 3.24Å; E504-K506 VanDerWaalsContact C-N 3.25Å; E504-K506 PolarHBondContact O-N 3.39Å; K506-D508 VanDerWaalsContact C-N 3.26Å; K506-D508 WeakPolarHBondContact CB-OD1 3.38Å
507S86.9Confident82.5Confident54 Ų5472.2 Ų72.238%0.37840%0.402SS..THydrogen-bonded Turntrans58.835.9-171-153.30000113.2M503 E504 R505 R524M503-S507 PolarHBondContact O-N 3.24Å; E504-S507 WeakPolarHBondContact O-CA 3.15Å; E504-S507 PolarHBondContact O-N 3.44Å; R505-S507 VanDerWaalsContact C-N 3.35Å; S507-R524 PolarHBondContact O-NE 3.5Å; S507-R524 WeakPolarHBondContact OG-CB 3.46Å; S507-R524 WeakPolarHBondContact OG-CG 3.38Å
508D89.6Confident80Confident53 Ų5384.7 Ų84.728%0.28345%0.45SS..PPolyproline II helixtrans-60148.2-178.1-72.5-25.2000111.2M503 K506 Y528M503-D508 HydrophobicContact CB-CB 4.2Å; M503-D508 HydrophobicContact CE-CB 4.42Å; M503-D508 PolarHBondContact O-N 2.77Å; K506-D508 VanDerWaalsContact C-N 3.26Å; K506-D508 WeakPolarHBondContact CB-OD1 3.38Å; D508-Y528 PolarHBondContact N-OH 2.83Å; D508-Y528 WeakPolarHBondContact O-CE2 3.38Å; D508-Y528 PolarHBondContact O-OH 2.97Å
509P87.5Confident78.2Confident93 Ų9381.8 Ų81.860%0.60446%0.456SS*.PPolyproline II helixtrans-65.3133.2177.923.8-31.5000113.7R524P509-R524 VanDerWaalsContact CA-CZ 3.48Å
510L87.8Confident76.3Confident16 Ų1687.8 Ų87.88%0.08448%0.478CS..PPolyproline II helixtrans-102.4144.9171.5-60.1-171.7000111.8T466 M470 M503 I512 Q527 Y528 M531T466-L510 HydrophobicContact CG2-CB 4.32Å; M470-L510 HydrophobicContact CE-CD2 3.58Å; M470-L510 HydrophobicContact SD-CD2 3.92Å; M503-L510 HydrophobicContact CE-CD2 4.17Å; L510-I512 HydrophobicContact CB-CD1 4.14Å; L510-I512 HydrophobicContact CB-CG1 4.19Å; L510-I512 HydrophobicContact CD1-CD1 4.45Å; L510-I512 PolarHBondContact O-N 3.36Å; L510-Q527 HydrophobicContact CD1-CB 4.27Å; L510-Y528 HydrophobicContact CD1-CD1 3.89Å; L510-Y528 HydrophobicContact CD1-CD2 4.01Å; L510-Y528 HydrophobicContact CD1-CE1 3.9Å; L510-Y528 HydrophobicContact CD1-CE2 4Å; L510-Y528 HydrophobicContact CD1-CG 3.93Å; L510-Y528 HydrophobicContact CD2-CE1 3.86Å; L510-Y528 HydrophobicContact CD2-CE2 4.35Å; L510-Y528 WeakPolarHBondContact CD2-OH 3.4Å; L510-Y528 HydrophobicContact CG-CD2 4.4Å; L510-Y528 HydrophobicContact CG-CE1 4.12Å; L510-Y528 HydrophobicContact CG-CE2 3.91Å; L510-M531 HydrophobicContact CD1-CB 3.77Å; L510-M531 HydrophobicContact CD1-CG 4.07Å
511P83.4Confident74.8Confident59 Ų5989.7 Ų89.738%0.38350%0.497SS..  trans-81.162.3-179.635.5-37000111.8N469 M470N469-P511 HydrophobicContact CB-CB 4.04Å; N469-P511 HydrophobicContact CB-CG 3.7Å; M470-P511 HydrophobicContact CG-CG 3.61Å
512I76.6Confident73.8Confident33 Ų3389.6 Ų89.617%0.16950%0.498CS..  trans-89.1128.5179.2-67.4169.5000110T466 L510 T514 Q527T466-I512 HydrophobicContact CG2-CD1 4.15Å; T466-I512 HydrophobicContact CG2-CG1 3.45Å; T466-I512 VanDerWaalsContact CG2-CG1 3.45Å; L510-I512 HydrophobicContact CB-CD1 4.14Å; L510-I512 HydrophobicContact CB-CG1 4.19Å; L510-I512 HydrophobicContact CD1-CD1 4.45Å; L510-I512 PolarHBondContact O-N 3.36Å; I512-T514 PolarHBondContact O-N 3.15Å; I512-Q527 VanDerWaalsContact CD1-CA 3.44Å; I512-Q527 HydrophobicContact CD1-CB 3.36Å; I512-Q527 HydrophobicContact CD1-CG 3.61Å
513S68.1Low73.4Confident49 Ų4994 Ų9434%0.34351%0.514SS..  trans-72.7124.2177.4-171.80000111.7S463 V515S463-S513 VanDerWaalsContact CB-OG 3.31Å; S463-S513 WeakPolarHBondContact CB-OG 3.48Å; S513-V515 VanDerWaalsContact OG-CG2 3.27Å; S513-V515 WeakPolarHBondContact OG-CG2 3.28Å
514T61.1Low73Confident84 Ų8496.4 Ų96.452%0.51552%0.521SS..  trans-99.619.5177.358.50000112.9I512 G516 S517I512-T514 PolarHBondContact O-N 3.15Å; T514-G516 PolarHBondContact O-N 3.12Å; T514-S517 PolarHBondContact O-N 3.16Å; T514-S517 VanDerWaalsContact O-N 3.15Å
515V53.5Low72.7Confident122 Ų12298.6 Ų98.674%0.73954%0.535SS*.THydrogen-bonded Turntrans-56.9125.5-177.6172.70000110.4S513S513-V515 VanDerWaalsContact OG-CG2 3.27Å; S513-V515 WeakPolarHBondContact OG-CG2 3.28Å
516G54Low72.6Confident79 Ų7991.5 Ų91.581%0.81451%0.511SS*.THydrogen-bonded Turntrans90.5-15.5-179.800000116.2T514 R518T514-G516 PolarHBondContact O-N 3.12Å; G516-R518 PolarHBondContact O-N 3.01Å
517S50.7Low72.4Confident84 Ų8486.4 Ų86.459%0.58749%0.489SS*.  trans-87.994.4-177.6-69.30000112.9T514 G519T514-S517 PolarHBondContact O-N 3.16Å; T514-S517 VanDerWaalsContact O-N 3.15Å; S517-G519 VanDerWaalsContact C-N 3.32Å; S517-G519 PolarHBondContact O-N 3.37Å
518R43.7Very low72.6Confident262 Ų26284 Ų8499%0.98947%0.471SS*.  trans-71.884.6164.5-82.5-173.2173.2176.7-1110.3G516G516-R518 PolarHBondContact O-N 3.01Å
519G58.6Low72.7Confident60 Ų6087.2 Ų87.262%0.61948%0.48SS*.SBendtrans177.2-178.9176.900000113.4S517 G521S517-G519 VanDerWaalsContact C-N 3.32Å; S517-G519 PolarHBondContact O-N 3.37Å; G519-G521 PolarHBondContact O-N 3.41Å
520K55.5Low72.8Confident216 Ų21685.6 Ų85.694%0.93947%0.465SS*.SBendtrans-65.9121.9165.6-68.5-176.6179.4-179.60107.7
521G62.8Low73.1Confident39 Ų3984.8 Ų84.840%0.40246%0.461SS..PPolyproline II helixtrans-59.4167.8-179.900000113.5G519G519-G521 PolarHBondContact O-N 3.41Å
522P72.5Confident73.6Confident45 Ų4582.3 Ų82.329%0.29244%0.444SS..PPolyproline II helixtrans-54.8141.3-177.821.4-32.4000111.8E526 Q527P522-E526 HydrophobicContact CB-CB 4.09Å; P522-E526 HydrophobicContact CB-CG 3.78Å; P522-Q527 HydrophobicContact CB-CG 4.43Å; P522-Q527 HydrophobicContact CG-CG 4.22Å; P522-Q527 PolarHBondContact O-NE2 3.26Å
523K83.6Confident74.4Confident164 Ų16483 Ų8371%0.71345%0.448SS*.PPolyproline II helixtrans-57.9153.7176.2-67.2-178.8178.7179.20110.6D525 E526 Q527K523-D525 VanDerWaalsContact C-N 3.26Å; K523-D525 PolarHBondContact O-N 2.98Å; K523-E526 WeakPolarHBondContact O-CA 3.44Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.38Å; K523-Q527 WeakPolarHBondContact O-CG 3.37Å; K523-Q527 PolarHBondContact O-N 3.02Å
524R84.9Confident75.7Confident89 Ų8981.4 Ų81.434%0.33644%0.435SS..Hα-helixtrans-48.9-45178-80.6-71.2-161.8-109.7-7.9113.4S507 P509 E526 Q527 Y528S507-R524 PolarHBondContact O-NE 3.5Å; S507-R524 WeakPolarHBondContact OG-CB 3.46Å; S507-R524 WeakPolarHBondContact OG-CG 3.38Å; P509-R524 VanDerWaalsContact CA-CZ 3.48Å; R524-E526 VanDerWaalsContact C-N 3.26Å; R524-E526 PolarHBondContact O-N 3.49Å; R524-Q527 WeakPolarHBondContact O-CA 3.36Å; R524-Q527 VanDerWaalsContact O-CB 3.29Å; R524-Q527 WeakPolarHBondContact O-CB 3.48Å; R524-Q527 PolarHBondContact O-N 3.41Å; R524-Y528 WeakPolarHBondContact O-CD2 3.01Å; R524-Y528 PolarHBondContact O-N 3.45Å
525D85.7Confident77.4Confident120 Ų12077.4 Ų77.464%0.64241%0.411SS*.Hα-helixtrans-59.6-38.5178.8-35.3-46000111.9K523 R529K523-D525 VanDerWaalsContact C-N 3.26Å; K523-D525 PolarHBondContact O-N 2.98Å; D525-R529 WeakPolarHBondContact O-CB 3.44Å; D525-R529 PolarHBondContact O-N 3.49Å
526E86.8Confident79.3Confident66 Ų6672.7 Ų72.731%0.30838%0.381SS..Hα-helixtrans-72.1-34.1176-178.660-162.300111.9P522 K523 R524 R529 I530P522-E526 HydrophobicContact CB-CB 4.09Å; P522-E526 HydrophobicContact CB-CG 3.78Å; K523-E526 WeakPolarHBondContact O-CA 3.44Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.38Å; R524-E526 VanDerWaalsContact C-N 3.26Å; R524-E526 PolarHBondContact O-N 3.49Å; E526-R529 PolarHBondContact O-N 2.93Å; E526-R529 IonicContact OE1-CZ 2.74Å; E526-R529 IonicContact OE1-NE 2.72Å; E526-R529 PolarHBondContact OE1-NE 3.32Å; E526-R529 IonicContact OE1-NH2 3.46Å; E526-R529 PolarHBondContact OE1-NH2 3.09Å; E526-R529 IonicContact OE2-CZ 2.64Å; E526-R529 IonicContact OE2-NE 3.82Å; E526-R529 PolarHBondContact OE2-NE 3.22Å; E526-R529 IonicContact OE2-NH2 3.85Å; E526-I530 HydrophobicContact CG-CD1 4.23Å; E526-I530 VanDerWaalsContact O-CG1 3.31Å; E526-I530 WeakPolarHBondContact O-CG1 3.33Å; E526-I530 PolarHBondContact O-N 3.2Å
527Q87.8Confident81.3Confident27 Ų2772.1 Ų72.113%0.12636%0.361CS..Hα-helixtrans-61.4-49.3174.3-65.4-175.8-2.200111.3L510 I512 P522 K523 R524 I530 M531L510-Q527 HydrophobicContact CD1-CB 4.27Å; I512-Q527 VanDerWaalsContact CD1-CA 3.44Å; I512-Q527 HydrophobicContact CD1-CB 3.36Å; I512-Q527 HydrophobicContact CD1-CG 3.61Å; P522-Q527 HydrophobicContact CB-CG 4.43Å; P522-Q527 HydrophobicContact CG-CG 4.22Å; P522-Q527 PolarHBondContact O-NE2 3.26Å; K523-Q527 WeakPolarHBondContact O-CG 3.37Å; K523-Q527 PolarHBondContact O-N 3.02Å; R524-Q527 WeakPolarHBondContact O-CA 3.36Å; R524-Q527 VanDerWaalsContact O-CB 3.29Å; R524-Q527 WeakPolarHBondContact O-CB 3.48Å; R524-Q527 PolarHBondContact O-N 3.41Å; Q527-I530 PolarHBondContact O-N 3.32Å; Q527-M531 PolarHBondContact O-N 2.71Å; Q527-M531 VanDerWaalsContact O-N 3.09Å
528Y90.9Very high83.5Confident3 Ų368.2 Ų68.21%0.01233%0.334CS..Hα-helixtrans-67.8-35.7176-80.1-86.5000112.3M503 E504 D508 L510 R524 I530 M531 W532M503-Y528 HydrophobicContact CB-CE1 4.27Å; M503-Y528 PolarHBondContact O-OH 2.89Å; E504-Y528 VanDerWaalsContact CA-CE1 3.43Å; E504-Y528 HydrophobicContact CB-CD1 3.47Å; E504-Y528 VanDerWaalsContact CB-CD1 3.47Å; E504-Y528 HydrophobicContact CB-CE1 3.64Å; E504-Y528 HydrophobicContact CB-CG 3.97Å; E504-Y528 HydrophobicContact CG-CD1 3.73Å; E504-Y528 HydrophobicContact CG-CD2 4.24Å; E504-Y528 HydrophobicContact CG-CE1 4.31Å; E504-Y528 HydrophobicContact CG-CG 3.71Å; E504-Y528 WeakPolarHBondContact OE1-CB 3.34Å; D508-Y528 PolarHBondContact N-OH 2.83Å; D508-Y528 WeakPolarHBondContact O-CE2 3.38Å; D508-Y528 PolarHBondContact O-OH 2.97Å; L510-Y528 HydrophobicContact CD1-CD1 3.89Å; L510-Y528 HydrophobicContact CD1-CD2 4.01Å; L510-Y528 HydrophobicContact CD1-CE1 3.9Å; L510-Y528 HydrophobicContact CD1-CE2 4Å; L510-Y528 HydrophobicContact CD1-CG 3.93Å; L510-Y528 HydrophobicContact CD2-CE1 3.86Å; L510-Y528 HydrophobicContact CD2-CE2 4.35Å; L510-Y528 WeakPolarHBondContact CD2-OH 3.4Å; L510-Y528 HydrophobicContact CG-CD2 4.4Å; L510-Y528 HydrophobicContact CG-CE1 4.12Å; L510-Y528 HydrophobicContact CG-CE2 3.91Å; R524-Y528 WeakPolarHBondContact O-CD2 3.01Å; R524-Y528 PolarHBondContact O-N 3.45Å; Y528-I530 VanDerWaalsContact C-N 3.34Å; Y528-I530 PolarHBondContact O-N 3.17Å; Y528-M531 HydrophobicContact CD1-CE 3.84Å; Y528-M531 HydrophobicContact CE1-CE 4.37Å; Y528-M531 PolarHBondContact O-N 3.26Å; Y528-W532 PolarHBondContact O-N 3.02Å
529R90.8Very high85.9Confident122 Ų12255.7 Ų55.746%0.4629%0.287SS..Hα-helixtrans-58.4-43.2173-166-173.575.583.45.9112.4D525 E526 N533D525-R529 WeakPolarHBondContact O-CB 3.44Å; D525-R529 PolarHBondContact O-N 3.49Å; E526-R529 PolarHBondContact O-N 2.93Å; E526-R529 IonicContact OE1-CZ 2.74Å; E526-R529 IonicContact OE1-NE 2.72Å; E526-R529 PolarHBondContact OE1-NE 3.32Å; E526-R529 IonicContact OE1-NH2 3.46Å; E526-R529 PolarHBondContact OE1-NH2 3.09Å; E526-R529 IonicContact OE2-CZ 2.64Å; E526-R529 IonicContact OE2-NE 3.82Å; E526-R529 PolarHBondContact OE2-NE 3.22Å; E526-R529 IonicContact OE2-NH2 3.85Å; R529-N533 VanDerWaalsContact O-CG 3.28Å; R529-N533 PolarHBondContact O-N 3.45Å; R529-N533 VanDerWaalsContact O-N 3.14Å; R529-N533 PolarHBondContact O-ND2 3.42Å
530I90.2Very high87.7Confident58 Ų5858 Ų5830%0.29728%0.28SS..Hα-helixtrans-65.2-49.1176.7-69164.4000110.3E526 Q527 Y528 W532 N533 E534E526-I530 HydrophobicContact CG-CD1 4.23Å; E526-I530 VanDerWaalsContact O-CG1 3.31Å; E526-I530 WeakPolarHBondContact O-CG1 3.33Å; E526-I530 PolarHBondContact O-N 3.2Å; Q527-I530 PolarHBondContact O-N 3.32Å; Y528-I530 VanDerWaalsContact C-N 3.34Å; Y528-I530 PolarHBondContact O-N 3.17Å; I530-W532 PolarHBondContact O-N 2.79Å; I530-N533 PolarHBondContact O-N 2.95Å; I530-E534 PolarHBondContact O-N 2.88Å
531M93.9Very high89.5Confident0 Ų050.1 Ų50.10%025%0.25CC..Hα-helixtrans-56.7-47.4178.5-175.6-74.6-63.200112.3T466 I467 M470 L500 L510 Q527 Y528 E534 L535T466-M531 HydrophobicContact CG2-CB 4.23Å; T466-M531 HydrophobicContact CG2-CG 4.29Å; I467-M531 HydrophobicContact CG2-CG 4.02Å; I467-M531 HydrophobicContact CG2-SD 4.23Å; M470-M531 HydrophobicContact CE-CG 4.32Å; M470-M531 HydrophobicContact SD-CG 3.76Å; L500-M531 HydrophobicContact CB-CE 4.37Å; L500-M531 HydrophobicContact CD1-SD 4.24Å; L500-M531 HydrophobicContact CD2-CE 4.49Å; L500-M531 HydrophobicContact CD2-SD 4.44Å; L510-M531 HydrophobicContact CD1-CB 3.77Å; L510-M531 HydrophobicContact CD1-CG 4.07Å; Q527-M531 PolarHBondContact O-N 2.71Å; Q527-M531 VanDerWaalsContact O-N 3.09Å; Y528-M531 HydrophobicContact CD1-CE 3.84Å; Y528-M531 HydrophobicContact CE1-CE 4.37Å; Y528-M531 PolarHBondContact O-N 3.26Å; M531-E534 WeakPolarHBondContact O-CB 3.34Å; M531-E534 PolarHBondContact O-N 3.07Å; M531-L535 WeakPolarHBondContact O-CB 3.36Å; M531-L535 PolarHBondContact O-N 3.33Å
532W94.8Very high91Very high6 Ų648.4 Ų48.42%0.02323%0.231CC..Hα-helixtrans-65.2-39.1177.8-77.7123.2000113.2I497 L500 V501 E504 Y528 I530 E534 L535 E536 I556I497-W532 HydrophobicContact CG2-CH2 3.99Å; I497-W532 HydrophobicContact CG2-CZ3 4.18Å; L500-W532 HydrophobicContact CB-CH2 3.74Å; L500-W532 HydrophobicContact CB-CZ2 3.89Å; L500-W532 HydrophobicContact CD1-CH2 4.31Å; L500-W532 HydrophobicContact CD1-CZ3 4.39Å; V501-W532 HydrophobicContact CG2-CH2 4.01Å; V501-W532 HydrophobicContact CG2-CZ2 3.81Å; E504-W532 PolarHBondContact OE2-NE1 3.33Å; Y528-W532 PolarHBondContact O-N 3.02Å; I530-W532 PolarHBondContact O-N 2.79Å; W532-E534 VanDerWaalsContact C-N 3.3Å; W532-E534 PolarHBondContact O-N 3.29Å; W532-L535 HydrophobicContact CE3-CD2 3.95Å; W532-L535 HydrophobicContact CZ3-CD2 3.73Å; W532-E536 WeakPolarHBondContact O-CB 3.5Å; W532-E536 PolarHBondContact O-N 3.39Å; W532-I556 HydrophobicContact CE3-CG2 4.12Å; W532-I556 HydrophobicContact CZ3-CG2 4.31Å
533N93.6Very high91.9Very high48 Ų4846.6 Ų46.626%0.25722%0.22SC..Hα-helixtrans-61.4-40.7173.8-75.8-43.8000111.7R529 I530 T537 R560R529-N533 VanDerWaalsContact O-CG 3.28Å; R529-N533 PolarHBondContact O-N 3.45Å; R529-N533 VanDerWaalsContact O-N 3.14Å; R529-N533 PolarHBondContact O-ND2 3.42Å; I530-N533 PolarHBondContact O-N 2.95Å; N533-T537 WeakPolarHBondContact O-CB 3.22Å; N533-T537 PolarHBondContact O-N 3.11Å; N533-T537 PolarHBondContact O-OG1 3.49Å; N533-R560 VanDerWaalsContact OD1-CZ 3.29Å; N533-R560 PolarHBondContact OD1-NH1 2.94Å; N533-R560 VanDerWaalsContact OD1-NH1 3.09Å; N533-R560 PolarHBondContact OD1-NH2 3.47Å
534E95.3Very high92.1Very high15 Ų1542.8 Ų42.87%0.0723%0.227CC..Hα-helixtrans-67.8-47179.8-160.6-168.1167.800111.4Y457 T465 T466 I467 I530 M531 W532 E536 T537 L538Y457-E534 HydrophobicContact CE1-CG 4.03Å; Y457-E534 WeakPolarHBondContact OH-CG 3.35Å; Y457-E534 PolarHBondContact OH-OE1 3.2Å; T465-E534 WeakPolarHBondContact CA-OE1 3.46Å; T465-E534 WeakPolarHBondContact CB-OE1 3.38Å; T465-E534 PolarHBondContact OG1-OE1 3.26Å; T466-E534 VanDerWaalsContact CA-OE2 3.31Å; T466-E534 WeakPolarHBondContact CA-OE2 3.47Å; T466-E534 WeakPolarHBondContact CB-OE2 3.45Å; T466-E534 PolarHBondContact N-OE1 2.84Å; T466-E534 PolarHBondContact N-OE2 2.79Å; T466-E534 PolarHBondContact OG1-OE2 2.95Å; I467-E534 HydrophobicContact CD1-CB 4.45Å; I467-E534 HydrophobicContact CD1-CG 3.96Å; I467-E534 HydrophobicContact CG1-CG 4.15Å; I467-E534 HydrophobicContact CG2-CB 4.01Å; I467-E534 HydrophobicContact CG2-CG 4.28Å; I467-E534 PolarHBondContact N-OE2 3.37Å; I530-E534 PolarHBondContact O-N 2.88Å; M531-E534 WeakPolarHBondContact O-CB 3.34Å; M531-E534 PolarHBondContact O-N 3.07Å; W532-E534 VanDerWaalsContact C-N 3.3Å; W532-E534 PolarHBondContact O-N 3.29Å; E534-E536 PolarHBondContact O-N 2.89Å; E534-T537 WeakPolarHBondContact O-CB 3.39Å; E534-T537 PolarHBondContact O-N 2.99Å; E534-T537 VanDerWaalsContact O-N 3.14Å; E534-L538 PolarHBondContact O-N 2.94Å
535L95.3Very high92.3Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-62-42.7176.9-17364000111.9I467 V473 L476 L500 M531 W532 T537 L538 V539 I556I467-L535 HydrophobicContact CD1-CD1 4.37Å; I467-L535 HydrophobicContact CG2-CB 4.09Å; V473-L535 HydrophobicContact CG1-CD1 3.78Å; L476-L535 HydrophobicContact CD1-CD1 4.33Å; L476-L535 HydrophobicContact CD2-CD1 3.85Å; L500-L535 HydrophobicContact CD1-CD2 3.54Å; M531-L535 WeakPolarHBondContact O-CB 3.36Å; M531-L535 PolarHBondContact O-N 3.33Å; W532-L535 HydrophobicContact CE3-CD2 3.95Å; W532-L535 HydrophobicContact CZ3-CD2 3.73Å; L535-T537 VanDerWaalsContact C-N 3.29Å; L535-T537 PolarHBondContact O-N 3.34Å; L535-L538 PolarHBondContact O-N 3.2Å; L535-V539 WeakPolarHBondContact O-CG2 3.46Å; L535-V539 PolarHBondContact O-N 3.29Å; L535-I556 HydrophobicContact CD2-CD1 4.17Å; L535-I556 HydrophobicContact CG-CD1 3.95Å
536E95.2Very high92.6Very high24 Ų2436.7 Ų36.711%0.11221%0.209CC..Hα-helixtrans-64-35.9175.1-169.3-176.4123.400111.6W532 E534 V539 K540 L553 I556 R560W532-E536 WeakPolarHBondContact O-CB 3.5Å; W532-E536 PolarHBondContact O-N 3.39Å; E534-E536 PolarHBondContact O-N 2.89Å; E536-V539 PolarHBondContact O-N 3.01Å; E536-K540 HydrophobicContact CG-CD 4.06Å; E536-K540 HydrophobicContact CG-CG 4.45Å; E536-K540 VanDerWaalsContact O-CB 3.24Å; E536-K540 WeakPolarHBondContact O-CB 3.32Å; E536-K540 WeakPolarHBondContact O-CG 3.5Å; E536-K540 PolarHBondContact O-N 3.28Å; E536-K540 VanDerWaalsContact OE1-CE 3.28Å; E536-K540 WeakPolarHBondContact OE1-CE 3.39Å; E536-K540 IonicContact OE1-NZ 3.58Å; E536-K540 PolarHBondContact OE1-NZ 3.49Å; E536-L553 HydrophobicContact CG-CD1 3.97Å; E536-I556 HydrophobicContact CB-CG2 4.18Å; E536-I556 HydrophobicContact CG-CG2 4.4Å; E536-R560 IonicContact OE1-NH1 3.43Å; E536-R560 WeakPolarHBondContact OE2-CD 3.31Å; E536-R560 IonicContact OE2-CZ 3.56Å; E536-R560 IonicContact OE2-NE 2.75Å; E536-R560 IonicContact OE2-NH1 3.54Å; E536-R560 PolarHBondContact OE2-NH1 2.97Å
537T95.6Very high92.9Very high66 Ų6639.7 Ų39.741%0.40523%0.227SC..Hα-helixtrans-64.5-46.8174.6-59.20000111.1Y457 N533 E534 L535 K540 T541Y457-T537 HydrophobicContact CD2-CG2 4Å; Y457-T537 HydrophobicContact CE2-CG2 4.02Å; N533-T537 WeakPolarHBondContact O-CB 3.22Å; N533-T537 PolarHBondContact O-N 3.11Å; N533-T537 PolarHBondContact O-OG1 3.49Å; E534-T537 WeakPolarHBondContact O-CB 3.39Å; E534-T537 PolarHBondContact O-N 2.99Å; E534-T537 VanDerWaalsContact O-N 3.14Å; L535-T537 VanDerWaalsContact C-N 3.29Å; L535-T537 PolarHBondContact O-N 3.34Å; T537-K540 PolarHBondContact O-N 3.12Å; T537-T541 PolarHBondContact O-N 3.47Å
538L95.4Very high93.2Very high2 Ų242.5 Ų42.51%0.0124%0.237CC..Hα-helixtrans-57.8-48.7173.917161.3000111.5Y457 I467 F468 A477 I480 E534 L535 K540 T541 H542Y457-L538 HydrophobicContact CD1-CB 3.86Å; Y457-L538 HydrophobicContact CD1-CD1 4.11Å; Y457-L538 HydrophobicContact CD1-CG 4.48Å; Y457-L538 HydrophobicContact CE1-CB 4.5Å; Y457-L538 HydrophobicContact CG-CB 4.42Å; Y457-L538 HydrophobicContact CG-CD1 4.49Å; I467-L538 HydrophobicContact CD1-CB 3.96Å; I467-L538 HydrophobicContact CD1-CD2 3.74Å; F468-L538 HydrophobicContact CZ-CD1 4.43Å; F468-L538 HydrophobicContact CZ-CD2 4.22Å; A477-L538 HydrophobicContact CB-CD2 4.22Å; I480-L538 HydrophobicContact CG2-CD1 4.14Å; I480-L538 HydrophobicContact CG2-CD2 4.27Å; I480-L538 HydrophobicContact CG2-CG 4.06Å; E534-L538 PolarHBondContact O-N 2.94Å; L535-L538 PolarHBondContact O-N 3.2Å; L538-K540 PolarHBondContact O-N 2.91Å; L538-T541 PolarHBondContact O-OG1 3.09Å; L538-H542 PolarHBondContact O-CD2 3.38Å
539V95.8Very high93.4Very high0 Ų042.4 Ų42.40%024%0.236CC..Hα-helixtrans-70.6-34.6-177.3178.20000112L476 I480 L535 E536 T541 H542 A543 V552 L553 I556L476-V539 HydrophobicContact CD2-CG2 3.96Å; I480-V539 HydrophobicContact CD1-CG1 4.01Å; I480-V539 HydrophobicContact CD1-CG2 4.33Å; I480-V539 HydrophobicContact CG1-CG1 4.35Å; I480-V539 HydrophobicContact CG1-CG2 4.14Å; L535-V539 WeakPolarHBondContact O-CG2 3.46Å; L535-V539 PolarHBondContact O-N 3.29Å; E536-V539 PolarHBondContact O-N 3.01Å; V539-T541 VanDerWaalsContact C-N 3.35Å; V539-T541 PolarHBondContact O-N 2.95Å; V539-H542 CarbonylContact O-C 3.54Å; V539-H542 PolarHBondContact O-N 2.94Å; V539-H542 VanDerWaalsContact O-N 3.09Å; V539-A543 PolarHBondContact O-N 3.41Å; V539-V552 HydrophobicContact CG1-CB 4.25Å; V539-V552 HydrophobicContact CG1-CG1 4.02Å; V539-V552 HydrophobicContact CG2-CG1 4.28Å; V539-L553 HydrophobicContact CG1-CB 3.85Å; V539-L553 HydrophobicContact CG1-CD1 4.37Å; V539-I556 HydrophobicContact CB-CD1 3.87Å; V539-I556 HydrophobicContact CG1-CD1 4.25Å; V539-I556 HydrophobicContact CG2-CD1 3.44Å; V539-I556 VanDerWaalsContact CG2-CD1 3.44Å
540K95.2Very high93.7Very high109 Ų10940.1 Ų40.147%0.47423%0.231SC..Hα-helixtrans-61.1-35.3178.2-84.3173.9170.6174.30114.1E536 T537 L538 H542 A543 L553E536-K540 HydrophobicContact CG-CD 4.06Å; E536-K540 HydrophobicContact CG-CG 4.45Å; E536-K540 VanDerWaalsContact O-CB 3.24Å; E536-K540 WeakPolarHBondContact O-CB 3.32Å; E536-K540 WeakPolarHBondContact O-CG 3.5Å; E536-K540 PolarHBondContact O-N 3.28Å; E536-K540 VanDerWaalsContact OE1-CE 3.28Å; E536-K540 WeakPolarHBondContact OE1-CE 3.39Å; E536-K540 IonicContact OE1-NZ 3.58Å; E536-K540 PolarHBondContact OE1-NZ 3.49Å; T537-K540 PolarHBondContact O-N 3.12Å; L538-K540 PolarHBondContact O-N 2.91Å; K540-H542 PolarHBondContact O-N 3.42Å; K540-A543 PolarHBondContact O-N 3.34Å; K540-L553 HydrophobicContact CG-CD1 3.78Å; K540-L553 HydrophobicContact CG-CD2 3.78Å; K540-L553 HydrophobicContact CG-CG 4.47Å
541T94.4Very high93.9Very high49 Ų4943.2 Ų43.230%0.30124%0.239SC..THydrogen-bonded Turntrans-69.9-10.2177.757.50000113.4R456 T537 L538 V539R456-T541 WeakPolarHBondContact CD-O 3.48Å; R456-T541 PolarHBondContact NH1-O 3.41Å; T537-T541 PolarHBondContact O-N 3.47Å; L538-T541 PolarHBondContact O-OG1 3.09Å; V539-T541 VanDerWaalsContact C-N 3.35Å; V539-T541 PolarHBondContact O-N 2.95Å
542H94.3Very high94Very high3 Ų343.2 Ų43.21%0.01424%0.239CC..THydrogen-bonded Turntrans-117.5-13.8179-66.9-87.9000114.2R453 I480 L538 V539 K540 G544 A545 H549R453-H542 PolarHBondContact O-CE1 3.33Å; R453-H542 PolarHBondContact O-NE2 2.93Å; I480-H542 HydrophobicContact CG1-CB 3.97Å; I480-H542 WeakPolarHBondContact O-CB 3.4Å; I480-H542 VanDerWaalsContact O-CG 3.23Å; I480-H542 PolarHBondContact O-ND1 2.74Å; L538-H542 PolarHBondContact O-CD2 3.38Å; V539-H542 CarbonylContact O-C 3.54Å; V539-H542 PolarHBondContact O-N 2.94Å; V539-H542 VanDerWaalsContact O-N 3.09Å; K540-H542 PolarHBondContact O-N 3.42Å; H542-G544 VanDerWaalsContact C-N 3.26Å; H542-G544 PolarHBondContact O-N 3.36Å; H542-G544 VanDerWaalsContact O-N 3.13Å; H542-A545 VanDerWaalsContact O-CB 3.24Å; H542-A545 WeakPolarHBondContact O-CB 3.31Å; H542-A545 PolarHBondContact O-N 2.94Å; H542-H549 WeakPolarHBondContact O-CB 3.37Å
543A89.9Confident93.9Very high8 Ų843.5 Ų43.57%0.06624%0.241CC..G310 helixtrans-52.3-38.9-175.700000114.1V539 K540 A545 L553V539-A543 PolarHBondContact O-N 3.41Å; K540-A543 PolarHBondContact O-N 3.34Å; A543-A545 PolarHBondContact O-N 3.46Å; A543-L553 HydrophobicContact CB-CB 4.43Å; A543-L553 HydrophobicContact CB-CD2 3.78Å
544G88.3Confident94Very high83 Ų8344.8 Ų44.886%0.85625%0.247SC*.G310 helixtrans-74.42.9178.100000116.2H542H542-G544 VanDerWaalsContact C-N 3.26Å; H542-G544 PolarHBondContact O-N 3.36Å; H542-G544 VanDerWaalsContact O-N 3.13Å
545A88.3Confident93.9Very high46 Ų4644.6 Ų44.638%0.3825%0.248SC..G310 helixtrans-78.2-43.9179.800000112.9H542 A543H542-A545 VanDerWaalsContact O-CB 3.24Å; H542-A545 WeakPolarHBondContact O-CB 3.31Å; H542-A545 PolarHBondContact O-N 2.94Å; A543-A545 PolarHBondContact O-N 3.46Å
546T92.6Very high93.8Very high36 Ų3644.6 Ų44.622%0.22125%0.248CC..  trans-154.5160.4173.6710000111.3L484 R548 H549 Q550L484-T546 HydrophobicContact CD2-CG2 3.62Å; T546-R548 PolarHBondContact O-N 2.94Å; T546-R548 PolarHBondContact OG1-N 3.27Å; T546-H549 PolarHBondContact N-ND1 3.4Å; T546-H549 WeakPolarHBondContact O-CA 3.33Å; T546-H549 WeakPolarHBondContact O-CB 3.48Å; T546-H549 PolarHBondContact O-N 3.18Å; T546-H549 PolarHBondContact OG1-N 3.2Å; T546-H549 PolarHBondContact OG1-ND1 3.48Å; T546-Q550 PolarHBondContact O-N 3.29Å; T546-Q550 VanDerWaalsContact O-N 3.16Å
547D93.6Very high93.6Very high128 Ų12847.2 Ų47.268%0.68426%0.262SS*.Hα-helixtrans-50.4-32.2172-58.8-7.3000113.5Q550 R551D547-Q550 PolarHBondContact O-N 3.13Å; D547-R551 WeakPolarHBondContact O-CG 3.24Å; D547-R551 PolarHBondContact O-N 3.5Å
548R94.4Very high93.3Very high87 Ų8747.3 Ų47.333%0.32827%0.269SS..Hα-helixtrans-70-36.2176.6-70.4-179.2178.6138.35.6112L485 E487 L490 T546 R551 V552L485-R548 HydrophobicContact CB-CB 4.04Å; L485-R548 HydrophobicContact CD1-CB 4.25Å; L485-R548 WeakPolarHBondContact O-CD 3.5Å; L485-R548 PolarHBondContact O-NH1 3.03Å; E487-R548 IonicContact OE1-CZ 3.52Å; E487-R548 IonicContact OE1-NE 2.77Å; E487-R548 PolarHBondContact OE1-NE 2.9Å; E487-R548 IonicContact OE1-NH2 3.24Å; E487-R548 PolarHBondContact OE1-NH2 3.37Å; L490-R548 HydrophobicContact CD2-CG 4.31Å; T546-R548 PolarHBondContact O-N 2.94Å; T546-R548 PolarHBondContact OG1-N 3.27Å; R548-R551 PolarHBondContact O-N 3.17Å; R548-V552 WeakPolarHBondContact O-CG2 3.18Å; R548-V552 PolarHBondContact O-N 3.45Å
549H95.3Very high92.9Very high0 Ų049 Ų490%028%0.281CS..Hα-helixtrans-65.9-41172.5-65.790.4000110.9I480 K482 L485 H542 T546 R551 V552 L553I480-H549 PolarHBondContact O-CD2 3.29Å; I480-H549 PolarHBondContact O-NE2 2.72Å; K482-H549 PolarHBondContact O-NE2 3.47Å; L485-H549 HydrophobicContact CD1-CB 4.49Å; H542-H549 WeakPolarHBondContact O-CB 3.37Å; T546-H549 PolarHBondContact N-ND1 3.4Å; T546-H549 WeakPolarHBondContact O-CA 3.33Å; T546-H549 WeakPolarHBondContact O-CB 3.48Å; T546-H549 PolarHBondContact O-N 3.18Å; T546-H549 PolarHBondContact OG1-N 3.2Å; T546-H549 PolarHBondContact OG1-ND1 3.48Å; H549-R551 PolarHBondContact O-N 3.15Å; H549-V552 WeakPolarHBondContact O-CB 3.28Å; H549-V552 PolarHBondContact O-N 3.15Å; H549-V552 VanDerWaalsContact O-N 3.14Å; H549-L553 PolarHBondContact O-N 3.01Å
550Q95.6Very high91.8Very high74 Ų7453.3 Ų53.335%0.34630%0.297SS..Hα-helixtrans-59.3-44.2173.5-175.558.748.300111.8T546 D547 V552 L553 D554T546-Q550 PolarHBondContact O-N 3.29Å; T546-Q550 VanDerWaalsContact O-N 3.16Å; D547-Q550 PolarHBondContact O-N 3.13Å; Q550-V552 VanDerWaalsContact C-N 3.25Å; Q550-V552 PolarHBondContact O-N 3.49Å; Q550-L553 WeakPolarHBondContact O-CA 3.22Å; Q550-L553 WeakPolarHBondContact O-CB 3.2Å; Q550-L553 PolarHBondContact O-N 2.84Å; Q550-D554 PolarHBondContact NE2-OD1 3.15Å; Q550-D554 PolarHBondContact O-N 2.96Å
551R94.8Very high89.7Confident123 Ų12351.7 Ų51.746%0.46430%0.3SS..Hα-helixtrans-60.9-28.4175.1-71.1176.2-165.81765.4114.1L490 D547 R548 H549 C555L490-R551 HydrophobicContact CD1-CB 4.14Å; D547-R551 WeakPolarHBondContact O-CG 3.24Å; D547-R551 PolarHBondContact O-N 3.5Å; R548-R551 PolarHBondContact O-N 3.17Å; H549-R551 PolarHBondContact O-N 3.15Å; R551-C555 WeakPolarHBondContact O-CB 3.37Å; R551-C555 PolarHBondContact O-N 3.39Å; R551-C555 VanDerWaalsContact O-N 3.16Å
552V95.4Very high87.4Confident0 Ų057.1 Ų57.10%032%0.319CS..Hα-helixtrans-69.5-41.9171.8-179.60000110.3L476 I480 L485 L490 C493 I497 V539 R548 H549 Q550 C555 I556L476-V552 HydrophobicContact CD1-CG1 4.36Å; I480-V552 HydrophobicContact CD1-CB 4.15Å; I480-V552 HydrophobicContact CD1-CG1 4.09Å; I480-V552 HydrophobicContact CD1-CG2 4.32Å; L485-V552 HydrophobicContact CD1-CG2 4.22Å; L490-V552 HydrophobicContact CD1-CG2 3.59Å; C493-V552 HydrophobicContact CB-CG1 3.95Å; C493-V552 HydrophobicContact CB-CG2 3.77Å; I497-V552 HydrophobicContact CD1-CG1 3.97Å; V539-V552 HydrophobicContact CG1-CB 4.25Å; V539-V552 HydrophobicContact CG1-CG1 4.02Å; V539-V552 HydrophobicContact CG2-CG1 4.28Å; R548-V552 WeakPolarHBondContact O-CG2 3.18Å; R548-V552 PolarHBondContact O-N 3.45Å; H549-V552 WeakPolarHBondContact O-CB 3.28Å; H549-V552 PolarHBondContact O-N 3.15Å; H549-V552 VanDerWaalsContact O-N 3.14Å; Q550-V552 VanDerWaalsContact C-N 3.25Å; Q550-V552 PolarHBondContact O-N 3.49Å; V552-C555 WeakPolarHBondContact O-CB 3.41Å; V552-C555 PolarHBondContact O-N 3Å; V552-I556 PolarHBondContact O-N 3.12Å; V552-I556 VanDerWaalsContact O-N 3.12Å
553L94.7Very high84.8Confident12 Ų1261.1 Ų61.16%0.06335%0.345CS..Hα-helixtrans-62.6-45.6175.3-178.556.2000111.7E536 V539 K540 A543 H549 Q550 C555 I556 I557E536-L553 HydrophobicContact CG-CD1 3.97Å; V539-L553 HydrophobicContact CG1-CB 3.85Å; V539-L553 HydrophobicContact CG1-CD1 4.37Å; K540-L553 HydrophobicContact CG-CD1 3.78Å; K540-L553 HydrophobicContact CG-CD2 3.78Å; K540-L553 HydrophobicContact CG-CG 4.47Å; A543-L553 HydrophobicContact CB-CB 4.43Å; A543-L553 HydrophobicContact CB-CD2 3.78Å; H549-L553 PolarHBondContact O-N 3.01Å; Q550-L553 WeakPolarHBondContact O-CA 3.22Å; Q550-L553 WeakPolarHBondContact O-CB 3.2Å; Q550-L553 PolarHBondContact O-N 2.84Å; L553-C555 VanDerWaalsContact C-N 3.25Å; L553-C555 PolarHBondContact O-N 3.43Å; L553-I556 PolarHBondContact O-N 2.95Å; L553-I556 VanDerWaalsContact O-N 3.11Å; L553-I557 HydrophobicContact CD1-CD1 4.12Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.92Å; L553-I557 WeakPolarHBondContact O-CG1 3.49Å; L553-I557 PolarHBondContact O-N 2.8Å
554D94.4Very high82.6Confident75 Ų7566.2 Ų66.240%0.40138%0.377SS..Hα-helixtrans-59.6-38.4178-57.8-27000111.3Q550 I557 A558Q550-D554 PolarHBondContact NE2-OD1 3.15Å; Q550-D554 PolarHBondContact O-N 2.96Å; D554-I557 PolarHBondContact O-N 3.44Å; D554-A558 WeakPolarHBondContact O-CB 3.49Å; D554-A558 PolarHBondContact O-N 2.68Å
555C93.9Very high80.5Confident11 Ų1169.7 Ų69.77%0.07437%0.371CS..Hα-helixtrans-64.3-41.3174.8-173.20000112.5I497 R551 V552 L553 C559I497-C555 HydrophobicContact CD1-CB 3.95Å; R551-C555 WeakPolarHBondContact O-CB 3.37Å; R551-C555 PolarHBondContact O-N 3.39Å; R551-C555 VanDerWaalsContact O-N 3.16Å; V552-C555 WeakPolarHBondContact O-CB 3.41Å; V552-C555 PolarHBondContact O-N 3Å; L553-C555 VanDerWaalsContact C-N 3.25Å; L553-C555 PolarHBondContact O-N 3.43Å; C555-C559 WeakPolarHBondContact O-CB 3.43Å; C555-C559 PolarHBondContact O-N 2.61Å; C555-C559 PolarHBondContact O-SG 3.14Å
556I93.2Very high78.5Confident0 Ų072.7 Ų72.70%038%0.378CS..Hα-helixtrans-62.2-47.2173.7-68.4170.8000110.4I497 W532 L535 E536 V539 V552 L553 A558 C559 R560I497-I556 HydrophobicContact CD1-CD1 4.31Å; I497-I556 HydrophobicContact CD1-CG1 3.57Å; I497-I556 HydrophobicContact CG1-CG1 3.87Å; W532-I556 HydrophobicContact CE3-CG2 4.12Å; W532-I556 HydrophobicContact CZ3-CG2 4.31Å; L535-I556 HydrophobicContact CD2-CD1 4.17Å; L535-I556 HydrophobicContact CG-CD1 3.95Å; E536-I556 HydrophobicContact CB-CG2 4.18Å; E536-I556 HydrophobicContact CG-CG2 4.4Å; V539-I556 HydrophobicContact CB-CD1 3.87Å; V539-I556 HydrophobicContact CG1-CD1 4.25Å; V539-I556 HydrophobicContact CG2-CD1 3.44Å; V539-I556 VanDerWaalsContact CG2-CD1 3.44Å; V552-I556 PolarHBondContact O-N 3.12Å; V552-I556 VanDerWaalsContact O-N 3.12Å; L553-I556 PolarHBondContact O-N 2.95Å; L553-I556 VanDerWaalsContact O-N 3.11Å; I556-A558 PolarHBondContact O-N 2.69Å; I556-C559 PolarHBondContact O-N 2.76Å; I556-R560 WeakPolarHBondContact O-CB 3.49Å; I556-R560 PolarHBondContact O-N 3.24Å
557I90.9Very high76.2Confident80 Ų8076.6 Ų76.641%0.4139%0.394SS..Hα-helixtrans-61.4-44-178.4-66.9167.9000110.9L553 D554 R560 S561L553-I557 HydrophobicContact CD1-CD1 4.12Å; L553-I557 HydrophobicContact CD1-CG1 4.34Å; L553-I557 HydrophobicContact CG-CD1 3.92Å; L553-I557 WeakPolarHBondContact O-CG1 3.49Å; L553-I557 PolarHBondContact O-N 2.8Å; D554-I557 PolarHBondContact O-N 3.44Å; I557-R560 PolarHBondContact O-N 3.37Å; I557-S561 WeakPolarHBondContact O-CB 3.18Å; I557-S561 PolarHBondContact O-N 2.87Å; I557-S561 VanDerWaalsContact O-N 3.12Å
558A90Very high74Confident68 Ų6875.9 Ų75.956%0.56239%0.386SS*.Hα-helixtrans-67.6-35.417800000113.4D554 I556 S561D554-A558 WeakPolarHBondContact O-CB 3.49Å; D554-A558 PolarHBondContact O-N 2.68Å; I556-A558 PolarHBondContact O-N 2.69Å; A558-S561 PolarHBondContact O-OG 2.72Å
559C85.6Confident71.9Confident38 Ų3881.7 Ų81.726%0.25741%0.408SS..Hα-helixtrans-73.2-32.9174.8-73.30000112.4I497 V501 C555 I556I497-C559 HydrophobicContact CG2-CB 3.89Å; V501-C559 HydrophobicContact CG2-CB 3.72Å; C555-C559 WeakPolarHBondContact O-CB 3.43Å; C555-C559 PolarHBondContact O-N 2.61Å; C555-C559 PolarHBondContact O-SG 3.14Å; I556-C559 PolarHBondContact O-N 2.76Å
560R72.7Confident69.7Low90 Ų9089.4 Ų89.434%0.3444%0.442SS..Hα-helixtrans-75.3-20.9178.3-175.1-178.6173.4172.97.9113.3N533 E536 I556 I557 K562N533-R560 VanDerWaalsContact OD1-CZ 3.29Å; N533-R560 PolarHBondContact OD1-NH1 2.94Å; N533-R560 VanDerWaalsContact OD1-NH1 3.09Å; N533-R560 PolarHBondContact OD1-NH2 3.47Å; E536-R560 IonicContact OE1-NH1 3.43Å; E536-R560 WeakPolarHBondContact OE2-CD 3.31Å; E536-R560 IonicContact OE2-CZ 3.56Å; E536-R560 IonicContact OE2-NE 2.75Å; E536-R560 IonicContact OE2-NH1 3.54Å; E536-R560 PolarHBondContact OE2-NH1 2.97Å; I556-R560 WeakPolarHBondContact O-CB 3.49Å; I556-R560 PolarHBondContact O-N 3.24Å; I557-R560 PolarHBondContact O-N 3.37Å; R560-K562 VanDerWaalsContact C-N 3.35Å; R560-K562 PolarHBondContact O-N 3.14Å
561S52Low67.5Low75 Ų7592 Ų9252%0.52445%0.451SS..  trans-75.777.2-16962.10000114.6I557 A558I557-S561 WeakPolarHBondContact O-CB 3.18Å; I557-S561 PolarHBondContact O-N 2.87Å; I557-S561 VanDerWaalsContact O-N 3.12Å; A558-S561 PolarHBondContact O-OG 2.72Å
562K45.2Very low65.2Low162 Ų16295 Ų9570%0.70446%0.463SS*.  trans-118.595.9145.8-76.7-161.7170.4-134.60110.2R560 E566R560-K562 VanDerWaalsContact C-N 3.35Å; R560-K562 PolarHBondContact O-N 3.14Å; K562-E566 IonicContact NZ-OE2 2.68Å; K562-E566 PolarHBondContact NZ-OE2 2.93Å
563P40.4Very low62.9Low88 Ų8897.4 Ų97.457%0.57149%0.488SS*.  trans-64.3154.4170.6-14.628.5000111.1E565P563-E565 PolarHBondContact O-N 2.98Å
564P43.4Very low60.7Low114 Ų114106.3 Ų106.374%0.7452%0.52SS*.THydrogen-bonded Turntrans-68.64.3-174.127.2-35.3000116E566P564-E566 VanDerWaalsContact C-N 3.32Å; P564-E566 PolarHBondContact O-N 3.47Å
565E44.4Very low58.2Low156 Ų156111.1 Ų111.173%0.72954%0.538SS*.Hα-helixtrans-71-24178.4-61.6-167.4146.200113.6P563 E567P563-E565 PolarHBondContact O-N 2.98Å; E565-E567 VanDerWaalsContact C-N 3.35Å
566E46.1Very low55.9Low109 Ų109121.3 Ų121.351%0.50958%0.575SS.*Hα-helixtrans-75.2-23.5-179.4-141.2-177-15900112.7K562 P564K562-E566 IonicContact NZ-OE2 2.68Å; K562-E566 PolarHBondContact NZ-OE2 2.93Å; P564-E566 VanDerWaalsContact C-N 3.32Å; P564-E566 PolarHBondContact O-N 3.47Å
567E44.8Very low53.5Low119 Ų119129.4 Ų129.456%0.55661%0.612SS**Hα-helixtrans-73.7-39.7172.7-95.4-132.1131.800112.8E565 R569 K570 K571E565-E567 VanDerWaalsContact C-N 3.35Å; E567-R569 VanDerWaalsContact C-N 3.3Å; E567-R569 PolarHBondContact O-N 2.93Å; E567-K570 PolarHBondContact O-N 3.41Å; E567-K570 VanDerWaalsContact O-N 3.16Å; E567-K571 PolarHBondContact O-N 3.25Å; E567-K571 IonicContact OE1-NZ 3.35Å; E567-K571 IonicContact OE2-NZ 2.91Å; E567-K571 PolarHBondContact OE2-NZ 3.31Å
568E46.5Very low51.1Low112 Ų112132.5 Ų132.552%0.52363%0.63SS.*Hα-helixtrans-58-42.3178.2-88.2-105.8134.800111.4K570 K571 R572E568-K570 VanDerWaalsContact C-N 3.35Å; E568-K570 PolarHBondContact O-N 2.89Å; E568-K571 PolarHBondContact O-N 3.01Å; E568-R572 WeakPolarHBondContact O-CG 3.16Å; E568-R572 PolarHBondContact O-N 3.43Å; E568-R572 IonicContact OE2-NE 3.47Å; E568-R572 IonicContact OE2-NH2 3.45Å
569R49.8Very low48.8Very low210 Ų210139.9 Ų139.979%0.79264%0.643SS**Hα-helixtrans-62.7-38.5176.9-77.3-176.3169.1-175.8-2.4112.5E567 G573E567-R569 VanDerWaalsContact C-N 3.3Å; E567-R569 PolarHBondContact O-N 2.93Å; R569-G573 PolarHBondContact O-N 3.09Å
570K49.8Very low46.6Very low162 Ų162147.3 Ų147.370%0.70467%0.674SS**Hα-helixtrans-71.8-35.2175.5-73.9-179.2177.3174.60112.8E567 E568 R574E567-K570 PolarHBondContact O-N 3.41Å; E567-K570 VanDerWaalsContact O-N 3.16Å; E568-K570 VanDerWaalsContact C-N 3.35Å; E568-K570 PolarHBondContact O-N 2.89Å; K570-R574 PolarHBondContact O-N 2.73Å
571K49.7Very low45.1Very low127 Ų127150 Ų15055%0.55270%0.695SS**Hα-helixtrans-71-32.6174.9-76.7167.4178.8158.50113E567 E568E567-K571 PolarHBondContact O-N 3.25Å; E567-K571 IonicContact OE1-NZ 3.35Å; E567-K571 IonicContact OE2-NZ 2.91Å; E567-K571 PolarHBondContact OE2-NZ 3.31Å; E568-K571 PolarHBondContact O-N 3.01Å
572R47.4Very low44.3Very low188 Ų188157.7 Ų157.771%0.70971%0.713SS**Hα-helixtrans-73-36.1173.8-73.8-174.5-177.2-153.91.6113.5E568E568-R572 WeakPolarHBondContact O-CG 3.16Å; E568-R572 PolarHBondContact O-N 3.43Å; E568-R572 IonicContact OE2-NE 3.47Å; E568-R572 IonicContact OE2-NH2 3.45Å
573G45.6Very low43.6Very low50 Ų50156.6 Ų156.652%0.51572%0.72SS.*Hα-helixtrans-62.4-44.4176.900000113.1R569 K575R569-G573 PolarHBondContact O-N 3.09Å; G573-K575 VanDerWaalsContact C-N 3.31Å; G573-K575 PolarHBondContact O-N 3.36Å
574R48.4Very low43.2Very low199 Ų199159.8 Ų159.875%0.75173%0.727SS**Hα-helixtrans-75.5-13-175.4-132.5174.3-173.1172.50.7115.1K570K570-R574 PolarHBondContact O-N 2.73Å
575K43.4Very low42.7Very low176 Ų176162.1 Ų162.177%0.76573%0.725SS**THydrogen-bonded Turntrans-91.86.8-175.2-148.6177.3-175.7179.30114.1G573G573-K575 VanDerWaalsContact C-N 3.31Å; G573-K575 PolarHBondContact O-N 3.36Å
576R43.7Very low42Very low225 Ų225162.6 Ų162.685%0.84973%0.733SS**THydrogen-bonded Turntrans-107.6-15.8-178.4-160.3172.5-177.5178.40.2114.3
577E43.2Very low41.2Very low169 Ų169160.2 Ų160.279%0.7974%0.738SS**THydrogen-bonded Turntrans-96.4-32.9178.7-68.7176.214900112.7R579E577-R579 PolarHBondContact O-N 3.01Å
578D40.9Very low40.4Very low146 Ų146160.3 Ų160.378%0.78175%0.752SS**THydrogen-bonded Turntrans-77.221.9179.1-71.1-28000114.7
579R41.9Very low39.6Very low222 Ų222162.7 Ų162.784%0.83876%0.76SS**THydrogen-bonded Turntrans-125.817.9-171.9-143.9-169.2-177.8-168.1-0.6116.1E577E577-R579 PolarHBondContact O-N 3.01Å
580E39.5Very low38.6Very low195 Ų195160 Ų16091%0.91176%0.757SS**SBendtrans-112.3-0.5172.1-94.2-176.3172.200114.9
581D40.3Very low37.6Very low147 Ų147156.1 Ų156.179%0.78676%0.755SS**SBendtrans-122135.7176.8-135.9-25.9000112.2
582R35.8Very low36.7Very low235 Ų235159.2 Ų159.289%0.88777%0.771SS**  trans75.158.8-178-52.2-179178-171.7-2.3118.2
583T31.4Very low35.8Very low139 Ų139155.4 Ų155.485%0.85377%0.765SS**  trans-79.6109.5133.442.20000110.3
584E31.3Very low35Very low156 Ų156161.5 Ų161.573%0.72978%0.777SS**  trans-168.3139.2137.2-115.4-166.4-143.500113.3
585K33.2Very low34Very low162 Ų162156.1 Ų156.170%0.70477%0.77SS**  trans62100.8168.1-67.8172.5179.9112.40116.5
586N29.9Very low33.3Very low166 Ų166157.8 Ų157.889%0.88877%0.772SS**  74.3125.786-77.24.6000112.9
587G28.9Very low32.4Very low59 Ų59153.8 Ų153.861%0.60876%0.763SS**  cis157164-2.500000111.2
588S28.4Very low31.6Very low121 Ų121152.5 Ų152.585%0.84676%0.757SS**  trans60.5143.5174.538.60000116.6
589K30.1Very low31Very low163 Ų163149.8 Ų149.871%0.70975%0.749SS**  cis-158.5158.313-123.9170.3178.1-112.10110.5
590E28.6Very low30.3Very low153 Ų153146.9 Ų146.972%0.71575%0.745SS**  trans23.8144.8130.4-67160.4-174.200120
591A28.2Very low29.8Very low80 Ų80147.7 Ų147.766%0.66174%0.74SS**  cis-171.5172.4-700000109.8
592E29.9Very low29.3Very low192 Ų192147.9 Ų147.990%0.89774%0.74SS**  trans59.6159.5158.9-68.7172.7162.400119.6
593D28.3Very low29Very low109 Ų109146 Ų14658%0.58374%0.738SS**  cis164.3144.5-34.9179.624.9000105.8
594K30.1Very low28.7Very low177 Ų177142.3 Ų142.377%0.7773%0.727SS**  trans60162.8175.8-72142.5-171.7146.50116.2
595S27.6Very low28.6Very low86 Ų86142.7 Ų142.760%0.60173%0.734SS**  cis169.7-178.7-18.3-176.20000104.5
596W27.2Very low28.4Very low211 Ų211142.1 Ų142.180%0.79974%0.738SS**  trans86.2122.2175.3-54.397000114.6
597Q26Very low28.3Very low142 Ų142143.7 Ų143.766%0.66474%0.74SS**  56.8137.453-87.2-178.9-54.400112.1
598E25.7Very low28.3Very low141 Ų141149.7 Ų149.766%0.65975%0.749SS**  cis-163.9162.5-5.6-152.7-174.3115.900108.9
599S28Very low28.2Very low89 Ų89153 Ų15362%0.62275%0.751SS**  trans68.6157.9140.3-91.40000122.6
600E28.5Very low28Very low162 Ų162151.8 Ų151.876%0.75775%0.752SS**  trans67.2145.6163.8-54.3-139.9115.300119.6
601R28.8Very low27.9Very low212 Ų212153 Ų15380%0.876%0.758SS**  cis160.8126.5-30.1-109.1179.9171.4169.7-1.6105.3
602L29.4Very low27.8Very low150 Ų150158.2 Ų158.279%0.78577%0.768SS**  trans81.6142139.7-145.280.2000120.4
603K28.6Very low28Very low197 Ų197154.1 Ų154.186%0.85776%0.761SS**  trans74.8139.9169-54.6-179.81791730115.6
604G26.2Very low27.9Very low60 Ų60157.6 Ų157.662%0.61977%0.774SS**  cis157.1168.9-3.500000112.2
605L28.6Very low28.2Very low165 Ų165155.7 Ų155.786%0.86478%0.777SS**  trans72.5120.1-171.9-63.8110.7000113.9
606L29Very low28.1Very low150 Ų150159 Ų15979%0.78579%0.786SS**  77.8105.358.2-83.9163.6000112.8
607E27.8Very low28.1Very low199 Ų199157.5 Ų157.593%0.9379%0.785SS**  trans-151.1155.7134.8-116.1160.6-157.500109.8
608K28.8Very low28.1Very low184 Ų184157.5 Ų157.580%0.879%0.79SS**  trans-95159.1-174.3-63.5172168.3-174.50110.3
609E26.2Very low28.3Very low192 Ų192156.1 Ų156.190%0.89780%0.796SS**  -162.5156115.6-111172.7-177.700112
610D26.7Very low28.9Very low137 Ų137157.6 Ų157.673%0.73380%0.803SS**  trans-89154.2-173.5-58.8-71.1000112
611Q26.8Very low28.8Very low179 Ų179157.4 Ų157.484%0.83681%0.807SS**  -175.2119.2120.4-101.9165.516.800114.6
612E26.1Very low28.8Very low188 Ų188152.2 Ų152.288%0.87980%0.803SS**  trans46.5147.2130.3-62.4-170.7146.300124.1
613S33.5Very low28.8Very low106 Ų106151.4 Ų151.474%0.74181%0.807SS**  trans-84.1149.4179.352.70000113.9
614E26.7Very low28.8Very low183 Ų183150.5 Ų150.586%0.85581%0.806SS**  trans-136.4151.1144.8-86.8-151.6140.900112.7
615V36.3Very low28.9Very low136 Ų136153.5 Ų153.582%0.82482%0.815SS**  trans-110.6121.8-178.7170.70000108.7
616I26Very low28.8Very low157 Ų157153.7 Ų153.781%0.80582%0.816SS**  trans-129.9144.6169.2-60.7-175.1000111
617K27.5Very low28.9Very low178 Ų178153.8 Ų153.877%0.77482%0.816SS**  trans-88.6157.7-160-62.1160.9176.41700115
618D26Very low28.8Very low143 Ų143153.5 Ų153.577%0.76581%0.811SS**  trans24113.2143.1-62.8-48.1000121.2
619S30Very low28.8Very low112 Ų112153.9 Ų153.978%0.78381%0.813SS**  58.5166.9124.9-61.40000121.3
620P39.7Very low28.8Very low120 Ų120150.6 Ų150.678%0.77981%0.808SS**  cis-124.7164.5-21.637.2-23.3000113
621D26.3Very low28.7Very low157 Ų157155.9 Ų155.984%0.8482%0.818SS**  trans-160.9140.2134.6-138.1-22.4000112.6
622S29.6Very low28.7Very low103 Ų103155.6 Ų155.672%0.7282%0.821SS**  trans-161114.2174.6-77.50000108.9
623P28.1Very low28.7Very low133 Ų133154.7 Ų154.786%0.86482%0.821SS**PPolyproline II helixtrans-74131.3-176.527.8-33.1000112.1
624E29.9Very low28.3Very low178 Ų178154.8 Ų154.883%0.83282%0.821SS**PPolyproline II helixtrans-66.5153.1178.5-63.8-176.5139.700113.5
625P27.6Very low28.2Very low124 Ų124155.5 Ų155.581%0.80583%0.825SS**PPolyproline II helixtrans-74.4128.1176.229.9-34.2000112.8I627P625-I627 PolarHBondContact O-N 3.45Å
626L27Very low27.6Very low168 Ų168156 Ų15688%0.8882%0.823SS**PPolyproline II helixtrans-66.6116.4-177.1-75.1164.5000114
627I30.9Very low27.7Very low153 Ų153155.8 Ų155.879%0.78583%0.828SS**  trans-81.1112.7168.3-58.5171.4000110P625P625-I627 PolarHBondContact O-N 3.45Å
628K26.2Very low27.7Very low193 Ų193155.8 Ų155.884%0.83983%0.831SS**  trans-137.5118.5160.5-74.4-169.9178.1175.10112.2
629K28.5Very low28.2Very low191 Ų191154.1 Ų154.183%0.8383%0.828SS**PPolyproline II helixtrans-78.8139.5172.3-61.2175178.7177.50110.5
630P25Very low28.7Very low123 Ų123154.6 Ų154.680%0.79983%0.828SS**PPolyproline II helixtrans-78.7139.7156.2-5.523.5000110.2
631R25Very low28.3Very low248 Ų248156.3 Ų156.394%0.93683%0.826SS**PPolyproline II helixtrans-87.3139.4163.4-72.7176.4171.5168.6-4.4108.5
632L26.5Very low28.4Very low173 Ų173160 Ų16091%0.90683%0.828SS**PPolyproline II helixtrans-102.6150.9164.5-83.3164.9000109.9
633I25.7Very low28.5Very low170 Ų170159.7 Ų159.787%0.87283%0.832SS**PPolyproline II helixtrans-89.8143.9-178.9-66.1167.5000108.9
634S25.5Very low29Very low107 Ų107163.3 Ų163.375%0.74883%0.834SS**PPolyproline II helixtrans-88.3144.4178.1-48.70000112.2
635E24.7Very low29.8Very low199 Ų199157.9 Ų157.993%0.9383%0.825SS**  trans-138.9146145.5-88.8-170.615500109.3
636D24.5Very low30.6Very low147 Ų147158.1 Ų158.179%0.78683%0.827SS**  trans-91.2143.4-163.4-77.4-64.6000115.2
637V27.5Very low31.8Very low151 Ų151153 Ų15392%0.91581%0.809SS**  trans-146.1142.6136.1-174.90000109.4
638Q27.3Very low33.9Very low179 Ų179149.7 Ų149.784%0.83680%0.796SS**  trans-95171.7-169.4-94.1-163.21.700116
639P37.7Very low35.1Very low108 Ų108147.5 Ų147.570%0.70179%0.793SS**  trans-108-176-149.546.9-40.8000114.1
640P39.2Very low36.1Very low121 Ų121144.1 Ų144.179%0.78678%0.783SS**  -120.7-175.970.220.8-0.9000112.6
641E31.3Very low37.5Very low156 Ų156140.1 Ų140.173%0.72976%0.758SS**  cis-144.9-155.79.5-134.5-9963.500110
642R29.8Very low39.1Very low234 Ų234133.2 Ų133.288%0.88374%0.738SS**PPolyproline II helixtrans-71.6137.4-169.5-75.6159.6-173.5-169.1-0.5116.5
643A31.4Very low40.7Very low98 Ų98132.6 Ų132.681%0.8172%0.723SS**PPolyproline II helixtrans-92.2149.1-168.200000115.9
644K38.1Very low42.5Very low209 Ų209127.5 Ų127.591%0.90970%0.7SS**PPolyproline II helixtrans-86.8142.1148.9-71.1177.9179.2174.20108.3
645G46.9Very low44.3Very low63 Ų63127.4 Ų127.465%0.64969%0.691SS**PPolyproline II helixtrans-65.4171.1-178.500000114.4A647G645-A647 PolarHBondContact O-N 3.24Å
646P44.2Very low46.3Very low129 Ų129127.4 Ų127.484%0.83868%0.683SS**PPolyproline II helixtrans-60.9124.4-177.325.1-33.9000111.4T648P646-T648 PolarHBondContact O-N 2.55Å
647A52.9Low48.5Very low61 Ų61123.5 Ų123.550%0.50466%0.661SS.*PPolyproline II helixtrans-63.3119.8178.800000110.5G645 M652G645-A647 PolarHBondContact O-N 3.24Å; A647-M652 HydrophobicContact CB-CE 4.13Å; A647-M652 HydrophobicContact CB-CG 4.34Å; A647-M652 VanDerWaalsContact O-CE 3.26Å; A647-M652 WeakPolarHBondContact O-CE 3.15Å
648T73.9Confident50.4Low84 Ų84120.3 Ų120.352%0.51564%0.642SS.*PPolyproline II helixtrans-69.8154.2175.861.60000110.6P646 L650 S651 M652P646-T648 PolarHBondContact O-N 2.55Å; T648-L650 PolarHBondContact O-N 3.34Å; T648-L650 VanDerWaalsContact O-N 3.15Å; T648-S651 PolarHBondContact N-OG 3.41Å; T648-S651 WeakPolarHBondContact O-CA 3.15Å; T648-S651 PolarHBondContact O-N 2.93Å; T648-S651 PolarHBondContact O-OG 2.95Å; T648-S651 PolarHBondContact OG1-N 3.14Å; T648-S651 VanDerWaalsContact OG1-N 3.16Å; T648-M652 PolarHBondContact O-N 2.85Å
649L51Low52.3Low147 Ų147115.1 Ų115.177%0.7762%0.623SS**Hα-helixtrans-53.2-34.8172.8-74.5170.3000112.1M652 W653L649-M652 PolarHBondContact O-N 3.44Å; L649-W653 WeakPolarHBondContact O-CB 3.34Å; L649-W653 PolarHBondContact O-N 2.82Å
650L49.2Very low53.5Low120 Ų120112.1 Ų112.163%0.62861%0.607SS**Hα-helixtrans-59.6-50.8171.8-179.161.6000111.6T648 M652 W653 T654T648-L650 PolarHBondContact O-N 3.34Å; T648-L650 VanDerWaalsContact O-N 3.15Å; L650-M652 VanDerWaalsContact C-N 3.32Å; L650-M652 PolarHBondContact O-N 3.28Å; L650-W653 PolarHBondContact O-N 3.38Å; L650-T654 WeakPolarHBondContact O-CB 3.43Å; L650-T654 PolarHBondContact O-N 2.61Å; L650-T654 PolarHBondContact O-OG1 3.47Å; L650-T654 VanDerWaalsContact O-OG1 3.05Å
651S55.6Low54.4Low38 Ų38110.1 Ų110.127%0.26659%0.589SS.*Hα-helixtrans-62.7-36178.170.80000113.3T648 N655T648-S651 PolarHBondContact N-OG 3.41Å; T648-S651 WeakPolarHBondContact O-CA 3.15Å; T648-S651 PolarHBondContact O-N 2.93Å; T648-S651 PolarHBondContact O-OG 2.95Å; T648-S651 PolarHBondContact OG1-N 3.14Å; T648-S651 VanDerWaalsContact OG1-N 3.16Å; S651-N655 VanDerWaalsContact O-CB 3.27Å; S651-N655 WeakPolarHBondContact O-CB 3.12Å; S651-N655 PolarHBondContact O-N 3.14Å; S651-N655 PolarHBondContact O-ND2 3.47Å
652M58.4Low55.6Low103 Ų103106.3 Ų106.351%0.50758%0.58SS.*Hα-helixtrans-67.9-42.5174.6-61.1-169.8-154.500111.7A647 T648 L649 L650 R656A647-M652 HydrophobicContact CB-CE 4.13Å; A647-M652 HydrophobicContact CB-CG 4.34Å; A647-M652 VanDerWaalsContact O-CE 3.26Å; A647-M652 WeakPolarHBondContact O-CE 3.15Å; T648-M652 PolarHBondContact O-N 2.85Å; L649-M652 PolarHBondContact O-N 3.44Å; L650-M652 VanDerWaalsContact C-N 3.32Å; L650-M652 PolarHBondContact O-N 3.28Å; M652-R656 VanDerWaalsContact O-CB 3.29Å; M652-R656 WeakPolarHBondContact O-CB 3.31Å; M652-R656 PolarHBondContact O-N 3.37Å
653W60.5Low56.9Low161 Ų161105 Ų10561%0.6158%0.575SS**Hα-helixtrans-67.6-47178-176.585.6000111.7L649 L650 N655 R656 I657L649-W653 WeakPolarHBondContact O-CB 3.34Å; L649-W653 PolarHBondContact O-N 2.82Å; L650-W653 PolarHBondContact O-N 3.38Å; W653-N655 PolarHBondContact O-N 3.48Å; W653-R656 WeakPolarHBondContact O-CB 3.25Å; W653-R656 PolarHBondContact O-N 2.87Å; W653-R656 VanDerWaalsContact O-N 3.13Å; W653-I657 HydrophobicContact CD2-CG1 3.98Å; W653-I657 HydrophobicContact CE3-CG1 4.25Å; W653-I657 HydrophobicContact CH2-CG1 4.14Å; W653-I657 HydrophobicContact CZ2-CD1 4.08Å; W653-I657 HydrophobicContact CZ2-CG1 3.84Å; W653-I657 HydrophobicContact CZ3-CG1 4.33Å; W653-I657 WeakPolarHBondContact O-CG1 3.32Å; W653-I657 PolarHBondContact O-N 3.16Å
654T61.8Low58Low62 Ų62107.8 Ų107.838%0.3857%0.569SS.*Hα-helixtrans-58-49.2174.8-58.50000110.8L650 R656 I657 T658L650-T654 WeakPolarHBondContact O-CB 3.43Å; L650-T654 PolarHBondContact O-N 2.61Å; L650-T654 PolarHBondContact O-OG1 3.47Å; L650-T654 VanDerWaalsContact O-OG1 3.05Å; T654-R656 VanDerWaalsContact C-N 3.3Å; T654-R656 PolarHBondContact O-N 3.37Å; T654-I657 PolarHBondContact O-N 3.31Å; T654-T658 PolarHBondContact O-N 3.01Å; T654-T658 PolarHBondContact O-OG1 2.8Å
655N64.1Low58.6Low105 Ų105104.7 Ų104.756%0.56156%0.557SS**Hα-helixtrans-59-40.5175.5-76.4-18.9000112.2S651 W653 T658 V659S651-N655 VanDerWaalsContact O-CB 3.27Å; S651-N655 WeakPolarHBondContact O-CB 3.12Å; S651-N655 PolarHBondContact O-N 3.14Å; S651-N655 PolarHBondContact O-ND2 3.47Å; W653-N655 PolarHBondContact O-N 3.48Å; N655-T658 PolarHBondContact O-N 2.93Å; N655-V659 WeakPolarHBondContact O-CB 3.34Å; N655-V659 VanDerWaalsContact O-CG2 3.25Å; N655-V659 WeakPolarHBondContact O-CG2 3.49Å; N655-V659 PolarHBondContact O-N 2.99Å
656R67.4Low58.5Low199 Ų199111.1 Ų111.175%0.75157%0.571SS**Hα-helixtrans-65.2-38.4177.3-170.6176.7-177.5-179.40.9112.4M652 W653 T654 A660M652-R656 VanDerWaalsContact O-CB 3.29Å; M652-R656 WeakPolarHBondContact O-CB 3.31Å; M652-R656 PolarHBondContact O-N 3.37Å; W653-R656 WeakPolarHBondContact O-CB 3.25Å; W653-R656 PolarHBondContact O-N 2.87Å; W653-R656 VanDerWaalsContact O-N 3.13Å; T654-R656 VanDerWaalsContact C-N 3.3Å; T654-R656 PolarHBondContact O-N 3.37Å; R656-A660 VanDerWaalsContact O-CB 3.26Å; R656-A660 WeakPolarHBondContact O-CB 3.29Å; R656-A660 PolarHBondContact O-N 2.74Å
657I70.6Confident58.8Low66 Ų66111.9 Ų111.934%0.33856%0.563SS.*Hα-helixtrans-69.5-44.3174.5-65.9-64.9000110.9W653 T654 V659 A660 N661W653-I657 HydrophobicContact CD2-CG1 3.98Å; W653-I657 HydrophobicContact CE3-CG1 4.25Å; W653-I657 HydrophobicContact CH2-CG1 4.14Å; W653-I657 HydrophobicContact CZ2-CD1 4.08Å; W653-I657 HydrophobicContact CZ2-CG1 3.84Å; W653-I657 HydrophobicContact CZ3-CG1 4.33Å; W653-I657 WeakPolarHBondContact O-CG1 3.32Å; W653-I657 PolarHBondContact O-N 3.16Å; T654-I657 PolarHBondContact O-N 3.31Å; I657-V659 VanDerWaalsContact C-N 3.35Å; I657-V659 PolarHBondContact O-N 2.82Å; I657-A660 PolarHBondContact O-N 2.92Å; I657-A660 VanDerWaalsContact O-N 3.16Å; I657-N661 WeakPolarHBondContact O-CB 3Å; I657-N661 VanDerWaalsContact O-CG 3.3Å; I657-N661 PolarHBondContact O-N 3.38Å
658T67.3Low58.5Low83 Ų83115.8 Ų115.851%0.50957%0.569SS.*Hα-helixtrans-61-42.3176.2-56.70000111.7T654 N655 N661 S662T654-T658 PolarHBondContact O-N 3.01Å; T654-T658 PolarHBondContact O-OG1 2.8Å; N655-T658 PolarHBondContact O-N 2.93Å; T658-N661 PolarHBondContact O-N 2.99Å; T658-S662 WeakPolarHBondContact O-CB 3.42Å; T658-S662 PolarHBondContact O-N 3Å; T658-S662 PolarHBondContact O-OG 3.3Å
659V66.1Low57.2Low71 Ų71120 Ų12043%0.4358%0.58SS.*Hα-helixtrans-69.1-32.4174.81710000112.4N655 I657 S662 R663N655-V659 WeakPolarHBondContact O-CB 3.34Å; N655-V659 VanDerWaalsContact O-CG2 3.25Å; N655-V659 WeakPolarHBondContact O-CG2 3.49Å; N655-V659 PolarHBondContact O-N 2.99Å; I657-V659 VanDerWaalsContact C-N 3.35Å; I657-V659 PolarHBondContact O-N 2.82Å; V659-S662 PolarHBondContact O-OG 3.09Å; V659-R663 WeakPolarHBondContact O-CD 3.31Å; V659-R663 VanDerWaalsContact O-CG 3.29Å; V659-R663 WeakPolarHBondContact O-CG 3.37Å
660A64.2Low57.4Low44 Ų44113.2 Ų113.236%0.36455%0.546SS..Hα-helixtrans-72.3-32.8174.600000112.5R656 I657R656-A660 VanDerWaalsContact O-CB 3.26Å; R656-A660 WeakPolarHBondContact O-CB 3.29Å; R656-A660 PolarHBondContact O-N 2.74Å; I657-A660 PolarHBondContact O-N 2.92Å; I657-A660 VanDerWaalsContact O-N 3.16Å
661N58.3Low57.8Low79 Ų79115.8 Ų115.842%0.42255%0.547SS..Hα-helixtrans-81.3-38.5179.2-70.3-6.4000112.2I657 T658 R663 K664 H665I657-N661 WeakPolarHBondContact O-CB 3Å; I657-N661 VanDerWaalsContact O-CG 3.3Å; I657-N661 PolarHBondContact O-N 3.38Å; T658-N661 PolarHBondContact O-N 2.99Å; N661-R663 PolarHBondContact O-N 2.92Å; N661-K664 PolarHBondContact O-N 3.19Å; N661-H665 PolarHBondContact O-CD2 3.03Å
662S56Low57.7Low76 Ų76117.6 Ų117.653%0.53157%0.565SS.*Hα-helixtrans-63.5-24.8175.960.30000113.1T658 V659 K664T658-S662 WeakPolarHBondContact O-CB 3.42Å; T658-S662 PolarHBondContact O-N 3Å; T658-S662 PolarHBondContact O-OG 3.3Å; V659-S662 PolarHBondContact O-OG 3.09Å; S662-K664 VanDerWaalsContact C-N 3.28Å; S662-K664 PolarHBondContact O-N 3.05Å
663R56.5Low57.4Low207 Ų207115.7 Ų115.778%0.78156%0.561SS**THydrogen-bonded Turntrans-77.5-4.3172.9-69.4173.7-177.5-164.2-0.4114.7V659 N661V659-R663 WeakPolarHBondContact O-CD 3.31Å; V659-R663 VanDerWaalsContact O-CG 3.29Å; V659-R663 WeakPolarHBondContact O-CG 3.37Å; N661-R663 PolarHBondContact O-N 2.92Å
664K54.4Low57.2Low156 Ų156109.8 Ų109.868%0.67855%0.545SS*.THydrogen-bonded Turntrans-108.4-0.6-177.8-69.9-176.6176.7-171.40114.1N661 S662N661-K664 PolarHBondContact O-N 3.19Å; S662-K664 VanDerWaalsContact C-N 3.28Å; S662-K664 PolarHBondContact O-N 3.05Å
665H51.1Low56.7Low145 Ų145112.1 Ų112.167%0.67156%0.559SS**SBendtrans-134.3151.6-178.8-57.2-54.1000109.4N661N661-H665 PolarHBondContact O-CD2 3.03Å
666Q44.8Very low56Low198 Ų198114.3 Ų114.393%0.92557%0.57SS**PPolyproline II helixtrans-65137.6165.4-81-179.3-22.200109.1
667E49.8Very low55.2Low144 Ų144110.4 Ų110.467%0.67357%0.573SS**PPolyproline II helixtrans-69.5142.4-180-171.3164-149.600110.5F669 R671E667-F669 PolarHBondContact O-N 2.91Å; E667-F669 VanDerWaalsContact O-N 3.15Å; E667-R671 HydrophobicContact CG-CB 4.45Å
668F47.1Very low54.1Low144 Ų144115.1 Ų115.163%0.63259%0.592SS**PPolyproline II helixtrans-58.1120.6176.7175.5-101.9000109.8G670 R671F668-G670 PolarHBondContact O-N 3.17Å; F668-R671 HydrophobicContact CD1-CG 4.2Å; F668-R671 WeakPolarHBondContact O-CB 3.43Å; F668-R671 PolarHBondContact O-N 2.98Å
669F47.6Very low53.5Low172 Ų172115.6 Ų115.675%0.75459%0.587SS**Hα-helixtrans-54.2-35.8-170.6-160.3-94.6000113.1E667 R671 A672E667-F669 PolarHBondContact O-N 2.91Å; E667-F669 VanDerWaalsContact O-N 3.15Å; F669-R671 PolarHBondContact O-N 3.22Å; F669-A672 PolarHBondContact O-N 2.97Å
670G54.5Low52.9Low5 Ų5117.3 Ų117.35%0.05259%0.59CS.*Hα-helixtrans-69.4-5.7175.500000116F668 F679F668-G670 PolarHBondContact O-N 3.17Å; G670-F679 WeakPolarHBondContact O-CB 3.34Å; G670-F679 WeakPolarHBondContact O-CD2 3.5Å; G670-F679 WeakPolarHBondContact O-CG 3.27Å
671R57.1Low52Low173 Ų173121.1 Ų121.165%0.65360%0.604SS**Hα-helixtrans-91-35.2169-75.6179.4-169.6-157.53.3112.3E667 F668 F669 S673 S674E667-R671 HydrophobicContact CG-CB 4.45Å; F668-R671 HydrophobicContact CD1-CG 4.2Å; F668-R671 WeakPolarHBondContact O-CB 3.43Å; F668-R671 PolarHBondContact O-N 2.98Å; F669-R671 PolarHBondContact O-N 3.22Å; R671-S673 PolarHBondContact O-N 3.46Å; R671-S674 WeakPolarHBondContact O-CB 3.29Å; R671-S674 PolarHBondContact O-N 3.45Å; R671-S674 VanDerWaalsContact O-N 3.07Å; R671-S674 PolarHBondContact O-OG 2.95Å
672A53.8Low51.6Low77 Ų77125.6 Ų125.664%0.63662%0.616SS**Hα-helixtrans-59.6-32.5175.300000112.1F669F669-A672 PolarHBondContact O-N 2.97Å
673S53Low51.4Low62 Ų62126.5 Ų126.543%0.43461%0.612SS.*THydrogen-bonded Turntrans-96.412.4177.3-37.20000114.2R671R671-S673 PolarHBondContact O-N 3.46Å
674S55.1Low50.9Low38 Ų38123.3 Ų123.327%0.26661%0.605SS.*  trans-86.8135-174.170.90000112.9R671 K678R671-S674 WeakPolarHBondContact O-CB 3.29Å; R671-S674 PolarHBondContact O-N 3.45Å; R671-S674 VanDerWaalsContact O-N 3.07Å; R671-S674 PolarHBondContact O-OG 2.95Å; S674-K678 WeakPolarHBondContact CA-O 3.45Å; S674-K678 WeakPolarHBondContact CB-O 3.48Å
675V51.8Low50.4Low111 Ų111120.5 Ų120.567%0.67360%0.597SS**BIsolated β-bridgetrans-101.5128.1170.4-177.30000107.7S677 K678V675-S677 PolarHBondContact O-N 2.68Å; V675-K678 PolarHBondContact N-O 2.75Å; V675-K678 PolarHBondContact O-N 3.35Å; V675-K678 VanDerWaalsContact O-N 3.12Å
676N50.5Low50.2Low150 Ų150119.5 Ų119.580%0.80259%0.591SS**THydrogen-bonded Turntrans51.140.6-176.3-64.8-31.7000114K678N676-K678 PolarHBondContact O-N 3.31Å
677S49.2Very low50.4Low117 Ų117117.6 Ų117.682%0.81858%0.582SS**THydrogen-bonded Turntrans59.823.4-180-51.40000114.9V675V675-S677 PolarHBondContact O-N 2.68Å
678K48.7Very low50.2Low166 Ų166118.8 Ų118.872%0.72259%0.588SS**BIsolated β-bridgetrans-120.1136.1169.9-66.6-177179.4-178.30109.6S674 V675 N676S674-K678 WeakPolarHBondContact CA-O 3.45Å; S674-K678 WeakPolarHBondContact CB-O 3.48Å; V675-K678 PolarHBondContact N-O 2.75Å; V675-K678 PolarHBondContact O-N 3.35Å; V675-K678 VanDerWaalsContact O-N 3.12Å; N676-K678 PolarHBondContact O-N 3.31Å
679F53.8Low49.9Very low92 Ų92116.8 Ų116.840%0.40458%0.584SS.*PPolyproline II helixtrans-99.4126.1173.5-174.6-115.5000108.4G670 L681G670-F679 WeakPolarHBondContact O-CB 3.34Å; G670-F679 WeakPolarHBondContact O-CD2 3.5Å; G670-F679 WeakPolarHBondContact O-CG 3.27Å; F679-L681 HydrophobicContact CD1-CD2 4.24Å; F679-L681 HydrophobicContact CE1-CD2 4.21Å; F679-L681 PolarHBondContact O-N 2.97Å
680E52.7Low49.8Very low107 Ų107112.2 Ų112.250%0.559%0.585SS.*PPolyproline II helixtrans-79.7116.6173.6-70.2-159.7140.400109.8Q683 K686E680-Q683 HydrophobicContact CB-CG 4.42Å; E680-K686 IonicContact OE1-NZ 2.68Å; E680-K686 PolarHBondContact OE1-NZ 2.91Å; E680-K686 IonicContact OE2-NZ 3.99Å; E680-K686 PolarHBondContact OE2-NZ 3.44Å
681L46.3Very low48.8Very low124 Ų124119 Ų11965%0.64962%0.619SS**SBendtrans-76.2150165.4-67.2167.3000109.4F679F679-L681 HydrophobicContact CD1-CD2 4.24Å; F679-L681 HydrophobicContact CE1-CD2 4.21Å; F679-L681 PolarHBondContact O-N 2.97Å
682Y50.4Low47.6Very low173 Ų173118.3 Ų118.368%0.67863%0.628SS**  trans63.844.3175.6-43.9-76.9000115.9H684 L685Y682-H684 PolarHBondContact O-N 3.15Å; Y682-L685 HydrophobicContact CD1-CD1 3.89Å; Y682-L685 HydrophobicContact CG-CD1 4.11Å; Y682-L685 PolarHBondContact O-N 3.28Å
683Q51.9Low46.6Very low95 Ų95121.1 Ų121.144%0.44464%0.637SS.*Hα-helixtrans-52.2-40.1174.9-68.2-179.7-14.800112.5E680 L685 K686E680-Q683 HydrophobicContact CB-CG 4.42Å; Q683-L685 VanDerWaalsContact C-N 3.3Å; Q683-L685 PolarHBondContact O-N 3.27Å; Q683-K686 PolarHBondContact O-N 3.35Å
684H45.3Very low45.6Very low140 Ų140125.7 Ų125.765%0.64865%0.651SS**Hα-helixtrans-64.6-25.7179.4-41.5-55.5000114.3Y682 K686 E687 E688Y682-H684 PolarHBondContact O-N 3.15Å; H684-K686 VanDerWaalsContact C-N 3.26Å; H684-K686 PolarHBondContact O-N 3.18Å; H684-E687 IonicContact ND1-OE2 2.72Å; H684-E687 PolarHBondContact O-N 3.16Å; H684-E687 VanDerWaalsContact O-N 3.14Å; H684-E688 PolarHBondContact O-N 3.39Å
685L43.5Very low44.5Very low97 Ų97131 Ų13151%0.50867%0.672SS.*Hα-helixtrans-73.7-16.1177-100.2118.2000113.4Y682 Q683 N689Y682-L685 HydrophobicContact CD1-CD1 3.89Å; Y682-L685 HydrophobicContact CG-CD1 4.11Å; Y682-L685 PolarHBondContact O-N 3.28Å; Q683-L685 VanDerWaalsContact C-N 3.3Å; Q683-L685 PolarHBondContact O-N 3.27Å; L685-N689 PolarHBondContact O-ND2 3.28Å
686K48Very low43.5Very low125 Ų125133.3 Ų133.354%0.54368%0.68SS.*Hα-helixtrans-79.1-24.5169.1-69-178.3179.8173.80112.1E680 Q683 H684E680-K686 IonicContact OE1-NZ 2.68Å; E680-K686 PolarHBondContact OE1-NZ 2.91Å; E680-K686 IonicContact OE2-NZ 3.99Å; E680-K686 PolarHBondContact OE2-NZ 3.44Å; Q683-K686 PolarHBondContact O-N 3.35Å; H684-K686 VanDerWaalsContact C-N 3.26Å; H684-K686 PolarHBondContact O-N 3.18Å
687E47.9Very low42.5Very low157 Ų157130 Ų13073%0.73468%0.682SS**Hα-helixtrans-79.6-31.6-179.6-63.9178145.200111.9H684H684-E687 IonicContact ND1-OE2 2.72Å; H684-E687 PolarHBondContact O-N 3.16Å; H684-E687 VanDerWaalsContact O-N 3.14Å
688E45.4Very low41.6Very low169 Ų169134.4 Ų134.479%0.7969%0.686SS**Hα-helixtrans-76.1-26.1172.2-82.2-169.6135.400114.1H684 G690H684-E688 PolarHBondContact O-N 3.39Å; E688-G690 PolarHBondContact O-N 2.95Å
689N41.6Very low40.8Very low103 Ų103131.3 Ų131.355%0.55169%0.692SS**SBendtrans-101.873178.8-69.1-72.4000110.7L685 I691L685-N689 PolarHBondContact O-ND2 3.28Å; N689-I691 PolarHBondContact O-N 3.43Å
690G46.1Very low39.7Very low76 Ų76131.5 Ų131.578%0.78471%0.71SS**  trans-58100176.600000112.4E688E688-G690 PolarHBondContact O-N 2.95Å
691I33Very low38.7Very low148 Ų148141.9 Ų141.976%0.75975%0.745SS**  trans-130104.2171.8-60.8-178.7000107.8N689 T693N689-I691 PolarHBondContact O-N 3.43Å; I691-T693 PolarHBondContact O-N 2.64Å
692D31.8Very low38.3Very low158 Ų158142.8 Ų142.885%0.84575%0.75SS**  trans-56.6128.1172.9-85.6-50.8000111.5H694D692-H694 PolarHBondContact O-N 3.02Å
693T33.2Very low37.7Very low136 Ų136141.2 Ų141.283%0.83475%0.753SS**  trans-85.189.2168.252.70000110.5I691I691-T693 PolarHBondContact O-N 2.64Å
694H30.8Very low36.9Very low157 Ų157143.8 Ų143.873%0.72777%0.771SS**  trans-120.7115.9160.3-109.3-84.2000112.1D692D692-H694 PolarHBondContact O-N 3.02Å
695E31.9Very low36.4Very low151 Ų151144 Ų14471%0.70678%0.778SS**  trans46.5124.4147.4-66.2-178.2105.200123
696N31.6Very low36Very low158 Ų158146.9 Ų146.985%0.84580%0.795SS**  trans39.8103132.5-69.2-36.1000119.5
697G28.9Very low35.1Very low80 Ų80148.4 Ų148.483%0.82581%0.811SS**  trans-166.4116.7164.500000115.5
698K30.7Very low34.2Very low211 Ų211147.8 Ų147.892%0.91782%0.817SS**  trans-57.6138.3176-67.4167.6174.5172.10113.8
699A31.1Very low33.4Very low101 Ų101146.2 Ų146.284%0.83582%0.819SS**  trans50.7124.9139.600000120.7
700A30.7Very low32.7Very low96 Ų96149.8 Ų149.879%0.79384%0.841SS**  177.5143.5101.300000113.7
701R32.4Very low31.5Very low325 Ų325156.5 Ų156.5100%1.22685%0.847SS**  trans72.20171.5-67.8-175.2173.6174.1-1117.7

Retrieved 701 of 701 residues in 728.2 ms (Link to these results)

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